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 3o95_1_A DATA FIRST_RESID 40 DATA SEQUENCE RKTYTLTDYL KNTYRLKLYS LRWISDHEYL YKQENNILVF NAEYGNSSVF DATA SEQUENCE LENSTFDEFG HSINDYSISP DGQFILLEYN YVKQWRHSYT ASYDIYDLNK DATA SEQUENCE RQLITEERIP NNTQWVTWSP VGHKLAYVWN NDIYVKIEPN LPSYRITWTG DATA SEQUENCE KEDIIYNGIT DWVYEEEVFS AYSALWWSPN GTFLAYAQFN DTEVPLIEYS DATA SEQUENCE FYSDESLQYP KTVRVPYPKA GAVNPTVKFF VVNTDSLSSV TNATSIQITA DATA SEQUENCE PASMLIGDHY LCDVTWATQE RISLQWLRRI QNYSVMDIcD YDESSGRWNc DATA SEQUENCE LVARQHIEMS TTGWVGRFRP SEPHFTLDGN SFYKIISNEE GYRHIcYFQI DATA SEQUENCE DKKDcTFITK GTWEVIGIEA LTSDYLYYIS NEYKGMPGGR NLYKIQLSDY DATA SEQUENCE TKVTCLSCEL NPERcQYYSV SFSKEAKYYQ LRcSGPGLPL YTLHSSVNDK DATA SEQUENCE GLRVLEDNSA LDKMLQNVQM PSKKLDFIIL NETKFWYQMI LPPHFDKSKK DATA SEQUENCE YPLLLDVYAG PCSQKADTVF RLNWATYLAS TENIIVASFD GRGSGYQGDK DATA SEQUENCE IMHAINRRLG TFEVEDQIEA ARQFSKMGFV DNKRIAIWGW SYGGYVTSMV DATA SEQUENCE LGSGSGVFKc GIAVAPVSRW EYYDSVYTER YMGLPTPEDN LDHYRNSTVM DATA SEQUENCE SRAENFKQVE YLLIHGTADD NVHFQQSAQI SKALVDVGVD FQAMWYTDED DATA SEQUENCE HGIASSTAHQ HIYTHMSHFI KQcFSLP 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 40 R HA 0.000 nan 4.340 nan 0.000 0.208 40 R C 0.000 176.356 176.300 0.093 0.000 0.893 40 R CA 0.000 56.151 56.100 0.085 0.000 0.921 40 R CB 0.000 30.337 30.300 0.061 0.000 0.687 41 K N 1.783 122.244 120.400 0.102 0.000 2.098 41 K HA 0.368 4.697 4.320 0.014 0.000 0.257 41 K C -0.201 176.480 176.600 0.136 0.000 0.999 41 K CA 0.002 56.359 56.287 0.116 0.000 0.924 41 K CB 1.555 34.131 32.500 0.127 0.000 1.028 41 K HN 0.102 nan 8.250 nan 0.000 0.466 42 T N -1.708 112.936 114.554 0.150 0.000 2.948 42 T HA 0.192 4.550 4.350 0.014 0.000 0.285 42 T C -0.640 174.207 174.700 0.244 0.000 1.019 42 T CA -0.799 61.407 62.100 0.177 0.000 1.013 42 T CB 0.626 69.590 68.868 0.158 0.000 1.117 42 T HN 0.524 nan 8.240 nan 0.000 0.533 43 Y N 2.831 123.216 120.300 0.141 0.000 2.624 43 Y HA 0.354 4.911 4.550 0.011 0.000 0.354 43 Y C 0.983 177.059 175.900 0.292 0.000 1.051 43 Y CA -0.269 57.956 58.100 0.209 0.000 1.377 43 Y CB -0.389 38.150 38.460 0.132 0.000 1.168 43 Y HN 0.993 nan 8.280 nan 0.000 0.525 44 T N 2.140 116.698 114.554 0.007 0.000 2.824 44 T HA 0.122 4.480 4.350 0.014 0.000 0.277 44 T C 1.010 175.617 174.700 -0.155 0.000 0.975 44 T CA -0.703 61.444 62.100 0.077 0.000 0.966 44 T CB 1.177 70.062 68.868 0.028 0.000 1.054 44 T HN 0.669 nan 8.240 nan 0.000 0.533 45 L N 0.970 121.936 121.223 -0.429 0.000 2.046 45 L HA 0.004 4.353 4.340 0.014 0.000 0.208 45 L C 2.645 179.373 176.870 -0.238 0.000 1.077 45 L CA 2.169 56.649 54.840 -0.600 0.000 0.747 45 L CB -1.437 40.137 42.059 -0.808 0.000 0.896 45 L HN 0.971 nan 8.230 nan 0.000 0.432 46 T N -0.860 113.581 114.554 -0.189 0.000 2.746 46 T HA -0.172 4.187 4.350 0.014 0.000 0.267 46 T C 1.514 176.121 174.700 -0.155 0.000 1.039 46 T CA 1.406 63.424 62.100 -0.135 0.000 1.142 46 T CB -0.457 68.355 68.868 -0.094 0.000 0.866 46 T HN 0.367 nan 8.240 nan 0.000 0.444 47 D N 0.248 120.523 120.400 -0.208 0.000 2.104 47 D HA -0.108 4.541 4.640 0.014 0.000 0.194 47 D C 1.763 177.931 176.300 -0.220 0.000 0.994 47 D CA 1.153 54.986 54.000 -0.279 0.000 0.830 47 D CB -0.478 40.060 40.800 -0.438 0.000 0.959 47 D HN 0.434 nan 8.370 nan 0.000 0.452 48 Y N 1.327 121.400 120.300 -0.378 0.000 2.114 48 Y HA -0.119 4.439 4.550 0.013 0.000 0.284 48 Y C 2.204 178.103 175.900 -0.002 0.000 1.143 48 Y CA 1.309 59.376 58.100 -0.055 0.000 1.135 48 Y CB -0.636 37.864 38.460 0.068 0.000 0.980 48 Y HN -0.080 nan 8.280 nan 0.000 0.499 49 L N -0.265 120.765 121.223 -0.323 0.000 2.109 49 L HA -0.138 4.210 4.340 0.014 0.000 0.207 49 L C 1.996 178.749 176.870 -0.194 0.000 1.086 49 L CA 1.533 56.165 54.840 -0.346 0.000 0.760 49 L CB -0.366 41.580 42.059 -0.189 0.000 0.910 49 L HN 0.014 nan 8.230 nan 0.000 0.437 50 K N -0.026 120.288 120.400 -0.142 0.000 2.404 50 K HA 0.074 4.402 4.320 0.014 0.000 0.194 50 K C 0.020 176.565 176.600 -0.092 0.000 1.023 50 K CA 0.024 56.249 56.287 -0.103 0.000 1.094 50 K CB 0.033 32.479 32.500 -0.089 0.000 0.841 50 K HN 0.116 nan 8.250 nan 0.000 0.523 51 N N -0.647 118.004 118.700 -0.082 0.000 2.758 51 N HA -0.193 4.555 4.740 0.014 0.000 0.248 51 N C 0.056 175.542 175.510 -0.041 0.000 1.076 51 N CA 0.748 53.785 53.050 -0.020 0.000 0.696 51 N CB -1.083 37.390 38.487 -0.024 0.000 0.979 51 N HN 0.142 nan 8.380 nan 0.000 0.550 52 T N -0.988 113.488 114.554 -0.129 0.000 2.684 52 T HA -0.199 4.160 4.350 0.014 0.000 0.267 52 T C 0.390 174.875 174.700 -0.357 0.000 1.036 52 T CA 1.517 63.413 62.100 -0.339 0.000 1.148 52 T CB -0.162 68.335 68.868 -0.617 0.000 0.863 52 T HN 0.357 nan 8.240 nan 0.000 0.436 53 Y N 1.456 121.849 120.300 0.155 0.000 2.491 53 Y HA 0.513 5.072 4.550 0.015 0.000 0.334 53 Y C 0.431 176.438 175.900 0.179 0.000 0.969 53 Y CA -1.094 57.117 58.100 0.185 0.000 1.241 53 Y CB 0.441 39.066 38.460 0.275 0.000 1.105 53 Y HN -0.105 nan 8.280 nan 0.000 0.503 54 R N 3.028 123.671 120.500 0.240 0.000 2.349 54 R HA 0.512 4.861 4.340 0.014 0.000 0.299 54 R C -0.894 175.521 176.300 0.191 0.000 1.027 54 R CA -0.668 55.541 56.100 0.182 0.000 0.958 54 R CB 0.747 31.111 30.300 0.108 0.000 1.047 54 R HN 0.673 nan 8.270 nan 0.000 0.468 55 L N 4.008 125.344 121.223 0.189 0.000 2.361 55 L HA 0.215 4.563 4.340 0.014 0.000 0.278 55 L C 0.239 177.194 176.870 0.142 0.000 1.113 55 L CA -0.260 54.692 54.840 0.187 0.000 0.849 55 L CB 0.656 42.843 42.059 0.213 0.000 1.155 55 L HN 0.337 nan 8.230 nan 0.000 0.452 56 K N 3.527 124.004 120.400 0.128 0.000 2.297 56 K HA 0.376 4.705 4.320 0.014 0.000 0.286 56 K C -0.681 175.938 176.600 0.033 0.000 1.053 56 K CA -0.320 56.014 56.287 0.078 0.000 0.940 56 K CB 0.495 33.040 32.500 0.074 0.000 1.019 56 K HN 0.263 nan 8.250 nan 0.000 0.475 57 L N 3.993 125.188 121.223 -0.048 0.000 2.387 57 L HA 0.332 4.681 4.340 0.014 0.000 0.266 57 L C -0.279 176.345 176.870 -0.410 0.000 1.059 57 L CA -0.439 54.263 54.840 -0.230 0.000 0.801 57 L CB 0.334 42.358 42.059 -0.057 0.000 1.223 57 L HN 0.647 nan 8.230 nan 0.000 0.456 58 Y N 0.402 120.117 120.300 -0.974 0.000 2.638 58 Y HA 0.242 4.800 4.550 0.013 0.000 0.367 58 Y C 0.599 176.352 175.900 -0.245 0.000 1.001 58 Y CA -0.300 57.454 58.100 -0.576 0.000 1.133 58 Y CB 0.930 38.928 38.460 -0.769 0.000 1.199 58 Y HN 0.634 nan 8.280 nan 0.000 0.642 59 S N 4.263 119.931 115.700 -0.052 0.000 2.437 59 S HA 0.359 4.837 4.470 0.014 0.000 0.304 59 S C -0.458 174.179 174.600 0.062 0.000 1.167 59 S CA -0.540 57.678 58.200 0.030 0.000 1.106 59 S CB -1.059 62.160 63.200 0.033 0.000 1.099 59 S HN 0.566 nan 8.310 nan 0.000 0.524 60 L N 4.185 125.407 121.223 -0.002 0.000 2.334 60 L HA 0.850 5.199 4.340 0.014 0.000 0.270 60 L C -0.318 176.499 176.870 -0.088 0.000 1.018 60 L CA -0.785 54.015 54.840 -0.067 0.000 0.811 60 L CB 1.365 43.133 42.059 -0.486 0.000 1.271 60 L HN 0.533 nan 8.230 nan 0.000 0.443 61 R N 0.990 121.475 120.500 -0.025 0.000 2.532 61 R HA 0.482 4.831 4.340 0.014 0.000 0.297 61 R C -1.757 174.573 176.300 0.049 0.000 0.984 61 R CA -0.608 55.507 56.100 0.026 0.000 0.884 61 R CB 0.647 31.011 30.300 0.106 0.000 1.182 61 R HN 0.722 nan 8.270 nan 0.000 0.442 62 W N 2.439 123.851 121.300 0.188 0.000 2.150 62 W HA 0.204 4.873 4.660 0.015 0.000 0.341 62 W C 0.917 177.515 176.519 0.132 0.000 1.276 62 W CA -0.404 57.057 57.345 0.192 0.000 1.238 62 W CB 0.435 30.004 29.460 0.182 0.000 1.128 62 W HN 0.532 nan 8.180 nan 0.000 0.581 63 I N 0.783 121.573 120.570 0.367 0.000 3.971 63 I HA 0.006 4.185 4.170 0.014 0.000 0.303 63 I C 0.975 177.183 176.117 0.152 0.000 1.233 63 I CA 0.696 62.097 61.300 0.167 0.000 1.346 63 I CB -0.169 37.847 38.000 0.026 0.000 1.273 63 I HN 0.379 nan 8.210 nan 0.000 0.448 64 S N -1.596 114.219 115.700 0.192 0.000 3.132 64 S HA 0.326 4.804 4.470 0.014 0.000 0.322 64 S C 0.500 175.219 174.600 0.198 0.000 1.124 64 S CA -0.334 57.954 58.200 0.146 0.000 0.906 64 S CB 0.742 63.968 63.200 0.044 0.000 1.349 64 S HN 0.014 nan 8.310 nan 0.000 0.686 65 D N 0.114 120.651 120.400 0.228 0.000 2.347 65 D HA 0.031 4.680 4.640 0.014 0.000 0.213 65 D C 1.089 177.632 176.300 0.405 0.000 0.985 65 D CA 1.142 55.281 54.000 0.231 0.000 0.879 65 D CB -0.000 40.932 40.800 0.220 0.000 0.919 65 D HN 0.710 nan 8.370 nan 0.000 0.526 66 H N -2.331 116.912 119.070 0.289 0.000 3.480 66 H HA 0.388 4.953 4.556 0.014 0.000 0.257 66 H C -0.506 174.983 175.328 0.268 0.000 1.196 66 H CA -0.349 55.884 56.048 0.308 0.000 1.100 66 H CB -0.247 29.693 29.762 0.296 0.000 1.683 66 H HN -0.011 nan 8.280 nan 0.000 0.702 67 E N 1.115 121.368 120.200 0.089 0.000 2.256 67 E HA 0.459 4.818 4.350 0.014 0.000 0.267 67 E C -1.484 175.280 176.600 0.274 0.000 0.892 67 E CA -1.183 55.242 56.400 0.043 0.000 0.775 67 E CB 2.713 32.323 29.700 -0.150 0.000 1.207 67 E HN 0.329 nan 8.360 nan 0.000 0.420 68 Y N -0.251 120.072 120.300 0.040 0.000 2.588 68 Y HA 0.621 5.179 4.550 0.014 0.000 0.343 68 Y C -1.773 174.120 175.900 -0.012 0.000 1.065 68 Y CA -1.356 56.686 58.100 -0.096 0.000 1.038 68 Y CB 0.918 39.017 38.460 -0.603 0.000 1.297 68 Y HN 0.357 nan 8.280 nan 0.000 0.467 69 L N 3.490 124.847 121.223 0.224 0.000 2.309 69 L HA 0.460 4.809 4.340 0.014 0.000 0.282 69 L C -1.249 175.856 176.870 0.392 0.000 1.036 69 L CA -0.890 54.069 54.840 0.199 0.000 0.806 69 L CB 1.416 43.556 42.059 0.134 0.000 1.220 69 L HN 0.775 nan 8.230 nan 0.000 0.429 70 Y N 2.291 122.713 120.300 0.203 0.000 2.545 70 Y HA 0.280 4.839 4.550 0.014 0.000 0.348 70 Y C -0.084 175.853 175.900 0.060 0.000 1.002 70 Y CA -1.275 56.907 58.100 0.137 0.000 1.039 70 Y CB 1.872 40.465 38.460 0.222 0.000 1.271 70 Y HN 0.417 nan 8.280 nan 0.000 0.467 71 K N 3.682 123.628 120.400 -0.757 0.000 3.101 71 K HA 0.136 4.465 4.320 0.014 0.000 0.229 71 K C -0.377 175.843 176.600 -0.634 0.000 1.232 71 K CA -0.160 55.802 56.287 -0.542 0.000 1.210 71 K CB 0.099 32.391 32.500 -0.346 0.000 1.284 71 K HN 0.714 nan 8.250 nan 0.000 0.448 72 Q N 2.744 122.240 119.800 -0.508 0.000 2.301 72 Q HA -0.046 4.303 4.340 0.014 0.000 0.262 72 Q C -0.808 175.138 176.000 -0.089 0.000 1.168 72 Q CA 0.765 56.478 55.803 -0.151 0.000 0.908 72 Q CB 0.255 29.133 28.738 0.234 0.000 1.348 72 Q HN 0.392 nan 8.270 nan 0.000 0.441 73 E N 1.820 121.959 120.200 -0.102 0.000 4.730 73 E HA -0.195 4.164 4.350 0.014 0.000 0.378 73 E C -0.061 176.481 176.600 -0.097 0.000 1.306 73 E CA 0.537 56.891 56.400 -0.076 0.000 2.421 73 E CB -1.162 28.505 29.700 -0.055 0.000 1.701 73 E HN 0.841 nan 8.360 nan 0.000 0.475 74 N N 1.108 119.761 118.700 -0.079 0.000 2.409 74 N HA -0.039 4.710 4.740 0.014 0.000 0.179 74 N C 0.452 175.901 175.510 -0.101 0.000 1.032 74 N CA 0.496 53.498 53.050 -0.080 0.000 0.898 74 N CB -0.299 38.151 38.487 -0.061 0.000 0.971 74 N HN 0.229 nan 8.380 nan 0.000 0.441 75 N N 1.135 119.774 118.700 -0.102 0.000 2.273 75 N HA 0.099 4.847 4.740 0.014 0.000 0.227 75 N C -0.253 175.177 175.510 -0.132 0.000 1.292 75 N CA 0.477 53.462 53.050 -0.109 0.000 0.875 75 N CB 0.782 39.217 38.487 -0.088 0.000 1.105 75 N HN 0.115 nan 8.380 nan 0.000 0.434 76 I N 1.323 121.823 120.570 -0.116 0.000 2.468 76 I HA 0.229 4.407 4.170 0.014 0.000 0.285 76 I C -1.116 174.989 176.117 -0.020 0.000 1.039 76 I CA -0.711 60.524 61.300 -0.108 0.000 1.074 76 I CB 1.191 39.071 38.000 -0.200 0.000 1.228 76 I HN 0.053 nan 8.210 nan 0.000 0.436 77 L N 6.638 127.847 121.223 -0.023 0.000 2.334 77 L HA 0.542 4.891 4.340 0.014 0.000 0.276 77 L C -0.045 176.760 176.870 -0.108 0.000 1.014 77 L CA -1.049 53.731 54.840 -0.100 0.000 0.815 77 L CB 1.697 43.578 42.059 -0.297 0.000 1.268 77 L HN 0.241 nan 8.230 nan 0.000 0.428 78 V N 0.042 119.866 119.914 -0.150 0.000 2.368 78 V HA 0.392 4.521 4.120 0.014 0.000 0.266 78 V C 0.061 175.967 176.094 -0.313 0.000 1.045 78 V CA -0.540 61.639 62.300 -0.201 0.000 0.899 78 V CB -0.285 31.449 31.823 -0.148 0.000 1.006 78 V HN 0.384 nan 8.190 nan 0.000 0.470 79 F N 3.041 122.710 119.950 -0.468 0.000 2.380 79 F HA 0.427 4.963 4.527 0.015 0.000 0.325 79 F C 0.915 176.449 175.800 -0.445 0.000 1.136 79 F CA -0.002 57.674 58.000 -0.541 0.000 1.171 79 F CB 1.006 39.407 39.000 -0.999 0.000 1.230 79 F HN 0.503 nan 8.300 nan 0.000 0.554 80 N N 0.945 119.637 118.700 -0.013 0.000 2.400 80 N HA 0.357 5.106 4.740 0.014 0.000 0.288 80 N C 0.265 175.769 175.510 -0.009 0.000 1.024 80 N CA -0.042 53.023 53.050 0.024 0.000 0.894 80 N CB 1.908 40.502 38.487 0.177 0.000 1.173 80 N HN 0.708 nan 8.380 nan 0.000 0.487 81 A N 3.376 126.131 122.820 -0.109 0.000 1.968 81 A HA -0.048 4.281 4.320 0.014 0.000 0.217 81 A C 1.596 178.940 177.584 -0.400 0.000 1.169 81 A CA 0.994 52.843 52.037 -0.314 0.000 0.638 81 A CB -0.162 18.343 19.000 -0.826 0.000 0.812 81 A HN 0.725 nan 8.150 nan 0.000 0.446 82 E N -1.280 118.656 120.200 -0.440 0.000 2.204 82 E HA -0.165 4.193 4.350 0.014 0.000 0.195 82 E C 0.766 176.878 176.600 -0.814 0.000 0.990 82 E CA 1.383 57.367 56.400 -0.695 0.000 0.821 82 E CB -0.146 28.892 29.700 -1.105 0.000 0.750 82 E HN 0.897 nan 8.360 nan 0.000 0.477 83 Y N -2.661 117.650 120.300 0.018 0.000 2.460 83 Y HA 0.309 4.867 4.550 0.014 0.000 0.276 83 Y C 1.675 177.593 175.900 0.029 0.000 1.119 83 Y CA 0.169 58.283 58.100 0.023 0.000 1.181 83 Y CB 0.552 39.028 38.460 0.028 0.000 1.304 83 Y HN 0.048 nan 8.280 nan 0.000 0.536 84 G N 1.101 110.007 108.800 0.176 0.000 2.217 84 G HA2 -0.333 3.636 3.960 0.014 0.000 0.246 84 G HA3 -0.333 3.636 3.960 0.014 0.000 0.246 84 G C 0.012 175.072 174.900 0.266 0.000 0.990 84 G CA 0.132 45.352 45.100 0.199 0.000 0.627 84 G HN 0.489 nan 8.290 nan 0.000 0.522 85 N N 1.188 120.004 118.700 0.192 0.000 2.416 85 N HA 0.520 5.269 4.740 0.014 0.000 0.246 85 N C 0.252 175.747 175.510 -0.024 0.000 1.260 85 N CA 0.778 53.875 53.050 0.078 0.000 0.897 85 N CB 1.213 39.726 38.487 0.044 0.000 1.110 85 N HN 1.089 nan 8.380 nan 0.000 0.439 86 S N -0.999 114.591 115.700 -0.183 0.000 2.840 86 S HA 0.852 5.330 4.470 0.014 0.000 0.307 86 S C -1.096 173.364 174.600 -0.234 0.000 1.180 86 S CA -0.779 57.207 58.200 -0.356 0.000 0.846 86 S CB 0.951 63.586 63.200 -0.941 0.000 1.233 86 S HN 1.181 nan 8.310 nan 0.000 0.548 87 S N -0.525 115.036 115.700 -0.232 0.000 2.563 87 S HA 0.470 4.949 4.470 0.014 0.000 0.279 87 S C -0.995 173.538 174.600 -0.111 0.000 1.155 87 S CA -0.897 57.220 58.200 -0.137 0.000 0.928 87 S CB 0.616 63.770 63.200 -0.077 0.000 1.107 87 S HN 1.047 nan 8.310 nan 0.000 0.462 88 V N 4.215 124.068 119.914 -0.101 0.000 2.452 88 V HA 0.054 4.183 4.120 0.014 0.000 0.286 88 V C 1.039 177.118 176.094 -0.025 0.000 0.995 88 V CA 0.318 62.573 62.300 -0.075 0.000 1.116 88 V CB -1.127 30.640 31.823 -0.094 0.000 0.954 88 V HN 0.939 nan 8.190 nan 0.000 0.473 89 F N 5.395 125.267 119.950 -0.129 0.000 2.335 89 F HA 0.312 4.848 4.527 0.014 0.000 0.296 89 F C 0.650 176.393 175.800 -0.095 0.000 1.091 89 F CA 0.710 58.651 58.000 -0.099 0.000 1.399 89 F CB 0.536 39.486 39.000 -0.083 0.000 1.067 89 F HN 0.393 nan 8.300 nan 0.000 0.520 90 L N 1.172 122.351 121.223 -0.074 0.000 2.611 90 L HA 0.276 4.625 4.340 0.014 0.000 0.263 90 L C -1.031 175.734 176.870 -0.175 0.000 0.969 90 L CA -0.567 54.168 54.840 -0.176 0.000 0.894 90 L CB 1.129 43.157 42.059 -0.051 0.000 1.229 90 L HN -0.099 nan 8.230 nan 0.000 0.416 91 E N 2.090 122.150 120.200 -0.233 0.000 2.366 91 E HA 0.095 4.453 4.350 0.014 0.000 0.266 91 E C 1.194 177.661 176.600 -0.223 0.000 1.015 91 E CA 0.735 57.011 56.400 -0.207 0.000 0.906 91 E CB 0.741 30.316 29.700 -0.208 0.000 0.979 91 E HN 0.659 nan 8.360 nan 0.000 0.443 92 N N 2.382 120.989 118.700 -0.155 0.000 2.100 92 N HA -0.337 4.412 4.740 0.014 0.000 0.199 92 N C 0.224 175.650 175.510 -0.140 0.000 1.017 92 N CA 1.990 54.966 53.050 -0.123 0.000 0.890 92 N CB -0.583 37.849 38.487 -0.091 0.000 1.080 92 N HN 0.346 nan 8.380 nan 0.000 0.525 93 S N -2.331 113.282 115.700 -0.146 0.000 3.729 93 S HA 0.292 4.770 4.470 0.014 0.000 0.235 93 S C 0.444 174.904 174.600 -0.234 0.000 1.367 93 S CA -0.284 57.828 58.200 -0.147 0.000 0.907 93 S CB 0.750 63.890 63.200 -0.099 0.000 1.471 93 S HN 0.532 nan 8.310 nan 0.000 0.476 94 T N 0.372 114.688 114.554 -0.396 0.000 3.028 94 T HA 0.293 4.651 4.350 0.014 0.000 0.250 94 T C -0.010 174.323 174.700 -0.611 0.000 0.979 94 T CA -0.029 61.712 62.100 -0.598 0.000 1.004 94 T CB -0.130 68.179 68.868 -0.931 0.000 1.120 94 T HN 0.455 nan 8.240 nan 0.000 0.482 95 F N 2.266 122.107 119.950 -0.181 0.000 2.713 95 F HA 0.392 4.927 4.527 0.014 0.000 0.294 95 F C 1.404 177.188 175.800 -0.027 0.000 1.152 95 F CA -1.014 56.904 58.000 -0.136 0.000 1.385 95 F CB -0.492 38.355 39.000 -0.254 0.000 0.981 95 F HN 0.239 nan 8.300 nan 0.000 0.514 96 D N 1.009 121.435 120.400 0.044 0.000 2.092 96 D HA -0.203 4.445 4.640 0.014 0.000 0.193 96 D C 1.968 178.306 176.300 0.064 0.000 0.994 96 D CA 1.824 55.846 54.000 0.035 0.000 0.828 96 D CB 0.217 41.004 40.800 -0.022 0.000 0.963 96 D HN 0.143 nan 8.370 nan 0.000 0.450 97 E N -0.235 120.001 120.200 0.061 0.000 2.171 97 E HA -0.236 4.122 4.350 0.014 0.000 0.197 97 E C 2.116 178.777 176.600 0.102 0.000 0.997 97 E CA 0.542 56.981 56.400 0.064 0.000 0.810 97 E CB -0.688 29.053 29.700 0.068 0.000 0.738 97 E HN 0.518 nan 8.360 nan 0.000 0.467 98 F N 1.067 121.021 119.950 0.007 0.000 2.147 98 F HA -0.236 4.300 4.527 0.014 0.000 0.301 98 F C 1.692 177.402 175.800 -0.150 0.000 1.084 98 F CA 1.844 59.833 58.000 -0.019 0.000 1.268 98 F CB -0.027 38.972 39.000 -0.001 0.000 1.009 98 F HN 0.248 nan 8.300 nan 0.000 0.486 99 G N -0.325 108.373 108.800 -0.169 0.000 2.148 99 G HA2 -0.313 3.655 3.960 0.014 0.000 0.254 99 G HA3 -0.313 3.655 3.960 0.014 0.000 0.254 99 G C -0.232 174.312 174.900 -0.593 0.000 0.981 99 G CA 0.417 45.286 45.100 -0.384 0.000 0.670 99 G HN 0.639 nan 8.290 nan 0.000 0.528 100 H N -0.614 118.382 119.070 -0.125 0.000 2.834 100 H HA 0.701 5.265 4.556 0.014 0.000 0.369 100 H C -0.271 175.123 175.328 0.110 0.000 1.174 100 H CA -0.327 55.699 56.048 -0.037 0.000 1.165 100 H CB 1.622 31.267 29.762 -0.196 0.000 1.820 100 H HN 0.124 nan 8.280 nan 0.000 0.558 101 S N 2.001 117.853 115.700 0.253 0.000 2.439 101 S HA 0.194 4.673 4.470 0.014 0.000 0.282 101 S C 0.044 174.760 174.600 0.192 0.000 1.170 101 S CA -0.658 57.648 58.200 0.177 0.000 1.054 101 S CB -0.001 63.275 63.200 0.125 0.000 0.956 101 S HN 0.301 nan 8.310 nan 0.000 0.490 102 I N 4.205 124.856 120.570 0.134 0.000 2.347 102 I HA 0.102 4.281 4.170 0.014 0.000 0.294 102 I C 1.421 177.582 176.117 0.073 0.000 1.090 102 I CA -0.113 61.241 61.300 0.090 0.000 1.314 102 I CB -0.416 37.590 38.000 0.009 0.000 1.423 102 I HN 0.614 nan 8.210 nan 0.000 0.503 103 N N 4.649 123.394 118.700 0.075 0.000 2.106 103 N HA -0.100 4.649 4.740 0.014 0.000 0.188 103 N C 0.331 175.846 175.510 0.009 0.000 1.029 103 N CA 1.533 54.585 53.050 0.002 0.000 0.848 103 N CB 0.418 38.888 38.487 -0.028 0.000 1.007 103 N HN 0.645 nan 8.380 nan 0.000 0.423 104 D N -2.989 117.450 120.400 0.065 0.000 2.643 104 D HA 0.195 4.843 4.640 0.014 0.000 0.283 104 D C -1.463 174.946 176.300 0.181 0.000 1.242 104 D CA -0.501 53.560 54.000 0.101 0.000 0.863 104 D CB 1.129 41.945 40.800 0.027 0.000 1.382 104 D HN 0.095 nan 8.370 nan 0.000 0.444 105 Y N -1.195 119.144 120.300 0.065 0.000 2.665 105 Y HA 0.764 5.322 4.550 0.014 0.000 0.336 105 Y C -0.985 175.003 175.900 0.145 0.000 1.085 105 Y CA -1.053 57.097 58.100 0.085 0.000 1.096 105 Y CB 1.645 40.151 38.460 0.076 0.000 1.301 105 Y HN 0.149 nan 8.280 nan 0.000 0.493 106 S N 2.140 117.987 115.700 0.244 0.000 2.550 106 S HA 0.491 4.970 4.470 0.014 0.000 0.274 106 S C -1.825 173.053 174.600 0.463 0.000 1.110 106 S CA -0.753 57.594 58.200 0.246 0.000 1.013 106 S CB 0.053 63.401 63.200 0.247 0.000 1.152 106 S HN 0.667 nan 8.310 nan 0.000 0.450 107 I N 4.658 125.407 120.570 0.298 0.000 2.441 107 I HA 0.277 4.456 4.170 0.014 0.000 0.287 107 I C 1.276 177.213 176.117 -0.299 0.000 1.049 107 I CA -0.253 61.118 61.300 0.118 0.000 1.381 107 I CB 0.865 38.918 38.000 0.088 0.000 1.409 107 I HN 0.833 nan 8.210 nan 0.000 0.523 108 S N 6.603 121.772 115.700 -0.885 0.000 2.560 108 S HA 0.135 4.614 4.470 0.014 0.000 0.284 108 S C -1.716 172.586 174.600 -0.497 0.000 1.327 108 S CA -0.770 56.600 58.200 -1.382 0.000 1.055 108 S CB 0.600 62.909 63.200 -1.485 0.000 0.868 108 S HN 0.438 nan 8.310 nan 0.000 0.506 109 P HA -0.199 nan 4.420 nan 0.000 0.216 109 P C 0.988 178.230 177.300 -0.096 0.000 1.157 109 P CA 1.768 64.785 63.100 -0.138 0.000 0.880 109 P CB -0.176 31.463 31.700 -0.103 0.000 0.791 110 D N -1.588 118.753 120.400 -0.098 0.000 2.392 110 D HA -0.012 4.637 4.640 0.014 0.000 0.228 110 D C 1.375 177.661 176.300 -0.023 0.000 1.003 110 D CA 0.968 54.948 54.000 -0.033 0.000 0.917 110 D CB -1.325 39.483 40.800 0.013 0.000 0.890 110 D HN 0.276 nan 8.370 nan 0.000 0.532 111 G N 0.363 109.131 108.800 -0.053 0.000 2.166 111 G HA2 -0.408 3.560 3.960 0.014 0.000 0.260 111 G HA3 -0.408 3.560 3.960 0.014 0.000 0.260 111 G C 0.915 175.815 174.900 -0.000 0.000 0.986 111 G CA 0.663 45.769 45.100 0.009 0.000 0.683 111 G HN 0.490 nan 8.290 nan 0.000 0.527 112 Q N -1.680 118.059 119.800 -0.102 0.000 2.302 112 Q HA 0.351 4.699 4.340 0.014 0.000 0.202 112 Q C 0.187 175.796 176.000 -0.651 0.000 0.936 112 Q CA 0.635 56.231 55.803 -0.345 0.000 0.886 112 Q CB 0.432 28.964 28.738 -0.344 0.000 0.986 112 Q HN 0.567 nan 8.270 nan 0.000 0.487 113 F N -0.226 119.646 119.950 -0.129 0.000 2.565 113 F HA 0.458 4.994 4.527 0.014 0.000 0.313 113 F C -0.598 175.256 175.800 0.090 0.000 1.091 113 F CA -1.176 56.804 58.000 -0.033 0.000 0.915 113 F CB 1.782 40.765 39.000 -0.029 0.000 1.208 113 F HN -0.175 nan 8.300 nan 0.000 0.453 114 I N 4.132 124.975 120.570 0.455 0.000 2.406 114 I HA 0.506 4.685 4.170 0.014 0.000 0.290 114 I C -1.556 174.831 176.117 0.450 0.000 0.999 114 I CA -1.016 60.559 61.300 0.459 0.000 1.124 114 I CB 1.164 39.414 38.000 0.417 0.000 1.289 114 I HN 0.560 nan 8.210 nan 0.000 0.441 115 L N 8.548 130.069 121.223 0.496 0.000 2.281 115 L HA 0.470 4.819 4.340 0.014 0.000 0.285 115 L C -1.293 175.684 176.870 0.178 0.000 1.074 115 L CA 0.080 55.098 54.840 0.296 0.000 0.817 115 L CB 0.838 42.998 42.059 0.169 0.000 1.168 115 L HN 0.539 nan 8.230 nan 0.000 0.434 116 L N 5.341 126.601 121.223 0.063 0.000 2.275 116 L HA 0.461 4.810 4.340 0.014 0.000 0.288 116 L C 0.005 176.971 176.870 0.161 0.000 1.046 116 L CA -0.343 54.474 54.840 -0.039 0.000 0.805 116 L CB 1.402 43.191 42.059 -0.451 0.000 1.193 116 L HN 0.667 nan 8.230 nan 0.000 0.426 117 E N 4.360 124.659 120.200 0.164 0.000 2.113 117 E HA 0.382 4.741 4.350 0.014 0.000 0.273 117 E C -1.552 175.108 176.600 0.100 0.000 0.924 117 E CA -0.535 55.902 56.400 0.061 0.000 0.764 117 E CB 1.026 30.848 29.700 0.204 0.000 1.104 117 E HN 0.441 nan 8.360 nan 0.000 0.406 118 Y N 1.835 122.011 120.300 -0.207 0.000 2.790 118 Y HA 0.482 5.041 4.550 0.014 0.000 0.323 118 Y C -0.016 175.808 175.900 -0.127 0.000 1.230 118 Y CA -1.834 56.215 58.100 -0.084 0.000 1.121 118 Y CB 0.291 38.769 38.460 0.030 0.000 1.328 118 Y HN 0.488 nan 8.280 nan 0.000 0.514 119 N N -0.541 118.124 118.700 -0.058 0.000 2.727 119 N HA -0.299 4.450 4.740 0.014 0.000 0.249 119 N C -1.107 174.347 175.510 -0.094 0.000 1.048 119 N CA 0.937 53.907 53.050 -0.134 0.000 0.714 119 N CB -1.675 36.605 38.487 -0.345 0.000 0.959 119 N HN 0.842 nan 8.380 nan 0.000 0.544 120 Y N 0.292 120.523 120.300 -0.115 0.000 2.650 120 Y HA 0.250 4.809 4.550 0.015 0.000 0.331 120 Y C 0.096 175.963 175.900 -0.056 0.000 1.165 120 Y CA 0.016 58.052 58.100 -0.107 0.000 1.473 120 Y CB 0.654 39.013 38.460 -0.169 0.000 1.224 120 Y HN 0.010 nan 8.280 nan 0.000 0.533 121 V N 7.994 127.568 119.914 -0.566 0.000 2.380 121 V HA 0.200 4.329 4.120 0.014 0.000 0.286 121 V C -0.144 175.565 176.094 -0.642 0.000 1.015 121 V CA -1.452 60.592 62.300 -0.425 0.000 0.834 121 V CB 1.157 32.852 31.823 -0.213 0.000 1.009 121 V HN 0.710 nan 8.190 nan 0.000 0.428 122 K N 3.583 123.636 120.400 -0.579 0.000 2.355 122 K HA 0.200 4.528 4.320 0.014 0.000 0.270 122 K C 0.226 176.674 176.600 -0.254 0.000 1.003 122 K CA 0.252 56.346 56.287 -0.322 0.000 0.957 122 K CB 1.378 33.914 32.500 0.060 0.000 0.939 122 K HN 0.842 nan 8.250 nan 0.000 0.482 123 Q N 2.737 122.370 119.800 -0.277 0.000 2.965 123 Q HA 0.201 4.549 4.340 0.014 0.000 0.217 123 Q C -0.181 175.586 176.000 -0.388 0.000 1.113 123 Q CA -0.388 55.063 55.803 -0.586 0.000 0.373 123 Q CB 0.154 28.384 28.738 -0.846 0.000 5.238 123 Q HN 0.692 nan 8.270 nan 0.000 0.337 124 W N 0.394 121.709 121.300 0.024 0.000 1.940 124 W HA 0.400 5.069 4.660 0.014 0.000 0.516 124 W C 1.702 178.215 176.519 -0.010 0.000 2.058 124 W CA -0.735 56.648 57.345 0.064 0.000 2.332 124 W CB -0.032 29.439 29.460 0.019 0.000 1.870 124 W HN 0.379 nan 8.180 nan 0.000 0.766 125 R N -0.521 120.084 120.500 0.174 0.000 2.112 125 R HA -0.220 4.129 4.340 0.014 0.000 0.242 125 R C 1.834 177.995 176.300 -0.231 0.000 1.137 125 R CA 2.273 58.296 56.100 -0.128 0.000 0.944 125 R CB -0.545 29.516 30.300 -0.399 0.000 0.857 125 R HN 0.539 nan 8.270 nan 0.000 0.435 126 H N -1.213 117.945 119.070 0.146 0.000 2.615 126 H HA 0.124 4.688 4.556 0.014 0.000 0.275 126 H C 0.711 176.163 175.328 0.207 0.000 0.981 126 H CA 0.538 56.702 56.048 0.193 0.000 1.252 126 H CB 0.006 29.855 29.762 0.146 0.000 1.447 126 H HN 0.180 nan 8.280 nan 0.000 0.498 127 S N 1.512 117.243 115.700 0.052 0.000 2.549 127 S HA 0.269 4.748 4.470 0.014 0.000 0.283 127 S C -0.242 174.225 174.600 -0.222 0.000 1.320 127 S CA -0.447 57.451 58.200 -0.503 0.000 1.058 127 S CB 0.144 62.608 63.200 -1.227 0.000 0.882 127 S HN 0.444 nan 8.310 nan 0.000 0.498 128 Y N -1.423 118.751 120.300 -0.210 0.000 2.725 128 Y HA 0.757 5.316 4.550 0.015 0.000 0.333 128 Y C -0.758 175.126 175.900 -0.027 0.000 1.242 128 Y CA -1.210 56.759 58.100 -0.218 0.000 1.059 128 Y CB 0.867 39.138 38.460 -0.316 0.000 1.306 128 Y HN 0.556 nan 8.280 nan 0.000 0.454 129 T N 1.357 115.962 114.554 0.086 0.000 2.863 129 T HA 0.896 5.255 4.350 0.014 0.000 0.285 129 T C -0.964 173.799 174.700 0.104 0.000 1.009 129 T CA 0.030 62.185 62.100 0.091 0.000 0.989 129 T CB 1.210 70.078 68.868 -0.001 0.000 1.004 129 T HN 1.109 nan 8.240 nan 0.000 0.455 130 A N 2.012 124.864 122.820 0.053 0.000 2.583 130 A HA 0.857 5.185 4.320 0.014 0.000 0.289 130 A C -0.663 176.601 177.584 -0.533 0.000 1.151 130 A CA -0.705 51.184 52.037 -0.248 0.000 0.695 130 A CB 1.466 20.302 19.000 -0.272 0.000 1.290 130 A HN 0.677 nan 8.150 nan 0.000 0.419 131 S N -0.998 114.167 115.700 -0.892 0.000 2.690 131 S HA 0.816 5.295 4.470 0.014 0.000 0.291 131 S C -1.528 172.358 174.600 -1.191 0.000 1.138 131 S CA -0.087 57.523 58.200 -0.984 0.000 1.013 131 S CB 0.709 63.150 63.200 -1.265 0.000 1.053 131 S HN 0.464 nan 8.310 nan 0.000 0.539 132 Y N 0.001 120.143 120.300 -0.264 0.000 2.479 132 Y HA 0.433 4.991 4.550 0.014 0.000 0.338 132 Y C -0.848 175.099 175.900 0.079 0.000 1.055 132 Y CA -0.946 57.122 58.100 -0.053 0.000 1.023 132 Y CB 1.866 40.206 38.460 -0.199 0.000 1.287 132 Y HN 0.535 nan 8.280 nan 0.000 0.447 133 D N 2.380 122.948 120.400 0.279 0.000 2.527 133 D HA 0.669 5.318 4.640 0.014 0.000 0.233 133 D C -1.131 175.217 176.300 0.080 0.000 1.063 133 D CA -0.405 53.686 54.000 0.152 0.000 0.880 133 D CB 2.267 43.162 40.800 0.158 0.000 1.457 133 D HN 0.325 nan 8.370 nan 0.000 0.475 134 I N 1.447 122.076 120.570 0.097 0.000 2.433 134 I HA 0.319 4.497 4.170 0.014 0.000 0.292 134 I C -1.218 175.054 176.117 0.258 0.000 1.001 134 I CA -1.055 60.351 61.300 0.177 0.000 1.119 134 I CB 1.333 39.416 38.000 0.139 0.000 1.289 134 I HN 0.300 nan 8.210 nan 0.000 0.438 135 Y N 5.674 126.081 120.300 0.178 0.000 2.356 135 Y HA 0.283 4.842 4.550 0.015 0.000 0.334 135 Y C 0.034 176.072 175.900 0.231 0.000 0.958 135 Y CA -0.736 57.472 58.100 0.180 0.000 1.196 135 Y CB 0.773 39.322 38.460 0.147 0.000 1.137 135 Y HN 0.543 nan 8.280 nan 0.000 0.485 136 D N 5.592 125.875 120.400 -0.194 0.000 2.450 136 D HA 0.002 4.650 4.640 0.014 0.000 0.247 136 D C 0.458 176.384 176.300 -0.623 0.000 1.162 136 D CA 0.628 54.414 54.000 -0.356 0.000 0.879 136 D CB 1.123 41.799 40.800 -0.206 0.000 1.163 136 D HN 0.884 nan 8.370 nan 0.000 0.472 137 L N 3.697 124.612 121.223 -0.514 0.000 2.408 137 L HA 0.053 4.402 4.340 0.014 0.000 0.215 137 L C 2.189 178.877 176.870 -0.304 0.000 1.081 137 L CA -0.013 54.628 54.840 -0.331 0.000 0.840 137 L CB -0.127 41.805 42.059 -0.211 0.000 1.002 137 L HN 0.407 nan 8.230 nan 0.000 0.468 138 N N 0.427 118.916 118.700 -0.351 0.000 2.331 138 N HA -0.121 4.628 4.740 0.014 0.000 0.180 138 N C 1.453 176.843 175.510 -0.201 0.000 1.019 138 N CA 1.086 53.990 53.050 -0.244 0.000 0.881 138 N CB 0.215 38.559 38.487 -0.237 0.000 0.972 138 N HN 0.420 nan 8.380 nan 0.000 0.435 139 K N 0.386 120.642 120.400 -0.240 0.000 2.240 139 K HA 0.211 4.540 4.320 0.014 0.000 0.202 139 K C -0.062 176.411 176.600 -0.213 0.000 1.053 139 K CA 0.042 56.216 56.287 -0.188 0.000 0.973 139 K CB 0.579 32.981 32.500 -0.163 0.000 0.924 139 K HN -0.075 nan 8.250 nan 0.000 0.477 140 R N 1.574 121.853 120.500 -0.368 0.000 3.078 140 R HA -0.125 4.224 4.340 0.014 0.000 0.264 140 R C -1.271 174.825 176.300 -0.340 0.000 1.049 140 R CA 0.326 56.177 56.100 -0.414 0.000 0.689 140 R CB -2.072 28.173 30.300 -0.092 0.000 1.286 140 R HN 0.502 nan 8.270 nan 0.000 0.390 141 Q N -0.824 118.630 119.800 -0.577 0.000 2.527 141 Q HA 0.485 4.834 4.340 0.014 0.000 0.280 141 Q C -1.173 174.781 176.000 -0.077 0.000 0.977 141 Q CA -1.371 54.360 55.803 -0.120 0.000 0.837 141 Q CB 1.136 29.860 28.738 -0.023 0.000 1.454 141 Q HN -0.009 nan 8.270 nan 0.000 0.387 142 L N 1.519 122.875 121.223 0.222 0.000 2.456 142 L HA 0.224 4.573 4.340 0.014 0.000 0.272 142 L C -0.057 176.892 176.870 0.131 0.000 1.189 142 L CA 0.160 55.147 54.840 0.244 0.000 0.846 142 L CB -0.070 42.162 42.059 0.289 0.000 1.111 142 L HN 0.584 nan 8.230 nan 0.000 0.475 143 I N 1.422 122.065 120.570 0.120 0.000 2.496 143 I HA 0.098 4.276 4.170 0.014 0.000 0.285 143 I C 1.308 177.466 176.117 0.068 0.000 1.080 143 I CA 0.655 62.001 61.300 0.077 0.000 1.404 143 I CB 1.198 39.233 38.000 0.058 0.000 1.403 143 I HN 0.857 nan 8.210 nan 0.000 0.539 144 T N 1.097 115.679 114.554 0.045 0.000 2.969 144 T HA 0.171 4.530 4.350 0.014 0.000 0.250 144 T C 0.431 175.134 174.700 0.005 0.000 1.021 144 T CA -0.347 61.774 62.100 0.035 0.000 1.003 144 T CB -0.041 68.849 68.868 0.037 0.000 1.040 144 T HN 0.539 nan 8.240 nan 0.000 0.492 145 E N 2.334 122.533 120.200 -0.003 0.000 2.283 145 E HA 0.177 4.535 4.350 0.014 0.000 0.278 145 E C -0.553 176.021 176.600 -0.043 0.000 1.027 145 E CA -0.435 55.952 56.400 -0.021 0.000 0.843 145 E CB 0.601 30.292 29.700 -0.015 0.000 1.062 145 E HN 0.228 nan 8.360 nan 0.000 0.401 146 E N 1.128 121.291 120.200 -0.063 0.000 2.360 146 E HA -0.234 4.124 4.350 0.014 0.000 0.238 146 E C -0.506 176.019 176.600 -0.125 0.000 1.186 146 E CA 0.691 57.034 56.400 -0.094 0.000 0.719 146 E CB -1.537 28.114 29.700 -0.082 0.000 1.236 146 E HN 0.576 nan 8.360 nan 0.000 0.386 147 R N -0.196 120.229 120.500 -0.125 0.000 2.756 147 R HA 0.216 4.564 4.340 0.014 0.000 0.264 147 R C 1.154 177.291 176.300 -0.270 0.000 1.026 147 R CA -0.094 55.919 56.100 -0.146 0.000 1.121 147 R CB 0.319 30.562 30.300 -0.095 0.000 0.999 147 R HN 0.134 nan 8.270 nan 0.000 0.449 148 I N 3.605 123.980 120.570 -0.326 0.000 2.648 148 I HA 0.034 4.213 4.170 0.014 0.000 0.284 148 I C -1.713 174.100 176.117 -0.507 0.000 1.153 148 I CA -1.588 59.364 61.300 -0.581 0.000 1.426 148 I CB 0.320 37.975 38.000 -0.575 0.000 1.381 148 I HN 0.326 nan 8.210 nan 0.000 0.571 149 P HA 0.042 nan 4.420 nan 0.000 0.271 149 P C -0.800 176.262 177.300 -0.397 0.000 1.233 149 P CA -0.298 62.373 63.100 -0.716 0.000 0.789 149 P CB 0.359 31.127 31.700 -1.552 0.000 0.951 150 N N 2.309 120.861 118.700 -0.247 0.000 2.482 150 N HA 0.033 4.782 4.740 0.014 0.000 0.260 150 N C 0.293 175.852 175.510 0.082 0.000 1.236 150 N CA 0.264 53.244 53.050 -0.116 0.000 0.938 150 N CB -0.249 38.188 38.487 -0.084 0.000 1.128 150 N HN 0.435 nan 8.380 nan 0.000 0.448 151 N N -0.797 117.939 118.700 0.060 0.000 2.776 151 N HA -0.144 4.605 4.740 0.014 0.000 0.249 151 N C -0.889 174.826 175.510 0.342 0.000 1.111 151 N CA 0.616 53.766 53.050 0.167 0.000 0.711 151 N CB -1.684 36.908 38.487 0.176 0.000 1.065 151 N HN 0.483 nan 8.380 nan 0.000 0.556 152 T N 0.929 115.673 114.554 0.317 0.000 2.851 152 T HA 0.123 4.482 4.350 0.014 0.000 0.298 152 T C 1.705 176.598 174.700 0.322 0.000 0.977 152 T CA 0.051 62.379 62.100 0.381 0.000 1.126 152 T CB 1.466 70.475 68.868 0.235 0.000 0.916 152 T HN 0.165 nan 8.240 nan 0.000 0.529 153 Q N 1.827 121.796 119.800 0.282 0.000 2.163 153 Q HA 0.131 4.480 4.340 0.014 0.000 0.198 153 Q C 0.173 176.326 176.000 0.255 0.000 0.954 153 Q CA 0.669 56.628 55.803 0.260 0.000 0.851 153 Q CB 0.596 29.422 28.738 0.147 0.000 0.928 153 Q HN 0.700 nan 8.270 nan 0.000 0.459 154 W N 0.280 121.535 121.300 -0.076 0.000 3.296 154 W HA 0.472 5.140 4.660 0.014 0.000 0.314 154 W C -1.941 174.488 176.519 -0.150 0.000 1.238 154 W CA -0.882 56.374 57.345 -0.149 0.000 1.193 154 W CB 1.494 30.808 29.460 -0.244 0.000 1.383 154 W HN -0.283 nan 8.180 nan 0.000 0.545 155 V N 1.527 120.790 119.914 -1.085 0.000 2.789 155 V HA 0.855 4.984 4.120 0.014 0.000 0.311 155 V C -0.653 174.821 176.094 -1.034 0.000 1.073 155 V CA -0.742 61.006 62.300 -0.920 0.000 0.921 155 V CB 1.136 32.292 31.823 -1.111 0.000 1.009 155 V HN 0.546 nan 8.190 nan 0.000 0.426 156 T N 2.394 116.651 114.554 -0.496 0.000 3.105 156 T HA 0.507 4.866 4.350 0.014 0.000 0.321 156 T C -1.341 173.316 174.700 -0.071 0.000 1.135 156 T CA -0.322 61.658 62.100 -0.199 0.000 1.053 156 T CB 0.974 69.986 68.868 0.239 0.000 1.133 156 T HN 0.711 nan 8.240 nan 0.000 0.463 157 W N 3.512 124.792 121.300 -0.034 0.000 2.150 157 W HA 0.433 5.102 4.660 0.014 0.000 0.341 157 W C 1.323 177.556 176.519 -0.475 0.000 1.276 157 W CA -0.560 56.691 57.345 -0.156 0.000 1.238 157 W CB 0.618 30.009 29.460 -0.115 0.000 1.128 157 W HN 0.853 nan 8.180 nan 0.000 0.581 158 S N 1.918 117.166 115.700 -0.754 0.000 2.569 158 S HA 0.022 4.501 4.470 0.014 0.000 0.274 158 S C -1.785 172.514 174.600 -0.502 0.000 1.353 158 S CA -0.861 56.460 58.200 -1.465 0.000 1.023 158 S CB 0.558 62.867 63.200 -1.485 0.000 0.876 158 S HN 0.305 nan 8.310 nan 0.000 0.540 159 P HA 0.052 nan 4.420 nan 0.000 0.221 159 P C 0.348 177.594 177.300 -0.091 0.000 1.150 159 P CA 0.723 63.769 63.100 -0.091 0.000 0.800 159 P CB -0.157 31.540 31.700 -0.006 0.000 0.787 160 V N -6.284 113.539 119.914 -0.152 0.000 3.040 160 V HA 0.893 5.022 4.120 0.014 0.000 0.312 160 V C 0.299 176.286 176.094 -0.179 0.000 1.115 160 V CA -0.280 61.946 62.300 -0.123 0.000 0.998 160 V CB 1.108 32.884 31.823 -0.078 0.000 1.042 160 V HN 0.417 nan 8.190 nan 0.000 0.433 161 G N 2.489 111.196 108.800 -0.155 0.000 2.562 161 G HA2 -0.175 3.794 3.960 0.014 0.000 0.250 161 G HA3 -0.175 3.794 3.960 0.014 0.000 0.250 161 G C 0.181 174.971 174.900 -0.185 0.000 1.269 161 G CA 0.612 45.582 45.100 -0.216 0.000 0.919 161 G HN 2.516 nan 8.290 nan 0.000 0.574 162 H N -0.439 118.601 119.070 -0.050 0.000 2.750 162 H HA 0.424 4.988 4.556 0.014 0.000 0.239 162 H C 0.346 175.800 175.328 0.209 0.000 1.210 162 H CA -0.210 55.839 56.048 0.002 0.000 0.936 162 H CB -0.011 29.766 29.762 0.026 0.000 2.074 162 H HN 0.482 nan 8.280 nan 0.000 0.622 163 K N 1.411 121.851 120.400 0.066 0.000 2.355 163 K HA 0.264 4.593 4.320 0.014 0.000 0.270 163 K C -0.778 175.926 176.600 0.173 0.000 1.003 163 K CA -0.553 55.777 56.287 0.072 0.000 0.957 163 K CB 1.288 33.698 32.500 -0.150 0.000 0.939 163 K HN 0.021 nan 8.250 nan 0.000 0.482 164 L N 1.687 123.047 121.223 0.228 0.000 2.409 164 L HA 0.469 4.818 4.340 0.014 0.000 0.272 164 L C -1.332 175.714 176.870 0.293 0.000 0.980 164 L CA -0.342 54.567 54.840 0.114 0.000 0.826 164 L CB 1.583 43.560 42.059 -0.136 0.000 1.268 164 L HN 0.761 nan 8.230 nan 0.000 0.407 165 A N 4.746 127.775 122.820 0.347 0.000 2.330 165 A HA 0.768 5.097 4.320 0.014 0.000 0.313 165 A C -1.596 176.033 177.584 0.074 0.000 1.124 165 A CA -0.403 51.735 52.037 0.168 0.000 0.774 165 A CB 0.757 19.804 19.000 0.078 0.000 1.198 165 A HN 0.685 nan 8.150 nan 0.000 0.465 166 Y N -0.085 120.191 120.300 -0.040 0.000 2.576 166 Y HA 0.794 5.353 4.550 0.014 0.000 0.346 166 Y C -1.059 174.866 175.900 0.041 0.000 1.018 166 Y CA -1.690 56.365 58.100 -0.075 0.000 1.050 166 Y CB 1.267 39.618 38.460 -0.182 0.000 1.280 166 Y HN 0.337 nan 8.280 nan 0.000 0.474 167 V N 2.305 122.367 119.914 0.247 0.000 2.448 167 V HA 0.367 4.496 4.120 0.014 0.000 0.295 167 V C -1.418 174.906 176.094 0.383 0.000 1.025 167 V CA -0.643 61.770 62.300 0.188 0.000 0.859 167 V CB 1.186 33.016 31.823 0.011 0.000 0.988 167 V HN 0.894 nan 8.190 nan 0.000 0.431 168 W N 5.459 126.880 121.300 0.202 0.000 3.097 168 W HA 0.530 5.199 4.660 0.014 0.000 0.335 168 W C 0.102 176.691 176.519 0.116 0.000 1.114 168 W CA -0.598 56.849 57.345 0.169 0.000 1.231 168 W CB 1.411 30.985 29.460 0.190 0.000 1.388 168 W HN 0.619 nan 8.180 nan 0.000 0.485 169 N N 4.743 123.004 118.700 -0.733 0.000 2.708 169 N HA -0.318 4.431 4.740 0.014 0.000 0.251 169 N C 0.008 175.310 175.510 -0.346 0.000 1.017 169 N CA 1.986 54.624 53.050 -0.687 0.000 0.742 169 N CB -1.450 36.369 38.487 -1.113 0.000 0.943 169 N HN 0.701 nan 8.380 nan 0.000 0.539 170 N N -2.709 115.867 118.700 -0.207 0.000 2.909 170 N HA -0.170 4.579 4.740 0.014 0.000 0.242 170 N C -1.146 174.259 175.510 -0.176 0.000 0.975 170 N CA 1.610 54.560 53.050 -0.168 0.000 0.921 170 N CB -0.657 37.693 38.487 -0.229 0.000 1.112 170 N HN 0.553 nan 8.380 nan 0.000 0.581 171 D N 0.016 120.308 120.400 -0.180 0.000 2.269 171 D HA 0.493 5.141 4.640 0.014 0.000 0.244 171 D C 0.442 176.520 176.300 -0.370 0.000 0.992 171 D CA -0.397 53.408 54.000 -0.324 0.000 0.894 171 D CB 1.266 41.805 40.800 -0.435 0.000 1.248 171 D HN 0.019 nan 8.370 nan 0.000 0.468 172 I N 1.912 122.122 120.570 -0.600 0.000 2.331 172 I HA 0.206 4.384 4.170 0.014 0.000 0.292 172 I C -0.598 175.044 176.117 -0.791 0.000 0.998 172 I CA -0.449 60.491 61.300 -0.599 0.000 1.267 172 I CB 0.488 38.064 38.000 -0.706 0.000 1.386 172 I HN 0.153 nan 8.210 nan 0.000 0.476 173 Y N 4.608 124.537 120.300 -0.619 0.000 2.549 173 Y HA 0.694 5.252 4.550 0.014 0.000 0.339 173 Y C -0.186 175.366 175.900 -0.581 0.000 1.053 173 Y CA -0.928 56.752 58.100 -0.700 0.000 1.105 173 Y CB 2.029 39.777 38.460 -1.187 0.000 1.258 173 Y HN 0.117 nan 8.280 nan 0.000 0.478 174 V N 2.055 121.902 119.914 -0.111 0.000 2.709 174 V HA 0.422 4.551 4.120 0.014 0.000 0.308 174 V C -0.958 175.264 176.094 0.213 0.000 1.062 174 V CA -1.441 60.893 62.300 0.056 0.000 0.901 174 V CB 2.050 33.913 31.823 0.067 0.000 1.003 174 V HN 0.618 nan 8.190 nan 0.000 0.425 175 K N 4.225 124.761 120.400 0.228 0.000 2.507 175 K HA 0.473 4.802 4.320 0.014 0.000 0.253 175 K C 0.509 177.248 176.600 0.231 0.000 0.969 175 K CA -0.682 55.738 56.287 0.221 0.000 0.908 175 K CB 1.494 34.081 32.500 0.146 0.000 1.127 175 K HN 0.454 nan 8.250 nan 0.000 0.437 176 I N 1.118 121.845 120.570 0.263 0.000 2.179 176 I HA -0.164 4.014 4.170 0.014 0.000 0.242 176 I C 0.645 176.893 176.117 0.218 0.000 1.088 176 I CA 1.637 63.063 61.300 0.210 0.000 1.357 176 I CB -0.383 37.734 38.000 0.195 0.000 1.051 176 I HN 0.543 nan 8.210 nan 0.000 0.409 177 E N 0.394 120.704 120.200 0.183 0.000 2.212 177 E HA 0.277 4.636 4.350 0.014 0.000 0.268 177 E C -1.909 174.682 176.600 -0.016 0.000 0.902 177 E CA -2.124 54.348 56.400 0.120 0.000 0.779 177 E CB 1.368 31.130 29.700 0.104 0.000 1.172 177 E HN -0.035 nan 8.360 nan 0.000 0.409 178 P HA -0.056 nan 4.420 nan 0.000 0.239 178 P C 0.379 177.587 177.300 -0.153 0.000 1.184 178 P CA 0.869 63.811 63.100 -0.263 0.000 0.760 178 P CB 0.184 31.487 31.700 -0.662 0.000 0.884 179 N N -2.007 116.633 118.700 -0.099 0.000 2.197 179 N HA 0.089 4.838 4.740 0.014 0.000 0.228 179 N C -0.177 175.316 175.510 -0.028 0.000 1.212 179 N CA -0.085 52.937 53.050 -0.046 0.000 0.883 179 N CB -0.347 38.130 38.487 -0.016 0.000 1.107 179 N HN 0.046 nan 8.380 nan 0.000 0.519 180 L N 0.128 121.338 121.223 -0.021 0.000 2.332 180 L HA 0.619 4.968 4.340 0.014 0.000 0.269 180 L C -2.221 174.615 176.870 -0.056 0.000 1.016 180 L CA -2.483 52.345 54.840 -0.020 0.000 0.809 180 L CB 1.587 43.657 42.059 0.018 0.000 1.280 180 L HN -0.175 nan 8.230 nan 0.000 0.447 181 P HA -0.012 nan 4.420 nan 0.000 0.264 181 P C -0.852 176.320 177.300 -0.213 0.000 1.183 181 P CA -0.108 62.898 63.100 -0.157 0.000 0.763 181 P CB 0.460 32.041 31.700 -0.200 0.000 0.807 182 S N 2.654 118.286 115.700 -0.113 0.000 2.584 182 S HA 0.371 4.849 4.470 0.014 0.000 0.273 182 S C -0.607 173.954 174.600 -0.065 0.000 1.311 182 S CA -0.508 57.682 58.200 -0.017 0.000 1.034 182 S CB 0.108 63.374 63.200 0.109 0.000 0.939 182 S HN 0.254 nan 8.310 nan 0.000 0.513 183 Y N 0.669 121.006 120.300 0.062 0.000 2.308 183 Y HA 0.443 5.002 4.550 0.014 0.000 0.329 183 Y C 1.001 176.882 175.900 -0.032 0.000 1.111 183 Y CA -0.832 57.294 58.100 0.044 0.000 1.179 183 Y CB 0.885 39.362 38.460 0.028 0.000 1.201 183 Y HN 0.638 nan 8.280 nan 0.000 0.483 184 R N 2.297 122.821 120.500 0.040 0.000 2.357 184 R HA 0.367 4.716 4.340 0.014 0.000 0.296 184 R C -0.293 175.826 176.300 -0.301 0.000 1.052 184 R CA -0.076 55.770 56.100 -0.424 0.000 0.988 184 R CB 0.536 30.381 30.300 -0.758 0.000 1.025 184 R HN 0.816 nan 8.270 nan 0.000 0.469 185 I N 1.109 121.375 120.570 -0.506 0.000 3.194 185 I HA 0.013 4.192 4.170 0.014 0.000 0.271 185 I C 0.635 176.580 176.117 -0.286 0.000 1.150 185 I CA 0.621 61.744 61.300 -0.295 0.000 1.440 185 I CB 0.304 38.095 38.000 -0.349 0.000 1.276 185 I HN 0.658 nan 8.210 nan 0.000 0.457 186 T N -3.170 111.063 114.554 -0.535 0.000 2.855 186 T HA 0.307 4.666 4.350 0.014 0.000 0.281 186 T C -0.704 173.710 174.700 -0.477 0.000 1.007 186 T CA -0.470 61.404 62.100 -0.375 0.000 1.009 186 T CB 1.131 69.746 68.868 -0.421 0.000 0.983 186 T HN 0.207 nan 8.240 nan 0.000 0.455 187 W N 1.121 122.304 121.300 -0.195 0.000 2.653 187 W HA 0.270 4.939 4.660 0.015 0.000 0.391 187 W C 1.606 178.060 176.519 -0.109 0.000 0.962 187 W CA -0.356 56.909 57.345 -0.134 0.000 1.900 187 W CB 0.420 29.824 29.460 -0.094 0.000 1.176 187 W HN 0.963 nan 8.180 nan 0.000 0.582 188 T N -3.742 110.829 114.554 0.029 0.000 3.003 188 T HA 0.313 4.672 4.350 0.014 0.000 0.261 188 T C 1.126 175.804 174.700 -0.037 0.000 1.003 188 T CA 0.074 62.181 62.100 0.012 0.000 0.917 188 T CB 0.008 68.881 68.868 0.009 0.000 1.084 188 T HN -0.035 nan 8.240 nan 0.000 0.522 189 G N 1.264 110.007 108.800 -0.096 0.000 2.414 189 G HA2 0.420 4.388 3.960 0.014 0.000 0.236 189 G HA3 0.420 4.388 3.960 0.014 0.000 0.236 189 G C -0.715 174.103 174.900 -0.136 0.000 1.293 189 G CA -0.325 44.695 45.100 -0.132 0.000 0.869 189 G HN 0.556 nan 8.290 nan 0.000 0.556 190 K N 1.257 121.554 120.400 -0.172 0.000 2.561 190 K HA 0.171 4.500 4.320 0.014 0.000 0.254 190 K C -0.411 176.052 176.600 -0.229 0.000 0.942 190 K CA -0.678 55.514 56.287 -0.160 0.000 0.818 190 K CB 1.903 34.349 32.500 -0.091 0.000 1.306 190 K HN 0.620 nan 8.250 nan 0.000 0.435 191 E N 2.936 123.021 120.200 -0.193 0.000 2.529 191 E HA -0.137 4.222 4.350 0.014 0.000 0.259 191 E C -0.537 175.972 176.600 -0.150 0.000 0.966 191 E CA 0.986 57.276 56.400 -0.183 0.000 0.937 191 E CB 0.272 29.902 29.700 -0.117 0.000 0.923 191 E HN 0.647 nan 8.360 nan 0.000 0.468 192 D N 2.286 122.586 120.400 -0.165 0.000 2.978 192 D HA -0.251 4.398 4.640 0.014 0.000 0.205 192 D C 0.591 176.929 176.300 0.064 0.000 1.093 192 D CA 1.601 55.621 54.000 0.035 0.000 1.006 192 D CB -0.816 40.038 40.800 0.090 0.000 1.116 192 D HN 0.507 nan 8.370 nan 0.000 0.419 193 I N -0.877 119.617 120.570 -0.127 0.000 3.878 193 I HA 0.080 4.259 4.170 0.014 0.000 0.273 193 I C 0.351 176.522 176.117 0.090 0.000 1.165 193 I CA 0.133 61.460 61.300 0.045 0.000 1.360 193 I CB 0.799 38.810 38.000 0.019 0.000 1.539 193 I HN -0.155 nan 8.210 nan 0.000 0.447 194 I N 1.393 121.903 120.570 -0.100 0.000 2.410 194 I HA 0.268 4.446 4.170 0.014 0.000 0.286 194 I C -1.525 174.542 176.117 -0.084 0.000 1.009 194 I CA -0.527 60.797 61.300 0.041 0.000 1.111 194 I CB 0.932 38.949 38.000 0.028 0.000 1.262 194 I HN 0.024 nan 8.210 nan 0.000 0.443 195 Y N 4.528 124.911 120.300 0.138 0.000 2.402 195 Y HA 0.393 4.952 4.550 0.014 0.000 0.332 195 Y C 0.457 176.394 175.900 0.061 0.000 0.960 195 Y CA -0.999 57.179 58.100 0.132 0.000 1.228 195 Y CB 0.671 39.298 38.460 0.278 0.000 1.120 195 Y HN 0.403 nan 8.280 nan 0.000 0.491 196 N N 2.260 120.992 118.700 0.053 0.000 2.422 196 N HA 0.315 5.063 4.740 0.014 0.000 0.266 196 N C 1.026 176.436 175.510 -0.166 0.000 1.007 196 N CA 0.544 53.544 53.050 -0.084 0.000 0.941 196 N CB 1.790 40.116 38.487 -0.268 0.000 1.115 196 N HN 0.993 nan 8.380 nan 0.000 0.492 197 G N 1.600 110.315 108.800 -0.142 0.000 2.212 197 G HA2 -0.278 3.691 3.960 0.014 0.000 0.266 197 G HA3 -0.278 3.691 3.960 0.014 0.000 0.266 197 G C 0.170 174.919 174.900 -0.251 0.000 0.978 197 G CA 0.794 45.750 45.100 -0.240 0.000 0.632 197 G HN 0.684 nan 8.290 nan 0.000 0.537 198 I N -1.198 119.304 120.570 -0.113 0.000 2.785 198 I HA 0.787 4.966 4.170 0.014 0.000 0.302 198 I C 0.398 176.622 176.117 0.178 0.000 1.069 198 I CA -0.615 60.572 61.300 -0.188 0.000 1.045 198 I CB 2.088 39.801 38.000 -0.477 0.000 1.236 198 I HN 0.153 nan 8.210 nan 0.000 0.429 199 T N 0.087 114.683 114.554 0.071 0.000 2.904 199 T HA 0.308 4.666 4.350 0.014 0.000 0.290 199 T C -0.131 174.456 174.700 -0.190 0.000 1.018 199 T CA -0.702 61.318 62.100 -0.134 0.000 1.075 199 T CB 1.137 69.977 68.868 -0.047 0.000 0.986 199 T HN 0.765 nan 8.240 nan 0.000 0.523 200 D N 0.884 120.876 120.400 -0.680 0.000 2.433 200 D HA 0.006 4.655 4.640 0.014 0.000 0.255 200 D C 0.986 177.237 176.300 -0.081 0.000 1.226 200 D CA -1.096 52.539 54.000 -0.609 0.000 1.015 200 D CB 0.250 40.555 40.800 -0.826 0.000 1.091 200 D HN 0.720 nan 8.370 nan 0.000 0.527 201 W N 0.711 121.970 121.300 -0.069 0.000 2.302 201 W HA -0.274 4.394 4.660 0.014 0.000 0.320 201 W C 2.166 178.585 176.519 -0.168 0.000 1.241 201 W CA 2.716 59.995 57.345 -0.109 0.000 1.264 201 W CB -0.532 28.775 29.460 -0.254 0.000 1.154 201 W HN 0.216 nan 8.180 nan 0.000 0.483 202 V N -0.296 119.677 119.914 0.097 0.000 2.358 202 V HA -0.300 3.829 4.120 0.014 0.000 0.246 202 V C 1.968 177.901 176.094 -0.270 0.000 1.047 202 V CA 2.156 64.406 62.300 -0.085 0.000 1.035 202 V CB -0.816 30.984 31.823 -0.038 0.000 0.658 202 V HN 0.296 nan 8.190 nan 0.000 0.452 203 Y N 0.768 120.889 120.300 -0.299 0.000 2.242 203 Y HA -0.205 4.354 4.550 0.014 0.000 0.291 203 Y C 2.569 178.355 175.900 -0.189 0.000 1.137 203 Y CA 2.188 60.109 58.100 -0.298 0.000 1.181 203 Y CB -0.189 37.960 38.460 -0.518 0.000 0.989 203 Y HN 0.434 nan 8.280 nan 0.000 0.527 204 E N 0.393 120.563 120.200 -0.050 0.000 2.023 204 E HA -0.324 4.034 4.350 0.014 0.000 0.196 204 E C 2.083 178.629 176.600 -0.090 0.000 1.003 204 E CA 1.732 58.125 56.400 -0.012 0.000 0.809 204 E CB -0.108 29.596 29.700 0.006 0.000 0.755 204 E HN 0.413 nan 8.360 nan 0.000 0.449 205 E N 0.003 119.972 120.200 -0.385 0.000 2.072 205 E HA -0.161 4.198 4.350 0.014 0.000 0.190 205 E C 1.692 178.154 176.600 -0.229 0.000 0.982 205 E CA 1.555 57.700 56.400 -0.426 0.000 0.803 205 E CB 0.164 29.225 29.700 -1.065 0.000 0.755 205 E HN 0.266 nan 8.360 nan 0.000 0.453 206 E N -0.948 119.090 120.200 -0.270 0.000 2.399 206 E HA 0.112 4.470 4.350 0.014 0.000 0.205 206 E C 1.877 178.324 176.600 -0.255 0.000 0.906 206 E CA 0.501 56.776 56.400 -0.208 0.000 0.998 206 E CB 0.705 30.266 29.700 -0.232 0.000 1.002 206 E HN 0.186 nan 8.360 nan 0.000 0.501 207 V N -0.234 119.466 119.914 -0.358 0.000 2.627 207 V HA 0.045 4.173 4.120 0.014 0.000 0.239 207 V C 1.258 177.095 176.094 -0.429 0.000 1.077 207 V CA 0.908 62.895 62.300 -0.520 0.000 1.103 207 V CB -0.105 31.201 31.823 -0.863 0.000 0.802 207 V HN 0.038 nan 8.190 nan 0.000 0.482 208 F N 0.401 120.348 119.950 -0.004 0.000 2.678 208 F HA 0.320 4.855 4.527 0.014 0.000 0.305 208 F C 1.493 177.249 175.800 -0.073 0.000 1.090 208 F CA -0.221 57.799 58.000 0.033 0.000 1.272 208 F CB -0.350 38.728 39.000 0.130 0.000 1.060 208 F HN 0.025 nan 8.300 nan 0.000 0.576 209 S N 0.933 116.633 115.700 -0.001 0.000 3.425 209 S HA -0.024 4.455 4.470 0.014 0.000 0.377 209 S C 0.193 174.320 174.600 -0.788 0.000 0.989 209 S CA 0.539 58.587 58.200 -0.252 0.000 1.183 209 S CB -1.682 61.457 63.200 -0.103 0.000 0.908 209 S HN 0.631 nan 8.310 nan 0.000 0.472 210 A N -0.770 121.813 122.820 -0.396 0.000 2.599 210 A HA 0.643 4.972 4.320 0.014 0.000 0.294 210 A C -0.264 177.292 177.584 -0.045 0.000 1.055 210 A CA -0.518 51.346 52.037 -0.288 0.000 0.683 210 A CB 0.340 19.214 19.000 -0.210 0.000 1.278 210 A HN 0.299 nan 8.150 nan 0.000 0.412 211 Y N 1.630 121.783 120.300 -0.244 0.000 2.337 211 Y HA 0.044 4.603 4.550 0.014 0.000 0.293 211 Y C 1.738 177.369 175.900 -0.449 0.000 1.123 211 Y CA 1.216 59.176 58.100 -0.233 0.000 1.201 211 Y CB 0.277 38.645 38.460 -0.153 0.000 1.011 211 Y HN 0.837 nan 8.280 nan 0.000 0.545 212 S N 0.715 115.861 115.700 -0.924 0.000 2.565 212 S HA 0.447 4.926 4.470 0.014 0.000 0.276 212 S C -0.088 174.028 174.600 -0.806 0.000 1.326 212 S CA -0.122 57.333 58.200 -1.241 0.000 1.045 212 S CB 1.485 63.444 63.200 -2.070 0.000 0.918 212 S HN 0.351 nan 8.310 nan 0.000 0.505 213 A N 4.531 126.892 122.820 -0.765 0.000 3.253 213 A HA 0.595 4.924 4.320 0.014 0.000 0.290 213 A C -0.571 176.220 177.584 -1.321 0.000 0.950 213 A CA -0.616 50.848 52.037 -0.955 0.000 0.986 213 A CB -0.238 18.628 19.000 -0.224 0.000 1.104 213 A HN 0.787 nan 8.150 nan 0.000 0.481 214 L N 0.233 120.561 121.223 -1.492 0.000 2.381 214 L HA 0.673 5.022 4.340 0.014 0.000 0.268 214 L C -1.129 175.094 176.870 -1.078 0.000 0.997 214 L CA -0.608 53.656 54.840 -0.960 0.000 0.818 214 L CB 2.125 43.919 42.059 -0.441 0.000 1.310 214 L HN 0.496 nan 8.230 nan 0.000 0.416 215 W N 2.015 123.357 121.300 0.070 0.000 2.740 215 W HA 0.207 4.875 4.660 0.014 0.000 0.316 215 W C -1.338 175.368 176.519 0.311 0.000 1.020 215 W CA -1.113 56.402 57.345 0.284 0.000 1.278 215 W CB 1.071 30.777 29.460 0.410 0.000 1.224 215 W HN 0.472 nan 8.180 nan 0.000 0.393 216 W N 2.457 123.921 121.300 0.274 0.000 2.190 216 W HA 0.226 4.895 4.660 0.014 0.000 0.330 216 W C 1.386 177.655 176.519 -0.417 0.000 1.299 216 W CA 0.469 57.828 57.345 0.023 0.000 1.215 216 W CB 0.729 30.203 29.460 0.023 0.000 1.147 216 W HN 0.206 nan 8.180 nan 0.000 0.563 217 S N 3.804 119.127 115.700 -0.628 0.000 2.579 217 S HA 0.120 4.599 4.470 0.014 0.000 0.275 217 S C -1.420 172.950 174.600 -0.384 0.000 1.345 217 S CA -0.968 56.448 58.200 -1.307 0.000 1.031 217 S CB 1.073 63.562 63.200 -1.185 0.000 0.892 217 S HN 0.315 nan 8.310 nan 0.000 0.529 218 P HA -0.230 nan 4.420 nan 0.000 0.222 218 P C 0.730 178.015 177.300 -0.026 0.000 1.157 218 P CA 2.071 65.156 63.100 -0.026 0.000 0.905 218 P CB -0.334 31.389 31.700 0.039 0.000 0.792 219 N N -2.226 116.446 118.700 -0.046 0.000 2.273 219 N HA 0.166 4.915 4.740 0.014 0.000 0.231 219 N C 0.966 176.437 175.510 -0.066 0.000 1.134 219 N CA 0.211 53.232 53.050 -0.048 0.000 0.856 219 N CB -0.778 37.689 38.487 -0.033 0.000 1.068 219 N HN 0.201 nan 8.380 nan 0.000 0.510 220 G N -0.545 108.237 108.800 -0.029 0.000 2.166 220 G HA2 -0.364 3.605 3.960 0.014 0.000 0.260 220 G HA3 -0.364 3.605 3.960 0.014 0.000 0.260 220 G C 0.913 175.927 174.900 0.190 0.000 0.986 220 G CA 1.019 46.169 45.100 0.084 0.000 0.683 220 G HN 0.403 nan 8.290 nan 0.000 0.527 221 T N -0.401 114.146 114.554 -0.013 0.000 2.737 221 T HA 0.194 4.553 4.350 0.014 0.000 0.265 221 T C 0.750 175.272 174.700 -0.297 0.000 1.038 221 T CA 1.225 63.189 62.100 -0.227 0.000 1.144 221 T CB -0.083 68.510 68.868 -0.458 0.000 0.866 221 T HN 0.294 nan 8.240 nan 0.000 0.434 222 F N 0.506 120.475 119.950 0.031 0.000 2.450 222 F HA 0.587 5.123 4.527 0.014 0.000 0.332 222 F C -0.251 175.540 175.800 -0.014 0.000 1.093 222 F CA -1.549 56.490 58.000 0.065 0.000 1.003 222 F CB 1.102 40.228 39.000 0.210 0.000 1.151 222 F HN -0.105 nan 8.300 nan 0.000 0.474 223 L N 3.322 124.607 121.223 0.103 0.000 2.280 223 L HA 0.761 5.110 4.340 0.014 0.000 0.287 223 L C -0.406 176.538 176.870 0.123 0.000 1.023 223 L CA -0.614 54.139 54.840 -0.146 0.000 0.819 223 L CB 0.537 42.284 42.059 -0.520 0.000 1.212 223 L HN 0.671 nan 8.230 nan 0.000 0.420 224 A N 5.312 128.286 122.820 0.256 0.000 2.301 224 A HA 0.717 5.046 4.320 0.014 0.000 0.312 224 A C -1.336 176.324 177.584 0.127 0.000 1.182 224 A CA -0.304 51.806 52.037 0.123 0.000 0.826 224 A CB 0.414 19.648 19.000 0.391 0.000 1.134 224 A HN 0.802 nan 8.150 nan 0.000 0.501 225 Y N -1.056 119.035 120.300 -0.348 0.000 2.625 225 Y HA 0.791 5.350 4.550 0.014 0.000 0.338 225 Y C -0.318 175.378 175.900 -0.341 0.000 1.123 225 Y CA -1.035 56.916 58.100 -0.248 0.000 1.046 225 Y CB 0.978 39.273 38.460 -0.276 0.000 1.299 225 Y HN 0.890 nan 8.280 nan 0.000 0.464 226 A N 1.815 124.688 122.820 0.087 0.000 2.340 226 A HA 0.677 5.005 4.320 0.014 0.000 0.331 226 A C -1.222 176.236 177.584 -0.210 0.000 1.140 226 A CA -0.847 51.121 52.037 -0.115 0.000 0.801 226 A CB 1.678 20.594 19.000 -0.139 0.000 1.234 226 A HN 0.829 nan 8.150 nan 0.000 0.469 227 Q N 1.186 120.803 119.800 -0.306 0.000 2.325 227 Q HA 0.618 4.966 4.340 0.014 0.000 0.270 227 Q C -2.025 173.729 176.000 -0.411 0.000 1.020 227 Q CA -0.384 55.321 55.803 -0.164 0.000 0.785 227 Q CB 0.936 29.825 28.738 0.252 0.000 1.259 227 Q HN 0.578 nan 8.270 nan 0.000 0.452 228 F N 2.294 122.347 119.950 0.172 0.000 2.443 228 F HA 0.426 4.961 4.527 0.015 0.000 0.335 228 F C 0.399 176.353 175.800 0.257 0.000 1.104 228 F CA -0.946 57.125 58.000 0.118 0.000 1.013 228 F CB 1.376 40.330 39.000 -0.077 0.000 1.136 228 F HN 0.462 nan 8.300 nan 0.000 0.470 229 N N 2.069 120.993 118.700 0.373 0.000 2.564 229 N HA 0.185 4.934 4.740 0.014 0.000 0.248 229 N C -0.679 175.005 175.510 0.290 0.000 0.986 229 N CA -0.274 52.958 53.050 0.303 0.000 0.921 229 N CB 0.817 39.425 38.487 0.202 0.000 1.136 229 N HN 0.514 nan 8.380 nan 0.000 0.509 230 D N 1.537 122.147 120.400 0.350 0.000 2.325 230 D HA 0.070 4.718 4.640 0.014 0.000 0.225 230 D C 1.284 177.705 176.300 0.201 0.000 1.096 230 D CA 0.244 54.415 54.000 0.285 0.000 0.844 230 D CB 0.351 41.378 40.800 0.378 0.000 0.925 230 D HN 0.469 nan 8.370 nan 0.000 0.513 231 T N 0.415 115.068 114.554 0.166 0.000 2.649 231 T HA -0.231 4.128 4.350 0.014 0.000 0.268 231 T C 1.349 176.107 174.700 0.095 0.000 1.036 231 T CA 1.416 63.585 62.100 0.115 0.000 1.157 231 T CB -0.015 68.909 68.868 0.093 0.000 0.861 231 T HN 0.282 nan 8.240 nan 0.000 0.445 232 E N 0.086 120.342 120.200 0.094 0.000 2.558 232 E HA 0.192 4.551 4.350 0.014 0.000 0.205 232 E C -0.702 175.946 176.600 0.080 0.000 1.006 232 E CA -0.242 56.202 56.400 0.074 0.000 0.961 232 E CB 0.748 30.483 29.700 0.058 0.000 1.044 232 E HN 0.173 nan 8.360 nan 0.000 0.465 233 V N 3.480 123.456 119.914 0.103 0.000 2.455 233 V HA 0.126 4.254 4.120 0.014 0.000 0.273 233 V C -1.988 174.163 176.094 0.096 0.000 1.045 233 V CA -1.614 60.751 62.300 0.108 0.000 0.976 233 V CB 0.409 32.315 31.823 0.137 0.000 0.993 233 V HN 0.082 nan 8.190 nan 0.000 0.475 234 P HA 0.183 nan 4.420 nan 0.000 0.269 234 P C -0.776 176.561 177.300 0.063 0.000 1.217 234 P CA -0.114 63.024 63.100 0.063 0.000 0.783 234 P CB 0.436 32.172 31.700 0.059 0.000 0.898 235 L N 1.781 123.018 121.223 0.022 0.000 2.309 235 L HA 0.472 4.821 4.340 0.014 0.000 0.282 235 L C 0.471 177.290 176.870 -0.085 0.000 1.036 235 L CA -0.967 53.867 54.840 -0.010 0.000 0.806 235 L CB 0.947 42.994 42.059 -0.019 0.000 1.220 235 L HN 0.283 nan 8.230 nan 0.000 0.429 236 I N 2.338 122.805 120.570 -0.171 0.000 2.441 236 I HA 0.183 4.362 4.170 0.014 0.000 0.287 236 I C -0.289 175.665 176.117 -0.272 0.000 1.049 236 I CA 0.546 61.639 61.300 -0.345 0.000 1.381 236 I CB 0.514 38.028 38.000 -0.810 0.000 1.409 236 I HN 0.593 nan 8.210 nan 0.000 0.523 237 E N 7.557 127.620 120.200 -0.228 0.000 2.210 237 E HA 0.447 4.805 4.350 0.014 0.000 0.266 237 E C -1.721 174.801 176.600 -0.130 0.000 0.883 237 E CA -0.603 55.664 56.400 -0.220 0.000 0.761 237 E CB 1.832 31.440 29.700 -0.153 0.000 1.156 237 E HN 0.596 nan 8.360 nan 0.000 0.412 238 Y N -1.573 118.646 120.300 -0.135 0.000 2.625 238 Y HA 0.553 5.112 4.550 0.015 0.000 0.338 238 Y C -0.619 175.213 175.900 -0.112 0.000 1.123 238 Y CA -1.345 56.681 58.100 -0.122 0.000 1.046 238 Y CB 0.843 39.238 38.460 -0.109 0.000 1.299 238 Y HN 0.176 nan 8.280 nan 0.000 0.464 239 S N 1.736 117.451 115.700 0.025 0.000 2.545 239 S HA 0.427 4.906 4.470 0.014 0.000 0.275 239 S C -1.342 173.139 174.600 -0.199 0.000 1.299 239 S CA -0.405 57.654 58.200 -0.236 0.000 1.048 239 S CB 0.133 63.010 63.200 -0.540 0.000 0.938 239 S HN 0.524 nan 8.310 nan 0.000 0.496 240 F N 2.743 122.484 119.950 -0.348 0.000 2.426 240 F HA 0.392 4.927 4.527 0.014 0.000 0.348 240 F C 0.072 175.648 175.800 -0.373 0.000 1.124 240 F CA -0.670 57.183 58.000 -0.246 0.000 1.008 240 F CB 0.704 39.687 39.000 -0.029 0.000 1.139 240 F HN 0.693 nan 8.300 nan 0.000 0.452 241 Y N 2.716 122.838 120.300 -0.298 0.000 2.365 241 Y HA 0.035 4.593 4.550 0.014 0.000 0.293 241 Y C 1.738 177.586 175.900 -0.087 0.000 1.119 241 Y CA 1.123 59.124 58.100 -0.165 0.000 1.203 241 Y CB -0.545 37.791 38.460 -0.207 0.000 1.026 241 Y HN 0.728 nan 8.280 nan 0.000 0.549 242 S N 0.120 115.764 115.700 -0.093 0.000 3.443 242 S HA -0.324 4.155 4.470 0.014 0.000 0.635 242 S C -0.156 174.512 174.600 0.112 0.000 2.555 242 S CA 0.296 58.596 58.200 0.166 0.000 2.778 242 S CB -1.446 61.974 63.200 0.367 0.000 0.331 242 S HN 0.562 nan 8.310 nan 0.000 1.765 243 D N 1.064 121.548 120.400 0.139 0.000 2.449 243 D HA 0.201 4.850 4.640 0.014 0.000 0.236 243 D C 1.464 177.806 176.300 0.069 0.000 1.149 243 D CA 1.063 55.119 54.000 0.093 0.000 0.878 243 D CB 0.441 41.297 40.800 0.092 0.000 1.198 243 D HN 0.560 nan 8.370 nan 0.000 0.446 244 E N 1.178 121.405 120.200 0.045 0.000 2.164 244 E HA -0.340 4.018 4.350 0.014 0.000 0.206 244 E C 1.610 178.228 176.600 0.031 0.000 1.032 244 E CA 1.799 58.216 56.400 0.028 0.000 0.832 244 E CB -0.073 29.637 29.700 0.017 0.000 0.742 244 E HN 0.580 nan 8.360 nan 0.000 0.460 245 S N -0.015 115.708 115.700 0.040 0.000 2.469 245 S HA -0.116 4.362 4.470 0.014 0.000 0.238 245 S C 1.101 175.730 174.600 0.049 0.000 0.998 245 S CA 0.183 58.406 58.200 0.039 0.000 0.957 245 S CB -0.200 63.025 63.200 0.041 0.000 0.764 245 S HN 0.268 nan 8.310 nan 0.000 0.514 246 L N 2.266 123.527 121.223 0.064 0.000 2.407 246 L HA 0.174 4.522 4.340 0.014 0.000 0.282 246 L C 1.614 178.521 176.870 0.062 0.000 1.110 246 L CA -0.143 54.746 54.840 0.082 0.000 0.863 246 L CB 0.840 42.964 42.059 0.108 0.000 1.207 246 L HN 0.423 nan 8.230 nan 0.000 0.454 247 Q N 3.864 123.702 119.800 0.062 0.000 2.079 247 Q HA -0.120 4.229 4.340 0.014 0.000 0.200 247 Q C -0.576 175.338 176.000 -0.142 0.000 0.974 247 Q CA 1.426 57.209 55.803 -0.034 0.000 0.840 247 Q CB 0.216 28.957 28.738 0.004 0.000 0.898 247 Q HN 0.587 nan 8.270 nan 0.000 0.430 248 Y N 0.640 120.957 120.300 0.028 0.000 2.328 248 Y HA 0.364 4.922 4.550 0.014 0.000 0.333 248 Y C -2.053 173.858 175.900 0.018 0.000 0.958 248 Y CA -2.815 55.297 58.100 0.020 0.000 1.167 248 Y CB 1.392 39.857 38.460 0.007 0.000 1.151 248 Y HN 0.140 nan 8.280 nan 0.000 0.470 249 P HA -0.050 nan 4.420 nan 0.000 0.265 249 P C -0.530 176.786 177.300 0.026 0.000 1.187 249 P CA -0.168 62.951 63.100 0.032 0.000 0.766 249 P CB 0.699 32.355 31.700 -0.074 0.000 0.820 250 K N 1.762 122.172 120.400 0.017 0.000 2.172 250 K HA 0.273 4.601 4.320 0.014 0.000 0.276 250 K C -0.605 175.966 176.600 -0.048 0.000 1.013 250 K CA -0.300 55.992 56.287 0.009 0.000 0.913 250 K CB 0.562 33.088 32.500 0.043 0.000 1.055 250 K HN 0.357 nan 8.250 nan 0.000 0.461 251 T N 3.096 117.602 114.554 -0.079 0.000 2.743 251 T HA 0.187 4.546 4.350 0.014 0.000 0.293 251 T C -0.290 174.294 174.700 -0.193 0.000 0.945 251 T CA -0.594 61.424 62.100 -0.136 0.000 1.030 251 T CB 1.001 69.799 68.868 -0.115 0.000 0.912 251 T HN 0.261 nan 8.240 nan 0.000 0.483 252 V N 5.586 125.287 119.914 -0.354 0.000 2.465 252 V HA 0.424 4.553 4.120 0.014 0.000 0.279 252 V C 0.395 176.201 176.094 -0.480 0.000 1.045 252 V CA -0.628 61.398 62.300 -0.458 0.000 0.938 252 V CB 0.938 32.344 31.823 -0.695 0.000 0.986 252 V HN 0.739 nan 8.190 nan 0.000 0.467 253 R N 3.700 124.052 120.500 -0.248 0.000 2.451 253 R HA 0.712 5.060 4.340 0.014 0.000 0.307 253 R C -1.660 174.607 176.300 -0.055 0.000 0.965 253 R CA -0.596 55.404 56.100 -0.166 0.000 0.865 253 R CB 2.147 32.389 30.300 -0.096 0.000 1.174 253 R HN 0.478 nan 8.270 nan 0.000 0.455 254 V N 4.481 124.360 119.914 -0.058 0.000 2.531 254 V HA 0.321 4.450 4.120 0.014 0.000 0.301 254 V C -2.319 173.808 176.094 0.055 0.000 1.034 254 V CA -2.477 59.854 62.300 0.052 0.000 0.865 254 V CB 2.269 34.072 31.823 -0.034 0.000 0.995 254 V HN 0.594 nan 8.190 nan 0.000 0.424 255 P HA 0.154 nan 4.420 nan 0.000 0.266 255 P C -1.323 176.075 177.300 0.163 0.000 1.215 255 P CA 0.422 63.618 63.100 0.160 0.000 0.763 255 P CB -0.114 31.724 31.700 0.230 0.000 0.806 256 Y N 5.752 126.030 120.300 -0.036 0.000 2.298 256 Y HA 0.364 4.923 4.550 0.014 0.000 0.322 256 Y C -2.754 173.129 175.900 -0.028 0.000 1.138 256 Y CA -2.692 55.343 58.100 -0.110 0.000 1.127 256 Y CB 2.102 40.375 38.460 -0.311 0.000 1.178 256 Y HN 0.294 nan 8.280 nan 0.000 0.428 257 P HA 0.269 nan 4.420 nan 0.000 0.291 257 P C -1.168 176.232 177.300 0.167 0.000 1.340 257 P CA -0.213 62.960 63.100 0.121 0.000 0.799 257 P CB 1.405 33.148 31.700 0.072 0.000 0.917 258 K N 1.942 122.508 120.400 0.277 0.000 2.102 258 K HA 0.543 4.871 4.320 0.014 0.000 0.244 258 K C 0.497 177.214 176.600 0.194 0.000 1.021 258 K CA -0.778 55.680 56.287 0.285 0.000 0.913 258 K CB 0.547 33.219 32.500 0.287 0.000 1.062 258 K HN 0.429 nan 8.250 nan 0.000 0.485 259 A N 0.898 123.854 122.820 0.227 0.000 2.573 259 A HA 0.252 4.581 4.320 0.014 0.000 0.250 259 A C 1.199 178.834 177.584 0.086 0.000 1.049 259 A CA 1.076 53.233 52.037 0.199 0.000 0.767 259 A CB -1.408 17.794 19.000 0.337 0.000 0.965 259 A HN 0.905 nan 8.150 nan 0.000 0.514 260 G N 1.107 109.946 108.800 0.066 0.000 2.205 260 G HA2 0.100 4.069 3.960 0.014 0.000 0.261 260 G HA3 0.100 4.069 3.960 0.014 0.000 0.261 260 G C 0.694 175.612 174.900 0.030 0.000 0.980 260 G CA 0.699 45.810 45.100 0.017 0.000 0.632 260 G HN 2.217 nan 8.290 nan 0.000 0.533 261 A N -0.211 122.645 122.820 0.060 0.000 2.327 261 A HA 0.680 5.009 4.320 0.014 0.000 0.255 261 A C 0.960 178.579 177.584 0.057 0.000 1.099 261 A CA 0.365 52.439 52.037 0.063 0.000 0.801 261 A CB 0.636 19.691 19.000 0.092 0.000 1.062 261 A HN 1.193 nan 8.150 nan 0.000 0.496 262 V N 2.839 122.785 119.914 0.053 0.000 2.540 262 V HA -0.033 4.096 4.120 0.014 0.000 0.297 262 V C 0.465 176.600 176.094 0.068 0.000 1.024 262 V CA 0.092 62.421 62.300 0.048 0.000 1.105 262 V CB -0.446 31.405 31.823 0.047 0.000 0.938 262 V HN 0.834 nan 8.190 nan 0.000 0.482 263 N N 6.838 125.574 118.700 0.059 0.000 2.445 263 N HA 0.381 5.129 4.740 0.014 0.000 0.264 263 N C -2.312 173.268 175.510 0.117 0.000 1.227 263 N CA -1.425 51.680 53.050 0.092 0.000 0.963 263 N CB 0.591 39.117 38.487 0.065 0.000 1.188 263 N HN 0.396 nan 8.380 nan 0.000 0.491 264 P HA 0.038 nan 4.420 nan 0.000 0.269 264 P C -0.309 177.127 177.300 0.226 0.000 1.215 264 P CA -0.032 63.208 63.100 0.233 0.000 0.780 264 P CB 0.239 32.123 31.700 0.307 0.000 0.898 265 T N -1.356 113.316 114.554 0.197 0.000 2.944 265 T HA 0.580 4.939 4.350 0.014 0.000 0.284 265 T C -0.321 174.516 174.700 0.229 0.000 1.010 265 T CA -0.873 61.310 62.100 0.139 0.000 1.025 265 T CB 1.526 70.435 68.868 0.067 0.000 1.079 265 T HN 0.325 nan 8.240 nan 0.000 0.516 266 V N 0.647 120.681 119.914 0.201 0.000 2.686 266 V HA 0.685 4.814 4.120 0.014 0.000 0.306 266 V C -1.416 174.777 176.094 0.164 0.000 1.065 266 V CA -0.792 61.612 62.300 0.174 0.000 0.894 266 V CB 1.889 33.895 31.823 0.305 0.000 1.004 266 V HN 1.027 nan 8.190 nan 0.000 0.424 267 K N 5.071 125.491 120.400 0.034 0.000 2.328 267 K HA 0.602 4.931 4.320 0.014 0.000 0.246 267 K C -1.752 174.733 176.600 -0.192 0.000 0.955 267 K CA -0.524 55.725 56.287 -0.064 0.000 0.817 267 K CB 2.742 35.180 32.500 -0.103 0.000 1.208 267 K HN 0.586 nan 8.250 nan 0.000 0.432 268 F N 2.464 122.090 119.950 -0.540 0.000 2.507 268 F HA 0.542 5.077 4.527 0.014 0.000 0.325 268 F C -1.446 173.805 175.800 -0.915 0.000 1.116 268 F CA -0.649 57.029 58.000 -0.537 0.000 0.930 268 F CB 0.799 39.640 39.000 -0.266 0.000 1.146 268 F HN 0.373 nan 8.300 nan 0.000 0.447 269 F N 4.282 123.530 119.950 -1.169 0.000 2.588 269 F HA 0.723 5.259 4.527 0.014 0.000 0.314 269 F C -0.964 174.175 175.800 -1.101 0.000 1.069 269 F CA -1.225 56.171 58.000 -1.006 0.000 0.931 269 F CB 2.127 40.437 39.000 -1.150 0.000 1.260 269 F HN 0.074 nan 8.300 nan 0.000 0.465 270 V N 3.072 122.765 119.914 -0.369 0.000 2.483 270 V HA 0.510 4.638 4.120 0.014 0.000 0.297 270 V C -1.057 175.120 176.094 0.138 0.000 1.027 270 V CA -0.767 61.411 62.300 -0.204 0.000 0.855 270 V CB 1.915 33.447 31.823 -0.486 0.000 0.995 270 V HN 0.588 nan 8.190 nan 0.000 0.424 271 V N 5.149 125.192 119.914 0.215 0.000 2.581 271 V HA 0.561 4.690 4.120 0.014 0.000 0.303 271 V C -0.183 176.100 176.094 0.315 0.000 1.041 271 V CA -0.626 61.831 62.300 0.261 0.000 0.907 271 V CB 2.142 34.076 31.823 0.186 0.000 0.994 271 V HN 0.897 nan 8.190 nan 0.000 0.442 272 N N 3.343 122.209 118.700 0.278 0.000 2.420 272 N HA 0.123 4.872 4.740 0.014 0.000 0.249 272 N C 1.049 176.543 175.510 -0.026 0.000 1.033 272 N CA 0.542 53.665 53.050 0.121 0.000 0.944 272 N CB 1.802 40.358 38.487 0.115 0.000 1.113 272 N HN 0.905 nan 8.380 nan 0.000 0.502 273 T N 0.117 114.630 114.554 -0.069 0.000 3.023 273 T HA -0.022 4.337 4.350 0.014 0.000 0.266 273 T C 0.827 175.467 174.700 -0.101 0.000 1.093 273 T CA 0.785 62.849 62.100 -0.061 0.000 1.129 273 T CB 0.127 69.040 68.868 0.075 0.000 0.899 273 T HN 0.265 nan 8.240 nan 0.000 0.491 274 D N 2.296 122.619 120.400 -0.128 0.000 2.224 274 D HA -0.011 4.638 4.640 0.014 0.000 0.205 274 D C 1.715 177.949 176.300 -0.111 0.000 0.965 274 D CA 1.363 55.290 54.000 -0.120 0.000 0.852 274 D CB -0.161 40.549 40.800 -0.149 0.000 0.947 274 D HN 0.666 nan 8.370 nan 0.000 0.494 275 S N 0.089 115.725 115.700 -0.107 0.000 2.506 275 S HA 0.229 4.708 4.470 0.014 0.000 0.245 275 S C 0.253 174.797 174.600 -0.093 0.000 1.088 275 S CA -0.691 57.466 58.200 -0.072 0.000 1.099 275 S CB 0.023 63.206 63.200 -0.027 0.000 0.805 275 S HN -0.139 nan 8.310 nan 0.000 0.461 276 L N 2.329 123.428 121.223 -0.206 0.000 2.439 276 L HA 0.519 4.868 4.340 0.014 0.000 0.269 276 L C 0.547 177.291 176.870 -0.210 0.000 1.179 276 L CA 0.274 54.916 54.840 -0.331 0.000 0.828 276 L CB 1.167 42.726 42.059 -0.832 0.000 1.106 276 L HN 0.431 nan 8.230 nan 0.000 0.467 277 S N 0.292 115.980 115.700 -0.019 0.000 2.500 277 S HA 0.380 4.859 4.470 0.014 0.000 0.301 277 S C 0.805 175.613 174.600 0.347 0.000 1.092 277 S CA -0.512 57.778 58.200 0.150 0.000 1.030 277 S CB 1.310 64.569 63.200 0.099 0.000 1.031 277 S HN 0.598 nan 8.310 nan 0.000 0.483 278 S N 2.718 118.622 115.700 0.339 0.000 2.522 278 S HA -0.004 4.475 4.470 0.014 0.000 0.227 278 S C 1.397 176.084 174.600 0.145 0.000 0.986 278 S CA 0.456 58.793 58.200 0.228 0.000 0.929 278 S CB 0.006 63.285 63.200 0.131 0.000 0.769 278 S HN 0.552 nan 8.310 nan 0.000 0.529 279 V N 1.088 121.080 119.914 0.130 0.000 2.484 279 V HA 0.071 4.200 4.120 0.014 0.000 0.236 279 V C 1.286 177.429 176.094 0.082 0.000 1.062 279 V CA 1.218 63.570 62.300 0.087 0.000 1.081 279 V CB -0.488 31.373 31.823 0.064 0.000 0.751 279 V HN 0.556 nan 8.190 nan 0.000 0.484 280 T N -0.403 114.200 114.554 0.082 0.000 2.845 280 T HA 0.294 4.653 4.350 0.014 0.000 0.288 280 T C -0.029 174.725 174.700 0.089 0.000 0.980 280 T CA -0.600 61.536 62.100 0.060 0.000 1.071 280 T CB 0.589 69.483 68.868 0.043 0.000 0.941 280 T HN 0.174 nan 8.240 nan 0.000 0.487 281 N N 2.257 120.995 118.700 0.063 0.000 2.217 281 N HA 0.146 4.895 4.740 0.014 0.000 0.268 281 N C 0.556 176.135 175.510 0.115 0.000 1.290 281 N CA 0.315 53.431 53.050 0.110 0.000 0.831 281 N CB 0.209 38.681 38.487 -0.025 0.000 1.057 281 N HN 1.010 nan 8.380 nan 0.000 0.481 282 A N 2.457 125.371 122.820 0.156 0.000 2.555 282 A HA 0.112 4.440 4.320 0.014 0.000 0.233 282 A C 0.739 178.377 177.584 0.089 0.000 1.060 282 A CA 0.284 52.381 52.037 0.100 0.000 0.759 282 A CB 0.137 19.181 19.000 0.073 0.000 0.995 282 A HN 0.549 nan 8.150 nan 0.000 0.506 283 T N 2.046 116.651 114.554 0.085 0.000 2.893 283 T HA 0.460 4.819 4.350 0.014 0.000 0.324 283 T C -0.241 174.533 174.700 0.124 0.000 1.082 283 T CA -0.355 61.800 62.100 0.091 0.000 0.983 283 T CB -0.329 68.590 68.868 0.085 0.000 1.005 283 T HN 0.563 nan 8.240 nan 0.000 0.475 284 S N 6.142 121.905 115.700 0.104 0.000 2.474 284 S HA 0.392 4.871 4.470 0.014 0.000 0.276 284 S C 0.389 175.117 174.600 0.213 0.000 1.227 284 S CA -0.769 57.512 58.200 0.135 0.000 1.050 284 S CB 0.034 63.244 63.200 0.016 0.000 0.939 284 S HN 0.617 nan 8.310 nan 0.000 0.490 285 I N 3.296 124.017 120.570 0.253 0.000 2.474 285 I HA 0.234 4.413 4.170 0.014 0.000 0.287 285 I C 0.600 176.854 176.117 0.229 0.000 1.048 285 I CA -0.145 61.318 61.300 0.271 0.000 1.383 285 I CB 0.716 38.953 38.000 0.394 0.000 1.412 285 I HN 0.654 nan 8.210 nan 0.000 0.531 286 Q N 5.648 125.554 119.800 0.177 0.000 2.245 286 Q HA 0.571 4.920 4.340 0.014 0.000 0.256 286 Q C -1.248 174.719 176.000 -0.054 0.000 0.942 286 Q CA -0.572 55.187 55.803 -0.074 0.000 0.896 286 Q CB 1.501 30.174 28.738 -0.109 0.000 1.272 286 Q HN 0.558 nan 8.270 nan 0.000 0.442 287 I N 3.957 124.476 120.570 -0.085 0.000 2.359 287 I HA 0.213 4.391 4.170 0.014 0.000 0.284 287 I C 0.107 176.206 176.117 -0.029 0.000 1.018 287 I CA -0.697 60.599 61.300 -0.007 0.000 1.173 287 I CB 1.429 39.440 38.000 0.018 0.000 1.326 287 I HN 0.663 nan 8.210 nan 0.000 0.462 288 T N 2.968 117.462 114.554 -0.100 0.000 2.913 288 T HA 0.599 4.958 4.350 0.014 0.000 0.297 288 T C 0.554 175.030 174.700 -0.374 0.000 1.029 288 T CA -0.856 61.123 62.100 -0.201 0.000 1.104 288 T CB 1.412 70.174 68.868 -0.177 0.000 0.964 288 T HN 0.578 nan 8.240 nan 0.000 0.532 289 A N 4.324 126.679 122.820 -0.774 0.000 2.507 289 A HA 0.450 4.778 4.320 0.014 0.000 0.235 289 A C -1.679 175.431 177.584 -0.790 0.000 1.070 289 A CA -1.199 49.984 52.037 -1.424 0.000 0.768 289 A CB -0.826 16.971 19.000 -2.004 0.000 1.011 289 A HN 0.820 nan 8.150 nan 0.000 0.502 290 P HA 0.123 nan 4.420 nan 0.000 0.269 290 P C 0.774 177.877 177.300 -0.329 0.000 1.215 290 P CA 0.632 63.508 63.100 -0.373 0.000 0.780 290 P CB 0.672 32.220 31.700 -0.252 0.000 0.898 291 A N 2.834 125.532 122.820 -0.204 0.000 1.948 291 A HA -0.208 4.121 4.320 0.014 0.000 0.220 291 A C 2.146 179.652 177.584 -0.130 0.000 1.177 291 A CA 2.396 54.340 52.037 -0.155 0.000 0.636 291 A CB -1.831 17.107 19.000 -0.103 0.000 0.815 291 A HN 0.660 nan 8.150 nan 0.000 0.449 292 S N -1.157 114.490 115.700 -0.088 0.000 2.493 292 S HA -0.103 4.376 4.470 0.014 0.000 0.243 292 S C 1.617 176.201 174.600 -0.025 0.000 0.991 292 S CA 1.538 59.731 58.200 -0.011 0.000 0.957 292 S CB -0.261 63.021 63.200 0.136 0.000 0.756 292 S HN 0.448 nan 8.310 nan 0.000 0.521 293 M N 0.498 119.994 119.600 -0.175 0.000 2.657 293 M HA 0.372 4.861 4.480 0.014 0.000 0.262 293 M C 1.880 178.017 176.300 -0.272 0.000 1.213 293 M CA 0.598 55.735 55.300 -0.271 0.000 1.182 293 M CB -1.008 31.238 32.600 -0.590 0.000 1.303 293 M HN 0.301 nan 8.290 nan 0.000 0.501 294 L N -0.084 120.959 121.223 -0.300 0.000 2.362 294 L HA -0.152 4.197 4.340 0.014 0.000 0.219 294 L C 2.300 179.155 176.870 -0.025 0.000 1.134 294 L CA 0.407 55.164 54.840 -0.140 0.000 0.807 294 L CB -0.679 41.280 42.059 -0.167 0.000 0.927 294 L HN 0.161 nan 8.230 nan 0.000 0.447 295 I N -0.304 120.240 120.570 -0.044 0.000 2.399 295 I HA -0.149 4.030 4.170 0.014 0.000 0.254 295 I C 1.181 177.296 176.117 -0.002 0.000 1.146 295 I CA 1.236 62.519 61.300 -0.028 0.000 1.412 295 I CB -0.183 37.790 38.000 -0.046 0.000 1.076 295 I HN 0.227 nan 8.210 nan 0.000 0.432 296 G N -2.026 106.795 108.800 0.035 0.000 2.650 296 G HA2 0.228 4.197 3.960 0.014 0.000 0.310 296 G HA3 0.228 4.197 3.960 0.014 0.000 0.310 296 G C -1.520 173.410 174.900 0.049 0.000 1.270 296 G CA -0.664 44.452 45.100 0.026 0.000 0.810 296 G HN -0.112 nan 8.290 nan 0.000 0.493 297 D N 1.373 121.745 120.400 -0.046 0.000 2.571 297 D HA 0.363 5.012 4.640 0.014 0.000 0.231 297 D C 0.533 176.744 176.300 -0.149 0.000 1.133 297 D CA 1.045 54.942 54.000 -0.171 0.000 0.862 297 D CB 0.146 40.844 40.800 -0.170 0.000 1.179 297 D HN 0.564 nan 8.370 nan 0.000 0.474 298 H N -0.606 118.316 119.070 -0.247 0.000 2.960 298 H HA 0.459 5.024 4.556 0.014 0.000 0.323 298 H C -1.389 173.770 175.328 -0.281 0.000 1.326 298 H CA -0.894 55.028 56.048 -0.211 0.000 1.124 298 H CB 0.476 30.232 29.762 -0.010 0.000 1.853 298 H HN 0.307 nan 8.280 nan 0.000 0.536 299 Y N 0.333 120.909 120.300 0.460 0.000 2.477 299 Y HA 0.322 4.881 4.550 0.015 0.000 0.347 299 Y C -0.336 175.863 175.900 0.497 0.000 0.981 299 Y CA -1.062 57.298 58.100 0.434 0.000 1.033 299 Y CB 2.084 40.611 38.460 0.111 0.000 1.245 299 Y HN 0.480 nan 8.280 nan 0.000 0.455 300 L N 3.893 125.514 121.223 0.662 0.000 2.361 300 L HA 0.285 4.634 4.340 0.014 0.000 0.278 300 L C 0.544 177.482 176.870 0.113 0.000 1.113 300 L CA 0.053 54.946 54.840 0.088 0.000 0.849 300 L CB 0.162 42.230 42.059 0.014 0.000 1.155 300 L HN 1.016 nan 8.230 nan 0.000 0.452 301 C N 0.856 120.066 119.300 -0.149 0.000 3.580 301 C HA 0.577 5.046 4.460 0.014 0.000 0.337 301 C C 0.163 175.018 174.990 -0.224 0.000 1.412 301 C CA -0.247 58.596 59.018 -0.292 0.000 1.797 301 C CB -0.982 26.637 27.740 -0.201 0.000 2.470 301 C HN 0.859 nan 8.230 nan 0.000 0.691 302 D N 0.082 120.387 120.400 -0.158 0.000 2.977 302 D HA 0.551 5.200 4.640 0.014 0.000 0.220 302 D C -1.465 174.598 176.300 -0.396 0.000 1.267 302 D CA -0.135 53.795 54.000 -0.117 0.000 0.884 302 D CB 2.232 42.928 40.800 -0.173 0.000 1.667 302 D HN 0.020 nan 8.370 nan 0.000 0.536 303 V N 3.200 122.811 119.914 -0.506 0.000 2.407 303 V HA 0.631 4.759 4.120 0.014 0.000 0.291 303 V C -0.451 175.249 176.094 -0.657 0.000 1.018 303 V CA -0.394 61.334 62.300 -0.952 0.000 0.842 303 V CB 1.768 32.413 31.823 -1.963 0.000 0.996 303 V HN 0.724 nan 8.190 nan 0.000 0.426 304 T N 3.875 118.121 114.554 -0.513 0.000 2.949 304 T HA 0.327 4.686 4.350 0.014 0.000 0.300 304 T C -0.844 173.702 174.700 -0.256 0.000 0.988 304 T CA -0.431 61.531 62.100 -0.229 0.000 0.993 304 T CB 0.760 69.579 68.868 -0.081 0.000 0.984 304 T HN 0.540 nan 8.240 nan 0.000 0.442 305 W N 2.620 123.858 121.300 -0.104 0.000 2.368 305 W HA 0.449 5.117 4.660 0.014 0.000 0.316 305 W C 1.181 177.588 176.519 -0.186 0.000 1.375 305 W CA -0.383 56.900 57.345 -0.102 0.000 1.261 305 W CB 0.530 30.015 29.460 0.041 0.000 1.298 305 W HN 0.886 nan 8.180 nan 0.000 0.539 306 A N 2.632 125.321 122.820 -0.219 0.000 1.871 306 A HA 0.120 4.449 4.320 0.014 0.000 0.211 306 A C 1.083 178.587 177.584 -0.133 0.000 1.207 306 A CA 1.720 53.349 52.037 -0.681 0.000 0.620 306 A CB -0.477 17.672 19.000 -1.418 0.000 0.860 306 A HN 0.524 nan 8.150 nan 0.000 0.450 307 T N -5.848 108.737 114.554 0.052 0.000 2.626 307 T HA 0.371 4.730 4.350 0.014 0.000 0.279 307 T C 0.382 175.244 174.700 0.271 0.000 0.983 307 T CA -0.364 61.824 62.100 0.147 0.000 1.059 307 T CB 0.685 69.617 68.868 0.108 0.000 1.396 307 T HN -0.012 nan 8.240 nan 0.000 0.519 308 Q N 0.424 120.351 119.800 0.212 0.000 2.170 308 Q HA 0.013 4.362 4.340 0.014 0.000 0.203 308 Q C 0.907 177.149 176.000 0.404 0.000 0.976 308 Q CA 1.649 57.587 55.803 0.225 0.000 0.858 308 Q CB -0.186 28.643 28.738 0.152 0.000 0.907 308 Q HN 0.814 nan 8.270 nan 0.000 0.433 309 E N -0.323 120.103 120.200 0.376 0.000 2.887 309 E HA 0.192 4.550 4.350 0.014 0.000 0.206 309 E C -0.307 176.535 176.600 0.402 0.000 0.983 309 E CA -0.164 56.461 56.400 0.375 0.000 1.141 309 E CB 0.934 30.748 29.700 0.190 0.000 1.061 309 E HN -0.042 nan 8.360 nan 0.000 0.468 310 R N 1.560 122.329 120.500 0.448 0.000 2.532 310 R HA 0.535 4.883 4.340 0.014 0.000 0.297 310 R C -1.684 174.625 176.300 0.015 0.000 0.984 310 R CA -0.495 55.741 56.100 0.227 0.000 0.884 310 R CB 1.220 31.536 30.300 0.026 0.000 1.182 310 R HN 0.105 nan 8.270 nan 0.000 0.442 311 I N 3.300 123.684 120.570 -0.310 0.000 2.545 311 I HA 0.386 4.565 4.170 0.014 0.000 0.292 311 I C -0.879 174.880 176.117 -0.597 0.000 1.040 311 I CA -0.511 60.313 61.300 -0.793 0.000 1.068 311 I CB 2.237 39.219 38.000 -1.697 0.000 1.251 311 I HN 0.848 nan 8.210 nan 0.000 0.424 312 S N 7.475 122.833 115.700 -0.570 0.000 2.475 312 S HA 0.790 5.268 4.470 0.014 0.000 0.298 312 S C -0.959 173.305 174.600 -0.560 0.000 1.119 312 S CA -0.679 57.259 58.200 -0.437 0.000 1.085 312 S CB 1.614 64.662 63.200 -0.253 0.000 1.028 312 S HN 0.489 nan 8.310 nan 0.000 0.489 313 L N 2.193 123.095 121.223 -0.534 0.000 2.386 313 L HA 0.531 4.880 4.340 0.014 0.000 0.271 313 L C -0.191 176.339 176.870 -0.567 0.000 0.993 313 L CA -0.496 53.911 54.840 -0.722 0.000 0.819 313 L CB 2.081 43.559 42.059 -0.968 0.000 1.294 313 L HN 0.697 nan 8.230 nan 0.000 0.414 314 Q N 1.870 121.300 119.800 -0.617 0.000 2.322 314 Q HA 0.439 4.788 4.340 0.014 0.000 0.265 314 Q C -1.739 173.986 176.000 -0.458 0.000 0.985 314 Q CA -0.527 55.040 55.803 -0.394 0.000 0.849 314 Q CB 1.982 30.560 28.738 -0.266 0.000 1.274 314 Q HN 0.468 nan 8.270 nan 0.000 0.449 315 W N 2.684 123.910 121.300 -0.122 0.000 2.606 315 W HA 0.595 5.264 4.660 0.015 0.000 0.332 315 W C -0.593 175.921 176.519 -0.008 0.000 1.052 315 W CA -0.520 56.797 57.345 -0.047 0.000 1.223 315 W CB 1.144 30.541 29.460 -0.104 0.000 1.383 315 W HN 0.318 nan 8.180 nan 0.000 0.524 316 L N 3.354 124.774 121.223 0.328 0.000 2.346 316 L HA 0.544 4.892 4.340 0.014 0.000 0.276 316 L C 0.478 177.547 176.870 0.331 0.000 1.006 316 L CA -1.165 53.838 54.840 0.271 0.000 0.817 316 L CB 1.440 43.653 42.059 0.256 0.000 1.272 316 L HN 0.464 nan 8.230 nan 0.000 0.421 317 R N 1.699 122.360 120.500 0.268 0.000 2.707 317 R HA 0.104 4.453 4.340 0.014 0.000 0.270 317 R C 0.876 177.291 176.300 0.192 0.000 1.083 317 R CA -0.229 55.999 56.100 0.214 0.000 1.182 317 R CB 0.756 31.177 30.300 0.201 0.000 1.084 317 R HN 0.599 nan 8.270 nan 0.000 0.528 318 R N 1.173 121.707 120.500 0.057 0.000 2.081 318 R HA -0.048 4.300 4.340 0.014 0.000 0.235 318 R C 0.459 176.842 176.300 0.139 0.000 1.131 318 R CA 1.221 57.358 56.100 0.061 0.000 0.960 318 R CB -0.095 30.164 30.300 -0.068 0.000 0.856 318 R HN 0.482 nan 8.270 nan 0.000 0.436 319 I N 2.680 123.304 120.570 0.090 0.000 2.460 319 I HA -0.027 4.152 4.170 0.014 0.000 0.297 319 I C 0.236 176.417 176.117 0.108 0.000 1.139 319 I CA 0.431 61.778 61.300 0.079 0.000 1.340 319 I CB 0.972 39.004 38.000 0.054 0.000 1.444 319 I HN 0.219 nan 8.210 nan 0.000 0.557 320 Q N 4.894 124.749 119.800 0.093 0.000 2.380 320 Q HA -0.023 4.326 4.340 0.014 0.000 0.254 320 Q C 0.634 176.714 176.000 0.133 0.000 0.927 320 Q CA -0.052 55.816 55.803 0.109 0.000 0.950 320 Q CB -0.356 28.395 28.738 0.022 0.000 1.206 320 Q HN 0.682 nan 8.270 nan 0.000 0.414 321 N N -0.780 118.004 118.700 0.141 0.000 2.187 321 N HA -0.046 4.703 4.740 0.014 0.000 0.212 321 N C -0.989 174.637 175.510 0.192 0.000 1.152 321 N CA -0.186 52.945 53.050 0.135 0.000 0.872 321 N CB 0.349 38.890 38.487 0.090 0.000 1.025 321 N HN 0.218 nan 8.380 nan 0.000 0.514 322 Y N 1.270 121.602 120.300 0.053 0.000 2.332 322 Y HA 0.528 5.087 4.550 0.015 0.000 0.325 322 Y C -1.080 174.857 175.900 0.062 0.000 1.054 322 Y CA -0.955 57.173 58.100 0.046 0.000 1.119 322 Y CB 1.302 39.781 38.460 0.033 0.000 1.168 322 Y HN 0.144 nan 8.280 nan 0.000 0.439 323 S N 4.356 119.879 115.700 -0.294 0.000 2.599 323 S HA 0.942 5.421 4.470 0.014 0.000 0.294 323 S C -1.795 172.595 174.600 -0.351 0.000 1.094 323 S CA -0.697 57.384 58.200 -0.198 0.000 0.931 323 S CB 2.027 65.190 63.200 -0.063 0.000 1.093 323 S HN 0.470 nan 8.310 nan 0.000 0.488 324 V N 2.291 122.115 119.914 -0.150 0.000 2.789 324 V HA 0.557 4.686 4.120 0.014 0.000 0.311 324 V C -0.660 175.424 176.094 -0.016 0.000 1.073 324 V CA -0.700 61.534 62.300 -0.111 0.000 0.921 324 V CB 1.967 33.749 31.823 -0.068 0.000 1.009 324 V HN 1.029 nan 8.190 nan 0.000 0.426 325 M N 3.533 123.107 119.600 -0.043 0.000 2.114 325 M HA 0.499 4.987 4.480 0.014 0.000 0.332 325 M C -1.240 175.051 176.300 -0.016 0.000 1.014 325 M CA -0.415 54.840 55.300 -0.077 0.000 0.956 325 M CB 1.046 33.539 32.600 -0.177 0.000 1.551 325 M HN 0.608 nan 8.290 nan 0.000 0.427 326 D N 4.861 125.250 120.400 -0.018 0.000 2.210 326 D HA 0.418 5.067 4.640 0.014 0.000 0.249 326 D C -1.006 175.244 176.300 -0.083 0.000 1.078 326 D CA 0.039 54.028 54.000 -0.018 0.000 0.875 326 D CB 1.474 42.288 40.800 0.023 0.000 1.175 326 D HN 0.547 nan 8.370 nan 0.000 0.440 327 I N 2.643 123.193 120.570 -0.034 0.000 2.355 327 I HA 0.189 4.367 4.170 0.014 0.000 0.288 327 I C -0.561 175.537 176.117 -0.032 0.000 0.999 327 I CA -0.268 60.998 61.300 -0.057 0.000 1.163 327 I CB 1.028 39.038 38.000 0.016 0.000 1.316 327 I HN 0.273 nan 8.210 nan 0.000 0.454 328 c N 4.226 122.794 118.600 -0.054 0.000 2.319 328 c HA 0.527 5.106 4.570 0.014 0.000 0.323 328 c C -0.302 173.918 174.090 0.217 0.000 1.277 328 c CA -0.938 55.429 56.329 0.064 0.000 1.517 328 c CB 0.234 42.766 42.510 0.038 0.000 2.206 328 c HN 0.599 nan 8.230 nan 0.000 0.486 329 D N 0.801 121.299 120.400 0.163 0.000 2.175 329 D HA 0.308 4.957 4.640 0.014 0.000 0.248 329 D C -0.380 175.835 176.300 -0.142 0.000 1.047 329 D CA -0.123 53.928 54.000 0.085 0.000 0.883 329 D CB 0.636 41.441 40.800 0.010 0.000 1.180 329 D HN 0.591 nan 8.370 nan 0.000 0.438 330 Y N 1.456 121.323 120.300 -0.721 0.000 2.411 330 Y HA 0.209 4.768 4.550 0.015 0.000 0.333 330 Y C -0.216 175.353 175.900 -0.552 0.000 1.186 330 Y CA -0.005 57.328 58.100 -1.278 0.000 1.381 330 Y CB 0.740 38.373 38.460 -1.377 0.000 1.273 330 Y HN 0.266 nan 8.280 nan 0.000 0.546 331 D N 3.940 123.599 120.400 -1.235 0.000 2.391 331 D HA 0.168 4.817 4.640 0.014 0.000 0.245 331 D C 0.372 176.224 176.300 -0.747 0.000 1.069 331 D CA -0.450 53.124 54.000 -0.710 0.000 0.831 331 D CB 1.651 42.188 40.800 -0.438 0.000 1.204 331 D HN 0.657 nan 8.370 nan 0.000 0.503 332 E N 1.576 121.587 120.200 -0.315 0.000 2.007 332 E HA -0.160 4.199 4.350 0.014 0.000 0.194 332 E C 1.666 178.205 176.600 -0.102 0.000 0.999 332 E CA 1.957 58.291 56.400 -0.109 0.000 0.811 332 E CB -0.045 29.651 29.700 -0.007 0.000 0.762 332 E HN 0.504 nan 8.360 nan 0.000 0.450 333 S N -1.206 114.436 115.700 -0.096 0.000 2.537 333 S HA -0.035 4.444 4.470 0.014 0.000 0.240 333 S C 1.524 176.082 174.600 -0.071 0.000 0.981 333 S CA 1.099 59.262 58.200 -0.062 0.000 0.948 333 S CB 0.063 63.232 63.200 -0.051 0.000 0.759 333 S HN 0.121 nan 8.310 nan 0.000 0.531 334 S N -0.484 115.140 115.700 -0.126 0.000 2.679 334 S HA 0.509 4.987 4.470 0.014 0.000 0.258 334 S C 1.168 175.698 174.600 -0.117 0.000 1.068 334 S CA -0.106 58.030 58.200 -0.107 0.000 1.115 334 S CB 0.626 63.757 63.200 -0.115 0.000 1.078 334 S HN 0.951 nan 8.310 nan 0.000 0.603 335 G N 2.514 111.187 108.800 -0.211 0.000 2.258 335 G HA2 -0.288 3.681 3.960 0.014 0.000 0.274 335 G HA3 -0.288 3.681 3.960 0.014 0.000 0.274 335 G C 0.062 174.862 174.900 -0.167 0.000 1.021 335 G CA 0.541 45.555 45.100 -0.143 0.000 0.798 335 G HN 0.445 nan 8.290 nan 0.000 0.507 336 R N -2.300 117.966 120.500 -0.389 0.000 3.029 336 R HA 0.712 5.061 4.340 0.014 0.000 0.239 336 R C -1.076 174.977 176.300 -0.411 0.000 1.351 336 R CA -0.967 55.029 56.100 -0.173 0.000 1.052 336 R CB 0.982 31.250 30.300 -0.054 0.000 1.354 336 R HN 0.154 nan 8.270 nan 0.000 0.499 337 W N 0.370 121.610 121.300 -0.099 0.000 2.538 337 W HA 0.418 5.087 4.660 0.015 0.000 0.322 337 W C -0.774 175.695 176.519 -0.084 0.000 1.028 337 W CA -0.336 56.956 57.345 -0.088 0.000 1.228 337 W CB 1.312 30.743 29.460 -0.049 0.000 1.356 337 W HN 0.371 nan 8.180 nan 0.000 0.452 338 N N 1.978 120.727 118.700 0.081 0.000 2.392 338 N HA 0.488 5.236 4.740 0.014 0.000 0.283 338 N C -1.358 174.177 175.510 0.042 0.000 1.003 338 N CA -0.614 52.456 53.050 0.033 0.000 0.892 338 N CB 1.160 39.632 38.487 -0.026 0.000 1.193 338 N HN 0.225 nan 8.380 nan 0.000 0.487 339 c N 3.258 121.871 118.600 0.021 0.000 2.185 339 c HA 0.312 4.890 4.570 0.014 0.000 0.357 339 c C 0.297 174.382 174.090 -0.008 0.000 1.053 339 c CA -0.982 55.351 56.329 0.006 0.000 1.552 339 c CB -1.792 40.712 42.510 -0.011 0.000 1.679 339 c HN 0.662 nan 8.230 nan 0.000 0.453 340 L N 2.383 123.604 121.223 -0.003 0.000 2.806 340 L HA -0.101 4.248 4.340 0.014 0.000 0.282 340 L C 1.667 178.526 176.870 -0.018 0.000 1.166 340 L CA 0.861 55.696 54.840 -0.010 0.000 0.969 340 L CB 0.202 42.260 42.059 -0.000 0.000 1.304 340 L HN 0.621 nan 8.230 nan 0.000 0.474 341 V N 4.299 124.195 119.914 -0.029 0.000 2.380 341 V HA -0.375 3.754 4.120 0.014 0.000 0.251 341 V C 2.250 178.319 176.094 -0.043 0.000 1.063 341 V CA 2.095 64.373 62.300 -0.038 0.000 1.055 341 V CB -0.734 31.065 31.823 -0.040 0.000 0.657 341 V HN 1.057 nan 8.190 nan 0.000 0.455 342 A N -0.605 122.192 122.820 -0.038 0.000 1.978 342 A HA -0.223 4.105 4.320 0.014 0.000 0.220 342 A C 2.273 179.814 177.584 -0.072 0.000 1.170 342 A CA 1.535 53.543 52.037 -0.048 0.000 0.636 342 A CB -0.492 18.489 19.000 -0.032 0.000 0.810 342 A HN 0.497 nan 8.150 nan 0.000 0.448 343 R N -0.179 120.298 120.500 -0.038 0.000 2.328 343 R HA 0.059 4.407 4.340 0.014 0.000 0.200 343 R C 0.012 176.301 176.300 -0.018 0.000 0.983 343 R CA -0.005 56.092 56.100 -0.006 0.000 1.062 343 R CB -0.059 30.280 30.300 0.065 0.000 0.956 343 R HN 0.656 nan 8.270 nan 0.000 0.479 344 Q N 0.373 120.122 119.800 -0.085 0.000 2.332 344 Q HA 0.066 4.415 4.340 0.014 0.000 0.263 344 Q C -0.654 175.231 176.000 -0.192 0.000 0.979 344 Q CA 0.390 56.156 55.803 -0.062 0.000 0.885 344 Q CB 0.870 29.575 28.738 -0.056 0.000 1.218 344 Q HN 0.242 nan 8.270 nan 0.000 0.405 345 H N 3.239 122.280 119.070 -0.048 0.000 2.587 345 H HA 0.314 4.878 4.556 0.015 0.000 0.325 345 H C -0.484 174.781 175.328 -0.104 0.000 1.012 345 H CA -0.489 55.527 56.048 -0.053 0.000 1.213 345 H CB 0.805 30.511 29.762 -0.092 0.000 1.431 345 H HN 0.485 nan 8.280 nan 0.000 0.492 346 I N 2.562 123.121 120.570 -0.018 0.000 2.395 346 I HA 0.065 4.243 4.170 0.014 0.000 0.289 346 I C 0.567 176.637 176.117 -0.078 0.000 1.023 346 I CA 0.193 61.414 61.300 -0.132 0.000 1.350 346 I CB 0.931 38.851 38.000 -0.133 0.000 1.409 346 I HN 0.490 nan 8.210 nan 0.000 0.507 347 E N 8.384 128.494 120.200 -0.150 0.000 2.185 347 E HA 0.508 4.867 4.350 0.014 0.000 0.261 347 E C -0.958 175.578 176.600 -0.107 0.000 0.879 347 E CA -0.715 55.643 56.400 -0.070 0.000 0.756 347 E CB 1.191 30.869 29.700 -0.037 0.000 1.152 347 E HN 0.610 nan 8.360 nan 0.000 0.416 348 M N 1.356 120.944 119.600 -0.021 0.000 2.788 348 M HA 0.692 5.181 4.480 0.014 0.000 0.291 348 M C -0.907 175.424 176.300 0.052 0.000 1.213 348 M CA -0.964 54.365 55.300 0.048 0.000 0.768 348 M CB 2.125 34.830 32.600 0.176 0.000 1.766 348 M HN 0.281 nan 8.290 nan 0.000 0.460 349 S N -0.357 115.378 115.700 0.060 0.000 2.592 349 S HA 0.393 4.872 4.470 0.014 0.000 0.275 349 S C -0.006 174.604 174.600 0.015 0.000 1.169 349 S CA 0.011 58.224 58.200 0.022 0.000 0.958 349 S CB 1.488 64.677 63.200 -0.019 0.000 1.095 349 S HN 0.943 nan 8.310 nan 0.000 0.471 350 T N 0.011 114.572 114.554 0.011 0.000 3.060 350 T HA 0.100 4.458 4.350 0.014 0.000 0.249 350 T C 1.293 175.986 174.700 -0.012 0.000 1.079 350 T CA 0.953 63.057 62.100 0.007 0.000 1.013 350 T CB -0.180 68.695 68.868 0.012 0.000 0.975 350 T HN 0.684 nan 8.240 nan 0.000 0.518 351 T N -2.785 111.755 114.554 -0.023 0.000 3.040 351 T HA 0.653 5.012 4.350 0.014 0.000 0.266 351 T C 0.960 175.534 174.700 -0.210 0.000 1.005 351 T CA 0.270 62.355 62.100 -0.025 0.000 0.906 351 T CB 0.656 69.561 68.868 0.061 0.000 1.082 351 T HN 0.607 nan 8.240 nan 0.000 0.531 352 G N 0.709 109.254 108.800 -0.426 0.000 2.619 352 G HA2 0.469 4.437 3.960 0.014 0.000 0.146 352 G HA3 0.469 4.437 3.960 0.014 0.000 0.146 352 G C -1.862 172.818 174.900 -0.367 0.000 1.192 352 G CA -0.493 44.117 45.100 -0.817 0.000 1.063 352 G HN 0.513 nan 8.290 nan 0.000 0.538 353 W N -0.107 120.937 121.300 -0.428 0.000 2.576 353 W HA 0.797 5.465 4.660 0.014 0.000 0.360 353 W C -0.182 176.309 176.519 -0.047 0.000 1.109 353 W CA -1.483 55.757 57.345 -0.174 0.000 1.237 353 W CB 1.238 30.580 29.460 -0.197 0.000 1.369 353 W HN 0.512 nan 8.180 nan 0.000 0.609 354 V N 3.923 123.927 119.914 0.150 0.000 2.583 354 V HA 0.690 4.819 4.120 0.014 0.000 0.287 354 V C 0.606 176.789 176.094 0.150 0.000 1.051 354 V CA 0.931 63.274 62.300 0.070 0.000 1.010 354 V CB 0.134 31.991 31.823 0.057 0.000 0.988 354 V HN 1.734 nan 8.190 nan 0.000 0.478 355 G N 6.104 114.933 108.800 0.047 0.000 2.782 355 G HA2 -0.220 3.749 3.960 0.014 0.000 0.228 355 G HA3 -0.220 3.749 3.960 0.014 0.000 0.228 355 G C 0.268 175.247 174.900 0.132 0.000 1.372 355 G CA 0.401 45.556 45.100 0.092 0.000 0.862 355 G HN 0.878 nan 8.290 nan 0.000 0.547 356 R N -1.188 119.395 120.500 0.139 0.000 2.052 356 R HA 0.239 4.587 4.340 0.014 0.000 0.224 356 R C 1.941 178.237 176.300 -0.007 0.000 1.149 356 R CA 1.937 58.068 56.100 0.051 0.000 0.962 356 R CB -0.073 30.240 30.300 0.021 0.000 0.856 356 R HN 0.450 nan 8.270 nan 0.000 0.433 357 F N -0.437 119.675 119.950 0.270 0.000 2.767 357 F HA 0.282 4.817 4.527 0.014 0.000 0.323 357 F C 0.008 175.840 175.800 0.053 0.000 1.091 357 F CA -0.455 57.641 58.000 0.161 0.000 1.192 357 F CB 0.793 39.878 39.000 0.143 0.000 1.056 357 F HN -0.088 nan 8.300 nan 0.000 0.571 358 R N -1.134 119.504 120.500 0.230 0.000 2.825 358 R HA 0.322 4.671 4.340 0.014 0.000 0.274 358 R C -3.385 172.972 176.300 0.096 0.000 1.026 358 R CA -1.713 54.444 56.100 0.096 0.000 0.867 358 R CB 0.065 30.363 30.300 -0.002 0.000 1.268 358 R HN -0.365 nan 8.270 nan 0.000 0.491 359 P HA -0.080 nan 4.420 nan 0.000 0.265 359 P C -0.124 177.193 177.300 0.029 0.000 1.187 359 P CA 0.140 63.256 63.100 0.028 0.000 0.766 359 P CB 0.948 32.637 31.700 -0.019 0.000 0.820 360 S N 1.818 117.548 115.700 0.049 0.000 2.576 360 S HA 0.053 4.531 4.470 0.014 0.000 0.272 360 S C 0.373 174.987 174.600 0.024 0.000 1.352 360 S CA -0.568 57.676 58.200 0.074 0.000 1.021 360 S CB 0.034 63.300 63.200 0.110 0.000 0.887 360 S HN 0.502 nan 8.310 nan 0.000 0.542 361 E N 3.358 123.581 120.200 0.038 0.000 2.343 361 E HA 0.399 4.758 4.350 0.014 0.000 0.269 361 E C -2.744 173.810 176.600 -0.077 0.000 1.047 361 E CA -2.096 54.273 56.400 -0.052 0.000 0.874 361 E CB 0.164 29.829 29.700 -0.058 0.000 1.033 361 E HN 0.409 nan 8.360 nan 0.000 0.409 362 P HA 0.255 nan 4.420 nan 0.000 0.279 362 P C -0.742 176.394 177.300 -0.273 0.000 1.252 362 P CA -0.292 62.676 63.100 -0.220 0.000 0.811 362 P CB 0.725 32.005 31.700 -0.700 0.000 1.035 363 H N 1.167 120.248 119.070 0.018 0.000 2.727 363 H HA 0.322 4.886 4.556 0.015 0.000 0.330 363 H C -0.627 174.802 175.328 0.169 0.000 0.986 363 H CA -0.273 55.865 56.048 0.151 0.000 1.251 363 H CB 0.553 30.431 29.762 0.195 0.000 1.493 363 H HN 0.303 nan 8.280 nan 0.000 0.515 364 F N 2.021 122.162 119.950 0.319 0.000 2.394 364 F HA 0.098 4.633 4.527 0.014 0.000 0.340 364 F C 1.340 177.325 175.800 0.308 0.000 1.105 364 F CA -0.641 57.544 58.000 0.307 0.000 1.124 364 F CB 1.230 40.342 39.000 0.188 0.000 1.145 364 F HN 0.381 nan 8.300 nan 0.000 0.505 365 T N 1.125 115.974 114.554 0.493 0.000 2.903 365 T HA 0.034 4.392 4.350 0.014 0.000 0.314 365 T C 1.246 176.139 174.700 0.321 0.000 1.078 365 T CA -0.708 61.624 62.100 0.386 0.000 1.114 365 T CB 0.740 69.826 68.868 0.364 0.000 0.987 365 T HN 0.649 nan 8.240 nan 0.000 0.548 366 L N 1.481 122.848 121.223 0.240 0.000 2.021 366 L HA -0.188 4.161 4.340 0.014 0.000 0.215 366 L C 2.402 179.380 176.870 0.179 0.000 1.074 366 L CA 2.490 57.446 54.840 0.193 0.000 0.760 366 L CB -0.735 41.412 42.059 0.147 0.000 0.889 366 L HN 0.966 nan 8.230 nan 0.000 0.433 367 D N -1.117 119.388 120.400 0.175 0.000 2.350 367 D HA -0.051 4.597 4.640 0.014 0.000 0.216 367 D C 1.648 178.048 176.300 0.167 0.000 0.968 367 D CA 0.883 54.974 54.000 0.151 0.000 0.894 367 D CB -0.633 40.247 40.800 0.134 0.000 0.909 367 D HN 0.463 nan 8.370 nan 0.000 0.520 368 G N 0.860 109.800 108.800 0.233 0.000 2.168 368 G HA2 -0.346 3.622 3.960 0.014 0.000 0.257 368 G HA3 -0.346 3.622 3.960 0.014 0.000 0.257 368 G C 0.789 175.871 174.900 0.302 0.000 0.997 368 G CA 0.452 45.709 45.100 0.263 0.000 0.708 368 G HN 0.436 nan 8.290 nan 0.000 0.520 369 N N -0.061 118.794 118.700 0.258 0.000 2.336 369 N HA 0.158 4.907 4.740 0.014 0.000 0.189 369 N C 0.318 175.949 175.510 0.201 0.000 1.113 369 N CA 0.893 54.070 53.050 0.211 0.000 0.858 369 N CB 0.516 39.086 38.487 0.139 0.000 0.970 369 N HN 0.382 nan 8.380 nan 0.000 0.471 370 S N -0.037 115.819 115.700 0.260 0.000 2.556 370 S HA 0.663 5.142 4.470 0.014 0.000 0.271 370 S C -1.246 173.446 174.600 0.154 0.000 1.135 370 S CA -0.800 57.425 58.200 0.042 0.000 0.858 370 S CB 1.613 64.806 63.200 -0.012 0.000 1.114 370 S HN 0.245 nan 8.310 nan 0.000 0.468 371 F N -0.423 119.323 119.950 -0.341 0.000 2.668 371 F HA 0.788 5.324 4.527 0.014 0.000 0.309 371 F C -2.083 173.528 175.800 -0.314 0.000 1.117 371 F CA -1.285 56.461 58.000 -0.423 0.000 0.951 371 F CB 0.798 39.109 39.000 -1.148 0.000 1.323 371 F HN 0.486 nan 8.300 nan 0.000 0.451 372 Y N 1.391 121.770 120.300 0.131 0.000 2.352 372 Y HA 0.644 5.203 4.550 0.015 0.000 0.339 372 Y C -0.522 175.506 175.900 0.214 0.000 0.992 372 Y CA -0.821 57.355 58.100 0.127 0.000 1.100 372 Y CB 2.113 40.637 38.460 0.107 0.000 1.192 372 Y HN 0.695 nan 8.280 nan 0.000 0.458 373 K N 1.363 121.954 120.400 0.319 0.000 2.532 373 K HA 0.664 4.993 4.320 0.014 0.000 0.265 373 K C -1.662 175.053 176.600 0.192 0.000 0.948 373 K CA -0.783 55.665 56.287 0.268 0.000 0.842 373 K CB 1.811 34.430 32.500 0.198 0.000 1.392 373 K HN 0.550 nan 8.250 nan 0.000 0.436 374 I N 3.516 124.185 120.570 0.165 0.000 2.452 374 I HA 0.249 4.428 4.170 0.014 0.000 0.287 374 I C 0.053 176.248 176.117 0.130 0.000 1.079 374 I CA -0.289 61.090 61.300 0.131 0.000 1.387 374 I CB 0.035 38.107 38.000 0.119 0.000 1.404 374 I HN 0.603 nan 8.210 nan 0.000 0.522 375 I N 1.557 122.222 120.570 0.159 0.000 2.969 375 I HA 0.498 4.677 4.170 0.014 0.000 0.307 375 I C -0.246 175.998 176.117 0.212 0.000 1.149 375 I CA -0.874 60.526 61.300 0.166 0.000 1.008 375 I CB 2.045 40.155 38.000 0.182 0.000 1.232 375 I HN 0.233 nan 8.210 nan 0.000 0.435 376 S N 3.443 119.206 115.700 0.105 0.000 2.537 376 S HA 0.099 4.578 4.470 0.014 0.000 0.286 376 S C 0.155 174.817 174.600 0.103 0.000 1.299 376 S CA -0.481 57.737 58.200 0.030 0.000 1.067 376 S CB -0.166 62.981 63.200 -0.089 0.000 0.864 376 S HN 0.808 nan 8.310 nan 0.000 0.494 377 N N 2.625 121.279 118.700 -0.076 0.000 2.328 377 N HA 0.017 4.765 4.740 0.014 0.000 0.277 377 N C 1.102 176.482 175.510 -0.218 0.000 1.286 377 N CA -0.463 52.344 53.050 -0.405 0.000 0.949 377 N CB 0.142 38.073 38.487 -0.926 0.000 1.136 377 N HN 0.569 nan 8.380 nan 0.000 0.550 378 E N -0.538 119.511 120.200 -0.251 0.000 2.268 378 E HA -0.188 4.171 4.350 0.014 0.000 0.195 378 E C 0.440 176.955 176.600 -0.141 0.000 0.995 378 E CA 1.238 57.551 56.400 -0.145 0.000 0.836 378 E CB -0.568 29.059 29.700 -0.121 0.000 0.763 378 E HN 0.817 nan 8.360 nan 0.000 0.491 379 E N 0.270 120.376 120.200 -0.156 0.000 2.489 379 E HA 0.166 4.524 4.350 0.014 0.000 0.193 379 E C 0.783 177.254 176.600 -0.216 0.000 1.057 379 E CA 0.326 56.661 56.400 -0.108 0.000 0.866 379 E CB 0.068 29.780 29.700 0.020 0.000 0.916 379 E HN 0.496 nan 8.360 nan 0.000 0.500 380 G N 0.945 109.602 108.800 -0.240 0.000 2.159 380 G HA2 -0.305 3.663 3.960 0.014 0.000 0.256 380 G HA3 -0.305 3.663 3.960 0.014 0.000 0.256 380 G C -0.238 174.385 174.900 -0.462 0.000 0.977 380 G CA -0.010 44.874 45.100 -0.359 0.000 0.652 380 G HN 0.280 nan 8.290 nan 0.000 0.531 381 Y N 0.301 120.485 120.300 -0.193 0.000 2.308 381 Y HA 0.587 5.146 4.550 0.014 0.000 0.329 381 Y C 1.299 177.088 175.900 -0.184 0.000 1.111 381 Y CA -0.732 57.248 58.100 -0.199 0.000 1.179 381 Y CB 0.863 39.217 38.460 -0.176 0.000 1.201 381 Y HN 0.044 nan 8.280 nan 0.000 0.483 382 R N 3.938 124.364 120.500 -0.122 0.000 2.242 382 R HA 0.239 4.588 4.340 0.014 0.000 0.334 382 R C -0.768 175.338 176.300 -0.323 0.000 1.071 382 R CA -0.071 55.957 56.100 -0.121 0.000 0.922 382 R CB 0.024 30.280 30.300 -0.074 0.000 1.023 382 R HN 0.678 nan 8.270 nan 0.000 0.458 383 H N 1.970 121.065 119.070 0.042 0.000 2.907 383 H HA 0.352 4.917 4.556 0.014 0.000 0.361 383 H C -0.015 175.388 175.328 0.125 0.000 1.194 383 H CA -0.944 55.109 56.048 0.008 0.000 1.152 383 H CB 1.721 31.422 29.762 -0.101 0.000 1.867 383 H HN 0.306 nan 8.280 nan 0.000 0.561 384 I N 1.248 121.907 120.570 0.149 0.000 2.416 384 I HA 0.056 4.235 4.170 0.014 0.000 0.288 384 I C 0.261 176.341 176.117 -0.062 0.000 1.051 384 I CA 0.021 61.347 61.300 0.043 0.000 1.375 384 I CB 0.432 38.408 38.000 -0.041 0.000 1.407 384 I HN 0.125 nan 8.210 nan 0.000 0.516 385 c N 6.874 125.354 118.600 -0.199 0.000 2.322 385 c HA 0.326 4.905 4.570 0.014 0.000 0.324 385 c C -0.159 173.706 174.090 -0.375 0.000 1.284 385 c CA -0.600 55.380 56.329 -0.582 0.000 1.606 385 c CB 0.558 42.465 42.510 -1.006 0.000 2.251 385 c HN 0.705 nan 8.230 nan 0.000 0.502 386 Y N 4.788 124.707 120.300 -0.635 0.000 2.365 386 Y HA 0.537 5.096 4.550 0.015 0.000 0.340 386 Y C -0.741 174.648 175.900 -0.852 0.000 1.016 386 Y CA -0.303 57.351 58.100 -0.743 0.000 1.196 386 Y CB 0.259 38.367 38.460 -0.587 0.000 1.167 386 Y HN 0.658 nan 8.280 nan 0.000 0.509 387 F N 4.532 123.718 119.950 -1.274 0.000 2.450 387 F HA 0.345 4.880 4.527 0.014 0.000 0.332 387 F C -0.004 175.048 175.800 -1.247 0.000 1.093 387 F CA -0.624 56.603 58.000 -1.287 0.000 1.003 387 F CB 1.552 39.369 39.000 -1.972 0.000 1.151 387 F HN 0.390 nan 8.300 nan 0.000 0.474 388 Q N 3.298 122.758 119.800 -0.567 0.000 2.293 388 Q HA 0.283 4.632 4.340 0.014 0.000 0.261 388 Q C 0.878 176.879 176.000 0.001 0.000 0.960 388 Q CA -0.487 55.114 55.803 -0.337 0.000 0.882 388 Q CB 1.731 30.309 28.738 -0.266 0.000 1.275 388 Q HN 0.665 nan 8.270 nan 0.000 0.445 389 I N 2.189 122.830 120.570 0.118 0.000 2.185 389 I HA -0.269 3.910 4.170 0.014 0.000 0.246 389 I C 0.820 177.116 176.117 0.298 0.000 1.088 389 I CA 1.625 63.112 61.300 0.311 0.000 1.347 389 I CB -0.319 37.841 38.000 0.267 0.000 1.041 389 I HN 0.586 nan 8.210 nan 0.000 0.415 390 D N 1.754 122.242 120.400 0.146 0.000 2.460 390 D HA 0.092 4.740 4.640 0.014 0.000 0.229 390 D C 0.421 176.745 176.300 0.039 0.000 1.170 390 D CA 0.238 54.286 54.000 0.081 0.000 0.827 390 D CB 0.284 41.114 40.800 0.050 0.000 0.973 390 D HN 0.445 nan 8.370 nan 0.000 0.496 391 K N -1.133 119.303 120.400 0.061 0.000 2.568 391 K HA 0.261 4.589 4.320 0.014 0.000 0.273 391 K C 0.355 176.975 176.600 0.033 0.000 0.951 391 K CA -0.721 55.571 56.287 0.008 0.000 0.854 391 K CB 1.948 34.437 32.500 -0.018 0.000 1.424 391 K HN -0.351 nan 8.250 nan 0.000 0.427 392 K N 0.783 121.171 120.400 -0.019 0.000 2.031 392 K HA -0.004 4.324 4.320 0.014 0.000 0.205 392 K C -0.296 176.316 176.600 0.019 0.000 1.049 392 K CA 1.646 57.937 56.287 0.006 0.000 0.939 392 K CB -0.262 32.226 32.500 -0.021 0.000 0.717 392 K HN 0.653 nan 8.250 nan 0.000 0.438 393 D N 1.614 121.978 120.400 -0.060 0.000 2.348 393 D HA 0.010 4.658 4.640 0.014 0.000 0.259 393 D C 0.023 176.141 176.300 -0.302 0.000 1.296 393 D CA 0.022 53.938 54.000 -0.140 0.000 0.931 393 D CB -0.245 40.496 40.800 -0.099 0.000 1.067 393 D HN 0.364 nan 8.370 nan 0.000 0.503 394 c N 1.795 120.043 118.600 -0.587 0.000 2.604 394 c HA 0.673 5.252 4.570 0.014 0.000 0.396 394 c C 0.921 174.654 174.090 -0.595 0.000 1.282 394 c CA -0.881 54.875 56.329 -0.956 0.000 2.292 394 c CB 0.467 41.731 42.510 -2.077 0.000 2.633 394 c HN 0.614 nan 8.230 nan 0.000 0.620 395 T N 0.580 114.853 114.554 -0.468 0.000 2.824 395 T HA 0.574 4.933 4.350 0.014 0.000 0.280 395 T C -0.744 173.756 174.700 -0.332 0.000 0.995 395 T CA -0.408 61.541 62.100 -0.252 0.000 1.009 395 T CB 0.477 69.304 68.868 -0.068 0.000 0.955 395 T HN 0.567 nan 8.240 nan 0.000 0.452 396 F N 3.247 123.060 119.950 -0.229 0.000 2.443 396 F HA 0.337 4.873 4.527 0.014 0.000 0.353 396 F C 1.559 177.171 175.800 -0.313 0.000 1.101 396 F CA -0.761 57.094 58.000 -0.242 0.000 1.226 396 F CB 0.851 39.721 39.000 -0.217 0.000 1.140 396 F HN 0.674 nan 8.300 nan 0.000 0.557 397 I N -1.157 119.285 120.570 -0.215 0.000 4.070 397 I HA 0.225 4.403 4.170 0.014 0.000 0.328 397 I C 0.302 176.293 176.117 -0.210 0.000 1.298 397 I CA 0.037 61.037 61.300 -0.499 0.000 1.173 397 I CB 0.138 37.591 38.000 -0.911 0.000 1.051 397 I HN 0.472 nan 8.210 nan 0.000 0.409 398 T N -0.842 113.653 114.554 -0.099 0.000 2.924 398 T HA 0.645 5.004 4.350 0.014 0.000 0.291 398 T C -0.544 173.884 174.700 -0.455 0.000 1.045 398 T CA -0.720 61.328 62.100 -0.086 0.000 1.015 398 T CB 2.810 71.733 68.868 0.092 0.000 1.103 398 T HN 0.003 nan 8.240 nan 0.000 0.496 399 K N -0.100 119.893 120.400 -0.679 0.000 2.527 399 K HA 0.787 5.115 4.320 0.014 0.000 0.260 399 K C -0.278 175.670 176.600 -1.086 0.000 0.937 399 K CA -0.023 55.630 56.287 -1.057 0.000 0.826 399 K CB 1.857 34.065 32.500 -0.486 0.000 1.359 399 K HN 1.406 nan 8.250 nan 0.000 0.434 400 G N -0.226 107.885 108.800 -1.149 0.000 2.369 400 G HA2 0.003 3.972 3.960 0.014 0.000 0.307 400 G HA3 0.003 3.972 3.960 0.014 0.000 0.307 400 G C -0.990 173.312 174.900 -0.997 0.000 1.327 400 G CA -0.144 44.429 45.100 -0.878 0.000 0.963 400 G HN 0.512 nan 8.290 nan 0.000 0.590 401 T N -0.585 113.467 114.554 -0.836 0.000 3.629 401 T HA 0.600 4.959 4.350 0.014 0.000 0.317 401 T C 0.092 174.418 174.700 -0.624 0.000 1.690 401 T CA 0.295 61.663 62.100 -1.220 0.000 1.276 401 T CB -0.888 67.582 68.868 -0.663 0.000 1.205 401 T HN 1.432 nan 8.240 nan 0.000 0.824 402 W N -0.283 120.723 121.300 -0.489 0.000 2.895 402 W HA 0.672 5.341 4.660 0.016 0.000 0.377 402 W C -1.537 174.875 176.519 -0.179 0.000 1.191 402 W CA -1.016 56.212 57.345 -0.195 0.000 1.179 402 W CB 0.700 30.086 29.460 -0.124 0.000 1.469 402 W HN 0.190 nan 8.180 nan 0.000 0.577 403 E N 0.765 121.166 120.200 0.334 0.000 2.317 403 E HA 0.421 4.780 4.350 0.014 0.000 0.270 403 E C -1.132 175.629 176.600 0.267 0.000 0.885 403 E CA -1.132 55.304 56.400 0.060 0.000 0.760 403 E CB 3.419 33.170 29.700 0.086 0.000 1.227 403 E HN 0.173 nan 8.360 nan 0.000 0.434 404 V N 4.276 124.229 119.914 0.066 0.000 2.470 404 V HA -0.005 4.123 4.120 0.014 0.000 0.276 404 V C 1.200 177.392 176.094 0.165 0.000 1.040 404 V CA 0.104 62.494 62.300 0.150 0.000 1.008 404 V CB 0.469 32.282 31.823 -0.016 0.000 0.990 404 V HN 0.701 nan 8.190 nan 0.000 0.477 405 I N 3.251 123.940 120.570 0.198 0.000 2.480 405 I HA 0.247 4.426 4.170 0.014 0.000 0.251 405 I C 1.108 177.345 176.117 0.199 0.000 1.124 405 I CA 1.098 62.511 61.300 0.189 0.000 1.444 405 I CB -0.667 37.380 38.000 0.078 0.000 1.098 405 I HN 0.749 nan 8.210 nan 0.000 0.428 406 G N 0.899 109.817 108.800 0.197 0.000 2.702 406 G HA2 0.531 4.500 3.960 0.014 0.000 0.296 406 G HA3 0.531 4.500 3.960 0.014 0.000 0.296 406 G C -1.272 173.734 174.900 0.177 0.000 1.463 406 G CA -0.551 44.666 45.100 0.195 0.000 0.890 406 G HN -0.041 nan 8.290 nan 0.000 0.534 407 I N 1.698 122.325 120.570 0.095 0.000 2.325 407 I HA 0.265 4.444 4.170 0.014 0.000 0.291 407 I C 0.769 176.823 176.117 -0.105 0.000 1.019 407 I CA -0.523 60.716 61.300 -0.102 0.000 1.302 407 I CB 1.743 39.442 38.000 -0.502 0.000 1.401 407 I HN 0.484 nan 8.210 nan 0.000 0.485 408 E N 4.836 125.027 120.200 -0.014 0.000 2.244 408 E HA 0.341 4.699 4.350 0.014 0.000 0.196 408 E C 0.114 176.661 176.600 -0.089 0.000 0.939 408 E CA 0.241 56.683 56.400 0.071 0.000 0.884 408 E CB 0.828 30.664 29.700 0.226 0.000 0.850 408 E HN 0.688 nan 8.360 nan 0.000 0.481 409 A N 0.699 123.353 122.820 -0.277 0.000 2.594 409 A HA 0.582 4.911 4.320 0.014 0.000 0.296 409 A C -1.658 175.813 177.584 -0.188 0.000 1.056 409 A CA -0.787 51.033 52.037 -0.363 0.000 0.693 409 A CB 0.813 19.194 19.000 -1.031 0.000 1.278 409 A HN 0.117 nan 8.150 nan 0.000 0.408 410 L N 0.682 121.861 121.223 -0.074 0.000 2.410 410 L HA 0.967 5.316 4.340 0.014 0.000 0.270 410 L C -0.047 176.848 176.870 0.041 0.000 0.983 410 L CA -0.118 54.709 54.840 -0.023 0.000 0.822 410 L CB 2.253 44.283 42.059 -0.049 0.000 1.285 410 L HN 1.010 nan 8.230 nan 0.000 0.409 411 T N -0.730 113.863 114.554 0.065 0.000 2.876 411 T HA 0.346 4.704 4.350 0.014 0.000 0.277 411 T C 1.142 175.882 174.700 0.067 0.000 0.997 411 T CA -0.006 62.148 62.100 0.090 0.000 0.966 411 T CB 1.199 70.159 68.868 0.153 0.000 1.312 411 T HN 0.813 nan 8.240 nan 0.000 0.598 412 S N -0.391 115.346 115.700 0.062 0.000 2.428 412 S HA -0.063 4.415 4.470 0.014 0.000 0.230 412 S C 0.868 175.446 174.600 -0.037 0.000 1.014 412 S CA 1.271 59.493 58.200 0.036 0.000 0.957 412 S CB -0.848 62.377 63.200 0.041 0.000 0.784 412 S HN 0.799 nan 8.310 nan 0.000 0.499 413 D N -0.947 119.412 120.400 -0.068 0.000 2.379 413 D HA 0.230 4.879 4.640 0.014 0.000 0.218 413 D C -0.323 175.619 176.300 -0.597 0.000 1.006 413 D CA 0.360 54.182 54.000 -0.296 0.000 0.893 413 D CB 0.013 40.674 40.800 -0.231 0.000 1.019 413 D HN 0.509 nan 8.370 nan 0.000 0.503 414 Y N -0.301 119.924 120.300 -0.124 0.000 2.562 414 Y HA 0.436 4.995 4.550 0.015 0.000 0.345 414 Y C -1.007 174.679 175.900 -0.357 0.000 1.045 414 Y CA -1.405 56.523 58.100 -0.285 0.000 1.028 414 Y CB 2.090 40.264 38.460 -0.477 0.000 1.297 414 Y HN -0.184 nan 8.280 nan 0.000 0.463 415 L N 3.032 124.101 121.223 -0.256 0.000 2.313 415 L HA 0.514 4.862 4.340 0.014 0.000 0.283 415 L C -1.813 174.866 176.870 -0.318 0.000 1.013 415 L CA -0.939 53.725 54.840 -0.293 0.000 0.816 415 L CB 0.556 42.397 42.059 -0.364 0.000 1.236 415 L HN 0.668 nan 8.230 nan 0.000 0.419 416 Y N 5.954 126.173 120.300 -0.136 0.000 2.331 416 Y HA 0.504 5.063 4.550 0.014 0.000 0.338 416 Y C -0.171 175.719 175.900 -0.017 0.000 0.992 416 Y CA -0.449 57.575 58.100 -0.127 0.000 1.121 416 Y CB 1.315 39.629 38.460 -0.244 0.000 1.184 416 Y HN 0.570 nan 8.280 nan 0.000 0.469 417 Y N 0.564 120.917 120.300 0.088 0.000 2.609 417 Y HA 0.851 5.410 4.550 0.015 0.000 0.342 417 Y C -1.554 174.418 175.900 0.120 0.000 1.058 417 Y CA -2.019 56.125 58.100 0.073 0.000 1.055 417 Y CB 1.270 39.752 38.460 0.036 0.000 1.292 417 Y HN 0.402 nan 8.280 nan 0.000 0.476 418 I N 2.734 123.461 120.570 0.261 0.000 2.493 418 I HA 0.648 4.826 4.170 0.014 0.000 0.298 418 I C -0.587 175.706 176.117 0.293 0.000 0.998 418 I CA -0.563 60.839 61.300 0.169 0.000 1.137 418 I CB 2.094 40.136 38.000 0.071 0.000 1.310 418 I HN 0.888 nan 8.210 nan 0.000 0.445 419 S N 2.921 118.751 115.700 0.216 0.000 2.565 419 S HA 0.327 4.806 4.470 0.014 0.000 0.269 419 S C -0.762 173.865 174.600 0.045 0.000 1.153 419 S CA -0.982 57.313 58.200 0.159 0.000 0.835 419 S CB 1.598 64.881 63.200 0.139 0.000 1.122 419 S HN 0.649 nan 8.310 nan 0.000 0.462 420 N N 0.164 118.888 118.700 0.041 0.000 2.575 420 N HA 0.146 4.895 4.740 0.014 0.000 0.275 420 N C 0.439 175.923 175.510 -0.045 0.000 1.202 420 N CA -0.318 52.729 53.050 -0.004 0.000 0.945 420 N CB 0.370 38.855 38.487 -0.004 0.000 1.247 420 N HN 0.830 nan 8.380 nan 0.000 0.510 421 E N -0.122 119.920 120.200 -0.262 0.000 2.086 421 E HA -0.124 4.234 4.350 0.014 0.000 0.190 421 E C -0.366 176.108 176.600 -0.211 0.000 0.975 421 E CA -0.123 55.922 56.400 -0.591 0.000 0.813 421 E CB -0.045 28.701 29.700 -1.589 0.000 0.768 421 E HN 0.503 nan 8.360 nan 0.000 0.457 422 Y N 2.432 122.655 120.300 -0.127 0.000 2.729 422 Y HA -0.120 4.438 4.550 0.014 0.000 0.331 422 Y C 0.207 176.077 175.900 -0.049 0.000 1.208 422 Y CA 0.758 58.827 58.100 -0.052 0.000 1.521 422 Y CB 0.213 38.658 38.460 -0.025 0.000 1.233 422 Y HN 0.045 nan 8.280 nan 0.000 0.539 423 K N 4.132 124.197 120.400 -0.559 0.000 3.020 423 K HA -0.252 4.077 4.320 0.014 0.000 0.266 423 K C 0.790 177.294 176.600 -0.159 0.000 1.067 423 K CA 0.806 56.831 56.287 -0.436 0.000 0.780 423 K CB -1.846 30.298 32.500 -0.592 0.000 1.220 423 K HN 1.291 nan 8.250 nan 0.000 0.483 424 G N 0.612 109.349 108.800 -0.104 0.000 2.225 424 G HA2 -0.322 3.647 3.960 0.014 0.000 0.267 424 G HA3 -0.322 3.647 3.960 0.014 0.000 0.267 424 G C 0.057 174.923 174.900 -0.057 0.000 1.024 424 G CA 0.775 45.860 45.100 -0.025 0.000 0.784 424 G HN 0.348 nan 8.290 nan 0.000 0.507 425 M N -0.059 119.445 119.600 -0.161 0.000 2.080 425 M HA 0.230 4.718 4.480 0.014 0.000 0.350 425 M C -1.382 174.674 176.300 -0.406 0.000 1.143 425 M CA -1.928 53.123 55.300 -0.416 0.000 1.064 425 M CB 1.538 33.971 32.600 -0.278 0.000 1.429 425 M HN -0.154 nan 8.290 nan 0.000 0.418 426 P HA -0.111 nan 4.420 nan 0.000 0.219 426 P C 1.109 178.273 177.300 -0.227 0.000 1.146 426 P CA 1.089 64.011 63.100 -0.297 0.000 0.808 426 P CB 0.209 31.721 31.700 -0.315 0.000 0.779 427 G N -1.199 107.403 108.800 -0.330 0.000 3.609 427 G HA2 0.391 4.360 3.960 0.014 0.000 0.280 427 G HA3 0.391 4.360 3.960 0.014 0.000 0.280 427 G C 0.418 175.333 174.900 0.025 0.000 1.155 427 G CA -0.023 45.011 45.100 -0.110 0.000 0.876 427 G HN 0.358 nan 8.290 nan 0.000 0.535 428 G N -0.061 108.715 108.800 -0.039 0.000 2.473 428 G HA2 0.679 4.648 3.960 0.014 0.000 0.321 428 G HA3 0.679 4.648 3.960 0.014 0.000 0.321 428 G C -0.953 173.859 174.900 -0.146 0.000 1.200 428 G CA -0.815 44.293 45.100 0.014 0.000 0.963 428 G HN 0.100 nan 8.290 nan 0.000 0.483 429 R N 0.509 120.860 120.500 -0.250 0.000 2.574 429 R HA 0.399 4.747 4.340 0.014 0.000 0.288 429 R C -1.385 174.853 176.300 -0.102 0.000 1.004 429 R CA -0.813 55.098 56.100 -0.315 0.000 0.895 429 R CB 2.010 31.861 30.300 -0.748 0.000 1.191 429 R HN 0.676 nan 8.270 nan 0.000 0.444 430 N N 0.749 119.408 118.700 -0.067 0.000 2.277 430 N HA 0.360 5.109 4.740 0.014 0.000 0.286 430 N C -1.452 173.885 175.510 -0.287 0.000 1.140 430 N CA -0.785 52.141 53.050 -0.207 0.000 0.799 430 N CB 2.130 40.393 38.487 -0.373 0.000 1.596 430 N HN 0.243 nan 8.380 nan 0.000 0.473 431 L N 2.628 123.557 121.223 -0.489 0.000 2.290 431 L HA 0.435 4.783 4.340 0.014 0.000 0.284 431 L C -1.522 174.962 176.870 -0.643 0.000 1.078 431 L CA 0.085 54.662 54.840 -0.438 0.000 0.815 431 L CB -0.290 41.501 42.059 -0.447 0.000 1.162 431 L HN 0.506 nan 8.230 nan 0.000 0.435 432 Y N 4.073 124.017 120.300 -0.593 0.000 2.446 432 Y HA 0.477 5.036 4.550 0.015 0.000 0.345 432 Y C -0.224 175.340 175.900 -0.560 0.000 0.984 432 Y CA -0.836 56.861 58.100 -0.672 0.000 1.058 432 Y CB 1.591 39.411 38.460 -1.066 0.000 1.220 432 Y HN 0.505 nan 8.280 nan 0.000 0.455 433 K N 3.638 123.889 120.400 -0.248 0.000 2.182 433 K HA 0.721 5.050 4.320 0.014 0.000 0.262 433 K C -1.660 174.866 176.600 -0.122 0.000 0.957 433 K CA -0.628 55.447 56.287 -0.354 0.000 0.842 433 K CB 2.184 34.357 32.500 -0.544 0.000 1.099 433 K HN 0.805 nan 8.250 nan 0.000 0.438 434 I N 2.370 122.913 120.570 -0.045 0.000 2.436 434 I HA 0.117 4.296 4.170 0.014 0.000 0.289 434 I C -0.722 175.473 176.117 0.130 0.000 1.010 434 I CA -0.730 60.640 61.300 0.116 0.000 1.098 434 I CB 1.958 40.083 38.000 0.208 0.000 1.266 434 I HN 0.811 nan 8.210 nan 0.000 0.434 435 Q N 6.164 126.048 119.800 0.139 0.000 2.324 435 Q HA 0.106 4.455 4.340 0.014 0.000 0.257 435 Q C 0.303 176.232 176.000 -0.117 0.000 1.080 435 Q CA -0.525 55.252 55.803 -0.044 0.000 0.907 435 Q CB 0.988 29.718 28.738 -0.014 0.000 1.274 435 Q HN 0.764 nan 8.270 nan 0.000 0.434 436 L N 3.061 124.166 121.223 -0.198 0.000 2.263 436 L HA -0.199 4.149 4.340 0.014 0.000 0.216 436 L C 1.991 178.721 176.870 -0.232 0.000 1.111 436 L CA 1.844 56.614 54.840 -0.117 0.000 0.773 436 L CB -0.565 41.407 42.059 -0.144 0.000 0.906 436 L HN 0.681 nan 8.230 nan 0.000 0.439 437 S N -2.834 112.699 115.700 -0.278 0.000 2.575 437 S HA 0.152 4.631 4.470 0.014 0.000 0.215 437 S C 0.290 174.695 174.600 -0.324 0.000 0.966 437 S CA -0.051 57.980 58.200 -0.280 0.000 0.911 437 S CB 0.166 63.238 63.200 -0.213 0.000 0.780 437 S HN 0.395 nan 8.310 nan 0.000 0.514 438 D N -0.194 119.986 120.400 -0.366 0.000 2.349 438 D HA 0.129 4.778 4.640 0.014 0.000 0.224 438 D C -0.285 175.907 176.300 -0.179 0.000 1.323 438 D CA -0.482 53.332 54.000 -0.310 0.000 0.917 438 D CB -0.450 40.254 40.800 -0.160 0.000 1.524 438 D HN -0.059 nan 8.370 nan 0.000 0.505 439 Y N 1.178 121.457 120.300 -0.035 0.000 2.315 439 Y HA -0.100 4.459 4.550 0.014 0.000 0.288 439 Y C 2.529 178.438 175.900 0.015 0.000 1.154 439 Y CA 1.218 59.311 58.100 -0.011 0.000 1.229 439 Y CB -0.854 37.600 38.460 -0.010 0.000 0.980 439 Y HN 0.342 nan 8.280 nan 0.000 0.540 440 T N 0.111 114.737 114.554 0.121 0.000 2.929 440 T HA -0.108 4.251 4.350 0.014 0.000 0.271 440 T C 0.641 175.388 174.700 0.078 0.000 1.085 440 T CA 0.849 63.001 62.100 0.086 0.000 1.125 440 T CB -0.285 68.608 68.868 0.042 0.000 0.874 440 T HN 0.210 nan 8.240 nan 0.000 0.494 441 K N 1.991 122.434 120.400 0.072 0.000 2.266 441 K HA 0.447 4.775 4.320 0.014 0.000 0.274 441 K C -1.303 175.357 176.600 0.100 0.000 1.090 441 K CA -0.276 56.053 56.287 0.070 0.000 0.925 441 K CB 1.579 34.109 32.500 0.050 0.000 1.225 441 K HN -0.027 nan 8.250 nan 0.000 0.458 442 V N 2.260 122.233 119.914 0.099 0.000 2.524 442 V HA 0.228 4.356 4.120 0.014 0.000 0.297 442 V C -0.355 175.791 176.094 0.087 0.000 1.035 442 V CA -0.989 61.382 62.300 0.118 0.000 0.867 442 V CB 1.667 33.593 31.823 0.172 0.000 1.004 442 V HN 0.664 nan 8.190 nan 0.000 0.426 443 T N 2.017 116.583 114.554 0.021 0.000 2.767 443 T HA 0.275 4.634 4.350 0.014 0.000 0.284 443 T C -0.074 174.536 174.700 -0.150 0.000 0.973 443 T CA -0.360 61.708 62.100 -0.053 0.000 0.996 443 T CB 1.363 70.170 68.868 -0.102 0.000 0.927 443 T HN 0.732 nan 8.240 nan 0.000 0.456 444 C N 5.143 124.295 119.300 -0.246 0.000 2.540 444 C HA 0.299 4.767 4.460 0.014 0.000 0.377 444 C C 1.761 176.438 174.990 -0.521 0.000 1.274 444 C CA -0.580 58.046 59.018 -0.654 0.000 1.718 444 C CB -2.128 25.173 27.740 -0.731 0.000 2.391 444 C HN 0.988 nan 8.230 nan 0.000 0.565 445 L N 4.574 125.462 121.223 -0.558 0.000 2.478 445 L HA 0.034 4.382 4.340 0.014 0.000 0.223 445 L C 2.127 178.676 176.870 -0.534 0.000 1.140 445 L CA 1.181 55.759 54.840 -0.436 0.000 0.842 445 L CB -0.216 41.614 42.059 -0.382 0.000 0.953 445 L HN 0.906 nan 8.230 nan 0.000 0.452 446 S N -3.797 111.475 115.700 -0.714 0.000 2.651 446 S HA -0.006 4.472 4.470 0.014 0.000 0.259 446 S C 1.773 175.932 174.600 -0.734 0.000 1.073 446 S CA -0.161 57.483 58.200 -0.928 0.000 1.090 446 S CB -0.277 61.977 63.200 -1.575 0.000 1.042 446 S HN 0.268 nan 8.310 nan 0.000 0.581 447 C N 2.140 121.031 119.300 -0.681 0.000 2.376 447 C HA -0.009 4.459 4.460 0.014 0.000 0.275 447 C C 2.398 177.079 174.990 -0.515 0.000 1.200 447 C CA 1.630 60.203 59.018 -0.742 0.000 1.756 447 C CB -1.086 26.134 27.740 -0.867 0.000 2.050 447 C HN 0.681 nan 8.230 nan 0.000 0.460 448 E N -0.139 119.856 120.200 -0.342 0.000 2.476 448 E HA 0.185 4.543 4.350 0.014 0.000 0.196 448 E C 1.769 178.294 176.600 -0.124 0.000 1.029 448 E CA -0.130 56.160 56.400 -0.185 0.000 0.896 448 E CB -0.070 29.556 29.700 -0.124 0.000 1.012 448 E HN 0.560 nan 8.360 nan 0.000 0.475 449 L N 0.251 121.386 121.223 -0.146 0.000 2.131 449 L HA -0.045 4.304 4.340 0.014 0.000 0.210 449 L C 0.785 177.654 176.870 -0.003 0.000 1.092 449 L CA 0.740 55.538 54.840 -0.069 0.000 0.759 449 L CB -0.007 42.001 42.059 -0.085 0.000 0.903 449 L HN 0.122 nan 8.230 nan 0.000 0.435 450 N N -1.388 117.322 118.700 0.016 0.000 3.151 450 N HA 0.079 4.828 4.740 0.014 0.000 0.219 450 N C -2.237 173.276 175.510 0.004 0.000 1.434 450 N CA -0.719 52.337 53.050 0.010 0.000 0.767 450 N CB 1.137 39.631 38.487 0.011 0.000 1.564 450 N HN -0.251 nan 8.380 nan 0.000 0.612 451 P HA -0.122 nan 4.420 nan 0.000 0.218 451 P C 1.015 178.338 177.300 0.038 0.000 1.149 451 P CA 1.067 64.178 63.100 0.018 0.000 0.817 451 P CB 0.880 32.610 31.700 0.051 0.000 0.785 452 E N 0.565 120.775 120.200 0.017 0.000 2.016 452 E HA -0.186 4.173 4.350 0.014 0.000 0.190 452 E C 2.308 178.899 176.600 -0.014 0.000 0.985 452 E CA 0.934 57.339 56.400 0.008 0.000 0.802 452 E CB -0.080 29.618 29.700 -0.003 0.000 0.762 452 E HN 0.067 nan 8.360 nan 0.000 0.448 453 R N -0.723 119.753 120.500 -0.039 0.000 2.246 453 R HA 0.127 4.476 4.340 0.014 0.000 0.199 453 R C -0.232 176.004 176.300 -0.106 0.000 0.984 453 R CA 0.506 56.560 56.100 -0.077 0.000 1.015 453 R CB 0.049 30.291 30.300 -0.096 0.000 0.930 453 R HN 0.011 nan 8.270 nan 0.000 0.475 454 c N 0.949 119.489 118.600 -0.101 0.000 2.346 454 c HA 0.442 5.020 4.570 0.014 0.000 0.326 454 c C -0.298 173.719 174.090 -0.120 0.000 1.224 454 c CA -0.562 55.639 56.329 -0.214 0.000 1.408 454 c CB 1.491 43.823 42.510 -0.297 0.000 2.089 454 c HN 0.628 nan 8.230 nan 0.000 0.456 455 Q N 0.594 120.320 119.800 -0.123 0.000 1.988 455 Q HA 0.191 4.540 4.340 0.014 0.000 0.199 455 Q C -1.010 175.017 176.000 0.045 0.000 0.767 455 Q CA 0.051 55.863 55.803 0.015 0.000 0.966 455 Q CB 1.127 29.910 28.738 0.076 0.000 1.219 455 Q HN 0.798 nan 8.270 nan 0.000 0.432 456 Y N 0.537 120.699 120.300 -0.230 0.000 2.609 456 Y HA 0.367 4.926 4.550 0.014 0.000 0.350 456 Y C -1.585 174.165 175.900 -0.251 0.000 1.050 456 Y CA -0.929 57.071 58.100 -0.166 0.000 1.290 456 Y CB 0.536 38.917 38.460 -0.132 0.000 1.094 456 Y HN -0.051 nan 8.280 nan 0.000 0.583 457 Y N 1.845 122.028 120.300 -0.196 0.000 2.387 457 Y HA 0.582 5.141 4.550 0.015 0.000 0.330 457 Y C 0.538 176.339 175.900 -0.165 0.000 1.133 457 Y CA -0.351 57.654 58.100 -0.158 0.000 1.152 457 Y CB 1.886 40.228 38.460 -0.196 0.000 1.215 457 Y HN 0.466 nan 8.280 nan 0.000 0.466 458 S N 1.275 117.024 115.700 0.081 0.000 2.634 458 S HA 0.840 5.319 4.470 0.014 0.000 0.296 458 S C -1.588 173.056 174.600 0.073 0.000 1.104 458 S CA -0.758 57.483 58.200 0.068 0.000 0.920 458 S CB 1.845 65.103 63.200 0.096 0.000 1.111 458 S HN 0.613 nan 8.310 nan 0.000 0.493 459 V N 0.933 120.891 119.914 0.073 0.000 2.841 459 V HA 0.825 4.953 4.120 0.014 0.000 0.310 459 V C -0.957 175.209 176.094 0.120 0.000 1.090 459 V CA -0.228 62.087 62.300 0.026 0.000 0.930 459 V CB 2.137 33.875 31.823 -0.141 0.000 1.014 459 V HN 1.173 nan 8.190 nan 0.000 0.425 460 S N 5.891 121.675 115.700 0.139 0.000 2.552 460 S HA 0.729 5.208 4.470 0.014 0.000 0.314 460 S C -1.128 173.664 174.600 0.320 0.000 1.099 460 S CA -0.392 58.002 58.200 0.323 0.000 1.070 460 S CB 0.642 64.090 63.200 0.413 0.000 0.998 460 S HN 0.520 nan 8.310 nan 0.000 0.474 461 F N 3.035 123.088 119.950 0.172 0.000 2.379 461 F HA 0.441 4.977 4.527 0.016 0.000 0.332 461 F C 1.422 176.807 175.800 -0.692 0.000 1.096 461 F CA -0.353 57.575 58.000 -0.119 0.000 1.105 461 F CB 1.471 40.377 39.000 -0.156 0.000 1.189 461 F HN 0.695 nan 8.300 nan 0.000 0.515 462 S N 1.845 116.896 115.700 -1.082 0.000 2.598 462 S HA 0.067 4.546 4.470 0.014 0.000 0.256 462 S C 1.239 175.593 174.600 -0.409 0.000 1.350 462 S CA -0.608 56.751 58.200 -1.402 0.000 0.984 462 S CB 0.540 63.116 63.200 -1.039 0.000 0.930 462 S HN 0.679 nan 8.310 nan 0.000 0.577 463 K N 0.445 120.744 120.400 -0.169 0.000 2.113 463 K HA -0.122 4.206 4.320 0.014 0.000 0.208 463 K C 1.419 178.029 176.600 0.016 0.000 1.047 463 K CA 1.954 58.247 56.287 0.010 0.000 0.928 463 K CB -0.221 32.330 32.500 0.084 0.000 0.716 463 K HN 0.767 nan 8.250 nan 0.000 0.446 464 E N -1.450 118.749 120.200 -0.001 0.000 2.558 464 E HA 0.192 4.550 4.350 0.014 0.000 0.205 464 E C -0.312 176.280 176.600 -0.015 0.000 1.006 464 E CA 0.339 56.747 56.400 0.013 0.000 0.961 464 E CB 0.642 30.364 29.700 0.037 0.000 1.044 464 E HN 0.271 nan 8.360 nan 0.000 0.465 465 A N 0.795 123.589 122.820 -0.043 0.000 2.887 465 A HA -0.306 4.023 4.320 0.014 0.000 0.257 465 A C 1.434 179.027 177.584 0.015 0.000 1.372 465 A CA 1.407 53.455 52.037 0.017 0.000 0.879 465 A CB -2.002 16.916 19.000 -0.136 0.000 1.082 465 A HN 0.305 nan 8.150 nan 0.000 0.703 466 K N -1.592 118.743 120.400 -0.107 0.000 2.217 466 K HA 0.014 4.342 4.320 0.014 0.000 0.202 466 K C 0.116 176.378 176.600 -0.563 0.000 1.051 466 K CA 1.405 57.510 56.287 -0.303 0.000 0.952 466 K CB -0.029 32.244 32.500 -0.379 0.000 0.736 466 K HN 0.698 nan 8.250 nan 0.000 0.453 467 Y N -0.808 119.426 120.300 -0.110 0.000 2.598 467 Y HA 0.317 4.876 4.550 0.014 0.000 0.340 467 Y C -0.631 175.168 175.900 -0.168 0.000 1.038 467 Y CA -1.365 56.643 58.100 -0.154 0.000 1.100 467 Y CB 1.585 39.992 38.460 -0.087 0.000 1.281 467 Y HN -0.043 nan 8.280 nan 0.000 0.488 468 Y N -1.179 119.103 120.300 -0.029 0.000 2.544 468 Y HA 0.524 5.082 4.550 0.014 0.000 0.342 468 Y C -1.380 174.538 175.900 0.030 0.000 1.062 468 Y CA -1.403 56.532 58.100 -0.274 0.000 1.023 468 Y CB 1.540 39.294 38.460 -1.177 0.000 1.308 468 Y HN 0.575 nan 8.280 nan 0.000 0.457 469 Q N 3.514 123.452 119.800 0.230 0.000 2.293 469 Q HA 0.552 4.901 4.340 0.014 0.000 0.261 469 Q C -1.822 174.270 176.000 0.153 0.000 0.960 469 Q CA -0.799 55.092 55.803 0.147 0.000 0.882 469 Q CB 1.554 30.330 28.738 0.065 0.000 1.275 469 Q HN 0.964 nan 8.270 nan 0.000 0.445 470 L N 4.107 125.435 121.223 0.175 0.000 2.275 470 L HA 0.511 4.859 4.340 0.014 0.000 0.288 470 L C 0.069 176.971 176.870 0.052 0.000 1.046 470 L CA -0.451 54.474 54.840 0.142 0.000 0.805 470 L CB 1.340 43.499 42.059 0.166 0.000 1.193 470 L HN 0.528 nan 8.230 nan 0.000 0.426 471 R N 3.522 124.016 120.500 -0.010 0.000 2.239 471 R HA 0.295 4.644 4.340 0.014 0.000 0.332 471 R C -0.916 175.224 176.300 -0.266 0.000 0.988 471 R CA -0.467 55.445 56.100 -0.312 0.000 0.859 471 R CB 1.117 31.279 30.300 -0.231 0.000 1.148 471 R HN 0.723 nan 8.270 nan 0.000 0.482 472 c N 3.546 121.880 118.600 -0.443 0.000 2.347 472 c HA 0.385 4.963 4.570 0.014 0.000 0.353 472 c C 0.910 174.767 174.090 -0.388 0.000 1.273 472 c CA -0.280 55.680 56.329 -0.615 0.000 1.861 472 c CB 0.698 42.749 42.510 -0.764 0.000 2.420 472 c HN 0.957 nan 8.230 nan 0.000 0.542 473 S N 3.212 118.784 115.700 -0.212 0.000 2.523 473 S HA 0.516 4.995 4.470 0.014 0.000 0.217 473 S C 0.577 175.141 174.600 -0.060 0.000 0.996 473 S CA 0.365 58.513 58.200 -0.087 0.000 0.921 473 S CB 0.447 63.651 63.200 0.008 0.000 0.829 473 S HN 1.376 nan 8.310 nan 0.000 0.495 474 G N 1.679 110.424 108.800 -0.092 0.000 2.313 474 G HA2 0.309 4.278 3.960 0.014 0.000 0.296 474 G HA3 0.309 4.278 3.960 0.014 0.000 0.296 474 G C -2.993 171.868 174.900 -0.065 0.000 1.356 474 G CA -0.644 44.432 45.100 -0.040 0.000 0.833 474 G HN -0.187 nan 8.290 nan 0.000 0.552 475 P HA 0.136 nan 4.420 nan 0.000 0.231 475 P C 1.310 178.597 177.300 -0.022 0.000 1.168 475 P CA 1.222 64.334 63.100 0.020 0.000 0.779 475 P CB 0.276 31.988 31.700 0.020 0.000 0.844 476 G N 0.666 109.391 108.800 -0.125 0.000 2.653 476 G HA2 0.327 4.295 3.960 0.014 0.000 0.265 476 G HA3 0.327 4.295 3.960 0.014 0.000 0.265 476 G C -0.400 174.264 174.900 -0.394 0.000 1.237 476 G CA -0.466 44.481 45.100 -0.256 0.000 0.946 476 G HN -0.034 nan 8.290 nan 0.000 0.522 477 L N 1.055 121.968 121.223 -0.516 0.000 2.485 477 L HA 0.198 4.546 4.340 0.014 0.000 0.275 477 L C -1.727 175.025 176.870 -0.196 0.000 1.207 477 L CA -0.741 53.818 54.840 -0.468 0.000 0.855 477 L CB 0.012 41.861 42.059 -0.351 0.000 1.114 477 L HN 0.244 nan 8.230 nan 0.000 0.485 478 P HA 0.133 nan 4.420 nan 0.000 0.266 478 P C -0.970 176.309 177.300 -0.035 0.000 1.195 478 P CA -0.107 62.960 63.100 -0.055 0.000 0.768 478 P CB 0.591 32.353 31.700 0.102 0.000 0.838 479 L N 4.793 125.908 121.223 -0.181 0.000 2.409 479 L HA 0.499 4.848 4.340 0.014 0.000 0.272 479 L C -1.719 175.023 176.870 -0.212 0.000 0.980 479 L CA -0.603 54.184 54.840 -0.088 0.000 0.826 479 L CB 1.070 43.069 42.059 -0.099 0.000 1.268 479 L HN 0.253 nan 8.230 nan 0.000 0.407 480 Y N 2.769 123.025 120.300 -0.073 0.000 2.341 480 Y HA 0.727 5.285 4.550 0.012 0.000 0.338 480 Y C 0.291 176.072 175.900 -0.198 0.000 0.965 480 Y CA -0.508 57.525 58.100 -0.112 0.000 1.108 480 Y CB 2.248 40.623 38.460 -0.142 0.000 1.180 480 Y HN 0.673 nan 8.280 nan 0.000 0.458 481 T N 1.629 116.164 114.554 -0.031 0.000 2.903 481 T HA 0.593 4.952 4.350 0.014 0.000 0.299 481 T C -1.550 173.026 174.700 -0.206 0.000 1.093 481 T CA -0.918 61.097 62.100 -0.141 0.000 1.002 481 T CB 1.862 70.723 68.868 -0.012 0.000 1.127 481 T HN 0.485 nan 8.240 nan 0.000 0.488 482 L N 2.388 123.348 121.223 -0.439 0.000 2.329 482 L HA 0.546 4.895 4.340 0.014 0.000 0.279 482 L C -0.881 175.596 176.870 -0.656 0.000 1.014 482 L CA -0.554 54.058 54.840 -0.380 0.000 0.814 482 L CB 1.379 43.261 42.059 -0.295 0.000 1.257 482 L HN 0.875 nan 8.230 nan 0.000 0.424 483 H N 1.931 120.776 119.070 -0.374 0.000 2.679 483 H HA 0.260 4.825 4.556 0.014 0.000 0.360 483 H C -0.340 174.721 175.328 -0.444 0.000 1.105 483 H CA -0.590 55.111 56.048 -0.579 0.000 1.196 483 H CB 2.359 31.393 29.762 -1.213 0.000 1.636 483 H HN 0.572 nan 8.280 nan 0.000 0.531 484 S N 1.486 117.118 115.700 -0.114 0.000 2.562 484 S HA 0.180 4.659 4.470 0.014 0.000 0.275 484 S C 0.820 175.330 174.600 -0.150 0.000 1.281 484 S CA -0.518 57.612 58.200 -0.116 0.000 1.045 484 S CB 1.651 64.825 63.200 -0.042 0.000 0.962 484 S HN 0.566 nan 8.310 nan 0.000 0.503 485 S N 2.440 118.062 115.700 -0.131 0.000 2.335 485 S HA -0.102 4.376 4.470 0.014 0.000 0.217 485 S C 2.039 176.654 174.600 0.025 0.000 1.032 485 S CA 0.848 59.093 58.200 0.074 0.000 0.985 485 S CB -0.860 62.396 63.200 0.094 0.000 0.896 485 S HN 0.719 nan 8.310 nan 0.000 0.445 486 V N 4.283 124.175 119.914 -0.036 0.000 2.257 486 V HA -0.322 3.806 4.120 0.014 0.000 0.257 486 V C 1.793 177.882 176.094 -0.008 0.000 1.077 486 V CA 2.671 64.963 62.300 -0.013 0.000 1.063 486 V CB -0.672 31.132 31.823 -0.032 0.000 0.664 486 V HN 0.778 nan 8.190 nan 0.000 0.450 487 N N -2.695 115.996 118.700 -0.015 0.000 2.220 487 N HA 0.050 4.798 4.740 0.014 0.000 0.195 487 N C 0.543 176.048 175.510 -0.009 0.000 1.123 487 N CA 0.794 53.836 53.050 -0.012 0.000 0.874 487 N CB 0.209 38.690 38.487 -0.010 0.000 0.995 487 N HN 0.575 nan 8.380 nan 0.000 0.498 488 D N -0.090 120.317 120.400 0.012 0.000 3.079 488 D HA -0.176 4.473 4.640 0.014 0.000 0.214 488 D C -0.414 175.909 176.300 0.039 0.000 1.145 488 D CA 0.995 55.026 54.000 0.053 0.000 0.958 488 D CB -1.345 39.481 40.800 0.043 0.000 1.117 488 D HN 0.781 nan 8.370 nan 0.000 0.416 489 K N 0.482 120.891 120.400 0.015 0.000 2.319 489 K HA 0.423 4.752 4.320 0.014 0.000 0.265 489 K C 0.798 177.423 176.600 0.041 0.000 1.000 489 K CA 0.159 56.457 56.287 0.018 0.000 0.943 489 K CB 0.762 33.256 32.500 -0.009 0.000 0.950 489 K HN -0.017 nan 8.250 nan 0.000 0.485 490 G N 1.894 110.710 108.800 0.027 0.000 2.415 490 G HA2 0.303 4.272 3.960 0.014 0.000 0.269 490 G HA3 0.303 4.272 3.960 0.014 0.000 0.269 490 G C 0.212 174.979 174.900 -0.221 0.000 1.209 490 G CA -0.876 44.111 45.100 -0.188 0.000 0.835 490 G HN 0.649 nan 8.290 nan 0.000 0.534 491 L N 0.860 121.882 121.223 -0.335 0.000 2.356 491 L HA 0.399 4.748 4.340 0.014 0.000 0.193 491 L C 1.416 178.173 176.870 -0.188 0.000 1.087 491 L CA 0.420 55.137 54.840 -0.205 0.000 0.817 491 L CB 0.064 42.014 42.059 -0.182 0.000 1.035 491 L HN 0.721 nan 8.230 nan 0.000 0.482 492 R N -1.454 118.896 120.500 -0.250 0.000 2.690 492 R HA 0.411 4.760 4.340 0.014 0.000 0.269 492 R C -1.479 174.675 176.300 -0.243 0.000 1.037 492 R CA -0.855 55.124 56.100 -0.202 0.000 0.877 492 R CB 1.519 31.724 30.300 -0.158 0.000 1.255 492 R HN -0.270 nan 8.270 nan 0.000 0.467 493 V N 3.315 123.120 119.914 -0.183 0.000 2.479 493 V HA 0.055 4.183 4.120 0.014 0.000 0.281 493 V C 1.420 177.365 176.094 -0.248 0.000 1.031 493 V CA 0.037 62.232 62.300 -0.175 0.000 1.038 493 V CB 0.773 32.534 31.823 -0.104 0.000 0.981 493 V HN 0.653 nan 8.190 nan 0.000 0.478 494 L N 2.883 123.883 121.223 -0.371 0.000 2.168 494 L HA 0.229 4.578 4.340 0.014 0.000 0.203 494 L C 0.834 177.431 176.870 -0.455 0.000 1.078 494 L CA 0.808 55.227 54.840 -0.703 0.000 0.780 494 L CB 0.201 41.430 42.059 -1.382 0.000 0.939 494 L HN 0.690 nan 8.230 nan 0.000 0.451 495 E N -0.400 119.687 120.200 -0.187 0.000 2.321 495 E HA 0.114 4.473 4.350 0.014 0.000 0.281 495 E C -1.228 175.420 176.600 0.080 0.000 0.910 495 E CA -0.395 56.009 56.400 0.007 0.000 0.770 495 E CB 1.287 31.021 29.700 0.056 0.000 1.225 495 E HN 0.137 nan 8.360 nan 0.000 0.417 496 D N 2.945 123.375 120.400 0.050 0.000 2.520 496 D HA 0.111 4.760 4.640 0.014 0.000 0.223 496 D C -0.424 175.894 176.300 0.030 0.000 1.186 496 D CA -0.275 53.744 54.000 0.032 0.000 0.821 496 D CB -0.096 40.701 40.800 -0.005 0.000 1.072 496 D HN 0.442 nan 8.370 nan 0.000 0.518 497 N N 0.932 119.666 118.700 0.056 0.000 2.716 497 N HA -0.189 4.560 4.740 0.014 0.000 0.250 497 N C 0.868 176.391 175.510 0.021 0.000 1.033 497 N CA 0.947 54.026 53.050 0.049 0.000 0.727 497 N CB -1.272 37.245 38.487 0.050 0.000 0.950 497 N HN 0.482 nan 8.380 nan 0.000 0.541 498 S N -1.375 114.337 115.700 0.020 0.000 2.428 498 S HA 0.034 4.513 4.470 0.014 0.000 0.230 498 S C 2.071 176.687 174.600 0.027 0.000 1.014 498 S CA 0.701 58.908 58.200 0.012 0.000 0.957 498 S CB 0.014 63.219 63.200 0.009 0.000 0.784 498 S HN 0.532 nan 8.310 nan 0.000 0.499 499 A N 2.183 125.029 122.820 0.043 0.000 1.877 499 A HA 0.064 4.393 4.320 0.014 0.000 0.216 499 A C 2.189 179.820 177.584 0.078 0.000 1.186 499 A CA 1.508 53.580 52.037 0.059 0.000 0.620 499 A CB -0.919 18.120 19.000 0.064 0.000 0.822 499 A HN 0.452 nan 8.150 nan 0.000 0.443 500 L N 0.444 121.717 121.223 0.083 0.000 2.042 500 L HA -0.181 4.168 4.340 0.014 0.000 0.210 500 L C 1.912 178.816 176.870 0.056 0.000 1.076 500 L CA 2.743 57.645 54.840 0.103 0.000 0.749 500 L CB -0.888 41.233 42.059 0.103 0.000 0.893 500 L HN 0.532 nan 8.230 nan 0.000 0.432 501 D N -0.964 119.443 120.400 0.013 0.000 2.123 501 D HA -0.232 4.417 4.640 0.014 0.000 0.196 501 D C 2.120 178.420 176.300 -0.000 0.000 0.992 501 D CA 1.549 55.536 54.000 -0.022 0.000 0.833 501 D CB 0.088 40.868 40.800 -0.034 0.000 0.954 501 D HN 0.338 nan 8.370 nan 0.000 0.455 502 K N -0.430 119.986 120.400 0.026 0.000 1.991 502 K HA -0.168 4.161 4.320 0.014 0.000 0.212 502 K C 2.335 178.967 176.600 0.054 0.000 1.049 502 K CA 1.568 57.877 56.287 0.037 0.000 0.932 502 K CB -0.238 32.291 32.500 0.048 0.000 0.717 502 K HN 0.272 nan 8.250 nan 0.000 0.441 503 M N 0.500 120.156 119.600 0.093 0.000 2.108 503 M HA -0.181 4.308 4.480 0.014 0.000 0.261 503 M C 1.925 178.268 176.300 0.072 0.000 1.066 503 M CA 1.293 56.687 55.300 0.156 0.000 1.107 503 M CB -0.430 32.354 32.600 0.308 0.000 1.356 503 M HN 0.047 nan 8.290 nan 0.000 0.406 504 L N 0.403 121.612 121.223 -0.024 0.000 2.450 504 L HA -0.147 4.201 4.340 0.014 0.000 0.224 504 L C 2.356 179.193 176.870 -0.055 0.000 1.149 504 L CA 1.593 56.361 54.840 -0.119 0.000 0.816 504 L CB -1.103 40.884 42.059 -0.121 0.000 0.932 504 L HN 0.350 nan 8.230 nan 0.000 0.449 505 Q N -0.672 119.120 119.800 -0.012 0.000 2.079 505 Q HA -0.100 4.249 4.340 0.014 0.000 0.200 505 Q C 1.483 177.494 176.000 0.018 0.000 0.974 505 Q CA 1.281 57.084 55.803 -0.000 0.000 0.840 505 Q CB -0.006 28.736 28.738 0.008 0.000 0.898 505 Q HN 0.542 nan 8.270 nan 0.000 0.430 506 N N -0.024 118.699 118.700 0.038 0.000 2.313 506 N HA 0.053 4.802 4.740 0.014 0.000 0.207 506 N C -0.915 174.635 175.510 0.068 0.000 1.141 506 N CA -0.157 52.926 53.050 0.056 0.000 0.830 506 N CB 1.108 39.634 38.487 0.064 0.000 1.008 506 N HN -0.004 nan 8.380 nan 0.000 0.481 507 V N 0.704 120.643 119.914 0.042 0.000 2.448 507 V HA 0.234 4.363 4.120 0.014 0.000 0.295 507 V C -0.433 175.680 176.094 0.031 0.000 1.025 507 V CA -0.708 61.622 62.300 0.050 0.000 0.859 507 V CB 1.787 33.627 31.823 0.028 0.000 0.988 507 V HN 0.041 nan 8.190 nan 0.000 0.431 508 Q N 6.491 126.332 119.800 0.068 0.000 2.301 508 Q HA 0.273 4.621 4.340 0.014 0.000 0.262 508 Q C -0.338 175.662 176.000 0.000 0.000 1.168 508 Q CA 0.238 56.067 55.803 0.043 0.000 0.908 508 Q CB 0.480 29.289 28.738 0.119 0.000 1.348 508 Q HN 0.661 nan 8.270 nan 0.000 0.441 509 M N 4.426 123.993 119.600 -0.055 0.000 2.367 509 M HA 0.443 4.931 4.480 0.014 0.000 0.339 509 M C -2.074 174.164 176.300 -0.103 0.000 1.177 509 M CA -2.551 52.705 55.300 -0.072 0.000 1.068 509 M CB 0.709 33.267 32.600 -0.071 0.000 1.602 509 M HN 0.359 nan 8.290 nan 0.000 0.457 510 P HA 0.305 nan 4.420 nan 0.000 0.277 510 P C -0.767 176.458 177.300 -0.124 0.000 1.271 510 P CA -0.308 62.711 63.100 -0.136 0.000 0.795 510 P CB 0.658 32.266 31.700 -0.153 0.000 1.101 511 S N -1.035 114.572 115.700 -0.155 0.000 2.751 511 S HA 0.608 5.087 4.470 0.014 0.000 0.310 511 S C -0.600 173.909 174.600 -0.152 0.000 1.128 511 S CA -0.798 57.323 58.200 -0.132 0.000 0.931 511 S CB 1.727 64.841 63.200 -0.143 0.000 1.177 511 S HN 0.372 nan 8.310 nan 0.000 0.530 512 K N 1.150 121.483 120.400 -0.111 0.000 2.535 512 K HA 0.313 4.642 4.320 0.014 0.000 0.253 512 K C -1.458 175.088 176.600 -0.089 0.000 0.953 512 K CA -0.252 55.979 56.287 -0.093 0.000 0.863 512 K CB 1.535 34.011 32.500 -0.040 0.000 1.111 512 K HN 0.782 nan 8.250 nan 0.000 0.431 513 K N 5.453 125.786 120.400 -0.113 0.000 2.234 513 K HA 0.292 4.620 4.320 0.014 0.000 0.277 513 K C -0.941 175.619 176.600 -0.067 0.000 1.038 513 K CA -0.507 55.728 56.287 -0.086 0.000 0.888 513 K CB 0.749 33.189 32.500 -0.101 0.000 1.091 513 K HN 0.462 nan 8.250 nan 0.000 0.467 514 L N 4.408 125.606 121.223 -0.042 0.000 2.313 514 L HA 0.511 4.860 4.340 0.014 0.000 0.283 514 L C -1.250 175.620 176.870 0.001 0.000 1.013 514 L CA -0.196 54.643 54.840 -0.002 0.000 0.816 514 L CB 1.469 43.584 42.059 0.093 0.000 1.236 514 L HN 0.919 nan 8.230 nan 0.000 0.419 515 D N 2.825 123.116 120.400 -0.180 0.000 2.769 515 D HA 0.368 5.017 4.640 0.014 0.000 0.309 515 D C -1.643 174.298 176.300 -0.598 0.000 1.315 515 D CA -0.109 53.687 54.000 -0.342 0.000 0.780 515 D CB 1.665 42.191 40.800 -0.456 0.000 1.312 515 D HN 0.243 nan 8.370 nan 0.000 0.437 516 F N 0.290 119.847 119.950 -0.655 0.000 2.577 516 F HA 0.736 5.271 4.527 0.014 0.000 0.318 516 F C -0.363 175.486 175.800 0.081 0.000 1.065 516 F CA -1.077 56.610 58.000 -0.521 0.000 0.929 516 F CB 1.036 39.215 39.000 -1.368 0.000 1.237 516 F HN 0.312 nan 8.300 nan 0.000 0.468 517 I N 1.121 121.918 120.570 0.380 0.000 2.822 517 I HA 0.608 4.787 4.170 0.014 0.000 0.312 517 I C -1.045 175.285 176.117 0.357 0.000 1.011 517 I CA -1.063 60.397 61.300 0.266 0.000 1.105 517 I CB 1.940 40.083 38.000 0.239 0.000 1.291 517 I HN 0.472 nan 8.210 nan 0.000 0.474 518 I N 4.265 124.988 120.570 0.254 0.000 2.428 518 I HA 0.481 4.660 4.170 0.014 0.000 0.296 518 I C -0.462 175.805 176.117 0.250 0.000 0.985 518 I CA -0.606 60.842 61.300 0.246 0.000 1.260 518 I CB 1.373 39.476 38.000 0.172 0.000 1.389 518 I HN 0.430 nan 8.210 nan 0.000 0.484 519 L N 6.103 127.516 121.223 0.317 0.000 2.516 519 L HA 0.389 4.738 4.340 0.014 0.000 0.267 519 L C -0.365 176.660 176.870 0.258 0.000 0.957 519 L CA -0.482 54.535 54.840 0.295 0.000 0.860 519 L CB 1.163 43.454 42.059 0.387 0.000 1.265 519 L HN 0.525 nan 8.230 nan 0.000 0.403 520 N N 3.299 122.083 118.700 0.140 0.000 2.699 520 N HA -0.241 4.508 4.740 0.014 0.000 0.256 520 N C 0.030 175.591 175.510 0.084 0.000 0.993 520 N CA 1.318 54.424 53.050 0.094 0.000 0.759 520 N CB -0.802 37.731 38.487 0.077 0.000 0.906 520 N HN 0.811 nan 8.380 nan 0.000 0.541 521 E N -3.214 117.030 120.200 0.074 0.000 2.586 521 E HA -0.245 4.114 4.350 0.014 0.000 0.259 521 E C -0.759 175.850 176.600 0.015 0.000 1.107 521 E CA 1.223 57.650 56.400 0.045 0.000 0.754 521 E CB -1.599 28.117 29.700 0.026 0.000 1.335 521 E HN 0.531 nan 8.360 nan 0.000 0.411 522 T N 0.176 114.740 114.554 0.017 0.000 2.916 522 T HA 0.351 4.709 4.350 0.014 0.000 0.298 522 T C -0.247 174.304 174.700 -0.249 0.000 1.031 522 T CA -0.957 61.049 62.100 -0.156 0.000 0.993 522 T CB 1.720 70.426 68.868 -0.269 0.000 1.045 522 T HN -0.011 nan 8.240 nan 0.000 0.454 523 K N 1.811 122.011 120.400 -0.333 0.000 2.416 523 K HA 0.376 4.705 4.320 0.014 0.000 0.283 523 K C -1.080 175.216 176.600 -0.506 0.000 1.037 523 K CA 0.230 56.324 56.287 -0.323 0.000 0.995 523 K CB 0.189 32.407 32.500 -0.471 0.000 0.938 523 K HN 0.378 nan 8.250 nan 0.000 0.475 524 F N 2.602 122.610 119.950 0.097 0.000 2.499 524 F HA 0.287 4.822 4.527 0.014 0.000 0.333 524 F C -0.604 175.283 175.800 0.145 0.000 1.138 524 F CA -0.821 57.250 58.000 0.119 0.000 0.945 524 F CB 0.846 39.951 39.000 0.175 0.000 1.181 524 F HN 0.424 nan 8.300 nan 0.000 0.435 525 W N 4.042 125.519 121.300 0.295 0.000 2.251 525 W HA 0.479 5.146 4.660 0.013 0.000 0.329 525 W C -0.484 176.258 176.519 0.372 0.000 1.234 525 W CA -0.361 57.163 57.345 0.298 0.000 1.228 525 W CB 0.530 30.089 29.460 0.166 0.000 1.135 525 W HN 0.461 nan 8.180 nan 0.000 0.576 526 Y N -0.324 120.323 120.300 0.578 0.000 2.588 526 Y HA 0.647 5.205 4.550 0.014 0.000 0.343 526 Y C -1.017 175.115 175.900 0.386 0.000 1.065 526 Y CA -1.891 56.546 58.100 0.562 0.000 1.038 526 Y CB 1.115 40.046 38.460 0.785 0.000 1.297 526 Y HN 0.567 nan 8.280 nan 0.000 0.467 527 Q N 2.473 122.507 119.800 0.391 0.000 2.397 527 Q HA 0.760 5.109 4.340 0.014 0.000 0.275 527 Q C -1.715 174.397 176.000 0.186 0.000 1.090 527 Q CA -1.158 54.753 55.803 0.180 0.000 0.809 527 Q CB 3.352 32.166 28.738 0.126 0.000 1.362 527 Q HN 0.839 nan 8.270 nan 0.000 0.431 528 M N 2.141 121.779 119.600 0.063 0.000 2.464 528 M HA 0.464 4.953 4.480 0.014 0.000 0.308 528 M C -1.153 175.083 176.300 -0.105 0.000 1.127 528 M CA -1.080 54.196 55.300 -0.039 0.000 0.913 528 M CB 2.167 34.700 32.600 -0.111 0.000 1.689 528 M HN 0.601 nan 8.290 nan 0.000 0.445 529 I N 4.847 125.348 120.570 -0.115 0.000 2.307 529 I HA 0.330 4.508 4.170 0.014 0.000 0.287 529 I C -0.453 175.523 176.117 -0.236 0.000 1.054 529 I CA -0.363 60.843 61.300 -0.156 0.000 1.218 529 I CB -0.117 37.811 38.000 -0.120 0.000 1.398 529 I HN 0.606 nan 8.210 nan 0.000 0.475 530 L N 8.195 129.219 121.223 -0.333 0.000 2.290 530 L HA 0.383 4.732 4.340 0.014 0.000 0.284 530 L C -2.004 174.671 176.870 -0.326 0.000 1.078 530 L CA -1.681 52.861 54.840 -0.497 0.000 0.815 530 L CB 0.534 42.077 42.059 -0.860 0.000 1.162 530 L HN 0.235 nan 8.230 nan 0.000 0.435 531 P HA -0.010 nan 4.420 nan 0.000 0.269 531 P C -2.446 174.802 177.300 -0.086 0.000 1.205 531 P CA -0.612 62.399 63.100 -0.148 0.000 0.780 531 P CB -0.266 31.351 31.700 -0.138 0.000 0.858 532 P HA 0.041 nan 4.420 nan 0.000 0.272 532 P C -0.247 177.017 177.300 -0.060 0.000 1.230 532 P CA 0.356 63.356 63.100 -0.166 0.000 0.788 532 P CB -0.023 31.557 31.700 -0.200 0.000 0.949 533 H N -1.735 117.371 119.070 0.060 0.000 2.741 533 H HA -0.216 4.346 4.556 0.008 0.000 0.305 533 H C -0.104 175.284 175.328 0.099 0.000 1.169 533 H CA 0.073 56.161 56.048 0.067 0.000 1.144 533 H CB -2.233 27.557 29.762 0.048 0.000 1.397 533 H HN 0.402 nan 8.280 nan 0.000 0.409 534 F N 2.608 122.552 119.950 -0.009 0.000 2.571 534 F HA 0.070 4.604 4.527 0.012 0.000 0.390 534 F C 0.693 176.513 175.800 0.034 0.000 1.043 534 F CA 0.069 58.037 58.000 -0.052 0.000 1.164 534 F CB 0.396 39.254 39.000 -0.237 0.000 1.049 534 F HN 0.187 nan 8.300 nan 0.000 0.552 535 D N 6.954 127.069 120.400 -0.476 0.000 2.381 535 D HA 0.095 4.744 4.640 0.014 0.000 0.235 535 D C 0.390 176.326 176.300 -0.607 0.000 1.068 535 D CA -0.467 53.298 54.000 -0.391 0.000 0.832 535 D CB 1.274 41.975 40.800 -0.166 0.000 1.101 535 D HN 0.750 nan 8.370 nan 0.000 0.515 536 K N 0.954 121.088 120.400 -0.443 0.000 2.525 536 K HA -0.027 4.302 4.320 0.014 0.000 0.192 536 K C 1.121 177.755 176.600 0.056 0.000 1.029 536 K CA 0.288 56.469 56.287 -0.178 0.000 1.029 536 K CB 0.038 32.624 32.500 0.143 0.000 0.814 536 K HN 0.168 nan 8.250 nan 0.000 0.503 537 S N -0.111 115.563 115.700 -0.043 0.000 2.540 537 S HA 0.172 4.651 4.470 0.014 0.000 0.218 537 S C 0.223 174.777 174.600 -0.078 0.000 0.977 537 S CA -0.611 57.575 58.200 -0.025 0.000 0.918 537 S CB 0.115 63.296 63.200 -0.033 0.000 0.806 537 S HN 0.085 nan 8.310 nan 0.000 0.496 538 K N 1.844 122.152 120.400 -0.153 0.000 2.156 538 K HA 0.407 4.736 4.320 0.014 0.000 0.254 538 K C -0.627 175.794 176.600 -0.299 0.000 0.950 538 K CA -0.576 55.539 56.287 -0.287 0.000 0.849 538 K CB 1.152 33.373 32.500 -0.464 0.000 1.100 538 K HN 0.100 nan 8.250 nan 0.000 0.434 539 K N 2.984 123.212 120.400 -0.287 0.000 2.248 539 K HA 0.243 4.572 4.320 0.014 0.000 0.281 539 K C -0.547 175.892 176.600 -0.269 0.000 1.054 539 K CA -0.352 55.838 56.287 -0.162 0.000 0.903 539 K CB 0.512 32.949 32.500 -0.105 0.000 1.077 539 K HN 0.418 nan 8.250 nan 0.000 0.474 540 Y N 2.430 122.743 120.300 0.023 0.000 2.420 540 Y HA 0.273 4.832 4.550 0.014 0.000 0.334 540 Y C -1.886 173.952 175.900 -0.104 0.000 1.094 540 Y CA -2.484 55.605 58.100 -0.018 0.000 1.126 540 Y CB 0.951 39.456 38.460 0.076 0.000 1.217 540 Y HN 0.455 nan 8.280 nan 0.000 0.462 541 P HA 0.125 nan 4.420 nan 0.000 0.269 541 P C -1.144 176.056 177.300 -0.166 0.000 1.209 541 P CA -0.072 62.748 63.100 -0.467 0.000 0.776 541 P CB 0.657 31.761 31.700 -0.994 0.000 0.876 542 L N 3.324 124.502 121.223 -0.076 0.000 2.409 542 L HA 0.591 4.939 4.340 0.014 0.000 0.272 542 L C -1.557 175.522 176.870 0.350 0.000 0.980 542 L CA -1.043 53.888 54.840 0.151 0.000 0.826 542 L CB 1.634 43.788 42.059 0.160 0.000 1.268 542 L HN 0.134 nan 8.230 nan 0.000 0.407 543 L N 5.524 126.960 121.223 0.354 0.000 2.294 543 L HA 0.496 4.845 4.340 0.014 0.000 0.283 543 L C -1.180 175.942 176.870 0.419 0.000 1.015 543 L CA -0.380 54.720 54.840 0.434 0.000 0.831 543 L CB 1.471 43.744 42.059 0.356 0.000 1.217 543 L HN 0.670 nan 8.230 nan 0.000 0.420 544 L N 5.214 126.729 121.223 0.486 0.000 2.325 544 L HA 0.327 4.675 4.340 0.014 0.000 0.284 544 L C -0.349 176.770 176.870 0.414 0.000 1.089 544 L CA 0.392 55.510 54.840 0.462 0.000 0.836 544 L CB 0.263 42.642 42.059 0.533 0.000 1.184 544 L HN 0.626 nan 8.230 nan 0.000 0.444 545 D N 4.421 125.046 120.400 0.375 0.000 2.316 545 D HA 0.213 4.862 4.640 0.014 0.000 0.245 545 D C -0.995 175.405 176.300 0.166 0.000 1.171 545 D CA 0.028 54.181 54.000 0.255 0.000 0.856 545 D CB 1.375 42.387 40.800 0.354 0.000 1.090 545 D HN 0.340 nan 8.370 nan 0.000 0.476 546 V N 5.672 125.601 119.914 0.024 0.000 2.680 546 V HA 0.405 4.534 4.120 0.014 0.000 0.309 546 V C -0.920 175.263 176.094 0.150 0.000 1.052 546 V CA -0.437 61.940 62.300 0.128 0.000 0.908 546 V CB 1.742 33.639 31.823 0.124 0.000 1.001 546 V HN 0.673 nan 8.190 nan 0.000 0.431 547 Y N 5.394 125.774 120.300 0.134 0.000 2.972 547 Y HA 0.548 5.107 4.550 0.015 0.000 0.229 547 Y C 1.603 177.660 175.900 0.262 0.000 0.980 547 Y CA 1.228 59.436 58.100 0.179 0.000 1.475 547 Y CB 0.266 38.815 38.460 0.147 0.000 1.459 547 Y HN 1.017 nan 8.280 nan 0.000 0.460 548 A N 0.952 123.956 122.820 0.307 0.000 2.847 548 A HA -0.174 4.155 4.320 0.014 0.000 0.263 548 A C 0.903 178.455 177.584 -0.053 0.000 1.391 548 A CA 0.907 53.063 52.037 0.199 0.000 0.866 548 A CB -2.466 16.683 19.000 0.248 0.000 1.057 548 A HN 0.918 nan 8.150 nan 0.000 0.673 549 G N -0.578 107.953 108.800 -0.449 0.000 2.634 549 G HA2 0.502 4.471 3.960 0.014 0.000 0.255 549 G HA3 0.502 4.471 3.960 0.014 0.000 0.255 549 G C -1.944 172.723 174.900 -0.388 0.000 1.205 549 G CA -0.591 43.843 45.100 -1.110 0.000 0.884 549 G HN 0.403 nan 8.290 nan 0.000 0.549 550 P HA 0.092 nan 4.420 nan 0.000 0.271 550 P C 0.634 177.819 177.300 -0.192 0.000 1.216 550 P CA -0.051 62.820 63.100 -0.382 0.000 0.771 550 P CB 1.073 32.212 31.700 -0.936 0.000 0.864 551 C N 1.776 121.016 119.300 -0.099 0.000 4.326 551 C HA -0.155 4.314 4.460 0.014 0.000 0.284 551 C C 1.090 176.115 174.990 0.058 0.000 1.419 551 C CA 1.266 60.176 59.018 -0.180 0.000 1.920 551 C CB -2.740 24.686 27.740 -0.523 0.000 1.306 551 C HN 0.835 nan 8.230 nan 0.000 0.786 552 S N 0.051 115.869 115.700 0.198 0.000 2.603 552 S HA 0.516 4.995 4.470 0.014 0.000 0.268 552 S C -0.592 174.197 174.600 0.315 0.000 1.317 552 S CA 0.237 58.638 58.200 0.336 0.000 1.012 552 S CB 1.548 65.036 63.200 0.480 0.000 0.926 552 S HN 0.840 nan 8.310 nan 0.000 0.539 553 Q N 0.210 120.213 119.800 0.337 0.000 2.295 553 Q HA 0.368 4.717 4.340 0.014 0.000 0.259 553 Q C -0.668 175.459 176.000 0.213 0.000 0.966 553 Q CA -0.669 55.320 55.803 0.310 0.000 0.763 553 Q CB 1.108 30.093 28.738 0.411 0.000 1.283 553 Q HN 0.683 nan 8.270 nan 0.000 0.445 554 K N 1.221 121.748 120.400 0.212 0.000 2.380 554 K HA 0.347 4.676 4.320 0.014 0.000 0.198 554 K C -0.464 176.242 176.600 0.178 0.000 1.070 554 K CA 0.351 56.751 56.287 0.187 0.000 1.040 554 K CB 1.458 34.103 32.500 0.240 0.000 0.903 554 K HN 0.549 nan 8.250 nan 0.000 0.549 555 A N 2.726 125.662 122.820 0.193 0.000 2.256 555 A HA 0.447 4.776 4.320 0.014 0.000 0.317 555 A C -0.861 176.787 177.584 0.108 0.000 1.318 555 A CA -0.492 51.658 52.037 0.189 0.000 0.894 555 A CB 0.184 19.363 19.000 0.297 0.000 1.165 555 A HN 0.239 nan 8.150 nan 0.000 0.525 556 D N -0.132 120.299 120.400 0.053 0.000 2.626 556 D HA 0.392 5.041 4.640 0.014 0.000 0.278 556 D C 0.406 176.694 176.300 -0.020 0.000 1.211 556 D CA 0.207 54.212 54.000 0.008 0.000 0.903 556 D CB 0.358 41.133 40.800 -0.041 0.000 1.408 556 D HN 0.185 nan 8.370 nan 0.000 0.454 557 T N -2.300 112.257 114.554 0.004 0.000 3.219 557 T HA 0.246 4.605 4.350 0.014 0.000 0.249 557 T C 0.544 175.194 174.700 -0.084 0.000 1.099 557 T CA -0.344 61.761 62.100 0.009 0.000 0.988 557 T CB -0.664 68.258 68.868 0.090 0.000 0.999 557 T HN 0.271 nan 8.240 nan 0.000 0.550 558 V N 2.619 122.368 119.914 -0.275 0.000 2.637 558 V HA 0.294 4.423 4.120 0.014 0.000 0.296 558 V C 0.129 176.163 176.094 -0.100 0.000 1.046 558 V CA -0.867 61.239 62.300 -0.324 0.000 1.066 558 V CB -0.064 31.450 31.823 -0.515 0.000 0.968 558 V HN 0.544 nan 8.190 nan 0.000 0.483 559 F N 6.520 126.372 119.950 -0.163 0.000 2.410 559 F HA 0.589 5.127 4.527 0.018 0.000 0.348 559 F C 0.474 176.220 175.800 -0.091 0.000 1.106 559 F CA -0.262 57.669 58.000 -0.114 0.000 1.163 559 F CB 0.434 39.375 39.000 -0.097 0.000 1.129 559 F HN 0.424 nan 8.300 nan 0.000 0.516 560 R N 6.056 125.994 120.500 -0.937 0.000 2.744 560 R HA 0.580 4.929 4.340 0.014 0.000 0.279 560 R C -1.658 174.147 176.300 -0.825 0.000 0.977 560 R CA -1.090 54.622 56.100 -0.646 0.000 0.906 560 R CB 2.141 32.255 30.300 -0.310 0.000 1.197 560 R HN 0.651 nan 8.270 nan 0.000 0.463 561 L N 3.814 124.791 121.223 -0.410 0.000 2.295 561 L HA 0.438 4.787 4.340 0.014 0.000 0.281 561 L C -0.547 176.310 176.870 -0.021 0.000 1.018 561 L CA -0.630 54.050 54.840 -0.267 0.000 0.841 561 L CB 0.641 42.685 42.059 -0.025 0.000 1.218 561 L HN 0.766 nan 8.230 nan 0.000 0.424 562 N N 0.402 119.013 118.700 -0.148 0.000 3.418 562 N HA 0.168 4.917 4.740 0.014 0.000 0.316 562 N C 0.192 175.356 175.510 -0.577 0.000 1.601 562 N CA -0.875 51.988 53.050 -0.312 0.000 0.805 562 N CB 0.176 38.605 38.487 -0.096 0.000 1.873 562 N HN 0.291 nan 8.380 nan 0.000 0.615 563 W N 0.877 121.589 121.300 -0.979 0.000 2.315 563 W HA 0.044 4.713 4.660 0.015 0.000 0.323 563 W C 2.287 178.752 176.519 -0.091 0.000 1.233 563 W CA 3.350 60.362 57.345 -0.555 0.000 1.267 563 W CB -1.228 28.099 29.460 -0.220 0.000 1.160 563 W HN 0.731 nan 8.180 nan 0.000 0.474 564 A N -0.349 122.463 122.820 -0.014 0.000 1.940 564 A HA -0.330 3.999 4.320 0.014 0.000 0.221 564 A C 1.934 179.421 177.584 -0.163 0.000 1.190 564 A CA 3.266 55.230 52.037 -0.121 0.000 0.647 564 A CB -1.465 17.544 19.000 0.015 0.000 0.821 564 A HN 0.380 nan 8.150 nan 0.000 0.457 565 T N -1.602 112.867 114.554 -0.141 0.000 2.720 565 T HA -0.219 4.140 4.350 0.014 0.000 0.268 565 T C 1.757 176.482 174.700 0.041 0.000 1.037 565 T CA 1.686 63.680 62.100 -0.176 0.000 1.144 565 T CB -0.509 68.088 68.868 -0.450 0.000 0.864 565 T HN 0.719 nan 8.240 nan 0.000 0.444 566 Y N 1.841 122.218 120.300 0.129 0.000 2.163 566 Y HA -0.013 4.545 4.550 0.013 0.000 0.288 566 Y C 2.015 177.906 175.900 -0.015 0.000 1.136 566 Y CA 0.979 59.192 58.100 0.188 0.000 1.147 566 Y CB -0.511 38.045 38.460 0.159 0.000 0.987 566 Y HN 0.072 nan 8.280 nan 0.000 0.509 567 L N 0.462 121.237 121.223 -0.747 0.000 2.042 567 L HA -0.222 4.127 4.340 0.014 0.000 0.210 567 L C 2.868 179.483 176.870 -0.425 0.000 1.076 567 L CA 1.259 55.621 54.840 -0.797 0.000 0.749 567 L CB -0.929 40.713 42.059 -0.694 0.000 0.893 567 L HN 0.442 nan 8.230 nan 0.000 0.432 568 A N -1.168 121.484 122.820 -0.280 0.000 1.872 568 A HA -0.187 4.141 4.320 0.014 0.000 0.214 568 A C 2.530 180.037 177.584 -0.129 0.000 1.187 568 A CA 1.843 53.769 52.037 -0.185 0.000 0.614 568 A CB -0.616 18.280 19.000 -0.173 0.000 0.826 568 A HN 0.339 nan 8.150 nan 0.000 0.442 569 S N -1.352 114.296 115.700 -0.086 0.000 2.371 569 S HA -0.095 4.384 4.470 0.014 0.000 0.224 569 S C 1.928 176.541 174.600 0.022 0.000 1.029 569 S CA 2.168 60.371 58.200 0.006 0.000 0.978 569 S CB -0.315 62.957 63.200 0.119 0.000 0.833 569 S HN 0.580 nan 8.310 nan 0.000 0.466 570 T N 0.946 115.475 114.554 -0.042 0.000 3.021 570 T HA 0.211 4.569 4.350 0.014 0.000 0.245 570 T C 1.287 175.948 174.700 -0.065 0.000 1.028 570 T CA 0.379 62.478 62.100 -0.001 0.000 1.139 570 T CB -0.059 68.893 68.868 0.140 0.000 0.884 570 T HN 0.264 nan 8.240 nan 0.000 0.457 571 E N 1.512 121.579 120.200 -0.221 0.000 2.474 571 E HA 0.165 4.524 4.350 0.014 0.000 0.195 571 E C 0.008 176.584 176.600 -0.040 0.000 1.039 571 E CA -0.095 56.226 56.400 -0.132 0.000 0.881 571 E CB -0.131 29.433 29.700 -0.226 0.000 0.970 571 E HN 0.335 nan 8.360 nan 0.000 0.486 572 N N 0.979 119.659 118.700 -0.034 0.000 2.714 572 N HA -0.214 4.535 4.740 0.014 0.000 0.252 572 N C -0.581 174.965 175.510 0.060 0.000 1.014 572 N CA 0.720 53.798 53.050 0.047 0.000 0.735 572 N CB -1.483 37.109 38.487 0.176 0.000 0.924 572 N HN 0.292 nan 8.380 nan 0.000 0.540 573 I N 0.889 121.438 120.570 -0.035 0.000 2.359 573 I HA 0.325 4.504 4.170 0.014 0.000 0.294 573 I C 1.039 177.121 176.117 -0.058 0.000 0.987 573 I CA -0.751 60.546 61.300 -0.005 0.000 1.225 573 I CB 1.228 39.253 38.000 0.042 0.000 1.366 573 I HN -0.030 nan 8.210 nan 0.000 0.466 574 I N 6.691 127.243 120.570 -0.030 0.000 2.452 574 I HA 0.102 4.280 4.170 0.014 0.000 0.287 574 I C 0.037 176.160 176.117 0.011 0.000 1.079 574 I CA -0.133 61.129 61.300 -0.064 0.000 1.387 574 I CB 0.925 38.907 38.000 -0.030 0.000 1.404 574 I HN 0.311 nan 8.210 nan 0.000 0.522 575 V N 6.865 126.771 119.914 -0.012 0.000 2.357 575 V HA 0.846 4.975 4.120 0.014 0.000 0.284 575 V C -0.046 176.100 176.094 0.086 0.000 1.018 575 V CA -0.134 62.213 62.300 0.079 0.000 0.841 575 V CB 1.185 33.053 31.823 0.076 0.000 0.991 575 V HN 0.785 nan 8.190 nan 0.000 0.437 576 A N 4.897 127.807 122.820 0.151 0.000 2.337 576 A HA 0.955 5.284 4.320 0.014 0.000 0.331 576 A C -0.067 177.700 177.584 0.306 0.000 1.137 576 A CA -0.564 51.560 52.037 0.146 0.000 0.807 576 A CB 1.984 20.961 19.000 -0.038 0.000 1.250 576 A HN 1.030 nan 8.150 nan 0.000 0.468 577 S N -0.393 115.522 115.700 0.359 0.000 2.632 577 S HA 0.832 5.311 4.470 0.014 0.000 0.289 577 S C -1.479 173.497 174.600 0.626 0.000 1.115 577 S CA -0.311 58.151 58.200 0.436 0.000 0.889 577 S CB 1.447 64.841 63.200 0.323 0.000 1.116 577 S HN 0.884 nan 8.310 nan 0.000 0.486 578 F N 1.573 121.768 119.950 0.408 0.000 2.605 578 F HA 0.368 4.903 4.527 0.014 0.000 0.320 578 F C -1.828 174.187 175.800 0.359 0.000 1.159 578 F CA -0.659 57.607 58.000 0.443 0.000 0.999 578 F CB 1.369 40.617 39.000 0.414 0.000 1.258 578 F HN 0.408 nan 8.300 nan 0.000 0.464 579 D N 5.117 125.386 120.400 -0.218 0.000 2.456 579 D HA 0.341 4.989 4.640 0.014 0.000 0.219 579 D C 0.485 176.496 176.300 -0.482 0.000 1.126 579 D CA 0.169 54.083 54.000 -0.143 0.000 0.890 579 D CB 1.471 42.337 40.800 0.109 0.000 1.025 579 D HN 0.755 nan 8.370 nan 0.000 0.511 580 G N 1.525 110.124 108.800 -0.335 0.000 2.630 580 G HA2 0.246 4.214 3.960 0.014 0.000 0.223 580 G HA3 0.246 4.214 3.960 0.014 0.000 0.223 580 G C 0.276 175.167 174.900 -0.016 0.000 1.434 580 G CA -0.685 44.256 45.100 -0.266 0.000 1.057 580 G HN 0.295 nan 8.290 nan 0.000 0.570 581 R N -0.891 119.587 120.500 -0.037 0.000 2.679 581 R HA 0.373 4.722 4.340 0.014 0.000 0.268 581 R C 1.313 177.705 176.300 0.154 0.000 1.044 581 R CA 1.262 57.435 56.100 0.122 0.000 1.105 581 R CB 0.451 30.797 30.300 0.077 0.000 0.989 581 R HN 1.025 nan 8.270 nan 0.000 0.447 582 G N 0.799 109.691 108.800 0.153 0.000 2.284 582 G HA2 -0.355 3.614 3.960 0.014 0.000 0.247 582 G HA3 -0.355 3.614 3.960 0.014 0.000 0.247 582 G C 0.233 175.182 174.900 0.080 0.000 1.012 582 G CA 0.302 45.476 45.100 0.123 0.000 0.618 582 G HN 0.754 nan 8.290 nan 0.000 0.521 583 S N 0.420 116.183 115.700 0.105 0.000 2.580 583 S HA 0.576 5.054 4.470 0.014 0.000 0.266 583 S C 0.909 175.529 174.600 0.034 0.000 1.354 583 S CA 0.562 58.824 58.200 0.103 0.000 1.008 583 S CB 1.518 64.809 63.200 0.151 0.000 0.898 583 S HN 1.740 nan 8.310 nan 0.000 0.555 584 G N -1.085 107.713 108.800 -0.005 0.000 2.521 584 G HA2 0.508 4.476 3.960 0.014 0.000 0.323 584 G HA3 0.508 4.476 3.960 0.014 0.000 0.323 584 G C -0.837 173.975 174.900 -0.147 0.000 1.211 584 G CA -1.072 43.843 45.100 -0.308 0.000 0.979 584 G HN 1.037 nan 8.290 nan 0.000 0.490 585 Y N -2.353 117.972 120.300 0.041 0.000 4.668 585 Y HA -0.234 4.325 4.550 0.015 0.000 0.234 585 Y C 1.385 177.323 175.900 0.063 0.000 1.056 585 Y CA 1.034 59.164 58.100 0.051 0.000 2.025 585 Y CB -1.852 36.648 38.460 0.066 0.000 1.613 585 Y HN 0.524 nan 8.280 nan 0.000 0.653 586 Q N 0.112 119.974 119.800 0.103 0.000 2.086 586 Q HA 0.485 4.834 4.340 0.014 0.000 0.220 586 Q C 0.878 176.870 176.000 -0.014 0.000 0.792 586 Q CA 0.209 56.096 55.803 0.140 0.000 1.062 586 Q CB 1.771 30.575 28.738 0.110 0.000 1.198 586 Q HN 0.555 nan 8.270 nan 0.000 0.466 587 G N 0.742 109.427 108.800 -0.193 0.000 2.699 587 G HA2 -0.196 3.773 3.960 0.014 0.000 0.686 587 G HA3 -0.196 3.773 3.960 0.014 0.000 0.686 587 G C -0.435 174.147 174.900 -0.529 0.000 1.301 587 G CA -0.460 44.281 45.100 -0.599 0.000 0.816 587 G HN 0.124 nan 8.290 nan 0.000 0.595 588 D N 0.061 120.079 120.400 -0.636 0.000 2.178 588 D HA -0.059 4.590 4.640 0.014 0.000 0.202 588 D C 2.286 178.309 176.300 -0.463 0.000 0.974 588 D CA 1.441 54.988 54.000 -0.754 0.000 0.841 588 D CB 0.004 40.294 40.800 -0.851 0.000 0.953 588 D HN 0.455 nan 8.370 nan 0.000 0.478 589 K N 1.244 121.425 120.400 -0.365 0.000 2.044 589 K HA -0.117 4.212 4.320 0.014 0.000 0.210 589 K C 1.920 178.452 176.600 -0.113 0.000 1.049 589 K CA 1.141 57.306 56.287 -0.204 0.000 0.927 589 K CB -0.648 31.731 32.500 -0.202 0.000 0.713 589 K HN 0.190 nan 8.250 nan 0.000 0.443 590 I N -0.309 120.189 120.570 -0.119 0.000 2.235 590 I HA -0.169 4.010 4.170 0.014 0.000 0.241 590 I C 2.638 178.762 176.117 0.013 0.000 1.085 590 I CA 1.258 62.564 61.300 0.010 0.000 1.378 590 I CB -0.237 37.796 38.000 0.056 0.000 1.076 590 I HN 0.231 nan 8.210 nan 0.000 0.415 591 M N 0.278 119.820 119.600 -0.097 0.000 2.065 591 M HA -0.281 4.208 4.480 0.014 0.000 0.259 591 M C 2.115 178.469 176.300 0.089 0.000 1.069 591 M CA 2.073 57.337 55.300 -0.060 0.000 1.110 591 M CB -0.420 32.030 32.600 -0.249 0.000 1.328 591 M HN 0.259 nan 8.290 nan 0.000 0.405 592 H N -0.634 118.334 119.070 -0.170 0.000 2.563 592 H HA 0.089 4.654 4.556 0.015 0.000 0.272 592 H C 1.898 177.250 175.328 0.041 0.000 1.005 592 H CA 0.117 56.085 56.048 -0.133 0.000 1.171 592 H CB 0.069 29.680 29.762 -0.253 0.000 1.351 592 H HN 0.563 nan 8.280 nan 0.000 0.602 593 A N 1.594 124.521 122.820 0.179 0.000 1.940 593 A HA -0.168 4.160 4.320 0.014 0.000 0.219 593 A C 1.924 179.714 177.584 0.343 0.000 1.176 593 A CA 1.443 53.599 52.037 0.198 0.000 0.631 593 A CB -0.441 18.633 19.000 0.124 0.000 0.814 593 A HN 0.427 nan 8.150 nan 0.000 0.446 594 I N -1.817 118.932 120.570 0.297 0.000 3.855 594 I HA 0.153 4.332 4.170 0.014 0.000 0.327 594 I C 0.319 176.524 176.117 0.147 0.000 1.359 594 I CA -1.004 60.434 61.300 0.231 0.000 1.142 594 I CB -1.322 36.782 38.000 0.173 0.000 1.041 594 I HN 0.261 nan 8.210 nan 0.000 0.403 595 N N 2.978 121.802 118.700 0.206 0.000 2.411 595 N HA -0.034 4.715 4.740 0.014 0.000 0.265 595 N C 0.206 175.742 175.510 0.043 0.000 1.266 595 N CA 0.133 53.293 53.050 0.184 0.000 0.889 595 N CB 0.234 38.808 38.487 0.144 0.000 1.069 595 N HN 0.378 nan 8.380 nan 0.000 0.476 596 R N 0.997 121.496 120.500 -0.002 0.000 3.954 596 R HA -0.124 4.224 4.340 0.014 0.000 0.422 596 R C -0.329 175.830 176.300 -0.235 0.000 1.091 596 R CA 0.762 56.817 56.100 -0.075 0.000 1.168 596 R CB -0.791 29.483 30.300 -0.042 0.000 1.752 596 R HN 0.682 nan 8.270 nan 0.000 0.547 597 R N 0.453 120.796 120.500 -0.263 0.000 2.648 597 R HA 0.185 4.534 4.340 0.014 0.000 0.341 597 R C -0.711 175.543 176.300 -0.078 0.000 1.154 597 R CA -0.634 55.134 56.100 -0.553 0.000 1.228 597 R CB 0.486 30.486 30.300 -0.500 0.000 1.311 597 R HN -0.121 nan 8.270 nan 0.000 0.659 598 L N 0.467 121.758 121.223 0.114 0.000 2.506 598 L HA 0.160 4.509 4.340 0.014 0.000 0.281 598 L C 1.534 178.664 176.870 0.433 0.000 1.228 598 L CA 1.528 56.471 54.840 0.172 0.000 0.850 598 L CB 0.238 42.164 42.059 -0.221 0.000 1.110 598 L HN 0.755 nan 8.230 nan 0.000 0.496 599 G N 1.099 110.181 108.800 0.470 0.000 2.221 599 G HA2 -0.308 3.661 3.960 0.014 0.000 0.265 599 G HA3 -0.308 3.661 3.960 0.014 0.000 0.265 599 G C 0.596 175.599 174.900 0.172 0.000 1.041 599 G CA 1.014 46.336 45.100 0.370 0.000 0.807 599 G HN 0.953 nan 8.290 nan 0.000 0.502 600 T N -4.034 110.578 114.554 0.096 0.000 3.409 600 T HA 0.451 4.810 4.350 0.014 0.000 0.188 600 T C 1.659 176.353 174.700 -0.010 0.000 0.929 600 T CA 0.931 62.983 62.100 -0.079 0.000 1.184 600 T CB 0.033 68.668 68.868 -0.388 0.000 1.570 600 T HN 0.124 nan 8.240 nan 0.000 0.367 601 F N 3.372 123.372 119.950 0.082 0.000 2.171 601 F HA 0.127 4.663 4.527 0.014 0.000 0.300 601 F C 2.818 178.661 175.800 0.072 0.000 1.090 601 F CA 1.137 59.172 58.000 0.059 0.000 1.293 601 F CB -0.632 38.397 39.000 0.048 0.000 1.013 601 F HN 0.517 nan 8.300 nan 0.000 0.486 602 E N 0.677 121.045 120.200 0.280 0.000 2.204 602 E HA -0.123 4.236 4.350 0.014 0.000 0.194 602 E C 2.071 178.795 176.600 0.206 0.000 0.989 602 E CA 1.421 57.963 56.400 0.237 0.000 0.824 602 E CB -0.926 28.924 29.700 0.249 0.000 0.756 602 E HN 0.296 nan 8.360 nan 0.000 0.477 603 V N 1.447 121.459 119.914 0.163 0.000 2.346 603 V HA -0.176 3.953 4.120 0.014 0.000 0.244 603 V C 2.375 178.517 176.094 0.080 0.000 1.037 603 V CA 1.942 64.292 62.300 0.084 0.000 1.029 603 V CB -0.558 31.268 31.823 0.006 0.000 0.663 603 V HN 0.185 nan 8.190 nan 0.000 0.454 604 E N 0.185 120.447 120.200 0.103 0.000 2.085 604 E HA -0.260 4.099 4.350 0.014 0.000 0.194 604 E C 1.908 178.544 176.600 0.060 0.000 0.994 604 E CA 1.664 58.117 56.400 0.088 0.000 0.801 604 E CB -0.146 29.637 29.700 0.137 0.000 0.743 604 E HN 0.575 nan 8.360 nan 0.000 0.453 605 D N -0.036 120.420 120.400 0.094 0.000 2.178 605 D HA -0.135 4.514 4.640 0.014 0.000 0.202 605 D C 1.930 178.232 176.300 0.005 0.000 0.974 605 D CA 0.684 54.726 54.000 0.070 0.000 0.841 605 D CB -0.079 40.825 40.800 0.175 0.000 0.953 605 D HN 0.113 nan 8.370 nan 0.000 0.478 606 Q N 0.189 120.052 119.800 0.105 0.000 2.079 606 Q HA -0.042 4.306 4.340 0.014 0.000 0.200 606 Q C 2.568 178.590 176.000 0.037 0.000 0.974 606 Q CA 0.590 56.450 55.803 0.094 0.000 0.840 606 Q CB -0.231 28.601 28.738 0.156 0.000 0.898 606 Q HN 0.429 nan 8.270 nan 0.000 0.430 607 I N 0.718 121.339 120.570 0.086 0.000 2.163 607 I HA -0.271 3.908 4.170 0.014 0.000 0.243 607 I C 2.390 178.441 176.117 -0.111 0.000 1.085 607 I CA 1.283 62.656 61.300 0.123 0.000 1.347 607 I CB -0.293 37.772 38.000 0.108 0.000 1.044 607 I HN 0.160 nan 8.210 nan 0.000 0.408 608 E N 1.506 121.597 120.200 -0.183 0.000 2.051 608 E HA -0.196 4.163 4.350 0.014 0.000 0.192 608 E C 2.142 178.412 176.600 -0.550 0.000 0.991 608 E CA 1.732 57.958 56.400 -0.291 0.000 0.799 608 E CB -0.232 29.330 29.700 -0.230 0.000 0.748 608 E HN 0.406 nan 8.360 nan 0.000 0.449 609 A N 0.928 123.229 122.820 -0.864 0.000 1.883 609 A HA -0.144 4.185 4.320 0.014 0.000 0.217 609 A C 2.487 179.203 177.584 -1.447 0.000 1.186 609 A CA 2.527 53.673 52.037 -1.485 0.000 0.624 609 A CB -1.235 16.626 19.000 -1.899 0.000 0.822 609 A HN 0.396 nan 8.150 nan 0.000 0.444 610 A N -0.725 121.663 122.820 -0.719 0.000 1.940 610 A HA -0.193 4.136 4.320 0.014 0.000 0.219 610 A C 2.274 179.624 177.584 -0.390 0.000 1.176 610 A CA 1.669 53.471 52.037 -0.391 0.000 0.631 610 A CB -0.481 18.385 19.000 -0.223 0.000 0.814 610 A HN 0.545 nan 8.150 nan 0.000 0.446 611 R N -0.916 119.350 120.500 -0.389 0.000 2.075 611 R HA -0.108 4.241 4.340 0.014 0.000 0.232 611 R C 2.482 178.613 176.300 -0.281 0.000 1.126 611 R CA 1.415 57.342 56.100 -0.288 0.000 0.963 611 R CB -0.231 29.930 30.300 -0.231 0.000 0.858 611 R HN 0.621 nan 8.270 nan 0.000 0.435 612 Q N -0.274 119.288 119.800 -0.397 0.000 2.050 612 Q HA -0.147 4.202 4.340 0.014 0.000 0.202 612 Q C 2.037 177.913 176.000 -0.207 0.000 0.980 612 Q CA 1.295 56.903 55.803 -0.325 0.000 0.840 612 Q CB -0.219 28.275 28.738 -0.407 0.000 0.898 612 Q HN 0.274 nan 8.270 nan 0.000 0.424 613 F N 1.523 121.312 119.950 -0.268 0.000 2.161 613 F HA -0.145 4.392 4.527 0.017 0.000 0.300 613 F C 2.464 178.107 175.800 -0.261 0.000 1.089 613 F CA 1.334 59.177 58.000 -0.262 0.000 1.282 613 F CB -1.267 37.626 39.000 -0.180 0.000 1.010 613 F HN 0.045 nan 8.300 nan 0.000 0.485 614 S N -0.815 114.854 115.700 -0.051 0.000 2.754 614 S HA 0.058 4.537 4.470 0.014 0.000 0.223 614 S C 1.077 175.596 174.600 -0.136 0.000 0.951 614 S CA 0.020 58.157 58.200 -0.106 0.000 0.954 614 S CB -0.492 62.641 63.200 -0.113 0.000 0.780 614 S HN 0.387 nan 8.310 nan 0.000 0.509 615 K N 0.045 120.353 120.400 -0.152 0.000 2.447 615 K HA 0.369 4.698 4.320 0.014 0.000 0.205 615 K C 0.750 177.242 176.600 -0.180 0.000 1.059 615 K CA -0.048 56.153 56.287 -0.144 0.000 1.065 615 K CB 0.151 32.579 32.500 -0.120 0.000 0.885 615 K HN 0.422 nan 8.250 nan 0.000 0.545 616 M N -0.307 119.122 119.600 -0.285 0.000 2.556 616 M HA 0.047 4.536 4.480 0.014 0.000 0.245 616 M C 1.128 177.094 176.300 -0.557 0.000 1.128 616 M CA 0.887 55.918 55.300 -0.449 0.000 1.069 616 M CB 0.413 32.603 32.600 -0.683 0.000 1.469 616 M HN 0.426 nan 8.290 nan 0.000 0.494 617 G N 1.153 109.717 108.800 -0.393 0.000 2.241 617 G HA2 -0.303 3.666 3.960 0.014 0.000 0.244 617 G HA3 -0.303 3.666 3.960 0.014 0.000 0.244 617 G C 0.473 175.314 174.900 -0.099 0.000 0.998 617 G CA 0.378 45.360 45.100 -0.198 0.000 0.621 617 G HN 0.639 nan 8.290 nan 0.000 0.519 618 F N 0.111 120.106 119.950 0.077 0.000 2.708 618 F HA 0.769 5.306 4.527 0.018 0.000 0.300 618 F C 0.007 175.903 175.800 0.160 0.000 1.118 618 F CA -0.925 57.143 58.000 0.114 0.000 1.307 618 F CB 0.577 39.705 39.000 0.212 0.000 0.986 618 F HN 0.046 nan 8.300 nan 0.000 0.522 619 V N 1.609 121.585 119.914 0.102 0.000 2.378 619 V HA 0.160 4.288 4.120 0.014 0.000 0.288 619 V C -0.724 175.381 176.094 0.019 0.000 1.016 619 V CA -0.757 61.615 62.300 0.120 0.000 0.840 619 V CB 1.321 33.166 31.823 0.035 0.000 0.994 619 V HN 0.154 nan 8.190 nan 0.000 0.431 620 D N 4.091 124.492 120.400 0.002 0.000 2.342 620 D HA 0.017 4.665 4.640 0.014 0.000 0.260 620 D C 1.079 177.341 176.300 -0.064 0.000 1.278 620 D CA -0.103 53.862 54.000 -0.057 0.000 0.910 620 D CB 0.674 41.414 40.800 -0.099 0.000 1.079 620 D HN 0.663 nan 8.370 nan 0.000 0.496 621 N N 3.145 121.809 118.700 -0.060 0.000 2.449 621 N HA -0.072 4.676 4.740 0.014 0.000 0.191 621 N C 0.669 176.149 175.510 -0.051 0.000 1.161 621 N CA 0.182 53.192 53.050 -0.066 0.000 0.863 621 N CB 0.199 38.636 38.487 -0.084 0.000 0.980 621 N HN 0.231 nan 8.380 nan 0.000 0.458 622 K N 0.285 120.661 120.400 -0.040 0.000 2.418 622 K HA 0.130 4.458 4.320 0.014 0.000 0.195 622 K C 0.175 176.789 176.600 0.024 0.000 1.035 622 K CA 0.267 56.546 56.287 -0.012 0.000 1.003 622 K CB 0.457 32.947 32.500 -0.015 0.000 0.793 622 K HN 0.318 nan 8.250 nan 0.000 0.494 623 R N 0.848 121.340 120.500 -0.015 0.000 2.782 623 R HA 0.365 4.714 4.340 0.014 0.000 0.293 623 R C -0.738 175.582 176.300 0.033 0.000 1.333 623 R CA -0.142 55.955 56.100 -0.005 0.000 1.479 623 R CB 0.485 30.560 30.300 -0.375 0.000 1.306 623 R HN -0.034 nan 8.270 nan 0.000 0.654 624 I N 1.091 121.765 120.570 0.174 0.000 2.354 624 I HA 0.517 4.696 4.170 0.014 0.000 0.292 624 I C 0.143 176.550 176.117 0.483 0.000 0.989 624 I CA -0.590 60.849 61.300 0.231 0.000 1.188 624 I CB 1.821 39.797 38.000 -0.040 0.000 1.342 624 I HN 0.230 nan 8.210 nan 0.000 0.457 625 A N 7.182 130.389 122.820 0.646 0.000 2.430 625 A HA 0.908 5.237 4.320 0.014 0.000 0.300 625 A C -1.110 176.842 177.584 0.614 0.000 1.124 625 A CA -0.642 51.758 52.037 0.605 0.000 0.766 625 A CB 1.946 21.168 19.000 0.370 0.000 1.328 625 A HN 0.730 nan 8.150 nan 0.000 0.424 626 I N 0.949 121.770 120.570 0.419 0.000 2.656 626 I HA 0.713 4.892 4.170 0.014 0.000 0.292 626 I C -1.759 174.587 176.117 0.381 0.000 1.144 626 I CA -0.586 60.874 61.300 0.267 0.000 1.038 626 I CB 1.553 39.378 38.000 -0.291 0.000 1.244 626 I HN 0.933 nan 8.210 nan 0.000 0.420 627 W N 7.184 128.609 121.300 0.208 0.000 3.075 627 W HA 0.861 5.530 4.660 0.014 0.000 0.334 627 W C -1.432 175.235 176.519 0.247 0.000 1.243 627 W CA -0.904 56.577 57.345 0.227 0.000 1.170 627 W CB 1.136 30.788 29.460 0.320 0.000 1.452 627 W HN 0.849 nan 8.180 nan 0.000 0.572 628 G N 0.447 109.101 108.800 -0.244 0.000 2.387 628 G HA2 0.383 4.352 3.960 0.014 0.000 0.294 628 G HA3 0.383 4.352 3.960 0.014 0.000 0.294 628 G C -2.804 171.995 174.900 -0.169 0.000 1.509 628 G CA -0.817 43.967 45.100 -0.528 0.000 0.806 628 G HN 0.634 nan 8.290 nan 0.000 0.546 629 W N 0.941 122.086 121.300 -0.259 0.000 2.689 629 W HA 0.632 5.301 4.660 0.014 0.000 0.340 629 W C 0.869 177.395 176.519 0.012 0.000 1.060 629 W CA 0.530 57.824 57.345 -0.085 0.000 1.218 629 W CB 1.903 31.331 29.460 -0.054 0.000 1.410 629 W HN 1.286 nan 8.180 nan 0.000 0.528 630 S N 2.159 118.069 115.700 0.351 0.000 4.116 630 S HA -0.419 4.060 4.470 0.014 0.000 0.623 630 S C 1.130 175.823 174.600 0.156 0.000 1.933 630 S CA 1.735 60.156 58.200 0.368 0.000 4.224 630 S CB -1.864 61.707 63.200 0.617 0.000 0.208 630 S HN 0.720 nan 8.310 nan 0.000 0.527 631 Y N 2.003 122.293 120.300 -0.017 0.000 2.207 631 Y HA 0.024 4.582 4.550 0.014 0.000 0.287 631 Y C 2.369 178.209 175.900 -0.100 0.000 1.156 631 Y CA 2.351 60.373 58.100 -0.130 0.000 1.182 631 Y CB -0.899 37.326 38.460 -0.393 0.000 0.979 631 Y HN 0.528 nan 8.280 nan 0.000 0.521 632 G N -1.083 107.737 108.800 0.033 0.000 2.471 632 G HA2 -0.172 3.796 3.960 0.014 0.000 0.219 632 G HA3 -0.172 3.796 3.960 0.014 0.000 0.219 632 G C 1.785 176.706 174.900 0.034 0.000 1.125 632 G CA 0.677 45.813 45.100 0.060 0.000 0.775 632 G HN 0.568 nan 8.290 nan 0.000 0.548 633 G N -0.041 108.787 108.800 0.046 0.000 2.394 633 G HA2 -0.197 3.772 3.960 0.014 0.000 0.214 633 G HA3 -0.197 3.772 3.960 0.014 0.000 0.214 633 G C 1.514 176.429 174.900 0.025 0.000 1.176 633 G CA 0.888 46.001 45.100 0.021 0.000 0.786 633 G HN 0.440 nan 8.290 nan 0.000 0.533 634 Y N 1.115 121.314 120.300 -0.169 0.000 2.128 634 Y HA -0.205 4.354 4.550 0.014 0.000 0.284 634 Y C 2.823 178.628 175.900 -0.159 0.000 1.154 634 Y CA 1.939 59.889 58.100 -0.250 0.000 1.149 634 Y CB -0.173 37.982 38.460 -0.508 0.000 0.976 634 Y HN 0.041 nan 8.280 nan 0.000 0.505 635 V N -0.292 119.518 119.914 -0.172 0.000 2.358 635 V HA -0.312 3.817 4.120 0.014 0.000 0.246 635 V C 2.270 178.253 176.094 -0.185 0.000 1.047 635 V CA 2.351 64.535 62.300 -0.194 0.000 1.035 635 V CB -1.103 30.745 31.823 0.041 0.000 0.658 635 V HN 0.503 nan 8.190 nan 0.000 0.452 636 T N -0.033 114.462 114.554 -0.099 0.000 2.665 636 T HA -0.209 4.149 4.350 0.014 0.000 0.268 636 T C 2.134 176.770 174.700 -0.106 0.000 1.035 636 T CA 2.064 64.114 62.100 -0.084 0.000 1.151 636 T CB -0.278 68.618 68.868 0.047 0.000 0.862 636 T HN 0.511 nan 8.240 nan 0.000 0.438 637 S N 0.913 116.578 115.700 -0.058 0.000 2.368 637 S HA 0.029 4.508 4.470 0.014 0.000 0.224 637 S C 2.136 176.637 174.600 -0.166 0.000 1.029 637 S CA 0.847 59.034 58.200 -0.022 0.000 0.988 637 S CB -0.256 62.980 63.200 0.061 0.000 0.838 637 S HN 0.321 nan 8.310 nan 0.000 0.462 638 M N 0.923 120.324 119.600 -0.331 0.000 2.159 638 M HA -0.026 4.463 4.480 0.014 0.000 0.263 638 M C 2.177 178.305 176.300 -0.287 0.000 1.063 638 M CA 1.017 56.100 55.300 -0.361 0.000 1.110 638 M CB -1.248 31.015 32.600 -0.560 0.000 1.374 638 M HN 0.179 nan 8.290 nan 0.000 0.411 639 V N 0.651 120.396 119.914 -0.283 0.000 2.307 639 V HA -0.241 3.888 4.120 0.014 0.000 0.245 639 V C 2.439 178.342 176.094 -0.318 0.000 1.045 639 V CA 1.429 63.567 62.300 -0.270 0.000 1.024 639 V CB -0.529 31.076 31.823 -0.363 0.000 0.651 639 V HN 0.394 nan 8.190 nan 0.000 0.449 640 L N 0.301 121.265 121.223 -0.433 0.000 2.201 640 L HA -0.007 4.342 4.340 0.014 0.000 0.212 640 L C 2.345 178.677 176.870 -0.897 0.000 1.105 640 L CA 1.406 55.904 54.840 -0.570 0.000 0.775 640 L CB -0.785 40.919 42.059 -0.590 0.000 0.913 640 L HN 0.456 nan 8.230 nan 0.000 0.440 641 G N -1.062 107.169 108.800 -0.948 0.000 2.848 641 G HA2 -0.129 3.840 3.960 0.014 0.000 0.208 641 G HA3 -0.129 3.840 3.960 0.014 0.000 0.208 641 G C 1.617 176.319 174.900 -0.330 0.000 1.152 641 G CA 0.691 45.346 45.100 -0.742 0.000 0.789 641 G HN 0.455 nan 8.290 nan 0.000 0.531 642 S N -0.364 115.174 115.700 -0.268 0.000 2.496 642 S HA 0.272 4.751 4.470 0.014 0.000 0.224 642 S C 1.959 176.500 174.600 -0.099 0.000 0.996 642 S CA 0.992 59.109 58.200 -0.138 0.000 0.927 642 S CB -0.259 62.886 63.200 -0.092 0.000 0.774 642 S HN 1.332 nan 8.310 nan 0.000 0.524 643 G N 1.630 110.356 108.800 -0.123 0.000 2.283 643 G HA2 -0.340 3.628 3.960 0.014 0.000 0.280 643 G HA3 -0.340 3.628 3.960 0.014 0.000 0.280 643 G C 0.894 175.772 174.900 -0.036 0.000 1.029 643 G CA 0.921 45.977 45.100 -0.073 0.000 0.840 643 G HN 1.286 nan 8.290 nan 0.000 0.505 644 S N -1.198 114.491 115.700 -0.018 0.000 2.428 644 S HA 0.305 4.783 4.470 0.014 0.000 0.230 644 S C 2.461 177.057 174.600 -0.006 0.000 1.014 644 S CA 1.457 59.658 58.200 0.001 0.000 0.957 644 S CB -0.146 63.077 63.200 0.039 0.000 0.784 644 S HN 2.368 nan 8.310 nan 0.000 0.499 645 G N 0.105 108.908 108.800 0.006 0.000 2.184 645 G HA2 -0.283 3.686 3.960 0.014 0.000 0.264 645 G HA3 -0.283 3.686 3.960 0.014 0.000 0.264 645 G C 0.734 175.617 174.900 -0.028 0.000 0.975 645 G CA 0.401 45.499 45.100 -0.003 0.000 0.642 645 G HN 0.658 nan 8.290 nan 0.000 0.536 646 V N -0.654 119.226 119.914 -0.057 0.000 2.591 646 V HA 0.277 4.405 4.120 0.014 0.000 0.249 646 V C 1.061 176.930 176.094 -0.375 0.000 1.053 646 V CA 1.429 63.575 62.300 -0.256 0.000 1.068 646 V CB -0.275 31.324 31.823 -0.374 0.000 0.689 646 V HN 0.313 nan 8.190 nan 0.000 0.462 647 F N -0.149 119.814 119.950 0.021 0.000 2.444 647 F HA 0.388 4.923 4.527 0.014 0.000 0.342 647 F C 1.028 176.872 175.800 0.073 0.000 1.121 647 F CA -0.568 57.472 58.000 0.066 0.000 0.997 647 F CB 1.597 40.636 39.000 0.064 0.000 1.130 647 F HN -0.242 nan 8.300 nan 0.000 0.454 648 K N 2.050 122.615 120.400 0.276 0.000 2.076 648 K HA 0.051 4.379 4.320 0.014 0.000 0.204 648 K C 0.042 176.773 176.600 0.219 0.000 1.051 648 K CA 1.100 57.512 56.287 0.207 0.000 0.949 648 K CB 0.218 32.841 32.500 0.205 0.000 0.726 648 K HN 0.774 nan 8.250 nan 0.000 0.443 649 c N -2.313 116.452 118.600 0.276 0.000 3.288 649 c HA 0.890 5.468 4.570 0.014 0.000 0.318 649 c C -0.220 174.096 174.090 0.377 0.000 1.356 649 c CA -0.638 55.872 56.329 0.302 0.000 1.359 649 c CB 1.101 43.713 42.510 0.169 0.000 1.688 649 c HN 0.359 nan 8.230 nan 0.000 0.467 650 G N 0.317 109.416 108.800 0.498 0.000 2.696 650 G HA2 0.746 4.715 3.960 0.014 0.000 0.295 650 G HA3 0.746 4.715 3.960 0.014 0.000 0.295 650 G C -1.828 173.327 174.900 0.426 0.000 1.398 650 G CA -0.733 44.638 45.100 0.451 0.000 0.920 650 G HN 0.949 nan 8.290 nan 0.000 0.492 651 I N 0.729 121.509 120.570 0.351 0.000 2.474 651 I HA 0.633 4.812 4.170 0.014 0.000 0.294 651 I C 0.190 176.443 176.117 0.227 0.000 1.005 651 I CA -0.910 60.476 61.300 0.142 0.000 1.113 651 I CB 2.370 40.459 38.000 0.147 0.000 1.289 651 I HN 0.599 nan 8.210 nan 0.000 0.436 652 A N 6.297 129.134 122.820 0.029 0.000 2.340 652 A HA 0.711 5.040 4.320 0.014 0.000 0.297 652 A C -0.883 176.614 177.584 -0.145 0.000 1.195 652 A CA -0.486 51.573 52.037 0.038 0.000 0.769 652 A CB 0.938 20.035 19.000 0.161 0.000 1.163 652 A HN 0.418 nan 8.150 nan 0.000 0.472 653 V N 2.178 121.954 119.914 -0.230 0.000 2.394 653 V HA 0.543 4.671 4.120 0.014 0.000 0.282 653 V C 1.060 176.730 176.094 -0.708 0.000 1.031 653 V CA 0.418 62.346 62.300 -0.621 0.000 0.881 653 V CB 0.769 31.907 31.823 -1.142 0.000 0.982 653 V HN 2.068 nan 8.190 nan 0.000 0.451 654 A N 5.991 128.401 122.820 -0.683 0.000 2.415 654 A HA -0.105 4.224 4.320 0.014 0.000 0.292 654 A C -1.832 175.587 177.584 -0.274 0.000 1.452 654 A CA 0.218 51.783 52.037 -0.788 0.000 0.750 654 A CB -1.528 17.038 19.000 -0.723 0.000 1.099 654 A HN 0.621 nan 8.150 nan 0.000 0.391 655 P HA 0.377 nan 4.420 nan 0.000 0.279 655 P C 0.309 177.581 177.300 -0.046 0.000 1.239 655 P CA -0.116 62.963 63.100 -0.034 0.000 0.789 655 P CB 1.244 32.951 31.700 0.012 0.000 0.933 656 V N 2.801 122.595 119.914 -0.198 0.000 2.740 656 V HA -0.004 4.124 4.120 0.014 0.000 0.303 656 V C 1.850 177.781 176.094 -0.271 0.000 1.054 656 V CA 1.287 63.332 62.300 -0.426 0.000 1.106 656 V CB 0.632 31.811 31.823 -1.072 0.000 0.957 656 V HN 0.839 nan 8.190 nan 0.000 0.486 657 S N 4.530 120.115 115.700 -0.192 0.000 2.564 657 S HA 0.241 4.719 4.470 0.014 0.000 0.231 657 S C 0.516 175.026 174.600 -0.149 0.000 1.067 657 S CA -0.285 57.880 58.200 -0.059 0.000 0.908 657 S CB 0.323 63.537 63.200 0.024 0.000 0.809 657 S HN 0.844 nan 8.310 nan 0.000 0.491 658 R N -1.325 118.987 120.500 -0.313 0.000 2.629 658 R HA 0.338 4.687 4.340 0.014 0.000 0.266 658 R C -0.970 175.021 176.300 -0.516 0.000 1.051 658 R CA -0.864 54.947 56.100 -0.481 0.000 0.895 658 R CB -0.120 29.951 30.300 -0.382 0.000 1.246 658 R HN 0.196 nan 8.270 nan 0.000 0.459 659 W N 1.205 122.431 121.300 -0.123 0.000 2.425 659 W HA 0.010 4.679 4.660 0.014 0.000 0.277 659 W C 1.303 177.948 176.519 0.210 0.000 1.231 659 W CA 0.774 58.122 57.345 0.005 0.000 1.248 659 W CB 0.202 29.556 29.460 -0.176 0.000 1.117 659 W HN 0.741 nan 8.180 nan 0.000 0.568 660 E N -0.852 119.531 120.200 0.305 0.000 2.396 660 E HA -0.208 4.151 4.350 0.014 0.000 0.200 660 E C 1.232 177.941 176.600 0.182 0.000 1.023 660 E CA 1.066 57.559 56.400 0.156 0.000 0.857 660 E CB -0.397 29.262 29.700 -0.068 0.000 0.775 660 E HN 0.376 nan 8.360 nan 0.000 0.525 661 Y N -1.693 118.713 120.300 0.176 0.000 2.510 661 Y HA 0.121 4.680 4.550 0.014 0.000 0.273 661 Y C 0.580 176.598 175.900 0.197 0.000 1.119 661 Y CA -0.364 57.810 58.100 0.124 0.000 1.286 661 Y CB -0.229 38.247 38.460 0.027 0.000 1.061 661 Y HN 0.017 nan 8.280 nan 0.000 0.542 662 Y N 1.728 122.199 120.300 0.286 0.000 2.458 662 Y HA 0.310 4.869 4.550 0.015 0.000 0.322 662 Y C 0.123 176.264 175.900 0.403 0.000 1.259 662 Y CA -2.267 56.014 58.100 0.301 0.000 1.302 662 Y CB 0.449 39.095 38.460 0.311 0.000 1.314 662 Y HN 0.174 nan 8.280 nan 0.000 0.509 663 D N -0.327 119.844 120.400 -0.382 0.000 2.399 663 D HA 0.112 4.760 4.640 0.014 0.000 0.241 663 D C 0.977 177.281 176.300 0.007 0.000 1.133 663 D CA 0.354 54.224 54.000 -0.217 0.000 0.890 663 D CB 0.988 41.443 40.800 -0.575 0.000 1.201 663 D HN 0.513 nan 8.370 nan 0.000 0.432 664 S N 1.574 117.294 115.700 0.033 0.000 2.359 664 S HA -0.283 4.196 4.470 0.014 0.000 0.222 664 S C 1.915 176.536 174.600 0.036 0.000 1.038 664 S CA 1.412 59.661 58.200 0.083 0.000 1.051 664 S CB -1.153 62.106 63.200 0.099 0.000 0.944 664 S HN 0.454 nan 8.310 nan 0.000 0.433 665 V N 1.151 121.027 119.914 -0.062 0.000 2.231 665 V HA -0.220 3.909 4.120 0.014 0.000 0.248 665 V C 2.319 178.286 176.094 -0.212 0.000 1.054 665 V CA 2.414 64.559 62.300 -0.257 0.000 1.015 665 V CB -1.188 30.342 31.823 -0.488 0.000 0.638 665 V HN 0.611 nan 8.190 nan 0.000 0.444 666 Y N 1.095 121.285 120.300 -0.183 0.000 2.145 666 Y HA -0.255 4.304 4.550 0.014 0.000 0.286 666 Y C 2.703 178.539 175.900 -0.107 0.000 1.145 666 Y CA 2.406 60.459 58.100 -0.078 0.000 1.148 666 Y CB -0.436 38.153 38.460 0.215 0.000 0.981 666 Y HN 0.234 nan 8.280 nan 0.000 0.507 667 T N 0.168 114.871 114.554 0.249 0.000 2.737 667 T HA -0.158 4.201 4.350 0.014 0.000 0.265 667 T C 1.513 176.164 174.700 -0.081 0.000 1.038 667 T CA 1.762 63.979 62.100 0.195 0.000 1.144 667 T CB -0.246 68.890 68.868 0.447 0.000 0.866 667 T HN 0.427 nan 8.240 nan 0.000 0.434 668 E N 0.668 120.845 120.200 -0.039 0.000 2.268 668 E HA -0.066 4.293 4.350 0.014 0.000 0.195 668 E C 2.303 178.762 176.600 -0.235 0.000 0.995 668 E CA 0.321 56.695 56.400 -0.044 0.000 0.836 668 E CB -0.079 29.646 29.700 0.041 0.000 0.763 668 E HN 0.322 nan 8.360 nan 0.000 0.491 669 R N 0.258 120.441 120.500 -0.530 0.000 2.091 669 R HA -0.190 4.158 4.340 0.014 0.000 0.238 669 R C 1.159 176.923 176.300 -0.894 0.000 1.136 669 R CA 1.619 57.210 56.100 -0.849 0.000 0.959 669 R CB 0.004 29.433 30.300 -1.452 0.000 0.856 669 R HN 0.248 nan 8.270 nan 0.000 0.437 670 Y N -2.152 117.828 120.300 -0.533 0.000 2.462 670 Y HA 0.238 4.796 4.550 0.015 0.000 0.253 670 Y C 1.710 177.421 175.900 -0.315 0.000 1.095 670 Y CA -0.070 57.729 58.100 -0.502 0.000 1.283 670 Y CB 0.472 38.516 38.460 -0.694 0.000 1.138 670 Y HN -0.039 nan 8.280 nan 0.000 0.522 671 M N -0.672 118.822 119.600 -0.178 0.000 2.379 671 M HA 0.377 4.866 4.480 0.014 0.000 0.265 671 M C 1.116 177.449 176.300 0.056 0.000 1.095 671 M CA 0.880 56.085 55.300 -0.157 0.000 1.075 671 M CB -0.019 32.309 32.600 -0.454 0.000 1.443 671 M HN 0.329 nan 8.290 nan 0.000 0.519 672 G N 1.841 110.681 108.800 0.067 0.000 2.645 672 G HA2 -0.190 3.778 3.960 0.014 0.000 0.239 672 G HA3 -0.190 3.778 3.960 0.014 0.000 0.239 672 G C -0.694 174.338 174.900 0.221 0.000 1.331 672 G CA -0.867 44.306 45.100 0.122 0.000 0.890 672 G HN 0.195 nan 8.290 nan 0.000 0.572 673 L N 2.186 123.497 121.223 0.147 0.000 2.334 673 L HA 0.460 4.809 4.340 0.014 0.000 0.277 673 L C -1.263 175.563 176.870 -0.075 0.000 1.075 673 L CA -1.981 52.892 54.840 0.055 0.000 0.804 673 L CB 0.863 42.927 42.059 0.009 0.000 1.174 673 L HN 0.451 nan 8.230 nan 0.000 0.438 674 P HA 0.066 nan 4.420 nan 0.000 0.225 674 P C -0.339 176.779 177.300 -0.302 0.000 1.768 674 P CA -0.050 62.566 63.100 -0.807 0.000 0.943 674 P CB -0.452 30.566 31.700 -1.137 0.000 1.936 675 T N -3.375 111.098 114.554 -0.135 0.000 2.907 675 T HA 0.495 4.854 4.350 0.014 0.000 0.292 675 T C -2.374 172.315 174.700 -0.019 0.000 1.043 675 T CA -2.469 59.593 62.100 -0.064 0.000 1.003 675 T CB 2.103 70.947 68.868 -0.040 0.000 1.084 675 T HN -0.310 nan 8.240 nan 0.000 0.483 676 P HA -0.071 nan 4.420 nan 0.000 0.222 676 P C 1.265 178.574 177.300 0.016 0.000 1.147 676 P CA 0.767 63.872 63.100 0.008 0.000 0.790 676 P CB 0.118 31.821 31.700 0.004 0.000 0.780 677 E N -1.543 118.663 120.200 0.010 0.000 2.478 677 E HA -0.022 4.337 4.350 0.014 0.000 0.194 677 E C 0.685 177.298 176.600 0.022 0.000 1.045 677 E CA 0.596 57.004 56.400 0.013 0.000 0.868 677 E CB -0.132 29.571 29.700 0.006 0.000 0.885 677 E HN 0.227 nan 8.360 nan 0.000 0.505 678 D N 0.965 121.384 120.400 0.031 0.000 3.361 678 D HA 0.049 4.698 4.640 0.014 0.000 0.202 678 D C 0.055 176.406 176.300 0.085 0.000 1.208 678 D CA -0.251 53.781 54.000 0.052 0.000 1.397 678 D CB -0.052 40.781 40.800 0.054 0.000 0.948 678 D HN -0.026 nan 8.370 nan 0.000 0.167 679 N N 0.326 119.110 118.700 0.139 0.000 2.401 679 N HA 0.118 4.866 4.740 0.014 0.000 0.264 679 N C 0.956 176.662 175.510 0.327 0.000 1.238 679 N CA -0.088 53.100 53.050 0.229 0.000 0.889 679 N CB 0.141 38.797 38.487 0.281 0.000 1.196 679 N HN 0.133 nan 8.380 nan 0.000 0.511 680 L N 0.264 121.586 121.223 0.166 0.000 2.042 680 L HA -0.081 4.267 4.340 0.014 0.000 0.210 680 L C 1.219 178.193 176.870 0.174 0.000 1.076 680 L CA 1.912 56.822 54.840 0.117 0.000 0.749 680 L CB -0.326 41.743 42.059 0.016 0.000 0.893 680 L HN 0.109 nan 8.230 nan 0.000 0.432 681 D N -1.504 118.985 120.400 0.148 0.000 2.133 681 D HA -0.253 4.396 4.640 0.014 0.000 0.195 681 D C 2.060 178.460 176.300 0.168 0.000 0.997 681 D CA 1.723 55.801 54.000 0.129 0.000 0.840 681 D CB -0.107 40.757 40.800 0.107 0.000 0.947 681 D HN 0.577 nan 8.370 nan 0.000 0.452 682 H N -1.053 118.089 119.070 0.121 0.000 2.403 682 H HA -0.015 4.550 4.556 0.014 0.000 0.298 682 H C 1.696 177.097 175.328 0.121 0.000 1.059 682 H CA 1.143 57.242 56.048 0.084 0.000 1.363 682 H CB -0.341 29.435 29.762 0.024 0.000 1.410 682 H HN 0.144 nan 8.280 nan 0.000 0.528 683 Y N 0.704 120.987 120.300 -0.029 0.000 2.114 683 Y HA -0.260 4.299 4.550 0.015 0.000 0.282 683 Y C 2.732 178.590 175.900 -0.071 0.000 1.165 683 Y CA 1.877 59.963 58.100 -0.024 0.000 1.148 683 Y CB -0.044 38.436 38.460 0.033 0.000 0.972 683 Y HN 0.155 nan 8.280 nan 0.000 0.504 684 R N -0.254 120.318 120.500 0.120 0.000 2.073 684 R HA -0.160 4.189 4.340 0.014 0.000 0.234 684 R C 1.788 178.087 176.300 -0.002 0.000 1.134 684 R CA 1.609 57.736 56.100 0.045 0.000 0.952 684 R CB -0.591 29.738 30.300 0.048 0.000 0.850 684 R HN 0.353 nan 8.270 nan 0.000 0.433 685 N N 0.382 119.066 118.700 -0.027 0.000 2.244 685 N HA -0.100 4.649 4.740 0.014 0.000 0.183 685 N C 1.331 176.793 175.510 -0.080 0.000 1.016 685 N CA 1.441 54.470 53.050 -0.035 0.000 0.866 685 N CB -0.020 38.482 38.487 0.025 0.000 0.980 685 N HN 0.176 nan 8.380 nan 0.000 0.430 686 S N -0.982 114.606 115.700 -0.186 0.000 2.671 686 S HA 0.043 4.522 4.470 0.014 0.000 0.220 686 S C 0.617 175.256 174.600 0.065 0.000 0.951 686 S CA -0.396 57.757 58.200 -0.079 0.000 0.932 686 S CB -0.981 62.122 63.200 -0.162 0.000 0.777 686 S HN 0.295 nan 8.310 nan 0.000 0.508 687 T N -0.883 113.673 114.554 0.003 0.000 2.913 687 T HA 0.385 4.744 4.350 0.014 0.000 0.297 687 T C 1.250 175.950 174.700 0.000 0.000 1.029 687 T CA -0.187 61.910 62.100 -0.005 0.000 1.104 687 T CB 1.544 70.389 68.868 -0.038 0.000 0.964 687 T HN 0.277 nan 8.240 nan 0.000 0.532 688 V N 2.787 122.701 119.914 -0.001 0.000 2.719 688 V HA -0.042 4.087 4.120 0.014 0.000 0.252 688 V C 2.163 178.242 176.094 -0.024 0.000 1.065 688 V CA 1.334 63.620 62.300 -0.024 0.000 1.086 688 V CB -1.028 30.771 31.823 -0.041 0.000 0.700 688 V HN 0.881 nan 8.190 nan 0.000 0.467 689 M N 2.180 121.753 119.600 -0.045 0.000 2.082 689 M HA -0.154 4.335 4.480 0.014 0.000 0.258 689 M C 2.488 178.771 176.300 -0.028 0.000 1.069 689 M CA 2.558 57.823 55.300 -0.058 0.000 1.102 689 M CB -0.986 31.592 32.600 -0.036 0.000 1.336 689 M HN 0.713 nan 8.290 nan 0.000 0.404 690 S N -0.249 115.443 115.700 -0.012 0.000 2.440 690 S HA -0.146 4.332 4.470 0.014 0.000 0.238 690 S C 1.840 176.448 174.600 0.014 0.000 1.010 690 S CA 1.039 59.238 58.200 -0.001 0.000 0.972 690 S CB -0.571 62.627 63.200 -0.003 0.000 0.774 690 S HN 0.543 nan 8.310 nan 0.000 0.501 691 R N 0.469 120.991 120.500 0.036 0.000 2.334 691 R HA 0.440 4.789 4.340 0.014 0.000 0.216 691 R C 2.327 178.734 176.300 0.178 0.000 0.905 691 R CA 0.425 56.567 56.100 0.069 0.000 1.064 691 R CB -0.305 30.020 30.300 0.042 0.000 1.046 691 R HN 0.482 nan 8.270 nan 0.000 0.508 692 A N 1.792 124.688 122.820 0.126 0.000 1.915 692 A HA -0.328 4.001 4.320 0.014 0.000 0.220 692 A C 2.034 179.731 177.584 0.189 0.000 1.198 692 A CA 2.144 54.238 52.037 0.096 0.000 0.647 692 A CB -0.392 18.569 19.000 -0.065 0.000 0.825 692 A HN 0.302 nan 8.150 nan 0.000 0.456 693 E N 0.460 120.723 120.200 0.104 0.000 2.130 693 E HA -0.206 4.152 4.350 0.014 0.000 0.196 693 E C 1.618 178.272 176.600 0.090 0.000 0.998 693 E CA 1.790 58.238 56.400 0.081 0.000 0.806 693 E CB -0.292 29.435 29.700 0.045 0.000 0.738 693 E HN 0.610 nan 8.360 nan 0.000 0.459 694 N N -0.658 118.084 118.700 0.071 0.000 2.512 694 N HA -0.075 4.673 4.740 0.014 0.000 0.183 694 N C 0.863 176.323 175.510 -0.083 0.000 1.073 694 N CA 0.443 53.473 53.050 -0.033 0.000 0.911 694 N CB -0.185 38.228 38.487 -0.124 0.000 0.964 694 N HN 0.229 nan 8.380 nan 0.000 0.447 695 F N 1.453 121.353 119.950 -0.084 0.000 2.451 695 F HA 0.009 4.544 4.527 0.014 0.000 0.299 695 F C 2.049 177.848 175.800 -0.002 0.000 1.101 695 F CA 0.636 58.582 58.000 -0.091 0.000 1.436 695 F CB -0.001 38.894 39.000 -0.175 0.000 1.074 695 F HN -0.075 nan 8.300 nan 0.000 0.553 696 K N 0.081 120.577 120.400 0.160 0.000 2.218 696 K HA -0.233 4.095 4.320 0.014 0.000 0.205 696 K C 1.672 178.327 176.600 0.092 0.000 1.046 696 K CA 1.430 57.789 56.287 0.121 0.000 0.933 696 K CB -0.207 32.344 32.500 0.085 0.000 0.728 696 K HN 0.415 nan 8.250 nan 0.000 0.454 697 Q N 0.037 119.868 119.800 0.052 0.000 2.403 697 Q HA 0.020 4.369 4.340 0.014 0.000 0.203 697 Q C 0.018 176.052 176.000 0.056 0.000 0.932 697 Q CA 0.161 55.986 55.803 0.035 0.000 0.945 697 Q CB 0.604 29.341 28.738 -0.002 0.000 1.045 697 Q HN 0.139 nan 8.270 nan 0.000 0.511 698 V N -3.023 116.942 119.914 0.086 0.000 3.007 698 V HA 0.464 4.592 4.120 0.014 0.000 0.311 698 V C -1.189 175.049 176.094 0.240 0.000 1.120 698 V CA -1.354 61.025 62.300 0.132 0.000 0.980 698 V CB 2.278 34.138 31.823 0.062 0.000 1.033 698 V HN -0.065 nan 8.190 nan 0.000 0.429 699 E N 2.107 122.472 120.200 0.276 0.000 2.229 699 E HA 0.485 4.844 4.350 0.014 0.000 0.283 699 E C -1.636 175.351 176.600 0.644 0.000 1.030 699 E CA -0.197 56.439 56.400 0.392 0.000 0.836 699 E CB 1.319 31.158 29.700 0.233 0.000 1.068 699 E HN 0.678 nan 8.360 nan 0.000 0.401 700 Y N 3.302 123.890 120.300 0.480 0.000 2.425 700 Y HA 0.507 5.065 4.550 0.014 0.000 0.344 700 Y C -1.731 174.249 175.900 0.132 0.000 0.969 700 Y CA -1.592 56.721 58.100 0.353 0.000 1.052 700 Y CB 1.149 39.819 38.460 0.350 0.000 1.215 700 Y HN 0.425 nan 8.280 nan 0.000 0.451 701 L N 7.213 128.096 121.223 -0.568 0.000 2.349 701 L HA 0.621 4.970 4.340 0.014 0.000 0.278 701 L C -2.242 174.140 176.870 -0.814 0.000 0.996 701 L CA -0.770 53.590 54.840 -0.800 0.000 0.825 701 L CB 1.401 42.645 42.059 -1.357 0.000 1.243 701 L HN 0.621 nan 8.230 nan 0.000 0.412 702 L N 6.552 127.414 121.223 -0.602 0.000 2.313 702 L HA 0.695 5.044 4.340 0.014 0.000 0.283 702 L C -1.056 175.691 176.870 -0.207 0.000 1.013 702 L CA -0.055 54.507 54.840 -0.464 0.000 0.816 702 L CB 1.203 43.049 42.059 -0.354 0.000 1.236 702 L HN 0.582 nan 8.230 nan 0.000 0.419 703 I N 4.231 124.695 120.570 -0.176 0.000 2.647 703 I HA 0.468 4.647 4.170 0.014 0.000 0.295 703 I C -1.259 174.855 176.117 -0.004 0.000 1.078 703 I CA -0.795 60.459 61.300 -0.077 0.000 1.048 703 I CB 2.207 40.124 38.000 -0.139 0.000 1.239 703 I HN 0.673 nan 8.210 nan 0.000 0.421 704 H N 2.000 121.128 119.070 0.096 0.000 3.151 704 H HA 0.405 4.970 4.556 0.015 0.000 0.333 704 H C -0.433 175.121 175.328 0.377 0.000 1.093 704 H CA -0.581 55.579 56.048 0.187 0.000 1.342 704 H CB 1.829 31.688 29.762 0.162 0.000 1.983 704 H HN 0.769 nan 8.280 nan 0.000 0.503 705 G N 1.329 110.460 108.800 0.551 0.000 2.380 705 G HA2 0.201 4.170 3.960 0.014 0.000 0.262 705 G HA3 0.201 4.170 3.960 0.014 0.000 0.262 705 G C 1.186 176.330 174.900 0.407 0.000 1.243 705 G CA 0.167 45.542 45.100 0.460 0.000 0.865 705 G HN 0.746 nan 8.290 nan 0.000 0.513 706 T N -0.628 114.010 114.554 0.140 0.000 3.007 706 T HA 0.114 4.473 4.350 0.014 0.000 0.270 706 T C 1.477 176.112 174.700 -0.108 0.000 1.107 706 T CA 1.196 63.171 62.100 -0.209 0.000 1.118 706 T CB 0.180 68.852 68.868 -0.327 0.000 0.889 706 T HN 0.755 nan 8.240 nan 0.000 0.506 707 A N 1.180 124.010 122.820 0.017 0.000 3.106 707 A HA 0.355 4.684 4.320 0.014 0.000 0.306 707 A C 0.078 177.627 177.584 -0.059 0.000 1.192 707 A CA -0.602 51.393 52.037 -0.069 0.000 0.994 707 A CB -0.201 19.019 19.000 0.368 0.000 1.107 707 A HN 0.356 nan 8.150 nan 0.000 0.585 708 D N 1.555 121.934 120.400 -0.034 0.000 2.352 708 D HA 0.017 4.666 4.640 0.014 0.000 0.245 708 D C 0.337 176.651 176.300 0.024 0.000 1.224 708 D CA -0.036 54.068 54.000 0.173 0.000 0.879 708 D CB 0.779 41.837 40.800 0.431 0.000 1.057 708 D HN 0.568 nan 8.370 nan 0.000 0.491 709 D N 2.588 123.059 120.400 0.118 0.000 2.348 709 D HA -0.166 4.482 4.640 0.014 0.000 0.216 709 D C 0.903 177.262 176.300 0.099 0.000 0.970 709 D CA 0.228 54.265 54.000 0.062 0.000 0.889 709 D CB 0.456 41.221 40.800 -0.058 0.000 0.912 709 D HN 0.232 nan 8.370 nan 0.000 0.524 710 N N 0.506 119.344 118.700 0.230 0.000 2.433 710 N HA -0.028 4.721 4.740 0.014 0.000 0.213 710 N C -0.186 175.349 175.510 0.042 0.000 1.032 710 N CA 0.375 53.591 53.050 0.277 0.000 1.047 710 N CB 0.420 39.003 38.487 0.159 0.000 1.293 710 N HN -0.102 nan 8.380 nan 0.000 0.524 711 V N 2.936 122.884 119.914 0.057 0.000 2.334 711 V HA 0.205 4.334 4.120 0.014 0.000 0.267 711 V C -0.563 175.644 176.094 0.187 0.000 1.040 711 V CA -0.384 61.968 62.300 0.087 0.000 0.866 711 V CB -0.203 31.711 31.823 0.151 0.000 1.019 711 V HN 0.300 nan 8.190 nan 0.000 0.468 712 H N 3.554 122.675 119.070 0.085 0.000 2.815 712 H HA 0.055 4.620 4.556 0.015 0.000 0.350 712 H C 0.776 176.016 175.328 -0.147 0.000 1.080 712 H CA -0.256 55.760 56.048 -0.054 0.000 1.433 712 H CB 0.778 30.407 29.762 -0.220 0.000 1.432 712 H HN 0.625 nan 8.280 nan 0.000 0.592 713 F N 2.027 121.790 119.950 -0.310 0.000 2.141 713 F HA -0.355 4.181 4.527 0.014 0.000 0.300 713 F C 2.562 178.074 175.800 -0.480 0.000 1.079 713 F CA 1.957 59.517 58.000 -0.733 0.000 1.264 713 F CB -0.205 38.570 39.000 -0.376 0.000 1.011 713 F HN 0.680 nan 8.300 nan 0.000 0.487 714 Q N 0.119 119.782 119.800 -0.228 0.000 2.103 714 Q HA -0.352 3.997 4.340 0.014 0.000 0.213 714 Q C 2.200 177.915 176.000 -0.476 0.000 1.008 714 Q CA 2.621 58.216 55.803 -0.346 0.000 0.879 714 Q CB -0.403 28.117 28.738 -0.364 0.000 0.946 714 Q HN 0.581 nan 8.270 nan 0.000 0.413 715 Q N -0.411 119.154 119.800 -0.392 0.000 2.096 715 Q HA -0.166 4.183 4.340 0.014 0.000 0.208 715 Q C 2.277 178.142 176.000 -0.225 0.000 0.993 715 Q CA 1.889 57.562 55.803 -0.217 0.000 0.862 715 Q CB -0.299 28.422 28.738 -0.028 0.000 0.915 715 Q HN 0.333 nan 8.270 nan 0.000 0.416 716 S N 0.482 115.957 115.700 -0.376 0.000 2.387 716 S HA -0.014 4.465 4.470 0.014 0.000 0.226 716 S C 2.037 176.346 174.600 -0.485 0.000 1.026 716 S CA 0.744 58.712 58.200 -0.385 0.000 0.972 716 S CB -0.138 62.818 63.200 -0.408 0.000 0.814 716 S HN 0.497 nan 8.310 nan 0.000 0.477 717 A N 1.320 123.724 122.820 -0.693 0.000 1.978 717 A HA -0.155 4.173 4.320 0.014 0.000 0.220 717 A C 2.117 179.557 177.584 -0.240 0.000 1.170 717 A CA 1.234 52.997 52.037 -0.457 0.000 0.636 717 A CB -0.430 18.356 19.000 -0.357 0.000 0.810 717 A HN 0.366 nan 8.150 nan 0.000 0.448 718 Q N -0.456 119.207 119.800 -0.227 0.000 2.123 718 Q HA -0.003 4.346 4.340 0.014 0.000 0.199 718 Q C 2.145 178.078 176.000 -0.112 0.000 0.966 718 Q CA 1.051 56.785 55.803 -0.115 0.000 0.845 718 Q CB -0.342 28.380 28.738 -0.026 0.000 0.907 718 Q HN 0.783 nan 8.270 nan 0.000 0.439 719 I N 1.079 121.556 120.570 -0.155 0.000 2.179 719 I HA -0.278 3.901 4.170 0.014 0.000 0.242 719 I C 2.527 178.476 176.117 -0.281 0.000 1.088 719 I CA 1.511 62.683 61.300 -0.213 0.000 1.357 719 I CB -0.446 37.430 38.000 -0.207 0.000 1.051 719 I HN 0.190 nan 8.210 nan 0.000 0.409 720 S N 0.905 116.471 115.700 -0.222 0.000 2.368 720 S HA -0.269 4.210 4.470 0.014 0.000 0.225 720 S C 2.035 176.612 174.600 -0.038 0.000 1.030 720 S CA 1.424 59.541 58.200 -0.137 0.000 0.999 720 S CB -0.433 62.836 63.200 0.114 0.000 0.844 720 S HN 0.378 nan 8.310 nan 0.000 0.459 721 K N 1.765 122.136 120.400 -0.049 0.000 2.057 721 K HA 0.003 4.332 4.320 0.014 0.000 0.207 721 K C 2.294 178.873 176.600 -0.035 0.000 1.049 721 K CA 1.207 57.483 56.287 -0.018 0.000 0.931 721 K CB -0.727 31.757 32.500 -0.027 0.000 0.714 721 K HN 0.439 nan 8.250 nan 0.000 0.440 722 A N 1.303 124.071 122.820 -0.087 0.000 1.877 722 A HA -0.128 4.201 4.320 0.014 0.000 0.216 722 A C 2.134 179.649 177.584 -0.115 0.000 1.186 722 A CA 1.471 53.451 52.037 -0.095 0.000 0.620 722 A CB -0.701 18.226 19.000 -0.121 0.000 0.822 722 A HN 0.331 nan 8.150 nan 0.000 0.443 723 L N -0.487 120.603 121.223 -0.222 0.000 2.012 723 L HA -0.195 4.153 4.340 0.014 0.000 0.210 723 L C 2.566 179.450 176.870 0.023 0.000 1.073 723 L CA 1.360 56.070 54.840 -0.216 0.000 0.748 723 L CB -0.879 40.812 42.059 -0.614 0.000 0.891 723 L HN 0.253 nan 8.230 nan 0.000 0.431 724 V N 0.014 119.992 119.914 0.106 0.000 2.252 724 V HA -0.342 3.786 4.120 0.014 0.000 0.249 724 V C 2.149 178.286 176.094 0.073 0.000 1.056 724 V CA 2.155 64.540 62.300 0.143 0.000 1.022 724 V CB -0.603 31.297 31.823 0.128 0.000 0.641 724 V HN 0.461 nan 8.190 nan 0.000 0.445 725 D N 0.146 120.568 120.400 0.036 0.000 2.221 725 D HA -0.117 4.532 4.640 0.014 0.000 0.204 725 D C 1.764 178.080 176.300 0.026 0.000 0.982 725 D CA 1.782 55.796 54.000 0.024 0.000 0.857 725 D CB -0.101 40.704 40.800 0.009 0.000 0.934 725 D HN 0.588 nan 8.370 nan 0.000 0.475 726 V N -3.947 115.984 119.914 0.028 0.000 3.483 726 V HA 0.513 4.642 4.120 0.014 0.000 0.301 726 V C 1.230 177.356 176.094 0.053 0.000 1.389 726 V CA 0.422 62.743 62.300 0.034 0.000 1.101 726 V CB 0.101 31.941 31.823 0.028 0.000 0.971 726 V HN 0.148 nan 8.190 nan 0.000 0.434 727 G N 0.416 109.257 108.800 0.068 0.000 2.160 727 G HA2 -0.195 3.774 3.960 0.014 0.000 0.244 727 G HA3 -0.195 3.774 3.960 0.014 0.000 0.244 727 G C -0.022 174.943 174.900 0.109 0.000 1.022 727 G CA 0.161 45.310 45.100 0.081 0.000 0.741 727 G HN 0.855 nan 8.290 nan 0.000 0.508 728 V N 0.825 120.823 119.914 0.140 0.000 2.432 728 V HA 0.410 4.539 4.120 0.014 0.000 0.271 728 V C 0.495 176.777 176.094 0.313 0.000 1.046 728 V CA -0.327 62.089 62.300 0.194 0.000 0.945 728 V CB 1.583 33.505 31.823 0.165 0.000 0.992 728 V HN 0.422 nan 8.190 nan 0.000 0.471 729 D N 4.531 125.088 120.400 0.262 0.000 2.304 729 D HA 0.555 5.203 4.640 0.014 0.000 0.250 729 D C -0.460 176.074 176.300 0.391 0.000 1.107 729 D CA 0.132 54.279 54.000 0.244 0.000 0.885 729 D CB 0.687 41.559 40.800 0.120 0.000 1.192 729 D HN 0.355 nan 8.370 nan 0.000 0.436 730 F N -0.418 119.604 119.950 0.119 0.000 2.789 730 F HA 0.522 5.057 4.527 0.014 0.000 0.319 730 F C -1.161 174.691 175.800 0.086 0.000 1.168 730 F CA -1.133 56.960 58.000 0.155 0.000 0.934 730 F CB 0.995 40.115 39.000 0.201 0.000 1.375 730 F HN 0.129 nan 8.300 nan 0.000 0.480 731 Q N 1.094 120.966 119.800 0.120 0.000 2.342 731 Q HA 0.804 5.152 4.340 0.014 0.000 0.267 731 Q C -1.084 174.878 176.000 -0.064 0.000 1.038 731 Q CA -1.258 54.513 55.803 -0.054 0.000 0.832 731 Q CB 2.429 31.192 28.738 0.041 0.000 1.323 731 Q HN 0.939 nan 8.270 nan 0.000 0.448 732 A N 1.936 124.691 122.820 -0.109 0.000 2.485 732 A HA 0.924 5.253 4.320 0.014 0.000 0.292 732 A C -1.394 176.113 177.584 -0.129 0.000 1.147 732 A CA -0.601 51.402 52.037 -0.056 0.000 0.750 732 A CB 1.987 21.007 19.000 0.034 0.000 1.331 732 A HN 0.637 nan 8.150 nan 0.000 0.419 733 M N 0.642 120.157 119.600 -0.142 0.000 2.319 733 M HA 0.504 4.993 4.480 0.014 0.000 0.265 733 M C -1.991 174.179 176.300 -0.217 0.000 1.038 733 M CA -0.515 54.550 55.300 -0.392 0.000 0.946 733 M CB 0.956 33.249 32.600 -0.512 0.000 1.984 733 M HN 0.948 nan 8.290 nan 0.000 0.482 734 W N 3.940 125.073 121.300 -0.279 0.000 2.497 734 W HA 0.808 5.477 4.660 0.015 0.000 0.359 734 W C -1.828 174.401 176.519 -0.484 0.000 1.131 734 W CA -0.752 56.502 57.345 -0.150 0.000 1.280 734 W CB 0.380 29.785 29.460 -0.092 0.000 1.319 734 W HN 0.608 nan 8.180 nan 0.000 0.626 735 Y N 1.588 122.032 120.300 0.241 0.000 2.426 735 Y HA 0.284 4.843 4.550 0.015 0.000 0.325 735 Y C 0.362 176.369 175.900 0.178 0.000 0.989 735 Y CA -1.225 56.939 58.100 0.107 0.000 1.284 735 Y CB 1.279 39.763 38.460 0.040 0.000 1.104 735 Y HN 0.410 nan 8.280 nan 0.000 0.481 736 T N 4.660 119.388 114.554 0.290 0.000 2.750 736 T HA -0.051 4.308 4.350 0.014 0.000 0.277 736 T C 0.226 174.974 174.700 0.082 0.000 0.996 736 T CA 0.949 63.134 62.100 0.143 0.000 1.195 736 T CB -0.189 68.709 68.868 0.051 0.000 0.963 736 T HN 0.724 nan 8.240 nan 0.000 0.516 737 D N 0.591 120.998 120.400 0.012 0.000 2.978 737 D HA -0.125 4.524 4.640 0.014 0.000 0.205 737 D C 0.320 176.721 176.300 0.168 0.000 1.093 737 D CA 1.189 55.114 54.000 -0.126 0.000 1.006 737 D CB -0.412 40.103 40.800 -0.476 0.000 1.116 737 D HN 0.546 nan 8.370 nan 0.000 0.419 738 E N 1.047 121.374 120.200 0.211 0.000 2.366 738 E HA 0.330 4.688 4.350 0.014 0.000 0.266 738 E C 0.787 177.563 176.600 0.292 0.000 1.051 738 E CA -0.051 56.503 56.400 0.257 0.000 0.884 738 E CB 0.880 30.729 29.700 0.248 0.000 1.006 738 E HN 0.413 nan 8.360 nan 0.000 0.417 739 D N -0.485 120.107 120.400 0.319 0.000 2.509 739 D HA 0.024 4.673 4.640 0.014 0.000 0.275 739 D C 1.050 177.586 176.300 0.393 0.000 1.189 739 D CA -0.194 54.021 54.000 0.358 0.000 1.098 739 D CB -0.217 40.824 40.800 0.402 0.000 1.177 739 D HN 0.422 nan 8.370 nan 0.000 0.599 740 H N -1.571 117.693 119.070 0.322 0.000 2.456 740 H HA 0.110 4.675 4.556 0.015 0.000 0.296 740 H C 1.960 177.548 175.328 0.433 0.000 1.079 740 H CA 2.060 58.325 56.048 0.361 0.000 1.322 740 H CB -0.353 29.602 29.762 0.322 0.000 1.388 740 H HN 0.470 nan 8.280 nan 0.000 0.538 741 G N -0.034 108.962 108.800 0.328 0.000 2.430 741 G HA2 -0.028 3.941 3.960 0.014 0.000 0.216 741 G HA3 -0.028 3.941 3.960 0.014 0.000 0.216 741 G C 0.521 175.614 174.900 0.322 0.000 1.146 741 G CA 0.385 45.591 45.100 0.177 0.000 0.793 741 G HN 0.512 nan 8.290 nan 0.000 0.537 742 I N 0.131 120.903 120.570 0.336 0.000 7.063 742 I HA -0.294 3.884 4.170 0.014 0.000 0.126 742 I C 1.431 177.676 176.117 0.214 0.000 1.739 742 I CA 0.110 61.553 61.300 0.238 0.000 2.259 742 I CB -1.420 36.681 38.000 0.168 0.000 3.408 742 I HN 0.276 nan 8.210 nan 0.000 0.232 743 A N 1.314 124.242 122.820 0.181 0.000 2.197 743 A HA 0.230 4.558 4.320 0.014 0.000 0.210 743 A C 1.188 178.838 177.584 0.109 0.000 1.180 743 A CA 0.383 52.505 52.037 0.140 0.000 0.846 743 A CB 0.235 19.301 19.000 0.110 0.000 0.884 743 A HN 0.493 nan 8.150 nan 0.000 0.487 744 S N 1.150 116.922 115.700 0.119 0.000 2.626 744 S HA 0.055 4.534 4.470 0.014 0.000 0.303 744 S C 1.422 176.080 174.600 0.096 0.000 1.256 744 S CA 0.513 58.773 58.200 0.100 0.000 1.069 744 S CB 0.839 64.102 63.200 0.104 0.000 0.807 744 S HN 0.613 nan 8.310 nan 0.000 0.500 745 S N 3.843 119.579 115.700 0.060 0.000 2.433 745 S HA -0.325 4.154 4.470 0.014 0.000 0.276 745 S C 2.324 176.981 174.600 0.096 0.000 1.122 745 S CA 2.720 60.951 58.200 0.050 0.000 1.277 745 S CB -1.246 61.971 63.200 0.028 0.000 1.198 745 S HN 1.012 nan 8.310 nan 0.000 0.440 746 T N 0.037 114.640 114.554 0.082 0.000 2.746 746 T HA 0.084 4.443 4.350 0.014 0.000 0.267 746 T C 1.973 176.735 174.700 0.103 0.000 1.039 746 T CA 1.810 63.963 62.100 0.089 0.000 1.142 746 T CB -1.106 67.805 68.868 0.072 0.000 0.866 746 T HN 0.626 nan 8.240 nan 0.000 0.444 747 A N 1.934 124.800 122.820 0.076 0.000 1.877 747 A HA -0.170 4.159 4.320 0.014 0.000 0.216 747 A C 2.372 179.912 177.584 -0.073 0.000 1.186 747 A CA 1.778 53.801 52.037 -0.023 0.000 0.620 747 A CB -1.381 17.590 19.000 -0.048 0.000 0.822 747 A HN 0.773 nan 8.150 nan 0.000 0.443 748 H N -0.233 118.819 119.070 -0.031 0.000 2.289 748 H HA -0.226 4.338 4.556 0.014 0.000 0.294 748 H C 2.126 177.515 175.328 0.102 0.000 1.095 748 H CA 2.480 58.564 56.048 0.060 0.000 1.256 748 H CB -0.194 29.612 29.762 0.073 0.000 1.359 748 H HN 0.622 nan 8.280 nan 0.000 0.487 749 Q N -0.831 119.023 119.800 0.091 0.000 2.050 749 Q HA -0.176 4.173 4.340 0.014 0.000 0.202 749 Q C 2.571 178.580 176.000 0.014 0.000 0.980 749 Q CA 1.494 57.312 55.803 0.024 0.000 0.840 749 Q CB -0.226 28.551 28.738 0.066 0.000 0.898 749 Q HN 0.580 nan 8.270 nan 0.000 0.424 750 H N 0.329 119.384 119.070 -0.025 0.000 2.319 750 H HA -0.146 4.419 4.556 0.015 0.000 0.299 750 H C 2.125 177.455 175.328 0.003 0.000 1.092 750 H CA 1.730 57.792 56.048 0.024 0.000 1.302 750 H CB -0.103 29.723 29.762 0.108 0.000 1.373 750 H HN 0.323 nan 8.280 nan 0.000 0.497 751 I N 0.053 120.586 120.570 -0.061 0.000 2.179 751 I HA -0.323 3.856 4.170 0.014 0.000 0.242 751 I C 1.926 177.826 176.117 -0.361 0.000 1.088 751 I CA 1.286 62.461 61.300 -0.209 0.000 1.357 751 I CB -0.320 37.351 38.000 -0.548 0.000 1.051 751 I HN 0.171 nan 8.210 nan 0.000 0.409 752 Y N 0.947 121.028 120.300 -0.366 0.000 2.224 752 Y HA -0.251 4.308 4.550 0.016 0.000 0.289 752 Y C 2.707 178.429 175.900 -0.296 0.000 1.146 752 Y CA 2.050 59.843 58.100 -0.511 0.000 1.182 752 Y CB -0.703 37.455 38.460 -0.504 0.000 0.983 752 Y HN 0.181 nan 8.280 nan 0.000 0.524 753 T N -1.638 112.868 114.554 -0.080 0.000 2.708 753 T HA -0.260 4.099 4.350 0.014 0.000 0.266 753 T C 1.504 176.140 174.700 -0.107 0.000 1.037 753 T CA 1.898 63.917 62.100 -0.134 0.000 1.146 753 T CB -0.533 68.263 68.868 -0.120 0.000 0.865 753 T HN 0.411 nan 8.240 nan 0.000 0.435 754 H N 1.033 120.017 119.070 -0.144 0.000 2.319 754 H HA 0.048 4.612 4.556 0.014 0.000 0.299 754 H C 2.188 177.524 175.328 0.014 0.000 1.092 754 H CA 1.661 57.687 56.048 -0.036 0.000 1.302 754 H CB -0.278 29.435 29.762 -0.082 0.000 1.373 754 H HN 0.275 nan 8.280 nan 0.000 0.497 755 M N -0.958 118.617 119.600 -0.043 0.000 2.175 755 M HA -0.149 4.340 4.480 0.014 0.000 0.264 755 M C 2.432 178.872 176.300 0.234 0.000 1.063 755 M CA 1.445 56.724 55.300 -0.035 0.000 1.119 755 M CB -0.067 32.274 32.600 -0.432 0.000 1.377 755 M HN 0.177 nan 8.290 nan 0.000 0.415 756 S N -0.502 115.357 115.700 0.266 0.000 2.370 756 S HA -0.155 4.324 4.470 0.014 0.000 0.226 756 S C 1.728 176.415 174.600 0.146 0.000 1.033 756 S CA 1.062 59.474 58.200 0.353 0.000 1.011 756 S CB -0.577 62.799 63.200 0.293 0.000 0.852 756 S HN 0.458 nan 8.310 nan 0.000 0.457 757 H N -0.298 118.842 119.070 0.117 0.000 2.357 757 H HA -0.001 4.564 4.556 0.015 0.000 0.301 757 H C 1.964 177.305 175.328 0.021 0.000 1.082 757 H CA 1.188 57.256 56.048 0.034 0.000 1.342 757 H CB -0.663 29.067 29.762 -0.053 0.000 1.389 757 H HN 0.453 nan 8.280 nan 0.000 0.511 758 F N 1.272 121.216 119.950 -0.010 0.000 2.102 758 F HA -0.175 4.361 4.527 0.014 0.000 0.298 758 F C 2.285 178.044 175.800 -0.068 0.000 1.105 758 F CA 0.917 58.880 58.000 -0.062 0.000 1.239 758 F CB -0.251 38.691 39.000 -0.096 0.000 0.991 758 F HN -0.041 nan 8.300 nan 0.000 0.474 759 I N 0.563 121.155 120.570 0.037 0.000 2.315 759 I HA -0.252 3.926 4.170 0.014 0.000 0.248 759 I C 2.192 178.124 176.117 -0.308 0.000 1.117 759 I CA 1.442 62.594 61.300 -0.247 0.000 1.404 759 I CB -1.219 36.709 38.000 -0.119 0.000 1.071 759 I HN 0.228 nan 8.210 nan 0.000 0.419 760 K N 0.150 120.515 120.400 -0.058 0.000 2.148 760 K HA -0.185 4.144 4.320 0.014 0.000 0.204 760 K C 2.117 178.725 176.600 0.013 0.000 1.050 760 K CA 1.033 57.344 56.287 0.040 0.000 0.942 760 K CB -0.046 32.520 32.500 0.110 0.000 0.724 760 K HN 0.335 nan 8.250 nan 0.000 0.446 761 Q N 0.073 119.830 119.800 -0.071 0.000 2.062 761 Q HA -0.137 4.212 4.340 0.014 0.000 0.196 761 Q C 2.254 178.173 176.000 -0.136 0.000 0.967 761 Q CA 1.166 56.916 55.803 -0.089 0.000 0.832 761 Q CB -0.045 28.616 28.738 -0.128 0.000 0.899 761 Q HN 0.402 nan 8.270 nan 0.000 0.442 762 c N -0.121 118.290 118.600 -0.316 0.000 2.422 762 c HA -0.071 4.508 4.570 0.014 0.000 0.286 762 c C 1.492 175.602 174.090 0.033 0.000 1.412 762 c CA 0.480 56.631 56.329 -0.297 0.000 1.786 762 c CB -0.948 41.207 42.510 -0.591 0.000 1.835 762 c HN 0.480 nan 8.230 nan 0.000 0.533 763 F N 0.879 120.796 119.950 -0.055 0.000 2.682 763 F HA 0.273 4.808 4.527 0.014 0.000 0.308 763 F C 1.645 177.438 175.800 -0.012 0.000 1.093 763 F CA 0.266 58.256 58.000 -0.017 0.000 1.244 763 F CB -0.847 38.152 39.000 -0.001 0.000 1.052 763 F HN 0.220 nan 8.300 nan 0.000 0.573 764 S N 0.484 116.279 115.700 0.158 0.000 3.490 764 S HA -0.212 4.267 4.470 0.014 0.000 0.301 764 S C 0.117 174.766 174.600 0.083 0.000 1.233 764 S CA 0.173 58.425 58.200 0.086 0.000 0.914 764 S CB -2.232 61.004 63.200 0.060 0.000 1.047 764 S HN 0.231 nan 8.310 nan 0.000 0.602 765 L N 1.971 123.262 121.223 0.114 0.000 2.278 765 L HA 0.388 4.737 4.340 0.014 0.000 0.287 765 L C -1.655 175.267 176.870 0.086 0.000 1.072 765 L CA -1.854 53.045 54.840 0.098 0.000 0.819 765 L CB 0.291 42.425 42.059 0.125 0.000 1.176 765 L HN -0.014 nan 8.230 nan 0.000 0.435 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.139 63.100 0.065 0.000 0.800 766 P CB 0.000 31.729 31.700 0.048 0.000 0.726