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 3o9v_1_D 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 0.000 176.349 176.300 0.081 0.000 0.893 40 R CA 0.000 56.143 56.100 0.072 0.000 0.921 40 R CB 0.000 30.338 30.300 0.064 0.000 0.687 41 K N 0.566 121.024 120.400 0.095 0.000 2.533 41 K HA 0.484 4.804 4.320 0.001 0.000 0.272 41 K C -0.624 176.053 176.600 0.129 0.000 0.985 41 K CA -0.764 55.587 56.287 0.107 0.000 0.876 41 K CB 1.933 34.495 32.500 0.102 0.000 1.452 41 K HN 0.268 nan 8.250 nan 0.000 0.439 42 T N -1.955 112.683 114.554 0.140 0.000 2.862 42 T HA 0.191 4.542 4.350 0.001 0.000 0.276 42 T C -0.387 174.451 174.700 0.229 0.000 0.974 42 T CA -0.580 61.618 62.100 0.164 0.000 0.966 42 T CB 0.383 69.341 68.868 0.150 0.000 1.072 42 T HN 0.508 nan 8.240 nan 0.000 0.538 43 Y N 2.578 122.949 120.300 0.119 0.000 2.585 43 Y HA 0.341 4.891 4.550 0.001 0.000 0.354 43 Y C 0.999 177.066 175.900 0.280 0.000 1.024 43 Y CA -0.500 57.709 58.100 0.182 0.000 1.321 43 Y CB -0.525 37.990 38.460 0.092 0.000 1.151 43 Y HN 0.982 nan 8.280 nan 0.000 0.525 44 T N 2.249 116.816 114.554 0.023 0.000 2.816 44 T HA 0.095 4.445 4.350 0.001 0.000 0.282 44 T C 1.079 175.719 174.700 -0.100 0.000 0.993 44 T CA -0.671 61.488 62.100 0.099 0.000 0.994 44 T CB 1.170 70.064 68.868 0.044 0.000 1.025 44 T HN 0.690 nan 8.240 nan 0.000 0.529 45 L N 1.210 122.228 121.223 -0.342 0.000 2.042 45 L HA -0.002 4.339 4.340 0.001 0.000 0.210 45 L C 2.631 179.360 176.870 -0.235 0.000 1.076 45 L CA 2.150 56.637 54.840 -0.589 0.000 0.749 45 L CB -1.484 40.067 42.059 -0.847 0.000 0.893 45 L HN 0.954 nan 8.230 nan 0.000 0.432 46 T N -0.531 113.915 114.554 -0.180 0.000 2.833 46 T HA -0.147 4.203 4.350 0.001 0.000 0.269 46 T C 1.469 176.083 174.700 -0.144 0.000 1.054 46 T CA 1.312 63.334 62.100 -0.129 0.000 1.135 46 T CB -0.354 68.462 68.868 -0.086 0.000 0.869 46 T HN 0.420 nan 8.240 nan 0.000 0.466 47 D N 0.264 120.548 120.400 -0.193 0.000 2.092 47 D HA -0.104 4.536 4.640 0.001 0.000 0.193 47 D C 1.769 177.948 176.300 -0.201 0.000 0.994 47 D CA 1.157 55.005 54.000 -0.254 0.000 0.828 47 D CB -0.474 40.089 40.800 -0.394 0.000 0.963 47 D HN 0.387 nan 8.370 nan 0.000 0.450 48 Y N 1.739 121.816 120.300 -0.372 0.000 2.070 48 Y HA -0.187 4.364 4.550 0.001 0.000 0.280 48 Y C 2.304 178.207 175.900 0.004 0.000 1.148 48 Y CA 1.396 59.474 58.100 -0.038 0.000 1.125 48 Y CB -0.760 37.749 38.460 0.082 0.000 0.975 48 Y HN -0.080 nan 8.280 nan 0.000 0.492 49 L N -0.069 120.973 121.223 -0.301 0.000 2.046 49 L HA -0.207 4.134 4.340 0.001 0.000 0.208 49 L C 2.344 179.088 176.870 -0.211 0.000 1.077 49 L CA 1.518 56.137 54.840 -0.368 0.000 0.747 49 L CB -0.529 41.406 42.059 -0.207 0.000 0.896 49 L HN 0.141 nan 8.230 nan 0.000 0.432 50 K N -0.349 119.963 120.400 -0.147 0.000 2.365 50 K HA -0.026 4.295 4.320 0.001 0.000 0.197 50 K C 0.483 177.030 176.600 -0.088 0.000 1.042 50 K CA 0.160 56.387 56.287 -0.100 0.000 0.987 50 K CB -0.277 32.169 32.500 -0.090 0.000 0.779 50 K HN 0.337 nan 8.250 nan 0.000 0.484 51 N N 1.122 119.774 118.700 -0.080 0.000 2.862 51 N HA -0.151 4.589 4.740 0.001 0.000 0.246 51 N C 0.020 175.514 175.510 -0.027 0.000 1.101 51 N CA 0.407 53.446 53.050 -0.018 0.000 0.679 51 N CB -0.802 37.668 38.487 -0.028 0.000 0.986 51 N HN 0.074 nan 8.380 nan 0.000 0.557 52 T N -0.367 114.132 114.554 -0.092 0.000 2.674 52 T HA -0.135 4.216 4.350 0.001 0.000 0.265 52 T C 0.472 175.002 174.700 -0.283 0.000 1.039 52 T CA 1.369 63.307 62.100 -0.270 0.000 1.150 52 T CB -0.179 68.378 68.868 -0.517 0.000 0.864 52 T HN 0.374 nan 8.240 nan 0.000 0.427 53 Y N 2.255 122.645 120.300 0.151 0.000 2.751 53 Y HA 0.452 5.003 4.550 0.001 0.000 0.333 53 Y C 0.630 176.627 175.900 0.162 0.000 1.122 53 Y CA -1.034 57.173 58.100 0.179 0.000 1.367 53 Y CB -0.099 38.522 38.460 0.268 0.000 1.242 53 Y HN -0.037 nan 8.280 nan 0.000 0.505 54 R N 2.141 122.761 120.500 0.200 0.000 2.539 54 R HA 0.403 4.743 4.340 0.001 0.000 0.275 54 R C -1.134 175.264 176.300 0.163 0.000 1.077 54 R CA -0.686 55.503 56.100 0.148 0.000 1.097 54 R CB 0.511 30.861 30.300 0.084 0.000 1.018 54 R HN 0.606 nan 8.270 nan 0.000 0.483 55 L N 4.248 125.559 121.223 0.146 0.000 2.277 55 L HA 0.314 4.655 4.340 0.001 0.000 0.284 55 L C -0.688 176.253 176.870 0.120 0.000 1.028 55 L CA -0.019 54.914 54.840 0.155 0.000 0.835 55 L CB 0.951 43.110 42.059 0.166 0.000 1.215 55 L HN 0.518 nan 8.230 nan 0.000 0.425 56 K N 4.292 124.757 120.400 0.109 0.000 2.368 56 K HA 0.358 4.678 4.320 0.001 0.000 0.282 56 K C -0.659 175.964 176.600 0.039 0.000 1.035 56 K CA -0.246 56.079 56.287 0.063 0.000 0.973 56 K CB 0.711 33.243 32.500 0.054 0.000 0.957 56 K HN 0.367 nan 8.250 nan 0.000 0.474 57 L N 2.281 123.471 121.223 -0.056 0.000 2.397 57 L HA 0.406 4.746 4.340 0.001 0.000 0.266 57 L C -0.744 175.850 176.870 -0.461 0.000 1.040 57 L CA -0.533 54.158 54.840 -0.248 0.000 0.800 57 L CB 0.360 42.370 42.059 -0.082 0.000 1.324 57 L HN 0.466 nan 8.230 nan 0.000 0.469 58 Y N 0.181 119.917 120.300 -0.941 0.000 2.541 58 Y HA 0.368 4.919 4.550 0.002 0.000 0.350 58 Y C -0.388 175.311 175.900 -0.335 0.000 1.075 58 Y CA -0.395 57.336 58.100 -0.615 0.000 1.302 58 Y CB 1.393 39.422 38.460 -0.718 0.000 1.094 58 Y HN 0.465 nan 8.280 nan 0.000 0.579 59 S N 5.858 121.360 115.700 -0.329 0.000 2.430 59 S HA 0.683 5.154 4.470 0.001 0.000 0.289 59 S C -0.928 173.563 174.600 -0.181 0.000 1.143 59 S CA -0.465 57.638 58.200 -0.162 0.000 1.067 59 S CB -0.325 62.824 63.200 -0.086 0.000 0.964 59 S HN 0.585 nan 8.310 nan 0.000 0.485 60 L N 3.239 124.376 121.223 -0.142 0.000 2.388 60 L HA 0.768 5.109 4.340 0.001 0.000 0.264 60 L C -0.574 176.239 176.870 -0.095 0.000 0.998 60 L CA -0.870 53.887 54.840 -0.139 0.000 0.817 60 L CB 1.680 43.451 42.059 -0.479 0.000 1.338 60 L HN 0.460 nan 8.230 nan 0.000 0.414 61 R N 1.742 122.250 120.500 0.015 0.000 2.337 61 R HA 0.377 4.718 4.340 0.001 0.000 0.319 61 R C -1.471 174.908 176.300 0.133 0.000 0.954 61 R CA -0.377 55.774 56.100 0.085 0.000 0.840 61 R CB 1.028 31.404 30.300 0.127 0.000 1.164 61 R HN 0.691 nan 8.270 nan 0.000 0.472 62 W N 3.704 125.130 121.300 0.210 0.000 2.170 62 W HA 0.048 4.708 4.660 0.001 0.000 0.342 62 W C 1.589 178.208 176.519 0.166 0.000 1.294 62 W CA -0.160 57.320 57.345 0.225 0.000 1.246 62 W CB 0.428 30.009 29.460 0.202 0.000 1.156 62 W HN 0.642 nan 8.180 nan 0.000 0.572 63 I N -0.868 119.957 120.570 0.425 0.000 4.655 63 I HA 0.293 4.463 4.170 0.001 0.000 0.333 63 I C 0.464 176.705 176.117 0.207 0.000 1.312 63 I CA -0.203 61.237 61.300 0.233 0.000 1.270 63 I CB 0.068 38.129 38.000 0.101 0.000 1.318 63 I HN 0.251 nan 8.210 nan 0.000 0.456 64 S N -0.427 115.446 115.700 0.288 0.000 2.819 64 S HA 0.356 4.827 4.470 0.001 0.000 0.299 64 S C 0.079 174.823 174.600 0.239 0.000 1.192 64 S CA -0.142 58.196 58.200 0.230 0.000 0.847 64 S CB 1.763 65.088 63.200 0.208 0.000 1.224 64 S HN 0.043 nan 8.310 nan 0.000 0.537 65 D N -0.575 119.940 120.400 0.191 0.000 2.219 65 D HA -0.016 4.625 4.640 0.001 0.000 0.205 65 D C 1.258 177.590 176.300 0.054 0.000 0.970 65 D CA 1.441 55.471 54.000 0.049 0.000 0.851 65 D CB -0.100 40.702 40.800 0.004 0.000 0.943 65 D HN 0.626 nan 8.370 nan 0.000 0.488 66 H N -1.215 118.013 119.070 0.263 0.000 2.750 66 H HA 0.332 4.889 4.556 0.001 0.000 0.263 66 H C 0.080 175.576 175.328 0.281 0.000 0.964 66 H CA 0.206 56.410 56.048 0.260 0.000 1.205 66 H CB 1.178 31.031 29.762 0.151 0.000 1.454 66 H HN 0.130 nan 8.280 nan 0.000 0.503 67 E N 0.311 120.812 120.200 0.501 0.000 2.367 67 E HA 0.351 4.702 4.350 0.001 0.000 0.273 67 E C -1.447 175.391 176.600 0.397 0.000 0.903 67 E CA -0.864 55.720 56.400 0.307 0.000 0.764 67 E CB 2.747 32.506 29.700 0.098 0.000 1.252 67 E HN 0.153 nan 8.360 nan 0.000 0.446 68 Y N -0.627 119.706 120.300 0.055 0.000 2.588 68 Y HA 0.701 5.251 4.550 0.001 0.000 0.343 68 Y C -1.504 174.431 175.900 0.059 0.000 1.065 68 Y CA -1.430 56.601 58.100 -0.114 0.000 1.038 68 Y CB 0.825 38.849 38.460 -0.727 0.000 1.297 68 Y HN 0.291 nan 8.280 nan 0.000 0.467 69 L N 3.242 124.615 121.223 0.249 0.000 2.344 69 L HA 0.679 5.020 4.340 0.001 0.000 0.272 69 L C -1.044 176.079 176.870 0.422 0.000 1.035 69 L CA -1.099 53.878 54.840 0.228 0.000 0.807 69 L CB 1.374 43.507 42.059 0.123 0.000 1.237 69 L HN 0.872 nan 8.230 nan 0.000 0.442 70 Y N -0.385 119.949 120.300 0.057 0.000 2.604 70 Y HA 0.478 5.029 4.550 0.002 0.000 0.331 70 Y C -1.309 174.561 175.900 -0.049 0.000 1.158 70 Y CA -1.666 56.418 58.100 -0.027 0.000 1.056 70 Y CB 0.980 39.391 38.460 -0.081 0.000 1.330 70 Y HN 0.469 nan 8.280 nan 0.000 0.457 71 K N 2.648 123.002 120.400 -0.077 0.000 2.205 71 K HA 0.408 4.728 4.320 0.001 0.000 0.279 71 K C -1.181 175.358 176.600 -0.102 0.000 1.027 71 K CA -0.223 55.995 56.287 -0.117 0.000 0.932 71 K CB 2.543 35.009 32.500 -0.055 0.000 1.032 71 K HN 1.167 nan 8.250 nan 0.000 0.466 72 Q N 1.114 120.846 119.800 -0.113 0.000 2.596 72 Q HA 0.028 4.369 4.340 0.001 0.000 0.190 72 Q C 0.035 176.012 176.000 -0.038 0.000 0.905 72 Q CA 0.167 55.940 55.803 -0.050 0.000 0.846 72 Q CB 0.478 29.180 28.738 -0.060 0.000 1.117 72 Q HN 0.741 nan 8.270 nan 0.000 0.630 73 E N 0.556 120.725 120.200 -0.052 0.000 2.723 73 E HA 0.149 4.500 4.350 0.001 0.000 0.219 73 E C -0.716 175.854 176.600 -0.050 0.000 1.060 73 E CA 0.020 56.395 56.400 -0.041 0.000 1.291 73 E CB -0.170 29.508 29.700 -0.038 0.000 1.265 73 E HN 0.348 nan 8.360 nan 0.000 0.438 74 N N -0.703 117.965 118.700 -0.053 0.000 2.885 74 N HA -0.252 4.489 4.740 0.001 0.000 0.215 74 N C -0.609 174.851 175.510 -0.083 0.000 0.893 74 N CA 1.283 54.299 53.050 -0.056 0.000 1.147 74 N CB -1.401 37.059 38.487 -0.043 0.000 0.967 74 N HN 0.274 nan 8.380 nan 0.000 0.601 75 N N 2.048 120.690 118.700 -0.095 0.000 2.423 75 N HA 0.212 4.953 4.740 0.001 0.000 0.275 75 N C 0.053 175.476 175.510 -0.145 0.000 1.283 75 N CA 0.364 53.341 53.050 -0.121 0.000 0.932 75 N CB 0.299 38.719 38.487 -0.112 0.000 1.185 75 N HN 0.341 nan 8.380 nan 0.000 0.483 76 I N 2.946 123.426 120.570 -0.150 0.000 2.441 76 I HA 0.097 4.268 4.170 0.001 0.000 0.287 76 I C 0.089 176.119 176.117 -0.145 0.000 1.049 76 I CA -0.210 60.996 61.300 -0.156 0.000 1.381 76 I CB 0.515 38.432 38.000 -0.137 0.000 1.409 76 I HN 0.299 nan 8.210 nan 0.000 0.523 77 L N 6.874 127.911 121.223 -0.310 0.000 2.267 77 L HA 0.668 5.009 4.340 0.001 0.000 0.264 77 L C -0.605 176.101 176.870 -0.272 0.000 1.021 77 L CA -0.772 53.874 54.840 -0.323 0.000 0.861 77 L CB 1.738 43.474 42.059 -0.538 0.000 1.443 77 L HN 0.286 nan 8.230 nan 0.000 0.475 78 V N 0.097 119.931 119.914 -0.133 0.000 2.686 78 V HA 0.559 4.679 4.120 0.001 0.000 0.306 78 V C -1.747 174.399 176.094 0.088 0.000 1.065 78 V CA -0.480 61.797 62.300 -0.038 0.000 0.894 78 V CB 1.704 33.460 31.823 -0.112 0.000 1.004 78 V HN 0.500 nan 8.190 nan 0.000 0.424 79 F N 6.143 125.995 119.950 -0.164 0.000 2.480 79 F HA 0.537 5.064 4.527 0.001 0.000 0.329 79 F C 0.013 175.631 175.800 -0.304 0.000 1.091 79 F CA -0.491 57.339 58.000 -0.283 0.000 0.972 79 F CB 1.657 40.259 39.000 -0.663 0.000 1.150 79 F HN 0.651 nan 8.300 nan 0.000 0.467 80 N N 4.258 122.304 118.700 -1.089 0.000 2.426 80 N HA 0.324 5.064 4.740 0.001 0.000 0.257 80 N C 0.462 175.353 175.510 -1.031 0.000 1.002 80 N CA 0.230 52.823 53.050 -0.761 0.000 0.942 80 N CB 1.724 39.942 38.487 -0.448 0.000 1.112 80 N HN 0.891 nan 8.380 nan 0.000 0.499 81 A N 4.159 126.718 122.820 -0.436 0.000 1.972 81 A HA -0.151 4.169 4.320 0.001 0.000 0.219 81 A C 1.742 179.167 177.584 -0.265 0.000 1.169 81 A CA 1.220 53.068 52.037 -0.315 0.000 0.635 81 A CB -0.226 18.311 19.000 -0.772 0.000 0.810 81 A HN 0.842 nan 8.150 nan 0.000 0.446 82 E N -1.173 118.979 120.200 -0.080 0.000 1.984 82 E HA -0.181 4.170 4.350 0.001 0.000 0.203 82 E C 1.764 178.495 176.600 0.217 0.000 0.998 82 E CA 1.782 58.298 56.400 0.193 0.000 0.865 82 E CB -0.307 29.554 29.700 0.269 0.000 0.806 82 E HN 0.765 nan 8.360 nan 0.000 0.504 83 Y N -1.196 119.057 120.300 -0.077 0.000 2.342 83 Y HA 0.096 4.647 4.550 0.002 0.000 0.259 83 Y C 1.574 177.388 175.900 -0.144 0.000 1.049 83 Y CA 0.422 58.482 58.100 -0.067 0.000 1.059 83 Y CB 0.340 38.764 38.460 -0.060 0.000 1.026 83 Y HN 0.358 nan 8.280 nan 0.000 0.473 84 G N -0.193 108.544 108.800 -0.106 0.000 3.034 84 G HA2 -0.186 3.774 3.960 0.001 0.000 0.222 84 G HA3 -0.186 3.774 3.960 0.001 0.000 0.222 84 G C -0.969 173.861 174.900 -0.116 0.000 0.980 84 G CA -0.285 44.578 45.100 -0.394 0.000 1.008 84 G HN 0.369 nan 8.290 nan 0.000 0.632 85 N N 1.262 119.909 118.700 -0.089 0.000 3.117 85 N HA 0.101 4.842 4.740 0.001 0.000 0.323 85 N C 0.759 176.252 175.510 -0.028 0.000 1.245 85 N CA 0.455 53.491 53.050 -0.023 0.000 1.191 85 N CB -0.203 38.268 38.487 -0.026 0.000 1.451 85 N HN 0.465 nan 8.380 nan 0.000 0.555 86 S N -0.769 114.954 115.700 0.038 0.000 3.716 86 S HA 0.087 4.557 4.470 0.001 0.000 0.254 86 S C 0.383 175.028 174.600 0.075 0.000 1.209 86 S CA -0.864 57.400 58.200 0.107 0.000 1.026 86 S CB -1.099 62.346 63.200 0.407 0.000 1.625 86 S HN 0.475 nan 8.310 nan 0.000 0.500 87 S N 1.778 117.491 115.700 0.022 0.000 2.603 87 S HA 0.465 4.936 4.470 0.001 0.000 0.268 87 S C 0.362 174.966 174.600 0.008 0.000 1.317 87 S CA -0.998 57.209 58.200 0.011 0.000 1.012 87 S CB 0.636 63.837 63.200 0.001 0.000 0.926 87 S HN 0.420 nan 8.310 nan 0.000 0.539 88 V N 2.358 122.267 119.914 -0.009 0.000 2.740 88 V HA 0.089 4.210 4.120 0.001 0.000 0.303 88 V C 0.591 176.709 176.094 0.040 0.000 1.054 88 V CA 0.270 62.557 62.300 -0.022 0.000 1.106 88 V CB 0.258 32.045 31.823 -0.059 0.000 0.957 88 V HN 0.982 nan 8.190 nan 0.000 0.486 89 F N 4.010 123.885 119.950 -0.124 0.000 2.490 89 F HA 0.454 4.982 4.527 0.001 0.000 0.280 89 F C 0.565 176.295 175.800 -0.116 0.000 1.030 89 F CA 0.219 58.156 58.000 -0.105 0.000 1.367 89 F CB 0.654 39.596 39.000 -0.097 0.000 1.131 89 F HN 0.363 nan 8.300 nan 0.000 0.632 90 L N 2.467 123.533 121.223 -0.261 0.000 2.529 90 L HA 0.261 4.601 4.340 0.001 0.000 0.258 90 L C -0.700 176.005 176.870 -0.275 0.000 1.032 90 L CA -0.476 54.125 54.840 -0.398 0.000 0.899 90 L CB 0.786 42.612 42.059 -0.389 0.000 1.174 90 L HN 0.234 nan 8.230 nan 0.000 0.458 91 E N 1.043 121.083 120.200 -0.266 0.000 2.413 91 E HA -0.009 4.342 4.350 0.001 0.000 0.263 91 E C 0.021 176.469 176.600 -0.255 0.000 1.015 91 E CA -0.268 56.001 56.400 -0.218 0.000 0.916 91 E CB 0.673 30.261 29.700 -0.186 0.000 0.947 91 E HN 0.457 nan 8.360 nan 0.000 0.440 92 N N 1.645 120.230 118.700 -0.191 0.000 2.494 92 N HA -0.101 4.639 4.740 0.001 0.000 0.182 92 N C 0.312 175.719 175.510 -0.173 0.000 1.076 92 N CA 0.509 53.456 53.050 -0.173 0.000 0.908 92 N CB 0.040 38.462 38.487 -0.108 0.000 0.967 92 N HN 0.558 nan 8.380 nan 0.000 0.449 93 S N -0.629 114.967 115.700 -0.173 0.000 3.544 93 S HA 0.148 4.618 4.470 0.001 0.000 0.227 93 S C 0.693 175.151 174.600 -0.236 0.000 1.387 93 S CA -0.242 57.862 58.200 -0.160 0.000 1.182 93 S CB 0.154 63.279 63.200 -0.124 0.000 1.243 93 S HN 0.091 nan 8.310 nan 0.000 0.467 94 T N -0.196 114.150 114.554 -0.345 0.000 3.408 94 T HA 0.277 4.628 4.350 0.001 0.000 0.273 94 T C -0.350 174.011 174.700 -0.565 0.000 0.983 94 T CA -0.111 61.627 62.100 -0.603 0.000 1.087 94 T CB -0.013 68.216 68.868 -1.066 0.000 1.170 94 T HN 0.459 nan 8.240 nan 0.000 0.456 95 F N 3.246 123.085 119.950 -0.185 0.000 2.532 95 F HA 0.400 4.928 4.527 0.001 0.000 0.313 95 F C 0.406 176.175 175.800 -0.052 0.000 1.301 95 F CA -1.870 56.038 58.000 -0.153 0.000 1.154 95 F CB -0.006 38.778 39.000 -0.361 0.000 1.335 95 F HN 0.260 nan 8.300 nan 0.000 0.542 96 D N -1.430 119.038 120.400 0.112 0.000 2.716 96 D HA 0.018 4.659 4.640 0.001 0.000 0.273 96 D C 0.584 176.927 176.300 0.071 0.000 1.024 96 D CA 0.324 54.367 54.000 0.073 0.000 0.944 96 D CB -0.149 40.656 40.800 0.009 0.000 1.186 96 D HN 0.246 nan 8.370 nan 0.000 0.485 97 E N -0.512 119.722 120.200 0.056 0.000 2.598 97 E HA 0.163 4.514 4.350 0.001 0.000 0.233 97 E C -0.257 176.375 176.600 0.053 0.000 1.173 97 E CA -0.390 56.018 56.400 0.015 0.000 1.473 97 E CB 0.042 29.732 29.700 -0.017 0.000 1.398 97 E HN 0.385 nan 8.360 nan 0.000 0.431 98 F N -0.281 119.650 119.950 -0.032 0.000 2.569 98 F HA 0.234 4.762 4.527 0.001 0.000 0.295 98 F C 1.357 177.046 175.800 -0.185 0.000 1.115 98 F CA 1.324 59.313 58.000 -0.018 0.000 1.450 98 F CB 0.537 39.604 39.000 0.113 0.000 1.107 98 F HN 0.189 nan 8.300 nan 0.000 0.563 99 G N -0.572 107.830 108.800 -0.663 0.000 2.617 99 G HA2 -0.091 3.869 3.960 0.001 0.000 0.197 99 G HA3 -0.091 3.869 3.960 0.001 0.000 0.197 99 G C -0.098 174.138 174.900 -1.108 0.000 1.017 99 G CA -0.005 44.483 45.100 -1.019 0.000 0.713 99 G HN 0.549 nan 8.290 nan 0.000 0.481 100 H N 0.341 119.118 119.070 -0.488 0.000 2.928 100 H HA 0.619 5.175 4.556 0.001 0.000 0.371 100 H C -0.695 174.680 175.328 0.077 0.000 1.186 100 H CA -0.104 55.817 56.048 -0.212 0.000 1.134 100 H CB 1.432 30.902 29.762 -0.486 0.000 1.824 100 H HN 0.157 nan 8.280 nan 0.000 0.554 101 S N 2.012 117.835 115.700 0.204 0.000 2.488 101 S HA 0.195 4.666 4.470 0.001 0.000 0.278 101 S C 0.971 175.671 174.600 0.167 0.000 1.259 101 S CA -0.587 57.709 58.200 0.160 0.000 1.061 101 S CB -0.329 62.945 63.200 0.123 0.000 0.910 101 S HN 0.269 nan 8.310 nan 0.000 0.491 102 I N 2.970 123.599 120.570 0.097 0.000 2.696 102 I HA 0.159 4.330 4.170 0.001 0.000 0.284 102 I C 1.307 177.455 176.117 0.052 0.000 1.129 102 I CA -0.155 61.169 61.300 0.040 0.000 1.410 102 I CB 0.401 38.388 38.000 -0.021 0.000 1.399 102 I HN 0.661 nan 8.210 nan 0.000 0.579 103 N N 1.864 120.590 118.700 0.044 0.000 2.663 103 N HA 0.077 4.818 4.740 0.001 0.000 0.250 103 N C -0.380 175.118 175.510 -0.020 0.000 1.043 103 N CA 0.206 53.250 53.050 -0.011 0.000 0.929 103 N CB 0.761 39.229 38.487 -0.032 0.000 1.665 103 N HN 0.702 nan 8.380 nan 0.000 0.484 104 D N -1.869 118.544 120.400 0.023 0.000 2.610 104 D HA 0.293 4.933 4.640 0.001 0.000 0.271 104 D C -1.477 174.917 176.300 0.156 0.000 1.174 104 D CA -0.409 53.619 54.000 0.046 0.000 0.949 104 D CB 1.469 42.259 40.800 -0.017 0.000 1.430 104 D HN 0.163 nan 8.370 nan 0.000 0.467 105 Y N -1.666 118.679 120.300 0.075 0.000 2.677 105 Y HA 0.737 5.287 4.550 0.001 0.000 0.334 105 Y C -1.264 174.749 175.900 0.189 0.000 1.154 105 Y CA -1.016 57.151 58.100 0.112 0.000 1.070 105 Y CB 1.511 40.023 38.460 0.087 0.000 1.294 105 Y HN 0.148 nan 8.280 nan 0.000 0.475 106 S N 1.527 117.449 115.700 0.370 0.000 2.706 106 S HA 0.535 5.006 4.470 0.001 0.000 0.270 106 S C -1.713 173.237 174.600 0.584 0.000 1.163 106 S CA -0.409 58.021 58.200 0.385 0.000 1.042 106 S CB 0.260 63.720 63.200 0.434 0.000 1.079 106 S HN 0.627 nan 8.310 nan 0.000 0.474 107 I N 4.581 125.387 120.570 0.394 0.000 2.529 107 I HA 0.230 4.400 4.170 0.001 0.000 0.284 107 I C 0.917 176.860 176.117 -0.290 0.000 1.082 107 I CA 0.513 61.917 61.300 0.173 0.000 1.406 107 I CB 1.483 39.579 38.000 0.159 0.000 1.405 107 I HN 0.726 nan 8.210 nan 0.000 0.548 108 S N 6.626 121.854 115.700 -0.786 0.000 2.562 108 S HA 0.216 4.687 4.470 0.001 0.000 0.281 108 S C -1.823 172.458 174.600 -0.532 0.000 1.333 108 S CA -0.900 56.468 58.200 -1.386 0.000 1.052 108 S CB 0.525 62.862 63.200 -1.439 0.000 0.884 108 S HN 0.441 nan 8.310 nan 0.000 0.506 109 P HA -0.217 nan 4.420 nan 0.000 0.216 109 P C 1.163 178.392 177.300 -0.118 0.000 1.157 109 P CA 1.778 64.783 63.100 -0.158 0.000 0.880 109 P CB -0.116 31.517 31.700 -0.112 0.000 0.791 110 D N -1.757 118.569 120.400 -0.124 0.000 2.350 110 D HA -0.033 4.608 4.640 0.001 0.000 0.216 110 D C 1.395 177.653 176.300 -0.070 0.000 0.968 110 D CA 1.279 55.238 54.000 -0.069 0.000 0.894 110 D CB -1.031 39.751 40.800 -0.030 0.000 0.909 110 D HN 0.305 nan 8.370 nan 0.000 0.520 111 G N 0.227 108.961 108.800 -0.111 0.000 2.141 111 G HA2 -0.315 3.646 3.960 0.001 0.000 0.231 111 G HA3 -0.315 3.646 3.960 0.001 0.000 0.231 111 G C 0.850 175.706 174.900 -0.073 0.000 0.984 111 G CA 0.389 45.443 45.100 -0.076 0.000 0.660 111 G HN 0.458 nan 8.290 nan 0.000 0.525 112 Q N -1.431 118.255 119.800 -0.190 0.000 2.373 112 Q HA 0.377 4.717 4.340 0.001 0.000 0.210 112 Q C -0.121 175.443 176.000 -0.727 0.000 0.913 112 Q CA 0.648 56.157 55.803 -0.491 0.000 0.911 112 Q CB 0.580 28.894 28.738 -0.706 0.000 1.040 112 Q HN 0.541 nan 8.270 nan 0.000 0.521 113 F N 0.378 120.309 119.950 -0.032 0.000 2.579 113 F HA 0.387 4.914 4.527 0.001 0.000 0.325 113 F C -0.494 175.424 175.800 0.197 0.000 1.162 113 F CA -1.014 57.042 58.000 0.093 0.000 0.946 113 F CB 1.366 40.475 39.000 0.181 0.000 1.211 113 F HN -0.117 nan 8.300 nan 0.000 0.447 114 I N 4.847 125.707 120.570 0.483 0.000 2.371 114 I HA 0.362 4.533 4.170 0.001 0.000 0.290 114 I C -1.062 175.376 176.117 0.535 0.000 1.028 114 I CA -0.797 60.803 61.300 0.499 0.000 1.345 114 I CB 0.863 39.110 38.000 0.411 0.000 1.407 114 I HN 0.576 nan 8.210 nan 0.000 0.501 115 L N 8.974 130.553 121.223 0.593 0.000 2.264 115 L HA 0.456 4.796 4.340 0.001 0.000 0.287 115 L C -0.917 176.129 176.870 0.293 0.000 1.039 115 L CA -0.083 55.008 54.840 0.418 0.000 0.829 115 L CB 0.648 42.910 42.059 0.339 0.000 1.211 115 L HN 0.539 nan 8.230 nan 0.000 0.427 116 L N 4.024 125.338 121.223 0.151 0.000 2.439 116 L HA 0.506 4.847 4.340 0.001 0.000 0.261 116 L C 0.125 177.050 176.870 0.091 0.000 1.153 116 L CA -0.302 54.552 54.840 0.024 0.000 0.808 116 L CB 0.953 42.830 42.059 -0.304 0.000 1.126 116 L HN 0.629 nan 8.230 nan 0.000 0.460 117 E N 1.198 121.414 120.200 0.027 0.000 2.274 117 E HA 0.397 4.747 4.350 0.001 0.000 0.269 117 E C -1.855 174.742 176.600 -0.005 0.000 0.891 117 E CA -0.545 55.730 56.400 -0.208 0.000 0.784 117 E CB 1.514 31.108 29.700 -0.176 0.000 1.225 117 E HN 0.447 nan 8.360 nan 0.000 0.412 118 Y N 1.578 121.736 120.300 -0.237 0.000 2.715 118 Y HA 0.529 5.080 4.550 0.001 0.000 0.331 118 Y C 0.060 175.914 175.900 -0.078 0.000 1.197 118 Y CA -1.438 56.616 58.100 -0.077 0.000 1.079 118 Y CB 0.425 38.902 38.460 0.027 0.000 1.298 118 Y HN 0.474 nan 8.280 nan 0.000 0.477 119 N N -0.761 117.985 118.700 0.077 0.000 2.735 119 N HA -0.299 4.442 4.740 0.001 0.000 0.248 119 N C -0.950 174.573 175.510 0.022 0.000 1.083 119 N CA 0.968 54.018 53.050 -0.000 0.000 0.703 119 N CB -1.755 36.642 38.487 -0.150 0.000 1.005 119 N HN 0.855 nan 8.380 nan 0.000 0.550 120 Y N 0.464 120.747 120.300 -0.028 0.000 2.721 120 Y HA 0.206 4.757 4.550 0.001 0.000 0.329 120 Y C 0.126 176.041 175.900 0.024 0.000 1.211 120 Y CA 0.231 58.332 58.100 0.003 0.000 1.512 120 Y CB 0.634 39.066 38.460 -0.048 0.000 1.249 120 Y HN 0.004 nan 8.280 nan 0.000 0.549 121 V N 8.106 127.755 119.914 -0.442 0.000 2.445 121 V HA 0.172 4.292 4.120 0.001 0.000 0.283 121 V C -0.264 175.525 176.094 -0.508 0.000 1.014 121 V CA -1.416 60.667 62.300 -0.361 0.000 0.852 121 V CB 1.145 32.867 31.823 -0.168 0.000 1.021 121 V HN 0.742 nan 8.190 nan 0.000 0.435 122 K N 3.304 123.358 120.400 -0.577 0.000 2.436 122 K HA 0.176 4.497 4.320 0.001 0.000 0.275 122 K C 0.492 176.919 176.600 -0.287 0.000 0.999 122 K CA 0.333 56.392 56.287 -0.379 0.000 0.980 122 K CB 1.154 33.596 32.500 -0.097 0.000 0.919 122 K HN 0.790 nan 8.250 nan 0.000 0.484 123 Q N 2.706 122.307 119.800 -0.332 0.000 2.679 123 Q HA 0.165 4.506 4.340 0.001 0.000 0.255 123 Q C -0.054 175.635 176.000 -0.519 0.000 1.053 123 Q CA -0.262 55.138 55.803 -0.672 0.000 0.620 123 Q CB 0.090 28.282 28.738 -0.909 0.000 3.775 123 Q HN 0.705 nan 8.270 nan 0.000 0.446 124 W N -0.008 121.296 121.300 0.007 0.000 2.090 124 W HA 0.387 5.047 4.660 0.001 0.000 0.609 124 W C 1.737 178.254 176.519 -0.004 0.000 1.671 124 W CA -0.752 56.624 57.345 0.052 0.000 1.756 124 W CB -0.150 29.315 29.460 0.009 0.000 2.998 124 W HN 0.265 nan 8.180 nan 0.000 0.761 125 R N -0.535 120.078 120.500 0.189 0.000 2.081 125 R HA -0.158 4.183 4.340 0.001 0.000 0.235 125 R C 1.757 177.942 176.300 -0.192 0.000 1.131 125 R CA 1.840 57.890 56.100 -0.084 0.000 0.960 125 R CB -0.428 29.685 30.300 -0.311 0.000 0.856 125 R HN 0.516 nan 8.270 nan 0.000 0.436 126 H N -0.992 118.166 119.070 0.146 0.000 2.545 126 H HA 0.144 4.701 4.556 0.001 0.000 0.283 126 H C 0.688 176.154 175.328 0.230 0.000 0.997 126 H CA 0.546 56.706 56.048 0.186 0.000 1.269 126 H CB 0.050 29.898 29.762 0.144 0.000 1.451 126 H HN 0.149 nan 8.280 nan 0.000 0.508 127 S N 1.466 117.230 115.700 0.107 0.000 2.572 127 S HA 0.320 4.791 4.470 0.001 0.000 0.279 127 S C -0.234 174.321 174.600 -0.076 0.000 1.341 127 S CA -0.482 57.521 58.200 -0.329 0.000 1.043 127 S CB 0.340 62.813 63.200 -1.212 0.000 0.887 127 S HN 0.463 nan 8.310 nan 0.000 0.516 128 Y N -2.042 118.157 120.300 -0.169 0.000 2.713 128 Y HA 0.757 5.308 4.550 0.001 0.000 0.335 128 Y C -0.557 175.329 175.900 -0.023 0.000 1.222 128 Y CA -1.118 56.868 58.100 -0.190 0.000 1.061 128 Y CB 1.059 39.395 38.460 -0.207 0.000 1.314 128 Y HN 0.704 nan 8.280 nan 0.000 0.453 129 T N 0.801 115.350 114.554 -0.009 0.000 2.924 129 T HA 0.926 5.277 4.350 0.001 0.000 0.291 129 T C -1.127 173.633 174.700 0.100 0.000 1.045 129 T CA 0.076 62.193 62.100 0.029 0.000 1.015 129 T CB 1.254 70.117 68.868 -0.008 0.000 1.103 129 T HN 1.638 nan 8.240 nan 0.000 0.496 130 A N 1.599 124.483 122.820 0.106 0.000 2.567 130 A HA 0.671 4.992 4.320 0.001 0.000 0.291 130 A C -0.820 176.654 177.584 -0.183 0.000 1.048 130 A CA -0.711 51.305 52.037 -0.036 0.000 0.661 130 A CB 1.101 20.096 19.000 -0.008 0.000 1.288 130 A HN 0.724 nan 8.150 nan 0.000 0.424 131 S N -0.471 114.909 115.700 -0.535 0.000 2.617 131 S HA 0.795 5.266 4.470 0.001 0.000 0.283 131 S C -1.507 172.501 174.600 -0.985 0.000 1.189 131 S CA -0.001 57.775 58.200 -0.707 0.000 1.036 131 S CB 0.516 63.085 63.200 -1.051 0.000 1.014 131 S HN 0.447 nan 8.310 nan 0.000 0.522 132 Y N 0.629 120.677 120.300 -0.420 0.000 2.433 132 Y HA 0.448 4.998 4.550 0.001 0.000 0.337 132 Y C -0.608 175.269 175.900 -0.038 0.000 1.026 132 Y CA -0.915 57.077 58.100 -0.181 0.000 1.037 132 Y CB 1.906 40.231 38.460 -0.225 0.000 1.245 132 Y HN 0.541 nan 8.280 nan 0.000 0.443 133 D N 2.257 122.809 120.400 0.253 0.000 2.601 133 D HA 0.621 5.262 4.640 0.001 0.000 0.230 133 D C -0.965 175.431 176.300 0.161 0.000 1.106 133 D CA -0.380 53.746 54.000 0.209 0.000 0.873 133 D CB 2.160 43.156 40.800 0.327 0.000 1.515 133 D HN 0.311 nan 8.370 nan 0.000 0.468 134 I N 1.263 121.923 120.570 0.151 0.000 2.525 134 I HA 0.414 4.584 4.170 0.001 0.000 0.301 134 I C -1.173 175.131 176.117 0.311 0.000 0.992 134 I CA -1.025 60.406 61.300 0.218 0.000 1.162 134 I CB 1.508 39.593 38.000 0.142 0.000 1.332 134 I HN 0.346 nan 8.210 nan 0.000 0.458 135 Y N 4.248 124.698 120.300 0.249 0.000 2.329 135 Y HA 0.277 4.828 4.550 0.001 0.000 0.328 135 Y C -0.621 175.449 175.900 0.283 0.000 0.992 135 Y CA -0.884 57.364 58.100 0.247 0.000 1.151 135 Y CB 1.090 39.702 38.460 0.252 0.000 1.150 135 Y HN 0.498 nan 8.280 nan 0.000 0.450 136 D N 5.913 126.232 120.400 -0.136 0.000 2.348 136 D HA 0.107 4.748 4.640 0.001 0.000 0.253 136 D C 0.645 176.664 176.300 -0.468 0.000 1.161 136 D CA 0.291 54.179 54.000 -0.188 0.000 0.876 136 D CB 1.262 42.019 40.800 -0.072 0.000 1.160 136 D HN 0.855 nan 8.370 nan 0.000 0.459 137 L N 3.406 124.445 121.223 -0.306 0.000 2.162 137 L HA -0.021 4.320 4.340 0.001 0.000 0.205 137 L C 1.948 178.696 176.870 -0.204 0.000 1.086 137 L CA 0.266 54.986 54.840 -0.200 0.000 0.778 137 L CB -0.334 41.664 42.059 -0.101 0.000 0.928 137 L HN 0.392 nan 8.230 nan 0.000 0.446 138 N N 0.636 119.197 118.700 -0.233 0.000 2.250 138 N HA -0.152 4.588 4.740 0.001 0.000 0.181 138 N C 1.727 177.153 175.510 -0.139 0.000 1.017 138 N CA 0.873 53.822 53.050 -0.168 0.000 0.866 138 N CB 0.073 38.456 38.487 -0.173 0.000 0.985 138 N HN 0.327 nan 8.380 nan 0.000 0.429 139 K N 1.196 121.501 120.400 -0.159 0.000 2.365 139 K HA 0.071 4.392 4.320 0.001 0.000 0.197 139 K C 0.201 176.707 176.600 -0.156 0.000 1.042 139 K CA 0.203 56.416 56.287 -0.124 0.000 0.987 139 K CB 0.344 32.789 32.500 -0.092 0.000 0.779 139 K HN 0.000 nan 8.250 nan 0.000 0.484 140 R N -0.687 119.673 120.500 -0.233 0.000 3.922 140 R HA -0.174 4.167 4.340 0.001 0.000 0.447 140 R C -0.320 175.767 176.300 -0.355 0.000 1.035 140 R CA 1.181 57.140 56.100 -0.236 0.000 1.289 140 R CB -1.437 28.801 30.300 -0.104 0.000 1.906 140 R HN 0.376 nan 8.270 nan 0.000 0.540 141 Q N 0.090 119.610 119.800 -0.467 0.000 2.668 141 Q HA 0.672 5.012 4.340 0.001 0.000 0.298 141 Q C -0.607 175.180 176.000 -0.355 0.000 1.071 141 Q CA -1.020 54.602 55.803 -0.303 0.000 0.789 141 Q CB 1.912 30.610 28.738 -0.067 0.000 1.497 141 Q HN 0.214 nan 8.270 nan 0.000 0.460 142 L N -1.293 119.966 121.223 0.061 0.000 2.334 142 L HA 0.625 4.966 4.340 0.001 0.000 0.275 142 L C -0.692 176.252 176.870 0.124 0.000 1.036 142 L CA -1.069 53.893 54.840 0.203 0.000 0.807 142 L CB 0.551 42.866 42.059 0.426 0.000 1.231 142 L HN 0.393 nan 8.230 nan 0.000 0.438 143 I N 2.299 122.939 120.570 0.117 0.000 2.575 143 I HA 0.190 4.361 4.170 0.001 0.000 0.285 143 I C 1.442 177.593 176.117 0.057 0.000 1.085 143 I CA 0.590 61.928 61.300 0.064 0.000 1.403 143 I CB 1.669 39.690 38.000 0.033 0.000 1.409 143 I HN 0.937 nan 8.210 nan 0.000 0.557 144 T N 0.342 114.913 114.554 0.028 0.000 2.954 144 T HA 0.277 4.627 4.350 0.001 0.000 0.252 144 T C 0.259 174.951 174.700 -0.013 0.000 0.983 144 T CA -0.314 61.797 62.100 0.018 0.000 0.941 144 T CB -0.095 68.787 68.868 0.023 0.000 1.141 144 T HN 0.469 nan 8.240 nan 0.000 0.500 145 E N 1.182 121.367 120.200 -0.025 0.000 2.222 145 E HA 0.599 4.950 4.350 0.001 0.000 0.272 145 E C 0.340 176.898 176.600 -0.070 0.000 0.982 145 E CA -0.207 56.166 56.400 -0.045 0.000 0.842 145 E CB 0.124 29.801 29.700 -0.038 0.000 1.144 145 E HN 0.296 nan 8.360 nan 0.000 0.397 146 E N 0.351 120.496 120.200 -0.092 0.000 2.389 146 E HA -0.288 4.062 4.350 0.001 0.000 0.243 146 E C -0.232 176.275 176.600 -0.155 0.000 1.154 146 E CA 1.361 57.687 56.400 -0.123 0.000 0.723 146 E CB -2.366 nan 29.700 nan 0.000 1.261 146 E HN 0.483 nan 8.360 nan 0.000 0.390 147 R N -1.189 119.217 120.500 -0.156 0.000 2.679 147 R HA 0.613 4.953 4.340 0.001 0.000 0.269 147 R C 0.919 177.042 176.300 -0.295 0.000 1.076 147 R CA -0.102 55.892 56.100 -0.175 0.000 1.160 147 R CB 0.558 30.787 30.300 -0.118 0.000 1.054 147 R HN 0.557 nan 8.270 nan 0.000 0.507 148 I N 4.580 124.946 120.570 -0.340 0.000 2.471 148 I HA 0.120 4.291 4.170 0.001 0.000 0.286 148 I C -1.601 174.234 176.117 -0.470 0.000 1.079 148 I CA -1.916 59.047 61.300 -0.562 0.000 1.398 148 I CB 0.712 38.369 38.000 -0.571 0.000 1.403 148 I HN 0.334 nan 8.210 nan 0.000 0.530 149 P HA -0.007 nan 4.420 nan 0.000 0.268 149 P C -0.652 176.492 177.300 -0.259 0.000 1.208 149 P CA -0.149 62.634 63.100 -0.528 0.000 0.777 149 P CB 0.349 31.419 31.700 -1.050 0.000 0.875 150 N N 1.834 120.443 118.700 -0.152 0.000 2.344 150 N HA -0.088 4.653 4.740 0.001 0.000 0.236 150 N C 0.495 176.070 175.510 0.109 0.000 1.279 150 N CA 0.525 53.543 53.050 -0.053 0.000 0.882 150 N CB -0.503 37.962 38.487 -0.036 0.000 1.110 150 N HN 0.445 nan 8.380 nan 0.000 0.436 151 N N -1.902 116.852 118.700 0.089 0.000 2.776 151 N HA -0.162 4.579 4.740 0.001 0.000 0.250 151 N C -1.006 174.653 175.510 0.248 0.000 1.112 151 N CA 0.593 53.730 53.050 0.144 0.000 0.733 151 N CB -1.415 37.160 38.487 0.146 0.000 1.097 151 N HN 0.472 nan 8.380 nan 0.000 0.558 152 T N 0.368 115.070 114.554 0.247 0.000 2.870 152 T HA 0.068 4.418 4.350 0.001 0.000 0.300 152 T C 1.412 176.224 174.700 0.187 0.000 0.989 152 T CA 0.006 62.255 62.100 0.249 0.000 1.139 152 T CB 1.322 70.227 68.868 0.062 0.000 0.920 152 T HN 0.183 nan 8.240 nan 0.000 0.537 153 Q N 1.594 121.494 119.800 0.166 0.000 2.302 153 Q HA 0.149 4.490 4.340 0.001 0.000 0.202 153 Q C 0.134 176.227 176.000 0.155 0.000 0.936 153 Q CA 0.462 56.363 55.803 0.163 0.000 0.886 153 Q CB 0.673 29.464 28.738 0.088 0.000 0.986 153 Q HN 0.733 nan 8.270 nan 0.000 0.487 154 W N -0.351 120.860 121.300 -0.149 0.000 3.464 154 W HA 0.428 5.089 4.660 0.001 0.000 0.292 154 W C -2.351 174.039 176.519 -0.215 0.000 1.262 154 W CA -0.648 56.575 57.345 -0.203 0.000 1.202 154 W CB 0.992 30.304 29.460 -0.247 0.000 1.334 154 W HN -0.374 nan 8.180 nan 0.000 0.561 155 V N 3.065 122.237 119.914 -1.236 0.000 2.789 155 V HA 0.731 4.852 4.120 0.001 0.000 0.311 155 V C -0.390 175.005 176.094 -1.165 0.000 1.073 155 V CA -0.655 61.032 62.300 -1.021 0.000 0.921 155 V CB 1.620 32.784 31.823 -1.098 0.000 1.009 155 V HN 0.501 nan 8.190 nan 0.000 0.426 156 T N 2.635 116.874 114.554 -0.525 0.000 3.041 156 T HA 0.519 4.870 4.350 0.001 0.000 0.321 156 T C -1.433 173.271 174.700 0.007 0.000 1.184 156 T CA -0.352 61.649 62.100 -0.165 0.000 1.050 156 T CB 0.809 69.861 68.868 0.306 0.000 1.159 156 T HN 0.517 nan 8.240 nan 0.000 0.469 157 W N 3.239 124.567 121.300 0.047 0.000 2.126 157 W HA 0.443 5.104 4.660 0.001 0.000 0.346 157 W C 1.297 177.581 176.519 -0.391 0.000 1.279 157 W CA -0.486 56.814 57.345 -0.075 0.000 1.259 157 W CB 0.487 29.913 29.460 -0.056 0.000 1.133 157 W HN 0.814 nan 8.180 nan 0.000 0.592 158 S N 1.325 116.644 115.700 -0.636 0.000 2.576 158 S HA 0.055 4.526 4.470 0.001 0.000 0.272 158 S C -1.795 172.512 174.600 -0.487 0.000 1.352 158 S CA -0.847 56.536 58.200 -1.363 0.000 1.021 158 S CB 0.704 63.186 63.200 -1.197 0.000 0.887 158 S HN 0.290 nan 8.310 nan 0.000 0.542 159 P HA 0.055 nan 4.420 nan 0.000 0.221 159 P C 0.418 177.666 177.300 -0.086 0.000 1.150 159 P CA 0.763 63.807 63.100 -0.093 0.000 0.800 159 P CB -0.139 31.553 31.700 -0.012 0.000 0.787 160 V N -6.226 113.602 119.914 -0.143 0.000 3.102 160 V HA 0.891 5.012 4.120 0.001 0.000 0.312 160 V C 0.335 176.326 176.094 -0.172 0.000 1.135 160 V CA -0.218 62.011 62.300 -0.119 0.000 1.022 160 V CB 1.103 32.877 31.823 -0.081 0.000 1.056 160 V HN 0.432 nan 8.190 nan 0.000 0.436 161 G N 2.343 111.049 108.800 -0.157 0.000 2.512 161 G HA2 -0.194 3.767 3.960 0.001 0.000 0.254 161 G HA3 -0.194 3.767 3.960 0.001 0.000 0.254 161 G C 0.308 175.118 174.900 -0.149 0.000 1.199 161 G CA 0.907 45.868 45.100 -0.231 0.000 0.941 161 G HN 2.523 nan 8.290 nan 0.000 0.569 162 H N -0.719 118.373 119.070 0.037 0.000 3.297 162 H HA 0.357 4.914 4.556 0.001 0.000 0.254 162 H C 0.570 176.081 175.328 0.304 0.000 1.192 162 H CA -0.033 56.121 56.048 0.176 0.000 1.058 162 H CB 0.189 30.115 29.762 0.274 0.000 1.777 162 H HN 0.497 nan 8.280 nan 0.000 0.696 163 K N 1.709 122.229 120.400 0.201 0.000 2.518 163 K HA 0.115 4.436 4.320 0.001 0.000 0.276 163 K C -0.418 176.292 176.600 0.183 0.000 0.974 163 K CA -0.021 56.361 56.287 0.158 0.000 0.986 163 K CB 1.033 33.497 32.500 -0.061 0.000 0.901 163 K HN 0.076 nan 8.250 nan 0.000 0.497 164 L N 1.419 122.763 121.223 0.201 0.000 2.342 164 L HA 0.587 4.928 4.340 0.001 0.000 0.271 164 L C -0.484 176.591 176.870 0.341 0.000 1.008 164 L CA -0.465 54.448 54.840 0.121 0.000 0.818 164 L CB 1.654 43.657 42.059 -0.094 0.000 1.296 164 L HN 0.801 nan 8.230 nan 0.000 0.427 165 A N 3.609 126.626 122.820 0.328 0.000 2.374 165 A HA 0.754 5.075 4.320 0.001 0.000 0.305 165 A C -1.642 175.974 177.584 0.054 0.000 1.053 165 A CA -0.401 51.723 52.037 0.146 0.000 0.726 165 A CB 1.401 20.422 19.000 0.035 0.000 1.229 165 A HN 0.638 nan 8.150 nan 0.000 0.431 166 Y N -0.132 120.118 120.300 -0.084 0.000 2.504 166 Y HA 0.719 5.270 4.550 0.001 0.000 0.344 166 Y C -1.186 174.714 175.900 -0.000 0.000 1.023 166 Y CA -1.502 56.521 58.100 -0.129 0.000 1.020 166 Y CB 1.096 39.407 38.460 -0.248 0.000 1.282 166 Y HN 0.370 nan 8.280 nan 0.000 0.454 167 V N 3.348 123.335 119.914 0.122 0.000 2.407 167 V HA 0.289 4.410 4.120 0.001 0.000 0.278 167 V C -1.159 175.111 176.094 0.294 0.000 1.037 167 V CA -0.446 61.912 62.300 0.097 0.000 0.900 167 V CB 0.972 32.777 31.823 -0.029 0.000 0.983 167 V HN 0.887 nan 8.190 nan 0.000 0.459 168 W N 5.225 126.609 121.300 0.140 0.000 2.900 168 W HA 0.458 5.118 4.660 0.001 0.000 0.336 168 W C 0.256 176.833 176.519 0.097 0.000 1.064 168 W CA -0.792 56.621 57.345 0.114 0.000 1.237 168 W CB 1.127 30.631 29.460 0.073 0.000 1.391 168 W HN 0.775 nan 8.180 nan 0.000 0.468 169 N N 5.107 123.358 118.700 -0.748 0.000 2.740 169 N HA -0.330 4.411 4.740 0.001 0.000 0.248 169 N C 0.101 175.399 175.510 -0.354 0.000 1.062 169 N CA 1.034 53.623 53.050 -0.769 0.000 0.704 169 N CB -0.846 36.842 38.487 -1.332 0.000 0.968 169 N HN 0.752 nan 8.380 nan 0.000 0.547 170 N N -1.392 117.183 118.700 -0.208 0.000 2.900 170 N HA -0.168 4.573 4.740 0.001 0.000 0.240 170 N C -1.252 174.171 175.510 -0.145 0.000 0.953 170 N CA 1.811 54.774 53.050 -0.146 0.000 0.950 170 N CB -0.493 37.875 38.487 -0.199 0.000 1.102 170 N HN 0.561 nan 8.380 nan 0.000 0.593 171 D N -0.117 120.201 120.400 -0.136 0.000 2.299 171 D HA 0.455 5.095 4.640 0.001 0.000 0.243 171 D C 0.327 176.441 176.300 -0.309 0.000 0.982 171 D CA -0.476 53.369 54.000 -0.259 0.000 0.924 171 D CB 1.452 42.052 40.800 -0.334 0.000 1.238 171 D HN -0.017 nan 8.370 nan 0.000 0.484 172 I N 1.792 122.019 120.570 -0.572 0.000 2.353 172 I HA 0.207 4.378 4.170 0.001 0.000 0.293 172 I C -0.723 174.910 176.117 -0.805 0.000 0.992 172 I CA -0.396 60.544 61.300 -0.599 0.000 1.268 172 I CB 0.568 38.122 38.000 -0.744 0.000 1.387 172 I HN 0.188 nan 8.210 nan 0.000 0.478 173 Y N 4.448 124.340 120.300 -0.679 0.000 2.524 173 Y HA 0.663 5.214 4.550 0.001 0.000 0.344 173 Y C -0.290 175.254 175.900 -0.593 0.000 1.012 173 Y CA -0.876 56.768 58.100 -0.759 0.000 1.068 173 Y CB 2.183 39.843 38.460 -1.333 0.000 1.249 173 Y HN 0.119 nan 8.280 nan 0.000 0.468 174 V N 2.555 122.395 119.914 -0.122 0.000 2.686 174 V HA 0.417 4.538 4.120 0.001 0.000 0.306 174 V C -1.044 175.175 176.094 0.208 0.000 1.065 174 V CA -1.333 61.003 62.300 0.061 0.000 0.894 174 V CB 2.141 34.015 31.823 0.085 0.000 1.004 174 V HN 0.622 nan 8.190 nan 0.000 0.424 175 K N 4.581 125.115 120.400 0.224 0.000 2.449 175 K HA 0.475 4.796 4.320 0.001 0.000 0.257 175 K C 0.432 177.165 176.600 0.222 0.000 0.989 175 K CA -0.656 55.746 56.287 0.191 0.000 0.916 175 K CB 1.381 33.945 32.500 0.107 0.000 1.136 175 K HN 0.464 nan 8.250 nan 0.000 0.439 176 I N 1.278 122.012 120.570 0.274 0.000 2.676 176 I HA -0.053 4.118 4.170 0.001 0.000 0.259 176 I C 0.294 176.553 176.117 0.237 0.000 1.194 176 I CA 1.092 62.541 61.300 0.249 0.000 1.473 176 I CB -0.625 37.525 38.000 0.251 0.000 1.096 176 I HN 0.605 nan 8.210 nan 0.000 0.443 177 E N -0.719 119.568 120.200 0.146 0.000 2.304 177 E HA 0.327 4.678 4.350 0.001 0.000 0.277 177 E C -2.003 174.534 176.600 -0.105 0.000 0.898 177 E CA -1.642 54.771 56.400 0.020 0.000 0.764 177 E CB 2.396 32.117 29.700 0.035 0.000 1.216 177 E HN -0.253 nan 8.360 nan 0.000 0.419 178 P HA -0.154 nan 4.420 nan 0.000 0.217 178 P C 0.567 177.752 177.300 -0.192 0.000 1.148 178 P CA 1.142 64.061 63.100 -0.301 0.000 0.828 178 P CB 0.152 31.498 31.700 -0.590 0.000 0.783 179 N N -1.247 117.355 118.700 -0.162 0.000 2.398 179 N HA -0.012 4.729 4.740 0.001 0.000 0.188 179 N C 0.193 175.659 175.510 -0.073 0.000 1.122 179 N CA 0.255 53.250 53.050 -0.092 0.000 0.866 179 N CB -0.260 38.194 38.487 -0.056 0.000 0.970 179 N HN 0.093 nan 8.380 nan 0.000 0.462 180 L N 1.400 122.579 121.223 -0.073 0.000 2.416 180 L HA 0.512 4.853 4.340 0.001 0.000 0.262 180 L C -2.120 174.686 176.870 -0.107 0.000 1.093 180 L CA -2.226 52.571 54.840 -0.071 0.000 0.801 180 L CB 0.743 42.779 42.059 -0.039 0.000 1.191 180 L HN -0.054 nan 8.230 nan 0.000 0.459 181 P HA 0.205 nan 4.420 nan 0.000 0.275 181 P C -0.942 176.203 177.300 -0.258 0.000 1.227 181 P CA -0.336 62.659 63.100 -0.175 0.000 0.781 181 P CB 0.561 32.157 31.700 -0.173 0.000 0.906 182 S N 1.482 117.084 115.700 -0.162 0.000 2.593 182 S HA 0.251 4.721 4.470 0.001 0.000 0.269 182 S C -0.198 174.254 174.600 -0.247 0.000 1.334 182 S CA -0.076 58.063 58.200 -0.103 0.000 1.015 182 S CB -0.117 63.145 63.200 0.103 0.000 0.912 182 S HN 0.268 nan 8.310 nan 0.000 0.541 183 Y N 0.347 120.666 120.300 0.032 0.000 2.376 183 Y HA 0.460 5.010 4.550 0.001 0.000 0.325 183 Y C 1.000 176.826 175.900 -0.125 0.000 1.199 183 Y CA -0.692 57.402 58.100 -0.009 0.000 1.206 183 Y CB 0.689 39.145 38.460 -0.007 0.000 1.229 183 Y HN 0.332 nan 8.280 nan 0.000 0.480 184 R N 3.379 123.843 120.500 -0.061 0.000 2.287 184 R HA 0.256 4.597 4.340 0.001 0.000 0.316 184 R C 0.128 176.122 176.300 -0.510 0.000 1.050 184 R CA -0.064 55.713 56.100 -0.537 0.000 0.983 184 R CB 0.251 30.129 30.300 -0.702 0.000 1.140 184 R HN 0.783 nan 8.270 nan 0.000 0.528 185 I N 1.192 121.420 120.570 -0.570 0.000 2.286 185 I HA -0.101 4.069 4.170 0.001 0.000 0.245 185 I C 1.317 177.199 176.117 -0.391 0.000 1.104 185 I CA 1.333 62.399 61.300 -0.391 0.000 1.397 185 I CB -0.655 37.070 38.000 -0.459 0.000 1.072 185 I HN 0.412 nan 8.210 nan 0.000 0.417 186 T N -4.044 110.141 114.554 -0.616 0.000 2.907 186 T HA 0.402 4.753 4.350 0.001 0.000 0.292 186 T C -0.655 173.717 174.700 -0.546 0.000 1.043 186 T CA -0.578 61.266 62.100 -0.427 0.000 1.003 186 T CB 1.847 70.460 68.868 -0.426 0.000 1.084 186 T HN 0.179 nan 8.240 nan 0.000 0.483 187 W N 0.489 121.676 121.300 -0.188 0.000 2.499 187 W HA 0.258 4.919 4.660 0.001 0.000 0.362 187 W C 1.760 178.219 176.519 -0.100 0.000 0.945 187 W CA -0.147 57.122 57.345 -0.128 0.000 1.721 187 W CB 0.363 29.770 29.460 -0.089 0.000 1.156 187 W HN 0.944 nan 8.180 nan 0.000 0.547 188 T N -3.255 111.325 114.554 0.044 0.000 3.023 188 T HA 0.293 4.644 4.350 0.001 0.000 0.253 188 T C 1.226 175.909 174.700 -0.028 0.000 1.038 188 T CA 0.173 62.285 62.100 0.021 0.000 0.962 188 T CB -0.074 68.803 68.868 0.014 0.000 1.018 188 T HN -0.016 nan 8.240 nan 0.000 0.521 189 G N 1.445 110.198 108.800 -0.078 0.000 2.321 189 G HA2 0.352 4.313 3.960 0.001 0.000 0.237 189 G HA3 0.352 4.313 3.960 0.001 0.000 0.237 189 G C -0.596 174.230 174.900 -0.123 0.000 1.282 189 G CA -0.376 44.654 45.100 -0.117 0.000 0.886 189 G HN 0.589 nan 8.290 nan 0.000 0.528 190 K N 2.234 122.537 120.400 -0.163 0.000 2.656 190 K HA 0.176 4.497 4.320 0.001 0.000 0.253 190 K C -0.059 176.412 176.600 -0.214 0.000 1.002 190 K CA -0.626 55.571 56.287 -0.151 0.000 0.880 190 K CB 1.219 33.664 32.500 -0.091 0.000 1.232 190 K HN 0.604 nan 8.250 nan 0.000 0.456 191 E N 3.256 123.340 120.200 -0.194 0.000 3.131 191 E HA -0.206 4.144 4.350 0.001 0.000 0.258 191 E C -0.600 175.909 176.600 -0.151 0.000 0.901 191 E CA 1.180 57.474 56.400 -0.177 0.000 0.964 191 E CB 0.154 29.785 29.700 -0.116 0.000 0.903 191 E HN 0.668 nan 8.360 nan 0.000 0.537 192 D N 2.402 122.696 120.400 -0.176 0.000 3.059 192 D HA -0.239 4.401 4.640 0.001 0.000 0.220 192 D C 0.280 176.573 176.300 -0.012 0.000 1.169 192 D CA 1.543 55.541 54.000 -0.003 0.000 0.902 192 D CB -0.943 39.911 40.800 0.090 0.000 1.116 192 D HN 0.518 nan 8.370 nan 0.000 0.417 193 I N -1.630 118.822 120.570 -0.198 0.000 3.859 193 I HA 0.122 4.293 4.170 0.001 0.000 0.266 193 I C 0.189 176.296 176.117 -0.017 0.000 1.132 193 I CA -0.123 61.163 61.300 -0.023 0.000 1.361 193 I CB 0.551 38.548 38.000 -0.005 0.000 1.690 193 I HN -0.199 nan 8.210 nan 0.000 0.424 194 I N 1.291 121.766 120.570 -0.160 0.000 2.382 194 I HA 0.256 4.427 4.170 0.001 0.000 0.286 194 I C -1.417 174.604 176.117 -0.159 0.000 1.002 194 I CA -0.334 60.946 61.300 -0.033 0.000 1.135 194 I CB 0.870 38.873 38.000 0.005 0.000 1.288 194 I HN -0.035 nan 8.210 nan 0.000 0.448 195 Y N 4.594 124.982 120.300 0.146 0.000 2.342 195 Y HA 0.464 5.014 4.550 0.001 0.000 0.338 195 Y C 0.076 176.030 175.900 0.089 0.000 0.965 195 Y CA -0.759 57.423 58.100 0.137 0.000 1.159 195 Y CB 0.826 39.444 38.460 0.265 0.000 1.157 195 Y HN 0.466 nan 8.280 nan 0.000 0.486 196 N N 1.705 120.459 118.700 0.090 0.000 2.476 196 N HA 0.450 5.191 4.740 0.001 0.000 0.257 196 N C 0.573 176.012 175.510 -0.118 0.000 0.970 196 N CA 0.096 53.130 53.050 -0.026 0.000 0.938 196 N CB 1.411 39.786 38.487 -0.187 0.000 1.144 196 N HN 0.930 nan 8.380 nan 0.000 0.500 197 G N 1.805 110.559 108.800 -0.077 0.000 2.179 197 G HA2 -0.254 3.706 3.960 0.001 0.000 0.260 197 G HA3 -0.254 3.706 3.960 0.001 0.000 0.260 197 G C 0.026 174.766 174.900 -0.266 0.000 0.977 197 G CA 0.539 45.514 45.100 -0.209 0.000 0.641 197 G HN 0.589 nan 8.290 nan 0.000 0.533 198 I N -1.453 119.033 120.570 -0.141 0.000 2.730 198 I HA 0.780 4.951 4.170 0.001 0.000 0.298 198 I C 0.392 176.555 176.117 0.077 0.000 1.089 198 I CA -0.724 60.420 61.300 -0.261 0.000 1.041 198 I CB 2.006 39.660 38.000 -0.576 0.000 1.235 198 I HN 0.160 nan 8.210 nan 0.000 0.423 199 T N -0.270 114.284 114.554 -0.002 0.000 2.882 199 T HA 0.360 4.710 4.350 0.001 0.000 0.287 199 T C -0.131 174.400 174.700 -0.282 0.000 1.014 199 T CA -0.637 61.346 62.100 -0.194 0.000 1.049 199 T CB 1.159 69.984 68.868 -0.072 0.000 1.001 199 T HN 0.767 nan 8.240 nan 0.000 0.525 200 D N 0.264 120.259 120.400 -0.675 0.000 2.440 200 D HA 0.037 4.678 4.640 0.001 0.000 0.269 200 D C 1.004 177.245 176.300 -0.098 0.000 1.249 200 D CA -1.104 52.549 54.000 -0.579 0.000 1.055 200 D CB -0.031 40.350 40.800 -0.698 0.000 1.104 200 D HN 0.709 nan 8.370 nan 0.000 0.561 201 W N -0.035 121.199 121.300 -0.109 0.000 2.318 201 W HA -0.218 4.443 4.660 0.001 0.000 0.313 201 W C 2.079 178.490 176.519 -0.180 0.000 1.221 201 W CA 2.423 59.696 57.345 -0.120 0.000 1.266 201 W CB -0.378 28.942 29.460 -0.233 0.000 1.150 201 W HN 0.184 nan 8.180 nan 0.000 0.496 202 V N -0.474 119.482 119.914 0.070 0.000 2.535 202 V HA -0.225 3.895 4.120 0.001 0.000 0.246 202 V C 1.803 177.711 176.094 -0.310 0.000 1.045 202 V CA 1.703 63.937 62.300 -0.109 0.000 1.058 202 V CB -0.704 31.066 31.823 -0.088 0.000 0.689 202 V HN 0.263 nan 8.190 nan 0.000 0.461 203 Y N 0.774 120.900 120.300 -0.290 0.000 2.352 203 Y HA -0.176 4.375 4.550 0.001 0.000 0.292 203 Y C 2.545 178.351 175.900 -0.157 0.000 1.136 203 Y CA 2.100 60.028 58.100 -0.285 0.000 1.227 203 Y CB 0.073 38.218 38.460 -0.524 0.000 0.991 203 Y HN 0.411 nan 8.280 nan 0.000 0.545 204 E N 0.356 120.522 120.200 -0.057 0.000 2.016 204 E HA -0.251 4.100 4.350 0.001 0.000 0.190 204 E C 2.046 178.607 176.600 -0.065 0.000 0.985 204 E CA 1.317 57.714 56.400 -0.004 0.000 0.802 204 E CB -0.011 29.686 29.700 -0.005 0.000 0.762 204 E HN 0.402 nan 8.360 nan 0.000 0.448 205 E N 0.160 120.126 120.200 -0.391 0.000 2.107 205 E HA -0.167 4.183 4.350 0.001 0.000 0.191 205 E C 1.707 178.178 176.600 -0.214 0.000 0.982 205 E CA 1.492 57.646 56.400 -0.411 0.000 0.809 205 E CB 0.172 29.279 29.700 -0.988 0.000 0.756 205 E HN 0.207 nan 8.360 nan 0.000 0.459 206 E N -0.830 119.220 120.200 -0.251 0.000 2.330 206 E HA 0.095 4.446 4.350 0.001 0.000 0.200 206 E C 1.963 178.435 176.600 -0.214 0.000 0.922 206 E CA 0.655 56.946 56.400 -0.183 0.000 0.935 206 E CB 0.640 30.216 29.700 -0.207 0.000 0.917 206 E HN 0.211 nan 8.360 nan 0.000 0.491 207 V N -0.161 119.577 119.914 -0.293 0.000 2.627 207 V HA 0.035 4.156 4.120 0.001 0.000 0.239 207 V C 1.590 177.488 176.094 -0.327 0.000 1.077 207 V CA 0.950 63.009 62.300 -0.402 0.000 1.103 207 V CB -0.227 31.216 31.823 -0.633 0.000 0.802 207 V HN 0.031 nan 8.190 nan 0.000 0.482 208 F N 0.360 120.340 119.950 0.050 0.000 2.678 208 F HA 0.295 4.823 4.527 0.001 0.000 0.291 208 F C 1.536 177.312 175.800 -0.041 0.000 1.123 208 F CA 0.186 58.227 58.000 0.069 0.000 1.395 208 F CB -0.192 38.896 39.000 0.147 0.000 1.121 208 F HN 0.065 nan 8.300 nan 0.000 0.592 209 S N 0.519 116.253 115.700 0.056 0.000 3.706 209 S HA 0.068 4.539 4.470 0.001 0.000 0.363 209 S C -0.055 174.116 174.600 -0.714 0.000 0.999 209 S CA 0.375 58.445 58.200 -0.217 0.000 1.143 209 S CB -1.841 61.311 63.200 -0.080 0.000 0.902 209 S HN 0.709 nan 8.310 nan 0.000 0.476 210 A N -0.612 122.005 122.820 -0.338 0.000 2.590 210 A HA 0.634 4.955 4.320 0.001 0.000 0.296 210 A C -0.385 177.196 177.584 -0.005 0.000 1.050 210 A CA -0.408 51.488 52.037 -0.236 0.000 0.697 210 A CB 0.313 19.191 19.000 -0.203 0.000 1.277 210 A HN 0.381 nan 8.150 nan 0.000 0.411 211 Y N 1.521 121.719 120.300 -0.171 0.000 2.314 211 Y HA 0.104 4.655 4.550 0.001 0.000 0.294 211 Y C 1.636 177.309 175.900 -0.378 0.000 1.119 211 Y CA 1.111 59.112 58.100 -0.164 0.000 1.179 211 Y CB 0.273 38.688 38.460 -0.076 0.000 1.025 211 Y HN 0.736 nan 8.280 nan 0.000 0.541 212 S N 0.398 115.641 115.700 -0.763 0.000 2.558 212 S HA 0.241 4.712 4.470 0.001 0.000 0.287 212 S C 0.144 174.228 174.600 -0.860 0.000 1.321 212 S CA 0.499 57.975 58.200 -1.206 0.000 1.048 212 S CB 0.700 62.835 63.200 -1.774 0.000 0.844 212 S HN 0.446 nan 8.310 nan 0.000 0.512 213 A N 4.948 127.223 122.820 -0.908 0.000 2.958 213 A HA 0.461 4.781 4.320 0.001 0.000 0.214 213 A C -0.772 176.049 177.584 -1.271 0.000 0.902 213 A CA -0.489 50.886 52.037 -1.103 0.000 1.136 213 A CB -0.016 18.743 19.000 -0.402 0.000 1.250 213 A HN 0.644 nan 8.150 nan 0.000 0.497 214 L N 0.377 120.842 121.223 -1.263 0.000 2.365 214 L HA 0.675 5.015 4.340 0.001 0.000 0.273 214 L C -0.978 175.392 176.870 -0.834 0.000 1.000 214 L CA -0.599 53.762 54.840 -0.798 0.000 0.819 214 L CB 1.727 43.534 42.059 -0.419 0.000 1.284 214 L HN 0.419 nan 8.230 nan 0.000 0.418 215 W N 1.826 123.141 121.300 0.024 0.000 2.756 215 W HA 0.272 4.933 4.660 0.001 0.000 0.333 215 W C -1.153 175.543 176.519 0.295 0.000 1.025 215 W CA -1.055 56.422 57.345 0.220 0.000 1.246 215 W CB 1.328 30.971 29.460 0.305 0.000 1.358 215 W HN 0.483 nan 8.180 nan 0.000 0.444 216 W N 1.999 123.503 121.300 0.340 0.000 2.126 216 W HA 0.257 4.918 4.660 0.001 0.000 0.346 216 W C 1.304 177.561 176.519 -0.436 0.000 1.279 216 W CA 0.264 57.651 57.345 0.070 0.000 1.259 216 W CB 0.514 29.991 29.460 0.029 0.000 1.133 216 W HN 0.209 nan 8.180 nan 0.000 0.592 217 S N 1.502 116.774 115.700 -0.714 0.000 2.600 217 S HA 0.209 4.680 4.470 0.001 0.000 0.265 217 S C -1.750 172.605 174.600 -0.408 0.000 1.325 217 S CA -0.953 56.400 58.200 -1.412 0.000 1.002 217 S CB 1.151 63.593 63.200 -1.263 0.000 0.921 217 S HN 0.246 nan 8.310 nan 0.000 0.554 218 P HA -0.175 nan 4.420 nan 0.000 0.214 218 P C 0.970 178.244 177.300 -0.044 0.000 1.169 218 P CA 1.671 64.746 63.100 -0.042 0.000 0.908 218 P CB -0.290 31.427 31.700 0.027 0.000 0.791 219 N N -0.791 117.879 118.700 -0.051 0.000 2.421 219 N HA 0.048 4.789 4.740 0.001 0.000 0.201 219 N C 0.884 176.347 175.510 -0.079 0.000 1.198 219 N CA 0.678 53.697 53.050 -0.052 0.000 0.838 219 N CB -1.450 37.020 38.487 -0.029 0.000 1.011 219 N HN 0.163 nan 8.380 nan 0.000 0.463 220 G N -0.662 108.096 108.800 -0.070 0.000 2.341 220 G HA2 -0.326 3.635 3.960 0.001 0.000 0.292 220 G HA3 -0.326 3.635 3.960 0.001 0.000 0.292 220 G C 0.654 175.608 174.900 0.090 0.000 1.021 220 G CA 1.036 46.134 45.100 -0.003 0.000 0.905 220 G HN 0.428 nan 8.290 nan 0.000 0.508 221 T N -0.783 113.765 114.554 -0.010 0.000 2.901 221 T HA 0.303 4.654 4.350 0.001 0.000 0.252 221 T C 0.822 175.391 174.700 -0.218 0.000 1.035 221 T CA 0.781 62.778 62.100 -0.171 0.000 1.142 221 T CB 0.058 68.704 68.868 -0.369 0.000 0.869 221 T HN 0.264 nan 8.240 nan 0.000 0.442 222 F N 0.897 120.855 119.950 0.012 0.000 2.397 222 F HA 0.617 5.145 4.527 0.001 0.000 0.331 222 F C -0.242 175.595 175.800 0.062 0.000 1.090 222 F CA -1.448 56.597 58.000 0.076 0.000 1.065 222 F CB 0.987 40.116 39.000 0.214 0.000 1.184 222 F HN -0.076 nan 8.300 nan 0.000 0.499 223 L N 2.909 124.264 121.223 0.220 0.000 2.319 223 L HA 0.758 5.099 4.340 0.001 0.000 0.281 223 L C -0.588 176.376 176.870 0.157 0.000 1.005 223 L CA -0.608 54.205 54.840 -0.045 0.000 0.828 223 L CB 0.730 42.541 42.059 -0.414 0.000 1.227 223 L HN 0.654 nan 8.230 nan 0.000 0.415 224 A N 5.231 128.221 122.820 0.284 0.000 2.301 224 A HA 0.670 4.991 4.320 0.001 0.000 0.298 224 A C -1.280 176.371 177.584 0.113 0.000 1.185 224 A CA -0.276 51.847 52.037 0.143 0.000 0.830 224 A CB 0.192 19.397 19.000 0.343 0.000 1.112 224 A HN 0.818 nan 8.150 nan 0.000 0.508 225 Y N -0.519 119.586 120.300 -0.324 0.000 2.581 225 Y HA 0.793 5.343 4.550 0.001 0.000 0.345 225 Y C -0.224 175.479 175.900 -0.329 0.000 1.036 225 Y CA -1.085 56.855 58.100 -0.265 0.000 1.042 225 Y CB 1.224 39.514 38.460 -0.283 0.000 1.289 225 Y HN 0.814 nan 8.280 nan 0.000 0.471 226 A N 2.622 125.431 122.820 -0.018 0.000 2.324 226 A HA 0.589 4.909 4.320 0.001 0.000 0.330 226 A C -1.113 176.352 177.584 -0.199 0.000 1.165 226 A CA -0.850 51.092 52.037 -0.158 0.000 0.813 226 A CB 1.499 20.398 19.000 -0.169 0.000 1.197 226 A HN 0.824 nan 8.150 nan 0.000 0.484 227 Q N 1.947 121.619 119.800 -0.214 0.000 2.341 227 Q HA 0.572 4.913 4.340 0.001 0.000 0.268 227 Q C -1.952 173.914 176.000 -0.223 0.000 1.013 227 Q CA -0.351 55.403 55.803 -0.081 0.000 0.798 227 Q CB 0.756 29.606 28.738 0.185 0.000 1.253 227 Q HN 0.587 nan 8.270 nan 0.000 0.457 228 F N 2.345 122.411 119.950 0.193 0.000 2.422 228 F HA 0.402 4.930 4.527 0.001 0.000 0.333 228 F C 0.578 176.558 175.800 0.301 0.000 1.095 228 F CA -0.859 57.253 58.000 0.186 0.000 1.038 228 F CB 1.141 40.185 39.000 0.074 0.000 1.156 228 F HN 0.465 nan 8.300 nan 0.000 0.483 229 N N 1.782 120.738 118.700 0.427 0.000 2.443 229 N HA 0.190 4.931 4.740 0.001 0.000 0.269 229 N C -0.932 174.771 175.510 0.323 0.000 0.985 229 N CA -0.293 52.951 53.050 0.324 0.000 0.921 229 N CB 1.095 39.714 38.487 0.221 0.000 1.195 229 N HN 0.534 nan 8.380 nan 0.000 0.492 230 D N 1.844 122.445 120.400 0.335 0.000 2.463 230 D HA 0.153 4.794 4.640 0.001 0.000 0.224 230 D C 1.034 177.452 176.300 0.196 0.000 1.174 230 D CA 0.129 54.306 54.000 0.296 0.000 0.829 230 D CB 0.465 41.509 40.800 0.407 0.000 0.993 230 D HN 0.492 nan 8.370 nan 0.000 0.497 231 T N 0.031 114.679 114.554 0.157 0.000 2.720 231 T HA -0.152 4.199 4.350 0.001 0.000 0.268 231 T C 1.316 176.072 174.700 0.094 0.000 1.037 231 T CA 1.192 63.358 62.100 0.110 0.000 1.144 231 T CB 0.079 69.000 68.868 0.089 0.000 0.864 231 T HN 0.273 nan 8.240 nan 0.000 0.444 232 E N 0.357 120.613 120.200 0.095 0.000 2.501 232 E HA 0.178 4.528 4.350 0.001 0.000 0.200 232 E C -0.589 176.060 176.600 0.082 0.000 1.016 232 E CA -0.205 56.241 56.400 0.076 0.000 0.921 232 E CB 0.712 30.449 29.700 0.062 0.000 1.034 232 E HN 0.174 nan 8.360 nan 0.000 0.468 233 V N 4.859 124.836 119.914 0.105 0.000 2.415 233 V HA 0.085 4.206 4.120 0.001 0.000 0.267 233 V C -1.801 174.351 176.094 0.097 0.000 1.042 233 V CA -1.337 61.029 62.300 0.111 0.000 1.000 233 V CB -0.115 31.794 31.823 0.143 0.000 1.015 233 V HN 0.097 nan 8.190 nan 0.000 0.478 234 P HA 0.195 nan 4.420 nan 0.000 0.270 234 P C -0.674 176.662 177.300 0.059 0.000 1.223 234 P CA -0.224 62.912 63.100 0.061 0.000 0.785 234 P CB 0.894 32.625 31.700 0.052 0.000 0.923 235 L N 1.779 123.017 121.223 0.026 0.000 2.325 235 L HA 0.418 4.759 4.340 0.001 0.000 0.279 235 L C 0.766 177.598 176.870 -0.062 0.000 1.054 235 L CA -1.105 53.736 54.840 0.002 0.000 0.804 235 L CB 0.956 43.010 42.059 -0.008 0.000 1.200 235 L HN 0.294 nan 8.230 nan 0.000 0.436 236 I N 2.292 122.785 120.570 -0.129 0.000 2.395 236 I HA 0.207 4.378 4.170 0.001 0.000 0.289 236 I C -0.304 175.695 176.117 -0.196 0.000 1.023 236 I CA 0.416 61.549 61.300 -0.278 0.000 1.350 236 I CB 0.711 38.306 38.000 -0.674 0.000 1.409 236 I HN 0.573 nan 8.210 nan 0.000 0.507 237 E N 7.292 127.393 120.200 -0.165 0.000 2.222 237 E HA 0.554 4.905 4.350 0.001 0.000 0.267 237 E C -1.727 174.836 176.600 -0.062 0.000 0.884 237 E CA -0.609 55.693 56.400 -0.163 0.000 0.764 237 E CB 2.088 31.709 29.700 -0.131 0.000 1.169 237 E HN 0.575 nan 8.360 nan 0.000 0.413 238 Y N -1.913 118.303 120.300 -0.140 0.000 2.689 238 Y HA 0.553 5.104 4.550 0.001 0.000 0.333 238 Y C -0.982 174.845 175.900 -0.122 0.000 1.208 238 Y CA -1.237 56.784 58.100 -0.132 0.000 1.055 238 Y CB 0.817 39.201 38.460 -0.127 0.000 1.304 238 Y HN 0.240 nan 8.280 nan 0.000 0.455 239 S N 1.469 117.170 115.700 0.002 0.000 2.554 239 S HA 0.584 5.054 4.470 0.001 0.000 0.278 239 S C -1.610 172.855 174.600 -0.225 0.000 1.242 239 S CA -0.472 57.569 58.200 -0.264 0.000 1.051 239 S CB 0.730 63.601 63.200 -0.548 0.000 0.986 239 S HN 0.536 nan 8.310 nan 0.000 0.502 240 F N 2.355 122.063 119.950 -0.404 0.000 2.499 240 F HA 0.419 4.946 4.527 0.001 0.000 0.333 240 F C -0.240 175.367 175.800 -0.321 0.000 1.138 240 F CA -0.843 57.013 58.000 -0.240 0.000 0.945 240 F CB 0.740 39.712 39.000 -0.047 0.000 1.181 240 F HN 0.674 nan 8.300 nan 0.000 0.435 241 Y N 2.766 122.944 120.300 -0.203 0.000 2.420 241 Y HA 0.079 4.629 4.550 0.001 0.000 0.292 241 Y C 1.754 177.644 175.900 -0.016 0.000 1.119 241 Y CA 1.191 59.234 58.100 -0.096 0.000 1.229 241 Y CB -0.443 37.923 38.460 -0.157 0.000 1.026 241 Y HN 0.747 nan 8.280 nan 0.000 0.554 242 S N -0.144 115.583 115.700 0.046 0.000 3.307 242 S HA -0.319 4.152 4.470 0.001 0.000 0.634 242 S C -0.155 174.531 174.600 0.144 0.000 2.711 242 S CA 0.315 58.663 58.200 0.246 0.000 2.940 242 S CB -1.282 62.138 63.200 0.367 0.000 0.331 242 S HN 0.547 nan 8.310 nan 0.000 1.766 243 D N 1.300 121.791 120.400 0.152 0.000 2.378 243 D HA 0.240 4.881 4.640 0.001 0.000 0.238 243 D C 1.518 177.863 176.300 0.075 0.000 1.180 243 D CA 0.815 54.874 54.000 0.099 0.000 0.895 243 D CB 0.411 41.265 40.800 0.091 0.000 1.192 243 D HN 0.588 nan 8.370 nan 0.000 0.438 244 E N 0.099 120.329 120.200 0.049 0.000 2.333 244 E HA -0.197 4.154 4.350 0.001 0.000 0.198 244 E C 1.198 177.817 176.600 0.032 0.000 1.007 244 E CA 1.092 57.511 56.400 0.032 0.000 0.845 244 E CB -0.082 29.627 29.700 0.015 0.000 0.766 244 E HN 0.348 nan 8.360 nan 0.000 0.507 245 S N 0.388 116.113 115.700 0.041 0.000 2.515 245 S HA -0.058 4.413 4.470 0.001 0.000 0.231 245 S C 0.849 175.479 174.600 0.049 0.000 0.987 245 S CA -0.134 58.090 58.200 0.039 0.000 0.936 245 S CB -0.231 62.994 63.200 0.041 0.000 0.766 245 S HN 0.289 nan 8.310 nan 0.000 0.528 246 L N 2.489 123.751 121.223 0.065 0.000 2.325 246 L HA 0.333 4.674 4.340 0.001 0.000 0.284 246 L C 1.291 178.197 176.870 0.059 0.000 1.089 246 L CA 0.052 54.940 54.840 0.080 0.000 0.836 246 L CB 0.772 42.896 42.059 0.109 0.000 1.184 246 L HN 0.246 nan 8.230 nan 0.000 0.444 247 Q N 4.012 123.846 119.800 0.057 0.000 2.020 247 Q HA -0.059 4.282 4.340 0.001 0.000 0.198 247 Q C -0.433 175.484 176.000 -0.139 0.000 0.974 247 Q CA 1.198 56.980 55.803 -0.034 0.000 0.829 247 Q CB 0.073 28.810 28.738 -0.002 0.000 0.894 247 Q HN 0.664 nan 8.270 nan 0.000 0.433 248 Y N 1.223 121.538 120.300 0.025 0.000 2.328 248 Y HA 0.352 4.903 4.550 0.001 0.000 0.337 248 Y C -1.973 173.939 175.900 0.020 0.000 1.008 248 Y CA -2.825 55.286 58.100 0.019 0.000 1.129 248 Y CB 1.054 39.517 38.460 0.004 0.000 1.185 248 Y HN 0.223 nan 8.280 nan 0.000 0.476 249 P HA 0.018 nan 4.420 nan 0.000 0.269 249 P C -0.771 176.538 177.300 0.016 0.000 1.209 249 P CA -0.451 62.673 63.100 0.040 0.000 0.776 249 P CB 0.673 32.349 31.700 -0.039 0.000 0.876 250 K N 1.481 121.874 120.400 -0.012 0.000 2.183 250 K HA 0.291 4.612 4.320 0.001 0.000 0.274 250 K C -0.725 175.822 176.600 -0.089 0.000 1.009 250 K CA -0.267 56.007 56.287 -0.022 0.000 0.888 250 K CB 0.530 33.038 32.500 0.013 0.000 1.078 250 K HN 0.349 nan 8.250 nan 0.000 0.459 251 T N 3.594 118.082 114.554 -0.111 0.000 2.727 251 T HA 0.177 4.528 4.350 0.001 0.000 0.298 251 T C -0.205 174.362 174.700 -0.221 0.000 0.942 251 T CA -0.555 61.444 62.100 -0.169 0.000 0.997 251 T CB 0.748 69.537 68.868 -0.132 0.000 0.917 251 T HN 0.261 nan 8.240 nan 0.000 0.487 252 V N 5.615 125.302 119.914 -0.378 0.000 2.583 252 V HA 0.411 4.532 4.120 0.001 0.000 0.287 252 V C 0.487 176.310 176.094 -0.451 0.000 1.051 252 V CA -0.501 61.533 62.300 -0.443 0.000 1.010 252 V CB 0.740 32.155 31.823 -0.679 0.000 0.988 252 V HN 0.733 nan 8.190 nan 0.000 0.478 253 R N 3.315 123.682 120.500 -0.223 0.000 2.502 253 R HA 0.714 5.055 4.340 0.001 0.000 0.300 253 R C -1.745 174.547 176.300 -0.014 0.000 0.984 253 R CA -0.596 55.422 56.100 -0.136 0.000 0.882 253 R CB 2.188 32.436 30.300 -0.088 0.000 1.180 253 R HN 0.503 nan 8.270 nan 0.000 0.444 254 V N 3.701 123.613 119.914 -0.003 0.000 2.531 254 V HA 0.350 4.471 4.120 0.001 0.000 0.301 254 V C -2.338 173.805 176.094 0.082 0.000 1.034 254 V CA -2.533 59.822 62.300 0.092 0.000 0.865 254 V CB 2.046 33.895 31.823 0.043 0.000 0.995 254 V HN 0.610 nan 8.190 nan 0.000 0.424 255 P HA 0.160 nan 4.420 nan 0.000 0.266 255 P C -1.216 176.179 177.300 0.159 0.000 1.215 255 P CA 0.420 63.620 63.100 0.167 0.000 0.763 255 P CB -0.150 31.692 31.700 0.236 0.000 0.806 256 Y N 5.695 125.972 120.300 -0.038 0.000 2.274 256 Y HA 0.318 4.869 4.550 0.001 0.000 0.323 256 Y C -2.694 173.175 175.900 -0.052 0.000 1.171 256 Y CA -2.484 55.537 58.100 -0.133 0.000 1.163 256 Y CB 2.030 40.300 38.460 -0.317 0.000 1.183 256 Y HN 0.289 nan 8.280 nan 0.000 0.424 257 P HA 0.225 nan 4.420 nan 0.000 0.288 257 P C -1.036 176.325 177.300 0.102 0.000 1.363 257 P CA -0.187 62.958 63.100 0.076 0.000 0.837 257 P CB 1.089 32.813 31.700 0.040 0.000 0.981 258 K N 2.067 122.612 120.400 0.241 0.000 2.180 258 K HA 0.427 4.747 4.320 0.001 0.000 0.251 258 K C 0.639 177.343 176.600 0.173 0.000 1.014 258 K CA -0.589 55.849 56.287 0.252 0.000 0.913 258 K CB 0.556 33.210 32.500 0.256 0.000 1.008 258 K HN 0.445 nan 8.250 nan 0.000 0.490 259 A N 1.014 123.959 122.820 0.208 0.000 2.573 259 A HA 0.264 4.584 4.320 0.001 0.000 0.250 259 A C 1.231 178.863 177.584 0.079 0.000 1.049 259 A CA 1.028 53.176 52.037 0.183 0.000 0.767 259 A CB -1.088 18.101 19.000 0.315 0.000 0.965 259 A HN 0.927 nan 8.150 nan 0.000 0.514 260 G N 1.001 109.835 108.800 0.056 0.000 2.217 260 G HA2 0.128 4.089 3.960 0.001 0.000 0.246 260 G HA3 0.128 4.089 3.960 0.001 0.000 0.246 260 G C 0.683 175.601 174.900 0.029 0.000 0.990 260 G CA 0.597 45.703 45.100 0.012 0.000 0.627 260 G HN 2.178 nan 8.290 nan 0.000 0.522 261 A N -0.051 122.802 122.820 0.056 0.000 2.280 261 A HA 0.712 5.033 4.320 0.001 0.000 0.268 261 A C 0.945 178.562 177.584 0.055 0.000 1.111 261 A CA 0.371 52.443 52.037 0.059 0.000 0.814 261 A CB 0.583 19.632 19.000 0.082 0.000 1.093 261 A HN 1.204 nan 8.150 nan 0.000 0.498 262 V N 2.431 122.377 119.914 0.054 0.000 2.540 262 V HA -0.007 4.113 4.120 0.001 0.000 0.297 262 V C 0.394 176.533 176.094 0.074 0.000 1.024 262 V CA 0.136 62.468 62.300 0.054 0.000 1.105 262 V CB -0.312 31.544 31.823 0.055 0.000 0.938 262 V HN 0.802 nan 8.190 nan 0.000 0.482 263 N N 6.132 124.875 118.700 0.071 0.000 2.492 263 N HA 0.457 5.198 4.740 0.001 0.000 0.289 263 N C -2.430 173.164 175.510 0.141 0.000 1.133 263 N CA -1.612 51.503 53.050 0.108 0.000 0.961 263 N CB 1.143 39.685 38.487 0.093 0.000 1.186 263 N HN 0.376 nan 8.380 nan 0.000 0.493 264 P HA 0.002 nan 4.420 nan 0.000 0.266 264 P C -0.222 177.243 177.300 0.275 0.000 1.193 264 P CA 0.059 63.331 63.100 0.286 0.000 0.770 264 P CB 0.101 32.045 31.700 0.406 0.000 0.836 265 T N -1.054 113.644 114.554 0.240 0.000 2.936 265 T HA 0.615 4.966 4.350 0.001 0.000 0.282 265 T C -0.283 174.582 174.700 0.275 0.000 1.003 265 T CA -0.847 61.359 62.100 0.177 0.000 1.005 265 T CB 1.518 70.450 68.868 0.107 0.000 1.097 265 T HN 0.324 nan 8.240 nan 0.000 0.532 266 V N 0.366 120.420 119.914 0.234 0.000 2.851 266 V HA 0.669 4.790 4.120 0.001 0.000 0.307 266 V C -1.533 174.688 176.094 0.212 0.000 1.129 266 V CA -0.811 61.615 62.300 0.210 0.000 0.932 266 V CB 2.105 34.106 31.823 0.297 0.000 1.024 266 V HN 1.056 nan 8.190 nan 0.000 0.426 267 K N 4.559 125.024 120.400 0.109 0.000 2.400 267 K HA 0.650 4.971 4.320 0.001 0.000 0.246 267 K C -1.851 174.728 176.600 -0.036 0.000 0.995 267 K CA -0.582 55.733 56.287 0.048 0.000 0.840 267 K CB 2.844 35.358 32.500 0.023 0.000 1.293 267 K HN 0.532 nan 8.250 nan 0.000 0.445 268 F N 1.667 121.341 119.950 -0.460 0.000 2.540 268 F HA 0.562 5.089 4.527 0.001 0.000 0.317 268 F C -1.570 173.691 175.800 -0.899 0.000 1.104 268 F CA -0.651 57.060 58.000 -0.482 0.000 0.913 268 F CB 0.979 39.847 39.000 -0.219 0.000 1.170 268 F HN 0.381 nan 8.300 nan 0.000 0.450 269 F N 3.977 123.227 119.950 -1.167 0.000 2.599 269 F HA 0.763 5.291 4.527 0.001 0.000 0.311 269 F C -1.048 174.173 175.800 -0.964 0.000 1.076 269 F CA -1.175 56.258 58.000 -0.946 0.000 0.937 269 F CB 2.234 40.538 39.000 -1.160 0.000 1.282 269 F HN 0.131 nan 8.300 nan 0.000 0.460 270 V N 2.765 122.515 119.914 -0.273 0.000 2.569 270 V HA 0.540 4.661 4.120 0.001 0.000 0.301 270 V C -1.129 175.084 176.094 0.199 0.000 1.044 270 V CA -0.788 61.452 62.300 -0.099 0.000 0.874 270 V CB 1.903 33.537 31.823 -0.314 0.000 1.002 270 V HN 0.611 nan 8.190 nan 0.000 0.424 271 V N 4.587 124.658 119.914 0.262 0.000 2.667 271 V HA 0.573 4.694 4.120 0.001 0.000 0.308 271 V C -0.207 176.068 176.094 0.302 0.000 1.048 271 V CA -0.598 61.866 62.300 0.273 0.000 0.928 271 V CB 2.069 34.002 31.823 0.182 0.000 1.004 271 V HN 0.958 nan 8.190 nan 0.000 0.444 272 N N 3.054 121.892 118.700 0.230 0.000 2.419 272 N HA 0.131 4.871 4.740 0.001 0.000 0.264 272 N C 0.867 176.348 175.510 -0.048 0.000 1.031 272 N CA 0.437 53.498 53.050 0.020 0.000 0.951 272 N CB 1.919 40.385 38.487 -0.034 0.000 1.101 272 N HN 0.892 nan 8.380 nan 0.000 0.488 273 T N -0.108 114.402 114.554 -0.073 0.000 3.067 273 T HA 0.031 4.382 4.350 0.001 0.000 0.257 273 T C 0.633 175.282 174.700 -0.084 0.000 1.105 273 T CA 0.529 62.606 62.100 -0.037 0.000 1.104 273 T CB 0.163 69.102 68.868 0.119 0.000 0.925 273 T HN 0.362 nan 8.240 nan 0.000 0.498 274 D N 2.366 122.695 120.400 -0.119 0.000 2.347 274 D HA 0.029 4.670 4.640 0.001 0.000 0.215 274 D C 1.049 177.289 176.300 -0.100 0.000 0.976 274 D CA 0.728 54.666 54.000 -0.104 0.000 0.884 274 D CB 0.054 40.782 40.800 -0.120 0.000 0.915 274 D HN 0.638 nan 8.370 nan 0.000 0.526 275 S N 0.292 115.926 115.700 -0.111 0.000 2.422 275 S HA 0.294 4.764 4.470 0.001 0.000 0.226 275 S C -0.162 174.360 174.600 -0.130 0.000 1.242 275 S CA -0.751 57.395 58.200 -0.089 0.000 1.231 275 S CB 0.224 63.401 63.200 -0.039 0.000 1.067 275 S HN -0.157 nan 8.310 nan 0.000 0.462 276 L N 2.380 123.443 121.223 -0.266 0.000 2.305 276 L HA 0.614 4.954 4.340 0.001 0.000 0.281 276 L C 0.469 177.132 176.870 -0.344 0.000 1.085 276 L CA 0.189 54.766 54.840 -0.439 0.000 0.813 276 L CB 1.277 42.718 42.059 -1.030 0.000 1.157 276 L HN 0.533 nan 8.230 nan 0.000 0.436 277 S N 1.044 116.674 115.700 -0.116 0.000 2.578 277 S HA 0.479 4.949 4.470 0.001 0.000 0.301 277 S C 0.816 175.548 174.600 0.219 0.000 1.091 277 S CA -0.434 57.800 58.200 0.056 0.000 1.032 277 S CB 1.431 64.662 63.200 0.052 0.000 1.064 277 S HN 0.602 nan 8.310 nan 0.000 0.508 278 S N 1.722 117.569 115.700 0.245 0.000 2.517 278 S HA 0.098 4.569 4.470 0.001 0.000 0.214 278 S C 0.991 175.675 174.600 0.139 0.000 0.991 278 S CA 0.037 58.371 58.200 0.223 0.000 0.906 278 S CB 0.248 63.554 63.200 0.175 0.000 0.789 278 S HN 0.576 nan 8.310 nan 0.000 0.513 279 V N 1.832 121.810 119.914 0.106 0.000 3.578 279 V HA 0.220 4.340 4.120 0.001 0.000 0.290 279 V C 0.517 176.644 176.094 0.056 0.000 1.376 279 V CA 0.369 62.711 62.300 0.070 0.000 1.083 279 V CB -0.309 31.546 31.823 0.053 0.000 0.911 279 V HN 0.532 nan 8.190 nan 0.000 0.433 280 T N -2.374 112.222 114.554 0.070 0.000 2.933 280 T HA 0.412 4.763 4.350 0.001 0.000 0.305 280 T C -0.715 174.033 174.700 0.080 0.000 1.092 280 T CA -0.709 61.422 62.100 0.052 0.000 1.008 280 T CB 1.817 70.710 68.868 0.041 0.000 1.102 280 T HN -0.045 nan 8.240 nan 0.000 0.469 281 N N 1.930 120.665 118.700 0.059 0.000 2.438 281 N HA 0.369 5.110 4.740 0.001 0.000 0.267 281 N C 0.530 176.103 175.510 0.104 0.000 1.222 281 N CA 0.043 53.159 53.050 0.110 0.000 0.930 281 N CB 0.849 39.350 38.487 0.024 0.000 1.083 281 N HN 0.991 nan 8.380 nan 0.000 0.476 282 A N 2.666 125.559 122.820 0.122 0.000 2.587 282 A HA 0.141 4.461 4.320 0.001 0.000 0.235 282 A C 0.501 178.142 177.584 0.094 0.000 1.044 282 A CA 0.148 52.236 52.037 0.084 0.000 0.754 282 A CB -0.187 18.844 19.000 0.051 0.000 0.968 282 A HN 0.615 nan 8.150 nan 0.000 0.509 283 T N 1.011 115.623 114.554 0.096 0.000 2.809 283 T HA 0.558 4.908 4.350 0.001 0.000 0.296 283 T C -0.071 174.717 174.700 0.146 0.000 1.015 283 T CA -0.503 61.661 62.100 0.107 0.000 0.954 283 T CB 0.819 69.747 68.868 0.100 0.000 0.950 283 T HN 0.477 nan 8.240 nan 0.000 0.450 284 S N 3.559 119.346 115.700 0.144 0.000 2.576 284 S HA 0.378 4.849 4.470 0.001 0.000 0.276 284 S C 0.446 175.218 174.600 0.287 0.000 1.339 284 S CA -0.777 57.546 58.200 0.205 0.000 1.039 284 S CB 0.136 63.419 63.200 0.138 0.000 0.902 284 S HN 0.601 nan 8.310 nan 0.000 0.516 285 I N 2.644 123.395 120.570 0.301 0.000 2.331 285 I HA 0.278 4.449 4.170 0.001 0.000 0.292 285 I C 0.498 176.718 176.117 0.171 0.000 0.998 285 I CA -0.314 61.156 61.300 0.284 0.000 1.267 285 I CB 0.961 39.193 38.000 0.386 0.000 1.386 285 I HN 0.678 nan 8.210 nan 0.000 0.476 286 Q N 5.876 125.721 119.800 0.075 0.000 2.286 286 Q HA 0.470 4.811 4.340 0.001 0.000 0.257 286 Q C -1.008 174.908 176.000 -0.141 0.000 0.941 286 Q CA -0.357 55.260 55.803 -0.310 0.000 0.912 286 Q CB 1.100 29.615 28.738 -0.372 0.000 1.192 286 Q HN 0.543 nan 8.270 nan 0.000 0.410 287 I N 4.203 124.689 120.570 -0.141 0.000 2.328 287 I HA 0.191 4.362 4.170 0.001 0.000 0.287 287 I C 0.290 176.377 176.117 -0.051 0.000 1.012 287 I CA -0.721 60.562 61.300 -0.029 0.000 1.195 287 I CB 1.359 39.368 38.000 0.015 0.000 1.350 287 I HN 0.660 nan 8.210 nan 0.000 0.464 288 T N 3.170 117.658 114.554 -0.110 0.000 2.918 288 T HA 0.542 4.893 4.350 0.001 0.000 0.302 288 T C 0.485 174.975 174.700 -0.350 0.000 1.045 288 T CA -0.888 61.091 62.100 -0.201 0.000 1.114 288 T CB 1.320 70.080 68.868 -0.179 0.000 0.965 288 T HN 0.605 nan 8.240 nan 0.000 0.540 289 A N 4.485 126.865 122.820 -0.733 0.000 2.466 289 A HA 0.498 4.819 4.320 0.001 0.000 0.238 289 A C -1.679 175.433 177.584 -0.787 0.000 1.074 289 A CA -1.350 49.848 52.037 -1.398 0.000 0.774 289 A CB -0.748 17.002 19.000 -2.084 0.000 1.015 289 A HN 0.812 nan 8.150 nan 0.000 0.498 290 P HA 0.114 nan 4.420 nan 0.000 0.269 290 P C 0.851 177.948 177.300 -0.338 0.000 1.217 290 P CA 0.622 63.501 63.100 -0.369 0.000 0.783 290 P CB 0.571 32.124 31.700 -0.245 0.000 0.898 291 A N 2.446 125.137 122.820 -0.215 0.000 1.873 291 A HA -0.215 4.105 4.320 0.001 0.000 0.218 291 A C 2.190 179.669 177.584 -0.176 0.000 1.193 291 A CA 2.682 54.612 52.037 -0.178 0.000 0.629 291 A CB -1.896 17.032 19.000 -0.120 0.000 0.826 291 A HN 0.671 nan 8.150 nan 0.000 0.447 292 S N -1.369 114.248 115.700 -0.138 0.000 2.547 292 S HA -0.040 4.430 4.470 0.001 0.000 0.235 292 S C 1.638 176.160 174.600 -0.131 0.000 0.980 292 S CA 1.369 59.502 58.200 -0.112 0.000 0.941 292 S CB -0.274 62.900 63.200 -0.043 0.000 0.763 292 S HN 0.398 nan 8.310 nan 0.000 0.532 293 M N 0.849 120.306 119.600 -0.240 0.000 2.429 293 M HA 0.331 4.812 4.480 0.001 0.000 0.265 293 M C 1.962 177.999 176.300 -0.439 0.000 1.120 293 M CA 0.764 55.841 55.300 -0.371 0.000 1.173 293 M CB -1.181 31.027 32.600 -0.655 0.000 1.343 293 M HN 0.337 nan 8.290 nan 0.000 0.464 294 L N -0.059 120.916 121.223 -0.412 0.000 2.265 294 L HA -0.134 4.207 4.340 0.001 0.000 0.215 294 L C 2.307 179.133 176.870 -0.072 0.000 1.117 294 L CA 0.335 55.041 54.840 -0.223 0.000 0.782 294 L CB -0.582 41.352 42.059 -0.208 0.000 0.914 294 L HN 0.232 nan 8.230 nan 0.000 0.441 295 I N 0.005 120.521 120.570 -0.089 0.000 2.800 295 I HA -0.092 4.079 4.170 0.001 0.000 0.266 295 I C 0.996 177.100 176.117 -0.022 0.000 1.249 295 I CA 1.120 62.386 61.300 -0.057 0.000 1.458 295 I CB -0.718 37.235 38.000 -0.078 0.000 1.093 295 I HN 0.312 nan 8.210 nan 0.000 0.466 296 G N -0.600 108.213 108.800 0.022 0.000 2.570 296 G HA2 0.163 4.124 3.960 0.001 0.000 0.310 296 G HA3 0.163 4.124 3.960 0.001 0.000 0.310 296 G C -1.483 173.468 174.900 0.086 0.000 1.266 296 G CA -0.585 44.533 45.100 0.030 0.000 0.825 296 G HN 0.019 nan 8.290 nan 0.000 0.483 297 D N 1.375 121.763 120.400 -0.020 0.000 2.414 297 D HA 0.469 5.110 4.640 0.001 0.000 0.242 297 D C 0.298 176.509 176.300 -0.148 0.000 1.129 297 D CA 0.722 54.630 54.000 -0.153 0.000 0.885 297 D CB 0.474 41.166 40.800 -0.179 0.000 1.198 297 D HN 0.574 nan 8.370 nan 0.000 0.437 298 H N -0.961 117.949 119.070 -0.266 0.000 2.967 298 H HA 0.388 4.944 4.556 0.001 0.000 0.318 298 H C -1.409 173.763 175.328 -0.260 0.000 1.375 298 H CA -0.818 55.080 56.048 -0.250 0.000 1.132 298 H CB 0.229 29.980 29.762 -0.019 0.000 1.848 298 H HN 0.302 nan 8.280 nan 0.000 0.524 299 Y N 0.108 120.657 120.300 0.415 0.000 2.570 299 Y HA 0.413 4.964 4.550 0.001 0.000 0.345 299 Y C -0.250 175.970 175.900 0.535 0.000 1.014 299 Y CA -1.288 57.078 58.100 0.444 0.000 1.063 299 Y CB 1.696 40.258 38.460 0.170 0.000 1.272 299 Y HN 0.439 nan 8.280 nan 0.000 0.477 300 L N 2.799 124.408 121.223 0.643 0.000 2.260 300 L HA 0.349 4.690 4.340 0.001 0.000 0.289 300 L C 0.378 177.275 176.870 0.045 0.000 1.057 300 L CA -0.365 54.498 54.840 0.038 0.000 0.811 300 L CB 0.153 42.158 42.059 -0.090 0.000 1.184 300 L HN 1.002 nan 8.230 nan 0.000 0.429 301 C N 1.224 120.425 119.300 -0.166 0.000 3.097 301 C HA 0.471 4.932 4.460 0.001 0.000 0.335 301 C C 0.400 175.244 174.990 -0.242 0.000 1.283 301 C CA -0.407 58.452 59.018 -0.266 0.000 1.778 301 C CB -0.362 27.294 27.740 -0.139 0.000 2.365 301 C HN 0.824 nan 8.230 nan 0.000 0.627 302 D N 0.275 120.539 120.400 -0.226 0.000 2.859 302 D HA 0.528 5.168 4.640 0.001 0.000 0.223 302 D C -1.799 174.244 176.300 -0.428 0.000 1.218 302 D CA 0.108 54.002 54.000 -0.176 0.000 0.850 302 D CB 2.975 43.670 40.800 -0.174 0.000 1.656 302 D HN 0.089 nan 8.370 nan 0.000 0.484 303 V N 2.050 121.644 119.914 -0.533 0.000 2.623 303 V HA 0.588 4.709 4.120 0.001 0.000 0.304 303 V C -0.527 175.179 176.094 -0.646 0.000 1.054 303 V CA -0.460 61.315 62.300 -0.875 0.000 0.882 303 V CB 2.029 32.866 31.823 -1.643 0.000 1.002 303 V HN 0.656 nan 8.190 nan 0.000 0.424 304 T N 3.135 117.399 114.554 -0.483 0.000 3.237 304 T HA 0.341 4.692 4.350 0.001 0.000 0.319 304 T C -1.133 173.434 174.700 -0.221 0.000 1.037 304 T CA -0.513 61.468 62.100 -0.198 0.000 1.048 304 T CB 0.883 69.710 68.868 -0.068 0.000 1.081 304 T HN 0.516 nan 8.240 nan 0.000 0.455 305 W N 1.997 123.245 121.300 -0.086 0.000 2.238 305 W HA 0.536 5.196 4.660 0.001 0.000 0.321 305 W C 1.070 177.485 176.519 -0.174 0.000 1.293 305 W CA -0.420 56.864 57.345 -0.102 0.000 1.204 305 W CB 0.667 30.144 29.460 0.029 0.000 1.167 305 W HN 0.849 nan 8.180 nan 0.000 0.553 306 A N 1.780 124.497 122.820 -0.172 0.000 1.993 306 A HA 0.215 4.536 4.320 0.001 0.000 0.207 306 A C 0.841 178.402 177.584 -0.039 0.000 1.224 306 A CA 1.348 53.133 52.037 -0.420 0.000 0.749 306 A CB -0.275 17.852 19.000 -1.455 0.000 0.884 306 A HN 0.516 nan 8.150 nan 0.000 0.467 307 T N -5.455 109.157 114.554 0.096 0.000 2.696 307 T HA 0.353 4.703 4.350 0.001 0.000 0.291 307 T C 0.209 175.072 174.700 0.271 0.000 1.095 307 T CA -0.432 61.767 62.100 0.165 0.000 1.026 307 T CB 0.757 69.702 68.868 0.128 0.000 1.390 307 T HN -0.062 nan 8.240 nan 0.000 0.513 308 Q N 0.354 120.277 119.800 0.205 0.000 2.226 308 Q HA -0.009 4.332 4.340 0.001 0.000 0.204 308 Q C 0.817 177.043 176.000 0.376 0.000 0.975 308 Q CA 1.535 57.464 55.803 0.209 0.000 0.866 308 Q CB -0.130 28.704 28.738 0.160 0.000 0.915 308 Q HN 0.834 nan 8.270 nan 0.000 0.440 309 E N -0.244 120.178 120.200 0.370 0.000 2.876 309 E HA 0.205 4.556 4.350 0.001 0.000 0.208 309 E C -0.218 176.609 176.600 0.379 0.000 0.981 309 E CA -0.177 56.436 56.400 0.355 0.000 1.174 309 E CB 1.066 30.907 29.700 0.235 0.000 1.047 309 E HN -0.019 nan 8.360 nan 0.000 0.477 310 R N 1.559 122.314 120.500 0.424 0.000 2.574 310 R HA 0.562 4.903 4.340 0.001 0.000 0.288 310 R C -1.789 174.521 176.300 0.016 0.000 1.004 310 R CA -0.487 55.750 56.100 0.229 0.000 0.895 310 R CB 1.528 31.857 30.300 0.049 0.000 1.191 310 R HN 0.092 nan 8.270 nan 0.000 0.444 311 I N 2.691 123.088 120.570 -0.287 0.000 2.730 311 I HA 0.429 4.600 4.170 0.001 0.000 0.298 311 I C -1.114 174.677 176.117 -0.542 0.000 1.089 311 I CA -0.553 60.316 61.300 -0.719 0.000 1.041 311 I CB 2.382 39.515 38.000 -1.446 0.000 1.235 311 I HN 0.842 nan 8.210 nan 0.000 0.423 312 S N 7.691 123.069 115.700 -0.536 0.000 2.449 312 S HA 0.682 5.153 4.470 0.001 0.000 0.310 312 S C -1.038 173.252 174.600 -0.516 0.000 1.096 312 S CA -0.744 57.219 58.200 -0.396 0.000 1.095 312 S CB 1.196 64.289 63.200 -0.177 0.000 1.007 312 S HN 0.537 nan 8.310 nan 0.000 0.474 313 L N 2.941 123.850 121.223 -0.524 0.000 2.322 313 L HA 0.530 4.871 4.340 0.001 0.000 0.281 313 L C 0.015 176.566 176.870 -0.532 0.000 1.014 313 L CA -0.650 53.771 54.840 -0.699 0.000 0.815 313 L CB 1.752 43.272 42.059 -0.898 0.000 1.247 313 L HN 0.664 nan 8.230 nan 0.000 0.421 314 Q N 2.110 121.576 119.800 -0.558 0.000 2.307 314 Q HA 0.380 4.720 4.340 0.001 0.000 0.262 314 Q C -1.619 174.120 176.000 -0.435 0.000 0.961 314 Q CA -0.495 55.095 55.803 -0.356 0.000 0.882 314 Q CB 2.014 30.609 28.738 -0.237 0.000 1.264 314 Q HN 0.421 nan 8.270 nan 0.000 0.446 315 W N 2.666 123.910 121.300 -0.093 0.000 2.627 315 W HA 0.613 5.273 4.660 0.001 0.000 0.339 315 W C -0.676 175.862 176.519 0.032 0.000 1.058 315 W CA -0.545 56.792 57.345 -0.014 0.000 1.223 315 W CB 1.092 30.518 29.460 -0.057 0.000 1.389 315 W HN 0.316 nan 8.180 nan 0.000 0.541 316 L N 3.032 124.472 121.223 0.363 0.000 2.385 316 L HA 0.528 4.869 4.340 0.001 0.000 0.273 316 L C 0.326 177.378 176.870 0.303 0.000 0.990 316 L CA -1.124 53.891 54.840 0.291 0.000 0.821 316 L CB 1.485 43.723 42.059 0.297 0.000 1.279 316 L HN 0.468 nan 8.230 nan 0.000 0.412 317 R N 2.064 122.706 120.500 0.238 0.000 2.738 317 R HA 0.121 4.462 4.340 0.001 0.000 0.268 317 R C 1.042 177.399 176.300 0.095 0.000 1.062 317 R CA -0.179 56.015 56.100 0.156 0.000 1.158 317 R CB 0.730 31.118 30.300 0.147 0.000 1.046 317 R HN 0.629 nan 8.270 nan 0.000 0.493 318 R N 1.309 121.777 120.500 -0.053 0.000 2.096 318 R HA -0.050 4.291 4.340 0.001 0.000 0.235 318 R C 0.366 176.710 176.300 0.073 0.000 1.127 318 R CA 1.171 57.218 56.100 -0.088 0.000 0.968 318 R CB -0.053 30.147 30.300 -0.167 0.000 0.861 318 R HN 0.456 nan 8.270 nan 0.000 0.440 319 I N 2.473 123.075 120.570 0.053 0.000 2.329 319 I HA -0.007 4.163 4.170 0.001 0.000 0.295 319 I C 0.335 176.510 176.117 0.097 0.000 1.109 319 I CA 0.409 61.747 61.300 0.062 0.000 1.297 319 I CB 1.173 39.198 38.000 0.041 0.000 1.433 319 I HN 0.064 nan 8.210 nan 0.000 0.509 320 Q N 5.002 124.860 119.800 0.098 0.000 2.639 320 Q HA 0.026 4.367 4.340 0.001 0.000 0.301 320 Q C 0.605 176.685 176.000 0.134 0.000 1.029 320 Q CA -0.115 55.763 55.803 0.125 0.000 0.936 320 Q CB -0.283 28.500 28.738 0.075 0.000 1.354 320 Q HN 0.667 nan 8.270 nan 0.000 0.417 321 N N -0.824 117.954 118.700 0.129 0.000 2.184 321 N HA -0.055 4.686 4.740 0.001 0.000 0.206 321 N C -0.825 174.779 175.510 0.156 0.000 1.151 321 N CA -0.092 53.025 53.050 0.111 0.000 0.878 321 N CB 0.349 38.878 38.487 0.071 0.000 1.014 321 N HN 0.220 nan 8.380 nan 0.000 0.512 322 Y N 1.431 121.756 120.300 0.041 0.000 2.373 322 Y HA 0.587 5.138 4.550 0.001 0.000 0.336 322 Y C -0.947 174.985 175.900 0.053 0.000 0.979 322 Y CA -0.904 57.217 58.100 0.035 0.000 1.080 322 Y CB 1.603 40.075 38.460 0.021 0.000 1.190 322 Y HN 0.148 nan 8.280 nan 0.000 0.446 323 S N 4.341 119.867 115.700 -0.290 0.000 2.546 323 S HA 0.869 5.339 4.470 0.001 0.000 0.274 323 S C -2.087 172.374 174.600 -0.232 0.000 1.121 323 S CA -0.762 57.363 58.200 -0.125 0.000 0.887 323 S CB 1.631 64.815 63.200 -0.026 0.000 1.094 323 S HN 0.454 nan 8.310 nan 0.000 0.474 324 V N 3.220 123.101 119.914 -0.055 0.000 2.604 324 V HA 0.579 4.700 4.120 0.001 0.000 0.305 324 V C -0.387 175.717 176.094 0.016 0.000 1.043 324 V CA -0.694 61.584 62.300 -0.036 0.000 0.888 324 V CB 1.853 33.690 31.823 0.023 0.000 0.995 324 V HN 1.029 nan 8.190 nan 0.000 0.429 325 M N 3.590 123.172 119.600 -0.030 0.000 2.205 325 M HA 0.524 5.004 4.480 0.001 0.000 0.344 325 M C -1.392 174.896 176.300 -0.021 0.000 1.085 325 M CA -0.320 54.938 55.300 -0.069 0.000 1.001 325 M CB 1.134 33.636 32.600 -0.163 0.000 1.626 325 M HN 0.589 nan 8.290 nan 0.000 0.442 326 D N 5.036 125.417 120.400 -0.032 0.000 2.308 326 D HA 0.425 5.066 4.640 0.001 0.000 0.242 326 D C -1.096 175.154 176.300 -0.083 0.000 1.059 326 D CA -0.156 53.828 54.000 -0.027 0.000 0.830 326 D CB 1.490 42.301 40.800 0.018 0.000 1.161 326 D HN 0.488 nan 8.370 nan 0.000 0.494 327 I N 2.934 123.482 120.570 -0.037 0.000 2.304 327 I HA 0.212 4.382 4.170 0.001 0.000 0.291 327 I C -0.274 175.826 176.117 -0.029 0.000 1.018 327 I CA -0.272 60.999 61.300 -0.047 0.000 1.260 327 I CB 0.761 38.779 38.000 0.030 0.000 1.390 327 I HN 0.260 nan 8.210 nan 0.000 0.475 328 c N 4.260 122.832 118.600 -0.046 0.000 2.345 328 c HA 0.511 5.081 4.570 0.001 0.000 0.323 328 c C -0.043 174.182 174.090 0.225 0.000 1.276 328 c CA -0.884 55.488 56.329 0.071 0.000 1.543 328 c CB 0.463 43.001 42.510 0.046 0.000 2.211 328 c HN 0.667 nan 8.230 nan 0.000 0.493 329 D N 0.458 120.978 120.400 0.200 0.000 2.163 329 D HA 0.353 4.994 4.640 0.001 0.000 0.248 329 D C -0.648 175.607 176.300 -0.076 0.000 1.035 329 D CA -0.172 53.901 54.000 0.123 0.000 0.872 329 D CB 0.764 41.578 40.800 0.023 0.000 1.183 329 D HN 0.577 nan 8.370 nan 0.000 0.445 330 Y N 1.763 121.683 120.300 -0.633 0.000 2.425 330 Y HA 0.196 4.746 4.550 0.001 0.000 0.331 330 Y C -0.335 175.251 175.900 -0.524 0.000 1.157 330 Y CA -0.381 57.009 58.100 -1.184 0.000 1.372 330 Y CB 0.758 38.412 38.460 -1.344 0.000 1.253 330 Y HN 0.291 nan 8.280 nan 0.000 0.536 331 D N 4.517 124.267 120.400 -1.083 0.000 2.441 331 D HA 0.176 4.817 4.640 0.001 0.000 0.231 331 D C 0.436 176.148 176.300 -0.980 0.000 1.073 331 D CA -0.224 53.331 54.000 -0.742 0.000 0.850 331 D CB 0.881 41.422 40.800 -0.431 0.000 1.062 331 D HN 0.736 nan 8.370 nan 0.000 0.524 332 E N 1.280 121.105 120.200 -0.625 0.000 2.110 332 E HA -0.148 4.202 4.350 0.001 0.000 0.193 332 E C 1.275 177.751 176.600 -0.206 0.000 0.988 332 E CA 1.145 57.346 56.400 -0.332 0.000 0.804 332 E CB 0.161 29.826 29.700 -0.058 0.000 0.745 332 E HN 0.576 nan 8.360 nan 0.000 0.458 333 S N -0.569 115.020 115.700 -0.185 0.000 2.701 333 S HA 0.040 4.510 4.470 0.001 0.000 0.220 333 S C 1.397 175.934 174.600 -0.105 0.000 0.954 333 S CA 0.576 58.712 58.200 -0.107 0.000 0.936 333 S CB 0.358 63.510 63.200 -0.081 0.000 0.777 333 S HN 0.185 nan 8.310 nan 0.000 0.518 334 S N -0.928 114.679 115.700 -0.154 0.000 2.658 334 S HA 0.503 4.974 4.470 0.001 0.000 0.277 334 S C 1.411 175.964 174.600 -0.079 0.000 1.078 334 S CA 0.552 58.691 58.200 -0.102 0.000 1.124 334 S CB -0.215 62.925 63.200 -0.101 0.000 1.016 334 S HN 1.492 nan 8.310 nan 0.000 0.543 335 G N 1.799 110.488 108.800 -0.184 0.000 2.141 335 G HA2 -0.209 3.752 3.960 0.001 0.000 0.242 335 G HA3 -0.209 3.752 3.960 0.001 0.000 0.242 335 G C 0.054 174.978 174.900 0.039 0.000 0.982 335 G CA 0.182 45.271 45.100 -0.019 0.000 0.662 335 G HN 0.669 nan 8.290 nan 0.000 0.527 336 R N -1.772 118.634 120.500 -0.156 0.000 2.810 336 R HA 0.720 5.061 4.340 0.001 0.000 0.245 336 R C -0.741 175.444 176.300 -0.190 0.000 1.168 336 R CA -0.752 55.348 56.100 0.001 0.000 1.096 336 R CB 0.798 31.107 30.300 0.015 0.000 1.259 336 R HN 0.154 nan 8.270 nan 0.000 0.518 337 W N 0.100 121.413 121.300 0.023 0.000 2.702 337 W HA 0.396 5.057 4.660 0.001 0.000 0.331 337 W C -0.689 175.812 176.519 -0.030 0.000 1.049 337 W CA -0.524 56.826 57.345 0.009 0.000 1.230 337 W CB 1.389 30.863 29.460 0.023 0.000 1.408 337 W HN 0.229 nan 8.180 nan 0.000 0.492 338 N N 2.398 121.184 118.700 0.144 0.000 2.524 338 N HA 0.283 5.024 4.740 0.001 0.000 0.261 338 N C -1.451 174.092 175.510 0.056 0.000 0.998 338 N CA -0.464 52.621 53.050 0.059 0.000 0.915 338 N CB 1.102 39.583 38.487 -0.009 0.000 1.187 338 N HN 0.244 nan 8.380 nan 0.000 0.507 339 c N 3.207 121.830 118.600 0.037 0.000 2.192 339 c HA 0.316 4.886 4.570 0.001 0.000 0.337 339 c C 0.724 174.808 174.090 -0.011 0.000 1.103 339 c CA -1.173 55.162 56.329 0.009 0.000 1.581 339 c CB -1.374 41.129 42.510 -0.011 0.000 2.070 339 c HN 0.427 nan 8.230 nan 0.000 0.485 340 L N 2.711 123.929 121.223 -0.008 0.000 2.485 340 L HA 0.008 4.349 4.340 0.001 0.000 0.275 340 L C 1.611 178.462 176.870 -0.032 0.000 1.207 340 L CA 0.501 55.330 54.840 -0.019 0.000 0.855 340 L CB 0.044 42.095 42.059 -0.013 0.000 1.114 340 L HN 0.600 nan 8.230 nan 0.000 0.485 341 V N 4.131 124.022 119.914 -0.038 0.000 2.407 341 V HA -0.250 3.871 4.120 0.001 0.000 0.248 341 V C 2.175 178.233 176.094 -0.059 0.000 1.055 341 V CA 2.057 64.329 62.300 -0.048 0.000 1.049 341 V CB -0.041 31.756 31.823 -0.044 0.000 0.662 341 V HN 0.973 nan 8.190 nan 0.000 0.455 342 A N -0.357 122.431 122.820 -0.053 0.000 2.168 342 A HA -0.032 4.288 4.320 0.001 0.000 0.215 342 A C 2.042 179.568 177.584 -0.098 0.000 1.152 342 A CA 0.745 52.742 52.037 -0.066 0.000 0.716 342 A CB -0.282 18.692 19.000 -0.042 0.000 0.794 342 A HN 0.561 nan 8.150 nan 0.000 0.465 343 R N 0.138 120.591 120.500 -0.078 0.000 2.317 343 R HA 0.109 4.450 4.340 0.001 0.000 0.208 343 R C -0.150 176.067 176.300 -0.139 0.000 0.914 343 R CA -0.009 56.050 56.100 -0.067 0.000 1.060 343 R CB -0.042 30.271 30.300 0.021 0.000 1.015 343 R HN 0.634 nan 8.270 nan 0.000 0.498 344 Q N 1.240 120.942 119.800 -0.163 0.000 2.332 344 Q HA 0.101 4.442 4.340 0.001 0.000 0.263 344 Q C -0.413 175.406 176.000 -0.300 0.000 0.979 344 Q CA 0.509 56.228 55.803 -0.139 0.000 0.885 344 Q CB 0.869 29.554 28.738 -0.088 0.000 1.218 344 Q HN 0.172 nan 8.270 nan 0.000 0.405 345 H N 2.216 121.249 119.070 -0.063 0.000 2.495 345 H HA 0.428 4.985 4.556 0.001 0.000 0.348 345 H C -0.561 174.692 175.328 -0.124 0.000 1.113 345 H CA -0.578 55.419 56.048 -0.085 0.000 1.195 345 H CB 1.245 30.925 29.762 -0.137 0.000 1.521 345 H HN 0.465 nan 8.280 nan 0.000 0.509 346 I N 1.967 122.521 120.570 -0.026 0.000 2.377 346 I HA 0.160 4.330 4.170 0.001 0.000 0.293 346 I C 0.147 176.185 176.117 -0.132 0.000 0.987 346 I CA -0.240 60.964 61.300 -0.159 0.000 1.185 346 I CB 1.814 39.709 38.000 -0.174 0.000 1.341 346 I HN 0.499 nan 8.210 nan 0.000 0.455 347 E N 8.320 128.397 120.200 -0.204 0.000 2.218 347 E HA 0.612 4.962 4.350 0.001 0.000 0.263 347 E C -1.244 175.255 176.600 -0.168 0.000 0.879 347 E CA -0.711 55.617 56.400 -0.120 0.000 0.762 347 E CB 1.473 31.130 29.700 -0.072 0.000 1.166 347 E HN 0.654 nan 8.360 nan 0.000 0.415 348 M N 1.730 121.273 119.600 -0.095 0.000 2.716 348 M HA 0.647 5.128 4.480 0.001 0.000 0.278 348 M C -1.562 174.735 176.300 -0.005 0.000 1.281 348 M CA -0.804 54.467 55.300 -0.048 0.000 0.814 348 M CB 2.295 34.895 32.600 -0.000 0.000 1.719 348 M HN 0.322 nan 8.290 nan 0.000 0.457 349 S N -0.405 115.297 115.700 0.003 0.000 2.575 349 S HA 0.536 5.007 4.470 0.001 0.000 0.278 349 S C 0.092 174.671 174.600 -0.034 0.000 1.139 349 S CA -0.004 58.175 58.200 -0.034 0.000 0.954 349 S CB 1.738 64.874 63.200 -0.107 0.000 1.054 349 S HN 0.876 nan 8.310 nan 0.000 0.483 350 T N 0.504 115.039 114.554 -0.032 0.000 3.044 350 T HA 0.023 4.373 4.350 0.001 0.000 0.255 350 T C 1.819 176.481 174.700 -0.063 0.000 1.073 350 T CA 1.068 63.152 62.100 -0.028 0.000 1.125 350 T CB -0.560 68.304 68.868 -0.007 0.000 0.908 350 T HN 0.731 nan 8.240 nan 0.000 0.480 351 T N -1.232 113.264 114.554 -0.096 0.000 3.067 351 T HA 0.538 4.889 4.350 0.001 0.000 0.257 351 T C 1.122 175.611 174.700 -0.351 0.000 1.105 351 T CA 0.502 62.532 62.100 -0.117 0.000 1.104 351 T CB 0.040 68.910 68.868 0.004 0.000 0.925 351 T HN 0.630 nan 8.240 nan 0.000 0.498 352 G N 0.187 108.635 108.800 -0.586 0.000 2.512 352 G HA2 0.441 4.402 3.960 0.001 0.000 0.186 352 G HA3 0.441 4.402 3.960 0.001 0.000 0.186 352 G C -1.539 173.078 174.900 -0.472 0.000 1.189 352 G CA -0.549 44.035 45.100 -0.859 0.000 0.994 352 G HN 0.506 nan 8.290 nan 0.000 0.506 353 W N -0.377 120.662 121.300 -0.434 0.000 2.181 353 W HA 0.768 5.429 4.660 0.001 0.000 0.415 353 W C -0.119 176.359 176.519 -0.069 0.000 1.689 353 W CA -1.085 56.149 57.345 -0.186 0.000 1.859 353 W CB 0.741 30.087 29.460 -0.189 0.000 1.425 353 W HN 0.566 nan 8.180 nan 0.000 0.713 354 V N 2.694 122.713 119.914 0.175 0.000 2.384 354 V HA 0.792 4.913 4.120 0.001 0.000 0.287 354 V C 0.249 176.439 176.094 0.160 0.000 1.020 354 V CA 0.340 62.686 62.300 0.077 0.000 0.850 354 V CB 0.290 32.142 31.823 0.050 0.000 0.987 354 V HN 1.731 nan 8.190 nan 0.000 0.436 355 G N 6.343 115.190 108.800 0.079 0.000 2.756 355 G HA2 -0.178 3.782 3.960 0.001 0.000 0.678 355 G HA3 -0.178 3.782 3.960 0.001 0.000 0.678 355 G C 0.197 175.190 174.900 0.155 0.000 1.349 355 G CA 0.153 45.321 45.100 0.113 0.000 0.847 355 G HN 0.888 nan 8.290 nan 0.000 0.548 356 R N -0.846 119.721 120.500 0.111 0.000 2.062 356 R HA 0.135 4.476 4.340 0.001 0.000 0.231 356 R C 2.015 178.219 176.300 -0.160 0.000 1.136 356 R CA 2.228 58.314 56.100 -0.023 0.000 0.948 356 R CB -0.103 30.177 30.300 -0.033 0.000 0.845 356 R HN 0.475 nan 8.270 nan 0.000 0.430 357 F N -0.911 119.189 119.950 0.249 0.000 2.658 357 F HA 0.221 4.748 4.527 0.001 0.000 0.293 357 F C 0.801 176.638 175.800 0.061 0.000 0.986 357 F CA -0.386 57.701 58.000 0.145 0.000 1.182 357 F CB 0.496 39.577 39.000 0.136 0.000 0.965 357 F HN -0.159 nan 8.300 nan 0.000 0.659 358 R N 0.259 120.909 120.500 0.250 0.000 2.855 358 R HA 0.524 4.864 4.340 0.001 0.000 0.266 358 R C -3.271 173.103 176.300 0.124 0.000 1.034 358 R CA -2.112 54.062 56.100 0.123 0.000 0.944 358 R CB -0.273 30.045 30.300 0.029 0.000 1.219 358 R HN -0.259 nan 8.270 nan 0.000 0.474 359 P HA -0.073 nan 4.420 nan 0.000 0.266 359 P C -0.066 177.269 177.300 0.058 0.000 1.180 359 P CA 0.452 63.582 63.100 0.050 0.000 0.765 359 P CB 0.380 32.080 31.700 -0.000 0.000 0.806 360 S N 1.081 116.823 115.700 0.070 0.000 2.645 360 S HA 0.296 4.767 4.470 0.001 0.000 0.266 360 S C 0.042 174.676 174.600 0.056 0.000 1.258 360 S CA -0.714 57.545 58.200 0.099 0.000 0.990 360 S CB 0.538 63.820 63.200 0.137 0.000 0.967 360 S HN 0.518 nan 8.310 nan 0.000 0.556 361 E N 0.720 120.972 120.200 0.088 0.000 2.249 361 E HA 0.436 4.787 4.350 0.001 0.000 0.280 361 E C -2.853 173.762 176.600 0.025 0.000 1.016 361 E CA -2.494 53.915 56.400 0.015 0.000 0.830 361 E CB 0.430 30.139 29.700 0.015 0.000 1.081 361 E HN 0.395 nan 8.360 nan 0.000 0.395 362 P HA 0.163 nan 4.420 nan 0.000 0.274 362 P C -0.598 176.614 177.300 -0.147 0.000 1.246 362 P CA -0.138 62.837 63.100 -0.208 0.000 0.795 362 P CB 0.621 31.823 31.700 -0.829 0.000 1.006 363 H N 0.928 119.984 119.070 -0.023 0.000 2.953 363 H HA 0.275 4.832 4.556 0.001 0.000 0.290 363 H C -0.321 175.117 175.328 0.184 0.000 1.113 363 H CA -0.325 55.808 56.048 0.140 0.000 1.454 363 H CB 0.098 29.983 29.762 0.204 0.000 1.525 363 H HN 0.288 nan 8.280 nan 0.000 0.505 364 F N 1.797 121.926 119.950 0.298 0.000 2.410 364 F HA 0.062 4.590 4.527 0.001 0.000 0.334 364 F C 1.691 177.668 175.800 0.294 0.000 1.134 364 F CA -0.235 57.934 58.000 0.282 0.000 1.227 364 F CB 0.881 39.983 39.000 0.170 0.000 1.194 364 F HN 0.325 nan 8.300 nan 0.000 0.571 365 T N 0.246 115.085 114.554 0.474 0.000 2.828 365 T HA 0.171 4.522 4.350 0.001 0.000 0.290 365 T C 1.255 176.135 174.700 0.299 0.000 1.019 365 T CA -0.810 61.509 62.100 0.366 0.000 1.031 365 T CB 0.830 69.896 68.868 0.331 0.000 1.001 365 T HN 0.726 nan 8.240 nan 0.000 0.531 366 L N 0.784 122.144 121.223 0.228 0.000 2.013 366 L HA -0.184 4.156 4.340 0.001 0.000 0.212 366 L C 2.182 179.151 176.870 0.165 0.000 1.073 366 L CA 2.516 57.463 54.840 0.179 0.000 0.753 366 L CB -0.644 41.500 42.059 0.142 0.000 0.890 366 L HN 0.944 nan 8.230 nan 0.000 0.432 367 D N -0.921 119.577 120.400 0.162 0.000 2.371 367 D HA -0.015 4.626 4.640 0.001 0.000 0.221 367 D C 1.518 177.908 176.300 0.150 0.000 0.986 367 D CA 0.844 54.928 54.000 0.140 0.000 0.899 367 D CB -0.393 40.482 40.800 0.125 0.000 0.902 367 D HN 0.485 nan 8.370 nan 0.000 0.530 368 G N 0.492 109.411 108.800 0.199 0.000 2.168 368 G HA2 -0.361 3.600 3.960 0.001 0.000 0.263 368 G HA3 -0.361 3.600 3.960 0.001 0.000 0.263 368 G C 0.959 176.010 174.900 0.251 0.000 0.977 368 G CA 0.418 45.638 45.100 0.199 0.000 0.659 368 G HN 0.393 nan 8.290 nan 0.000 0.533 369 N N 0.086 118.925 118.700 0.231 0.000 2.422 369 N HA 0.143 4.884 4.740 0.001 0.000 0.181 369 N C 0.523 176.148 175.510 0.192 0.000 1.080 369 N CA 1.137 54.304 53.050 0.196 0.000 0.893 369 N CB 0.364 38.935 38.487 0.139 0.000 0.973 369 N HN 0.485 nan 8.380 nan 0.000 0.456 370 S N -0.097 115.734 115.700 0.219 0.000 2.588 370 S HA 0.686 5.157 4.470 0.001 0.000 0.275 370 S C -0.908 173.719 174.600 0.046 0.000 1.130 370 S CA -0.888 57.293 58.200 -0.032 0.000 0.855 370 S CB 1.901 65.011 63.200 -0.150 0.000 1.116 370 S HN 0.232 nan 8.310 nan 0.000 0.472 371 F N -0.942 118.721 119.950 -0.477 0.000 2.626 371 F HA 0.814 5.342 4.527 0.001 0.000 0.311 371 F C -1.877 173.645 175.800 -0.463 0.000 1.088 371 F CA -1.401 56.297 58.000 -0.504 0.000 0.949 371 F CB 0.728 39.102 39.000 -1.042 0.000 1.322 371 F HN 0.503 nan 8.300 nan 0.000 0.461 372 Y N 1.294 121.633 120.300 0.064 0.000 2.387 372 Y HA 0.673 5.224 4.550 0.001 0.000 0.336 372 Y C -0.381 175.647 175.900 0.213 0.000 1.067 372 Y CA -0.743 57.405 58.100 0.081 0.000 1.114 372 Y CB 2.033 40.544 38.460 0.087 0.000 1.208 372 Y HN 0.716 nan 8.280 nan 0.000 0.458 373 K N 0.783 121.381 120.400 0.330 0.000 2.575 373 K HA 0.616 4.937 4.320 0.001 0.000 0.279 373 K C -1.861 174.873 176.600 0.223 0.000 0.969 373 K CA -0.803 55.657 56.287 0.290 0.000 0.868 373 K CB 1.486 34.137 32.500 0.251 0.000 1.457 373 K HN 0.540 nan 8.250 nan 0.000 0.426 374 I N 3.224 123.908 120.570 0.189 0.000 2.416 374 I HA 0.323 4.494 4.170 0.001 0.000 0.288 374 I C 0.137 176.355 176.117 0.168 0.000 1.051 374 I CA -0.509 60.890 61.300 0.165 0.000 1.375 374 I CB 0.328 38.408 38.000 0.134 0.000 1.407 374 I HN 0.614 nan 8.210 nan 0.000 0.516 375 I N 2.763 123.464 120.570 0.218 0.000 2.769 375 I HA 0.519 4.690 4.170 0.001 0.000 0.298 375 I C -0.052 176.196 176.117 0.219 0.000 1.128 375 I CA -0.699 60.727 61.300 0.209 0.000 1.031 375 I CB 2.340 40.483 38.000 0.238 0.000 1.235 375 I HN 0.556 nan 8.210 nan 0.000 0.423 376 S N 3.315 119.075 115.700 0.100 0.000 2.549 376 S HA 0.270 4.741 4.470 0.001 0.000 0.279 376 S C -0.025 174.610 174.600 0.059 0.000 1.321 376 S CA -0.488 57.718 58.200 0.011 0.000 1.054 376 S CB 0.355 63.503 63.200 -0.087 0.000 0.899 376 S HN 0.845 nan 8.310 nan 0.000 0.497 377 N N 2.051 120.692 118.700 -0.098 0.000 2.431 377 N HA 0.159 4.900 4.740 0.001 0.000 0.289 377 N C 1.215 176.655 175.510 -0.115 0.000 1.277 377 N CA -0.351 52.545 53.050 -0.257 0.000 0.972 377 N CB -0.031 37.962 38.487 -0.823 0.000 1.143 377 N HN 0.740 nan 8.380 nan 0.000 0.578 378 E N -0.466 119.662 120.200 -0.120 0.000 2.130 378 E HA -0.279 4.072 4.350 0.001 0.000 0.196 378 E C 0.578 177.143 176.600 -0.058 0.000 0.998 378 E CA 1.472 57.834 56.400 -0.063 0.000 0.806 378 E CB -0.523 29.141 29.700 -0.059 0.000 0.738 378 E HN 0.762 nan 8.360 nan 0.000 0.459 379 E N 0.314 120.474 120.200 -0.066 0.000 2.511 379 E HA 0.034 4.385 4.350 0.001 0.000 0.196 379 E C 0.708 177.346 176.600 0.064 0.000 1.066 379 E CA 0.445 56.859 56.400 0.023 0.000 0.871 379 E CB -0.020 29.703 29.700 0.039 0.000 0.863 379 E HN 0.562 nan 8.360 nan 0.000 0.520 380 G N 0.929 109.700 108.800 -0.048 0.000 2.148 380 G HA2 -0.283 3.677 3.960 0.001 0.000 0.254 380 G HA3 -0.283 3.677 3.960 0.001 0.000 0.254 380 G C -0.305 174.395 174.900 -0.333 0.000 0.981 380 G CA 0.224 45.208 45.100 -0.194 0.000 0.670 380 G HN 0.208 nan 8.290 nan 0.000 0.528 381 Y N -0.222 119.958 120.300 -0.201 0.000 2.361 381 Y HA 0.683 5.234 4.550 0.002 0.000 0.332 381 Y C 1.071 176.821 175.900 -0.250 0.000 1.101 381 Y CA -1.019 56.942 58.100 -0.232 0.000 1.137 381 Y CB 1.080 39.401 38.460 -0.232 0.000 1.207 381 Y HN 0.092 nan 8.280 nan 0.000 0.463 382 R N 3.036 123.416 120.500 -0.201 0.000 2.265 382 R HA 0.347 4.688 4.340 0.001 0.000 0.314 382 R C -0.920 175.117 176.300 -0.439 0.000 1.053 382 R CA -0.126 55.856 56.100 -0.196 0.000 0.931 382 R CB 0.224 30.454 30.300 -0.116 0.000 1.024 382 R HN 0.666 nan 8.270 nan 0.000 0.457 383 H N 1.800 120.869 119.070 -0.001 0.000 3.008 383 H HA 0.295 4.852 4.556 0.001 0.000 0.354 383 H C -0.445 174.979 175.328 0.160 0.000 1.252 383 H CA -0.811 55.228 56.048 -0.014 0.000 1.117 383 H CB 1.498 31.141 29.762 -0.199 0.000 1.857 383 H HN 0.361 nan 8.280 nan 0.000 0.547 384 I N 1.558 122.257 120.570 0.214 0.000 2.379 384 I HA 0.039 4.210 4.170 0.001 0.000 0.290 384 I C 0.444 176.614 176.117 0.088 0.000 1.063 384 I CA 0.159 61.532 61.300 0.122 0.000 1.351 384 I CB 0.216 38.217 38.000 0.000 0.000 1.410 384 I HN 0.147 nan 8.210 nan 0.000 0.505 385 c N 7.153 125.709 118.600 -0.072 0.000 2.376 385 c HA 0.409 4.980 4.570 0.001 0.000 0.335 385 c C -0.350 173.464 174.090 -0.460 0.000 1.229 385 c CA -0.581 55.423 56.329 -0.542 0.000 1.867 385 c CB 0.874 42.760 42.510 -1.040 0.000 2.319 385 c HN 0.686 nan 8.230 nan 0.000 0.515 386 Y N 4.378 124.205 120.300 -0.789 0.000 2.335 386 Y HA 0.646 5.197 4.550 0.001 0.000 0.339 386 Y C -1.032 174.263 175.900 -1.008 0.000 0.987 386 Y CA -0.419 57.161 58.100 -0.867 0.000 1.140 386 Y CB 0.390 38.417 38.460 -0.721 0.000 1.173 386 Y HN 0.650 nan 8.280 nan 0.000 0.486 387 F N 3.858 122.818 119.950 -1.649 0.000 2.492 387 F HA 0.464 4.992 4.527 0.001 0.000 0.327 387 F C -0.310 174.691 175.800 -1.330 0.000 1.079 387 F CA -0.709 56.414 58.000 -1.462 0.000 0.967 387 F CB 1.900 39.623 39.000 -2.129 0.000 1.169 387 F HN 0.377 nan 8.300 nan 0.000 0.472 388 Q N 2.724 122.214 119.800 -0.517 0.000 2.307 388 Q HA 0.289 4.629 4.340 0.001 0.000 0.262 388 Q C 0.715 176.739 176.000 0.041 0.000 0.961 388 Q CA -0.675 54.984 55.803 -0.239 0.000 0.882 388 Q CB 2.407 31.077 28.738 -0.113 0.000 1.264 388 Q HN 0.649 nan 8.270 nan 0.000 0.446 389 I N 2.067 122.725 120.570 0.148 0.000 2.181 389 I HA -0.376 3.794 4.170 0.001 0.000 0.247 389 I C 1.271 177.531 176.117 0.238 0.000 1.081 389 I CA 1.877 63.365 61.300 0.312 0.000 1.340 389 I CB -0.030 38.115 38.000 0.243 0.000 1.036 389 I HN 0.676 nan 8.210 nan 0.000 0.417 390 D N -0.241 120.235 120.400 0.126 0.000 2.162 390 D HA -0.023 4.617 4.640 0.001 0.000 0.203 390 D C 0.969 177.296 176.300 0.045 0.000 0.967 390 D CA 0.812 54.852 54.000 0.065 0.000 0.840 390 D CB -0.073 40.754 40.800 0.044 0.000 0.972 390 D HN 0.149 nan 8.370 nan 0.000 0.482 391 K N 0.897 121.336 120.400 0.065 0.000 2.202 391 K HA 0.117 4.438 4.320 0.001 0.000 0.264 391 K C 0.973 177.624 176.600 0.086 0.000 1.010 391 K CA -0.126 56.187 56.287 0.044 0.000 0.940 391 K CB 1.427 33.933 32.500 0.009 0.000 0.983 391 K HN -0.079 nan 8.250 nan 0.000 0.475 392 K N 0.728 121.149 120.400 0.035 0.000 2.365 392 K HA -0.032 4.289 4.320 0.001 0.000 0.197 392 K C -0.424 176.238 176.600 0.105 0.000 1.042 392 K CA 0.927 57.238 56.287 0.041 0.000 0.987 392 K CB 0.441 32.941 32.500 0.000 0.000 0.779 392 K HN 0.440 nan 8.250 nan 0.000 0.484 393 D N 0.096 120.519 120.400 0.039 0.000 2.619 393 D HA 0.154 4.795 4.640 0.001 0.000 0.241 393 D C -0.685 175.472 176.300 -0.237 0.000 1.087 393 D CA -0.510 53.456 54.000 -0.057 0.000 0.851 393 D CB 1.776 42.538 40.800 -0.063 0.000 1.474 393 D HN 0.219 nan 8.370 nan 0.000 0.478 394 c N 0.056 118.334 118.600 -0.536 0.000 2.401 394 c HA 0.891 5.462 4.570 0.001 0.000 0.356 394 c C 0.560 174.278 174.090 -0.620 0.000 1.192 394 c CA -0.715 55.076 56.329 -0.898 0.000 2.028 394 c CB 0.923 42.194 42.510 -2.064 0.000 2.344 394 c HN 0.628 nan 8.230 nan 0.000 0.525 395 T N -0.044 114.206 114.554 -0.506 0.000 2.771 395 T HA 0.573 4.924 4.350 0.001 0.000 0.281 395 T C -0.773 173.661 174.700 -0.444 0.000 0.982 395 T CA -0.243 61.646 62.100 -0.351 0.000 0.978 395 T CB 0.176 68.927 68.868 -0.195 0.000 0.930 395 T HN 0.516 nan 8.240 nan 0.000 0.447 396 F N 3.772 123.535 119.950 -0.311 0.000 2.484 396 F HA 0.329 4.856 4.527 0.001 0.000 0.360 396 F C 1.513 177.047 175.800 -0.444 0.000 1.101 396 F CA -0.841 56.970 58.000 -0.314 0.000 1.251 396 F CB 0.744 39.591 39.000 -0.256 0.000 1.132 396 F HN 0.667 nan 8.300 nan 0.000 0.570 397 I N -0.884 119.539 120.570 -0.245 0.000 4.154 397 I HA 0.283 4.454 4.170 0.001 0.000 0.334 397 I C -0.000 176.019 176.117 -0.163 0.000 1.371 397 I CA -0.099 60.890 61.300 -0.517 0.000 1.110 397 I CB 0.054 37.681 38.000 -0.621 0.000 1.085 397 I HN 0.471 nan 8.210 nan 0.000 0.398 398 T N -0.176 114.301 114.554 -0.128 0.000 2.906 398 T HA 0.738 5.089 4.350 0.001 0.000 0.295 398 T C -0.720 173.533 174.700 -0.746 0.000 1.075 398 T CA -0.642 61.342 62.100 -0.194 0.000 1.005 398 T CB 2.836 71.706 68.868 0.003 0.000 1.136 398 T HN 0.460 nan 8.240 nan 0.000 0.498 399 K N -0.109 119.702 120.400 -0.981 0.000 2.578 399 K HA 0.836 5.157 4.320 0.001 0.000 0.287 399 K C -0.339 175.612 176.600 -1.082 0.000 1.010 399 K CA -0.940 54.513 56.287 -1.390 0.000 0.889 399 K CB 1.404 33.496 32.500 -0.680 0.000 1.514 399 K HN 1.569 nan 8.250 nan 0.000 0.424 400 G N -0.158 108.104 108.800 -0.897 0.000 2.353 400 G HA2 0.052 4.013 3.960 0.001 0.000 0.424 400 G HA3 0.052 4.013 3.960 0.001 0.000 0.424 400 G C -0.729 173.621 174.900 -0.916 0.000 1.320 400 G CA -0.373 44.300 45.100 -0.712 0.000 0.995 400 G HN 1.047 nan 8.290 nan 0.000 0.580 401 T N -0.504 113.651 114.554 -0.665 0.000 4.058 401 T HA 0.565 4.916 4.350 0.001 0.000 0.252 401 T C 0.196 174.867 174.700 -0.049 0.000 1.264 401 T CA 0.649 62.311 62.100 -0.731 0.000 1.094 401 T CB -0.989 67.625 68.868 -0.424 0.000 1.316 401 T HN 1.586 nan 8.240 nan 0.000 0.872 402 W N -0.322 120.963 121.300 -0.025 0.000 2.926 402 W HA 0.630 5.291 4.660 0.002 0.000 0.361 402 W C -1.490 175.051 176.519 0.037 0.000 1.195 402 W CA -0.969 56.417 57.345 0.068 0.000 1.177 402 W CB 0.559 30.033 29.460 0.023 0.000 1.453 402 W HN 0.207 nan 8.180 nan 0.000 0.571 403 E N 0.610 121.027 120.200 0.361 0.000 2.369 403 E HA 0.468 4.818 4.350 0.001 0.000 0.270 403 E C -1.261 175.508 176.600 0.281 0.000 0.909 403 E CA -1.199 55.216 56.400 0.024 0.000 0.775 403 E CB 3.339 33.068 29.700 0.048 0.000 1.270 403 E HN 0.160 nan 8.360 nan 0.000 0.445 404 V N 3.607 123.562 119.914 0.068 0.000 2.408 404 V HA 0.017 4.138 4.120 0.001 0.000 0.267 404 V C 1.195 177.411 176.094 0.203 0.000 1.047 404 V CA -0.118 62.322 62.300 0.233 0.000 0.937 404 V CB 0.531 32.416 31.823 0.104 0.000 0.999 404 V HN 0.677 nan 8.190 nan 0.000 0.472 405 I N 3.476 124.186 120.570 0.234 0.000 2.286 405 I HA 0.168 4.338 4.170 0.001 0.000 0.245 405 I C 1.174 177.416 176.117 0.208 0.000 1.104 405 I CA 1.216 62.636 61.300 0.201 0.000 1.397 405 I CB -0.916 37.140 38.000 0.093 0.000 1.072 405 I HN 0.744 nan 8.210 nan 0.000 0.417 406 G N 0.296 109.225 108.800 0.214 0.000 2.702 406 G HA2 0.522 4.483 3.960 0.001 0.000 0.296 406 G HA3 0.522 4.483 3.960 0.001 0.000 0.296 406 G C -1.216 173.794 174.900 0.185 0.000 1.463 406 G CA -0.587 44.632 45.100 0.198 0.000 0.890 406 G HN -0.032 nan 8.290 nan 0.000 0.534 407 I N 1.732 122.350 120.570 0.080 0.000 2.396 407 I HA 0.197 4.367 4.170 0.001 0.000 0.289 407 I C 0.872 176.972 176.117 -0.028 0.000 1.056 407 I CA -0.245 61.004 61.300 -0.086 0.000 1.365 407 I CB 1.406 39.079 38.000 -0.545 0.000 1.407 407 I HN 0.496 nan 8.210 nan 0.000 0.509 408 E N 5.250 125.484 120.200 0.056 0.000 2.413 408 E HA 0.359 4.710 4.350 0.001 0.000 0.203 408 E C 0.056 176.630 176.600 -0.043 0.000 0.957 408 E CA 0.117 56.590 56.400 0.122 0.000 0.950 408 E CB 0.978 30.823 29.700 0.242 0.000 0.957 408 E HN 0.661 nan 8.360 nan 0.000 0.497 409 A N 1.028 123.735 122.820 -0.189 0.000 2.565 409 A HA 0.483 4.803 4.320 0.001 0.000 0.298 409 A C -1.777 175.736 177.584 -0.119 0.000 1.062 409 A CA -0.634 51.194 52.037 -0.348 0.000 0.723 409 A CB 1.191 19.451 19.000 -1.234 0.000 1.282 409 A HN 0.068 nan 8.150 nan 0.000 0.400 410 L N 3.776 124.976 121.223 -0.038 0.000 2.372 410 L HA 0.696 5.037 4.340 0.001 0.000 0.273 410 L C 0.355 177.261 176.870 0.060 0.000 0.989 410 L CA 0.130 54.982 54.840 0.020 0.000 0.841 410 L CB 1.400 43.494 42.059 0.059 0.000 1.225 410 L HN 1.143 nan 8.230 nan 0.000 0.414 411 T N 0.572 115.183 114.554 0.095 0.000 2.898 411 T HA 0.304 4.654 4.350 0.001 0.000 0.283 411 T C 1.228 175.988 174.700 0.100 0.000 1.059 411 T CA 0.206 62.371 62.100 0.107 0.000 0.958 411 T CB 1.021 69.982 68.868 0.155 0.000 1.594 411 T HN 0.603 nan 8.240 nan 0.000 0.598 412 S N -0.796 114.959 115.700 0.092 0.000 2.486 412 S HA 0.086 4.557 4.470 0.001 0.000 0.220 412 S C 0.821 175.424 174.600 0.006 0.000 1.011 412 S CA 0.273 58.513 58.200 0.066 0.000 0.921 412 S CB -0.376 62.864 63.200 0.067 0.000 0.785 412 S HN 0.666 nan 8.310 nan 0.000 0.517 413 D N -0.275 120.122 120.400 -0.005 0.000 2.338 413 D HA 0.273 4.914 4.640 0.001 0.000 0.208 413 D C -0.625 175.366 176.300 -0.515 0.000 0.997 413 D CA 0.671 54.544 54.000 -0.212 0.000 0.880 413 D CB 0.201 40.927 40.800 -0.123 0.000 0.980 413 D HN 0.450 nan 8.370 nan 0.000 0.509 414 Y N -0.192 120.083 120.300 -0.042 0.000 2.504 414 Y HA 0.391 4.942 4.550 0.001 0.000 0.344 414 Y C -0.795 174.985 175.900 -0.200 0.000 1.023 414 Y CA -1.286 56.713 58.100 -0.168 0.000 1.020 414 Y CB 2.023 40.303 38.460 -0.299 0.000 1.282 414 Y HN -0.256 nan 8.280 nan 0.000 0.454 415 L N 3.734 124.879 121.223 -0.130 0.000 2.295 415 L HA 0.514 4.854 4.340 0.001 0.000 0.285 415 L C -1.721 175.042 176.870 -0.177 0.000 1.035 415 L CA -1.199 53.543 54.840 -0.163 0.000 0.806 415 L CB 0.166 42.046 42.059 -0.298 0.000 1.214 415 L HN 0.610 nan 8.230 nan 0.000 0.426 416 Y N 6.102 126.355 120.300 -0.080 0.000 2.331 416 Y HA 0.543 5.094 4.550 0.001 0.000 0.338 416 Y C -0.310 175.621 175.900 0.052 0.000 0.992 416 Y CA -0.412 57.649 58.100 -0.065 0.000 1.121 416 Y CB 1.392 39.702 38.460 -0.250 0.000 1.184 416 Y HN 0.608 nan 8.280 nan 0.000 0.469 417 Y N 0.983 121.347 120.300 0.107 0.000 2.615 417 Y HA 0.787 5.338 4.550 0.001 0.000 0.341 417 Y C -1.821 174.167 175.900 0.147 0.000 1.089 417 Y CA -1.712 56.449 58.100 0.102 0.000 1.049 417 Y CB 1.235 39.743 38.460 0.081 0.000 1.296 417 Y HN 0.279 nan 8.280 nan 0.000 0.470 418 I N 3.149 123.862 120.570 0.239 0.000 2.404 418 I HA 0.564 4.735 4.170 0.001 0.000 0.293 418 I C -0.273 176.002 176.117 0.264 0.000 0.992 418 I CA -0.224 61.153 61.300 0.128 0.000 1.149 418 I CB 1.556 39.603 38.000 0.079 0.000 1.315 418 I HN 0.905 nan 8.210 nan 0.000 0.446 419 S N 4.257 120.083 115.700 0.210 0.000 2.638 419 S HA 0.470 4.941 4.470 0.001 0.000 0.274 419 S C -0.376 174.279 174.600 0.091 0.000 1.157 419 S CA -0.797 57.538 58.200 0.224 0.000 0.826 419 S CB 1.943 65.294 63.200 0.252 0.000 1.139 419 S HN 0.571 nan 8.310 nan 0.000 0.474 420 N N -0.334 118.418 118.700 0.086 0.000 2.380 420 N HA 0.159 4.899 4.740 0.001 0.000 0.255 420 N C 0.468 175.956 175.510 -0.036 0.000 1.158 420 N CA -0.346 52.716 53.050 0.018 0.000 0.878 420 N CB 0.275 38.774 38.487 0.020 0.000 1.138 420 N HN 0.820 nan 8.380 nan 0.000 0.509 421 E N -0.041 119.996 120.200 -0.272 0.000 2.152 421 E HA -0.143 4.208 4.350 0.001 0.000 0.192 421 E C -0.417 176.040 176.600 -0.238 0.000 0.983 421 E CA 0.135 56.123 56.400 -0.687 0.000 0.818 421 E CB -0.004 28.769 29.700 -1.546 0.000 0.758 421 E HN 0.523 nan 8.360 nan 0.000 0.467 422 Y N 1.670 121.878 120.300 -0.154 0.000 2.632 422 Y HA -0.123 4.427 4.550 0.000 0.000 0.329 422 Y C 0.423 176.287 175.900 -0.060 0.000 1.174 422 Y CA 0.673 58.730 58.100 -0.072 0.000 1.469 422 Y CB 0.282 38.719 38.460 -0.040 0.000 1.242 422 Y HN 0.023 nan 8.280 nan 0.000 0.540 423 K N 3.469 123.552 120.400 -0.527 0.000 3.104 423 K HA -0.262 4.059 4.320 0.001 0.000 0.285 423 K C 0.729 177.254 176.600 -0.124 0.000 1.136 423 K CA 0.810 56.867 56.287 -0.384 0.000 0.842 423 K CB -1.784 30.445 32.500 -0.452 0.000 1.217 423 K HN 1.222 nan 8.250 nan 0.000 0.467 424 G N 0.895 109.644 108.800 -0.085 0.000 2.323 424 G HA2 -0.317 3.644 3.960 0.001 0.000 0.292 424 G HA3 -0.317 3.644 3.960 0.001 0.000 0.292 424 G C -0.029 174.855 174.900 -0.028 0.000 1.040 424 G CA 0.810 45.910 45.100 0.000 0.000 0.942 424 G HN 0.327 nan 8.290 nan 0.000 0.506 425 M N -0.143 119.371 119.600 -0.143 0.000 2.080 425 M HA 0.243 4.723 4.480 0.001 0.000 0.350 425 M C -1.465 174.598 176.300 -0.394 0.000 1.143 425 M CA -2.013 53.042 55.300 -0.407 0.000 1.064 425 M CB 1.756 34.199 32.600 -0.261 0.000 1.429 425 M HN -0.128 nan 8.290 nan 0.000 0.418 426 P HA -0.063 nan 4.420 nan 0.000 0.225 426 P C 1.179 178.350 177.300 -0.215 0.000 1.148 426 P CA 0.917 63.853 63.100 -0.273 0.000 0.779 426 P CB 0.205 31.743 31.700 -0.270 0.000 0.780 427 G N -1.063 107.546 108.800 -0.318 0.000 3.233 427 G HA2 0.292 4.253 3.960 0.001 0.000 0.227 427 G HA3 0.292 4.253 3.960 0.001 0.000 0.227 427 G C 0.588 175.488 174.900 0.002 0.000 1.175 427 G CA 0.016 45.049 45.100 -0.112 0.000 0.781 427 G HN 0.369 nan 8.290 nan 0.000 0.542 428 G N -0.147 108.601 108.800 -0.087 0.000 2.441 428 G HA2 0.643 4.604 3.960 0.001 0.000 0.334 428 G HA3 0.643 4.604 3.960 0.001 0.000 0.334 428 G C -0.828 173.934 174.900 -0.230 0.000 1.161 428 G CA -0.747 44.309 45.100 -0.072 0.000 0.935 428 G HN 0.065 nan 8.290 nan 0.000 0.488 429 R N 0.483 120.769 120.500 -0.357 0.000 2.628 429 R HA 0.458 4.799 4.340 0.001 0.000 0.288 429 R C -1.146 175.061 176.300 -0.154 0.000 0.980 429 R CA -0.834 55.045 56.100 -0.369 0.000 0.891 429 R CB 2.072 31.922 30.300 -0.749 0.000 1.188 429 R HN 0.703 nan 8.270 nan 0.000 0.450 430 N N 0.217 118.831 118.700 -0.143 0.000 2.494 430 N HA 0.394 5.135 4.740 0.001 0.000 0.270 430 N C -1.630 173.625 175.510 -0.424 0.000 1.285 430 N CA -0.779 52.082 53.050 -0.315 0.000 0.812 430 N CB 1.903 40.102 38.487 -0.480 0.000 1.557 430 N HN 0.198 nan 8.380 nan 0.000 0.487 431 L N 2.109 122.952 121.223 -0.633 0.000 2.275 431 L HA 0.518 4.858 4.340 0.001 0.000 0.288 431 L C -1.593 174.777 176.870 -0.833 0.000 1.046 431 L CA -0.128 54.379 54.840 -0.556 0.000 0.805 431 L CB -0.094 41.681 42.059 -0.472 0.000 1.193 431 L HN 0.500 nan 8.230 nan 0.000 0.426 432 Y N 3.473 123.413 120.300 -0.601 0.000 2.524 432 Y HA 0.585 5.135 4.550 0.001 0.000 0.344 432 Y C -0.358 175.241 175.900 -0.502 0.000 1.012 432 Y CA -0.760 56.949 58.100 -0.651 0.000 1.068 432 Y CB 1.731 39.524 38.460 -1.110 0.000 1.249 432 Y HN 0.532 nan 8.280 nan 0.000 0.468 433 K N 2.295 122.566 120.400 -0.214 0.000 2.397 433 K HA 0.747 5.068 4.320 0.001 0.000 0.253 433 K C -1.666 174.910 176.600 -0.041 0.000 0.932 433 K CA -0.543 55.539 56.287 -0.341 0.000 0.795 433 K CB 1.816 33.905 32.500 -0.685 0.000 1.159 433 K HN 0.618 nan 8.250 nan 0.000 0.424 434 I N 2.661 123.244 120.570 0.021 0.000 2.336 434 I HA 0.116 4.287 4.170 0.001 0.000 0.292 434 I C 0.005 176.160 176.117 0.062 0.000 0.991 434 I CA -0.806 60.556 61.300 0.102 0.000 1.227 434 I CB 1.826 39.887 38.000 0.102 0.000 1.366 434 I HN 0.683 nan 8.210 nan 0.000 0.466 435 Q N 4.968 124.792 119.800 0.040 0.000 2.324 435 Q HA 0.086 4.426 4.340 0.001 0.000 0.257 435 Q C 0.560 176.467 176.000 -0.156 0.000 1.080 435 Q CA -0.523 55.181 55.803 -0.166 0.000 0.907 435 Q CB 0.802 29.485 28.738 -0.092 0.000 1.274 435 Q HN 0.597 nan 8.270 nan 0.000 0.434 436 L N 2.945 124.023 121.223 -0.243 0.000 2.187 436 L HA -0.205 4.135 4.340 0.001 0.000 0.213 436 L C 2.279 179.089 176.870 -0.101 0.000 1.100 436 L CA 1.970 56.731 54.840 -0.132 0.000 0.765 436 L CB -0.941 41.039 42.059 -0.132 0.000 0.904 436 L HN 0.735 nan 8.230 nan 0.000 0.437 437 S N -2.378 113.234 115.700 -0.146 0.000 2.489 437 S HA -0.024 4.446 4.470 0.001 0.000 0.228 437 S C 0.588 175.131 174.600 -0.095 0.000 0.995 437 S CA 0.450 58.585 58.200 -0.108 0.000 0.934 437 S CB -0.008 63.120 63.200 -0.119 0.000 0.771 437 S HN 0.430 nan 8.310 nan 0.000 0.522 438 D N 0.243 120.584 120.400 -0.098 0.000 2.362 438 D HA 0.144 4.785 4.640 0.001 0.000 0.232 438 D C 0.169 176.391 176.300 -0.130 0.000 1.329 438 D CA -0.719 53.192 54.000 -0.147 0.000 0.944 438 D CB -0.013 40.702 40.800 -0.142 0.000 1.471 438 D HN 0.225 nan 8.370 nan 0.000 0.533 439 Y N 1.204 121.464 120.300 -0.065 0.000 2.497 439 Y HA -0.054 4.497 4.550 0.001 0.000 0.292 439 Y C 1.945 177.835 175.900 -0.018 0.000 1.137 439 Y CA 1.304 59.377 58.100 -0.046 0.000 1.285 439 Y CB -0.830 37.600 38.460 -0.049 0.000 0.991 439 Y HN 0.223 nan 8.280 nan 0.000 0.556 440 T N -2.659 111.747 114.554 -0.247 0.000 2.962 440 T HA -0.061 4.290 4.350 0.001 0.000 0.270 440 T C 0.811 175.496 174.700 -0.026 0.000 1.088 440 T CA 0.510 62.542 62.100 -0.113 0.000 1.127 440 T CB -0.213 68.532 68.868 -0.205 0.000 0.883 440 T HN 0.040 nan 8.240 nan 0.000 0.493 441 K N 2.636 123.018 120.400 -0.030 0.000 2.171 441 K HA 0.441 4.762 4.320 0.001 0.000 0.274 441 K C -0.825 175.810 176.600 0.059 0.000 1.110 441 K CA -0.117 56.176 56.287 0.009 0.000 0.952 441 K CB 0.552 33.049 32.500 -0.005 0.000 1.309 441 K HN 0.228 nan 8.250 nan 0.000 0.414 442 V N 2.188 122.149 119.914 0.077 0.000 2.581 442 V HA 0.433 4.554 4.120 0.001 0.000 0.303 442 V C 0.234 176.385 176.094 0.095 0.000 1.041 442 V CA -0.736 61.633 62.300 0.116 0.000 0.907 442 V CB 2.144 34.057 31.823 0.149 0.000 0.994 442 V HN 0.576 nan 8.190 nan 0.000 0.442 443 T N 1.926 116.526 114.554 0.077 0.000 2.863 443 T HA 0.303 4.653 4.350 0.001 0.000 0.285 443 T C -0.702 173.980 174.700 -0.030 0.000 1.009 443 T CA -0.338 61.770 62.100 0.015 0.000 0.989 443 T CB 1.584 70.424 68.868 -0.047 0.000 1.004 443 T HN 0.772 nan 8.240 nan 0.000 0.455 444 C N 4.405 123.627 119.300 -0.131 0.000 2.303 444 C HA 0.457 4.918 4.460 0.001 0.000 0.341 444 C C 1.784 176.504 174.990 -0.450 0.000 1.244 444 C CA -0.593 58.124 59.018 -0.502 0.000 1.765 444 C CB -1.924 25.474 27.740 -0.570 0.000 2.379 444 C HN 0.965 nan 8.230 nan 0.000 0.530 445 L N 4.254 125.167 121.223 -0.516 0.000 2.162 445 L HA 0.022 4.363 4.340 0.001 0.000 0.205 445 L C 2.399 178.977 176.870 -0.486 0.000 1.086 445 L CA 1.439 56.041 54.840 -0.397 0.000 0.778 445 L CB -0.346 41.501 42.059 -0.354 0.000 0.928 445 L HN 0.853 nan 8.230 nan 0.000 0.446 446 S N -2.609 112.672 115.700 -0.698 0.000 2.506 446 S HA -0.027 4.443 4.470 0.001 0.000 0.219 446 S C 1.994 176.155 174.600 -0.732 0.000 1.031 446 S CA -0.048 57.611 58.200 -0.902 0.000 0.911 446 S CB -0.455 61.823 63.200 -1.537 0.000 0.812 446 S HN 0.312 nan 8.310 nan 0.000 0.497 447 C N 2.603 121.472 119.300 -0.718 0.000 2.376 447 C HA -0.057 4.404 4.460 0.001 0.000 0.275 447 C C 2.522 177.186 174.990 -0.543 0.000 1.200 447 C CA 1.147 59.668 59.018 -0.828 0.000 1.756 447 C CB -0.911 26.195 27.740 -1.057 0.000 2.050 447 C HN 0.597 nan 8.230 nan 0.000 0.460 448 E N 0.225 120.212 120.200 -0.355 0.000 2.474 448 E HA 0.156 4.506 4.350 0.001 0.000 0.195 448 E C 1.950 178.488 176.600 -0.102 0.000 1.039 448 E CA 0.027 56.324 56.400 -0.172 0.000 0.881 448 E CB -0.203 29.427 29.700 -0.116 0.000 0.970 448 E HN 0.663 nan 8.360 nan 0.000 0.486 449 L N 0.396 121.548 121.223 -0.119 0.000 2.017 449 L HA -0.074 4.266 4.340 0.001 0.000 0.208 449 L C 1.123 177.999 176.870 0.010 0.000 1.073 449 L CA 0.978 55.792 54.840 -0.043 0.000 0.745 449 L CB -0.045 41.992 42.059 -0.037 0.000 0.894 449 L HN 0.015 nan 8.230 nan 0.000 0.432 450 N N -1.425 117.298 118.700 0.039 0.000 2.732 450 N HA 0.125 4.865 4.740 0.001 0.000 0.235 450 N C -2.081 173.448 175.510 0.031 0.000 1.466 450 N CA -0.823 52.244 53.050 0.029 0.000 0.751 450 N CB 1.143 39.645 38.487 0.025 0.000 1.317 450 N HN -0.150 nan 8.380 nan 0.000 0.525 451 P HA -0.169 nan 4.420 nan 0.000 0.215 451 P C 0.928 178.263 177.300 0.058 0.000 1.157 451 P CA 1.393 64.532 63.100 0.065 0.000 0.874 451 P CB 0.768 32.517 31.700 0.082 0.000 0.790 452 E N -0.619 119.597 120.200 0.027 0.000 2.028 452 E HA -0.178 4.173 4.350 0.001 0.000 0.191 452 E C 2.370 178.960 176.600 -0.017 0.000 0.988 452 E CA 0.919 57.324 56.400 0.009 0.000 0.799 452 E CB -0.241 29.456 29.700 -0.006 0.000 0.755 452 E HN 0.071 nan 8.360 nan 0.000 0.447 453 R N 0.010 120.488 120.500 -0.036 0.000 2.093 453 R HA 0.020 4.361 4.340 0.001 0.000 0.224 453 R C -0.074 176.167 176.300 -0.099 0.000 1.101 453 R CA 0.897 56.950 56.100 -0.078 0.000 0.979 453 R CB 0.146 30.395 30.300 -0.084 0.000 0.877 453 R HN 0.053 nan 8.270 nan 0.000 0.441 454 c N 0.839 119.392 118.600 -0.079 0.000 2.344 454 c HA 0.432 5.003 4.570 0.001 0.000 0.326 454 c C -0.467 173.585 174.090 -0.064 0.000 1.201 454 c CA -0.625 55.599 56.329 -0.176 0.000 1.410 454 c CB 1.281 43.654 42.510 -0.228 0.000 2.070 454 c HN 0.598 nan 8.230 nan 0.000 0.445 455 Q N 0.706 120.467 119.800 -0.065 0.000 2.064 455 Q HA 0.242 4.583 4.340 0.001 0.000 0.213 455 Q C -0.939 175.090 176.000 0.047 0.000 0.779 455 Q CA 0.055 55.889 55.803 0.053 0.000 1.032 455 Q CB 1.170 29.969 28.738 0.102 0.000 1.203 455 Q HN 0.783 nan 8.270 nan 0.000 0.457 456 Y N 0.259 120.437 120.300 -0.203 0.000 2.326 456 Y HA 0.493 5.044 4.550 0.001 0.000 0.329 456 Y C -1.517 174.199 175.900 -0.307 0.000 0.973 456 Y CA -1.056 56.949 58.100 -0.158 0.000 1.162 456 Y CB 1.040 39.424 38.460 -0.126 0.000 1.147 456 Y HN -0.069 nan 8.280 nan 0.000 0.456 457 Y N 2.196 122.407 120.300 -0.148 0.000 2.524 457 Y HA 0.644 5.194 4.550 0.001 0.000 0.347 457 Y C -0.392 175.446 175.900 -0.103 0.000 1.005 457 Y CA -0.706 57.326 58.100 -0.113 0.000 1.025 457 Y CB 2.504 40.855 38.460 -0.182 0.000 1.275 457 Y HN 0.533 nan 8.280 nan 0.000 0.460 458 S N 0.898 116.687 115.700 0.150 0.000 2.588 458 S HA 0.853 5.324 4.470 0.001 0.000 0.275 458 S C -1.974 172.686 174.600 0.100 0.000 1.130 458 S CA -0.792 57.472 58.200 0.106 0.000 0.855 458 S CB 1.775 65.050 63.200 0.125 0.000 1.116 458 S HN 0.587 nan 8.310 nan 0.000 0.472 459 V N 0.691 120.656 119.914 0.085 0.000 3.001 459 V HA 0.897 5.018 4.120 0.001 0.000 0.314 459 V C -0.921 175.232 176.094 0.099 0.000 1.099 459 V CA -0.320 61.998 62.300 0.029 0.000 0.989 459 V CB 2.312 34.062 31.823 -0.121 0.000 1.040 459 V HN 1.192 nan 8.190 nan 0.000 0.434 460 S N 4.450 120.197 115.700 0.078 0.000 2.779 460 S HA 0.651 5.121 4.470 0.001 0.000 0.293 460 S C -1.251 173.457 174.600 0.181 0.000 1.150 460 S CA -0.402 57.941 58.200 0.238 0.000 1.057 460 S CB 0.532 63.936 63.200 0.339 0.000 1.021 460 S HN 0.469 nan 8.310 nan 0.000 0.485 461 F N 3.223 123.236 119.950 0.106 0.000 2.379 461 F HA 0.451 4.979 4.527 0.001 0.000 0.332 461 F C 1.405 176.821 175.800 -0.640 0.000 1.096 461 F CA -0.211 57.691 58.000 -0.163 0.000 1.105 461 F CB 1.563 40.450 39.000 -0.189 0.000 1.189 461 F HN 0.677 nan 8.300 nan 0.000 0.515 462 S N 2.004 117.151 115.700 -0.921 0.000 2.598 462 S HA 0.074 4.545 4.470 0.001 0.000 0.256 462 S C 1.284 175.655 174.600 -0.381 0.000 1.350 462 S CA -0.529 56.908 58.200 -1.272 0.000 0.984 462 S CB 0.620 63.141 63.200 -1.132 0.000 0.930 462 S HN 0.798 nan 8.310 nan 0.000 0.577 463 K N 0.005 120.296 120.400 -0.181 0.000 2.152 463 K HA -0.090 4.231 4.320 0.001 0.000 0.206 463 K C 0.997 177.591 176.600 -0.010 0.000 1.048 463 K CA 1.691 57.974 56.287 -0.007 0.000 0.933 463 K CB -0.131 32.412 32.500 0.072 0.000 0.721 463 K HN 0.697 nan 8.250 nan 0.000 0.447 464 E N -1.355 118.818 120.200 -0.045 0.000 2.624 464 E HA 0.251 4.601 4.350 0.001 0.000 0.210 464 E C -0.640 175.919 176.600 -0.070 0.000 0.997 464 E CA 0.411 56.792 56.400 -0.032 0.000 0.999 464 E CB 1.195 30.892 29.700 -0.006 0.000 1.040 464 E HN 0.317 nan 8.360 nan 0.000 0.469 465 A N 0.807 123.573 122.820 -0.091 0.000 2.869 465 A HA -0.324 3.997 4.320 0.001 0.000 0.280 465 A C 1.407 178.964 177.584 -0.045 0.000 1.458 465 A CA 1.441 53.449 52.037 -0.048 0.000 0.776 465 A CB -1.943 16.865 19.000 -0.321 0.000 1.028 465 A HN 0.279 nan 8.150 nan 0.000 0.547 466 K N -1.822 118.487 120.400 -0.151 0.000 2.314 466 K HA 0.210 4.530 4.320 0.001 0.000 0.198 466 K C 0.068 176.345 176.600 -0.539 0.000 1.045 466 K CA 1.031 57.116 56.287 -0.336 0.000 0.988 466 K CB 0.104 32.329 32.500 -0.458 0.000 0.783 466 K HN 0.686 nan 8.250 nan 0.000 0.484 467 Y N -0.826 119.403 120.300 -0.118 0.000 2.605 467 Y HA 0.320 4.871 4.550 0.001 0.000 0.343 467 Y C -0.939 174.900 175.900 -0.100 0.000 1.036 467 Y CA -1.350 56.688 58.100 -0.103 0.000 1.065 467 Y CB 1.738 40.162 38.460 -0.061 0.000 1.288 467 Y HN -0.061 nan 8.280 nan 0.000 0.481 468 Y N -1.125 119.186 120.300 0.018 0.000 2.552 468 Y HA 0.470 5.021 4.550 0.001 0.000 0.337 468 Y C -1.329 174.624 175.900 0.088 0.000 1.094 468 Y CA -1.443 56.525 58.100 -0.221 0.000 1.028 468 Y CB 1.398 39.243 38.460 -1.025 0.000 1.321 468 Y HN 0.566 nan 8.280 nan 0.000 0.456 469 Q N 2.986 122.942 119.800 0.259 0.000 2.257 469 Q HA 0.493 4.834 4.340 0.001 0.000 0.255 469 Q C -1.996 174.123 176.000 0.198 0.000 0.920 469 Q CA -0.924 54.993 55.803 0.190 0.000 0.927 469 Q CB 1.539 30.348 28.738 0.119 0.000 1.229 469 Q HN 0.878 nan 8.270 nan 0.000 0.433 470 L N 4.479 125.841 121.223 0.232 0.000 2.296 470 L HA 0.460 4.800 4.340 0.001 0.000 0.286 470 L C -0.506 176.440 176.870 0.126 0.000 1.023 470 L CA 0.005 54.964 54.840 0.198 0.000 0.812 470 L CB 1.473 43.656 42.059 0.207 0.000 1.223 470 L HN 0.600 nan 8.230 nan 0.000 0.421 471 R N 3.833 124.373 120.500 0.066 0.000 2.387 471 R HA 0.591 4.932 4.340 0.001 0.000 0.314 471 R C -1.408 174.768 176.300 -0.206 0.000 0.958 471 R CA -0.451 55.529 56.100 -0.200 0.000 0.846 471 R CB 1.214 31.430 30.300 -0.139 0.000 1.147 471 R HN 0.729 nan 8.270 nan 0.000 0.447 472 c N 3.647 121.985 118.600 -0.437 0.000 2.322 472 c HA 0.485 5.056 4.570 0.001 0.000 0.324 472 c C 0.391 174.267 174.090 -0.357 0.000 1.249 472 c CA -0.416 55.580 56.329 -0.555 0.000 1.453 472 c CB 1.143 43.232 42.510 -0.702 0.000 2.145 472 c HN 0.983 nan 8.230 nan 0.000 0.466 473 S N 3.272 118.852 115.700 -0.201 0.000 2.557 473 S HA 0.575 5.046 4.470 0.001 0.000 0.223 473 S C 0.592 175.158 174.600 -0.058 0.000 0.969 473 S CA 0.405 58.542 58.200 -0.106 0.000 0.927 473 S CB 0.263 63.408 63.200 -0.093 0.000 0.806 473 S HN 1.474 nan 8.310 nan 0.000 0.489 474 G N 1.567 110.320 108.800 -0.078 0.000 2.337 474 G HA2 0.258 4.219 3.960 0.001 0.000 0.298 474 G HA3 0.258 4.219 3.960 0.001 0.000 0.298 474 G C -3.135 171.736 174.900 -0.049 0.000 1.335 474 G CA -0.749 44.336 45.100 -0.026 0.000 0.875 474 G HN -0.129 nan 8.290 nan 0.000 0.579 475 P HA 0.161 nan 4.420 nan 0.000 0.224 475 P C 1.502 178.763 177.300 -0.064 0.000 1.157 475 P CA 1.483 64.590 63.100 0.012 0.000 0.799 475 P CB 0.191 31.898 31.700 0.012 0.000 0.809 476 G N -0.067 108.632 108.800 -0.168 0.000 2.489 476 G HA2 0.301 4.262 3.960 0.001 0.000 0.271 476 G HA3 0.301 4.262 3.960 0.001 0.000 0.271 476 G C -0.403 174.196 174.900 -0.501 0.000 1.427 476 G CA -0.642 44.257 45.100 -0.335 0.000 1.057 476 G HN 0.044 nan 8.290 nan 0.000 0.532 477 L N 1.449 122.362 121.223 -0.517 0.000 2.485 477 L HA 0.144 4.484 4.340 0.001 0.000 0.275 477 L C -1.745 175.008 176.870 -0.194 0.000 1.207 477 L CA -1.206 53.376 54.840 -0.429 0.000 0.855 477 L CB 0.668 42.563 42.059 -0.273 0.000 1.114 477 L HN 0.254 nan 8.230 nan 0.000 0.485 478 P HA 0.088 nan 4.420 nan 0.000 0.268 478 P C -1.033 176.230 177.300 -0.062 0.000 1.208 478 P CA -0.151 62.910 63.100 -0.065 0.000 0.777 478 P CB 0.625 32.360 31.700 0.058 0.000 0.875 479 L N 3.500 124.604 121.223 -0.197 0.000 2.470 479 L HA 0.461 4.802 4.340 0.001 0.000 0.268 479 L C -1.911 174.832 176.870 -0.212 0.000 0.964 479 L CA -0.661 54.114 54.840 -0.107 0.000 0.839 479 L CB 1.039 43.035 42.059 -0.105 0.000 1.276 479 L HN 0.250 nan 8.230 nan 0.000 0.403 480 Y N 2.945 123.203 120.300 -0.069 0.000 2.335 480 Y HA 0.738 5.289 4.550 0.001 0.000 0.338 480 Y C 0.436 176.240 175.900 -0.160 0.000 0.977 480 Y CA -0.393 57.654 58.100 -0.089 0.000 1.114 480 Y CB 2.176 40.566 38.460 -0.116 0.000 1.182 480 Y HN 0.680 nan 8.280 nan 0.000 0.463 481 T N 1.603 116.167 114.554 0.017 0.000 2.903 481 T HA 0.672 5.023 4.350 0.001 0.000 0.299 481 T C -1.334 173.264 174.700 -0.170 0.000 1.093 481 T CA -0.926 61.111 62.100 -0.104 0.000 1.002 481 T CB 1.792 70.662 68.868 0.003 0.000 1.127 481 T HN 0.556 nan 8.240 nan 0.000 0.488 482 L N 1.875 122.837 121.223 -0.435 0.000 2.346 482 L HA 0.619 4.960 4.340 0.001 0.000 0.274 482 L C -0.811 175.639 176.870 -0.701 0.000 1.007 482 L CA -0.832 53.790 54.840 -0.364 0.000 0.818 482 L CB 1.488 43.407 42.059 -0.233 0.000 1.284 482 L HN 0.836 nan 8.230 nan 0.000 0.424 483 H N 1.242 120.133 119.070 -0.299 0.000 2.930 483 H HA 0.268 4.824 4.556 0.001 0.000 0.371 483 H C -0.797 174.338 175.328 -0.320 0.000 1.169 483 H CA -0.725 55.041 56.048 -0.469 0.000 1.157 483 H CB 2.287 31.412 29.762 -1.063 0.000 1.789 483 H HN 0.550 nan 8.280 nan 0.000 0.547 484 S N 0.681 116.363 115.700 -0.029 0.000 2.554 484 S HA 0.196 4.667 4.470 0.001 0.000 0.278 484 S C 0.730 175.294 174.600 -0.060 0.000 1.242 484 S CA -0.585 57.598 58.200 -0.029 0.000 1.051 484 S CB 1.692 64.914 63.200 0.035 0.000 0.986 484 S HN 0.555 nan 8.310 nan 0.000 0.502 485 S N 1.886 117.536 115.700 -0.084 0.000 2.461 485 S HA -0.027 4.443 4.470 0.001 0.000 0.228 485 S C 1.822 176.423 174.600 0.000 0.000 1.005 485 S CA 0.572 58.819 58.200 0.077 0.000 0.942 485 S CB -0.464 62.773 63.200 0.061 0.000 0.776 485 S HN 0.608 nan 8.310 nan 0.000 0.514 486 V N 2.962 122.840 119.914 -0.059 0.000 2.220 486 V HA -0.177 3.943 4.120 0.001 0.000 0.246 486 V C 1.632 177.721 176.094 -0.009 0.000 1.049 486 V CA 1.765 64.047 62.300 -0.029 0.000 1.003 486 V CB -0.599 31.206 31.823 -0.029 0.000 0.634 486 V HN 0.425 nan 8.190 nan 0.000 0.444 487 N N -1.384 117.316 118.700 0.000 0.000 2.236 487 N HA 0.059 4.800 4.740 0.001 0.000 0.196 487 N C 0.111 175.628 175.510 0.013 0.000 1.114 487 N CA 0.269 53.323 53.050 0.006 0.000 0.859 487 N CB -0.057 38.438 38.487 0.012 0.000 0.982 487 N HN 0.424 nan 8.380 nan 0.000 0.493 488 D N 0.483 120.905 120.400 0.037 0.000 2.708 488 D HA -0.206 4.435 4.640 0.001 0.000 0.236 488 D C 0.009 176.347 176.300 0.063 0.000 1.146 488 D CA 0.839 54.891 54.000 0.087 0.000 0.662 488 D CB -0.859 39.994 40.800 0.090 0.000 1.059 488 D HN 0.420 nan 8.370 nan 0.000 0.428 489 K N 0.436 120.862 120.400 0.044 0.000 2.205 489 K HA 0.447 4.767 4.320 0.001 0.000 0.279 489 K C 0.571 177.196 176.600 0.041 0.000 1.027 489 K CA -0.254 56.056 56.287 0.039 0.000 0.932 489 K CB 1.011 33.523 32.500 0.020 0.000 1.032 489 K HN 0.039 nan 8.250 nan 0.000 0.466 490 G N 4.212 113.030 108.800 0.031 0.000 2.364 490 G HA2 0.214 4.174 3.960 0.001 0.000 0.267 490 G HA3 0.214 4.174 3.960 0.001 0.000 0.267 490 G C 0.479 175.279 174.900 -0.168 0.000 1.233 490 G CA -0.553 44.471 45.100 -0.127 0.000 0.885 490 G HN 0.691 nan 8.290 nan 0.000 0.490 491 L N 1.816 122.889 121.223 -0.250 0.000 2.189 491 L HA 0.351 4.692 4.340 0.001 0.000 0.199 491 L C 1.517 178.299 176.870 -0.146 0.000 1.074 491 L CA 0.624 55.384 54.840 -0.133 0.000 0.783 491 L CB -0.113 41.910 42.059 -0.061 0.000 0.955 491 L HN 0.719 nan 8.230 nan 0.000 0.460 492 R N -1.094 119.273 120.500 -0.221 0.000 2.692 492 R HA 0.480 4.820 4.340 0.001 0.000 0.269 492 R C -1.643 174.504 176.300 -0.254 0.000 1.030 492 R CA -0.789 55.187 56.100 -0.207 0.000 0.882 492 R CB 1.721 31.907 30.300 -0.191 0.000 1.250 492 R HN -0.253 nan 8.270 nan 0.000 0.465 493 V N 3.516 123.305 119.914 -0.209 0.000 2.432 493 V HA 0.149 4.270 4.120 0.001 0.000 0.271 493 V C 1.200 177.120 176.094 -0.290 0.000 1.046 493 V CA -0.305 61.873 62.300 -0.204 0.000 0.945 493 V CB 1.050 32.793 31.823 -0.133 0.000 0.992 493 V HN 0.678 nan 8.190 nan 0.000 0.471 494 L N 2.706 123.690 121.223 -0.398 0.000 2.168 494 L HA 0.296 4.637 4.340 0.001 0.000 0.203 494 L C 0.699 177.212 176.870 -0.595 0.000 1.078 494 L CA 0.722 55.103 54.840 -0.765 0.000 0.780 494 L CB 0.209 41.517 42.059 -1.250 0.000 0.939 494 L HN 0.672 nan 8.230 nan 0.000 0.451 495 E N 0.012 120.043 120.200 -0.282 0.000 2.415 495 E HA 0.077 4.428 4.350 0.001 0.000 0.302 495 E C -1.299 175.334 176.600 0.055 0.000 0.907 495 E CA -0.296 56.056 56.400 -0.079 0.000 0.798 495 E CB 0.877 30.540 29.700 -0.062 0.000 1.315 495 E HN 0.176 nan 8.360 nan 0.000 0.396 496 D N 3.563 123.976 120.400 0.022 0.000 2.479 496 D HA 0.113 4.753 4.640 0.001 0.000 0.218 496 D C -0.371 175.942 176.300 0.022 0.000 1.177 496 D CA -0.315 53.697 54.000 0.021 0.000 0.830 496 D CB -0.102 40.686 40.800 -0.019 0.000 1.014 496 D HN 0.458 nan 8.370 nan 0.000 0.503 497 N N 0.905 119.633 118.700 0.048 0.000 2.721 497 N HA -0.204 4.537 4.740 0.001 0.000 0.249 497 N C 0.889 176.414 175.510 0.026 0.000 1.072 497 N CA 0.928 54.008 53.050 0.050 0.000 0.710 497 N CB -1.255 37.274 38.487 0.069 0.000 0.993 497 N HN 0.457 nan 8.380 nan 0.000 0.547 498 S N -1.117 114.592 115.700 0.015 0.000 2.419 498 S HA -0.065 4.406 4.470 0.001 0.000 0.233 498 S C 2.119 176.735 174.600 0.025 0.000 1.016 498 S CA 0.922 59.127 58.200 0.008 0.000 0.974 498 S CB -0.093 63.107 63.200 0.001 0.000 0.786 498 S HN 0.557 nan 8.310 nan 0.000 0.492 499 A N 2.471 125.314 122.820 0.037 0.000 1.865 499 A HA -0.031 4.290 4.320 0.001 0.000 0.217 499 A C 2.212 179.840 177.584 0.073 0.000 1.191 499 A CA 1.734 53.802 52.037 0.051 0.000 0.623 499 A CB -0.985 18.047 19.000 0.053 0.000 0.826 499 A HN 0.472 nan 8.150 nan 0.000 0.444 500 L N 0.465 121.740 121.223 0.086 0.000 2.017 500 L HA -0.170 4.171 4.340 0.001 0.000 0.208 500 L C 1.889 178.811 176.870 0.086 0.000 1.073 500 L CA 2.857 57.769 54.840 0.120 0.000 0.745 500 L CB -1.274 40.864 42.059 0.131 0.000 0.894 500 L HN 0.524 nan 8.230 nan 0.000 0.432 501 D N -0.518 119.904 120.400 0.036 0.000 2.133 501 D HA -0.303 4.338 4.640 0.001 0.000 0.192 501 D C 2.177 178.490 176.300 0.021 0.000 1.001 501 D CA 1.713 55.714 54.000 0.002 0.000 0.844 501 D CB -0.049 40.738 40.800 -0.022 0.000 0.944 501 D HN 0.237 nan 8.370 nan 0.000 0.447 502 K N -0.065 120.356 120.400 0.035 0.000 2.209 502 K HA -0.098 4.222 4.320 0.001 0.000 0.204 502 K C 1.911 178.548 176.600 0.061 0.000 1.048 502 K CA 1.441 57.752 56.287 0.039 0.000 0.940 502 K CB -0.238 32.284 32.500 0.037 0.000 0.729 502 K HN 0.477 nan 8.250 nan 0.000 0.451 503 M N -2.073 117.584 119.600 0.095 0.000 2.337 503 M HA 0.230 4.711 4.480 0.001 0.000 0.256 503 M C 0.952 177.351 176.300 0.165 0.000 1.075 503 M CA 0.273 55.660 55.300 0.145 0.000 1.024 503 M CB 0.333 33.047 32.600 0.189 0.000 1.429 503 M HN -0.040 nan 8.290 nan 0.000 0.497 504 L N 1.787 123.061 121.223 0.084 0.000 2.509 504 L HA 0.070 4.410 4.340 0.001 0.000 0.222 504 L C 2.570 179.423 176.870 -0.027 0.000 1.123 504 L CA 1.501 56.322 54.840 -0.031 0.000 0.856 504 L CB -0.412 41.614 42.059 -0.056 0.000 0.985 504 L HN 0.559 nan 8.230 nan 0.000 0.456 505 Q N -0.306 119.498 119.800 0.007 0.000 2.135 505 Q HA -0.193 4.148 4.340 0.001 0.000 0.204 505 Q C 0.589 176.597 176.000 0.014 0.000 0.981 505 Q CA 1.926 57.730 55.803 0.002 0.000 0.856 505 Q CB -0.682 28.062 28.738 0.010 0.000 0.902 505 Q HN 0.561 nan 8.270 nan 0.000 0.425 506 N N 0.269 118.991 118.700 0.037 0.000 2.295 506 N HA 0.202 4.943 4.740 0.001 0.000 0.221 506 N C -1.073 174.474 175.510 0.062 0.000 1.129 506 N CA -0.140 52.941 53.050 0.052 0.000 0.836 506 N CB 0.978 39.505 38.487 0.066 0.000 1.040 506 N HN -0.015 nan 8.380 nan 0.000 0.494 507 V N 0.710 120.640 119.914 0.027 0.000 2.483 507 V HA 0.211 4.332 4.120 0.001 0.000 0.295 507 V C 0.149 176.248 176.094 0.009 0.000 1.035 507 V CA -0.931 61.381 62.300 0.021 0.000 0.896 507 V CB 1.964 33.740 31.823 -0.079 0.000 0.986 507 V HN 0.235 nan 8.190 nan 0.000 0.447 508 Q N 4.488 124.312 119.800 0.041 0.000 2.381 508 Q HA 0.292 4.633 4.340 0.001 0.000 0.243 508 Q C -0.572 175.422 176.000 -0.011 0.000 1.154 508 Q CA -0.065 55.750 55.803 0.020 0.000 0.899 508 Q CB 0.526 29.310 28.738 0.077 0.000 1.396 508 Q HN 0.513 nan 8.270 nan 0.000 0.485 509 M N 4.312 123.879 119.600 -0.056 0.000 2.314 509 M HA 0.398 4.878 4.480 0.001 0.000 0.342 509 M C -2.117 174.132 176.300 -0.085 0.000 1.171 509 M CA -2.488 52.770 55.300 -0.071 0.000 1.098 509 M CB 0.689 33.247 32.600 -0.070 0.000 1.559 509 M HN 0.290 nan 8.290 nan 0.000 0.459 510 P HA 0.213 nan 4.420 nan 0.000 0.277 510 P C -0.887 176.354 177.300 -0.098 0.000 1.240 510 P CA -0.383 62.653 63.100 -0.108 0.000 0.798 510 P CB 0.500 32.126 31.700 -0.124 0.000 0.979 511 S N 1.288 116.915 115.700 -0.121 0.000 2.541 511 S HA 0.377 4.847 4.470 0.001 0.000 0.283 511 S C -0.091 174.438 174.600 -0.119 0.000 1.196 511 S CA -0.877 57.260 58.200 -0.105 0.000 1.062 511 S CB 1.307 64.435 63.200 -0.121 0.000 1.009 511 S HN 0.462 nan 8.310 nan 0.000 0.502 512 K N 1.581 121.940 120.400 -0.068 0.000 2.227 512 K HA 0.279 4.599 4.320 0.001 0.000 0.280 512 K C -0.576 175.984 176.600 -0.067 0.000 1.041 512 K CA -0.474 55.777 56.287 -0.060 0.000 0.905 512 K CB 0.674 33.169 32.500 -0.009 0.000 1.068 512 K HN 0.744 nan 8.250 nan 0.000 0.470 513 K N 5.355 125.704 120.400 -0.085 0.000 2.182 513 K HA 0.340 4.661 4.320 0.001 0.000 0.262 513 K C -1.425 175.161 176.600 -0.024 0.000 0.957 513 K CA -0.775 55.473 56.287 -0.065 0.000 0.842 513 K CB 1.054 33.490 32.500 -0.107 0.000 1.099 513 K HN 0.562 nan 8.250 nan 0.000 0.438 514 L N 4.309 125.520 121.223 -0.019 0.000 2.372 514 L HA 0.481 4.821 4.340 0.001 0.000 0.274 514 L C -1.541 175.313 176.870 -0.027 0.000 0.988 514 L CA -0.278 54.568 54.840 0.009 0.000 0.833 514 L CB 1.441 43.561 42.059 0.102 0.000 1.236 514 L HN 0.884 nan 8.230 nan 0.000 0.410 515 D N 2.928 123.121 120.400 -0.344 0.000 2.812 515 D HA 0.486 5.126 4.640 0.001 0.000 0.318 515 D C -1.456 174.432 176.300 -0.687 0.000 1.234 515 D CA -0.004 53.705 54.000 -0.485 0.000 0.989 515 D CB 2.371 42.836 40.800 -0.557 0.000 1.442 515 D HN 0.266 nan 8.370 nan 0.000 0.537 516 F N -0.008 119.495 119.950 -0.744 0.000 2.611 516 F HA 0.753 5.280 4.527 0.001 0.000 0.324 516 F C -0.322 175.493 175.800 0.024 0.000 1.061 516 F CA -1.013 56.630 58.000 -0.594 0.000 0.954 516 F CB 0.739 38.961 39.000 -1.298 0.000 1.301 516 F HN 0.269 nan 8.300 nan 0.000 0.482 517 I N -0.312 120.516 120.570 0.431 0.000 3.170 517 I HA 0.710 4.881 4.170 0.001 0.000 0.312 517 I C -1.185 175.183 176.117 0.419 0.000 1.085 517 I CA -1.240 60.281 61.300 0.369 0.000 0.999 517 I CB 2.234 40.431 38.000 0.327 0.000 1.233 517 I HN 0.619 nan 8.210 nan 0.000 0.467 518 I N 2.246 123.000 120.570 0.307 0.000 2.750 518 I HA 0.551 4.722 4.170 0.001 0.000 0.308 518 I C -1.233 175.046 176.117 0.270 0.000 1.016 518 I CA -0.980 60.482 61.300 0.271 0.000 1.098 518 I CB 2.001 40.113 38.000 0.188 0.000 1.279 518 I HN 0.345 nan 8.210 nan 0.000 0.454 519 L N 4.080 125.478 121.223 0.291 0.000 2.737 519 L HA 0.271 4.612 4.340 0.001 0.000 0.261 519 L C -0.808 176.194 176.870 0.219 0.000 0.949 519 L CA -0.564 54.434 54.840 0.262 0.000 0.952 519 L CB 0.997 43.261 42.059 0.343 0.000 1.337 519 L HN 0.560 nan 8.230 nan 0.000 0.430 520 N N 2.599 121.370 118.700 0.119 0.000 2.686 520 N HA -0.237 4.504 4.740 0.001 0.000 0.261 520 N C 0.397 175.948 175.510 0.068 0.000 1.001 520 N CA 1.258 54.355 53.050 0.078 0.000 0.764 520 N CB -0.766 37.758 38.487 0.062 0.000 0.898 520 N HN 0.720 nan 8.380 nan 0.000 0.544 521 E N -3.028 117.208 120.200 0.059 0.000 2.660 521 E HA -0.234 4.117 4.350 0.001 0.000 0.260 521 E C -0.661 175.938 176.600 -0.002 0.000 1.122 521 E CA 1.684 58.102 56.400 0.029 0.000 0.755 521 E CB -1.168 28.541 29.700 0.014 0.000 1.345 521 E HN 0.594 nan 8.360 nan 0.000 0.421 522 T N -0.092 114.465 114.554 0.006 0.000 2.863 522 T HA 0.383 4.733 4.350 0.001 0.000 0.285 522 T C -0.009 174.559 174.700 -0.220 0.000 1.009 522 T CA -0.875 61.135 62.100 -0.150 0.000 0.989 522 T CB 1.796 70.523 68.868 -0.235 0.000 1.004 522 T HN -0.039 nan 8.240 nan 0.000 0.455 523 K N 1.712 121.899 120.400 -0.356 0.000 2.218 523 K HA 0.527 4.848 4.320 0.001 0.000 0.276 523 K C -1.240 175.054 176.600 -0.510 0.000 1.022 523 K CA -0.170 55.914 56.287 -0.338 0.000 0.946 523 K CB 0.518 32.743 32.500 -0.459 0.000 1.000 523 K HN 0.415 nan 8.250 nan 0.000 0.468 524 F N 1.470 121.452 119.950 0.053 0.000 2.581 524 F HA 0.309 4.837 4.527 0.001 0.000 0.311 524 F C -0.840 174.997 175.800 0.062 0.000 1.113 524 F CA -0.699 57.353 58.000 0.088 0.000 0.935 524 F CB 1.066 40.154 39.000 0.148 0.000 1.232 524 F HN 0.473 nan 8.300 nan 0.000 0.445 525 W N 3.084 124.485 121.300 0.169 0.000 2.509 525 W HA 0.639 5.299 4.660 0.000 0.000 0.351 525 W C -0.851 175.793 176.519 0.209 0.000 1.107 525 W CA -0.646 56.812 57.345 0.188 0.000 1.264 525 W CB 1.203 30.731 29.460 0.113 0.000 1.312 525 W HN 0.438 nan 8.180 nan 0.000 0.608 526 Y N -0.696 119.903 120.300 0.497 0.000 2.638 526 Y HA 0.629 5.180 4.550 0.001 0.000 0.335 526 Y C -1.090 175.023 175.900 0.357 0.000 1.155 526 Y CA -1.870 56.511 58.100 0.468 0.000 1.046 526 Y CB 1.002 39.890 38.460 0.714 0.000 1.303 526 Y HN 0.564 nan 8.280 nan 0.000 0.460 527 Q N 2.043 122.128 119.800 0.473 0.000 2.423 527 Q HA 0.776 5.116 4.340 0.001 0.000 0.278 527 Q C -1.672 174.487 176.000 0.265 0.000 1.097 527 Q CA -1.213 54.757 55.803 0.277 0.000 0.809 527 Q CB 3.389 32.225 28.738 0.163 0.000 1.391 527 Q HN 0.829 nan 8.270 nan 0.000 0.428 528 M N 2.242 121.914 119.600 0.119 0.000 2.326 528 M HA 0.419 4.899 4.480 0.001 0.000 0.306 528 M C -1.206 175.038 176.300 -0.094 0.000 1.054 528 M CA -1.032 54.254 55.300 -0.024 0.000 0.922 528 M CB 2.082 34.609 32.600 -0.121 0.000 1.632 528 M HN 0.585 nan 8.290 nan 0.000 0.436 529 I N 5.074 125.584 120.570 -0.099 0.000 2.322 529 I HA 0.327 4.498 4.170 0.001 0.000 0.292 529 I C -0.294 175.689 176.117 -0.223 0.000 1.060 529 I CA -0.266 60.952 61.300 -0.138 0.000 1.309 529 I CB -0.151 37.785 38.000 -0.106 0.000 1.415 529 I HN 0.630 nan 8.210 nan 0.000 0.492 530 L N 8.417 129.459 121.223 -0.303 0.000 2.307 530 L HA 0.444 4.785 4.340 0.001 0.000 0.282 530 L C -2.126 174.579 176.870 -0.275 0.000 1.051 530 L CA -1.786 52.785 54.840 -0.447 0.000 0.804 530 L CB 1.273 42.887 42.059 -0.741 0.000 1.197 530 L HN 0.268 nan 8.230 nan 0.000 0.431 531 P HA 0.105 nan 4.420 nan 0.000 0.270 531 P C -2.499 174.782 177.300 -0.030 0.000 1.223 531 P CA -1.016 62.030 63.100 -0.089 0.000 0.785 531 P CB -0.234 31.460 31.700 -0.010 0.000 0.923 532 P HA -0.041 nan 4.420 nan 0.000 0.267 532 P C -0.062 177.250 177.300 0.019 0.000 1.200 532 P CA 0.723 63.764 63.100 -0.099 0.000 0.772 532 P CB -0.215 31.424 31.700 -0.101 0.000 0.855 533 H N -1.362 117.748 119.070 0.067 0.000 2.861 533 H HA -0.219 4.338 4.556 0.001 0.000 0.289 533 H C 0.199 175.590 175.328 0.106 0.000 1.176 533 H CA 0.063 56.153 56.048 0.071 0.000 1.146 533 H CB -2.170 27.623 29.762 0.053 0.000 1.330 533 H HN 0.421 nan 8.280 nan 0.000 0.379 534 F N 2.819 122.776 119.950 0.012 0.000 2.579 534 F HA 0.047 4.575 4.527 0.001 0.000 0.397 534 F C 0.573 176.399 175.800 0.043 0.000 1.027 534 F CA 0.249 58.218 58.000 -0.051 0.000 1.217 534 F CB 0.439 39.289 39.000 -0.251 0.000 0.986 534 F HN 0.136 nan 8.300 nan 0.000 0.551 535 D N 5.867 125.952 120.400 -0.525 0.000 2.425 535 D HA 0.150 4.790 4.640 0.001 0.000 0.240 535 D C 0.486 176.366 176.300 -0.701 0.000 1.080 535 D CA -0.507 53.224 54.000 -0.449 0.000 0.836 535 D CB 1.633 42.339 40.800 -0.157 0.000 1.125 535 D HN 0.716 nan 8.370 nan 0.000 0.525 536 K N 1.297 121.339 120.400 -0.597 0.000 2.439 536 K HA -0.043 4.278 4.320 0.001 0.000 0.197 536 K C 1.074 177.640 176.600 -0.057 0.000 1.041 536 K CA 0.699 56.779 56.287 -0.345 0.000 0.970 536 K CB 0.240 32.687 32.500 -0.090 0.000 0.773 536 K HN 0.349 nan 8.250 nan 0.000 0.479 537 S N -0.471 115.175 115.700 -0.091 0.000 2.597 537 S HA 0.189 4.660 4.470 0.001 0.000 0.224 537 S C 0.005 174.568 174.600 -0.061 0.000 0.955 537 S CA -0.477 57.700 58.200 -0.039 0.000 0.933 537 S CB 0.202 63.376 63.200 -0.044 0.000 0.788 537 S HN 0.051 nan 8.310 nan 0.000 0.488 538 K N 1.091 121.436 120.400 -0.092 0.000 2.156 538 K HA 0.478 4.799 4.320 0.001 0.000 0.254 538 K C -1.017 175.538 176.600 -0.075 0.000 0.950 538 K CA -0.668 55.516 56.287 -0.171 0.000 0.849 538 K CB 1.053 33.317 32.500 -0.394 0.000 1.100 538 K HN -0.095 nan 8.250 nan 0.000 0.434 539 K N 2.455 122.785 120.400 -0.116 0.000 2.263 539 K HA 0.208 4.528 4.320 0.001 0.000 0.282 539 K C -1.253 175.293 176.600 -0.091 0.000 1.089 539 K CA -0.132 56.141 56.287 -0.023 0.000 0.907 539 K CB 0.214 32.687 32.500 -0.045 0.000 1.148 539 K HN 0.336 nan 8.250 nan 0.000 0.470 540 Y N 4.077 124.408 120.300 0.052 0.000 2.301 540 Y HA 0.254 4.805 4.550 0.001 0.000 0.325 540 Y C -1.693 174.165 175.900 -0.070 0.000 1.203 540 Y CA -2.174 55.938 58.100 0.020 0.000 1.255 540 Y CB 0.735 39.271 38.460 0.126 0.000 1.232 540 Y HN 0.524 nan 8.280 nan 0.000 0.501 541 P HA 0.181 nan 4.420 nan 0.000 0.274 541 P C -1.191 176.004 177.300 -0.176 0.000 1.231 541 P CA -0.276 62.609 63.100 -0.358 0.000 0.790 541 P CB 1.481 32.666 31.700 -0.858 0.000 0.951 542 L N 2.811 123.945 121.223 -0.148 0.000 2.376 542 L HA 0.479 4.819 4.340 0.001 0.000 0.275 542 L C -1.124 175.931 176.870 0.308 0.000 0.987 542 L CA -1.187 53.708 54.840 0.092 0.000 0.828 542 L CB 1.609 43.722 42.059 0.089 0.000 1.249 542 L HN 0.170 nan 8.230 nan 0.000 0.409 543 L N 5.311 126.733 121.223 0.333 0.000 2.295 543 L HA 0.513 4.854 4.340 0.001 0.000 0.285 543 L C -1.203 175.900 176.870 0.388 0.000 1.035 543 L CA -0.238 54.849 54.840 0.412 0.000 0.806 543 L CB 1.570 43.822 42.059 0.322 0.000 1.214 543 L HN 0.612 nan 8.230 nan 0.000 0.426 544 L N 5.169 126.674 121.223 0.470 0.000 2.262 544 L HA 0.427 4.768 4.340 0.001 0.000 0.288 544 L C -0.656 176.456 176.870 0.404 0.000 1.035 544 L CA 0.073 55.174 54.840 0.435 0.000 0.820 544 L CB 0.846 43.204 42.059 0.499 0.000 1.204 544 L HN 0.601 nan 8.230 nan 0.000 0.424 545 D N 4.434 125.051 120.400 0.362 0.000 2.411 545 D HA 0.151 4.792 4.640 0.001 0.000 0.225 545 D C -0.995 175.401 176.300 0.160 0.000 1.156 545 D CA 0.130 54.278 54.000 0.247 0.000 0.874 545 D CB 1.180 42.186 40.800 0.345 0.000 1.034 545 D HN 0.335 nan 8.370 nan 0.000 0.502 546 V N 5.567 125.509 119.914 0.048 0.000 2.513 546 V HA 0.338 4.459 4.120 0.001 0.000 0.299 546 V C -0.646 175.538 176.094 0.151 0.000 1.035 546 V CA -0.358 62.022 62.300 0.133 0.000 0.889 546 V CB 1.739 33.631 31.823 0.115 0.000 0.988 546 V HN 0.603 nan 8.190 nan 0.000 0.440 547 Y N 5.546 125.918 120.300 0.121 0.000 3.059 547 Y HA 0.538 5.088 4.550 0.001 0.000 0.212 547 Y C 1.602 177.651 175.900 0.248 0.000 0.947 547 Y CA 1.179 59.378 58.100 0.165 0.000 1.571 547 Y CB 0.242 38.782 38.460 0.134 0.000 1.432 547 Y HN 0.935 nan 8.280 nan 0.000 0.450 548 A N 0.785 123.780 122.820 0.292 0.000 2.899 548 A HA -0.162 4.159 4.320 0.001 0.000 0.257 548 A C 0.897 178.429 177.584 -0.087 0.000 1.335 548 A CA 0.831 52.977 52.037 0.181 0.000 0.924 548 A CB -2.507 16.632 19.000 0.232 0.000 1.105 548 A HN 0.922 nan 8.150 nan 0.000 0.765 549 G N -0.887 107.632 108.800 -0.469 0.000 2.634 549 G HA2 0.487 4.447 3.960 0.001 0.000 0.255 549 G HA3 0.487 4.447 3.960 0.001 0.000 0.255 549 G C -2.328 172.305 174.900 -0.445 0.000 1.205 549 G CA -0.769 43.633 45.100 -1.164 0.000 0.884 549 G HN 0.309 nan 8.290 nan 0.000 0.549 550 P HA 0.156 nan 4.420 nan 0.000 0.267 550 P C 0.456 177.647 177.300 -0.182 0.000 1.209 550 P CA -0.012 62.861 63.100 -0.377 0.000 0.763 550 P CB 0.858 32.025 31.700 -0.888 0.000 0.816 551 C N 2.390 121.633 119.300 -0.095 0.000 4.552 551 C HA -0.150 4.311 4.460 0.001 0.000 0.268 551 C C 1.013 176.021 174.990 0.030 0.000 1.288 551 C CA 1.191 60.104 59.018 -0.174 0.000 1.776 551 C CB -2.651 24.818 27.740 -0.452 0.000 1.415 551 C HN 0.794 nan 8.230 nan 0.000 0.729 552 S N 0.105 115.899 115.700 0.156 0.000 2.632 552 S HA 0.580 5.051 4.470 0.001 0.000 0.267 552 S C -0.584 174.182 174.600 0.277 0.000 1.276 552 S CA 0.103 58.479 58.200 0.294 0.000 0.998 552 S CB 1.614 65.068 63.200 0.423 0.000 0.953 552 S HN 0.761 nan 8.310 nan 0.000 0.547 553 Q N 0.027 120.005 119.800 0.297 0.000 2.406 553 Q HA 0.306 4.647 4.340 0.001 0.000 0.244 553 Q C -0.665 175.454 176.000 0.198 0.000 0.884 553 Q CA -0.616 55.354 55.803 0.277 0.000 0.813 553 Q CB 1.013 29.976 28.738 0.374 0.000 1.368 553 Q HN 0.692 nan 8.270 nan 0.000 0.439 554 K N 0.573 121.092 120.400 0.199 0.000 2.354 554 K HA 0.292 4.613 4.320 0.001 0.000 0.194 554 K C -0.031 176.672 176.600 0.171 0.000 1.045 554 K CA 0.341 56.734 56.287 0.177 0.000 1.026 554 K CB 1.206 33.841 32.500 0.225 0.000 0.866 554 K HN 0.473 nan 8.250 nan 0.000 0.530 555 A N 2.977 125.909 122.820 0.186 0.000 2.341 555 A HA 0.374 4.695 4.320 0.001 0.000 0.326 555 A C -0.637 177.018 177.584 0.118 0.000 1.402 555 A CA -0.523 51.627 52.037 0.189 0.000 0.957 555 A CB -0.054 19.112 19.000 0.276 0.000 1.151 555 A HN 0.256 nan 8.150 nan 0.000 0.533 556 D N -0.031 120.419 120.400 0.084 0.000 2.798 556 D HA 0.473 5.114 4.640 0.001 0.000 0.308 556 D C 0.436 176.763 176.300 0.046 0.000 1.187 556 D CA 0.332 54.369 54.000 0.062 0.000 1.033 556 D CB 0.379 41.204 40.800 0.042 0.000 1.445 556 D HN 0.156 nan 8.370 nan 0.000 0.550 557 T N -2.428 112.167 114.554 0.068 0.000 3.129 557 T HA 0.336 4.686 4.350 0.001 0.000 0.267 557 T C 0.270 174.962 174.700 -0.013 0.000 1.018 557 T CA -0.391 61.745 62.100 0.061 0.000 0.903 557 T CB -0.638 68.301 68.868 0.118 0.000 1.067 557 T HN 0.261 nan 8.240 nan 0.000 0.549 558 V N 2.842 122.652 119.914 -0.173 0.000 2.637 558 V HA 0.318 4.439 4.120 0.001 0.000 0.296 558 V C 0.204 176.264 176.094 -0.056 0.000 1.046 558 V CA -0.866 61.289 62.300 -0.242 0.000 1.066 558 V CB -0.167 31.398 31.823 -0.430 0.000 0.968 558 V HN 0.548 nan 8.190 nan 0.000 0.483 559 F N 6.442 126.306 119.950 -0.144 0.000 2.412 559 F HA 0.572 5.100 4.527 0.002 0.000 0.348 559 F C 0.480 176.225 175.800 -0.092 0.000 1.102 559 F CA -0.283 57.653 58.000 -0.106 0.000 1.196 559 F CB 0.377 39.321 39.000 -0.094 0.000 1.144 559 F HN 0.431 nan 8.300 nan 0.000 0.541 560 R N 6.365 126.311 120.500 -0.924 0.000 2.673 560 R HA 0.523 4.864 4.340 0.001 0.000 0.281 560 R C -1.704 174.101 176.300 -0.824 0.000 0.991 560 R CA -1.045 54.654 56.100 -0.668 0.000 0.896 560 R CB 2.098 32.208 30.300 -0.318 0.000 1.201 560 R HN 0.663 nan 8.270 nan 0.000 0.457 561 L N 4.126 125.048 121.223 -0.500 0.000 2.337 561 L HA 0.394 4.735 4.340 0.001 0.000 0.269 561 L C -0.659 176.154 176.870 -0.095 0.000 1.018 561 L CA -0.679 53.944 54.840 -0.361 0.000 0.876 561 L CB 0.526 42.480 42.059 -0.175 0.000 1.236 561 L HN 0.726 nan 8.230 nan 0.000 0.436 562 N N -0.028 118.553 118.700 -0.199 0.000 3.229 562 N HA 0.189 4.930 4.740 0.001 0.000 0.315 562 N C 0.251 175.459 175.510 -0.502 0.000 1.520 562 N CA -0.929 51.915 53.050 -0.343 0.000 0.769 562 N CB 0.216 38.616 38.487 -0.145 0.000 1.766 562 N HN 0.269 nan 8.380 nan 0.000 0.618 563 W N 0.690 121.435 121.300 -0.925 0.000 2.321 563 W HA 0.008 4.669 4.660 0.001 0.000 0.306 563 W C 2.104 178.591 176.519 -0.052 0.000 1.217 563 W CA 3.097 60.139 57.345 -0.504 0.000 1.257 563 W CB -1.072 28.225 29.460 -0.271 0.000 1.145 563 W HN 0.714 nan 8.180 nan 0.000 0.509 564 A N -0.391 122.386 122.820 -0.071 0.000 1.908 564 A HA -0.261 4.060 4.320 0.001 0.000 0.218 564 A C 1.949 179.433 177.584 -0.166 0.000 1.181 564 A CA 2.914 54.856 52.037 -0.159 0.000 0.627 564 A CB -1.401 17.589 19.000 -0.016 0.000 0.818 564 A HN 0.350 nan 8.150 nan 0.000 0.445 565 T N -1.321 113.151 114.554 -0.136 0.000 2.720 565 T HA -0.258 4.092 4.350 0.001 0.000 0.268 565 T C 1.772 176.498 174.700 0.043 0.000 1.037 565 T CA 1.698 63.706 62.100 -0.154 0.000 1.144 565 T CB -0.602 68.011 68.868 -0.425 0.000 0.864 565 T HN 0.682 nan 8.240 nan 0.000 0.444 566 Y N 2.067 122.432 120.300 0.107 0.000 2.114 566 Y HA -0.096 4.455 4.550 0.001 0.000 0.284 566 Y C 2.075 177.956 175.900 -0.032 0.000 1.143 566 Y CA 1.116 59.306 58.100 0.151 0.000 1.135 566 Y CB -0.541 37.998 38.460 0.132 0.000 0.980 566 Y HN 0.077 nan 8.280 nan 0.000 0.499 567 L N 0.357 121.195 121.223 -0.640 0.000 2.042 567 L HA -0.237 4.103 4.340 0.001 0.000 0.210 567 L C 2.854 179.499 176.870 -0.376 0.000 1.076 567 L CA 1.307 55.724 54.840 -0.705 0.000 0.749 567 L CB -0.931 40.759 42.059 -0.616 0.000 0.893 567 L HN 0.441 nan 8.230 nan 0.000 0.432 568 A N -1.218 121.455 122.820 -0.244 0.000 1.854 568 A HA -0.182 4.139 4.320 0.001 0.000 0.214 568 A C 2.519 180.044 177.584 -0.099 0.000 1.192 568 A CA 1.734 53.681 52.037 -0.150 0.000 0.611 568 A CB -0.710 18.203 19.000 -0.145 0.000 0.832 568 A HN 0.323 nan 8.150 nan 0.000 0.442 569 S N -1.134 114.524 115.700 -0.070 0.000 2.356 569 S HA -0.129 4.341 4.470 0.001 0.000 0.223 569 S C 2.012 176.624 174.600 0.019 0.000 1.032 569 S CA 2.361 60.568 58.200 0.011 0.000 1.005 569 S CB -0.412 62.855 63.200 0.112 0.000 0.867 569 S HN 0.597 nan 8.310 nan 0.000 0.449 570 T N 1.134 115.656 114.554 -0.053 0.000 2.953 570 T HA 0.171 4.522 4.350 0.001 0.000 0.247 570 T C 1.422 176.062 174.700 -0.100 0.000 1.029 570 T CA 0.584 62.660 62.100 -0.041 0.000 1.144 570 T CB -0.127 68.753 68.868 0.019 0.000 0.870 570 T HN 0.301 nan 8.240 nan 0.000 0.446 571 E N 1.253 121.305 120.200 -0.246 0.000 2.474 571 E HA 0.149 4.500 4.350 0.001 0.000 0.195 571 E C -0.065 176.522 176.600 -0.022 0.000 1.039 571 E CA -0.051 56.264 56.400 -0.142 0.000 0.881 571 E CB -0.086 29.477 29.700 -0.229 0.000 0.970 571 E HN 0.254 nan 8.360 nan 0.000 0.486 572 N N 0.674 119.378 118.700 0.007 0.000 2.738 572 N HA -0.197 4.544 4.740 0.001 0.000 0.249 572 N C -0.893 174.722 175.510 0.174 0.000 1.047 572 N CA 0.647 53.781 53.050 0.140 0.000 0.707 572 N CB -1.659 36.960 38.487 0.220 0.000 0.937 572 N HN 0.277 nan 8.380 nan 0.000 0.545 573 I N 0.735 121.331 120.570 0.043 0.000 2.362 573 I HA 0.319 4.490 4.170 0.001 0.000 0.289 573 I C 0.762 176.872 176.117 -0.012 0.000 0.994 573 I CA -0.768 60.566 61.300 0.056 0.000 1.158 573 I CB 1.209 39.246 38.000 0.062 0.000 1.315 573 I HN -0.010 nan 8.210 nan 0.000 0.451 574 I N 7.146 127.714 120.570 -0.002 0.000 2.494 574 I HA 0.057 4.228 4.170 0.001 0.000 0.289 574 I C 0.126 176.238 176.117 -0.009 0.000 1.106 574 I CA 0.008 61.264 61.300 -0.074 0.000 1.369 574 I CB 0.754 38.715 38.000 -0.065 0.000 1.410 574 I HN 0.307 nan 8.210 nan 0.000 0.523 575 V N 7.235 127.133 119.914 -0.027 0.000 2.394 575 V HA 0.847 4.968 4.120 0.001 0.000 0.282 575 V C 0.054 176.180 176.094 0.052 0.000 1.031 575 V CA -0.098 62.235 62.300 0.055 0.000 0.881 575 V CB 1.192 33.052 31.823 0.062 0.000 0.982 575 V HN 0.770 nan 8.190 nan 0.000 0.451 576 A N 4.820 127.704 122.820 0.108 0.000 2.384 576 A HA 0.954 5.274 4.320 0.001 0.000 0.312 576 A C -0.257 177.486 177.584 0.264 0.000 1.113 576 A CA -0.632 51.467 52.037 0.104 0.000 0.779 576 A CB 2.186 21.112 19.000 -0.124 0.000 1.307 576 A HN 1.006 nan 8.150 nan 0.000 0.436 577 S N -0.507 115.396 115.700 0.339 0.000 2.569 577 S HA 0.781 5.251 4.470 0.001 0.000 0.280 577 S C -1.601 173.345 174.600 0.577 0.000 1.111 577 S CA -0.285 58.158 58.200 0.405 0.000 0.887 577 S CB 1.343 64.726 63.200 0.305 0.000 1.095 577 S HN 0.837 nan 8.310 nan 0.000 0.476 578 F N 1.771 121.948 119.950 0.378 0.000 2.574 578 F HA 0.441 4.968 4.527 0.001 0.000 0.313 578 F C -1.629 174.373 175.800 0.337 0.000 1.130 578 F CA -0.659 57.587 58.000 0.411 0.000 0.936 578 F CB 1.485 40.703 39.000 0.363 0.000 1.219 578 F HN 0.391 nan 8.300 nan 0.000 0.445 579 D N 4.895 125.107 120.400 -0.313 0.000 2.485 579 D HA 0.341 4.982 4.640 0.001 0.000 0.221 579 D C 0.430 176.521 176.300 -0.347 0.000 1.112 579 D CA 0.104 54.023 54.000 -0.135 0.000 0.911 579 D CB 1.370 42.219 40.800 0.082 0.000 1.019 579 D HN 0.746 nan 8.370 nan 0.000 0.516 580 G N 1.187 109.924 108.800 -0.106 0.000 2.630 580 G HA2 0.267 4.227 3.960 0.001 0.000 0.223 580 G HA3 0.267 4.227 3.960 0.001 0.000 0.223 580 G C 0.211 175.188 174.900 0.129 0.000 1.434 580 G CA -0.699 44.375 45.100 -0.042 0.000 1.057 580 G HN 0.266 nan 8.290 nan 0.000 0.570 581 R N -0.775 119.776 120.500 0.085 0.000 2.590 581 R HA 0.389 4.729 4.340 0.001 0.000 0.274 581 R C 1.230 177.638 176.300 0.181 0.000 1.061 581 R CA 1.307 57.520 56.100 0.188 0.000 1.081 581 R CB 0.582 30.967 30.300 0.141 0.000 0.984 581 R HN 1.016 nan 8.270 nan 0.000 0.448 582 G N 0.968 109.862 108.800 0.156 0.000 2.234 582 G HA2 -0.338 3.623 3.960 0.001 0.000 0.235 582 G HA3 -0.338 3.623 3.960 0.001 0.000 0.235 582 G C 0.150 175.088 174.900 0.064 0.000 0.997 582 G CA 0.201 45.370 45.100 0.115 0.000 0.623 582 G HN 0.732 nan 8.290 nan 0.000 0.514 583 S N 0.596 116.351 115.700 0.091 0.000 2.579 583 S HA 0.605 5.076 4.470 0.001 0.000 0.275 583 S C 0.969 175.549 174.600 -0.033 0.000 1.345 583 S CA 0.530 58.772 58.200 0.071 0.000 1.031 583 S CB 1.676 64.958 63.200 0.136 0.000 0.892 583 S HN 1.672 nan 8.310 nan 0.000 0.529 584 G N -0.266 108.461 108.800 -0.123 0.000 2.537 584 G HA2 0.465 4.425 3.960 0.001 0.000 0.297 584 G HA3 0.465 4.425 3.960 0.001 0.000 0.297 584 G C -0.680 174.014 174.900 -0.343 0.000 1.310 584 G CA -1.030 43.793 45.100 -0.463 0.000 1.027 584 G HN 1.059 nan 8.290 nan 0.000 0.505 585 Y N -2.398 117.892 120.300 -0.016 0.000 4.409 585 Y HA -0.244 4.307 4.550 0.001 0.000 0.228 585 Y C 1.357 177.250 175.900 -0.012 0.000 1.108 585 Y CA 1.085 59.184 58.100 -0.002 0.000 1.955 585 Y CB -1.952 36.528 38.460 0.034 0.000 1.615 585 Y HN 0.517 nan 8.280 nan 0.000 0.665 586 Q N -0.027 119.767 119.800 -0.011 0.000 2.086 586 Q HA 0.489 4.830 4.340 0.001 0.000 0.220 586 Q C 0.809 176.659 176.000 -0.250 0.000 0.792 586 Q CA 0.173 55.964 55.803 -0.019 0.000 1.062 586 Q CB 1.899 30.637 28.738 0.000 0.000 1.198 586 Q HN 0.566 nan 8.270 nan 0.000 0.466 587 G N 0.781 109.328 108.800 -0.422 0.000 2.629 587 G HA2 -0.172 3.789 3.960 0.001 0.000 0.686 587 G HA3 -0.172 3.789 3.960 0.001 0.000 0.686 587 G C -0.599 173.938 174.900 -0.605 0.000 1.232 587 G CA -0.609 44.006 45.100 -0.807 0.000 0.803 587 G HN 0.077 nan 8.290 nan 0.000 0.638 588 D N -0.145 119.871 120.400 -0.640 0.000 2.264 588 D HA -0.036 4.605 4.640 0.001 0.000 0.208 588 D C 2.228 178.252 176.300 -0.461 0.000 0.966 588 D CA 1.152 54.742 54.000 -0.683 0.000 0.864 588 D CB 0.113 40.547 40.800 -0.611 0.000 0.933 588 D HN 0.479 nan 8.370 nan 0.000 0.499 589 K N 0.380 120.564 120.400 -0.360 0.000 2.026 589 K HA -0.083 4.237 4.320 0.001 0.000 0.208 589 K C 2.085 178.602 176.600 -0.138 0.000 1.048 589 K CA 0.760 56.925 56.287 -0.203 0.000 0.929 589 K CB -0.130 32.265 32.500 -0.175 0.000 0.713 589 K HN 0.160 nan 8.250 nan 0.000 0.439 590 I N 0.570 121.047 120.570 -0.155 0.000 2.286 590 I HA -0.264 3.906 4.170 0.001 0.000 0.245 590 I C 2.689 178.778 176.117 -0.045 0.000 1.104 590 I CA 0.909 62.185 61.300 -0.039 0.000 1.397 590 I CB -0.114 37.876 38.000 -0.018 0.000 1.072 590 I HN 0.277 nan 8.210 nan 0.000 0.417 591 M N 0.086 119.573 119.600 -0.188 0.000 2.099 591 M HA -0.221 4.260 4.480 0.001 0.000 0.262 591 M C 1.796 178.061 176.300 -0.059 0.000 1.067 591 M CA 1.977 57.168 55.300 -0.180 0.000 1.124 591 M CB -0.289 32.079 32.600 -0.386 0.000 1.353 591 M HN 0.253 nan 8.290 nan 0.000 0.410 592 H N -0.617 118.340 119.070 -0.189 0.000 2.547 592 H HA 0.203 4.760 4.556 0.001 0.000 0.274 592 H C 1.747 177.081 175.328 0.010 0.000 1.024 592 H CA 0.066 56.009 56.048 -0.176 0.000 1.155 592 H CB 0.142 29.711 29.762 -0.321 0.000 1.344 592 H HN 0.512 nan 8.280 nan 0.000 0.598 593 A N 1.316 124.226 122.820 0.149 0.000 1.969 593 A HA -0.126 4.195 4.320 0.001 0.000 0.218 593 A C 1.843 179.618 177.584 0.320 0.000 1.169 593 A CA 1.113 53.250 52.037 0.167 0.000 0.635 593 A CB -0.433 18.620 19.000 0.089 0.000 0.810 593 A HN 0.441 nan 8.150 nan 0.000 0.445 594 I N -2.017 118.734 120.570 0.300 0.000 3.861 594 I HA 0.153 4.324 4.170 0.001 0.000 0.329 594 I C 0.348 176.585 176.117 0.201 0.000 1.321 594 I CA -0.787 60.667 61.300 0.256 0.000 1.126 594 I CB -1.045 37.072 38.000 0.194 0.000 1.018 594 I HN 0.203 nan 8.210 nan 0.000 0.407 595 N N 3.060 121.916 118.700 0.259 0.000 2.414 595 N HA -0.048 4.692 4.740 0.001 0.000 0.268 595 N C 0.243 175.805 175.510 0.086 0.000 1.286 595 N CA 0.208 53.407 53.050 0.248 0.000 0.896 595 N CB 0.256 38.850 38.487 0.179 0.000 1.093 595 N HN 0.387 nan 8.380 nan 0.000 0.480 596 R N 0.950 121.472 120.500 0.036 0.000 3.977 596 R HA -0.144 4.197 4.340 0.001 0.000 0.428 596 R C -0.304 175.858 176.300 -0.230 0.000 1.079 596 R CA 0.864 56.928 56.100 -0.059 0.000 1.269 596 R CB -0.784 29.497 30.300 -0.031 0.000 1.856 596 R HN 0.647 nan 8.270 nan 0.000 0.551 597 R N 0.754 121.117 120.500 -0.227 0.000 2.718 597 R HA 0.289 4.630 4.340 0.001 0.000 0.307 597 R C -0.242 175.995 176.300 -0.105 0.000 1.244 597 R CA -0.238 55.581 56.100 -0.468 0.000 1.348 597 R CB 0.371 30.433 30.300 -0.396 0.000 1.304 597 R HN 0.108 nan 8.270 nan 0.000 0.663 598 L N -0.294 120.972 121.223 0.071 0.000 2.467 598 L HA 0.216 4.557 4.340 0.001 0.000 0.270 598 L C 1.398 178.530 176.870 0.437 0.000 1.205 598 L CA 0.656 55.621 54.840 0.207 0.000 0.828 598 L CB 0.414 42.463 42.059 -0.016 0.000 1.101 598 L HN 0.644 nan 8.230 nan 0.000 0.479 599 G N 0.504 109.581 108.800 0.462 0.000 2.160 599 G HA2 -0.295 3.665 3.960 0.001 0.000 0.251 599 G HA3 -0.295 3.665 3.960 0.001 0.000 0.251 599 G C 0.443 175.418 174.900 0.125 0.000 1.008 599 G CA 0.661 45.953 45.100 0.319 0.000 0.724 599 G HN 0.913 nan 8.290 nan 0.000 0.514 600 T N -3.940 110.649 114.554 0.058 0.000 3.257 600 T HA 0.479 4.830 4.350 0.001 0.000 0.176 600 T C 1.638 176.285 174.700 -0.088 0.000 0.892 600 T CA 0.938 62.954 62.100 -0.140 0.000 1.147 600 T CB 0.016 68.613 68.868 -0.452 0.000 1.840 600 T HN 0.156 nan 8.240 nan 0.000 0.375 601 F N 3.416 123.415 119.950 0.081 0.000 2.171 601 F HA 0.105 4.632 4.527 0.001 0.000 0.300 601 F C 2.804 178.644 175.800 0.066 0.000 1.090 601 F CA 1.297 59.332 58.000 0.058 0.000 1.293 601 F CB -0.649 38.384 39.000 0.055 0.000 1.013 601 F HN 0.531 nan 8.300 nan 0.000 0.486 602 E N 0.705 121.064 120.200 0.265 0.000 2.265 602 E HA -0.122 4.229 4.350 0.001 0.000 0.196 602 E C 2.003 178.706 176.600 0.172 0.000 0.996 602 E CA 1.348 57.881 56.400 0.222 0.000 0.832 602 E CB -0.903 28.942 29.700 0.242 0.000 0.756 602 E HN 0.312 nan 8.360 nan 0.000 0.491 603 V N 1.506 121.491 119.914 0.119 0.000 2.300 603 V HA -0.163 3.958 4.120 0.001 0.000 0.241 603 V C 2.318 178.440 176.094 0.047 0.000 1.034 603 V CA 1.763 64.088 62.300 0.041 0.000 1.021 603 V CB -0.619 31.182 31.823 -0.037 0.000 0.662 603 V HN 0.162 nan 8.190 nan 0.000 0.458 604 E N 0.323 120.561 120.200 0.064 0.000 2.147 604 E HA -0.295 4.056 4.350 0.001 0.000 0.199 604 E C 1.873 178.495 176.600 0.036 0.000 1.005 604 E CA 1.779 58.217 56.400 0.063 0.000 0.810 604 E CB -0.190 29.581 29.700 0.118 0.000 0.736 604 E HN 0.560 nan 8.360 nan 0.000 0.460 605 D N -0.112 120.324 120.400 0.060 0.000 2.183 605 D HA -0.111 4.530 4.640 0.001 0.000 0.203 605 D C 1.981 178.238 176.300 -0.072 0.000 0.969 605 D CA 0.684 54.682 54.000 -0.003 0.000 0.842 605 D CB -0.049 40.795 40.800 0.073 0.000 0.957 605 D HN 0.121 nan 8.370 nan 0.000 0.484 606 Q N 0.126 119.949 119.800 0.038 0.000 2.119 606 Q HA -0.033 4.308 4.340 0.001 0.000 0.201 606 Q C 2.546 178.561 176.000 0.025 0.000 0.972 606 Q CA 0.519 56.347 55.803 0.042 0.000 0.847 606 Q CB -0.076 28.730 28.738 0.114 0.000 0.903 606 Q HN 0.424 nan 8.270 nan 0.000 0.433 607 I N 0.759 121.369 120.570 0.066 0.000 2.179 607 I HA -0.267 3.904 4.170 0.001 0.000 0.242 607 I C 2.393 178.461 176.117 -0.082 0.000 1.088 607 I CA 1.258 62.633 61.300 0.125 0.000 1.357 607 I CB -0.237 37.824 38.000 0.102 0.000 1.051 607 I HN 0.142 nan 8.210 nan 0.000 0.409 608 E N 1.428 121.529 120.200 -0.164 0.000 2.110 608 E HA -0.182 4.168 4.350 0.001 0.000 0.193 608 E C 2.107 178.422 176.600 -0.475 0.000 0.988 608 E CA 1.530 57.776 56.400 -0.258 0.000 0.804 608 E CB -0.193 29.380 29.700 -0.213 0.000 0.745 608 E HN 0.411 nan 8.360 nan 0.000 0.458 609 A N 0.939 123.332 122.820 -0.713 0.000 1.883 609 A HA -0.156 4.164 4.320 0.001 0.000 0.217 609 A C 2.479 179.376 177.584 -1.145 0.000 1.186 609 A CA 2.415 53.724 52.037 -1.213 0.000 0.624 609 A CB -1.189 16.899 19.000 -1.520 0.000 0.822 609 A HN 0.394 nan 8.150 nan 0.000 0.444 610 A N -0.237 122.265 122.820 -0.530 0.000 1.883 610 A HA -0.221 4.100 4.320 0.001 0.000 0.217 610 A C 2.249 179.633 177.584 -0.333 0.000 1.186 610 A CA 1.723 53.579 52.037 -0.302 0.000 0.624 610 A CB -0.523 18.297 19.000 -0.299 0.000 0.822 610 A HN 0.584 nan 8.150 nan 0.000 0.444 611 R N -0.886 119.417 120.500 -0.329 0.000 2.096 611 R HA -0.126 4.214 4.340 0.001 0.000 0.235 611 R C 2.347 178.484 176.300 -0.272 0.000 1.127 611 R CA 1.362 57.308 56.100 -0.256 0.000 0.968 611 R CB -0.303 29.876 30.300 -0.202 0.000 0.861 611 R HN 0.553 nan 8.270 nan 0.000 0.440 612 Q N -0.175 119.386 119.800 -0.398 0.000 2.170 612 Q HA -0.122 4.219 4.340 0.001 0.000 0.203 612 Q C 1.932 177.766 176.000 -0.277 0.000 0.976 612 Q CA 1.371 56.950 55.803 -0.373 0.000 0.858 612 Q CB -0.138 28.292 28.738 -0.513 0.000 0.907 612 Q HN 0.307 nan 8.270 nan 0.000 0.433 613 F N 0.609 120.396 119.950 -0.272 0.000 2.293 613 F HA -0.003 4.525 4.527 0.001 0.000 0.297 613 F C 2.500 178.087 175.800 -0.354 0.000 1.089 613 F CA 0.395 58.208 58.000 -0.313 0.000 1.377 613 F CB -0.831 38.027 39.000 -0.237 0.000 1.051 613 F HN -0.073 nan 8.300 nan 0.000 0.511 614 S N -0.238 115.398 115.700 -0.107 0.000 2.368 614 S HA -0.143 4.328 4.470 0.001 0.000 0.225 614 S C 2.062 176.557 174.600 -0.175 0.000 1.030 614 S CA 0.853 58.961 58.200 -0.154 0.000 0.999 614 S CB -0.197 62.918 63.200 -0.142 0.000 0.844 614 S HN 0.172 nan 8.310 nan 0.000 0.459 615 K N 0.895 121.199 120.400 -0.160 0.000 2.360 615 K HA 0.112 4.432 4.320 0.001 0.000 0.201 615 K C 1.519 178.035 176.600 -0.141 0.000 1.046 615 K CA 0.723 56.931 56.287 -0.132 0.000 0.945 615 K CB -0.256 32.177 32.500 -0.113 0.000 0.750 615 K HN 0.455 nan 8.250 nan 0.000 0.464 616 M N -1.235 118.226 119.600 -0.232 0.000 2.558 616 M HA 0.030 4.511 4.480 0.001 0.000 0.255 616 M C 1.155 177.266 176.300 -0.315 0.000 1.113 616 M CA 0.800 55.927 55.300 -0.288 0.000 1.097 616 M CB 0.296 32.591 32.600 -0.507 0.000 1.426 616 M HN 0.272 nan 8.290 nan 0.000 0.488 617 G N 1.230 109.854 108.800 -0.295 0.000 2.184 617 G HA2 -0.297 3.664 3.960 0.001 0.000 0.264 617 G HA3 -0.297 3.664 3.960 0.001 0.000 0.264 617 G C 0.413 175.295 174.900 -0.031 0.000 0.975 617 G CA 0.481 45.505 45.100 -0.128 0.000 0.642 617 G HN 0.685 nan 8.290 nan 0.000 0.536 618 F N -0.685 119.320 119.950 0.090 0.000 2.684 618 F HA 0.778 5.306 4.527 0.001 0.000 0.298 618 F C 0.118 176.021 175.800 0.172 0.000 1.120 618 F CA -1.026 57.059 58.000 0.142 0.000 1.332 618 F CB 0.463 39.608 39.000 0.242 0.000 0.986 618 F HN 0.060 nan 8.300 nan 0.000 0.524 619 V N 1.196 121.134 119.914 0.039 0.000 2.540 619 V HA 0.219 4.339 4.120 0.001 0.000 0.302 619 V C -0.931 175.152 176.094 -0.019 0.000 1.035 619 V CA -0.763 61.559 62.300 0.038 0.000 0.873 619 V CB 1.847 33.625 31.823 -0.075 0.000 0.992 619 V HN 0.099 nan 8.190 nan 0.000 0.428 620 D N 3.751 124.133 120.400 -0.030 0.000 2.352 620 D HA 0.113 4.754 4.640 0.001 0.000 0.245 620 D C 1.056 177.300 176.300 -0.093 0.000 1.224 620 D CA 0.138 54.092 54.000 -0.077 0.000 0.879 620 D CB 0.870 41.601 40.800 -0.115 0.000 1.057 620 D HN 0.450 nan 8.370 nan 0.000 0.491 621 N N 3.077 121.727 118.700 -0.083 0.000 2.137 621 N HA -0.179 4.562 4.740 0.001 0.000 0.190 621 N C 1.125 176.590 175.510 -0.074 0.000 1.017 621 N CA 1.144 54.142 53.050 -0.088 0.000 0.859 621 N CB 0.102 38.542 38.487 -0.078 0.000 1.002 621 N HN 0.482 nan 8.380 nan 0.000 0.428 622 K N -0.254 120.109 120.400 -0.063 0.000 2.439 622 K HA 0.085 4.405 4.320 0.001 0.000 0.197 622 K C 0.075 176.664 176.600 -0.017 0.000 1.041 622 K CA 0.599 56.865 56.287 -0.035 0.000 0.970 622 K CB 0.310 32.792 32.500 -0.030 0.000 0.773 622 K HN 0.100 nan 8.250 nan 0.000 0.479 623 R N 1.147 121.594 120.500 -0.088 0.000 2.629 623 R HA 0.352 4.693 4.340 0.001 0.000 0.277 623 R C -1.057 175.112 176.300 -0.217 0.000 1.637 623 R CA -0.134 55.863 56.100 -0.172 0.000 1.663 623 R CB 0.636 30.632 30.300 -0.507 0.000 1.228 623 R HN -0.000 nan 8.270 nan 0.000 0.632 624 I N 1.150 121.780 120.570 0.099 0.000 2.436 624 I HA 0.578 4.749 4.170 0.001 0.000 0.289 624 I C -0.074 176.345 176.117 0.504 0.000 1.010 624 I CA -0.759 60.656 61.300 0.191 0.000 1.098 624 I CB 2.006 39.972 38.000 -0.056 0.000 1.266 624 I HN 0.346 nan 8.210 nan 0.000 0.434 625 A N 6.770 130.005 122.820 0.691 0.000 2.387 625 A HA 0.932 5.253 4.320 0.001 0.000 0.298 625 A C -1.192 176.770 177.584 0.629 0.000 1.165 625 A CA -0.669 51.752 52.037 0.641 0.000 0.814 625 A CB 2.018 21.270 19.000 0.419 0.000 1.357 625 A HN 0.724 nan 8.150 nan 0.000 0.443 626 I N 0.493 121.322 120.570 0.430 0.000 2.656 626 I HA 0.688 4.859 4.170 0.001 0.000 0.292 626 I C -1.787 174.566 176.117 0.395 0.000 1.144 626 I CA -0.507 60.954 61.300 0.269 0.000 1.038 626 I CB 1.539 39.356 38.000 -0.305 0.000 1.244 626 I HN 0.921 nan 8.210 nan 0.000 0.420 627 W N 7.008 128.423 121.300 0.191 0.000 3.075 627 W HA 0.882 5.542 4.660 0.001 0.000 0.334 627 W C -1.387 175.268 176.519 0.226 0.000 1.243 627 W CA -1.049 56.416 57.345 0.201 0.000 1.170 627 W CB 1.033 30.656 29.460 0.272 0.000 1.452 627 W HN 0.840 nan 8.180 nan 0.000 0.572 628 G N 0.360 109.055 108.800 -0.176 0.000 2.489 628 G HA2 0.435 4.396 3.960 0.001 0.000 0.291 628 G HA3 0.435 4.396 3.960 0.001 0.000 0.291 628 G C -2.830 172.016 174.900 -0.090 0.000 1.487 628 G CA -0.765 44.096 45.100 -0.398 0.000 0.795 628 G HN 0.637 nan 8.290 nan 0.000 0.513 629 W N 0.868 122.047 121.300 -0.202 0.000 2.761 629 W HA 0.653 5.314 4.660 0.001 0.000 0.340 629 W C 0.740 177.297 176.519 0.064 0.000 1.072 629 W CA 0.425 57.739 57.345 -0.051 0.000 1.215 629 W CB 1.911 31.347 29.460 -0.040 0.000 1.420 629 W HN 1.226 nan 8.180 nan 0.000 0.519 630 S N 1.808 117.771 115.700 0.437 0.000 3.961 630 S HA -0.409 4.062 4.470 0.001 0.000 0.627 630 S C 1.064 175.744 174.600 0.133 0.000 2.148 630 S CA 1.502 59.956 58.200 0.424 0.000 4.099 630 S CB -1.784 61.827 63.200 0.685 0.000 0.219 630 S HN 0.735 nan 8.310 nan 0.000 0.744 631 Y N 1.972 122.212 120.300 -0.100 0.000 2.193 631 Y HA -0.110 4.440 4.550 0.001 0.000 0.285 631 Y C 2.319 178.128 175.900 -0.151 0.000 1.166 631 Y CA 2.580 60.561 58.100 -0.199 0.000 1.181 631 Y CB -0.961 37.230 38.460 -0.449 0.000 0.976 631 Y HN 0.563 nan 8.280 nan 0.000 0.520 632 G N -0.921 107.863 108.800 -0.027 0.000 2.442 632 G HA2 -0.267 3.693 3.960 0.001 0.000 0.219 632 G HA3 -0.267 3.693 3.960 0.001 0.000 0.219 632 G C 1.874 176.791 174.900 0.028 0.000 1.141 632 G CA 0.787 45.914 45.100 0.045 0.000 0.763 632 G HN 0.576 nan 8.290 nan 0.000 0.554 633 G N -0.208 108.614 108.800 0.037 0.000 2.422 633 G HA2 -0.248 3.713 3.960 0.001 0.000 0.218 633 G HA3 -0.248 3.713 3.960 0.001 0.000 0.218 633 G C 1.589 176.501 174.900 0.020 0.000 1.146 633 G CA 1.059 46.168 45.100 0.016 0.000 0.769 633 G HN 0.502 nan 8.290 nan 0.000 0.547 634 Y N 1.017 121.204 120.300 -0.187 0.000 2.163 634 Y HA -0.131 4.420 4.550 0.001 0.000 0.288 634 Y C 2.794 178.588 175.900 -0.176 0.000 1.136 634 Y CA 1.685 59.628 58.100 -0.262 0.000 1.147 634 Y CB -0.105 38.049 38.460 -0.510 0.000 0.987 634 Y HN 0.039 nan 8.280 nan 0.000 0.509 635 V N -0.165 119.628 119.914 -0.202 0.000 2.295 635 V HA -0.323 3.798 4.120 0.001 0.000 0.246 635 V C 2.291 178.263 176.094 -0.202 0.000 1.049 635 V CA 2.356 64.518 62.300 -0.230 0.000 1.024 635 V CB -1.222 30.608 31.823 0.011 0.000 0.648 635 V HN 0.485 nan 8.190 nan 0.000 0.447 636 T N 0.195 114.686 114.554 -0.106 0.000 2.635 636 T HA -0.234 4.117 4.350 0.001 0.000 0.267 636 T C 2.138 176.787 174.700 -0.085 0.000 1.040 636 T CA 2.187 64.239 62.100 -0.079 0.000 1.156 636 T CB -0.334 68.559 68.868 0.041 0.000 0.863 636 T HN 0.538 nan 8.240 nan 0.000 0.430 637 S N 0.975 116.655 115.700 -0.033 0.000 2.368 637 S HA -0.011 4.459 4.470 0.001 0.000 0.225 637 S C 2.127 176.644 174.600 -0.137 0.000 1.030 637 S CA 0.963 59.169 58.200 0.011 0.000 0.999 637 S CB -0.275 62.967 63.200 0.070 0.000 0.844 637 S HN 0.360 nan 8.310 nan 0.000 0.459 638 M N 0.793 120.219 119.600 -0.289 0.000 2.229 638 M HA 0.000 4.481 4.480 0.001 0.000 0.264 638 M C 2.145 178.285 176.300 -0.267 0.000 1.063 638 M CA 0.974 56.082 55.300 -0.319 0.000 1.114 638 M CB -1.192 31.108 32.600 -0.499 0.000 1.387 638 M HN 0.185 nan 8.290 nan 0.000 0.420 639 V N 0.623 120.376 119.914 -0.269 0.000 2.379 639 V HA -0.211 3.909 4.120 0.001 0.000 0.245 639 V C 2.497 178.421 176.094 -0.284 0.000 1.044 639 V CA 1.241 63.387 62.300 -0.256 0.000 1.036 639 V CB -0.563 31.034 31.823 -0.377 0.000 0.664 639 V HN 0.391 nan 8.190 nan 0.000 0.453 640 L N 0.470 121.469 121.223 -0.373 0.000 2.083 640 L HA -0.085 4.256 4.340 0.001 0.000 0.209 640 L C 2.333 178.722 176.870 -0.803 0.000 1.083 640 L CA 1.742 56.285 54.840 -0.495 0.000 0.752 640 L CB -0.866 40.891 42.059 -0.503 0.000 0.899 640 L HN 0.498 nan 8.230 nan 0.000 0.433 641 G N -1.265 106.984 108.800 -0.917 0.000 3.026 641 G HA2 -0.098 3.863 3.960 0.001 0.000 0.208 641 G HA3 -0.098 3.863 3.960 0.001 0.000 0.208 641 G C 1.584 176.305 174.900 -0.299 0.000 1.169 641 G CA 0.632 45.307 45.100 -0.709 0.000 0.788 641 G HN 0.461 nan 8.290 nan 0.000 0.533 642 S N -0.329 115.229 115.700 -0.237 0.000 2.461 642 S HA 0.259 4.730 4.470 0.001 0.000 0.228 642 S C 1.970 176.519 174.600 -0.085 0.000 1.005 642 S CA 1.090 59.215 58.200 -0.125 0.000 0.942 642 S CB -0.271 62.877 63.200 -0.085 0.000 0.776 642 S HN 1.410 nan 8.310 nan 0.000 0.514 643 G N 1.206 109.948 108.800 -0.097 0.000 2.176 643 G HA2 -0.332 3.629 3.960 0.001 0.000 0.252 643 G HA3 -0.332 3.629 3.960 0.001 0.000 0.252 643 G C 0.923 175.807 174.900 -0.027 0.000 1.024 643 G CA 1.030 46.095 45.100 -0.057 0.000 0.755 643 G HN 1.284 nan 8.290 nan 0.000 0.507 644 S N -0.815 114.880 115.700 -0.008 0.000 2.387 644 S HA 0.311 4.781 4.470 0.001 0.000 0.226 644 S C 2.506 177.105 174.600 -0.002 0.000 1.026 644 S CA 1.782 59.988 58.200 0.010 0.000 0.972 644 S CB -0.212 63.023 63.200 0.059 0.000 0.814 644 S HN 2.421 nan 8.310 nan 0.000 0.477 645 G N -0.172 108.634 108.800 0.010 0.000 2.176 645 G HA2 -0.260 3.700 3.960 0.001 0.000 0.253 645 G HA3 -0.260 3.700 3.960 0.001 0.000 0.253 645 G C 0.730 175.609 174.900 -0.034 0.000 0.979 645 G CA 0.378 45.475 45.100 -0.005 0.000 0.641 645 G HN 0.750 nan 8.290 nan 0.000 0.530 646 V N -0.693 119.184 119.914 -0.062 0.000 2.649 646 V HA 0.318 4.439 4.120 0.001 0.000 0.248 646 V C 1.052 176.916 176.094 -0.382 0.000 1.054 646 V CA 1.282 63.418 62.300 -0.273 0.000 1.073 646 V CB -0.274 31.293 31.823 -0.426 0.000 0.699 646 V HN 0.289 nan 8.190 nan 0.000 0.463 647 F N 0.144 120.111 119.950 0.028 0.000 2.427 647 F HA 0.410 4.938 4.527 0.001 0.000 0.346 647 F C 1.099 176.950 175.800 0.085 0.000 1.120 647 F CA -0.553 57.493 58.000 0.076 0.000 1.033 647 F CB 1.597 40.643 39.000 0.076 0.000 1.126 647 F HN -0.245 nan 8.300 nan 0.000 0.462 648 K N 2.121 122.688 120.400 0.279 0.000 1.984 648 K HA -0.032 4.288 4.320 0.001 0.000 0.209 648 K C 0.229 176.969 176.600 0.234 0.000 1.046 648 K CA 1.401 57.819 56.287 0.219 0.000 0.934 648 K CB 0.147 32.788 32.500 0.235 0.000 0.717 648 K HN 0.796 nan 8.250 nan 0.000 0.438 649 c N -2.700 116.076 118.600 0.293 0.000 3.285 649 c HA 0.924 5.495 4.570 0.001 0.000 0.320 649 c C -0.017 174.303 174.090 0.383 0.000 1.411 649 c CA -0.589 55.929 56.329 0.316 0.000 1.429 649 c CB 1.104 43.738 42.510 0.208 0.000 1.812 649 c HN 0.450 nan 8.230 nan 0.000 0.454 650 G N -0.244 108.837 108.800 0.468 0.000 2.660 650 G HA2 0.730 4.690 3.960 0.001 0.000 0.290 650 G HA3 0.730 4.690 3.960 0.001 0.000 0.290 650 G C -1.949 173.152 174.900 0.335 0.000 1.432 650 G CA -0.744 44.602 45.100 0.410 0.000 0.807 650 G HN 0.959 nan 8.290 nan 0.000 0.485 651 I N 0.617 121.342 120.570 0.259 0.000 2.436 651 I HA 0.607 4.778 4.170 0.001 0.000 0.289 651 I C 0.054 176.252 176.117 0.136 0.000 1.010 651 I CA -0.987 60.333 61.300 0.032 0.000 1.098 651 I CB 2.202 40.219 38.000 0.028 0.000 1.266 651 I HN 0.624 nan 8.210 nan 0.000 0.434 652 A N 6.568 129.363 122.820 -0.042 0.000 2.291 652 A HA 0.741 5.062 4.320 0.001 0.000 0.311 652 A C -0.742 176.746 177.584 -0.160 0.000 1.224 652 A CA -0.497 51.539 52.037 -0.003 0.000 0.821 652 A CB 1.105 20.169 19.000 0.106 0.000 1.172 652 A HN 0.437 nan 8.150 nan 0.000 0.494 653 V N 2.151 121.921 119.914 -0.241 0.000 2.427 653 V HA 0.549 4.670 4.120 0.001 0.000 0.286 653 V C 1.069 176.770 176.094 -0.655 0.000 1.034 653 V CA 0.260 62.201 62.300 -0.598 0.000 0.893 653 V CB 0.928 32.090 31.823 -1.101 0.000 0.982 653 V HN 1.995 nan 8.190 nan 0.000 0.452 654 A N 5.824 128.226 122.820 -0.697 0.000 2.208 654 A HA -0.115 4.205 4.320 0.001 0.000 0.277 654 A C -1.724 175.662 177.584 -0.329 0.000 1.377 654 A CA 0.374 51.894 52.037 -0.862 0.000 0.758 654 A CB -1.524 17.097 19.000 -0.632 0.000 1.122 654 A HN 0.629 nan 8.150 nan 0.000 0.350 655 P HA 0.443 nan 4.420 nan 0.000 0.276 655 P C 0.151 177.393 177.300 -0.097 0.000 1.252 655 P CA -0.349 62.703 63.100 -0.080 0.000 0.802 655 P CB 1.095 32.782 31.700 -0.023 0.000 1.035 656 V N 1.188 120.955 119.914 -0.245 0.000 2.686 656 V HA 0.158 4.278 4.120 0.001 0.000 0.295 656 V C 1.713 177.618 176.094 -0.316 0.000 1.057 656 V CA 0.799 62.825 62.300 -0.457 0.000 1.012 656 V CB 0.956 32.116 31.823 -1.105 0.000 1.006 656 V HN 0.862 nan 8.190 nan 0.000 0.477 657 S N 3.878 119.417 115.700 -0.268 0.000 2.731 657 S HA 0.270 4.740 4.470 0.001 0.000 0.244 657 S C 0.471 174.904 174.600 -0.278 0.000 1.084 657 S CA -0.339 57.776 58.200 -0.143 0.000 0.877 657 S CB 0.389 63.585 63.200 -0.007 0.000 0.798 657 S HN 0.820 nan 8.310 nan 0.000 0.496 658 R N -1.391 118.827 120.500 -0.469 0.000 2.668 658 R HA 0.523 4.864 4.340 0.001 0.000 0.272 658 R C -0.813 175.155 176.300 -0.553 0.000 1.019 658 R CA -0.930 54.829 56.100 -0.569 0.000 0.894 658 R CB 0.049 30.057 30.300 -0.487 0.000 1.228 658 R HN 0.189 nan 8.270 nan 0.000 0.460 659 W N 0.957 122.154 121.300 -0.171 0.000 2.421 659 W HA -0.030 4.631 4.660 0.001 0.000 0.270 659 W C 1.068 177.712 176.519 0.209 0.000 1.233 659 W CA 0.766 58.110 57.345 -0.002 0.000 1.226 659 W CB 0.120 29.506 29.460 -0.124 0.000 1.121 659 W HN 0.745 nan 8.180 nan 0.000 0.579 660 E N -0.883 119.494 120.200 0.294 0.000 2.331 660 E HA -0.211 4.140 4.350 0.001 0.000 0.199 660 E C 1.296 178.056 176.600 0.268 0.000 1.008 660 E CA 1.089 57.601 56.400 0.187 0.000 0.843 660 E CB -0.426 29.276 29.700 0.003 0.000 0.761 660 E HN 0.369 nan 8.360 nan 0.000 0.507 661 Y N -1.603 118.794 120.300 0.163 0.000 2.523 661 Y HA 0.114 4.665 4.550 0.001 0.000 0.279 661 Y C 0.548 176.552 175.900 0.172 0.000 1.139 661 Y CA -0.444 57.722 58.100 0.109 0.000 1.296 661 Y CB -0.462 38.007 38.460 0.014 0.000 1.045 661 Y HN 0.017 nan 8.280 nan 0.000 0.538 662 Y N 1.815 122.278 120.300 0.272 0.000 2.458 662 Y HA 0.310 4.861 4.550 0.001 0.000 0.322 662 Y C 0.273 176.395 175.900 0.370 0.000 1.259 662 Y CA -2.256 56.013 58.100 0.282 0.000 1.302 662 Y CB 0.450 39.110 38.460 0.332 0.000 1.314 662 Y HN 0.171 nan 8.280 nan 0.000 0.509 663 D N -0.387 119.759 120.400 -0.423 0.000 2.419 663 D HA 0.022 4.662 4.640 0.001 0.000 0.236 663 D C 0.899 177.196 176.300 -0.005 0.000 1.165 663 D CA 0.546 54.373 54.000 -0.288 0.000 0.882 663 D CB 0.772 41.199 40.800 -0.623 0.000 1.201 663 D HN 0.479 nan 8.370 nan 0.000 0.443 664 S N 0.912 116.613 115.700 0.001 0.000 2.383 664 S HA -0.173 4.298 4.470 0.001 0.000 0.227 664 S C 1.868 176.495 174.600 0.045 0.000 1.026 664 S CA 0.924 59.169 58.200 0.075 0.000 0.981 664 S CB -0.745 62.505 63.200 0.084 0.000 0.818 664 S HN 0.425 nan 8.310 nan 0.000 0.472 665 V N 0.531 120.408 119.914 -0.061 0.000 2.358 665 V HA -0.102 4.019 4.120 0.001 0.000 0.246 665 V C 2.220 178.233 176.094 -0.136 0.000 1.047 665 V CA 1.868 64.042 62.300 -0.208 0.000 1.035 665 V CB -0.972 30.561 31.823 -0.484 0.000 0.658 665 V HN 0.571 nan 8.190 nan 0.000 0.452 666 Y N 1.351 121.595 120.300 -0.093 0.000 2.114 666 Y HA -0.216 4.334 4.550 0.001 0.000 0.284 666 Y C 2.782 178.681 175.900 -0.002 0.000 1.119 666 Y CA 2.381 60.506 58.100 0.042 0.000 1.108 666 Y CB -0.595 38.078 38.460 0.356 0.000 0.995 666 Y HN 0.164 nan 8.280 nan 0.000 0.491 667 T N 0.530 115.301 114.554 0.362 0.000 2.635 667 T HA -0.246 4.105 4.350 0.001 0.000 0.267 667 T C 1.544 176.219 174.700 -0.041 0.000 1.040 667 T CA 2.144 64.372 62.100 0.213 0.000 1.156 667 T CB -0.367 68.769 68.868 0.446 0.000 0.863 667 T HN 0.446 nan 8.240 nan 0.000 0.430 668 E N 0.268 120.466 120.200 -0.003 0.000 2.268 668 E HA -0.046 4.305 4.350 0.001 0.000 0.195 668 E C 2.351 178.830 176.600 -0.202 0.000 0.995 668 E CA 0.305 56.695 56.400 -0.018 0.000 0.836 668 E CB -0.090 29.645 29.700 0.059 0.000 0.763 668 E HN 0.318 nan 8.360 nan 0.000 0.491 669 R N 0.108 120.326 120.500 -0.470 0.000 2.103 669 R HA -0.194 4.146 4.340 0.001 0.000 0.242 669 R C 1.158 176.934 176.300 -0.872 0.000 1.142 669 R CA 1.641 57.256 56.100 -0.808 0.000 0.960 669 R CB -0.005 29.437 30.300 -1.430 0.000 0.858 669 R HN 0.270 nan 8.270 nan 0.000 0.439 670 Y N -2.380 117.622 120.300 -0.497 0.000 2.481 670 Y HA 0.227 4.778 4.550 0.001 0.000 0.258 670 Y C 1.590 177.316 175.900 -0.290 0.000 1.103 670 Y CA -0.059 57.758 58.100 -0.472 0.000 1.287 670 Y CB 0.551 38.607 38.460 -0.674 0.000 1.108 670 Y HN -0.043 nan 8.280 nan 0.000 0.529 671 M N -0.494 119.012 119.600 -0.158 0.000 2.292 671 M HA 0.368 4.849 4.480 0.001 0.000 0.286 671 M C 1.067 177.398 176.300 0.050 0.000 1.002 671 M CA 0.671 55.881 55.300 -0.149 0.000 1.029 671 M CB -0.043 32.303 32.600 -0.422 0.000 1.537 671 M HN 0.316 nan 8.290 nan 0.000 0.543 672 G N 2.025 110.859 108.800 0.057 0.000 2.641 672 G HA2 -0.217 3.744 3.960 0.001 0.000 0.254 672 G HA3 -0.217 3.744 3.960 0.001 0.000 0.254 672 G C -0.489 174.541 174.900 0.216 0.000 1.315 672 G CA -0.781 44.387 45.100 0.113 0.000 0.907 672 G HN 0.236 nan 8.290 nan 0.000 0.572 673 L N 2.078 123.392 121.223 0.151 0.000 2.417 673 L HA 0.434 4.775 4.340 0.001 0.000 0.268 673 L C -1.279 175.612 176.870 0.034 0.000 1.158 673 L CA -1.794 53.098 54.840 0.087 0.000 0.819 673 L CB 0.668 42.745 42.059 0.030 0.000 1.112 673 L HN 0.427 nan 8.230 nan 0.000 0.458 674 P HA 0.140 nan 4.420 nan 0.000 0.214 674 P C -0.628 176.522 177.300 -0.250 0.000 1.826 674 P CA -0.179 62.530 63.100 -0.652 0.000 0.977 674 P CB -0.261 30.718 31.700 -1.201 0.000 1.930 675 T N -3.110 111.389 114.554 -0.092 0.000 2.916 675 T HA 0.491 4.841 4.350 0.001 0.000 0.292 675 T C -2.338 172.362 174.700 0.000 0.000 1.055 675 T CA -2.537 59.538 62.100 -0.042 0.000 1.009 675 T CB 1.811 70.663 68.868 -0.026 0.000 1.118 675 T HN -0.320 nan 8.240 nan 0.000 0.497 676 P HA -0.077 nan 4.420 nan 0.000 0.218 676 P C 0.909 178.223 177.300 0.024 0.000 1.146 676 P CA 1.085 64.196 63.100 0.018 0.000 0.813 676 P CB 0.080 31.787 31.700 0.012 0.000 0.778 677 E N -1.593 118.618 120.200 0.018 0.000 2.285 677 E HA -0.083 4.268 4.350 0.001 0.000 0.194 677 E C 1.431 178.048 176.600 0.030 0.000 0.997 677 E CA 0.783 57.194 56.400 0.019 0.000 0.845 677 E CB -0.323 29.384 29.700 0.011 0.000 0.782 677 E HN 0.280 nan 8.360 nan 0.000 0.491 678 D N -0.903 119.522 120.400 0.041 0.000 2.949 678 D HA 0.079 4.720 4.640 0.001 0.000 0.247 678 D C 0.288 176.645 176.300 0.095 0.000 1.552 678 D CA 0.305 54.342 54.000 0.062 0.000 1.231 678 D CB 0.138 40.977 40.800 0.066 0.000 0.990 678 D HN -0.034 nan 8.370 nan 0.000 0.270 679 N N -0.237 118.551 118.700 0.147 0.000 2.301 679 N HA 0.087 4.827 4.740 0.001 0.000 0.247 679 N C 0.830 176.543 175.510 0.337 0.000 1.347 679 N CA -0.049 53.139 53.050 0.230 0.000 0.844 679 N CB 0.212 38.858 38.487 0.264 0.000 1.332 679 N HN 0.049 nan 8.380 nan 0.000 0.494 680 L N 0.529 121.866 121.223 0.190 0.000 2.043 680 L HA -0.138 4.202 4.340 0.001 0.000 0.212 680 L C 1.260 178.243 176.870 0.188 0.000 1.075 680 L CA 2.010 56.934 54.840 0.140 0.000 0.752 680 L CB -0.332 41.746 42.059 0.032 0.000 0.891 680 L HN 0.179 nan 8.230 nan 0.000 0.432 681 D N -1.453 119.038 120.400 0.152 0.000 2.106 681 D HA -0.275 4.366 4.640 0.001 0.000 0.191 681 D C 2.084 178.476 176.300 0.154 0.000 0.997 681 D CA 1.935 56.012 54.000 0.127 0.000 0.834 681 D CB -0.270 40.594 40.800 0.106 0.000 0.956 681 D HN 0.591 nan 8.370 nan 0.000 0.448 682 H N -0.881 118.257 119.070 0.113 0.000 2.462 682 H HA -0.061 4.496 4.556 0.001 0.000 0.292 682 H C 1.770 177.155 175.328 0.095 0.000 1.049 682 H CA 1.143 57.234 56.048 0.072 0.000 1.334 682 H CB -0.267 29.506 29.762 0.017 0.000 1.404 682 H HN 0.150 nan 8.280 nan 0.000 0.544 683 Y N 0.602 120.905 120.300 0.005 0.000 2.128 683 Y HA -0.231 4.320 4.550 0.001 0.000 0.284 683 Y C 2.665 178.525 175.900 -0.067 0.000 1.154 683 Y CA 1.916 60.014 58.100 -0.004 0.000 1.149 683 Y CB -0.076 38.411 38.460 0.044 0.000 0.976 683 Y HN 0.149 nan 8.280 nan 0.000 0.505 684 R N -0.188 120.385 120.500 0.123 0.000 2.115 684 R HA -0.141 4.200 4.340 0.001 0.000 0.230 684 R C 1.702 177.988 176.300 -0.023 0.000 1.111 684 R CA 1.562 57.684 56.100 0.037 0.000 0.976 684 R CB -0.392 29.933 30.300 0.042 0.000 0.870 684 R HN 0.515 nan 8.270 nan 0.000 0.445 685 N N -0.114 118.542 118.700 -0.072 0.000 2.463 685 N HA -0.056 4.684 4.740 0.001 0.000 0.181 685 N C 0.605 176.029 175.510 -0.143 0.000 1.078 685 N CA 0.744 53.742 53.050 -0.087 0.000 0.902 685 N CB 0.321 38.790 38.487 -0.031 0.000 0.970 685 N HN 0.146 nan 8.380 nan 0.000 0.451 686 S N -0.064 115.499 115.700 -0.229 0.000 2.583 686 S HA 0.038 4.509 4.470 0.001 0.000 0.239 686 S C 0.609 175.227 174.600 0.030 0.000 0.966 686 S CA -0.729 57.393 58.200 -0.131 0.000 0.973 686 S CB -0.193 62.858 63.200 -0.248 0.000 0.794 686 S HN 0.136 nan 8.310 nan 0.000 0.463 687 T N -0.977 113.561 114.554 -0.026 0.000 2.913 687 T HA 0.460 4.810 4.350 0.001 0.000 0.287 687 T C 1.362 176.051 174.700 -0.018 0.000 1.008 687 T CA -0.156 61.922 62.100 -0.037 0.000 1.067 687 T CB 1.492 70.313 68.868 -0.079 0.000 0.996 687 T HN 0.458 nan 8.240 nan 0.000 0.513 688 V N 1.782 121.684 119.914 -0.020 0.000 2.788 688 V HA 0.021 4.142 4.120 0.001 0.000 0.251 688 V C 2.263 178.324 176.094 -0.055 0.000 1.068 688 V CA 1.149 63.429 62.300 -0.034 0.000 1.090 688 V CB -1.124 30.675 31.823 -0.040 0.000 0.710 688 V HN 0.838 nan 8.190 nan 0.000 0.467 689 M N 2.567 122.120 119.600 -0.078 0.000 2.089 689 M HA -0.170 4.310 4.480 0.001 0.000 0.257 689 M C 2.474 178.742 176.300 -0.053 0.000 1.071 689 M CA 2.612 57.860 55.300 -0.087 0.000 1.096 689 M CB -0.980 31.583 32.600 -0.061 0.000 1.330 689 M HN 0.758 nan 8.290 nan 0.000 0.403 690 S N -0.473 115.208 115.700 -0.033 0.000 2.507 690 S HA -0.083 4.388 4.470 0.001 0.000 0.235 690 S C 1.691 176.292 174.600 0.001 0.000 0.988 690 S CA 0.726 58.916 58.200 -0.017 0.000 0.944 690 S CB -0.471 62.718 63.200 -0.018 0.000 0.762 690 S HN 0.541 nan 8.310 nan 0.000 0.526 691 R N 0.243 120.756 120.500 0.022 0.000 2.427 691 R HA 0.449 4.789 4.340 0.001 0.000 0.262 691 R C 2.143 178.549 176.300 0.176 0.000 0.943 691 R CA 0.410 56.551 56.100 0.068 0.000 1.081 691 R CB -0.173 30.161 30.300 0.057 0.000 1.166 691 R HN 0.477 nan 8.270 nan 0.000 0.534 692 A N 1.739 124.611 122.820 0.087 0.000 1.873 692 A HA -0.298 4.023 4.320 0.001 0.000 0.218 692 A C 2.055 179.727 177.584 0.147 0.000 1.193 692 A CA 2.019 54.080 52.037 0.040 0.000 0.629 692 A CB -0.344 18.603 19.000 -0.088 0.000 0.826 692 A HN 0.321 nan 8.150 nan 0.000 0.447 693 E N 0.710 120.960 120.200 0.084 0.000 2.171 693 E HA -0.191 4.159 4.350 0.001 0.000 0.197 693 E C 1.564 178.218 176.600 0.090 0.000 0.997 693 E CA 1.764 58.208 56.400 0.074 0.000 0.810 693 E CB -0.363 29.361 29.700 0.041 0.000 0.738 693 E HN 0.687 nan 8.360 nan 0.000 0.467 694 N N -0.634 118.115 118.700 0.081 0.000 2.521 694 N HA -0.068 4.673 4.740 0.001 0.000 0.188 694 N C 0.470 175.939 175.510 -0.068 0.000 1.146 694 N CA 0.298 53.343 53.050 -0.008 0.000 0.893 694 N CB -0.039 38.401 38.487 -0.079 0.000 0.975 694 N HN 0.232 nan 8.380 nan 0.000 0.451 695 F N 1.594 121.496 119.950 -0.079 0.000 2.699 695 F HA 0.062 4.590 4.527 0.001 0.000 0.298 695 F C 1.995 177.798 175.800 0.006 0.000 1.154 695 F CA 0.574 58.524 58.000 -0.083 0.000 1.457 695 F CB 0.087 38.983 39.000 -0.174 0.000 1.106 695 F HN -0.112 nan 8.300 nan 0.000 0.585 696 K N -0.007 120.485 120.400 0.153 0.000 2.360 696 K HA -0.170 4.151 4.320 0.001 0.000 0.201 696 K C 1.398 178.048 176.600 0.083 0.000 1.046 696 K CA 0.965 57.323 56.287 0.118 0.000 0.945 696 K CB -0.206 32.346 32.500 0.087 0.000 0.750 696 K HN 0.428 nan 8.250 nan 0.000 0.464 697 Q N 0.355 120.179 119.800 0.041 0.000 2.360 697 Q HA 0.045 4.385 4.340 0.001 0.000 0.202 697 Q C 0.053 176.079 176.000 0.043 0.000 0.915 697 Q CA -0.020 55.798 55.803 0.025 0.000 0.943 697 Q CB 0.687 29.418 28.738 -0.013 0.000 1.064 697 Q HN 0.123 nan 8.270 nan 0.000 0.511 698 V N -3.370 116.589 119.914 0.074 0.000 3.188 698 V HA 0.461 4.581 4.120 0.001 0.000 0.305 698 V C -1.410 174.820 176.094 0.227 0.000 1.232 698 V CA -1.412 60.965 62.300 0.129 0.000 1.043 698 V CB 2.254 34.127 31.823 0.084 0.000 1.068 698 V HN -0.033 nan 8.190 nan 0.000 0.439 699 E N 1.732 122.091 120.200 0.266 0.000 2.167 699 E HA 0.501 4.852 4.350 0.001 0.000 0.284 699 E C -1.683 175.283 176.600 0.611 0.000 1.016 699 E CA -0.238 56.385 56.400 0.372 0.000 0.817 699 E CB 1.486 31.319 29.700 0.222 0.000 1.080 699 E HN 0.691 nan 8.360 nan 0.000 0.397 700 Y N 3.585 124.156 120.300 0.452 0.000 2.361 700 Y HA 0.451 5.001 4.550 0.001 0.000 0.337 700 Y C -1.764 174.247 175.900 0.186 0.000 0.965 700 Y CA -1.540 56.770 58.100 0.350 0.000 1.091 700 Y CB 1.022 39.720 38.460 0.397 0.000 1.182 700 Y HN 0.437 nan 8.280 nan 0.000 0.450 701 L N 7.971 128.846 121.223 -0.580 0.000 2.319 701 L HA 0.627 4.968 4.340 0.001 0.000 0.281 701 L C -2.176 174.228 176.870 -0.776 0.000 1.005 701 L CA -0.820 53.565 54.840 -0.759 0.000 0.828 701 L CB 1.281 42.510 42.059 -1.383 0.000 1.227 701 L HN 0.668 nan 8.230 nan 0.000 0.415 702 L N 6.630 127.521 121.223 -0.553 0.000 2.333 702 L HA 0.703 5.043 4.340 0.001 0.000 0.280 702 L C -1.171 175.589 176.870 -0.183 0.000 1.004 702 L CA -0.064 54.519 54.840 -0.429 0.000 0.820 702 L CB 1.273 43.136 42.059 -0.327 0.000 1.247 702 L HN 0.591 nan 8.230 nan 0.000 0.416 703 I N 4.446 124.917 120.570 -0.165 0.000 2.545 703 I HA 0.479 4.649 4.170 0.001 0.000 0.292 703 I C -1.081 175.038 176.117 0.002 0.000 1.040 703 I CA -0.715 60.544 61.300 -0.068 0.000 1.068 703 I CB 2.025 39.948 38.000 -0.129 0.000 1.251 703 I HN 0.692 nan 8.210 nan 0.000 0.424 704 H N 2.103 121.231 119.070 0.098 0.000 3.079 704 H HA 0.527 5.084 4.556 0.001 0.000 0.356 704 H C -0.444 175.123 175.328 0.398 0.000 1.221 704 H CA -0.632 55.524 56.048 0.180 0.000 1.185 704 H CB 2.175 31.996 29.762 0.097 0.000 1.882 704 H HN 0.754 nan 8.280 nan 0.000 0.543 705 G N 0.494 109.669 108.800 0.625 0.000 2.395 705 G HA2 0.257 4.218 3.960 0.001 0.000 0.283 705 G HA3 0.257 4.218 3.960 0.001 0.000 0.283 705 G C 1.070 176.240 174.900 0.451 0.000 1.178 705 G CA 0.118 45.520 45.100 0.503 0.000 0.837 705 G HN 0.735 nan 8.290 nan 0.000 0.518 706 T N -0.804 113.855 114.554 0.173 0.000 2.942 706 T HA 0.080 4.431 4.350 0.001 0.000 0.265 706 T C 1.835 176.513 174.700 -0.037 0.000 1.062 706 T CA 1.235 63.259 62.100 -0.126 0.000 1.139 706 T CB 0.060 68.815 68.868 -0.188 0.000 0.883 706 T HN 0.692 nan 8.240 nan 0.000 0.468 707 A N 1.474 124.348 122.820 0.091 0.000 2.734 707 A HA 0.292 4.613 4.320 0.001 0.000 0.279 707 A C 0.371 177.990 177.584 0.058 0.000 1.386 707 A CA -0.446 51.672 52.037 0.135 0.000 0.987 707 A CB -0.638 18.622 19.000 0.434 0.000 1.041 707 A HN 0.392 nan 8.150 nan 0.000 0.569 708 D N 1.192 121.594 120.400 0.003 0.000 2.336 708 D HA 0.033 4.674 4.640 0.001 0.000 0.249 708 D C 0.544 176.819 176.300 -0.042 0.000 1.213 708 D CA -0.116 53.981 54.000 0.162 0.000 0.870 708 D CB 0.722 41.767 40.800 0.408 0.000 1.076 708 D HN 0.562 nan 8.370 nan 0.000 0.483 709 D N 2.215 122.653 120.400 0.064 0.000 2.323 709 D HA -0.118 4.523 4.640 0.001 0.000 0.209 709 D C 0.986 177.305 176.300 0.031 0.000 0.973 709 D CA 0.231 54.209 54.000 -0.035 0.000 0.874 709 D CB 0.346 41.067 40.800 -0.132 0.000 0.930 709 D HN 0.444 nan 8.370 nan 0.000 0.521 710 N N 0.096 118.930 118.700 0.222 0.000 2.349 710 N HA -0.062 4.679 4.740 0.001 0.000 0.202 710 N C 0.245 175.789 175.510 0.057 0.000 1.041 710 N CA 0.153 53.394 53.050 0.319 0.000 0.970 710 N CB 0.784 39.448 38.487 0.296 0.000 1.173 710 N HN -0.049 nan 8.380 nan 0.000 0.493 711 V N 2.499 122.446 119.914 0.054 0.000 2.334 711 V HA 0.262 4.383 4.120 0.001 0.000 0.267 711 V C -1.061 175.125 176.094 0.153 0.000 1.040 711 V CA -0.550 61.780 62.300 0.050 0.000 0.866 711 V CB -0.180 31.658 31.823 0.026 0.000 1.019 711 V HN 0.319 nan 8.190 nan 0.000 0.468 712 H N 4.936 124.027 119.070 0.036 0.000 2.790 712 H HA 0.094 4.650 4.556 0.001 0.000 0.358 712 H C 0.529 175.762 175.328 -0.158 0.000 1.103 712 H CA 0.619 56.603 56.048 -0.107 0.000 1.426 712 H CB 0.781 30.381 29.762 -0.271 0.000 1.424 712 H HN 0.774 nan 8.280 nan 0.000 0.599 713 F N 1.780 121.545 119.950 -0.308 0.000 2.202 713 F HA -0.291 4.236 4.527 0.001 0.000 0.301 713 F C 2.605 178.133 175.800 -0.453 0.000 1.082 713 F CA 1.712 59.288 58.000 -0.707 0.000 1.313 713 F CB -0.187 38.578 39.000 -0.391 0.000 1.024 713 F HN 0.678 nan 8.300 nan 0.000 0.495 714 Q N 0.244 119.934 119.800 -0.183 0.000 2.165 714 Q HA -0.371 3.970 4.340 0.001 0.000 0.215 714 Q C 2.125 177.911 176.000 -0.356 0.000 1.010 714 Q CA 2.718 58.355 55.803 -0.276 0.000 0.896 714 Q CB -0.457 28.093 28.738 -0.313 0.000 0.956 714 Q HN 0.597 nan 8.270 nan 0.000 0.413 715 Q N -0.466 119.177 119.800 -0.263 0.000 2.061 715 Q HA -0.138 4.203 4.340 0.001 0.000 0.204 715 Q C 2.328 178.244 176.000 -0.139 0.000 0.984 715 Q CA 1.736 57.495 55.803 -0.073 0.000 0.846 715 Q CB -0.149 28.624 28.738 0.058 0.000 0.902 715 Q HN 0.349 nan 8.270 nan 0.000 0.421 716 S N 0.510 116.025 115.700 -0.308 0.000 2.387 716 S HA -0.040 4.430 4.470 0.001 0.000 0.226 716 S C 2.038 176.392 174.600 -0.411 0.000 1.026 716 S CA 0.742 58.743 58.200 -0.332 0.000 0.972 716 S CB -0.132 62.846 63.200 -0.368 0.000 0.814 716 S HN 0.478 nan 8.310 nan 0.000 0.477 717 A N 1.473 123.958 122.820 -0.558 0.000 1.908 717 A HA -0.172 4.148 4.320 0.001 0.000 0.218 717 A C 2.106 179.591 177.584 -0.164 0.000 1.181 717 A CA 1.318 53.168 52.037 -0.312 0.000 0.627 717 A CB -0.502 18.376 19.000 -0.202 0.000 0.818 717 A HN 0.404 nan 8.150 nan 0.000 0.445 718 Q N -0.503 119.207 119.800 -0.149 0.000 2.230 718 Q HA -0.018 4.322 4.340 0.001 0.000 0.202 718 Q C 2.128 178.073 176.000 -0.091 0.000 0.963 718 Q CA 0.989 56.752 55.803 -0.065 0.000 0.866 718 Q CB -0.320 28.446 28.738 0.047 0.000 0.931 718 Q HN 0.801 nan 8.270 nan 0.000 0.452 719 I N 1.061 121.548 120.570 -0.138 0.000 2.133 719 I HA -0.274 3.897 4.170 0.001 0.000 0.238 719 I C 2.568 178.519 176.117 -0.276 0.000 1.074 719 I CA 1.435 62.606 61.300 -0.215 0.000 1.342 719 I CB -0.627 37.246 38.000 -0.211 0.000 1.053 719 I HN 0.180 nan 8.210 nan 0.000 0.404 720 S N 1.155 116.726 115.700 -0.215 0.000 2.365 720 S HA -0.317 4.154 4.470 0.001 0.000 0.225 720 S C 2.032 176.609 174.600 -0.039 0.000 1.039 720 S CA 1.759 59.888 58.200 -0.119 0.000 1.033 720 S CB -0.581 62.695 63.200 0.127 0.000 0.887 720 S HN 0.381 nan 8.310 nan 0.000 0.447 721 K N 1.673 122.049 120.400 -0.039 0.000 2.097 721 K HA 0.043 4.364 4.320 0.001 0.000 0.206 721 K C 2.251 178.831 176.600 -0.034 0.000 1.049 721 K CA 1.110 57.390 56.287 -0.012 0.000 0.933 721 K CB -0.601 31.890 32.500 -0.016 0.000 0.717 721 K HN 0.476 nan 8.250 nan 0.000 0.442 722 A N 0.674 123.442 122.820 -0.086 0.000 2.014 722 A HA -0.035 4.286 4.320 0.001 0.000 0.218 722 A C 1.978 179.494 177.584 -0.113 0.000 1.163 722 A CA 0.914 52.895 52.037 -0.093 0.000 0.652 722 A CB -0.337 18.592 19.000 -0.117 0.000 0.808 722 A HN 0.292 nan 8.150 nan 0.000 0.449 723 L N -0.856 120.256 121.223 -0.185 0.000 2.131 723 L HA -0.082 4.258 4.340 0.001 0.000 0.206 723 L C 2.444 179.326 176.870 0.021 0.000 1.087 723 L CA 0.612 55.342 54.840 -0.183 0.000 0.767 723 L CB -0.399 41.364 42.059 -0.493 0.000 0.917 723 L HN 0.216 nan 8.230 nan 0.000 0.441 724 V N -0.111 119.854 119.914 0.085 0.000 2.343 724 V HA -0.289 3.832 4.120 0.001 0.000 0.247 724 V C 1.951 178.083 176.094 0.063 0.000 1.051 724 V CA 1.843 64.216 62.300 0.122 0.000 1.036 724 V CB -0.492 31.403 31.823 0.122 0.000 0.654 724 V HN 0.428 nan 8.190 nan 0.000 0.451 725 D N 0.224 120.642 120.400 0.030 0.000 2.264 725 D HA -0.090 4.551 4.640 0.001 0.000 0.208 725 D C 1.764 178.077 176.300 0.021 0.000 0.966 725 D CA 1.574 55.586 54.000 0.020 0.000 0.864 725 D CB -0.012 40.792 40.800 0.007 0.000 0.933 725 D HN 0.567 nan 8.370 nan 0.000 0.499 726 V N -3.809 116.118 119.914 0.021 0.000 3.483 726 V HA 0.500 4.621 4.120 0.001 0.000 0.301 726 V C 1.271 177.393 176.094 0.047 0.000 1.389 726 V CA 0.301 62.618 62.300 0.028 0.000 1.101 726 V CB -0.034 31.802 31.823 0.021 0.000 0.971 726 V HN 0.130 nan 8.190 nan 0.000 0.434 727 G N 0.523 109.359 108.800 0.061 0.000 2.198 727 G HA2 -0.193 3.767 3.960 0.001 0.000 0.257 727 G HA3 -0.193 3.767 3.960 0.001 0.000 0.257 727 G C 0.056 175.018 174.900 0.105 0.000 1.042 727 G CA 0.452 45.598 45.100 0.077 0.000 0.791 727 G HN 1.582 nan 8.290 nan 0.000 0.502 728 V N -0.551 119.443 119.914 0.133 0.000 2.509 728 V HA 0.697 4.818 4.120 0.001 0.000 0.284 728 V C 0.178 176.446 176.094 0.291 0.000 1.047 728 V CA -0.392 62.018 62.300 0.183 0.000 0.952 728 V CB 1.781 33.709 31.823 0.174 0.000 0.988 728 V HN 0.307 nan 8.190 nan 0.000 0.469 729 D N 4.917 125.475 120.400 0.264 0.000 2.225 729 D HA 0.658 5.299 4.640 0.001 0.000 0.249 729 D C -0.601 175.946 176.300 0.411 0.000 1.052 729 D CA 0.129 54.283 54.000 0.257 0.000 0.909 729 D CB 1.146 42.020 40.800 0.123 0.000 1.186 729 D HN 0.628 nan 8.370 nan 0.000 0.431 730 F N -0.846 119.184 119.950 0.133 0.000 2.817 730 F HA 0.448 4.975 4.527 0.001 0.000 0.317 730 F C -1.544 174.316 175.800 0.100 0.000 1.168 730 F CA -1.092 57.011 58.000 0.171 0.000 0.911 730 F CB 0.858 39.999 39.000 0.235 0.000 1.337 730 F HN 0.177 nan 8.300 nan 0.000 0.464 731 Q N 1.352 121.215 119.800 0.105 0.000 2.306 731 Q HA 0.835 5.176 4.340 0.001 0.000 0.265 731 Q C -0.992 175.002 176.000 -0.010 0.000 1.022 731 Q CA -1.226 54.537 55.803 -0.067 0.000 0.853 731 Q CB 2.365 31.116 28.738 0.021 0.000 1.327 731 Q HN 0.942 nan 8.270 nan 0.000 0.449 732 A N 1.782 124.563 122.820 -0.066 0.000 2.435 732 A HA 0.910 5.231 4.320 0.001 0.000 0.296 732 A C -1.352 176.191 177.584 -0.069 0.000 1.147 732 A CA -0.607 51.438 52.037 0.014 0.000 0.775 732 A CB 1.912 20.989 19.000 0.129 0.000 1.340 732 A HN 0.631 nan 8.150 nan 0.000 0.427 733 M N 0.816 120.365 119.600 -0.084 0.000 2.307 733 M HA 0.531 5.012 4.480 0.001 0.000 0.279 733 M C -2.067 174.125 176.300 -0.179 0.000 1.080 733 M CA -0.672 54.434 55.300 -0.323 0.000 0.964 733 M CB 1.092 33.440 32.600 -0.421 0.000 1.825 733 M HN 0.936 nan 8.290 nan 0.000 0.489 734 W N 4.338 125.509 121.300 -0.215 0.000 2.516 734 W HA 0.790 5.451 4.660 0.001 0.000 0.343 734 W C -1.996 174.296 176.519 -0.379 0.000 1.094 734 W CA -0.822 56.470 57.345 -0.089 0.000 1.250 734 W CB 0.443 29.880 29.460 -0.038 0.000 1.308 734 W HN 0.618 nan 8.180 nan 0.000 0.588 735 Y N 2.294 122.735 120.300 0.235 0.000 2.447 735 Y HA 0.296 4.847 4.550 0.001 0.000 0.325 735 Y C 0.451 176.466 175.900 0.191 0.000 0.976 735 Y CA -1.152 57.010 58.100 0.102 0.000 1.280 735 Y CB 1.163 39.654 38.460 0.052 0.000 1.104 735 Y HN 0.424 nan 8.280 nan 0.000 0.486 736 T N 4.354 119.095 114.554 0.311 0.000 2.822 736 T HA -0.024 4.327 4.350 0.001 0.000 0.288 736 T C 0.213 174.969 174.700 0.093 0.000 0.991 736 T CA 0.752 62.959 62.100 0.179 0.000 1.176 736 T CB -0.078 68.844 68.868 0.090 0.000 0.951 736 T HN 0.715 nan 8.240 nan 0.000 0.526 737 D N 0.345 120.753 120.400 0.013 0.000 2.946 737 D HA -0.123 4.517 4.640 0.001 0.000 0.202 737 D C 0.345 176.702 176.300 0.096 0.000 1.068 737 D CA 1.220 55.106 54.000 -0.191 0.000 1.011 737 D CB -0.413 40.080 40.800 -0.512 0.000 1.105 737 D HN 0.556 nan 8.370 nan 0.000 0.425 738 E N 0.883 121.194 120.200 0.185 0.000 2.349 738 E HA 0.361 4.711 4.350 0.001 0.000 0.265 738 E C 0.663 177.434 176.600 0.286 0.000 1.064 738 E CA -0.146 56.397 56.400 0.238 0.000 0.886 738 E CB 1.032 30.868 29.700 0.226 0.000 1.036 738 E HN 0.392 nan 8.360 nan 0.000 0.413 739 D N -1.018 119.568 120.400 0.311 0.000 2.560 739 D HA 0.016 4.657 4.640 0.001 0.000 0.277 739 D C 1.020 177.548 176.300 0.380 0.000 1.194 739 D CA -0.247 53.969 54.000 0.360 0.000 1.092 739 D CB -0.138 40.904 40.800 0.403 0.000 1.169 739 D HN 0.437 nan 8.370 nan 0.000 0.607 740 H N -1.735 117.532 119.070 0.327 0.000 2.489 740 H HA 0.109 4.666 4.556 0.001 0.000 0.293 740 H C 1.759 177.363 175.328 0.459 0.000 1.066 740 H CA 2.092 58.352 56.048 0.355 0.000 1.305 740 H CB -0.248 29.711 29.762 0.328 0.000 1.386 740 H HN 0.473 nan 8.280 nan 0.000 0.551 741 G N -0.577 108.396 108.800 0.288 0.000 3.088 741 G HA2 0.096 4.057 3.960 0.001 0.000 0.217 741 G HA3 0.096 4.057 3.960 0.001 0.000 0.217 741 G C 0.435 175.534 174.900 0.331 0.000 1.159 741 G CA 0.150 45.364 45.100 0.189 0.000 0.760 741 G HN 0.473 nan 8.290 nan 0.000 0.550 742 I N 0.207 120.978 120.570 0.334 0.000 3.815 742 I HA -0.346 3.824 4.170 0.001 0.000 0.126 742 I C 1.758 177.997 176.117 0.203 0.000 1.050 742 I CA 0.116 61.551 61.300 0.225 0.000 2.736 742 I CB -1.087 36.989 38.000 0.127 0.000 1.417 742 I HN 0.231 nan 8.210 nan 0.000 0.341 743 A N 1.059 123.977 122.820 0.164 0.000 2.147 743 A HA 0.186 4.507 4.320 0.001 0.000 0.211 743 A C 1.307 178.941 177.584 0.083 0.000 1.160 743 A CA 0.335 52.434 52.037 0.104 0.000 0.781 743 A CB 0.142 19.189 19.000 0.078 0.000 0.842 743 A HN 0.487 nan 8.150 nan 0.000 0.475 744 S N 0.440 116.204 115.700 0.106 0.000 2.571 744 S HA 0.016 4.487 4.470 0.001 0.000 0.298 744 S C 1.488 176.145 174.600 0.096 0.000 1.280 744 S CA 0.448 58.704 58.200 0.094 0.000 1.052 744 S CB 0.928 64.186 63.200 0.097 0.000 0.799 744 S HN 0.546 nan 8.310 nan 0.000 0.501 745 S N 2.362 118.105 115.700 0.072 0.000 2.353 745 S HA -0.171 4.299 4.470 0.001 0.000 0.222 745 S C 2.354 177.020 174.600 0.109 0.000 1.035 745 S CA 2.068 60.314 58.200 0.075 0.000 1.025 745 S CB -0.695 62.530 63.200 0.042 0.000 0.902 745 S HN 0.977 nan 8.310 nan 0.000 0.440 746 T N 0.020 114.624 114.554 0.083 0.000 2.821 746 T HA 0.117 4.468 4.350 0.001 0.000 0.267 746 T C 1.898 176.653 174.700 0.092 0.000 1.046 746 T CA 1.291 63.439 62.100 0.080 0.000 1.139 746 T CB -0.744 68.159 68.868 0.059 0.000 0.871 746 T HN 0.400 nan 8.240 nan 0.000 0.454 747 A N 1.572 124.432 122.820 0.066 0.000 1.898 747 A HA -0.071 4.249 4.320 0.001 0.000 0.216 747 A C 2.205 179.749 177.584 -0.066 0.000 1.181 747 A CA 1.951 53.966 52.037 -0.036 0.000 0.620 747 A CB -1.267 17.688 19.000 -0.075 0.000 0.819 747 A HN 0.752 nan 8.150 nan 0.000 0.442 748 H N -0.118 118.939 119.070 -0.022 0.000 2.352 748 H HA -0.156 4.401 4.556 0.001 0.000 0.299 748 H C 2.089 177.487 175.328 0.117 0.000 1.097 748 H CA 2.392 58.483 56.048 0.072 0.000 1.311 748 H CB -0.177 29.628 29.762 0.073 0.000 1.377 748 H HN 0.587 nan 8.280 nan 0.000 0.504 749 Q N -0.987 118.802 119.800 -0.018 0.000 2.079 749 Q HA -0.168 4.173 4.340 0.001 0.000 0.200 749 Q C 2.241 178.226 176.000 -0.026 0.000 0.974 749 Q CA 1.185 56.941 55.803 -0.077 0.000 0.840 749 Q CB -0.227 28.515 28.738 0.007 0.000 0.898 749 Q HN 0.657 nan 8.270 nan 0.000 0.430 750 H N 0.807 119.853 119.070 -0.040 0.000 2.352 750 H HA -0.122 4.434 4.556 0.001 0.000 0.299 750 H C 2.071 177.404 175.328 0.009 0.000 1.097 750 H CA 1.479 57.538 56.048 0.019 0.000 1.311 750 H CB 0.018 29.844 29.762 0.106 0.000 1.377 750 H HN 0.273 nan 8.280 nan 0.000 0.504 751 I N 0.009 120.553 120.570 -0.044 0.000 2.202 751 I HA -0.313 3.858 4.170 0.001 0.000 0.242 751 I C 1.871 177.760 176.117 -0.379 0.000 1.091 751 I CA 1.195 62.383 61.300 -0.186 0.000 1.368 751 I CB -0.281 37.461 38.000 -0.431 0.000 1.058 751 I HN 0.162 nan 8.210 nan 0.000 0.410 752 Y N 0.956 121.044 120.300 -0.353 0.000 2.224 752 Y HA -0.243 4.308 4.550 0.001 0.000 0.289 752 Y C 2.706 178.401 175.900 -0.341 0.000 1.146 752 Y CA 2.020 59.801 58.100 -0.532 0.000 1.182 752 Y CB -0.756 37.388 38.460 -0.526 0.000 0.983 752 Y HN 0.171 nan 8.280 nan 0.000 0.524 753 T N -1.624 112.856 114.554 -0.123 0.000 2.746 753 T HA -0.256 4.095 4.350 0.001 0.000 0.267 753 T C 1.492 176.135 174.700 -0.095 0.000 1.039 753 T CA 1.948 63.961 62.100 -0.145 0.000 1.142 753 T CB -0.459 68.329 68.868 -0.133 0.000 0.866 753 T HN 0.407 nan 8.240 nan 0.000 0.444 754 H N 0.790 119.747 119.070 -0.188 0.000 2.326 754 H HA 0.147 4.703 4.556 0.001 0.000 0.301 754 H C 2.200 177.505 175.328 -0.038 0.000 1.081 754 H CA 1.472 57.464 56.048 -0.093 0.000 1.334 754 H CB -0.270 29.402 29.762 -0.149 0.000 1.385 754 H HN 0.256 nan 8.280 nan 0.000 0.504 755 M N -0.816 118.712 119.600 -0.119 0.000 2.159 755 M HA -0.164 4.316 4.480 0.001 0.000 0.263 755 M C 2.373 178.767 176.300 0.157 0.000 1.063 755 M CA 1.486 56.706 55.300 -0.135 0.000 1.110 755 M CB 0.023 32.278 32.600 -0.576 0.000 1.374 755 M HN 0.185 nan 8.290 nan 0.000 0.411 756 S N -0.553 115.265 115.700 0.196 0.000 2.348 756 S HA -0.175 4.296 4.470 0.001 0.000 0.221 756 S C 1.619 176.320 174.600 0.168 0.000 1.033 756 S CA 1.357 59.773 58.200 0.360 0.000 1.010 756 S CB -0.674 62.703 63.200 0.294 0.000 0.891 756 S HN 0.550 nan 8.310 nan 0.000 0.442 757 H N -0.459 118.670 119.070 0.098 0.000 2.353 757 H HA -0.113 4.444 4.556 0.001 0.000 0.298 757 H C 1.929 177.256 175.328 -0.002 0.000 1.103 757 H CA 1.792 57.852 56.048 0.019 0.000 1.293 757 H CB -0.227 29.499 29.762 -0.059 0.000 1.372 757 H HN 0.391 nan 8.280 nan 0.000 0.501 758 F N 0.722 120.650 119.950 -0.036 0.000 2.134 758 F HA -0.199 4.329 4.527 0.001 0.000 0.299 758 F C 1.977 177.725 175.800 -0.087 0.000 1.097 758 F CA 0.963 58.908 58.000 -0.092 0.000 1.264 758 F CB -0.071 38.846 39.000 -0.138 0.000 1.001 758 F HN 0.064 nan 8.300 nan 0.000 0.479 759 I N 0.564 121.147 120.570 0.022 0.000 2.233 759 I HA -0.220 3.950 4.170 0.001 0.000 0.243 759 I C 2.287 178.225 176.117 -0.299 0.000 1.093 759 I CA 1.253 62.405 61.300 -0.246 0.000 1.380 759 I CB -1.229 36.713 38.000 -0.097 0.000 1.067 759 I HN 0.156 nan 8.210 nan 0.000 0.413 760 K N 0.772 121.135 120.400 -0.063 0.000 2.074 760 K HA -0.262 4.059 4.320 0.001 0.000 0.209 760 K C 1.979 178.570 176.600 -0.015 0.000 1.048 760 K CA 2.066 58.363 56.287 0.016 0.000 0.926 760 K CB -0.199 32.358 32.500 0.095 0.000 0.713 760 K HN 0.480 nan 8.250 nan 0.000 0.444 761 Q N 0.280 120.031 119.800 -0.081 0.000 2.245 761 Q HA -0.080 4.260 4.340 0.001 0.000 0.201 761 Q C 2.099 178.001 176.000 -0.162 0.000 0.955 761 Q CA 1.352 57.097 55.803 -0.097 0.000 0.870 761 Q CB -0.831 27.846 28.738 -0.102 0.000 0.945 761 Q HN 0.291 nan 8.270 nan 0.000 0.461 762 c N -0.331 118.073 118.600 -0.327 0.000 2.435 762 c HA 0.103 4.673 4.570 0.001 0.000 0.279 762 c C 1.160 175.248 174.090 -0.003 0.000 1.321 762 c CA 0.196 56.327 56.329 -0.330 0.000 1.752 762 c CB -0.997 41.137 42.510 -0.626 0.000 1.959 762 c HN 0.589 nan 8.230 nan 0.000 0.500 763 F N 1.605 121.518 119.950 -0.060 0.000 2.641 763 F HA 0.284 4.811 4.527 0.001 0.000 0.302 763 F C 1.599 177.387 175.800 -0.020 0.000 1.098 763 F CA 0.060 58.047 58.000 -0.022 0.000 1.318 763 F CB -1.183 37.816 39.000 -0.002 0.000 1.035 763 F HN 0.191 nan 8.300 nan 0.000 0.551 764 S N 0.678 116.459 115.700 0.134 0.000 3.587 764 S HA -0.210 4.260 4.470 0.001 0.000 0.337 764 S C 0.283 174.928 174.600 0.074 0.000 1.119 764 S CA 0.139 58.383 58.200 0.073 0.000 0.976 764 S CB -1.992 61.240 63.200 0.054 0.000 0.922 764 S HN 0.245 nan 8.310 nan 0.000 0.503 765 L N 2.167 123.448 121.223 0.098 0.000 2.349 765 L HA 0.343 4.684 4.340 0.001 0.000 0.275 765 L C -0.791 176.120 176.870 0.067 0.000 1.115 765 L CA -1.725 53.167 54.840 0.086 0.000 0.820 765 L CB 0.089 42.215 42.059 0.111 0.000 1.135 765 L HN 0.095 nan 8.230 nan 0.000 0.445 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.130 63.100 0.050 0.000 0.800 766 P CB 0.000 31.725 31.700 0.041 0.000 0.726