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 1r9m_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 0.000 176.347 176.300 0.079 0.000 0.893 40 R CA 0.000 56.144 56.100 0.074 0.000 0.921 40 R CB 0.000 30.336 30.300 0.060 0.000 0.687 41 K N 2.524 122.973 120.400 0.082 0.000 2.326 41 K HA 0.199 4.518 4.320 -0.000 0.000 0.275 41 K C -0.330 176.329 176.600 0.098 0.000 1.018 41 K CA 0.339 56.681 56.287 0.093 0.000 0.962 41 K CB 1.307 33.869 32.500 0.102 0.000 0.953 41 K HN 0.082 nan 8.250 nan 0.000 0.475 42 T N -0.439 114.183 114.554 0.113 0.000 2.927 42 T HA 0.188 4.537 4.350 -0.000 0.000 0.286 42 T C -0.786 174.028 174.700 0.189 0.000 1.040 42 T CA -0.844 61.332 62.100 0.127 0.000 1.010 42 T CB 0.561 69.498 68.868 0.115 0.000 1.177 42 T HN 0.556 nan 8.240 nan 0.000 0.546 43 Y N 2.508 122.859 120.300 0.085 0.000 2.480 43 Y HA 0.388 4.937 4.550 -0.000 0.000 0.341 43 Y C 0.981 177.033 175.900 0.254 0.000 1.031 43 Y CA 0.031 58.226 58.100 0.158 0.000 1.295 43 Y CB 0.010 38.519 38.460 0.082 0.000 1.162 43 Y HN 1.016 nan 8.280 nan 0.000 0.523 44 T N 2.440 116.972 114.554 -0.037 0.000 2.910 44 T HA 0.185 4.535 4.350 -0.000 0.000 0.279 44 T C 0.791 175.446 174.700 -0.076 0.000 0.989 44 T CA -0.686 61.478 62.100 0.108 0.000 0.968 44 T CB 1.123 70.021 68.868 0.050 0.000 1.135 44 T HN 0.650 nan 8.240 nan 0.000 0.562 45 L N 0.525 121.561 121.223 -0.310 0.000 2.072 45 L HA 0.087 4.427 4.340 -0.000 0.000 0.205 45 L C 2.581 179.321 176.870 -0.215 0.000 1.079 45 L CA 2.056 56.540 54.840 -0.594 0.000 0.752 45 L CB -1.467 40.105 42.059 -0.812 0.000 0.906 45 L HN 0.928 nan 8.230 nan 0.000 0.436 46 T N -0.383 114.071 114.554 -0.166 0.000 2.788 46 T HA -0.149 4.201 4.350 -0.000 0.000 0.268 46 T C 1.446 176.063 174.700 -0.138 0.000 1.044 46 T CA 1.438 63.465 62.100 -0.121 0.000 1.139 46 T CB -0.376 68.440 68.868 -0.086 0.000 0.867 46 T HN 0.401 nan 8.240 nan 0.000 0.454 47 D N 0.158 120.438 120.400 -0.199 0.000 2.144 47 D HA -0.091 4.549 4.640 -0.000 0.000 0.199 47 D C 1.715 177.918 176.300 -0.162 0.000 0.984 47 D CA 1.013 54.850 54.000 -0.270 0.000 0.834 47 D CB -0.299 40.224 40.800 -0.463 0.000 0.955 47 D HN 0.439 nan 8.370 nan 0.000 0.465 48 Y N 1.434 121.590 120.300 -0.241 0.000 2.153 48 Y HA -0.034 4.515 4.550 -0.000 0.000 0.289 48 Y C 2.145 178.064 175.900 0.032 0.000 1.127 48 Y CA 1.086 59.213 58.100 0.045 0.000 1.131 48 Y CB -0.550 38.007 38.460 0.162 0.000 0.995 48 Y HN -0.132 nan 8.280 nan 0.000 0.505 49 L N 0.101 121.187 121.223 -0.229 0.000 2.201 49 L HA -0.128 4.212 4.340 -0.000 0.000 0.212 49 L C 1.620 178.394 176.870 -0.160 0.000 1.105 49 L CA 1.180 55.856 54.840 -0.273 0.000 0.775 49 L CB -0.375 41.592 42.059 -0.153 0.000 0.913 49 L HN 0.089 nan 8.230 nan 0.000 0.440 50 K N -0.545 119.781 120.400 -0.124 0.000 2.373 50 K HA 0.119 4.439 4.320 -0.000 0.000 0.202 50 K C 0.085 176.633 176.600 -0.087 0.000 1.025 50 K CA -0.180 56.049 56.287 -0.096 0.000 1.115 50 K CB 0.086 32.533 32.500 -0.088 0.000 0.858 50 K HN 0.163 nan 8.250 nan 0.000 0.525 51 N N 1.897 120.555 118.700 -0.071 0.000 2.714 51 N HA -0.160 4.580 4.740 -0.000 0.000 0.253 51 N C 0.117 175.602 175.510 -0.041 0.000 1.024 51 N CA 0.698 53.741 53.050 -0.011 0.000 0.726 51 N CB -0.466 38.006 38.487 -0.024 0.000 0.908 51 N HN 0.153 nan 8.380 nan 0.000 0.542 52 T N -0.595 113.889 114.554 -0.117 0.000 2.770 52 T HA -0.102 4.248 4.350 -0.000 0.000 0.263 52 T C 0.353 174.833 174.700 -0.366 0.000 1.039 52 T CA 1.215 63.123 62.100 -0.321 0.000 1.142 52 T CB -0.052 68.481 68.868 -0.558 0.000 0.868 52 T HN 0.327 nan 8.240 nan 0.000 0.435 53 Y N 1.841 122.219 120.300 0.130 0.000 2.454 53 Y HA 0.510 5.060 4.550 -0.000 0.000 0.345 53 Y C 0.494 176.498 175.900 0.173 0.000 0.970 53 Y CA -1.023 57.182 58.100 0.175 0.000 1.204 53 Y CB 0.341 38.965 38.460 0.273 0.000 1.122 53 Y HN -0.107 nan 8.280 nan 0.000 0.514 54 R N 2.307 122.938 120.500 0.218 0.000 2.428 54 R HA 0.534 4.874 4.340 -0.000 0.000 0.294 54 R C -1.361 175.043 176.300 0.173 0.000 1.000 54 R CA -0.954 55.243 56.100 0.161 0.000 0.960 54 R CB 0.769 31.122 30.300 0.088 0.000 1.076 54 R HN 0.540 nan 8.270 nan 0.000 0.475 55 L N 3.711 125.033 121.223 0.164 0.000 2.264 55 L HA 0.336 4.676 4.340 -0.000 0.000 0.289 55 L C -0.421 176.524 176.870 0.124 0.000 1.044 55 L CA 0.149 55.090 54.840 0.169 0.000 0.807 55 L CB 1.247 43.424 42.059 0.197 0.000 1.192 55 L HN 0.465 nan 8.230 nan 0.000 0.425 56 K N 4.286 124.754 120.400 0.113 0.000 2.172 56 K HA 0.571 4.891 4.320 -0.000 0.000 0.276 56 K C -0.987 175.628 176.600 0.025 0.000 1.013 56 K CA -0.644 55.680 56.287 0.062 0.000 0.913 56 K CB 1.285 33.817 32.500 0.055 0.000 1.055 56 K HN 0.326 nan 8.250 nan 0.000 0.461 57 L N 1.643 122.813 121.223 -0.088 0.000 2.298 57 L HA 0.426 4.766 4.340 -0.000 0.000 0.268 57 L C -0.770 175.795 176.870 -0.508 0.000 1.010 57 L CA -0.760 53.889 54.840 -0.319 0.000 0.812 57 L CB 0.401 42.403 42.059 -0.094 0.000 1.331 57 L HN 0.454 nan 8.230 nan 0.000 0.450 58 Y N 0.316 120.034 120.300 -0.970 0.000 2.628 58 Y HA 0.416 4.966 4.550 -0.000 0.000 0.354 58 Y C -0.241 175.517 175.900 -0.237 0.000 1.061 58 Y CA -0.505 57.273 58.100 -0.538 0.000 1.251 58 Y CB 1.313 39.348 38.460 -0.709 0.000 1.098 58 Y HN 0.529 nan 8.280 nan 0.000 0.626 59 S N 5.540 121.196 115.700 -0.073 0.000 2.465 59 S HA 0.699 5.169 4.470 -0.000 0.000 0.279 59 S C -0.739 173.868 174.600 0.012 0.000 1.201 59 S CA -0.397 57.805 58.200 0.003 0.000 1.053 59 S CB -0.282 62.912 63.200 -0.010 0.000 0.953 59 S HN 0.589 nan 8.310 nan 0.000 0.488 60 L N 2.923 124.125 121.223 -0.035 0.000 2.303 60 L HA 0.818 5.157 4.340 -0.000 0.000 0.256 60 L C -0.543 176.255 176.870 -0.119 0.000 1.034 60 L CA -1.045 53.719 54.840 -0.127 0.000 0.832 60 L CB 1.475 43.193 42.059 -0.568 0.000 1.403 60 L HN 0.523 nan 8.230 nan 0.000 0.419 61 R N 0.030 120.471 120.500 -0.098 0.000 2.514 61 R HA 0.416 4.755 4.340 -0.000 0.000 0.296 61 R C -1.920 174.380 176.300 -0.000 0.000 1.012 61 R CA -0.273 55.824 56.100 -0.005 0.000 0.897 61 R CB 1.527 31.864 30.300 0.062 0.000 1.184 61 R HN 0.675 nan 8.270 nan 0.000 0.440 62 W N 4.896 126.288 121.300 0.154 0.000 2.304 62 W HA 0.203 4.863 4.660 -0.000 0.000 0.313 62 W C 1.500 178.084 176.519 0.109 0.000 1.323 62 W CA -0.486 56.956 57.345 0.162 0.000 1.223 62 W CB 0.632 30.179 29.460 0.145 0.000 1.237 62 W HN 0.617 nan 8.180 nan 0.000 0.535 63 I N 0.383 121.139 120.570 0.311 0.000 4.139 63 I HA 0.292 4.462 4.170 -0.000 0.000 0.335 63 I C 0.667 176.871 176.117 0.144 0.000 1.327 63 I CA -0.023 61.376 61.300 0.164 0.000 1.112 63 I CB -0.142 37.888 38.000 0.050 0.000 1.058 63 I HN 0.293 nan 8.210 nan 0.000 0.396 64 S N -0.223 115.595 115.700 0.198 0.000 2.800 64 S HA 0.294 4.764 4.470 -0.000 0.000 0.293 64 S C -0.210 174.398 174.600 0.013 0.000 1.209 64 S CA -0.240 57.995 58.200 0.059 0.000 0.884 64 S CB 1.593 64.798 63.200 0.008 0.000 1.244 64 S HN 0.042 nan 8.310 nan 0.000 0.540 65 D N -0.584 119.615 120.400 -0.334 0.000 2.340 65 D HA 0.222 4.862 4.640 -0.000 0.000 0.220 65 D C 0.836 177.029 176.300 -0.178 0.000 1.039 65 D CA 0.756 54.545 54.000 -0.351 0.000 0.866 65 D CB 0.008 40.588 40.800 -0.366 0.000 0.913 65 D HN 0.593 nan 8.370 nan 0.000 0.523 66 H N -1.748 117.515 119.070 0.321 0.000 3.622 66 H HA 0.363 4.919 4.556 -0.000 0.000 0.259 66 H C -0.090 175.390 175.328 0.254 0.000 1.145 66 H CA -0.105 56.103 56.048 0.267 0.000 1.178 66 H CB 0.774 30.650 29.762 0.189 0.000 1.542 66 H HN 0.122 nan 8.280 nan 0.000 0.586 67 E N 0.924 121.357 120.200 0.389 0.000 2.369 67 E HA 0.502 4.852 4.350 -0.000 0.000 0.270 67 E C -1.268 175.459 176.600 0.212 0.000 0.909 67 E CA -1.110 55.408 56.400 0.198 0.000 0.775 67 E CB 3.098 32.859 29.700 0.102 0.000 1.270 67 E HN 0.209 nan 8.360 nan 0.000 0.445 68 Y N -1.174 119.087 120.300 -0.066 0.000 2.644 68 Y HA 0.685 5.235 4.550 -0.000 0.000 0.338 68 Y C -1.656 174.212 175.900 -0.053 0.000 1.119 68 Y CA -1.501 56.458 58.100 -0.236 0.000 1.060 68 Y CB 0.993 38.938 38.460 -0.858 0.000 1.294 68 Y HN 0.318 nan 8.280 nan 0.000 0.472 69 L N 2.557 123.916 121.223 0.227 0.000 2.325 69 L HA 0.576 4.916 4.340 -0.000 0.000 0.278 69 L C -1.040 176.068 176.870 0.396 0.000 1.023 69 L CA -0.842 54.138 54.840 0.233 0.000 0.811 69 L CB 1.686 43.811 42.059 0.110 0.000 1.249 69 L HN 0.811 nan 8.230 nan 0.000 0.431 70 Y N 1.490 121.945 120.300 0.257 0.000 2.615 70 Y HA 0.569 5.119 4.550 -0.000 0.000 0.341 70 Y C -1.465 174.499 175.900 0.106 0.000 1.089 70 Y CA -1.258 56.910 58.100 0.113 0.000 1.049 70 Y CB 1.916 40.389 38.460 0.021 0.000 1.296 70 Y HN 0.471 nan 8.280 nan 0.000 0.470 71 K N 2.813 122.577 120.400 -1.060 0.000 2.463 71 K HA 0.439 4.759 4.320 -0.000 0.000 0.255 71 K C -0.658 175.502 176.600 -0.734 0.000 0.942 71 K CA -0.691 55.210 56.287 -0.644 0.000 0.814 71 K CB 2.283 34.532 32.500 -0.418 0.000 1.122 71 K HN 0.688 nan 8.250 nan 0.000 0.425 72 Q N 1.016 120.659 119.800 -0.262 0.000 2.961 72 Q HA 0.175 4.514 4.340 -0.000 0.000 0.300 72 Q C -0.379 175.570 176.000 -0.086 0.000 1.143 72 Q CA -0.135 55.609 55.803 -0.098 0.000 0.398 72 Q CB 0.281 29.059 28.738 0.068 0.000 5.422 72 Q HN 0.513 nan 8.270 nan 0.000 0.333 73 E N 1.827 122.005 120.200 -0.037 0.000 2.148 73 E HA 0.076 4.426 4.350 -0.000 0.000 0.308 73 E C -0.959 175.612 176.600 -0.048 0.000 1.278 73 E CA 0.086 56.464 56.400 -0.037 0.000 1.368 73 E CB -0.474 29.216 29.700 -0.018 0.000 1.229 73 E HN 0.334 nan 8.360 nan 0.000 0.494 74 N N 0.755 119.415 118.700 -0.067 0.000 2.778 74 N HA -0.240 4.500 4.740 -0.000 0.000 0.249 74 N C -0.753 174.722 175.510 -0.059 0.000 1.069 74 N CA 0.768 53.781 53.050 -0.062 0.000 0.831 74 N CB -1.236 37.223 38.487 -0.046 0.000 1.142 74 N HN 0.473 nan 8.380 nan 0.000 0.573 75 N N -0.367 118.297 118.700 -0.060 0.000 2.476 75 N HA 0.634 5.374 4.740 -0.000 0.000 0.276 75 N C -0.358 175.123 175.510 -0.048 0.000 1.204 75 N CA -0.400 52.621 53.050 -0.047 0.000 0.974 75 N CB 1.100 39.569 38.487 -0.030 0.000 1.204 75 N HN 0.018 nan 8.380 nan 0.000 0.543 76 I N 2.121 122.682 120.570 -0.015 0.000 2.500 76 I HA 0.240 4.410 4.170 -0.000 0.000 0.286 76 I C -1.446 174.727 176.117 0.094 0.000 1.063 76 I CA -0.446 60.870 61.300 0.026 0.000 1.062 76 I CB 1.475 39.471 38.000 -0.006 0.000 1.223 76 I HN 0.219 nan 8.210 nan 0.000 0.435 77 L N 6.812 128.110 121.223 0.125 0.000 2.322 77 L HA 0.613 4.953 4.340 -0.000 0.000 0.269 77 L C -0.276 176.638 176.870 0.072 0.000 1.012 77 L CA -0.877 54.000 54.840 0.061 0.000 0.815 77 L CB 1.711 43.733 42.059 -0.062 0.000 1.295 77 L HN 0.253 nan 8.230 nan 0.000 0.438 78 V N 1.568 121.441 119.914 -0.068 0.000 2.483 78 V HA 0.607 4.727 4.120 -0.000 0.000 0.295 78 V C -1.051 174.876 176.094 -0.278 0.000 1.035 78 V CA -0.278 61.968 62.300 -0.090 0.000 0.896 78 V CB 1.352 33.142 31.823 -0.055 0.000 0.986 78 V HN 0.486 nan 8.190 nan 0.000 0.447 79 F N 4.647 124.356 119.950 -0.401 0.000 2.538 79 F HA 0.513 5.040 4.527 -0.000 0.000 0.325 79 F C 0.402 175.947 175.800 -0.425 0.000 1.066 79 F CA -0.576 57.123 58.000 -0.503 0.000 0.946 79 F CB 1.784 40.197 39.000 -0.979 0.000 1.199 79 F HN 0.512 nan 8.300 nan 0.000 0.473 80 N N 1.373 120.036 118.700 -0.062 0.000 2.426 80 N HA 0.336 5.076 4.740 -0.000 0.000 0.275 80 N C 0.298 175.766 175.510 -0.069 0.000 1.019 80 N CA 0.137 53.175 53.050 -0.021 0.000 0.941 80 N CB 1.931 40.474 38.487 0.094 0.000 1.123 80 N HN 0.802 nan 8.380 nan 0.000 0.486 81 A N 4.248 126.979 122.820 -0.149 0.000 1.897 81 A HA -0.077 4.243 4.320 -0.000 0.000 0.215 81 A C 1.729 179.106 177.584 -0.344 0.000 1.181 81 A CA 1.143 53.036 52.037 -0.240 0.000 0.620 81 A CB -0.307 18.423 19.000 -0.450 0.000 0.821 81 A HN 0.855 nan 8.150 nan 0.000 0.443 82 E N -1.515 118.412 120.200 -0.455 0.000 2.085 82 E HA -0.216 4.134 4.350 -0.000 0.000 0.194 82 E C 1.454 177.775 176.600 -0.465 0.000 0.994 82 E CA 1.774 57.880 56.400 -0.490 0.000 0.801 82 E CB -0.233 28.987 29.700 -0.800 0.000 0.743 82 E HN 0.844 nan 8.360 nan 0.000 0.453 83 Y N -2.027 118.267 120.300 -0.010 0.000 2.581 83 Y HA 0.301 4.851 4.550 -0.000 0.000 0.271 83 Y C 1.825 177.731 175.900 0.010 0.000 1.100 83 Y CA 0.356 58.457 58.100 0.001 0.000 1.281 83 Y CB 0.749 39.208 38.460 -0.002 0.000 1.237 83 Y HN 0.118 nan 8.280 nan 0.000 0.514 84 G N 0.712 109.608 108.800 0.160 0.000 2.217 84 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.246 84 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.246 84 G C 0.179 175.179 174.900 0.168 0.000 0.990 84 G CA 0.135 45.342 45.100 0.179 0.000 0.627 84 G HN 0.515 nan 8.290 nan 0.000 0.522 85 N N 1.029 119.800 118.700 0.118 0.000 2.453 85 N HA 0.559 5.299 4.740 -0.000 0.000 0.253 85 N C 0.078 175.532 175.510 -0.095 0.000 1.252 85 N CA 0.932 53.990 53.050 0.014 0.000 0.917 85 N CB 1.269 39.758 38.487 0.004 0.000 1.117 85 N HN 1.170 nan 8.380 nan 0.000 0.442 86 S N -0.604 114.973 115.700 -0.204 0.000 2.656 86 S HA 0.762 5.232 4.470 -0.000 0.000 0.273 86 S C -0.873 173.578 174.600 -0.248 0.000 1.168 86 S CA -0.587 57.397 58.200 -0.361 0.000 0.817 86 S CB 0.720 63.370 63.200 -0.918 0.000 1.146 86 S HN 1.110 nan 8.310 nan 0.000 0.475 87 S N -0.575 114.987 115.700 -0.229 0.000 2.806 87 S HA 0.807 5.276 4.470 -0.000 0.000 0.306 87 S C -1.215 173.317 174.600 -0.112 0.000 1.167 87 S CA -0.846 57.276 58.200 -0.131 0.000 0.847 87 S CB 0.949 64.109 63.200 -0.067 0.000 1.216 87 S HN 1.079 nan 8.310 nan 0.000 0.532 88 V N 2.223 122.101 119.914 -0.059 0.000 2.333 88 V HA 0.369 4.488 4.120 -0.000 0.000 0.274 88 V C 0.372 176.482 176.094 0.027 0.000 1.028 88 V CA -0.460 61.824 62.300 -0.027 0.000 0.851 88 V CB 0.265 32.057 31.823 -0.051 0.000 1.000 88 V HN 0.903 nan 8.190 nan 0.000 0.456 89 F N 5.037 124.944 119.950 -0.071 0.000 2.259 89 F HA 0.243 4.770 4.527 -0.000 0.000 0.298 89 F C 0.594 176.363 175.800 -0.051 0.000 1.088 89 F CA 1.136 59.109 58.000 -0.045 0.000 1.358 89 F CB 0.508 39.495 39.000 -0.021 0.000 1.040 89 F HN 0.391 nan 8.300 nan 0.000 0.505 90 L N 1.517 122.724 121.223 -0.027 0.000 2.845 90 L HA 0.169 4.509 4.340 -0.000 0.000 0.253 90 L C -0.913 175.905 176.870 -0.087 0.000 0.959 90 L CA -0.464 54.298 54.840 -0.130 0.000 1.001 90 L CB 0.667 42.683 42.059 -0.072 0.000 1.374 90 L HN 0.161 nan 8.230 nan 0.000 0.469 91 E N 1.851 121.978 120.200 -0.121 0.000 2.343 91 E HA 0.173 4.523 4.350 -0.000 0.000 0.269 91 E C -0.556 175.971 176.600 -0.121 0.000 1.047 91 E CA -0.665 55.675 56.400 -0.100 0.000 0.874 91 E CB 1.114 30.756 29.700 -0.098 0.000 1.033 91 E HN 0.447 nan 8.360 nan 0.000 0.409 92 N N 1.727 120.377 118.700 -0.084 0.000 3.245 92 N HA -0.010 4.730 4.740 -0.000 0.000 0.296 92 N C -0.373 175.089 175.510 -0.080 0.000 1.254 92 N CA 0.009 53.017 53.050 -0.070 0.000 1.190 92 N CB -0.067 38.402 38.487 -0.031 0.000 1.460 92 N HN 0.552 nan 8.380 nan 0.000 0.538 93 S N -1.406 114.215 115.700 -0.132 0.000 2.787 93 S HA 0.076 4.546 4.470 -0.000 0.000 0.255 93 S C 1.253 175.732 174.600 -0.203 0.000 1.051 93 S CA -0.282 57.844 58.200 -0.123 0.000 1.124 93 S CB 0.144 63.281 63.200 -0.105 0.000 1.104 93 S HN 0.127 nan 8.310 nan 0.000 0.623 94 T N 1.644 115.991 114.554 -0.345 0.000 2.812 94 T HA 0.202 4.552 4.350 -0.000 0.000 0.264 94 T C 0.008 174.239 174.700 -0.782 0.000 1.042 94 T CA 1.110 62.798 62.100 -0.686 0.000 1.140 94 T CB -0.355 67.858 68.868 -1.091 0.000 0.870 94 T HN 0.522 nan 8.240 nan 0.000 0.445 95 F N 1.443 121.332 119.950 -0.101 0.000 2.928 95 F HA 0.296 4.823 4.527 -0.000 0.000 0.337 95 F C 0.793 176.595 175.800 0.004 0.000 1.259 95 F CA -1.546 56.441 58.000 -0.023 0.000 1.267 95 F CB -0.266 38.699 39.000 -0.059 0.000 0.986 95 F HN 0.169 nan 8.300 nan 0.000 0.507 96 D N -1.323 119.118 120.400 0.069 0.000 2.340 96 D HA -0.047 4.592 4.640 -0.000 0.000 0.220 96 D C 1.065 177.396 176.300 0.051 0.000 1.039 96 D CA 0.688 54.717 54.000 0.048 0.000 0.866 96 D CB 0.050 40.849 40.800 -0.002 0.000 0.913 96 D HN 0.352 nan 8.370 nan 0.000 0.523 97 E N -1.182 119.065 120.200 0.078 0.000 2.601 97 E HA 0.079 4.429 4.350 -0.000 0.000 0.219 97 E C 0.458 177.095 176.600 0.063 0.000 0.964 97 E CA -0.409 56.016 56.400 0.042 0.000 1.050 97 E CB 0.050 29.752 29.700 0.003 0.000 1.068 97 E HN 0.246 nan 8.360 nan 0.000 0.496 98 F N 1.449 121.406 119.950 0.011 0.000 2.087 98 F HA -0.274 4.253 4.527 -0.000 0.000 0.299 98 F C 1.831 177.558 175.800 -0.122 0.000 1.100 98 F CA 2.572 60.568 58.000 -0.007 0.000 1.226 98 F CB 0.043 39.037 39.000 -0.010 0.000 0.983 98 F HN 0.240 nan 8.300 nan 0.000 0.479 99 G N -2.133 106.678 108.800 0.018 0.000 2.232 99 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.226 99 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.226 99 G C 0.137 174.797 174.900 -0.401 0.000 0.996 99 G CA 0.154 45.091 45.100 -0.272 0.000 0.626 99 G HN 0.565 nan 8.290 nan 0.000 0.509 100 H N 0.344 119.550 119.070 0.226 0.000 2.821 100 H HA 0.598 5.154 4.556 -0.000 0.000 0.373 100 H C -0.313 175.012 175.328 -0.004 0.000 1.165 100 H CA -0.016 56.100 56.048 0.113 0.000 1.154 100 H CB 1.663 31.449 29.762 0.039 0.000 1.765 100 H HN 0.246 nan 8.280 nan 0.000 0.549 101 S N 1.885 117.654 115.700 0.115 0.000 2.565 101 S HA 0.333 4.803 4.470 -0.000 0.000 0.276 101 S C 0.666 175.226 174.600 -0.068 0.000 1.326 101 S CA -0.662 57.541 58.200 0.005 0.000 1.045 101 S CB 0.468 63.685 63.200 0.029 0.000 0.918 101 S HN 0.339 nan 8.310 nan 0.000 0.505 102 I N 2.594 123.072 120.570 -0.154 0.000 2.328 102 I HA 0.248 4.418 4.170 -0.000 0.000 0.287 102 I C 1.006 177.055 176.117 -0.114 0.000 1.012 102 I CA -0.558 60.620 61.300 -0.204 0.000 1.195 102 I CB 1.256 39.032 38.000 -0.373 0.000 1.350 102 I HN 0.622 nan 8.210 nan 0.000 0.464 103 N N 4.012 122.655 118.700 -0.094 0.000 2.132 103 N HA -0.064 4.676 4.740 -0.000 0.000 0.187 103 N C 0.254 175.703 175.510 -0.100 0.000 1.038 103 N CA 1.522 54.493 53.050 -0.131 0.000 0.846 103 N CB 0.398 38.759 38.487 -0.209 0.000 1.012 103 N HN 0.657 nan 8.380 nan 0.000 0.429 104 D N -2.924 117.444 120.400 -0.053 0.000 2.798 104 D HA 0.309 4.949 4.640 -0.000 0.000 0.308 104 D C -1.431 174.953 176.300 0.139 0.000 1.187 104 D CA -0.457 53.546 54.000 0.005 0.000 1.033 104 D CB 1.141 41.898 40.800 -0.070 0.000 1.445 104 D HN 0.137 nan 8.370 nan 0.000 0.550 105 Y N -1.992 118.333 120.300 0.041 0.000 2.725 105 Y HA 0.639 5.189 4.550 -0.000 0.000 0.333 105 Y C -1.429 174.568 175.900 0.162 0.000 1.242 105 Y CA -1.006 57.149 58.100 0.092 0.000 1.059 105 Y CB 1.220 39.719 38.460 0.064 0.000 1.306 105 Y HN 0.177 nan 8.280 nan 0.000 0.454 106 S N 1.536 117.455 115.700 0.365 0.000 2.653 106 S HA 0.553 5.023 4.470 -0.000 0.000 0.268 106 S C -1.639 173.309 174.600 0.580 0.000 1.153 106 S CA -0.488 57.919 58.200 0.345 0.000 1.036 106 S CB 0.140 63.536 63.200 0.325 0.000 1.103 106 S HN 0.749 nan 8.310 nan 0.000 0.466 107 I N 4.519 125.332 120.570 0.407 0.000 2.474 107 I HA 0.259 4.429 4.170 -0.000 0.000 0.287 107 I C 1.143 177.157 176.117 -0.171 0.000 1.048 107 I CA 0.002 61.447 61.300 0.241 0.000 1.383 107 I CB 1.542 39.666 38.000 0.206 0.000 1.412 107 I HN 0.808 nan 8.210 nan 0.000 0.531 108 S N 6.005 121.316 115.700 -0.649 0.000 2.576 108 S HA 0.159 4.629 4.470 -0.000 0.000 0.272 108 S C -1.815 172.499 174.600 -0.477 0.000 1.352 108 S CA -0.897 56.533 58.200 -1.283 0.000 1.021 108 S CB 0.437 62.823 63.200 -1.357 0.000 0.887 108 S HN 0.425 nan 8.310 nan 0.000 0.542 109 P HA -0.121 nan 4.420 nan 0.000 0.215 109 P C 0.818 178.068 177.300 -0.084 0.000 1.153 109 P CA 1.574 64.591 63.100 -0.138 0.000 0.853 109 P CB -0.198 31.439 31.700 -0.105 0.000 0.788 110 D N -1.973 118.377 120.400 -0.084 0.000 2.349 110 D HA 0.071 4.711 4.640 -0.000 0.000 0.224 110 D C 1.390 177.688 176.300 -0.004 0.000 1.029 110 D CA 0.715 54.705 54.000 -0.016 0.000 0.879 110 D CB -1.086 39.731 40.800 0.029 0.000 0.906 110 D HN 0.237 nan 8.370 nan 0.000 0.528 111 G N 0.203 108.988 108.800 -0.026 0.000 2.162 111 G HA2 -0.389 3.571 3.960 -0.000 0.000 0.260 111 G HA3 -0.389 3.571 3.960 -0.000 0.000 0.260 111 G C 0.946 175.857 174.900 0.018 0.000 0.976 111 G CA 0.512 45.636 45.100 0.040 0.000 0.655 111 G HN 0.466 nan 8.290 nan 0.000 0.533 112 Q N -1.556 118.194 119.800 -0.083 0.000 2.354 112 Q HA 0.396 4.736 4.340 -0.000 0.000 0.203 112 Q C 0.239 175.898 176.000 -0.567 0.000 0.933 112 Q CA 0.646 56.257 55.803 -0.321 0.000 0.901 112 Q CB 0.411 28.910 28.738 -0.399 0.000 1.007 112 Q HN 0.554 nan 8.270 nan 0.000 0.495 113 F N -0.494 119.418 119.950 -0.063 0.000 2.613 113 F HA 0.504 5.031 4.527 -0.000 0.000 0.314 113 F C -0.671 175.234 175.800 0.175 0.000 1.075 113 F CA -1.223 56.808 58.000 0.052 0.000 0.945 113 F CB 1.837 40.890 39.000 0.089 0.000 1.310 113 F HN -0.205 nan 8.300 nan 0.000 0.467 114 I N 2.987 123.912 120.570 0.593 0.000 2.498 114 I HA 0.519 4.689 4.170 -0.000 0.000 0.290 114 I C -1.832 174.654 176.117 0.615 0.000 1.032 114 I CA -1.046 60.608 61.300 0.591 0.000 1.073 114 I CB 1.497 39.796 38.000 0.498 0.000 1.251 114 I HN 0.507 nan 8.210 nan 0.000 0.426 115 L N 8.105 129.710 121.223 0.636 0.000 2.305 115 L HA 0.485 4.825 4.340 -0.000 0.000 0.281 115 L C -1.190 175.881 176.870 0.335 0.000 1.085 115 L CA 0.028 55.115 54.840 0.411 0.000 0.813 115 L CB 1.051 43.255 42.059 0.242 0.000 1.157 115 L HN 0.526 nan 8.230 nan 0.000 0.436 116 L N 5.073 126.458 121.223 0.269 0.000 2.305 116 L HA 0.480 4.820 4.340 -0.000 0.000 0.284 116 L C -0.210 176.765 176.870 0.174 0.000 1.013 116 L CA -0.403 54.517 54.840 0.133 0.000 0.819 116 L CB 1.610 43.639 42.059 -0.051 0.000 1.227 116 L HN 0.606 nan 8.230 nan 0.000 0.417 117 E N 3.957 124.202 120.200 0.076 0.000 2.134 117 E HA 0.421 4.771 4.350 -0.000 0.000 0.278 117 E C -1.614 174.947 176.600 -0.065 0.000 0.959 117 E CA -0.515 55.810 56.400 -0.126 0.000 0.783 117 E CB 1.024 30.716 29.700 -0.014 0.000 1.095 117 E HN 0.432 nan 8.360 nan 0.000 0.399 118 Y N 1.568 121.675 120.300 -0.322 0.000 2.677 118 Y HA 0.449 4.999 4.550 -0.000 0.000 0.334 118 Y C -0.305 175.495 175.900 -0.167 0.000 1.154 118 Y CA -1.754 56.222 58.100 -0.205 0.000 1.070 118 Y CB 0.474 38.825 38.460 -0.181 0.000 1.294 118 Y HN 0.457 nan 8.280 nan 0.000 0.475 119 N N -0.238 118.458 118.700 -0.007 0.000 2.738 119 N HA -0.295 4.445 4.740 -0.000 0.000 0.249 119 N C -1.174 174.300 175.510 -0.060 0.000 1.047 119 N CA 0.956 53.972 53.050 -0.057 0.000 0.707 119 N CB -1.703 36.676 38.487 -0.180 0.000 0.937 119 N HN 0.860 nan 8.380 nan 0.000 0.545 120 Y N -0.050 120.179 120.300 -0.118 0.000 2.569 120 Y HA 0.327 4.877 4.550 -0.000 0.000 0.332 120 Y C -0.109 175.756 175.900 -0.058 0.000 1.120 120 Y CA -0.223 57.809 58.100 -0.113 0.000 1.416 120 Y CB 0.694 39.043 38.460 -0.184 0.000 1.210 120 Y HN 0.018 nan 8.280 nan 0.000 0.528 121 V N 8.236 127.814 119.914 -0.560 0.000 2.380 121 V HA 0.195 4.315 4.120 -0.000 0.000 0.286 121 V C -0.161 175.546 176.094 -0.646 0.000 1.015 121 V CA -1.373 60.617 62.300 -0.516 0.000 0.834 121 V CB 1.114 32.794 31.823 -0.238 0.000 1.009 121 V HN 0.746 nan 8.190 nan 0.000 0.428 122 K N 3.662 123.609 120.400 -0.756 0.000 2.448 122 K HA 0.134 4.454 4.320 -0.000 0.000 0.278 122 K C 0.497 176.931 176.600 -0.277 0.000 1.009 122 K CA 0.306 56.347 56.287 -0.411 0.000 0.995 122 K CB 1.055 33.485 32.500 -0.117 0.000 0.917 122 K HN 0.823 nan 8.250 nan 0.000 0.481 123 Q N 3.277 122.908 119.800 -0.282 0.000 2.429 123 Q HA 0.143 4.483 4.340 -0.000 0.000 0.230 123 Q C 0.074 175.826 176.000 -0.413 0.000 0.970 123 Q CA -0.272 55.167 55.803 -0.607 0.000 0.778 123 Q CB 0.055 28.284 28.738 -0.848 0.000 2.016 123 Q HN 0.725 nan 8.270 nan 0.000 0.543 124 W N 0.132 121.433 121.300 0.002 0.000 1.756 124 W HA 0.363 5.023 4.660 -0.000 0.000 0.638 124 W C 1.900 178.426 176.519 0.012 0.000 1.472 124 W CA -0.741 56.632 57.345 0.047 0.000 1.437 124 W CB -0.149 29.297 29.460 -0.023 0.000 3.368 124 W HN 0.253 nan 8.180 nan 0.000 0.771 125 R N -0.599 120.039 120.500 0.229 0.000 2.092 125 R HA -0.117 4.223 4.340 -0.000 0.000 0.231 125 R C 1.641 177.821 176.300 -0.200 0.000 1.119 125 R CA 1.587 57.658 56.100 -0.049 0.000 0.970 125 R CB -0.309 29.851 30.300 -0.234 0.000 0.864 125 R HN 0.511 nan 8.270 nan 0.000 0.440 126 H N -1.419 117.742 119.070 0.151 0.000 2.927 126 H HA 0.142 4.698 4.556 -0.000 0.000 0.255 126 H C 0.482 175.943 175.328 0.222 0.000 0.974 126 H CA 0.423 56.591 56.048 0.200 0.000 1.199 126 H CB 0.435 30.282 29.762 0.142 0.000 1.447 126 H HN 0.122 nan 8.280 nan 0.000 0.467 127 S N 1.371 117.113 115.700 0.070 0.000 2.565 127 S HA 0.379 4.848 4.470 -0.000 0.000 0.276 127 S C -0.305 174.205 174.600 -0.149 0.000 1.326 127 S CA -0.489 57.449 58.200 -0.438 0.000 1.045 127 S CB 0.616 63.061 63.200 -1.259 0.000 0.918 127 S HN 0.424 nan 8.310 nan 0.000 0.505 128 Y N -1.881 118.335 120.300 -0.140 0.000 2.750 128 Y HA 0.779 5.329 4.550 -0.000 0.000 0.335 128 Y C -0.662 175.264 175.900 0.043 0.000 1.252 128 Y CA -1.164 56.863 58.100 -0.122 0.000 1.064 128 Y CB 1.016 39.425 38.460 -0.086 0.000 1.321 128 Y HN 0.647 nan 8.280 nan 0.000 0.451 129 T N 0.742 115.389 114.554 0.156 0.000 2.900 129 T HA 0.902 5.252 4.350 -0.000 0.000 0.295 129 T C -1.179 173.613 174.700 0.154 0.000 1.044 129 T CA 0.147 62.332 62.100 0.141 0.000 0.995 129 T CB 1.212 70.100 68.868 0.032 0.000 1.072 129 T HN 1.412 nan 8.240 nan 0.000 0.473 130 A N 1.979 124.864 122.820 0.108 0.000 2.564 130 A HA 0.792 5.112 4.320 -0.000 0.000 0.291 130 A C -0.893 176.445 177.584 -0.411 0.000 1.102 130 A CA -0.676 51.265 52.037 -0.159 0.000 0.660 130 A CB 1.297 20.188 19.000 -0.182 0.000 1.283 130 A HN 0.675 nan 8.150 nan 0.000 0.430 131 S N -0.707 114.530 115.700 -0.772 0.000 2.565 131 S HA 0.748 5.217 4.470 -0.000 0.000 0.290 131 S C -1.636 172.301 174.600 -1.106 0.000 1.150 131 S CA -0.001 57.654 58.200 -0.909 0.000 1.058 131 S CB 0.501 62.887 63.200 -1.356 0.000 1.032 131 S HN 0.415 nan 8.310 nan 0.000 0.510 132 Y N 0.838 120.928 120.300 -0.350 0.000 2.354 132 Y HA 0.408 4.958 4.550 -0.000 0.000 0.330 132 Y C -0.185 175.734 175.900 0.033 0.000 1.011 132 Y CA -0.895 57.130 58.100 -0.126 0.000 1.099 132 Y CB 1.571 39.908 38.460 -0.206 0.000 1.179 132 Y HN 0.503 nan 8.280 nan 0.000 0.442 133 D N 3.336 123.954 120.400 0.363 0.000 2.340 133 D HA 0.584 5.224 4.640 -0.000 0.000 0.240 133 D C -0.784 175.681 176.300 0.276 0.000 1.001 133 D CA -0.352 53.833 54.000 0.309 0.000 0.888 133 D CB 2.612 43.657 40.800 0.409 0.000 1.310 133 D HN 0.414 nan 8.370 nan 0.000 0.474 134 I N 1.856 122.571 120.570 0.242 0.000 2.418 134 I HA 0.195 4.365 4.170 -0.000 0.000 0.287 134 I C -0.976 175.374 176.117 0.389 0.000 1.008 134 I CA -0.984 60.497 61.300 0.301 0.000 1.104 134 I CB 1.546 39.659 38.000 0.188 0.000 1.264 134 I HN 0.215 nan 8.210 nan 0.000 0.438 135 Y N 5.695 126.195 120.300 0.333 0.000 2.326 135 Y HA 0.228 4.778 4.550 -0.000 0.000 0.337 135 Y C 0.209 176.307 175.900 0.331 0.000 1.023 135 Y CA -0.369 57.925 58.100 0.323 0.000 1.143 135 Y CB 0.823 39.504 38.460 0.369 0.000 1.183 135 Y HN 0.485 nan 8.280 nan 0.000 0.485 136 D N 6.480 126.742 120.400 -0.230 0.000 2.339 136 D HA 0.064 4.703 4.640 -0.000 0.000 0.256 136 D C 0.813 176.824 176.300 -0.482 0.000 1.214 136 D CA 0.325 54.162 54.000 -0.273 0.000 0.877 136 D CB 0.950 41.619 40.800 -0.219 0.000 1.111 136 D HN 0.813 nan 8.370 nan 0.000 0.478 137 L N 3.847 124.894 121.223 -0.293 0.000 1.950 137 L HA -0.154 4.185 4.340 -0.000 0.000 0.210 137 L C 2.286 179.038 176.870 -0.196 0.000 1.079 137 L CA 0.656 55.407 54.840 -0.149 0.000 0.754 137 L CB -0.625 41.380 42.059 -0.091 0.000 0.889 137 L HN 0.513 nan 8.230 nan 0.000 0.433 138 N N 0.031 118.597 118.700 -0.223 0.000 2.133 138 N HA -0.255 4.485 4.740 -0.000 0.000 0.193 138 N C 1.769 177.183 175.510 -0.160 0.000 1.012 138 N CA 1.694 54.640 53.050 -0.173 0.000 0.871 138 N CB -0.046 38.338 38.487 -0.172 0.000 1.011 138 N HN 0.372 nan 8.380 nan 0.000 0.435 139 K N 0.453 120.729 120.400 -0.207 0.000 2.166 139 K HA 0.112 4.432 4.320 -0.000 0.000 0.201 139 K C -0.100 176.394 176.600 -0.176 0.000 1.052 139 K CA 0.225 56.408 56.287 -0.174 0.000 0.969 139 K CB 0.368 32.752 32.500 -0.193 0.000 0.761 139 K HN 0.136 nan 8.250 nan 0.000 0.459 140 R N 1.070 121.402 120.500 -0.280 0.000 2.920 140 R HA -0.141 4.199 4.340 -0.000 0.000 0.282 140 R C -1.149 175.016 176.300 -0.226 0.000 0.954 140 R CA 0.265 56.251 56.100 -0.189 0.000 0.659 140 R CB -1.862 28.469 30.300 0.051 0.000 1.559 140 R HN 0.364 nan 8.270 nan 0.000 0.443 141 Q N 0.091 119.481 119.800 -0.684 0.000 2.574 141 Q HA 0.312 4.651 4.340 -0.000 0.000 0.265 141 Q C -1.237 174.628 176.000 -0.224 0.000 0.975 141 Q CA -0.950 54.717 55.803 -0.227 0.000 0.923 141 Q CB 1.882 30.546 28.738 -0.123 0.000 1.518 141 Q HN 0.335 nan 8.270 nan 0.000 0.401 142 L N 0.515 121.816 121.223 0.131 0.000 2.371 142 L HA 0.590 4.930 4.340 -0.000 0.000 0.272 142 L C -0.892 176.029 176.870 0.085 0.000 1.124 142 L CA -0.013 54.943 54.840 0.193 0.000 0.816 142 L CB 0.463 42.669 42.059 0.245 0.000 1.129 142 L HN 0.541 nan 8.230 nan 0.000 0.448 143 I N 3.449 124.076 120.570 0.096 0.000 2.396 143 I HA 0.172 4.342 4.170 -0.000 0.000 0.289 143 I C 1.247 177.385 176.117 0.035 0.000 1.056 143 I CA 0.577 61.912 61.300 0.058 0.000 1.365 143 I CB 1.302 39.339 38.000 0.061 0.000 1.407 143 I HN 0.867 nan 8.210 nan 0.000 0.509 144 T N 2.336 116.899 114.554 0.015 0.000 3.223 144 T HA 0.263 4.613 4.350 -0.000 0.000 0.259 144 T C 0.130 174.821 174.700 -0.015 0.000 1.015 144 T CA -0.508 61.592 62.100 -0.001 0.000 0.908 144 T CB -0.600 68.266 68.868 -0.005 0.000 1.054 144 T HN 0.639 nan 8.240 nan 0.000 0.567 145 E N 0.394 120.583 120.200 -0.018 0.000 2.288 145 E HA 0.358 4.708 4.350 -0.000 0.000 0.268 145 E C -0.839 175.731 176.600 -0.050 0.000 0.885 145 E CA -1.026 55.355 56.400 -0.031 0.000 0.767 145 E CB 1.056 30.744 29.700 -0.021 0.000 1.220 145 E HN -0.008 nan 8.360 nan 0.000 0.427 146 E N 1.051 121.210 120.200 -0.067 0.000 2.238 146 E HA -0.236 4.114 4.350 -0.000 0.000 0.219 146 E C -0.462 176.063 176.600 -0.125 0.000 1.275 146 E CA 0.784 57.128 56.400 -0.093 0.000 0.714 146 E CB -1.379 28.277 29.700 -0.073 0.000 1.154 146 E HN 0.541 nan 8.360 nan 0.000 0.363 147 R N -0.309 120.109 120.500 -0.135 0.000 2.827 147 R HA 0.300 4.640 4.340 -0.000 0.000 0.269 147 R C 1.202 177.329 176.300 -0.289 0.000 1.048 147 R CA -0.274 55.731 56.100 -0.158 0.000 1.173 147 R CB 0.389 30.623 30.300 -0.110 0.000 1.070 147 R HN 0.133 nan 8.270 nan 0.000 0.498 148 I N 2.781 123.151 120.570 -0.332 0.000 2.529 148 I HA 0.104 4.274 4.170 -0.000 0.000 0.284 148 I C -1.835 173.990 176.117 -0.487 0.000 1.082 148 I CA -1.884 59.060 61.300 -0.594 0.000 1.406 148 I CB 0.687 38.362 38.000 -0.541 0.000 1.405 148 I HN 0.289 nan 8.210 nan 0.000 0.548 149 P HA 0.127 nan 4.420 nan 0.000 0.274 149 P C -0.808 176.310 177.300 -0.303 0.000 1.231 149 P CA -0.482 62.270 63.100 -0.580 0.000 0.790 149 P CB 0.400 31.399 31.700 -1.169 0.000 0.951 150 N N 1.562 120.156 118.700 -0.176 0.000 2.340 150 N HA -0.020 4.720 4.740 -0.000 0.000 0.236 150 N C 0.277 175.841 175.510 0.090 0.000 1.296 150 N CA 0.373 53.373 53.050 -0.082 0.000 0.896 150 N CB -0.553 37.900 38.487 -0.057 0.000 1.127 150 N HN 0.436 nan 8.380 nan 0.000 0.442 151 N N -1.726 117.008 118.700 0.057 0.000 2.725 151 N HA -0.168 4.572 4.740 -0.000 0.000 0.249 151 N C -0.979 174.691 175.510 0.266 0.000 1.103 151 N CA 0.615 53.743 53.050 0.130 0.000 0.707 151 N CB -1.323 37.247 38.487 0.139 0.000 1.043 151 N HN 0.444 nan 8.380 nan 0.000 0.553 152 T N 0.361 115.071 114.554 0.261 0.000 2.870 152 T HA 0.056 4.406 4.350 -0.000 0.000 0.300 152 T C 1.451 176.337 174.700 0.309 0.000 0.989 152 T CA 0.034 62.333 62.100 0.331 0.000 1.139 152 T CB 1.119 70.129 68.868 0.237 0.000 0.920 152 T HN 0.192 nan 8.240 nan 0.000 0.537 153 Q N 1.805 121.776 119.800 0.284 0.000 2.269 153 Q HA 0.142 4.482 4.340 -0.000 0.000 0.201 153 Q C 0.131 176.319 176.000 0.313 0.000 0.946 153 Q CA 0.455 56.435 55.803 0.296 0.000 0.877 153 Q CB 0.681 29.555 28.738 0.227 0.000 0.963 153 Q HN 0.706 nan 8.270 nan 0.000 0.472 154 W N -0.311 120.969 121.300 -0.033 0.000 3.700 154 W HA 0.388 5.048 4.660 -0.000 0.000 0.279 154 W C -2.416 174.010 176.519 -0.155 0.000 1.270 154 W CA -0.590 56.676 57.345 -0.132 0.000 1.216 154 W CB 0.954 30.267 29.460 -0.245 0.000 1.292 154 W HN -0.379 nan 8.180 nan 0.000 0.557 155 V N 3.605 122.875 119.914 -1.073 0.000 2.709 155 V HA 0.687 4.807 4.120 -0.000 0.000 0.308 155 V C -0.391 175.120 176.094 -0.972 0.000 1.062 155 V CA -0.599 61.170 62.300 -0.886 0.000 0.901 155 V CB 1.742 32.891 31.823 -1.124 0.000 1.003 155 V HN 0.480 nan 8.190 nan 0.000 0.425 156 T N 3.235 117.527 114.554 -0.437 0.000 2.993 156 T HA 0.521 4.870 4.350 -0.000 0.000 0.312 156 T C -1.212 173.515 174.700 0.045 0.000 1.115 156 T CA -0.305 61.707 62.100 -0.146 0.000 1.027 156 T CB 0.770 69.782 68.868 0.240 0.000 1.116 156 T HN 0.526 nan 8.240 nan 0.000 0.464 157 W N 3.076 124.400 121.300 0.040 0.000 2.126 157 W HA 0.425 5.085 4.660 -0.000 0.000 0.346 157 W C 1.273 177.604 176.519 -0.313 0.000 1.279 157 W CA -0.630 56.678 57.345 -0.062 0.000 1.259 157 W CB 0.585 30.019 29.460 -0.045 0.000 1.133 157 W HN 0.772 nan 8.180 nan 0.000 0.592 158 S N 1.181 116.622 115.700 -0.432 0.000 2.593 158 S HA 0.171 4.641 4.470 -0.000 0.000 0.269 158 S C -1.855 172.506 174.600 -0.397 0.000 1.334 158 S CA -1.015 56.476 58.200 -1.182 0.000 1.015 158 S CB 1.188 63.643 63.200 -1.241 0.000 0.912 158 S HN 0.251 nan 8.310 nan 0.000 0.541 159 P HA 0.020 nan 4.420 nan 0.000 0.218 159 P C 0.347 177.604 177.300 -0.071 0.000 1.149 159 P CA 0.855 63.920 63.100 -0.058 0.000 0.817 159 P CB -0.200 31.506 31.700 0.010 0.000 0.785 160 V N -6.056 113.778 119.914 -0.133 0.000 2.864 160 V HA 0.893 5.013 4.120 -0.000 0.000 0.314 160 V C 0.430 176.424 176.094 -0.168 0.000 1.073 160 V CA -0.274 61.959 62.300 -0.112 0.000 0.956 160 V CB 0.922 32.696 31.823 -0.081 0.000 1.023 160 V HN 0.464 nan 8.190 nan 0.000 0.435 161 G N 2.690 111.407 108.800 -0.138 0.000 2.498 161 G HA2 -0.157 3.802 3.960 -0.000 0.000 0.245 161 G HA3 -0.157 3.802 3.960 -0.000 0.000 0.245 161 G C 0.180 174.995 174.900 -0.142 0.000 1.204 161 G CA 0.624 45.614 45.100 -0.184 0.000 0.933 161 G HN 2.490 nan 8.290 nan 0.000 0.574 162 H N -0.486 118.569 119.070 -0.024 0.000 3.038 162 H HA 0.457 5.013 4.556 -0.000 0.000 0.238 162 H C 0.337 175.814 175.328 0.248 0.000 1.246 162 H CA -0.131 55.957 56.048 0.066 0.000 0.966 162 H CB -0.129 29.719 29.762 0.144 0.000 2.394 162 H HN 0.487 nan 8.280 nan 0.000 0.633 163 K N 1.204 121.646 120.400 0.069 0.000 2.138 163 K HA 0.381 4.701 4.320 -0.000 0.000 0.251 163 K C -0.449 176.259 176.600 0.180 0.000 1.015 163 K CA -0.516 55.811 56.287 0.067 0.000 0.917 163 K CB 1.102 33.487 32.500 -0.192 0.000 1.021 163 K HN 0.031 nan 8.250 nan 0.000 0.485 164 L N 0.768 122.108 121.223 0.195 0.000 2.371 164 L HA 0.653 4.993 4.340 -0.000 0.000 0.262 164 L C -0.926 176.164 176.870 0.368 0.000 1.006 164 L CA -0.661 54.258 54.840 0.130 0.000 0.818 164 L CB 1.756 43.758 42.059 -0.096 0.000 1.354 164 L HN 0.806 nan 8.230 nan 0.000 0.415 165 A N 2.564 125.587 122.820 0.338 0.000 2.374 165 A HA 0.794 5.114 4.320 -0.000 0.000 0.305 165 A C -1.648 175.982 177.584 0.077 0.000 1.053 165 A CA -0.390 51.746 52.037 0.165 0.000 0.726 165 A CB 1.511 20.543 19.000 0.053 0.000 1.229 165 A HN 0.644 nan 8.150 nan 0.000 0.431 166 Y N -0.392 119.893 120.300 -0.025 0.000 2.581 166 Y HA 0.803 5.353 4.550 -0.000 0.000 0.345 166 Y C -1.120 174.813 175.900 0.056 0.000 1.036 166 Y CA -1.605 56.453 58.100 -0.070 0.000 1.042 166 Y CB 1.138 39.484 38.460 -0.190 0.000 1.289 166 Y HN 0.414 nan 8.280 nan 0.000 0.471 167 V N 2.158 122.229 119.914 0.261 0.000 2.555 167 V HA 0.463 4.582 4.120 -0.000 0.000 0.302 167 V C -1.453 174.882 176.094 0.402 0.000 1.038 167 V CA -0.677 61.755 62.300 0.221 0.000 0.887 167 V CB 1.556 33.418 31.823 0.065 0.000 0.991 167 V HN 0.907 nan 8.190 nan 0.000 0.434 168 W N 4.567 125.972 121.300 0.175 0.000 3.615 168 W HA 0.422 5.082 4.660 -0.000 0.000 0.319 168 W C 0.078 176.662 176.519 0.108 0.000 1.172 168 W CA -0.610 56.812 57.345 0.128 0.000 1.240 168 W CB 1.137 30.641 29.460 0.073 0.000 1.313 168 W HN 0.767 nan 8.180 nan 0.000 0.487 169 N N 5.111 123.405 118.700 -0.677 0.000 2.727 169 N HA -0.322 4.418 4.740 -0.000 0.000 0.249 169 N C -0.045 175.292 175.510 -0.289 0.000 1.048 169 N CA 1.047 53.707 53.050 -0.650 0.000 0.714 169 N CB -0.824 37.025 38.487 -1.064 0.000 0.959 169 N HN 0.701 nan 8.380 nan 0.000 0.544 170 N N -1.133 117.472 118.700 -0.158 0.000 2.782 170 N HA -0.152 4.588 4.740 -0.000 0.000 0.251 170 N C -1.470 173.979 175.510 -0.102 0.000 1.101 170 N CA 1.609 54.593 53.050 -0.109 0.000 0.764 170 N CB -0.557 37.814 38.487 -0.194 0.000 1.122 170 N HN 0.543 nan 8.380 nan 0.000 0.561 171 D N -0.290 120.069 120.400 -0.068 0.000 2.527 171 D HA 0.505 5.145 4.640 -0.000 0.000 0.233 171 D C 0.396 176.589 176.300 -0.179 0.000 1.063 171 D CA -0.445 53.450 54.000 -0.176 0.000 0.880 171 D CB 1.422 42.073 40.800 -0.248 0.000 1.457 171 D HN -0.024 nan 8.370 nan 0.000 0.475 172 I N 1.590 121.895 120.570 -0.442 0.000 2.396 172 I HA 0.259 4.429 4.170 -0.000 0.000 0.292 172 I C -0.630 175.095 176.117 -0.654 0.000 0.999 172 I CA -0.463 60.562 61.300 -0.458 0.000 1.310 172 I CB 0.606 38.242 38.000 -0.607 0.000 1.404 172 I HN 0.153 nan 8.210 nan 0.000 0.496 173 Y N 4.234 124.151 120.300 -0.638 0.000 2.499 173 Y HA 0.648 5.198 4.550 -0.000 0.000 0.347 173 Y C -0.363 175.183 175.900 -0.589 0.000 0.987 173 Y CA -1.009 56.646 58.100 -0.741 0.000 1.044 173 Y CB 2.206 39.876 38.460 -1.317 0.000 1.245 173 Y HN 0.123 nan 8.280 nan 0.000 0.461 174 V N 3.102 122.950 119.914 -0.110 0.000 2.588 174 V HA 0.399 4.519 4.120 -0.000 0.000 0.304 174 V C -0.761 175.479 176.094 0.243 0.000 1.042 174 V CA -1.307 61.038 62.300 0.076 0.000 0.877 174 V CB 1.912 33.792 31.823 0.094 0.000 0.996 174 V HN 0.639 nan 8.190 nan 0.000 0.425 175 K N 3.946 124.493 120.400 0.245 0.000 2.235 175 K HA 0.524 4.843 4.320 -0.000 0.000 0.266 175 K C 0.181 176.925 176.600 0.239 0.000 0.980 175 K CA -0.750 55.681 56.287 0.239 0.000 0.849 175 K CB 1.827 34.423 32.500 0.159 0.000 1.098 175 K HN 0.435 nan 8.250 nan 0.000 0.445 176 I N 1.434 122.162 120.570 0.262 0.000 2.494 176 I HA 0.021 4.190 4.170 -0.000 0.000 0.250 176 I C 0.207 176.448 176.117 0.207 0.000 1.112 176 I CA 1.077 62.498 61.300 0.202 0.000 1.438 176 I CB -0.210 37.907 38.000 0.195 0.000 1.111 176 I HN 0.608 nan 8.210 nan 0.000 0.431 177 E N 0.028 120.343 120.200 0.190 0.000 2.246 177 E HA 0.306 4.656 4.350 -0.000 0.000 0.266 177 E C -1.901 174.716 176.600 0.029 0.000 0.880 177 E CA -1.899 54.602 56.400 0.167 0.000 0.762 177 E CB 2.295 32.105 29.700 0.183 0.000 1.180 177 E HN -0.181 nan 8.360 nan 0.000 0.416 178 P HA -0.221 nan 4.420 nan 0.000 0.219 178 P C 0.259 177.499 177.300 -0.100 0.000 1.145 178 P CA 1.254 64.224 63.100 -0.218 0.000 0.813 178 P CB 0.167 31.500 31.700 -0.612 0.000 0.771 179 N N -2.166 116.508 118.700 -0.044 0.000 2.280 179 N HA 0.036 4.776 4.740 -0.000 0.000 0.192 179 N C 0.098 175.605 175.510 -0.005 0.000 1.109 179 N CA 0.282 53.325 53.050 -0.011 0.000 0.855 179 N CB 0.003 38.503 38.487 0.020 0.000 0.974 179 N HN 0.112 nan 8.380 nan 0.000 0.482 180 L N 1.226 122.452 121.223 0.006 0.000 2.334 180 L HA 0.573 4.913 4.340 -0.000 0.000 0.272 180 L C -2.184 174.668 176.870 -0.030 0.000 1.020 180 L CA -2.456 52.386 54.840 0.004 0.000 0.812 180 L CB 0.959 43.048 42.059 0.050 0.000 1.264 180 L HN -0.179 nan 8.230 nan 0.000 0.439 181 P HA 0.068 nan 4.420 nan 0.000 0.269 181 P C -0.893 176.291 177.300 -0.193 0.000 1.211 181 P CA -0.000 63.014 63.100 -0.143 0.000 0.781 181 P CB 0.367 31.950 31.700 -0.195 0.000 0.877 182 S N 0.933 116.569 115.700 -0.107 0.000 2.525 182 S HA 0.338 4.808 4.470 -0.000 0.000 0.278 182 S C -0.584 173.956 174.600 -0.100 0.000 1.234 182 S CA -0.274 57.927 58.200 0.002 0.000 1.058 182 S CB -0.047 63.263 63.200 0.184 0.000 0.983 182 S HN 0.227 nan 8.310 nan 0.000 0.495 183 Y N 1.431 121.744 120.300 0.021 0.000 2.327 183 Y HA 0.301 4.851 4.550 -0.000 0.000 0.336 183 Y C 1.145 176.930 175.900 -0.191 0.000 1.035 183 Y CA -0.611 57.469 58.100 -0.034 0.000 1.165 183 Y CB 0.587 39.036 38.460 -0.017 0.000 1.181 183 Y HN 0.347 nan 8.280 nan 0.000 0.494 184 R N 4.374 124.781 120.500 -0.156 0.000 2.288 184 R HA 0.126 4.466 4.340 -0.000 0.000 0.330 184 R C 0.404 176.443 176.300 -0.435 0.000 1.069 184 R CA 0.166 55.900 56.100 -0.609 0.000 0.941 184 R CB 0.418 30.203 30.300 -0.858 0.000 0.998 184 R HN 0.800 nan 8.270 nan 0.000 0.452 185 I N 1.222 121.466 120.570 -0.543 0.000 2.429 185 I HA -0.061 4.109 4.170 -0.000 0.000 0.247 185 I C 1.271 177.166 176.117 -0.371 0.000 1.099 185 I CA 1.155 62.239 61.300 -0.360 0.000 1.422 185 I CB -0.598 37.152 38.000 -0.416 0.000 1.112 185 I HN 0.419 nan 8.210 nan 0.000 0.430 186 T N -3.562 110.643 114.554 -0.582 0.000 2.863 186 T HA 0.397 4.747 4.350 -0.000 0.000 0.285 186 T C -0.653 173.746 174.700 -0.501 0.000 1.009 186 T CA -0.541 61.311 62.100 -0.413 0.000 0.989 186 T CB 1.801 70.414 68.868 -0.426 0.000 1.004 186 T HN 0.190 nan 8.240 nan 0.000 0.455 187 W N 0.878 122.069 121.300 -0.180 0.000 2.862 187 W HA 0.236 4.896 4.660 -0.000 0.000 0.376 187 W C 1.806 178.268 176.519 -0.095 0.000 1.028 187 W CA -0.264 57.008 57.345 -0.122 0.000 1.757 187 W CB 0.362 29.769 29.460 -0.087 0.000 1.128 187 W HN 0.926 nan 8.180 nan 0.000 0.566 188 T N -3.050 111.533 114.554 0.049 0.000 3.040 188 T HA 0.276 4.626 4.350 -0.000 0.000 0.250 188 T C 1.255 175.944 174.700 -0.019 0.000 1.058 188 T CA 0.107 62.223 62.100 0.027 0.000 0.988 188 T CB -0.108 68.772 68.868 0.020 0.000 0.993 188 T HN -0.006 nan 8.240 nan 0.000 0.519 189 G N 1.265 110.025 108.800 -0.067 0.000 2.391 189 G HA2 0.349 4.309 3.960 -0.000 0.000 0.234 189 G HA3 0.349 4.309 3.960 -0.000 0.000 0.234 189 G C -0.608 174.227 174.900 -0.109 0.000 1.284 189 G CA -0.370 44.669 45.100 -0.103 0.000 0.873 189 G HN 0.536 nan 8.290 nan 0.000 0.549 190 K N 1.657 121.965 120.400 -0.153 0.000 2.619 190 K HA 0.144 4.464 4.320 -0.000 0.000 0.251 190 K C -0.152 176.315 176.600 -0.222 0.000 0.987 190 K CA -0.620 55.579 56.287 -0.146 0.000 0.844 190 K CB 1.386 33.837 32.500 -0.082 0.000 1.237 190 K HN 0.655 nan 8.250 nan 0.000 0.447 191 E N 3.194 123.271 120.200 -0.205 0.000 2.966 191 E HA -0.192 4.157 4.350 -0.000 0.000 0.254 191 E C -0.607 175.887 176.600 -0.176 0.000 0.923 191 E CA 1.151 57.428 56.400 -0.205 0.000 0.960 191 E CB 0.193 29.813 29.700 -0.133 0.000 0.901 191 E HN 0.643 nan 8.360 nan 0.000 0.525 192 D N 2.345 122.614 120.400 -0.218 0.000 3.046 192 D HA -0.241 4.399 4.640 -0.000 0.000 0.210 192 D C 0.373 176.684 176.300 0.017 0.000 1.124 192 D CA 1.588 55.588 54.000 0.000 0.000 0.986 192 D CB -1.000 39.841 40.800 0.067 0.000 1.118 192 D HN 0.532 nan 8.370 nan 0.000 0.416 193 I N -1.436 119.055 120.570 -0.132 0.000 3.990 193 I HA 0.153 4.322 4.170 -0.000 0.000 0.275 193 I C 0.231 176.383 176.117 0.059 0.000 1.157 193 I CA -0.026 61.286 61.300 0.020 0.000 1.338 193 I CB 0.692 38.695 38.000 0.006 0.000 1.588 193 I HN -0.190 nan 8.210 nan 0.000 0.441 194 I N 0.662 121.185 120.570 -0.079 0.000 2.436 194 I HA 0.287 4.456 4.170 -0.000 0.000 0.289 194 I C -1.541 174.537 176.117 -0.064 0.000 1.010 194 I CA -0.346 60.977 61.300 0.039 0.000 1.098 194 I CB 1.345 39.364 38.000 0.032 0.000 1.266 194 I HN -0.069 nan 8.210 nan 0.000 0.434 195 Y N 4.525 124.902 120.300 0.128 0.000 2.328 195 Y HA 0.513 5.063 4.550 -0.000 0.000 0.333 195 Y C -0.271 175.683 175.900 0.091 0.000 0.958 195 Y CA -1.065 57.110 58.100 0.124 0.000 1.167 195 Y CB 1.004 39.598 38.460 0.223 0.000 1.151 195 Y HN 0.474 nan 8.280 nan 0.000 0.470 196 N N 0.949 119.709 118.700 0.100 0.000 2.400 196 N HA 0.503 5.242 4.740 -0.000 0.000 0.288 196 N C 0.780 176.236 175.510 -0.090 0.000 1.024 196 N CA 0.052 53.089 53.050 -0.022 0.000 0.894 196 N CB 1.792 40.148 38.487 -0.218 0.000 1.173 196 N HN 0.859 nan 8.380 nan 0.000 0.487 197 G N 0.944 109.703 108.800 -0.067 0.000 2.212 197 G HA2 -0.275 3.684 3.960 -0.000 0.000 0.266 197 G HA3 -0.275 3.684 3.960 -0.000 0.000 0.266 197 G C 0.087 174.881 174.900 -0.177 0.000 0.978 197 G CA 0.965 45.976 45.100 -0.150 0.000 0.632 197 G HN 0.664 nan 8.290 nan 0.000 0.537 198 I N -2.102 118.432 120.570 -0.059 0.000 3.074 198 I HA 0.832 5.002 4.170 -0.000 0.000 0.310 198 I C 0.264 176.444 176.117 0.104 0.000 1.153 198 I CA -0.694 60.489 61.300 -0.194 0.000 0.993 198 I CB 1.972 39.643 38.000 -0.548 0.000 1.237 198 I HN 0.167 nan 8.210 nan 0.000 0.443 199 T N -0.799 113.730 114.554 -0.041 0.000 2.934 199 T HA 0.435 4.785 4.350 -0.000 0.000 0.283 199 T C -0.274 174.156 174.700 -0.449 0.000 1.005 199 T CA -0.675 61.194 62.100 -0.384 0.000 1.041 199 T CB 1.371 70.033 68.868 -0.344 0.000 1.042 199 T HN 0.769 nan 8.240 nan 0.000 0.505 200 D N 0.022 119.908 120.400 -0.857 0.000 2.478 200 D HA 0.040 4.680 4.640 -0.000 0.000 0.274 200 D C 1.004 177.185 176.300 -0.199 0.000 1.234 200 D CA -1.094 52.456 54.000 -0.749 0.000 1.069 200 D CB 0.031 40.387 40.800 -0.740 0.000 1.113 200 D HN 0.710 nan 8.370 nan 0.000 0.571 201 W N -0.026 121.180 121.300 -0.155 0.000 2.333 201 W HA -0.215 4.444 4.660 -0.000 0.000 0.316 201 W C 2.106 178.469 176.519 -0.260 0.000 1.215 201 W CA 2.262 59.498 57.345 -0.181 0.000 1.278 201 W CB -0.395 28.909 29.460 -0.260 0.000 1.154 201 W HN 0.174 nan 8.180 nan 0.000 0.486 202 V N -0.212 119.753 119.914 0.086 0.000 2.667 202 V HA -0.249 3.871 4.120 -0.000 0.000 0.252 202 V C 1.705 177.554 176.094 -0.407 0.000 1.065 202 V CA 1.774 64.004 62.300 -0.117 0.000 1.083 202 V CB -0.656 31.128 31.823 -0.066 0.000 0.692 202 V HN 0.299 nan 8.190 nan 0.000 0.468 203 Y N 0.530 120.514 120.300 -0.527 0.000 2.337 203 Y HA -0.086 4.464 4.550 -0.000 0.000 0.293 203 Y C 2.532 178.067 175.900 -0.608 0.000 1.123 203 Y CA 1.916 59.578 58.100 -0.730 0.000 1.201 203 Y CB 0.076 37.829 38.460 -1.178 0.000 1.011 203 Y HN 0.382 nan 8.280 nan 0.000 0.545 204 E N 0.340 120.339 120.200 -0.334 0.000 2.028 204 E HA -0.272 4.078 4.350 -0.000 0.000 0.191 204 E C 1.995 178.460 176.600 -0.225 0.000 0.988 204 E CA 1.519 57.797 56.400 -0.204 0.000 0.799 204 E CB 0.013 29.637 29.700 -0.127 0.000 0.755 204 E HN 0.357 nan 8.360 nan 0.000 0.447 205 E N 0.250 120.145 120.200 -0.507 0.000 2.072 205 E HA -0.148 4.202 4.350 -0.000 0.000 0.190 205 E C 1.616 178.054 176.600 -0.271 0.000 0.982 205 E CA 1.494 57.599 56.400 -0.493 0.000 0.803 205 E CB 0.172 29.195 29.700 -1.129 0.000 0.755 205 E HN 0.231 nan 8.360 nan 0.000 0.453 206 E N -0.898 119.114 120.200 -0.313 0.000 2.447 206 E HA 0.108 4.458 4.350 -0.000 0.000 0.204 206 E C 1.722 178.201 176.600 -0.201 0.000 0.977 206 E CA 0.408 56.697 56.400 -0.185 0.000 0.950 206 E CB 1.021 30.607 29.700 -0.191 0.000 0.975 206 E HN 0.199 nan 8.360 nan 0.000 0.496 207 V N -0.159 119.580 119.914 -0.291 0.000 2.721 207 V HA 0.048 4.168 4.120 -0.000 0.000 0.236 207 V C 1.508 177.712 176.094 0.184 0.000 1.116 207 V CA 0.681 62.845 62.300 -0.226 0.000 1.148 207 V CB -0.162 31.265 31.823 -0.660 0.000 0.886 207 V HN 0.034 nan 8.190 nan 0.000 0.490 208 F N 0.420 120.342 119.950 -0.047 0.000 2.714 208 F HA 0.350 4.876 4.527 -0.000 0.000 0.294 208 F C 1.661 177.403 175.800 -0.096 0.000 1.120 208 F CA -0.113 57.885 58.000 -0.002 0.000 1.398 208 F CB -0.800 38.238 39.000 0.064 0.000 1.120 208 F HN 0.152 nan 8.300 nan 0.000 0.589 209 S N 0.260 115.973 115.700 0.022 0.000 3.533 209 S HA 0.007 4.477 4.470 -0.000 0.000 0.347 209 S C 0.169 174.327 174.600 -0.737 0.000 1.101 209 S CA 0.550 58.636 58.200 -0.190 0.000 1.009 209 S CB -1.643 61.531 63.200 -0.044 0.000 0.916 209 S HN 0.669 nan 8.310 nan 0.000 0.496 210 A N -0.841 121.737 122.820 -0.403 0.000 2.605 210 A HA 0.668 4.988 4.320 -0.000 0.000 0.294 210 A C -0.311 177.229 177.584 -0.075 0.000 1.062 210 A CA -0.373 51.450 52.037 -0.357 0.000 0.682 210 A CB 0.369 19.229 19.000 -0.234 0.000 1.278 210 A HN 0.331 nan 8.150 nan 0.000 0.410 211 Y N 1.396 121.539 120.300 -0.262 0.000 2.286 211 Y HA 0.063 4.613 4.550 -0.000 0.000 0.293 211 Y C 1.644 177.289 175.900 -0.426 0.000 1.124 211 Y CA 1.178 59.128 58.100 -0.250 0.000 1.178 211 Y CB 0.271 38.605 38.460 -0.211 0.000 1.010 211 Y HN 0.730 nan 8.280 nan 0.000 0.536 212 S N 0.736 115.952 115.700 -0.806 0.000 2.533 212 S HA 0.311 4.781 4.470 -0.000 0.000 0.282 212 S C 0.110 174.329 174.600 -0.635 0.000 1.304 212 S CA 0.131 57.635 58.200 -1.160 0.000 1.063 212 S CB 0.966 63.202 63.200 -1.607 0.000 0.881 212 S HN 0.405 nan 8.310 nan 0.000 0.493 213 A N 5.892 128.352 122.820 -0.601 0.000 2.812 213 A HA 0.532 4.852 4.320 -0.000 0.000 0.294 213 A C -0.478 176.523 177.584 -0.971 0.000 1.014 213 A CA -0.492 51.201 52.037 -0.573 0.000 1.024 213 A CB -0.034 19.081 19.000 0.192 0.000 1.162 213 A HN 0.745 nan 8.150 nan 0.000 0.511 214 L N 0.402 120.909 121.223 -1.192 0.000 2.410 214 L HA 0.576 4.916 4.340 -0.000 0.000 0.270 214 L C -1.254 175.180 176.870 -0.727 0.000 0.983 214 L CA -0.532 53.892 54.840 -0.694 0.000 0.822 214 L CB 2.004 43.865 42.059 -0.330 0.000 1.285 214 L HN 0.457 nan 8.230 nan 0.000 0.409 215 W N 2.482 123.842 121.300 0.099 0.000 2.543 215 W HA 0.241 4.901 4.660 -0.000 0.000 0.318 215 W C -1.032 175.717 176.519 0.383 0.000 1.002 215 W CA -1.044 56.472 57.345 0.284 0.000 1.302 215 W CB 1.423 31.082 29.460 0.333 0.000 1.299 215 W HN 0.475 nan 8.180 nan 0.000 0.424 216 W N 2.489 124.018 121.300 0.383 0.000 2.190 216 W HA 0.210 4.870 4.660 -0.000 0.000 0.330 216 W C 1.363 177.727 176.519 -0.259 0.000 1.299 216 W CA 0.351 57.773 57.345 0.130 0.000 1.215 216 W CB 0.869 30.377 29.460 0.079 0.000 1.147 216 W HN 0.209 nan 8.180 nan 0.000 0.563 217 S N 2.672 118.115 115.700 -0.428 0.000 2.589 217 S HA 0.127 4.597 4.470 -0.000 0.000 0.265 217 S C -1.733 172.644 174.600 -0.371 0.000 1.342 217 S CA -0.902 56.567 58.200 -1.218 0.000 1.005 217 S CB 0.906 63.523 63.200 -0.971 0.000 0.909 217 S HN 0.305 nan 8.310 nan 0.000 0.555 218 P HA -0.116 nan 4.420 nan 0.000 0.218 218 P C 0.892 178.165 177.300 -0.045 0.000 1.148 218 P CA 1.352 64.423 63.100 -0.049 0.000 0.822 218 P CB -0.183 31.528 31.700 0.017 0.000 0.784 219 N N -1.968 116.691 118.700 -0.069 0.000 2.236 219 N HA 0.113 4.853 4.740 -0.000 0.000 0.196 219 N C 1.137 176.581 175.510 -0.110 0.000 1.114 219 N CA 0.667 53.675 53.050 -0.072 0.000 0.859 219 N CB -0.566 37.890 38.487 -0.052 0.000 0.982 219 N HN 0.168 nan 8.380 nan 0.000 0.493 220 G N -0.729 108.020 108.800 -0.085 0.000 2.157 220 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.239 220 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.239 220 G C 0.818 175.762 174.900 0.073 0.000 0.982 220 G CA 0.646 45.695 45.100 -0.085 0.000 0.650 220 G HN 0.364 nan 8.290 nan 0.000 0.527 221 T N -0.051 114.478 114.554 -0.041 0.000 2.770 221 T HA 0.269 4.619 4.350 -0.000 0.000 0.263 221 T C 0.859 175.396 174.700 -0.271 0.000 1.039 221 T CA 1.222 63.185 62.100 -0.227 0.000 1.142 221 T CB -0.047 68.574 68.868 -0.410 0.000 0.868 221 T HN 0.278 nan 8.240 nan 0.000 0.435 222 F N 0.119 120.081 119.950 0.021 0.000 2.483 222 F HA 0.650 5.177 4.527 -0.000 0.000 0.329 222 F C -0.281 175.530 175.800 0.018 0.000 1.064 222 F CA -1.571 56.449 58.000 0.034 0.000 0.986 222 F CB 1.211 40.248 39.000 0.063 0.000 1.218 222 F HN -0.116 nan 8.300 nan 0.000 0.484 223 L N 2.317 123.644 121.223 0.173 0.000 2.415 223 L HA 0.772 5.112 4.340 -0.000 0.000 0.268 223 L C -0.697 176.234 176.870 0.102 0.000 0.984 223 L CA -0.393 54.367 54.840 -0.133 0.000 0.853 223 L CB 0.721 42.467 42.059 -0.523 0.000 1.215 223 L HN 0.653 nan 8.230 nan 0.000 0.419 224 A N 4.463 127.441 122.820 0.263 0.000 2.304 224 A HA 0.777 5.097 4.320 -0.000 0.000 0.301 224 A C -1.329 176.337 177.584 0.137 0.000 1.132 224 A CA -0.172 51.921 52.037 0.093 0.000 0.819 224 A CB 0.532 19.693 19.000 0.269 0.000 1.094 224 A HN 0.911 nan 8.150 nan 0.000 0.492 225 Y N -1.881 118.247 120.300 -0.286 0.000 2.624 225 Y HA 0.724 5.273 4.550 -0.000 0.000 0.334 225 Y C -0.419 175.373 175.900 -0.180 0.000 1.155 225 Y CA -0.929 57.104 58.100 -0.112 0.000 1.046 225 Y CB 0.815 39.174 38.460 -0.168 0.000 1.316 225 Y HN 0.932 nan 8.280 nan 0.000 0.457 226 A N 2.477 125.463 122.820 0.275 0.000 2.325 226 A HA 0.664 4.984 4.320 -0.000 0.000 0.333 226 A C -1.084 176.449 177.584 -0.085 0.000 1.155 226 A CA -0.824 51.232 52.037 0.031 0.000 0.814 226 A CB 1.588 20.600 19.000 0.019 0.000 1.206 226 A HN 0.838 nan 8.150 nan 0.000 0.482 227 Q N 1.398 121.082 119.800 -0.192 0.000 2.331 227 Q HA 0.614 4.954 4.340 -0.000 0.000 0.267 227 Q C -2.013 173.775 176.000 -0.354 0.000 1.006 227 Q CA -0.371 55.389 55.803 -0.072 0.000 0.818 227 Q CB 0.883 29.783 28.738 0.269 0.000 1.276 227 Q HN 0.575 nan 8.270 nan 0.000 0.450 228 F N 2.506 122.540 119.950 0.141 0.000 2.443 228 F HA 0.399 4.926 4.527 -0.000 0.000 0.335 228 F C 0.378 176.300 175.800 0.204 0.000 1.104 228 F CA -0.928 57.117 58.000 0.076 0.000 1.013 228 F CB 1.382 40.316 39.000 -0.111 0.000 1.136 228 F HN 0.488 nan 8.300 nan 0.000 0.470 229 N N 1.982 120.874 118.700 0.319 0.000 2.518 229 N HA 0.209 4.949 4.740 -0.000 0.000 0.254 229 N C -0.948 174.711 175.510 0.249 0.000 0.979 229 N CA -0.388 52.815 53.050 0.256 0.000 0.930 229 N CB 0.858 39.448 38.487 0.173 0.000 1.152 229 N HN 0.520 nan 8.380 nan 0.000 0.505 230 D N 1.662 122.231 120.400 0.283 0.000 2.491 230 D HA 0.138 4.778 4.640 -0.000 0.000 0.228 230 D C 1.184 177.585 176.300 0.168 0.000 1.183 230 D CA 0.091 54.236 54.000 0.241 0.000 0.827 230 D CB 0.506 41.503 40.800 0.328 0.000 0.989 230 D HN 0.459 nan 8.370 nan 0.000 0.494 231 T N 0.395 115.030 114.554 0.135 0.000 2.624 231 T HA -0.212 4.138 4.350 -0.000 0.000 0.268 231 T C 1.288 176.035 174.700 0.079 0.000 1.041 231 T CA 1.386 63.543 62.100 0.094 0.000 1.159 231 T CB -0.038 68.876 68.868 0.077 0.000 0.863 231 T HN 0.301 nan 8.240 nan 0.000 0.434 232 E N 0.359 120.605 120.200 0.077 0.000 2.465 232 E HA 0.181 4.530 4.350 -0.000 0.000 0.195 232 E C -0.486 176.155 176.600 0.068 0.000 1.028 232 E CA -0.267 56.170 56.400 0.062 0.000 0.899 232 E CB 0.572 30.302 29.700 0.050 0.000 1.032 232 E HN 0.192 nan 8.360 nan 0.000 0.468 233 V N 3.683 123.650 119.914 0.088 0.000 2.479 233 V HA 0.072 4.191 4.120 -0.000 0.000 0.281 233 V C -1.971 174.173 176.094 0.083 0.000 1.031 233 V CA -1.417 60.939 62.300 0.093 0.000 1.038 233 V CB 0.090 31.984 31.823 0.119 0.000 0.981 233 V HN 0.055 nan 8.190 nan 0.000 0.478 234 P HA 0.227 nan 4.420 nan 0.000 0.270 234 P C -0.749 176.585 177.300 0.057 0.000 1.223 234 P CA -0.213 62.920 63.100 0.055 0.000 0.785 234 P CB 0.486 32.218 31.700 0.053 0.000 0.923 235 L N 1.966 123.203 121.223 0.023 0.000 2.309 235 L HA 0.459 4.799 4.340 -0.000 0.000 0.282 235 L C 0.340 177.170 176.870 -0.067 0.000 1.036 235 L CA -0.876 53.963 54.840 -0.003 0.000 0.806 235 L CB 0.983 43.035 42.059 -0.012 0.000 1.220 235 L HN 0.283 nan 8.230 nan 0.000 0.429 236 I N 2.402 122.888 120.570 -0.139 0.000 2.428 236 I HA 0.250 4.420 4.170 -0.000 0.000 0.289 236 I C -0.328 175.656 176.117 -0.222 0.000 1.019 236 I CA 0.339 61.466 61.300 -0.288 0.000 1.351 236 I CB 0.648 38.222 38.000 -0.710 0.000 1.412 236 I HN 0.596 nan 8.210 nan 0.000 0.513 237 E N 7.418 127.507 120.200 -0.185 0.000 2.222 237 E HA 0.530 4.880 4.350 -0.000 0.000 0.267 237 E C -1.749 174.790 176.600 -0.101 0.000 0.884 237 E CA -0.620 55.661 56.400 -0.199 0.000 0.764 237 E CB 2.021 31.630 29.700 -0.151 0.000 1.169 237 E HN 0.592 nan 8.360 nan 0.000 0.413 238 Y N -1.935 118.275 120.300 -0.151 0.000 2.609 238 Y HA 0.517 5.067 4.550 -0.000 0.000 0.336 238 Y C -0.683 175.140 175.900 -0.129 0.000 1.129 238 Y CA -1.303 56.714 58.100 -0.138 0.000 1.040 238 Y CB 0.826 39.209 38.460 -0.128 0.000 1.310 238 Y HN 0.220 nan 8.280 nan 0.000 0.460 239 S N 1.858 117.536 115.700 -0.037 0.000 2.565 239 S HA 0.440 4.910 4.470 -0.000 0.000 0.276 239 S C -1.346 173.098 174.600 -0.260 0.000 1.326 239 S CA -0.345 57.681 58.200 -0.290 0.000 1.045 239 S CB 0.252 63.115 63.200 -0.562 0.000 0.918 239 S HN 0.534 nan 8.310 nan 0.000 0.505 240 F N 2.510 122.192 119.950 -0.447 0.000 2.477 240 F HA 0.424 4.951 4.527 -0.000 0.000 0.335 240 F C -0.178 175.391 175.800 -0.384 0.000 1.130 240 F CA -0.796 57.038 58.000 -0.276 0.000 0.948 240 F CB 0.792 39.750 39.000 -0.070 0.000 1.154 240 F HN 0.667 nan 8.300 nan 0.000 0.439 241 Y N 2.785 122.895 120.300 -0.317 0.000 2.347 241 Y HA 0.102 4.652 4.550 -0.000 0.000 0.294 241 Y C 1.736 177.572 175.900 -0.107 0.000 1.117 241 Y CA 1.227 59.224 58.100 -0.173 0.000 1.184 241 Y CB -0.466 37.876 38.460 -0.197 0.000 1.047 241 Y HN 0.746 nan 8.280 nan 0.000 0.546 242 S N -0.382 115.231 115.700 -0.145 0.000 3.569 242 S HA -0.271 4.199 4.470 -0.000 0.000 0.635 242 S C -0.228 174.421 174.600 0.081 0.000 2.396 242 S CA 0.134 58.401 58.200 0.111 0.000 2.612 242 S CB -1.442 61.933 63.200 0.293 0.000 0.331 242 S HN 0.565 nan 8.310 nan 0.000 1.764 243 D N 1.545 122.014 120.400 0.115 0.000 2.400 243 D HA 0.084 4.724 4.640 -0.000 0.000 0.238 243 D C 1.567 177.902 176.300 0.058 0.000 1.157 243 D CA 0.715 54.761 54.000 0.077 0.000 0.889 243 D CB 0.612 41.459 40.800 0.077 0.000 1.199 243 D HN 0.659 nan 8.370 nan 0.000 0.436 244 E N 0.532 120.754 120.200 0.036 0.000 2.463 244 E HA -0.170 4.180 4.350 -0.000 0.000 0.201 244 E C 1.280 177.893 176.600 0.022 0.000 1.045 244 E CA 0.961 57.373 56.400 0.021 0.000 0.872 244 E CB -0.029 29.675 29.700 0.006 0.000 0.797 244 E HN 0.329 nan 8.360 nan 0.000 0.538 245 S N 0.324 116.044 115.700 0.034 0.000 2.489 245 S HA -0.042 4.427 4.470 -0.000 0.000 0.228 245 S C 0.853 175.478 174.600 0.041 0.000 0.995 245 S CA -0.267 57.952 58.200 0.032 0.000 0.934 245 S CB -0.198 63.024 63.200 0.036 0.000 0.771 245 S HN 0.290 nan 8.310 nan 0.000 0.522 246 L N 2.637 123.894 121.223 0.056 0.000 2.369 246 L HA 0.322 4.662 4.340 -0.000 0.000 0.279 246 L C 1.335 178.235 176.870 0.049 0.000 1.108 246 L CA 0.185 55.069 54.840 0.072 0.000 0.852 246 L CB 0.613 42.733 42.059 0.101 0.000 1.169 246 L HN 0.277 nan 8.230 nan 0.000 0.452 247 Q N 3.845 123.673 119.800 0.047 0.000 2.096 247 Q HA -0.044 4.296 4.340 -0.000 0.000 0.197 247 Q C -0.536 175.360 176.000 -0.172 0.000 0.964 247 Q CA 1.179 56.947 55.803 -0.059 0.000 0.838 247 Q CB 0.176 28.889 28.738 -0.042 0.000 0.906 247 Q HN 0.681 nan 8.270 nan 0.000 0.444 248 Y N 0.598 120.911 120.300 0.022 0.000 2.364 248 Y HA 0.387 4.937 4.550 -0.000 0.000 0.340 248 Y C -2.063 173.845 175.900 0.013 0.000 0.975 248 Y CA -2.919 55.190 58.100 0.015 0.000 1.089 248 Y CB 1.381 39.842 38.460 0.000 0.000 1.192 248 Y HN 0.141 nan 8.280 nan 0.000 0.454 249 P HA 0.015 nan 4.420 nan 0.000 0.268 249 P C -0.801 176.506 177.300 0.011 0.000 1.208 249 P CA -0.431 62.684 63.100 0.025 0.000 0.777 249 P CB 0.696 32.349 31.700 -0.079 0.000 0.875 250 K N 1.080 121.471 120.400 -0.015 0.000 2.130 250 K HA 0.344 4.664 4.320 -0.000 0.000 0.268 250 K C -0.733 175.810 176.600 -0.095 0.000 0.983 250 K CA -0.370 55.901 56.287 -0.026 0.000 0.893 250 K CB 0.580 33.086 32.500 0.009 0.000 1.066 250 K HN 0.310 nan 8.250 nan 0.000 0.450 251 T N 3.189 117.673 114.554 -0.117 0.000 2.738 251 T HA 0.199 4.549 4.350 -0.000 0.000 0.298 251 T C -0.450 174.108 174.700 -0.236 0.000 0.962 251 T CA -0.595 61.399 62.100 -0.177 0.000 0.972 251 T CB 0.862 69.645 68.868 -0.141 0.000 0.928 251 T HN 0.300 nan 8.240 nan 0.000 0.474 252 V N 5.661 125.333 119.914 -0.402 0.000 2.583 252 V HA 0.391 4.511 4.120 -0.000 0.000 0.287 252 V C 0.496 176.317 176.094 -0.455 0.000 1.051 252 V CA -0.375 61.641 62.300 -0.475 0.000 1.010 252 V CB 0.744 32.118 31.823 -0.748 0.000 0.988 252 V HN 0.721 nan 8.190 nan 0.000 0.478 253 R N 3.501 123.862 120.500 -0.231 0.000 2.502 253 R HA 0.723 5.063 4.340 -0.000 0.000 0.300 253 R C -1.752 174.535 176.300 -0.023 0.000 0.984 253 R CA -0.570 55.445 56.100 -0.143 0.000 0.882 253 R CB 2.193 32.437 30.300 -0.093 0.000 1.180 253 R HN 0.498 nan 8.270 nan 0.000 0.444 254 V N 3.868 123.778 119.914 -0.008 0.000 2.638 254 V HA 0.356 4.476 4.120 -0.000 0.000 0.306 254 V C -2.423 173.723 176.094 0.086 0.000 1.052 254 V CA -2.428 59.936 62.300 0.107 0.000 0.885 254 V CB 2.361 34.244 31.823 0.099 0.000 0.999 254 V HN 0.608 nan 8.190 nan 0.000 0.424 255 P HA 0.230 nan 4.420 nan 0.000 0.271 255 P C -1.360 176.038 177.300 0.164 0.000 1.233 255 P CA 0.281 63.477 63.100 0.160 0.000 0.764 255 P CB -0.128 31.703 31.700 0.219 0.000 0.825 256 Y N 5.894 126.164 120.300 -0.051 0.000 2.307 256 Y HA 0.381 4.931 4.550 -0.000 0.000 0.323 256 Y C -2.738 173.124 175.900 -0.065 0.000 1.100 256 Y CA -2.822 55.194 58.100 -0.140 0.000 1.140 256 Y CB 2.069 40.325 38.460 -0.341 0.000 1.159 256 Y HN 0.295 nan 8.280 nan 0.000 0.436 257 P HA 0.222 nan 4.420 nan 0.000 0.286 257 P C -1.079 176.259 177.300 0.064 0.000 1.321 257 P CA -0.115 63.014 63.100 0.049 0.000 0.790 257 P CB 1.053 32.763 31.700 0.016 0.000 0.897 258 K N 1.995 122.518 120.400 0.205 0.000 2.138 258 K HA 0.487 4.807 4.320 -0.000 0.000 0.251 258 K C 0.546 177.238 176.600 0.154 0.000 1.015 258 K CA -0.701 55.726 56.287 0.233 0.000 0.917 258 K CB 0.581 33.233 32.500 0.254 0.000 1.021 258 K HN 0.435 nan 8.250 nan 0.000 0.485 259 A N 0.949 123.886 122.820 0.195 0.000 2.573 259 A HA 0.250 4.570 4.320 -0.000 0.000 0.250 259 A C 1.202 178.831 177.584 0.075 0.000 1.049 259 A CA 1.072 53.217 52.037 0.181 0.000 0.767 259 A CB -1.170 18.035 19.000 0.341 0.000 0.965 259 A HN 0.926 nan 8.150 nan 0.000 0.514 260 G N 0.834 109.664 108.800 0.050 0.000 2.176 260 G HA2 0.134 4.093 3.960 -0.000 0.000 0.253 260 G HA3 0.134 4.093 3.960 -0.000 0.000 0.253 260 G C 0.623 175.533 174.900 0.016 0.000 0.979 260 G CA 0.706 45.807 45.100 0.001 0.000 0.641 260 G HN 2.152 nan 8.290 nan 0.000 0.530 261 A N -0.421 122.425 122.820 0.043 0.000 2.240 261 A HA 0.806 5.126 4.320 -0.000 0.000 0.292 261 A C 0.775 178.385 177.584 0.044 0.000 1.121 261 A CA 0.228 52.293 52.037 0.046 0.000 0.851 261 A CB 0.745 19.786 19.000 0.067 0.000 1.167 261 A HN 1.144 nan 8.150 nan 0.000 0.503 262 V N 2.213 122.154 119.914 0.045 0.000 2.529 262 V HA 0.049 4.169 4.120 -0.000 0.000 0.292 262 V C 0.224 176.354 176.094 0.060 0.000 1.028 262 V CA -0.107 62.220 62.300 0.045 0.000 1.074 262 V CB -0.024 31.826 31.823 0.046 0.000 0.958 262 V HN 0.769 nan 8.190 nan 0.000 0.481 263 N N 6.105 124.839 118.700 0.056 0.000 2.495 263 N HA 0.465 5.205 4.740 -0.000 0.000 0.280 263 N C -2.384 173.192 175.510 0.109 0.000 1.168 263 N CA -1.557 51.544 53.050 0.085 0.000 0.978 263 N CB 1.200 39.728 38.487 0.069 0.000 1.191 263 N HN 0.391 nan 8.380 nan 0.000 0.497 264 P HA 0.057 nan 4.420 nan 0.000 0.270 264 P C -0.494 176.930 177.300 0.206 0.000 1.223 264 P CA -0.031 63.194 63.100 0.210 0.000 0.785 264 P CB 0.288 32.148 31.700 0.266 0.000 0.923 265 T N -1.698 112.965 114.554 0.181 0.000 2.940 265 T HA 0.587 4.937 4.350 -0.000 0.000 0.288 265 T C -0.357 174.440 174.700 0.162 0.000 1.033 265 T CA -0.899 61.270 62.100 0.116 0.000 1.033 265 T CB 1.629 70.539 68.868 0.070 0.000 1.079 265 T HN 0.334 nan 8.240 nan 0.000 0.496 266 V N 0.654 120.642 119.914 0.122 0.000 2.789 266 V HA 0.735 4.854 4.120 -0.000 0.000 0.311 266 V C -1.385 174.773 176.094 0.106 0.000 1.073 266 V CA -0.811 61.523 62.300 0.057 0.000 0.921 266 V CB 1.936 33.812 31.823 0.089 0.000 1.009 266 V HN 1.008 nan 8.190 nan 0.000 0.426 267 K N 4.523 124.926 120.400 0.005 0.000 2.385 267 K HA 0.586 4.906 4.320 -0.000 0.000 0.248 267 K C -1.838 174.674 176.600 -0.148 0.000 0.955 267 K CA -0.520 55.737 56.287 -0.051 0.000 0.816 267 K CB 2.724 35.177 32.500 -0.077 0.000 1.250 267 K HN 0.575 nan 8.250 nan 0.000 0.434 268 F N 1.750 121.388 119.950 -0.519 0.000 2.546 268 F HA 0.609 5.136 4.527 -0.000 0.000 0.320 268 F C -1.419 173.811 175.800 -0.950 0.000 1.076 268 F CA -0.671 57.020 58.000 -0.514 0.000 0.928 268 F CB 0.992 39.842 39.000 -0.250 0.000 1.189 268 F HN 0.398 nan 8.300 nan 0.000 0.465 269 F N 3.334 122.580 119.950 -1.173 0.000 2.619 269 F HA 0.667 5.194 4.527 -0.000 0.000 0.308 269 F C -1.158 173.997 175.800 -1.075 0.000 1.097 269 F CA -1.089 56.316 58.000 -0.991 0.000 0.953 269 F CB 2.134 40.383 39.000 -1.253 0.000 1.287 269 F HN 0.149 nan 8.300 nan 0.000 0.446 270 V N 2.932 122.604 119.914 -0.404 0.000 2.656 270 V HA 0.687 4.807 4.120 -0.000 0.000 0.307 270 V C -1.143 174.986 176.094 0.058 0.000 1.051 270 V CA -0.885 61.246 62.300 -0.281 0.000 0.893 270 V CB 2.018 33.469 31.823 -0.619 0.000 0.999 270 V HN 0.582 nan 8.190 nan 0.000 0.426 271 V N 3.868 123.898 119.914 0.193 0.000 2.656 271 V HA 0.556 4.676 4.120 -0.000 0.000 0.307 271 V C -0.441 175.853 176.094 0.333 0.000 1.051 271 V CA -0.634 61.822 62.300 0.261 0.000 0.893 271 V CB 2.158 34.088 31.823 0.178 0.000 0.999 271 V HN 0.940 nan 8.190 nan 0.000 0.426 272 N N 3.522 122.405 118.700 0.306 0.000 2.405 272 N HA 0.126 4.866 4.740 -0.000 0.000 0.260 272 N C 1.053 176.543 175.510 -0.035 0.000 1.152 272 N CA 0.674 53.764 53.050 0.067 0.000 0.948 272 N CB 1.582 40.098 38.487 0.048 0.000 1.111 272 N HN 0.883 nan 8.380 nan 0.000 0.485 273 T N -0.646 113.864 114.554 -0.074 0.000 3.129 273 T HA 0.080 4.430 4.350 -0.000 0.000 0.251 273 T C 0.560 175.191 174.700 -0.115 0.000 1.117 273 T CA 0.327 62.392 62.100 -0.059 0.000 1.034 273 T CB 0.168 69.095 68.868 0.100 0.000 0.968 273 T HN 0.237 nan 8.240 nan 0.000 0.526 274 D N 1.893 122.206 120.400 -0.145 0.000 2.348 274 D HA 0.073 4.713 4.640 -0.000 0.000 0.211 274 D C 1.350 177.583 176.300 -0.111 0.000 0.998 274 D CA 0.554 54.476 54.000 -0.130 0.000 0.873 274 D CB 0.242 40.956 40.800 -0.144 0.000 0.925 274 D HN 0.623 nan 8.370 nan 0.000 0.524 275 S N -0.118 115.518 115.700 -0.106 0.000 2.588 275 S HA 0.210 4.680 4.470 -0.000 0.000 0.245 275 S C 0.339 174.885 174.600 -0.089 0.000 1.021 275 S CA -0.627 57.533 58.200 -0.066 0.000 1.006 275 S CB 0.424 63.615 63.200 -0.014 0.000 0.830 275 S HN -0.121 nan 8.310 nan 0.000 0.468 276 L N 2.820 123.916 121.223 -0.211 0.000 2.426 276 L HA 0.531 4.871 4.340 -0.000 0.000 0.271 276 L C 0.519 177.282 176.870 -0.177 0.000 1.169 276 L CA 0.220 54.863 54.840 -0.328 0.000 0.836 276 L CB 1.090 42.606 42.059 -0.904 0.000 1.112 276 L HN 0.431 nan 8.230 nan 0.000 0.465 277 S N 0.728 116.457 115.700 0.048 0.000 2.521 277 S HA 0.384 4.854 4.470 -0.000 0.000 0.295 277 S C 0.837 175.637 174.600 0.334 0.000 1.098 277 S CA -0.473 57.838 58.200 0.184 0.000 0.999 277 S CB 1.350 64.618 63.200 0.113 0.000 1.034 277 S HN 0.580 nan 8.310 nan 0.000 0.483 278 S N 2.863 118.746 115.700 0.306 0.000 2.474 278 S HA -0.045 4.425 4.470 -0.000 0.000 0.235 278 S C 1.528 176.208 174.600 0.132 0.000 0.997 278 S CA 0.872 59.183 58.200 0.185 0.000 0.949 278 S CB -0.110 63.150 63.200 0.100 0.000 0.766 278 S HN 0.591 nan 8.310 nan 0.000 0.517 279 V N 0.868 120.857 119.914 0.125 0.000 2.575 279 V HA 0.075 4.194 4.120 -0.000 0.000 0.242 279 V C 1.388 177.532 176.094 0.085 0.000 1.045 279 V CA 1.318 63.671 62.300 0.088 0.000 1.065 279 V CB -0.142 31.722 31.823 0.068 0.000 0.717 279 V HN 0.600 nan 8.190 nan 0.000 0.467 280 T N -0.989 113.623 114.554 0.096 0.000 2.950 280 T HA 0.351 4.701 4.350 -0.000 0.000 0.288 280 T C -0.280 174.491 174.700 0.118 0.000 1.035 280 T CA -0.732 61.416 62.100 0.081 0.000 1.028 280 T CB 1.434 70.338 68.868 0.060 0.000 1.109 280 T HN 0.132 nan 8.240 nan 0.000 0.514 281 N N 1.859 120.620 118.700 0.101 0.000 2.470 281 N HA 0.409 5.149 4.740 -0.000 0.000 0.268 281 N C 0.219 175.811 175.510 0.137 0.000 1.136 281 N CA -0.057 53.089 53.050 0.161 0.000 0.961 281 N CB 0.989 39.537 38.487 0.102 0.000 1.067 281 N HN 0.962 nan 8.380 nan 0.000 0.468 282 A N 2.082 124.993 122.820 0.151 0.000 2.598 282 A HA 0.069 4.389 4.320 -0.000 0.000 0.239 282 A C 0.819 178.464 177.584 0.102 0.000 1.032 282 A CA 0.217 52.315 52.037 0.102 0.000 0.760 282 A CB -0.381 18.660 19.000 0.069 0.000 0.946 282 A HN 0.632 nan 8.150 nan 0.000 0.512 283 T N 1.337 115.953 114.554 0.102 0.000 2.744 283 T HA 0.558 4.908 4.350 -0.000 0.000 0.291 283 T C 0.050 174.833 174.700 0.139 0.000 0.957 283 T CA -0.344 61.822 62.100 0.111 0.000 1.002 283 T CB 0.621 69.558 68.868 0.114 0.000 0.919 283 T HN 0.486 nan 8.240 nan 0.000 0.468 284 S N 4.066 119.842 115.700 0.127 0.000 2.508 284 S HA 0.561 5.030 4.470 -0.000 0.000 0.284 284 S C -0.020 174.715 174.600 0.225 0.000 1.192 284 S CA -0.880 57.413 58.200 0.156 0.000 1.070 284 S CB 0.394 63.636 63.200 0.070 0.000 1.004 284 S HN 0.663 nan 8.310 nan 0.000 0.493 285 I N 3.042 123.757 120.570 0.242 0.000 2.336 285 I HA 0.310 4.480 4.170 -0.000 0.000 0.292 285 I C 0.456 176.675 176.117 0.169 0.000 0.991 285 I CA -0.395 61.054 61.300 0.248 0.000 1.227 285 I CB 1.192 39.399 38.000 0.345 0.000 1.366 285 I HN 0.660 nan 8.210 nan 0.000 0.466 286 Q N 6.092 125.972 119.800 0.134 0.000 2.261 286 Q HA 0.498 4.838 4.340 -0.000 0.000 0.252 286 Q C -1.096 174.841 176.000 -0.104 0.000 0.915 286 Q CA -0.437 55.271 55.803 -0.158 0.000 0.915 286 Q CB 1.348 29.948 28.738 -0.231 0.000 1.204 286 Q HN 0.547 nan 8.270 nan 0.000 0.421 287 I N 4.178 124.672 120.570 -0.127 0.000 2.330 287 I HA 0.218 4.387 4.170 -0.000 0.000 0.289 287 I C 0.240 176.322 176.117 -0.059 0.000 1.001 287 I CA -0.654 60.629 61.300 -0.028 0.000 1.193 287 I CB 1.512 39.536 38.000 0.039 0.000 1.345 287 I HN 0.680 nan 8.210 nan 0.000 0.461 288 T N 2.937 117.418 114.554 -0.121 0.000 2.922 288 T HA 0.671 5.020 4.350 -0.000 0.000 0.285 288 T C 0.295 174.747 174.700 -0.413 0.000 1.005 288 T CA -0.827 61.140 62.100 -0.221 0.000 1.061 288 T CB 1.749 70.499 68.868 -0.196 0.000 1.007 288 T HN 0.602 nan 8.240 nan 0.000 0.502 289 A N 3.615 125.963 122.820 -0.785 0.000 2.466 289 A HA 0.526 4.846 4.320 -0.000 0.000 0.238 289 A C -1.869 175.254 177.584 -0.769 0.000 1.074 289 A CA -1.346 49.861 52.037 -1.383 0.000 0.774 289 A CB -0.761 17.153 19.000 -1.809 0.000 1.015 289 A HN 0.798 nan 8.150 nan 0.000 0.498 290 P HA 0.130 nan 4.420 nan 0.000 0.270 290 P C 0.759 177.852 177.300 -0.346 0.000 1.223 290 P CA 0.571 63.446 63.100 -0.375 0.000 0.785 290 P CB 0.691 32.230 31.700 -0.268 0.000 0.923 291 A N 2.454 125.133 122.820 -0.234 0.000 1.986 291 A HA -0.206 4.114 4.320 -0.000 0.000 0.220 291 A C 2.184 179.652 177.584 -0.193 0.000 1.171 291 A CA 2.339 54.256 52.037 -0.200 0.000 0.640 291 A CB -1.721 17.196 19.000 -0.138 0.000 0.811 291 A HN 0.670 nan 8.150 nan 0.000 0.451 292 S N -1.369 114.235 115.700 -0.159 0.000 2.447 292 S HA -0.074 4.396 4.470 -0.000 0.000 0.233 292 S C 1.773 176.279 174.600 -0.157 0.000 1.006 292 S CA 1.449 59.575 58.200 -0.122 0.000 0.957 292 S CB -0.279 62.917 63.200 -0.008 0.000 0.773 292 S HN 0.411 nan 8.310 nan 0.000 0.507 293 M N 0.944 120.389 119.600 -0.259 0.000 2.429 293 M HA 0.338 4.818 4.480 -0.000 0.000 0.265 293 M C 2.040 178.002 176.300 -0.564 0.000 1.120 293 M CA 0.776 55.847 55.300 -0.381 0.000 1.173 293 M CB -1.151 31.111 32.600 -0.564 0.000 1.343 293 M HN 0.324 nan 8.290 nan 0.000 0.464 294 L N -0.085 120.812 121.223 -0.543 0.000 2.353 294 L HA -0.140 4.200 4.340 -0.000 0.000 0.220 294 L C 2.281 179.045 176.870 -0.176 0.000 1.133 294 L CA 0.305 54.909 54.840 -0.393 0.000 0.798 294 L CB -0.535 41.346 42.059 -0.296 0.000 0.922 294 L HN 0.240 nan 8.230 nan 0.000 0.445 295 I N -0.035 120.438 120.570 -0.161 0.000 2.850 295 I HA -0.059 4.111 4.170 -0.000 0.000 0.266 295 I C 1.003 177.088 176.117 -0.053 0.000 1.257 295 I CA 0.953 62.194 61.300 -0.098 0.000 1.465 295 I CB -0.653 37.282 38.000 -0.108 0.000 1.091 295 I HN 0.273 nan 8.210 nan 0.000 0.467 296 G N -0.627 108.162 108.800 -0.019 0.000 2.634 296 G HA2 0.206 4.165 3.960 -0.000 0.000 0.309 296 G HA3 0.206 4.165 3.960 -0.000 0.000 0.309 296 G C -1.451 173.533 174.900 0.141 0.000 1.299 296 G CA -0.584 44.533 45.100 0.029 0.000 0.798 296 G HN -0.004 nan 8.290 nan 0.000 0.490 297 D N 1.266 121.698 120.400 0.053 0.000 2.443 297 D HA 0.433 5.072 4.640 -0.000 0.000 0.239 297 D C 0.390 176.675 176.300 -0.025 0.000 1.136 297 D CA 0.830 54.809 54.000 -0.035 0.000 0.879 297 D CB 0.395 41.123 40.800 -0.121 0.000 1.195 297 D HN 0.542 nan 8.370 nan 0.000 0.443 298 H N -0.831 118.103 119.070 -0.226 0.000 2.948 298 H HA 0.435 4.991 4.556 -0.000 0.000 0.315 298 H C -1.336 173.839 175.328 -0.256 0.000 1.360 298 H CA -0.798 55.126 56.048 -0.207 0.000 1.125 298 H CB 0.207 29.991 29.762 0.037 0.000 1.844 298 H HN 0.312 nan 8.280 nan 0.000 0.529 299 Y N -0.182 120.327 120.300 0.350 0.000 2.602 299 Y HA 0.457 5.007 4.550 -0.000 0.000 0.342 299 Y C -0.366 175.760 175.900 0.377 0.000 1.029 299 Y CA -1.214 57.083 58.100 0.328 0.000 1.080 299 Y CB 1.823 40.340 38.460 0.095 0.000 1.284 299 Y HN 0.483 nan 8.280 nan 0.000 0.485 300 L N 2.266 123.763 121.223 0.457 0.000 2.275 300 L HA 0.454 4.794 4.340 -0.000 0.000 0.288 300 L C 0.295 177.309 176.870 0.241 0.000 1.046 300 L CA -0.304 54.458 54.840 -0.131 0.000 0.805 300 L CB 0.688 42.603 42.059 -0.240 0.000 1.193 300 L HN 0.989 nan 8.230 nan 0.000 0.426 301 C N 0.812 120.115 119.300 0.006 0.000 3.364 301 C HA 0.607 5.066 4.460 -0.000 0.000 0.340 301 C C 0.209 175.205 174.990 0.009 0.000 1.336 301 C CA -0.053 59.053 59.018 0.148 0.000 1.778 301 C CB -0.982 26.803 27.740 0.075 0.000 2.398 301 C HN 0.883 nan 8.230 nan 0.000 0.667 302 D N -0.224 120.016 120.400 -0.267 0.000 2.803 302 D HA 0.566 5.206 4.640 -0.000 0.000 0.218 302 D C -1.540 174.359 176.300 -0.669 0.000 1.245 302 D CA -0.167 53.593 54.000 -0.399 0.000 0.821 302 D CB 2.241 42.874 40.800 -0.279 0.000 1.626 302 D HN 0.035 nan 8.370 nan 0.000 0.487 303 V N 2.523 121.941 119.914 -0.825 0.000 2.525 303 V HA 0.674 4.794 4.120 -0.000 0.000 0.299 303 V C -0.533 175.114 176.094 -0.746 0.000 1.034 303 V CA -0.506 61.152 62.300 -1.069 0.000 0.863 303 V CB 1.890 32.563 31.823 -1.916 0.000 0.999 303 V HN 0.717 nan 8.190 nan 0.000 0.423 304 T N 3.363 117.575 114.554 -0.569 0.000 2.937 304 T HA 0.391 4.741 4.350 -0.000 0.000 0.297 304 T C -0.879 173.640 174.700 -0.302 0.000 0.991 304 T CA -0.445 61.487 62.100 -0.280 0.000 0.990 304 T CB 0.951 69.746 68.868 -0.122 0.000 0.991 304 T HN 0.534 nan 8.240 nan 0.000 0.440 305 W N 1.931 123.169 121.300 -0.103 0.000 2.238 305 W HA 0.485 5.145 4.660 -0.000 0.000 0.321 305 W C 1.123 177.512 176.519 -0.218 0.000 1.293 305 W CA -0.426 56.852 57.345 -0.111 0.000 1.204 305 W CB 0.615 30.090 29.460 0.026 0.000 1.167 305 W HN 0.856 nan 8.180 nan 0.000 0.553 306 A N 1.979 124.674 122.820 -0.208 0.000 1.942 306 A HA 0.215 4.535 4.320 -0.000 0.000 0.209 306 A C 0.848 178.366 177.584 -0.109 0.000 1.214 306 A CA 1.500 53.168 52.037 -0.616 0.000 0.686 306 A CB -0.288 17.829 19.000 -1.472 0.000 0.871 306 A HN 0.538 nan 8.150 nan 0.000 0.460 307 T N -5.702 108.894 114.554 0.070 0.000 2.647 307 T HA 0.321 4.671 4.350 -0.000 0.000 0.295 307 T C 0.118 174.951 174.700 0.222 0.000 1.126 307 T CA -0.370 61.812 62.100 0.136 0.000 1.040 307 T CB 0.563 69.494 68.868 0.106 0.000 1.472 307 T HN -0.058 nan 8.240 nan 0.000 0.500 308 Q N 0.464 120.364 119.800 0.167 0.000 2.226 308 Q HA -0.012 4.328 4.340 -0.000 0.000 0.204 308 Q C 0.877 177.075 176.000 0.329 0.000 0.975 308 Q CA 1.538 57.442 55.803 0.170 0.000 0.866 308 Q CB -0.154 28.658 28.738 0.124 0.000 0.915 308 Q HN 0.820 nan 8.270 nan 0.000 0.440 309 E N -0.044 120.355 120.200 0.332 0.000 2.812 309 E HA 0.206 4.556 4.350 -0.000 0.000 0.211 309 E C -0.212 176.631 176.600 0.405 0.000 0.986 309 E CA -0.186 56.419 56.400 0.341 0.000 1.119 309 E CB 0.925 30.742 29.700 0.194 0.000 1.046 309 E HN -0.018 nan 8.360 nan 0.000 0.474 310 R N 1.665 122.460 120.500 0.491 0.000 2.515 310 R HA 0.476 4.816 4.340 -0.000 0.000 0.291 310 R C -1.743 174.631 176.300 0.123 0.000 1.046 310 R CA -0.419 55.853 56.100 0.288 0.000 0.914 310 R CB 1.217 31.556 30.300 0.065 0.000 1.191 310 R HN 0.076 nan 8.270 nan 0.000 0.435 311 I N 3.164 123.646 120.570 -0.146 0.000 2.569 311 I HA 0.460 4.630 4.170 -0.000 0.000 0.296 311 I C -0.912 174.910 176.117 -0.493 0.000 1.028 311 I CA -0.480 60.424 61.300 -0.661 0.000 1.082 311 I CB 2.122 39.279 38.000 -1.405 0.000 1.264 311 I HN 0.814 nan 8.210 nan 0.000 0.429 312 S N 7.741 123.133 115.700 -0.513 0.000 2.473 312 S HA 0.730 5.200 4.470 -0.000 0.000 0.307 312 S C -1.037 173.258 174.600 -0.509 0.000 1.094 312 S CA -0.723 57.254 58.200 -0.372 0.000 1.070 312 S CB 1.339 64.438 63.200 -0.168 0.000 1.019 312 S HN 0.558 nan 8.310 nan 0.000 0.480 313 L N 2.563 123.503 121.223 -0.471 0.000 2.346 313 L HA 0.578 4.918 4.340 -0.000 0.000 0.274 313 L C -0.145 176.458 176.870 -0.446 0.000 1.007 313 L CA -0.744 53.716 54.840 -0.633 0.000 0.818 313 L CB 1.967 43.583 42.059 -0.739 0.000 1.284 313 L HN 0.668 nan 8.230 nan 0.000 0.424 314 Q N 1.490 120.959 119.800 -0.552 0.000 2.316 314 Q HA 0.436 4.776 4.340 -0.000 0.000 0.264 314 Q C -1.743 174.008 176.000 -0.415 0.000 0.987 314 Q CA -0.550 55.056 55.803 -0.329 0.000 0.852 314 Q CB 2.371 30.964 28.738 -0.242 0.000 1.287 314 Q HN 0.424 nan 8.270 nan 0.000 0.448 315 W N 2.487 123.752 121.300 -0.058 0.000 2.689 315 W HA 0.641 5.301 4.660 -0.000 0.000 0.340 315 W C -0.786 175.788 176.519 0.091 0.000 1.060 315 W CA -0.520 56.848 57.345 0.039 0.000 1.218 315 W CB 1.274 30.738 29.460 0.007 0.000 1.410 315 W HN 0.317 nan 8.180 nan 0.000 0.528 316 L N 3.250 124.724 121.223 0.417 0.000 2.410 316 L HA 0.541 4.881 4.340 -0.000 0.000 0.270 316 L C 0.208 177.298 176.870 0.366 0.000 0.983 316 L CA -1.068 53.980 54.840 0.348 0.000 0.822 316 L CB 1.532 43.790 42.059 0.332 0.000 1.285 316 L HN 0.495 nan 8.230 nan 0.000 0.409 317 R N 1.863 122.538 120.500 0.292 0.000 2.774 317 R HA 0.105 4.445 4.340 -0.000 0.000 0.269 317 R C 0.922 177.307 176.300 0.141 0.000 1.068 317 R CA -0.142 56.072 56.100 0.190 0.000 1.180 317 R CB 0.683 31.069 30.300 0.143 0.000 1.077 317 R HN 0.588 nan 8.270 nan 0.000 0.513 318 R N 1.117 121.618 120.500 0.001 0.000 2.092 318 R HA -0.024 4.316 4.340 -0.000 0.000 0.231 318 R C 0.368 176.734 176.300 0.110 0.000 1.119 318 R CA 1.105 57.195 56.100 -0.018 0.000 0.970 318 R CB 0.013 30.251 30.300 -0.104 0.000 0.864 318 R HN 0.482 nan 8.270 nan 0.000 0.440 319 I N 2.630 123.246 120.570 0.078 0.000 2.329 319 I HA -0.001 4.168 4.170 -0.000 0.000 0.295 319 I C 0.258 176.447 176.117 0.120 0.000 1.109 319 I CA 0.234 61.581 61.300 0.079 0.000 1.297 319 I CB 1.336 39.366 38.000 0.050 0.000 1.433 319 I HN 0.226 nan 8.210 nan 0.000 0.509 320 Q N 4.839 124.711 119.800 0.120 0.000 2.292 320 Q HA -0.023 4.317 4.340 -0.000 0.000 0.235 320 Q C 0.471 176.566 176.000 0.158 0.000 0.910 320 Q CA -0.024 55.867 55.803 0.148 0.000 0.952 320 Q CB -0.440 28.351 28.738 0.087 0.000 1.089 320 Q HN 0.657 nan 8.270 nan 0.000 0.431 321 N N -0.578 118.214 118.700 0.154 0.000 2.234 321 N HA -0.020 4.720 4.740 -0.000 0.000 0.227 321 N C -1.088 174.538 175.510 0.192 0.000 1.151 321 N CA -0.232 52.898 53.050 0.133 0.000 0.865 321 N CB 0.270 38.808 38.487 0.085 0.000 1.066 321 N HN 0.221 nan 8.380 nan 0.000 0.515 322 Y N 0.824 121.160 120.300 0.060 0.000 2.323 322 Y HA 0.478 5.028 4.550 -0.000 0.000 0.322 322 Y C -1.229 174.716 175.900 0.076 0.000 1.133 322 Y CA -0.798 57.334 58.100 0.054 0.000 1.093 322 Y CB 1.251 39.733 38.460 0.037 0.000 1.203 322 Y HN 0.169 nan 8.280 nan 0.000 0.427 323 S N 3.969 119.581 115.700 -0.147 0.000 2.632 323 S HA 0.942 5.412 4.470 -0.000 0.000 0.289 323 S C -1.911 172.594 174.600 -0.159 0.000 1.115 323 S CA -0.765 57.419 58.200 -0.027 0.000 0.889 323 S CB 2.133 65.349 63.200 0.027 0.000 1.116 323 S HN 0.461 nan 8.310 nan 0.000 0.486 324 V N 2.238 122.154 119.914 0.002 0.000 2.760 324 V HA 0.518 4.637 4.120 -0.000 0.000 0.309 324 V C -0.603 175.519 176.094 0.046 0.000 1.077 324 V CA -0.651 61.644 62.300 -0.008 0.000 0.910 324 V CB 1.943 33.787 31.823 0.035 0.000 1.008 324 V HN 1.035 nan 8.190 nan 0.000 0.424 325 M N 3.572 123.168 119.600 -0.007 0.000 2.209 325 M HA 0.515 4.995 4.480 -0.000 0.000 0.355 325 M C -1.271 175.034 176.300 0.008 0.000 1.171 325 M CA -0.218 55.057 55.300 -0.041 0.000 1.069 325 M CB 1.149 33.660 32.600 -0.149 0.000 1.622 325 M HN 0.617 nan 8.290 nan 0.000 0.459 326 D N 4.793 125.192 120.400 -0.002 0.000 2.278 326 D HA 0.449 5.089 4.640 -0.000 0.000 0.245 326 D C -1.263 175.006 176.300 -0.052 0.000 1.052 326 D CA -0.210 53.785 54.000 -0.008 0.000 0.834 326 D CB 1.696 42.506 40.800 0.017 0.000 1.194 326 D HN 0.503 nan 8.370 nan 0.000 0.481 327 I N 2.734 123.298 120.570 -0.010 0.000 2.339 327 I HA 0.218 4.388 4.170 -0.000 0.000 0.290 327 I C -0.425 175.690 176.117 -0.002 0.000 0.994 327 I CA -0.225 61.069 61.300 -0.011 0.000 1.191 327 I CB 1.023 39.067 38.000 0.074 0.000 1.343 327 I HN 0.286 nan 8.210 nan 0.000 0.458 328 c N 4.408 123.000 118.600 -0.013 0.000 2.345 328 c HA 0.536 5.106 4.570 -0.000 0.000 0.323 328 c C -0.378 173.862 174.090 0.250 0.000 1.276 328 c CA -0.804 55.582 56.329 0.095 0.000 1.543 328 c CB 0.603 43.151 42.510 0.063 0.000 2.211 328 c HN 0.620 nan 8.230 nan 0.000 0.493 329 D N 0.907 121.428 120.400 0.202 0.000 2.192 329 D HA 0.332 4.972 4.640 -0.000 0.000 0.246 329 D C -0.499 175.737 176.300 -0.105 0.000 1.042 329 D CA -0.169 53.896 54.000 0.108 0.000 0.847 329 D CB 0.727 41.540 40.800 0.022 0.000 1.186 329 D HN 0.544 nan 8.370 nan 0.000 0.461 330 Y N 1.914 121.794 120.300 -0.701 0.000 2.511 330 Y HA 0.163 4.713 4.550 -0.000 0.000 0.332 330 Y C -0.062 175.506 175.900 -0.553 0.000 1.177 330 Y CA 0.072 57.407 58.100 -1.275 0.000 1.422 330 Y CB 0.664 38.273 38.460 -1.418 0.000 1.271 330 Y HN 0.230 nan 8.280 nan 0.000 0.550 331 D N 5.648 125.350 120.400 -1.164 0.000 2.392 331 D HA 0.114 4.754 4.640 -0.000 0.000 0.228 331 D C 0.355 175.991 176.300 -1.107 0.000 1.074 331 D CA -0.131 53.391 54.000 -0.797 0.000 0.838 331 D CB 0.982 41.511 40.800 -0.452 0.000 1.067 331 D HN 0.834 nan 8.370 nan 0.000 0.511 332 E N 1.335 121.131 120.200 -0.672 0.000 2.085 332 E HA -0.174 4.176 4.350 -0.000 0.000 0.194 332 E C 1.711 178.170 176.600 -0.235 0.000 0.994 332 E CA 1.424 57.611 56.400 -0.356 0.000 0.801 332 E CB 0.225 29.876 29.700 -0.082 0.000 0.743 332 E HN 0.508 nan 8.360 nan 0.000 0.453 333 S N 0.449 116.024 115.700 -0.207 0.000 2.414 333 S HA -0.071 4.399 4.470 -0.000 0.000 0.227 333 S C 2.095 176.632 174.600 -0.105 0.000 1.022 333 S CA 0.998 59.129 58.200 -0.116 0.000 0.958 333 S CB 0.056 63.203 63.200 -0.088 0.000 0.797 333 S HN 0.222 nan 8.310 nan 0.000 0.493 334 S N 0.236 115.842 115.700 -0.157 0.000 2.511 334 S HA 0.473 4.943 4.470 -0.000 0.000 0.214 334 S C 1.621 176.180 174.600 -0.069 0.000 0.997 334 S CA 0.497 58.639 58.200 -0.097 0.000 0.908 334 S CB -0.265 62.879 63.200 -0.094 0.000 0.803 334 S HN 1.262 nan 8.310 nan 0.000 0.504 335 G N 1.182 109.902 108.800 -0.132 0.000 2.168 335 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.263 335 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.263 335 G C 0.214 175.172 174.900 0.096 0.000 0.977 335 G CA 0.512 45.633 45.100 0.035 0.000 0.659 335 G HN 0.632 nan 8.290 nan 0.000 0.533 336 R N -1.868 118.590 120.500 -0.071 0.000 2.705 336 R HA 0.716 5.056 4.340 -0.000 0.000 0.246 336 R C -0.846 175.419 176.300 -0.059 0.000 1.142 336 R CA -0.740 55.398 56.100 0.062 0.000 1.114 336 R CB 0.701 31.030 30.300 0.048 0.000 1.256 336 R HN 0.175 nan 8.270 nan 0.000 0.536 337 W N 0.318 121.637 121.300 0.031 0.000 2.600 337 W HA 0.429 5.089 4.660 -0.000 0.000 0.325 337 W C -0.751 175.756 176.519 -0.020 0.000 1.034 337 W CA -0.454 56.905 57.345 0.023 0.000 1.226 337 W CB 1.332 30.812 29.460 0.034 0.000 1.379 337 W HN 0.255 nan 8.180 nan 0.000 0.466 338 N N 2.083 120.862 118.700 0.132 0.000 2.362 338 N HA 0.480 5.220 4.740 -0.000 0.000 0.298 338 N C -1.423 174.124 175.510 0.063 0.000 1.048 338 N CA -0.472 52.615 53.050 0.063 0.000 0.858 338 N CB 1.747 40.232 38.487 -0.003 0.000 1.218 338 N HN 0.233 nan 8.380 nan 0.000 0.488 339 c N 2.855 121.472 118.600 0.028 0.000 2.317 339 c HA 0.330 4.900 4.570 -0.000 0.000 0.306 339 c C 0.062 174.143 174.090 -0.015 0.000 1.087 339 c CA -1.024 55.309 56.329 0.007 0.000 1.529 339 c CB -0.823 41.677 42.510 -0.015 0.000 1.880 339 c HN 0.456 nan 8.230 nan 0.000 0.417 340 L N 3.095 124.312 121.223 -0.009 0.000 2.534 340 L HA 0.039 4.379 4.340 -0.000 0.000 0.271 340 L C 1.624 178.473 176.870 -0.035 0.000 1.178 340 L CA 0.649 55.477 54.840 -0.020 0.000 0.907 340 L CB 0.193 42.245 42.059 -0.012 0.000 1.164 340 L HN 0.562 nan 8.230 nan 0.000 0.482 341 V N 4.639 124.527 119.914 -0.045 0.000 2.317 341 V HA -0.345 3.775 4.120 -0.000 0.000 0.251 341 V C 2.332 178.385 176.094 -0.069 0.000 1.065 341 V CA 2.166 64.432 62.300 -0.057 0.000 1.049 341 V CB -0.533 31.258 31.823 -0.053 0.000 0.651 341 V HN 0.996 nan 8.190 nan 0.000 0.450 342 A N -0.552 122.234 122.820 -0.057 0.000 2.178 342 A HA -0.134 4.186 4.320 -0.000 0.000 0.218 342 A C 1.987 179.517 177.584 -0.089 0.000 1.157 342 A CA 1.107 53.105 52.037 -0.065 0.000 0.689 342 A CB -0.330 18.646 19.000 -0.039 0.000 0.787 342 A HN 0.595 nan 8.150 nan 0.000 0.465 343 R N -0.502 119.953 120.500 -0.075 0.000 2.546 343 R HA 0.182 4.522 4.340 -0.000 0.000 0.320 343 R C -0.236 175.995 176.300 -0.114 0.000 1.021 343 R CA -0.155 55.909 56.100 -0.060 0.000 1.088 343 R CB 0.253 30.576 30.300 0.039 0.000 1.278 343 R HN 0.571 nan 8.270 nan 0.000 0.557 344 Q N 0.798 120.486 119.800 -0.186 0.000 2.299 344 Q HA 0.176 4.515 4.340 -0.000 0.000 0.246 344 Q C -0.591 175.192 176.000 -0.363 0.000 0.935 344 Q CA 0.137 55.844 55.803 -0.160 0.000 0.887 344 Q CB 1.070 29.744 28.738 -0.106 0.000 1.223 344 Q HN 0.203 nan 8.270 nan 0.000 0.439 345 H N 2.450 121.488 119.070 -0.053 0.000 2.744 345 H HA 0.347 4.903 4.556 -0.000 0.000 0.339 345 H C -0.759 174.501 175.328 -0.113 0.000 1.004 345 H CA -0.471 55.536 56.048 -0.070 0.000 1.257 345 H CB 0.948 30.642 29.762 -0.114 0.000 1.552 345 H HN 0.507 nan 8.280 nan 0.000 0.522 346 I N 2.328 122.880 120.570 -0.030 0.000 2.365 346 I HA 0.102 4.272 4.170 -0.000 0.000 0.291 346 I C 0.513 176.552 176.117 -0.131 0.000 1.004 346 I CA 0.085 61.284 61.300 -0.167 0.000 1.311 346 I CB 1.095 38.966 38.000 -0.215 0.000 1.401 346 I HN 0.456 nan 8.210 nan 0.000 0.491 347 E N 8.469 128.550 120.200 -0.200 0.000 2.185 347 E HA 0.514 4.864 4.350 -0.000 0.000 0.261 347 E C -1.069 175.431 176.600 -0.167 0.000 0.879 347 E CA -0.690 55.642 56.400 -0.114 0.000 0.756 347 E CB 1.271 30.935 29.700 -0.060 0.000 1.152 347 E HN 0.625 nan 8.360 nan 0.000 0.416 348 M N 1.568 121.105 119.600 -0.106 0.000 2.755 348 M HA 0.677 5.157 4.480 -0.000 0.000 0.298 348 M C -1.157 175.143 176.300 -0.001 0.000 1.251 348 M CA -0.821 54.448 55.300 -0.052 0.000 0.817 348 M CB 2.322 34.917 32.600 -0.009 0.000 1.760 348 M HN 0.272 nan 8.290 nan 0.000 0.473 349 S N -0.516 115.192 115.700 0.013 0.000 2.540 349 S HA 0.543 5.013 4.470 -0.000 0.000 0.275 349 S C 0.039 174.627 174.600 -0.019 0.000 1.123 349 S CA 0.056 58.245 58.200 -0.017 0.000 0.907 349 S CB 1.824 64.976 63.200 -0.079 0.000 1.081 349 S HN 0.939 nan 8.310 nan 0.000 0.476 350 T N -0.313 114.229 114.554 -0.020 0.000 3.040 350 T HA 0.133 4.482 4.350 -0.000 0.000 0.250 350 T C 1.217 175.890 174.700 -0.045 0.000 1.058 350 T CA 0.771 62.862 62.100 -0.015 0.000 0.988 350 T CB -0.270 68.600 68.868 0.004 0.000 0.993 350 T HN 0.703 nan 8.240 nan 0.000 0.519 351 T N -2.394 112.106 114.554 -0.090 0.000 3.010 351 T HA 0.649 4.998 4.350 -0.000 0.000 0.257 351 T C 1.006 175.472 174.700 -0.390 0.000 1.020 351 T CA 0.204 62.237 62.100 -0.111 0.000 0.938 351 T CB 0.740 69.627 68.868 0.032 0.000 1.049 351 T HN 0.617 nan 8.240 nan 0.000 0.522 352 G N 0.629 109.053 108.800 -0.627 0.000 2.562 352 G HA2 0.467 4.427 3.960 -0.000 0.000 0.190 352 G HA3 0.467 4.427 3.960 -0.000 0.000 0.190 352 G C -1.686 172.963 174.900 -0.418 0.000 1.196 352 G CA -0.537 44.039 45.100 -0.873 0.000 0.986 352 G HN 0.453 nan 8.290 nan 0.000 0.512 353 W N -0.376 120.701 121.300 -0.373 0.000 2.353 353 W HA 0.779 5.439 4.660 -0.000 0.000 0.377 353 W C -0.060 176.433 176.519 -0.044 0.000 1.375 353 W CA -1.172 56.081 57.345 -0.154 0.000 1.503 353 W CB 0.837 30.196 29.460 -0.169 0.000 1.345 353 W HN 0.538 nan 8.180 nan 0.000 0.683 354 V N 2.671 122.691 119.914 0.177 0.000 2.427 354 V HA 0.804 4.923 4.120 -0.000 0.000 0.286 354 V C 0.311 176.507 176.094 0.169 0.000 1.034 354 V CA 0.386 62.737 62.300 0.086 0.000 0.893 354 V CB 0.274 32.139 31.823 0.072 0.000 0.982 354 V HN 1.740 nan 8.190 nan 0.000 0.452 355 G N 6.157 115.009 108.800 0.086 0.000 2.756 355 G HA2 -0.183 3.776 3.960 -0.000 0.000 0.678 355 G HA3 -0.183 3.776 3.960 -0.000 0.000 0.678 355 G C 0.208 175.218 174.900 0.183 0.000 1.349 355 G CA 0.178 45.356 45.100 0.131 0.000 0.847 355 G HN 0.921 nan 8.290 nan 0.000 0.548 356 R N -0.683 119.919 120.500 0.171 0.000 2.061 356 R HA 0.082 4.422 4.340 -0.000 0.000 0.230 356 R C 2.019 178.338 176.300 0.032 0.000 1.140 356 R CA 2.270 58.431 56.100 0.102 0.000 0.940 356 R CB -0.125 30.265 30.300 0.151 0.000 0.839 356 R HN 0.488 nan 8.270 nan 0.000 0.429 357 F N -0.968 119.139 119.950 0.263 0.000 2.778 357 F HA 0.258 4.785 4.527 -0.000 0.000 0.314 357 F C 0.590 176.444 175.800 0.090 0.000 1.073 357 F CA -0.467 57.630 58.000 0.162 0.000 1.218 357 F CB 0.732 39.820 39.000 0.146 0.000 1.037 357 F HN -0.095 nan 8.300 nan 0.000 0.594 358 R N -0.683 119.988 120.500 0.284 0.000 2.712 358 R HA 0.440 4.780 4.340 -0.000 0.000 0.272 358 R C -3.357 173.034 176.300 0.151 0.000 1.032 358 R CA -1.944 54.259 56.100 0.170 0.000 0.874 358 R CB 0.355 30.732 30.300 0.127 0.000 1.256 358 R HN -0.346 nan 8.270 nan 0.000 0.468 359 P HA -0.047 nan 4.420 nan 0.000 0.265 359 P C -0.151 177.179 177.300 0.050 0.000 1.187 359 P CA 0.196 63.331 63.100 0.058 0.000 0.766 359 P CB 0.650 32.356 31.700 0.011 0.000 0.820 360 S N 1.700 117.433 115.700 0.055 0.000 2.600 360 S HA 0.177 4.647 4.470 -0.000 0.000 0.265 360 S C 0.151 174.750 174.600 -0.002 0.000 1.325 360 S CA -0.669 57.572 58.200 0.069 0.000 1.002 360 S CB 0.430 63.696 63.200 0.110 0.000 0.921 360 S HN 0.529 nan 8.310 nan 0.000 0.554 361 E N 1.107 121.312 120.200 0.008 0.000 2.266 361 E HA 0.423 4.773 4.350 -0.000 0.000 0.277 361 E C -2.878 173.636 176.600 -0.142 0.000 1.018 361 E CA -2.342 53.994 56.400 -0.108 0.000 0.840 361 E CB 0.596 30.225 29.700 -0.119 0.000 1.082 361 E HN 0.433 nan 8.360 nan 0.000 0.395 362 P HA 0.228 nan 4.420 nan 0.000 0.282 362 P C -0.762 176.334 177.300 -0.340 0.000 1.249 362 P CA -0.264 62.621 63.100 -0.358 0.000 0.806 362 P CB 0.653 31.773 31.700 -0.966 0.000 0.984 363 H N 2.254 121.321 119.070 -0.005 0.000 2.685 363 H HA 0.286 4.842 4.556 -0.000 0.000 0.307 363 H C -0.202 175.231 175.328 0.175 0.000 1.017 363 H CA -0.349 55.785 56.048 0.142 0.000 1.237 363 H CB 0.243 30.119 29.762 0.190 0.000 1.409 363 H HN 0.313 nan 8.280 nan 0.000 0.488 364 F N 1.901 122.012 119.950 0.270 0.000 2.418 364 F HA 0.038 4.564 4.527 -0.000 0.000 0.341 364 F C 1.602 177.573 175.800 0.284 0.000 1.120 364 F CA -0.376 57.782 58.000 0.263 0.000 1.232 364 F CB 0.900 39.993 39.000 0.156 0.000 1.175 364 F HN 0.369 nan 8.300 nan 0.000 0.569 365 T N 1.101 115.930 114.554 0.457 0.000 2.860 365 T HA 0.092 4.442 4.350 -0.000 0.000 0.299 365 T C 1.430 176.316 174.700 0.309 0.000 1.045 365 T CA -0.843 61.478 62.100 0.368 0.000 1.071 365 T CB 0.756 69.815 68.868 0.318 0.000 0.985 365 T HN 0.676 nan 8.240 nan 0.000 0.537 366 L N 1.030 122.394 121.223 0.237 0.000 2.010 366 L HA -0.218 4.122 4.340 -0.000 0.000 0.219 366 L C 2.281 179.252 176.870 0.168 0.000 1.077 366 L CA 2.820 57.771 54.840 0.185 0.000 0.773 366 L CB -0.796 41.350 42.059 0.146 0.000 0.892 366 L HN 0.971 nan 8.230 nan 0.000 0.436 367 D N -1.113 119.384 120.400 0.163 0.000 2.378 367 D HA -0.021 4.619 4.640 -0.000 0.000 0.227 367 D C 1.428 177.817 176.300 0.148 0.000 1.012 367 D CA 0.864 54.946 54.000 0.138 0.000 0.905 367 D CB -0.474 40.399 40.800 0.122 0.000 0.895 367 D HN 0.472 nan 8.370 nan 0.000 0.532 368 G N 0.572 109.495 108.800 0.204 0.000 2.168 368 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.257 368 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.257 368 G C 0.839 175.900 174.900 0.269 0.000 0.997 368 G CA 0.455 45.687 45.100 0.220 0.000 0.708 368 G HN 0.397 nan 8.290 nan 0.000 0.520 369 N N -0.116 118.722 118.700 0.230 0.000 2.336 369 N HA 0.213 4.953 4.740 -0.000 0.000 0.189 369 N C 0.530 176.129 175.510 0.148 0.000 1.113 369 N CA 0.902 54.060 53.050 0.181 0.000 0.858 369 N CB 0.552 39.111 38.487 0.121 0.000 0.970 369 N HN 0.405 nan 8.380 nan 0.000 0.471 370 S N -0.305 115.496 115.700 0.168 0.000 2.607 370 S HA 0.727 5.197 4.470 -0.000 0.000 0.273 370 S C -1.314 173.246 174.600 -0.067 0.000 1.148 370 S CA -0.791 57.325 58.200 -0.140 0.000 0.833 370 S CB 1.739 64.750 63.200 -0.315 0.000 1.130 370 S HN 0.214 nan 8.310 nan 0.000 0.470 371 F N -0.747 118.850 119.950 -0.588 0.000 2.678 371 F HA 0.758 5.285 4.527 -0.000 0.000 0.308 371 F C -2.162 173.322 175.800 -0.527 0.000 1.118 371 F CA -1.295 56.359 58.000 -0.577 0.000 0.959 371 F CB 0.588 38.922 39.000 -1.110 0.000 1.305 371 F HN 0.496 nan 8.300 nan 0.000 0.443 372 Y N 1.426 121.789 120.300 0.104 0.000 2.387 372 Y HA 0.707 5.257 4.550 -0.000 0.000 0.336 372 Y C -0.440 175.617 175.900 0.261 0.000 1.067 372 Y CA -0.767 57.414 58.100 0.135 0.000 1.114 372 Y CB 2.146 40.684 38.460 0.130 0.000 1.208 372 Y HN 0.714 nan 8.280 nan 0.000 0.458 373 K N 0.910 121.543 120.400 0.388 0.000 2.551 373 K HA 0.633 4.953 4.320 -0.000 0.000 0.269 373 K C -1.845 174.908 176.600 0.255 0.000 0.949 373 K CA -0.761 55.714 56.287 0.315 0.000 0.849 373 K CB 1.603 34.233 32.500 0.217 0.000 1.411 373 K HN 0.536 nan 8.250 nan 0.000 0.432 374 I N 3.332 124.026 120.570 0.207 0.000 2.416 374 I HA 0.347 4.517 4.170 -0.000 0.000 0.288 374 I C 0.092 176.315 176.117 0.178 0.000 1.051 374 I CA -0.431 60.975 61.300 0.177 0.000 1.375 374 I CB 0.297 38.380 38.000 0.138 0.000 1.407 374 I HN 0.662 nan 8.210 nan 0.000 0.516 375 I N 2.177 122.884 120.570 0.227 0.000 3.095 375 I HA 0.546 4.716 4.170 -0.000 0.000 0.310 375 I C -0.212 176.036 176.117 0.218 0.000 1.196 375 I CA -0.830 60.597 61.300 0.211 0.000 0.985 375 I CB 2.323 40.472 38.000 0.248 0.000 1.250 375 I HN 0.497 nan 8.210 nan 0.000 0.446 376 S N 2.325 118.092 115.700 0.111 0.000 2.528 376 S HA 0.326 4.796 4.470 -0.000 0.000 0.277 376 S C -0.051 174.585 174.600 0.061 0.000 1.297 376 S CA -0.701 57.506 58.200 0.013 0.000 1.052 376 S CB 0.292 63.437 63.200 -0.092 0.000 0.917 376 S HN 0.824 nan 8.310 nan 0.000 0.492 377 N N 1.794 120.406 118.700 -0.146 0.000 2.328 377 N HA 0.052 4.792 4.740 -0.000 0.000 0.277 377 N C 1.187 176.608 175.510 -0.148 0.000 1.286 377 N CA -0.301 52.519 53.050 -0.383 0.000 0.949 377 N CB 0.030 37.909 38.487 -1.012 0.000 1.136 377 N HN 0.709 nan 8.380 nan 0.000 0.550 378 E N -0.435 119.681 120.200 -0.140 0.000 2.204 378 E HA -0.227 4.123 4.350 -0.000 0.000 0.195 378 E C 0.803 177.363 176.600 -0.067 0.000 0.990 378 E CA 1.385 57.747 56.400 -0.064 0.000 0.821 378 E CB -0.603 29.070 29.700 -0.044 0.000 0.750 378 E HN 0.797 nan 8.360 nan 0.000 0.477 379 E N 0.307 120.463 120.200 -0.074 0.000 2.418 379 E HA 0.023 4.373 4.350 -0.000 0.000 0.197 379 E C 0.674 177.258 176.600 -0.026 0.000 1.026 379 E CA 0.575 56.981 56.400 0.010 0.000 0.862 379 E CB -0.113 29.655 29.700 0.113 0.000 0.799 379 E HN 0.572 nan 8.360 nan 0.000 0.518 380 G N 0.649 109.381 108.800 -0.113 0.000 2.141 380 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.242 380 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.242 380 G C -0.370 174.284 174.900 -0.410 0.000 0.982 380 G CA -0.036 44.907 45.100 -0.261 0.000 0.662 380 G HN 0.199 nan 8.290 nan 0.000 0.527 381 Y N 0.451 120.623 120.300 -0.213 0.000 2.330 381 Y HA 0.617 5.167 4.550 -0.000 0.000 0.336 381 Y C 1.202 176.940 175.900 -0.270 0.000 1.036 381 Y CA -0.858 57.096 58.100 -0.243 0.000 1.125 381 Y CB 0.983 39.301 38.460 -0.237 0.000 1.194 381 Y HN 0.089 nan 8.280 nan 0.000 0.469 382 R N 3.780 124.162 120.500 -0.197 0.000 2.370 382 R HA 0.232 4.572 4.340 -0.000 0.000 0.309 382 R C -0.713 175.350 176.300 -0.395 0.000 1.059 382 R CA 0.099 56.092 56.100 -0.178 0.000 0.981 382 R CB 0.090 30.332 30.300 -0.097 0.000 0.972 382 R HN 0.662 nan 8.270 nan 0.000 0.437 383 H N 1.647 120.699 119.070 -0.029 0.000 2.977 383 H HA 0.316 4.871 4.556 -0.000 0.000 0.350 383 H C -0.200 175.215 175.328 0.145 0.000 1.238 383 H CA -0.930 55.086 56.048 -0.054 0.000 1.124 383 H CB 1.518 31.126 29.762 -0.257 0.000 1.866 383 H HN 0.336 nan 8.280 nan 0.000 0.550 384 I N 1.439 122.126 120.570 0.195 0.000 2.452 384 I HA 0.021 4.191 4.170 -0.000 0.000 0.287 384 I C 0.420 176.612 176.117 0.125 0.000 1.079 384 I CA 0.265 61.641 61.300 0.127 0.000 1.387 384 I CB 0.172 38.156 38.000 -0.027 0.000 1.404 384 I HN 0.118 nan 8.210 nan 0.000 0.522 385 c N 7.115 125.707 118.600 -0.014 0.000 2.456 385 c HA 0.427 4.997 4.570 -0.000 0.000 0.325 385 c C -0.406 173.482 174.090 -0.337 0.000 1.217 385 c CA -0.616 55.442 56.329 -0.450 0.000 1.687 385 c CB 0.968 42.884 42.510 -0.990 0.000 2.270 385 c HN 0.692 nan 8.230 nan 0.000 0.499 386 Y N 4.318 124.223 120.300 -0.659 0.000 2.328 386 Y HA 0.660 5.210 4.550 -0.000 0.000 0.337 386 Y C -1.016 174.336 175.900 -0.914 0.000 1.008 386 Y CA -0.385 57.271 58.100 -0.740 0.000 1.129 386 Y CB 0.463 38.549 38.460 -0.624 0.000 1.185 386 Y HN 0.654 nan 8.280 nan 0.000 0.476 387 F N 3.801 122.890 119.950 -1.436 0.000 2.522 387 F HA 0.459 4.986 4.527 -0.000 0.000 0.324 387 F C -0.253 174.728 175.800 -1.365 0.000 1.077 387 F CA -0.819 56.378 58.000 -1.338 0.000 0.944 387 F CB 1.854 39.731 39.000 -1.873 0.000 1.175 387 F HN 0.353 nan 8.300 nan 0.000 0.468 388 Q N 2.228 121.686 119.800 -0.570 0.000 2.271 388 Q HA 0.274 4.614 4.340 -0.000 0.000 0.258 388 Q C 0.722 176.687 176.000 -0.059 0.000 0.936 388 Q CA -0.673 54.927 55.803 -0.338 0.000 0.909 388 Q CB 2.310 30.950 28.738 -0.163 0.000 1.253 388 Q HN 0.655 nan 8.270 nan 0.000 0.440 389 I N 1.892 122.495 120.570 0.056 0.000 2.181 389 I HA -0.338 3.832 4.170 -0.000 0.000 0.247 389 I C 1.296 177.572 176.117 0.264 0.000 1.081 389 I CA 1.818 63.285 61.300 0.278 0.000 1.340 389 I CB -0.005 38.143 38.000 0.248 0.000 1.036 389 I HN 0.669 nan 8.210 nan 0.000 0.417 390 D N 0.218 120.694 120.400 0.127 0.000 2.349 390 D HA 0.026 4.666 4.640 -0.000 0.000 0.224 390 D C 0.217 176.543 176.300 0.043 0.000 1.029 390 D CA 0.550 54.591 54.000 0.068 0.000 0.879 390 D CB 0.164 40.988 40.800 0.040 0.000 0.906 390 D HN 0.177 nan 8.370 nan 0.000 0.528 391 K N 0.086 120.539 120.400 0.089 0.000 2.378 391 K HA 0.204 4.524 4.320 -0.000 0.000 0.252 391 K C 0.800 177.479 176.600 0.131 0.000 0.931 391 K CA -0.567 55.754 56.287 0.057 0.000 0.794 391 K CB 2.681 35.187 32.500 0.011 0.000 1.181 391 K HN -0.226 nan 8.250 nan 0.000 0.425 392 K N 0.937 121.362 120.400 0.041 0.000 2.002 392 K HA -0.089 4.231 4.320 -0.000 0.000 0.209 392 K C -0.267 176.387 176.600 0.090 0.000 1.048 392 K CA 1.456 57.782 56.287 0.065 0.000 0.930 392 K CB 0.132 32.633 32.500 0.003 0.000 0.714 392 K HN 0.486 nan 8.250 nan 0.000 0.438 393 D N 0.700 121.092 120.400 -0.012 0.000 2.350 393 D HA 0.063 4.703 4.640 -0.000 0.000 0.249 393 D C -0.304 175.833 176.300 -0.272 0.000 1.119 393 D CA -0.152 53.783 54.000 -0.107 0.000 0.886 393 D CB 1.053 41.796 40.800 -0.094 0.000 1.195 393 D HN 0.341 nan 8.370 nan 0.000 0.437 394 c N 0.553 118.849 118.600 -0.507 0.000 2.562 394 c HA 0.889 5.459 4.570 -0.000 0.000 0.332 394 c C 0.133 173.824 174.090 -0.666 0.000 1.201 394 c CA -0.801 54.986 56.329 -0.904 0.000 1.803 394 c CB 1.294 42.594 42.510 -2.015 0.000 2.328 394 c HN 0.608 nan 8.230 nan 0.000 0.500 395 T N 0.700 114.899 114.554 -0.591 0.000 2.807 395 T HA 0.623 4.973 4.350 -0.000 0.000 0.279 395 T C -0.888 173.524 174.700 -0.480 0.000 0.993 395 T CA -0.253 61.601 62.100 -0.411 0.000 0.970 395 T CB 0.369 69.102 68.868 -0.225 0.000 0.950 395 T HN 0.547 nan 8.240 nan 0.000 0.441 396 F N 4.180 123.963 119.950 -0.278 0.000 2.484 396 F HA 0.343 4.870 4.527 -0.000 0.000 0.360 396 F C 1.511 177.072 175.800 -0.397 0.000 1.101 396 F CA -0.910 56.924 58.000 -0.276 0.000 1.251 396 F CB 0.749 39.612 39.000 -0.228 0.000 1.132 396 F HN 0.655 nan 8.300 nan 0.000 0.570 397 I N -0.910 119.518 120.570 -0.237 0.000 4.082 397 I HA 0.285 4.455 4.170 -0.000 0.000 0.337 397 I C 0.019 176.057 176.117 -0.132 0.000 1.352 397 I CA -0.084 60.896 61.300 -0.533 0.000 1.097 397 I CB -0.035 37.581 38.000 -0.640 0.000 1.048 397 I HN 0.470 nan 8.210 nan 0.000 0.393 398 T N -0.292 114.205 114.554 -0.094 0.000 2.903 398 T HA 0.747 5.096 4.350 -0.000 0.000 0.299 398 T C -0.714 173.614 174.700 -0.619 0.000 1.093 398 T CA -0.658 61.361 62.100 -0.134 0.000 1.002 398 T CB 2.818 71.695 68.868 0.016 0.000 1.127 398 T HN 0.470 nan 8.240 nan 0.000 0.488 399 K N -0.121 119.720 120.400 -0.931 0.000 2.617 399 K HA 0.807 5.127 4.320 -0.000 0.000 0.293 399 K C -0.351 175.596 176.600 -1.088 0.000 1.034 399 K CA -0.843 54.592 56.287 -1.419 0.000 0.884 399 K CB 1.221 33.322 32.500 -0.664 0.000 1.541 399 K HN 1.677 nan 8.250 nan 0.000 0.409 400 G N -0.173 108.098 108.800 -0.881 0.000 2.354 400 G HA2 0.061 4.021 3.960 -0.000 0.000 0.582 400 G HA3 0.061 4.021 3.960 -0.000 0.000 0.582 400 G C -0.832 173.555 174.900 -0.856 0.000 1.316 400 G CA -0.386 44.335 45.100 -0.632 0.000 0.995 400 G HN 1.075 nan 8.290 nan 0.000 0.573 401 T N -0.512 113.652 114.554 -0.651 0.000 3.598 401 T HA 0.606 4.956 4.350 -0.000 0.000 0.343 401 T C 0.144 174.660 174.700 -0.307 0.000 1.697 401 T CA 0.553 62.101 62.100 -0.921 0.000 1.247 401 T CB -0.870 67.684 68.868 -0.523 0.000 1.210 401 T HN 1.683 nan 8.240 nan 0.000 0.820 402 W N -0.228 120.940 121.300 -0.220 0.000 2.929 402 W HA 0.562 5.222 4.660 -0.000 0.000 0.363 402 W C -1.665 174.848 176.519 -0.010 0.000 1.168 402 W CA -0.914 56.428 57.345 -0.004 0.000 1.163 402 W CB 0.489 29.934 29.460 -0.025 0.000 1.455 402 W HN 0.230 nan 8.180 nan 0.000 0.568 403 E N 0.803 121.218 120.200 0.357 0.000 2.343 403 E HA 0.470 4.819 4.350 -0.000 0.000 0.270 403 E C -1.127 175.620 176.600 0.246 0.000 0.895 403 E CA -1.179 55.242 56.400 0.035 0.000 0.767 403 E CB 3.406 33.155 29.700 0.082 0.000 1.248 403 E HN 0.169 nan 8.360 nan 0.000 0.440 404 V N 3.791 123.721 119.914 0.027 0.000 2.488 404 V HA 0.016 4.136 4.120 -0.000 0.000 0.277 404 V C 1.169 177.368 176.094 0.173 0.000 1.046 404 V CA -0.045 62.365 62.300 0.184 0.000 0.986 404 V CB 0.663 32.499 31.823 0.023 0.000 0.989 404 V HN 0.687 nan 8.190 nan 0.000 0.475 405 I N 3.200 123.895 120.570 0.208 0.000 2.339 405 I HA 0.243 4.413 4.170 -0.000 0.000 0.245 405 I C 1.130 177.365 176.117 0.197 0.000 1.096 405 I CA 1.191 62.602 61.300 0.186 0.000 1.408 405 I CB -0.758 37.292 38.000 0.084 0.000 1.092 405 I HN 0.740 nan 8.210 nan 0.000 0.423 406 G N 0.590 109.506 108.800 0.194 0.000 2.703 406 G HA2 0.563 4.523 3.960 -0.000 0.000 0.294 406 G HA3 0.563 4.523 3.960 -0.000 0.000 0.294 406 G C -1.261 173.737 174.900 0.164 0.000 1.451 406 G CA -0.522 44.688 45.100 0.183 0.000 0.869 406 G HN -0.035 nan 8.290 nan 0.000 0.516 407 I N 1.649 122.255 120.570 0.060 0.000 2.325 407 I HA 0.235 4.405 4.170 -0.000 0.000 0.291 407 I C 0.742 176.795 176.117 -0.105 0.000 1.019 407 I CA -0.539 60.702 61.300 -0.099 0.000 1.302 407 I CB 1.725 39.440 38.000 -0.475 0.000 1.401 407 I HN 0.477 nan 8.210 nan 0.000 0.485 408 E N 4.951 125.160 120.200 0.015 0.000 2.251 408 E HA 0.313 4.663 4.350 -0.000 0.000 0.194 408 E C 0.163 176.733 176.600 -0.051 0.000 0.964 408 E CA 0.226 56.674 56.400 0.080 0.000 0.868 408 E CB 0.691 30.525 29.700 0.223 0.000 0.828 408 E HN 0.682 nan 8.360 nan 0.000 0.481 409 A N 0.484 123.189 122.820 -0.192 0.000 2.594 409 A HA 0.579 4.899 4.320 -0.000 0.000 0.296 409 A C -1.768 175.745 177.584 -0.119 0.000 1.056 409 A CA -0.604 51.249 52.037 -0.307 0.000 0.693 409 A CB 1.138 19.511 19.000 -1.046 0.000 1.278 409 A HN 0.074 nan 8.150 nan 0.000 0.408 410 L N 2.880 124.078 121.223 -0.043 0.000 2.404 410 L HA 0.648 4.987 4.340 -0.000 0.000 0.272 410 L C 0.352 177.261 176.870 0.064 0.000 0.980 410 L CA -0.123 54.730 54.840 0.023 0.000 0.836 410 L CB 1.899 44.009 42.059 0.084 0.000 1.238 410 L HN 1.168 nan 8.230 nan 0.000 0.408 411 T N -0.594 114.016 114.554 0.094 0.000 2.864 411 T HA 0.280 4.630 4.350 -0.000 0.000 0.276 411 T C 1.188 175.942 174.700 0.090 0.000 1.006 411 T CA 0.151 62.315 62.100 0.107 0.000 0.970 411 T CB 1.287 70.251 68.868 0.160 0.000 1.420 411 T HN 0.560 nan 8.240 nan 0.000 0.601 412 S N -0.803 114.944 115.700 0.079 0.000 2.478 412 S HA 0.059 4.529 4.470 -0.000 0.000 0.222 412 S C 0.728 175.322 174.600 -0.010 0.000 1.008 412 S CA 0.565 58.797 58.200 0.055 0.000 0.928 412 S CB -0.481 62.752 63.200 0.056 0.000 0.781 412 S HN 0.698 nan 8.310 nan 0.000 0.518 413 D N -0.676 119.701 120.400 -0.039 0.000 2.422 413 D HA 0.292 4.931 4.640 -0.000 0.000 0.218 413 D C -0.635 175.361 176.300 -0.507 0.000 1.047 413 D CA 0.476 54.327 54.000 -0.248 0.000 0.885 413 D CB 0.297 40.968 40.800 -0.214 0.000 1.035 413 D HN 0.442 nan 8.370 nan 0.000 0.502 414 Y N 0.009 120.267 120.300 -0.071 0.000 2.504 414 Y HA 0.396 4.946 4.550 -0.000 0.000 0.344 414 Y C -1.041 174.710 175.900 -0.250 0.000 1.023 414 Y CA -1.369 56.602 58.100 -0.216 0.000 1.020 414 Y CB 2.170 40.404 38.460 -0.377 0.000 1.282 414 Y HN -0.243 nan 8.280 nan 0.000 0.454 415 L N 4.225 125.356 121.223 -0.152 0.000 2.305 415 L HA 0.520 4.860 4.340 -0.000 0.000 0.284 415 L C -1.843 174.920 176.870 -0.178 0.000 1.013 415 L CA -1.126 53.610 54.840 -0.174 0.000 0.819 415 L CB -0.022 41.862 42.059 -0.292 0.000 1.227 415 L HN 0.598 nan 8.230 nan 0.000 0.417 416 Y N 6.190 126.437 120.300 -0.089 0.000 2.342 416 Y HA 0.567 5.117 4.550 -0.000 0.000 0.334 416 Y C -0.258 175.668 175.900 0.044 0.000 1.067 416 Y CA -0.284 57.767 58.100 -0.083 0.000 1.128 416 Y CB 1.424 39.729 38.460 -0.258 0.000 1.200 416 Y HN 0.620 nan 8.280 nan 0.000 0.464 417 Y N 0.865 121.231 120.300 0.109 0.000 2.597 417 Y HA 0.741 5.291 4.550 -0.000 0.000 0.340 417 Y C -1.909 174.077 175.900 0.144 0.000 1.097 417 Y CA -1.767 56.388 58.100 0.093 0.000 1.037 417 Y CB 1.073 39.568 38.460 0.058 0.000 1.305 417 Y HN 0.282 nan 8.280 nan 0.000 0.463 418 I N 3.457 124.174 120.570 0.246 0.000 2.377 418 I HA 0.579 4.748 4.170 -0.000 0.000 0.293 418 I C -0.044 176.235 176.117 0.269 0.000 0.987 418 I CA -0.227 61.165 61.300 0.152 0.000 1.185 418 I CB 1.344 39.397 38.000 0.088 0.000 1.341 418 I HN 0.892 nan 8.210 nan 0.000 0.455 419 S N 4.221 120.037 115.700 0.194 0.000 2.685 419 S HA 0.492 4.962 4.470 -0.000 0.000 0.282 419 S C -0.250 174.380 174.600 0.049 0.000 1.159 419 S CA -0.770 57.537 58.200 0.177 0.000 0.833 419 S CB 1.967 65.278 63.200 0.184 0.000 1.151 419 S HN 0.572 nan 8.310 nan 0.000 0.485 420 N N -0.445 118.286 118.700 0.052 0.000 2.321 420 N HA 0.147 4.887 4.740 -0.000 0.000 0.242 420 N C 0.590 176.058 175.510 -0.070 0.000 1.141 420 N CA -0.225 52.818 53.050 -0.011 0.000 0.864 420 N CB 0.185 38.664 38.487 -0.014 0.000 1.100 420 N HN 0.820 nan 8.380 nan 0.000 0.510 421 E N 0.272 120.262 120.200 -0.350 0.000 2.058 421 E HA -0.212 4.138 4.350 -0.000 0.000 0.194 421 E C -0.335 176.103 176.600 -0.270 0.000 0.997 421 E CA 0.353 56.293 56.400 -0.766 0.000 0.801 421 E CB -0.146 28.540 29.700 -1.690 0.000 0.746 421 E HN 0.529 nan 8.360 nan 0.000 0.450 422 Y N 1.693 121.883 120.300 -0.183 0.000 2.865 422 Y HA -0.198 4.352 4.550 -0.000 0.000 0.338 422 Y C 0.319 176.183 175.900 -0.060 0.000 1.269 422 Y CA 0.818 58.874 58.100 -0.074 0.000 1.585 422 Y CB 0.180 38.627 38.460 -0.022 0.000 1.224 422 Y HN 0.100 nan 8.280 nan 0.000 0.554 423 K N 3.561 123.691 120.400 -0.450 0.000 3.130 423 K HA -0.257 4.063 4.320 -0.000 0.000 0.282 423 K C 0.776 177.312 176.600 -0.107 0.000 1.145 423 K CA 0.723 56.799 56.287 -0.351 0.000 0.831 423 K CB -1.810 30.404 32.500 -0.477 0.000 1.226 423 K HN 1.222 nan 8.250 nan 0.000 0.478 424 G N 0.680 109.437 108.800 -0.072 0.000 2.321 424 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.287 424 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.287 424 G C 0.015 174.909 174.900 -0.011 0.000 1.018 424 G CA 0.910 46.018 45.100 0.013 0.000 0.855 424 G HN 0.344 nan 8.290 nan 0.000 0.507 425 M N -0.080 119.440 119.600 -0.133 0.000 2.069 425 M HA 0.269 4.749 4.480 -0.000 0.000 0.349 425 M C -1.281 174.784 176.300 -0.392 0.000 1.194 425 M CA -2.070 52.991 55.300 -0.398 0.000 1.081 425 M CB 1.793 34.230 32.600 -0.273 0.000 1.500 425 M HN -0.139 nan 8.290 nan 0.000 0.438 426 P HA -0.056 nan 4.420 nan 0.000 0.222 426 P C 1.133 178.291 177.300 -0.237 0.000 1.147 426 P CA 0.906 63.827 63.100 -0.298 0.000 0.790 426 P CB 0.232 31.736 31.700 -0.327 0.000 0.780 427 G N -1.074 107.530 108.800 -0.327 0.000 3.141 427 G HA2 0.277 4.237 3.960 -0.000 0.000 0.218 427 G HA3 0.277 4.237 3.960 -0.000 0.000 0.218 427 G C 0.615 175.520 174.900 0.009 0.000 1.170 427 G CA 0.025 45.061 45.100 -0.107 0.000 0.769 427 G HN 0.361 nan 8.290 nan 0.000 0.546 428 G N -0.126 108.620 108.800 -0.090 0.000 2.434 428 G HA2 0.631 4.591 3.960 -0.000 0.000 0.330 428 G HA3 0.631 4.591 3.960 -0.000 0.000 0.330 428 G C -0.791 173.984 174.900 -0.208 0.000 1.155 428 G CA -0.733 44.338 45.100 -0.049 0.000 0.917 428 G HN 0.070 nan 8.290 nan 0.000 0.493 429 R N 0.662 120.989 120.500 -0.289 0.000 2.538 429 R HA 0.393 4.733 4.340 -0.000 0.000 0.292 429 R C -1.204 175.049 176.300 -0.078 0.000 1.008 429 R CA -0.785 55.124 56.100 -0.318 0.000 0.896 429 R CB 1.989 31.858 30.300 -0.719 0.000 1.187 429 R HN 0.686 nan 8.270 nan 0.000 0.440 430 N N 0.479 119.162 118.700 -0.028 0.000 2.357 430 N HA 0.464 5.204 4.740 -0.000 0.000 0.284 430 N C -1.530 173.862 175.510 -0.196 0.000 1.236 430 N CA -0.796 52.171 53.050 -0.139 0.000 0.774 430 N CB 1.951 40.252 38.487 -0.310 0.000 1.534 430 N HN 0.244 nan 8.380 nan 0.000 0.478 431 L N 1.825 122.767 121.223 -0.469 0.000 2.295 431 L HA 0.556 4.896 4.340 -0.000 0.000 0.285 431 L C -1.672 174.792 176.870 -0.677 0.000 1.035 431 L CA -0.166 54.423 54.840 -0.418 0.000 0.806 431 L CB 0.041 41.845 42.059 -0.425 0.000 1.214 431 L HN 0.540 nan 8.230 nan 0.000 0.426 432 Y N 3.236 123.172 120.300 -0.606 0.000 2.602 432 Y HA 0.633 5.183 4.550 -0.000 0.000 0.342 432 Y C -0.518 175.056 175.900 -0.543 0.000 1.029 432 Y CA -0.895 56.815 58.100 -0.649 0.000 1.080 432 Y CB 1.860 39.727 38.460 -0.987 0.000 1.284 432 Y HN 0.549 nan 8.280 nan 0.000 0.485 433 K N 1.533 121.800 120.400 -0.223 0.000 2.427 433 K HA 0.703 5.023 4.320 -0.000 0.000 0.252 433 K C -1.846 174.734 176.600 -0.033 0.000 0.931 433 K CA -0.571 55.526 56.287 -0.317 0.000 0.793 433 K CB 1.898 33.943 32.500 -0.759 0.000 1.211 433 K HN 0.626 nan 8.250 nan 0.000 0.426 434 I N 2.781 123.386 120.570 0.058 0.000 2.321 434 I HA 0.127 4.297 4.170 -0.000 0.000 0.291 434 I C 0.062 176.249 176.117 0.118 0.000 0.998 434 I CA -0.839 60.545 61.300 0.141 0.000 1.227 434 I CB 1.716 39.795 38.000 0.132 0.000 1.368 434 I HN 0.698 nan 8.210 nan 0.000 0.466 435 Q N 5.015 124.878 119.800 0.105 0.000 2.263 435 Q HA 0.051 4.391 4.340 -0.000 0.000 0.270 435 Q C 0.440 176.349 176.000 -0.153 0.000 1.104 435 Q CA -0.459 55.260 55.803 -0.140 0.000 0.909 435 Q CB 0.860 29.567 28.738 -0.052 0.000 1.214 435 Q HN 0.609 nan 8.270 nan 0.000 0.400 436 L N 3.249 124.317 121.223 -0.257 0.000 2.191 436 L HA -0.188 4.152 4.340 -0.000 0.000 0.212 436 L C 2.398 179.208 176.870 -0.100 0.000 1.103 436 L CA 1.853 56.610 54.840 -0.137 0.000 0.769 436 L CB -0.914 41.059 42.059 -0.143 0.000 0.908 436 L HN 0.742 nan 8.230 nan 0.000 0.438 437 S N -2.120 113.492 115.700 -0.146 0.000 2.428 437 S HA -0.076 4.394 4.470 -0.000 0.000 0.230 437 S C 0.808 175.358 174.600 -0.084 0.000 1.014 437 S CA 0.752 58.890 58.200 -0.105 0.000 0.957 437 S CB -0.052 63.078 63.200 -0.116 0.000 0.784 437 S HN 0.419 nan 8.310 nan 0.000 0.499 438 D N 0.321 120.669 120.400 -0.086 0.000 2.328 438 D HA 0.188 4.828 4.640 -0.000 0.000 0.243 438 D C 0.249 176.494 176.300 -0.092 0.000 1.324 438 D CA -0.820 53.110 54.000 -0.117 0.000 0.966 438 D CB 0.320 41.048 40.800 -0.120 0.000 1.324 438 D HN 0.296 nan 8.370 nan 0.000 0.549 439 Y N 1.319 121.585 120.300 -0.056 0.000 2.569 439 Y HA -0.097 4.453 4.550 -0.000 0.000 0.293 439 Y C 1.849 177.748 175.900 -0.002 0.000 1.144 439 Y CA 1.385 59.466 58.100 -0.032 0.000 1.321 439 Y CB -0.744 37.693 38.460 -0.038 0.000 0.982 439 Y HN 0.213 nan 8.280 nan 0.000 0.558 440 T N -2.905 111.500 114.554 -0.247 0.000 3.035 440 T HA 0.007 4.357 4.350 -0.000 0.000 0.268 440 T C 0.602 175.293 174.700 -0.016 0.000 1.109 440 T CA 0.178 62.205 62.100 -0.122 0.000 1.119 440 T CB -0.177 68.566 68.868 -0.207 0.000 0.900 440 T HN 0.063 nan 8.240 nan 0.000 0.503 441 K N 2.579 122.974 120.400 -0.008 0.000 2.231 441 K HA 0.504 4.824 4.320 -0.000 0.000 0.275 441 K C -0.995 175.655 176.600 0.083 0.000 1.105 441 K CA -0.277 56.027 56.287 0.028 0.000 0.931 441 K CB 1.071 33.578 32.500 0.012 0.000 1.296 441 K HN 0.183 nan 8.250 nan 0.000 0.446 442 V N 2.340 122.312 119.914 0.098 0.000 2.540 442 V HA 0.374 4.494 4.120 -0.000 0.000 0.302 442 V C 0.010 176.162 176.094 0.097 0.000 1.035 442 V CA -0.750 61.631 62.300 0.135 0.000 0.873 442 V CB 2.088 34.029 31.823 0.197 0.000 0.992 442 V HN 0.578 nan 8.190 nan 0.000 0.428 443 T N 3.036 117.618 114.554 0.048 0.000 2.807 443 T HA 0.286 4.636 4.350 -0.000 0.000 0.279 443 T C -0.498 174.113 174.700 -0.147 0.000 0.993 443 T CA -0.278 61.799 62.100 -0.039 0.000 0.970 443 T CB 1.388 70.205 68.868 -0.086 0.000 0.950 443 T HN 0.786 nan 8.240 nan 0.000 0.441 444 C N 4.919 124.058 119.300 -0.269 0.000 2.394 444 C HA 0.450 4.909 4.460 -0.000 0.000 0.362 444 C C 1.600 176.260 174.990 -0.550 0.000 1.268 444 C CA -0.572 58.017 59.018 -0.716 0.000 1.828 444 C CB -1.732 25.483 27.740 -0.875 0.000 2.442 444 C HN 0.984 nan 8.230 nan 0.000 0.549 445 L N 4.601 125.470 121.223 -0.590 0.000 2.529 445 L HA 0.098 4.437 4.340 -0.000 0.000 0.223 445 L C 2.095 178.647 176.870 -0.530 0.000 1.113 445 L CA 0.842 55.416 54.840 -0.443 0.000 0.861 445 L CB -0.186 41.646 42.059 -0.378 0.000 1.012 445 L HN 0.879 nan 8.230 nan 0.000 0.461 446 S N -3.226 112.043 115.700 -0.717 0.000 2.631 446 S HA -0.016 4.454 4.470 -0.000 0.000 0.246 446 S C 1.818 176.016 174.600 -0.671 0.000 1.068 446 S CA -0.047 57.623 58.200 -0.883 0.000 0.995 446 S CB -0.324 61.953 63.200 -1.539 0.000 0.944 446 S HN 0.295 nan 8.310 nan 0.000 0.529 447 C N 2.757 121.635 119.300 -0.702 0.000 2.391 447 C HA -0.029 4.431 4.460 -0.000 0.000 0.276 447 C C 2.339 177.021 174.990 -0.515 0.000 1.217 447 C CA 1.183 59.708 59.018 -0.821 0.000 1.766 447 C CB -0.901 26.113 27.740 -1.209 0.000 2.046 447 C HN 0.613 nan 8.230 nan 0.000 0.475 448 E N 0.161 120.153 120.200 -0.347 0.000 2.481 448 E HA 0.174 4.524 4.350 -0.000 0.000 0.198 448 E C 1.903 178.446 176.600 -0.095 0.000 1.027 448 E CA -0.061 56.241 56.400 -0.163 0.000 0.900 448 E CB -0.218 29.408 29.700 -0.122 0.000 0.993 448 E HN 0.649 nan 8.360 nan 0.000 0.482 449 L N 0.584 121.739 121.223 -0.112 0.000 1.989 449 L HA -0.118 4.222 4.340 -0.000 0.000 0.211 449 L C 1.133 178.014 176.870 0.019 0.000 1.071 449 L CA 1.106 55.925 54.840 -0.034 0.000 0.749 449 L CB -0.055 41.995 42.059 -0.015 0.000 0.890 449 L HN 0.052 nan 8.230 nan 0.000 0.431 450 N N -1.592 117.139 118.700 0.051 0.000 2.732 450 N HA 0.113 4.853 4.740 -0.000 0.000 0.235 450 N C -2.084 173.458 175.510 0.054 0.000 1.466 450 N CA -0.644 52.435 53.050 0.048 0.000 0.751 450 N CB 1.169 39.687 38.487 0.051 0.000 1.317 450 N HN -0.082 nan 8.380 nan 0.000 0.525 451 P HA -0.119 nan 4.420 nan 0.000 0.216 451 P C 0.720 178.069 177.300 0.080 0.000 1.150 451 P CA 1.264 64.419 63.100 0.092 0.000 0.837 451 P CB 0.751 32.516 31.700 0.108 0.000 0.786 452 E N -0.196 120.033 120.200 0.048 0.000 2.112 452 E HA -0.130 4.220 4.350 -0.000 0.000 0.190 452 E C 2.298 178.905 176.600 0.012 0.000 0.979 452 E CA 0.756 57.175 56.400 0.032 0.000 0.814 452 E CB -0.220 29.491 29.700 0.019 0.000 0.762 452 E HN 0.197 nan 8.360 nan 0.000 0.460 453 R N -0.245 120.252 120.500 -0.005 0.000 2.254 453 R HA 0.126 4.466 4.340 -0.000 0.000 0.195 453 R C -0.314 175.947 176.300 -0.066 0.000 0.957 453 R CA 0.437 56.512 56.100 -0.041 0.000 1.024 453 R CB 0.418 30.684 30.300 -0.057 0.000 0.952 453 R HN -0.013 nan 8.270 nan 0.000 0.484 454 c N 1.080 119.653 118.600 -0.044 0.000 2.383 454 c HA 0.427 4.996 4.570 -0.000 0.000 0.330 454 c C -0.323 173.743 174.090 -0.040 0.000 1.168 454 c CA -0.626 55.621 56.329 -0.136 0.000 1.374 454 c CB 1.442 43.846 42.510 -0.177 0.000 2.014 454 c HN 0.593 nan 8.230 nan 0.000 0.439 455 Q N 0.526 120.292 119.800 -0.058 0.000 2.073 455 Q HA 0.186 4.526 4.340 -0.000 0.000 0.215 455 Q C -1.011 175.034 176.000 0.075 0.000 0.776 455 Q CA 0.059 55.907 55.803 0.076 0.000 1.008 455 Q CB 1.372 30.183 28.738 0.122 0.000 1.196 455 Q HN 0.784 nan 8.270 nan 0.000 0.458 456 Y N 0.519 120.690 120.300 -0.215 0.000 2.535 456 Y HA 0.360 4.910 4.550 -0.000 0.000 0.341 456 Y C -1.518 174.215 175.900 -0.279 0.000 1.041 456 Y CA -0.962 57.042 58.100 -0.160 0.000 1.307 456 Y CB 0.593 38.977 38.460 -0.127 0.000 1.095 456 Y HN -0.058 nan 8.280 nan 0.000 0.534 457 Y N 1.839 122.075 120.300 -0.107 0.000 2.496 457 Y HA 0.683 5.233 4.550 -0.000 0.000 0.331 457 Y C 0.394 176.237 175.900 -0.095 0.000 1.140 457 Y CA -0.514 57.530 58.100 -0.093 0.000 1.166 457 Y CB 2.098 40.467 38.460 -0.153 0.000 1.249 457 Y HN 0.474 nan 8.280 nan 0.000 0.479 458 S N 0.362 116.142 115.700 0.132 0.000 2.661 458 S HA 0.846 5.316 4.470 -0.000 0.000 0.285 458 S C -1.633 173.014 174.600 0.077 0.000 1.138 458 S CA -0.800 57.455 58.200 0.091 0.000 0.855 458 S CB 1.776 65.043 63.200 0.111 0.000 1.136 458 S HN 0.642 nan 8.310 nan 0.000 0.484 459 V N 0.234 120.185 119.914 0.061 0.000 3.007 459 V HA 0.868 4.988 4.120 -0.000 0.000 0.311 459 V C -1.208 174.922 176.094 0.059 0.000 1.120 459 V CA -0.285 62.009 62.300 -0.010 0.000 0.980 459 V CB 2.276 33.988 31.823 -0.186 0.000 1.033 459 V HN 1.191 nan 8.190 nan 0.000 0.429 460 S N 4.725 120.448 115.700 0.038 0.000 2.756 460 S HA 0.680 5.150 4.470 -0.000 0.000 0.303 460 S C -1.187 173.465 174.600 0.086 0.000 1.135 460 S CA -0.382 57.931 58.200 0.189 0.000 1.066 460 S CB 0.434 63.830 63.200 0.325 0.000 1.008 460 S HN 0.510 nan 8.310 nan 0.000 0.482 461 F N 3.195 123.157 119.950 0.020 0.000 2.379 461 F HA 0.423 4.950 4.527 -0.000 0.000 0.332 461 F C 1.386 176.783 175.800 -0.672 0.000 1.096 461 F CA -0.266 57.592 58.000 -0.236 0.000 1.105 461 F CB 1.419 40.285 39.000 -0.223 0.000 1.189 461 F HN 0.636 nan 8.300 nan 0.000 0.515 462 S N 1.904 117.012 115.700 -0.988 0.000 2.589 462 S HA 0.118 4.588 4.470 -0.000 0.000 0.265 462 S C 1.298 175.667 174.600 -0.385 0.000 1.342 462 S CA -0.675 56.731 58.200 -1.323 0.000 1.005 462 S CB 0.811 63.233 63.200 -1.297 0.000 0.909 462 S HN 0.792 nan 8.310 nan 0.000 0.555 463 K N 0.487 120.785 120.400 -0.171 0.000 2.097 463 K HA -0.222 4.098 4.320 -0.000 0.000 0.214 463 K C 1.430 178.012 176.600 -0.030 0.000 1.052 463 K CA 2.298 58.569 56.287 -0.026 0.000 0.932 463 K CB -0.184 32.326 32.500 0.017 0.000 0.716 463 K HN 0.787 nan 8.250 nan 0.000 0.455 464 E N -1.928 118.237 120.200 -0.058 0.000 2.569 464 E HA 0.262 4.611 4.350 -0.000 0.000 0.205 464 E C -0.568 176.005 176.600 -0.045 0.000 1.006 464 E CA 0.521 56.906 56.400 -0.025 0.000 0.985 464 E CB 0.845 30.549 29.700 0.007 0.000 1.060 464 E HN 0.354 nan 8.360 nan 0.000 0.460 465 A N 0.326 123.101 122.820 -0.074 0.000 2.945 465 A HA -0.324 3.996 4.320 -0.000 0.000 0.251 465 A C 1.415 178.986 177.584 -0.022 0.000 1.355 465 A CA 1.417 53.433 52.037 -0.036 0.000 0.905 465 A CB -2.097 16.761 19.000 -0.238 0.000 1.104 465 A HN 0.324 nan 8.150 nan 0.000 0.733 466 K N -1.788 118.545 120.400 -0.110 0.000 2.103 466 K HA 0.070 4.390 4.320 -0.000 0.000 0.204 466 K C 0.265 176.517 176.600 -0.580 0.000 1.052 466 K CA 1.683 57.783 56.287 -0.312 0.000 0.945 466 K CB -0.039 32.284 32.500 -0.296 0.000 0.722 466 K HN 0.708 nan 8.250 nan 0.000 0.443 467 Y N -1.408 118.822 120.300 -0.116 0.000 2.634 467 Y HA 0.342 4.892 4.550 -0.000 0.000 0.340 467 Y C -0.942 174.837 175.900 -0.202 0.000 1.058 467 Y CA -1.422 56.584 58.100 -0.156 0.000 1.081 467 Y CB 1.536 39.942 38.460 -0.090 0.000 1.295 467 Y HN -0.052 nan 8.280 nan 0.000 0.487 468 Y N -1.216 119.044 120.300 -0.066 0.000 2.513 468 Y HA 0.497 5.046 4.550 -0.000 0.000 0.340 468 Y C -1.219 174.680 175.900 -0.003 0.000 1.055 468 Y CA -1.445 56.455 58.100 -0.333 0.000 1.020 468 Y CB 1.456 39.248 38.460 -1.113 0.000 1.301 468 Y HN 0.604 nan 8.280 nan 0.000 0.453 469 Q N 3.433 123.364 119.800 0.219 0.000 2.278 469 Q HA 0.475 4.815 4.340 -0.000 0.000 0.257 469 Q C -1.852 174.249 176.000 0.168 0.000 0.928 469 Q CA -0.856 55.055 55.803 0.180 0.000 0.932 469 Q CB 1.221 30.033 28.738 0.124 0.000 1.221 469 Q HN 0.824 nan 8.270 nan 0.000 0.434 470 L N 4.035 125.385 121.223 0.212 0.000 2.325 470 L HA 0.470 4.810 4.340 -0.000 0.000 0.279 470 L C -0.287 176.653 176.870 0.117 0.000 1.054 470 L CA 0.135 55.073 54.840 0.163 0.000 0.804 470 L CB 1.457 43.608 42.059 0.154 0.000 1.200 470 L HN 0.669 nan 8.230 nan 0.000 0.436 471 R N 3.011 123.549 120.500 0.065 0.000 2.435 471 R HA 0.417 4.757 4.340 -0.000 0.000 0.308 471 R C -1.305 174.842 176.300 -0.255 0.000 0.975 471 R CA -0.442 55.523 56.100 -0.226 0.000 0.867 471 R CB 1.035 31.234 30.300 -0.169 0.000 1.171 471 R HN 0.743 nan 8.270 nan 0.000 0.470 472 c N 3.856 122.181 118.600 -0.459 0.000 2.255 472 c HA 0.426 4.995 4.570 -0.000 0.000 0.326 472 c C 0.824 174.689 174.090 -0.376 0.000 1.258 472 c CA -0.350 55.622 56.329 -0.595 0.000 1.676 472 c CB 0.660 42.769 42.510 -0.668 0.000 2.314 472 c HN 0.959 nan 8.230 nan 0.000 0.509 473 S N 3.299 118.865 115.700 -0.222 0.000 2.556 473 S HA 0.497 4.966 4.470 -0.000 0.000 0.216 473 S C 0.728 175.277 174.600 -0.086 0.000 0.970 473 S CA 0.531 58.656 58.200 -0.126 0.000 0.912 473 S CB 0.157 63.294 63.200 -0.105 0.000 0.790 473 S HN 1.368 nan 8.310 nan 0.000 0.504 474 G N 1.404 110.143 108.800 -0.103 0.000 2.320 474 G HA2 0.267 4.227 3.960 -0.000 0.000 0.297 474 G HA3 0.267 4.227 3.960 -0.000 0.000 0.297 474 G C -3.014 171.861 174.900 -0.043 0.000 1.344 474 G CA -0.651 44.428 45.100 -0.036 0.000 0.851 474 G HN -0.176 nan 8.290 nan 0.000 0.567 475 P HA 0.151 nan 4.420 nan 0.000 0.231 475 P C 1.338 178.642 177.300 0.008 0.000 1.168 475 P CA 1.270 64.393 63.100 0.039 0.000 0.779 475 P CB 0.375 32.100 31.700 0.042 0.000 0.844 476 G N 0.542 109.286 108.800 -0.093 0.000 2.516 476 G HA2 0.352 4.312 3.960 -0.000 0.000 0.276 476 G HA3 0.352 4.312 3.960 -0.000 0.000 0.276 476 G C -0.188 174.473 174.900 -0.399 0.000 1.390 476 G CA -0.682 44.291 45.100 -0.211 0.000 1.050 476 G HN 0.045 nan 8.290 nan 0.000 0.519 477 L N 1.069 121.998 121.223 -0.490 0.000 2.461 477 L HA 0.172 4.511 4.340 -0.000 0.000 0.272 477 L C -1.865 174.858 176.870 -0.244 0.000 1.197 477 L CA -1.341 53.185 54.840 -0.523 0.000 0.836 477 L CB 0.629 42.463 42.059 -0.376 0.000 1.105 477 L HN 0.235 nan 8.230 nan 0.000 0.477 478 P HA 0.008 nan 4.420 nan 0.000 0.264 478 P C -0.908 176.365 177.300 -0.044 0.000 1.183 478 P CA 0.044 63.096 63.100 -0.080 0.000 0.763 478 P CB 0.514 32.265 31.700 0.084 0.000 0.807 479 L N 5.459 126.581 121.223 -0.167 0.000 2.406 479 L HA 0.450 4.790 4.340 -0.000 0.000 0.272 479 L C -1.687 175.092 176.870 -0.152 0.000 0.980 479 L CA -0.728 54.073 54.840 -0.065 0.000 0.831 479 L CB 0.789 42.808 42.059 -0.067 0.000 1.253 479 L HN 0.262 nan 8.230 nan 0.000 0.406 480 Y N 3.172 123.448 120.300 -0.041 0.000 2.331 480 Y HA 0.689 5.239 4.550 -0.000 0.000 0.338 480 Y C 0.649 176.467 175.900 -0.137 0.000 0.976 480 Y CA -0.534 57.526 58.100 -0.066 0.000 1.137 480 Y CB 1.940 40.344 38.460 -0.094 0.000 1.172 480 Y HN 0.683 nan 8.280 nan 0.000 0.478 481 T N 1.365 115.945 114.554 0.043 0.000 2.916 481 T HA 0.677 5.027 4.350 -0.000 0.000 0.292 481 T C -1.295 173.317 174.700 -0.147 0.000 1.064 481 T CA -0.993 61.057 62.100 -0.083 0.000 1.011 481 T CB 1.929 70.796 68.868 -0.001 0.000 1.152 481 T HN 0.543 nan 8.240 nan 0.000 0.510 482 L N 1.566 122.546 121.223 -0.404 0.000 2.365 482 L HA 0.571 4.911 4.340 -0.000 0.000 0.273 482 L C -0.901 175.602 176.870 -0.612 0.000 1.000 482 L CA -0.754 53.901 54.840 -0.308 0.000 0.819 482 L CB 1.491 43.425 42.059 -0.208 0.000 1.284 482 L HN 0.865 nan 8.230 nan 0.000 0.418 483 H N 1.538 120.388 119.070 -0.366 0.000 2.895 483 H HA 0.330 4.886 4.556 -0.000 0.000 0.373 483 H C -0.730 174.322 175.328 -0.461 0.000 1.174 483 H CA -0.772 54.962 56.048 -0.524 0.000 1.144 483 H CB 2.354 31.536 29.762 -0.967 0.000 1.793 483 H HN 0.535 nan 8.280 nan 0.000 0.551 484 S N 0.602 116.213 115.700 -0.149 0.000 2.462 484 S HA 0.200 4.670 4.470 -0.000 0.000 0.294 484 S C 0.747 175.260 174.600 -0.145 0.000 1.144 484 S CA -0.680 57.448 58.200 -0.120 0.000 1.088 484 S CB 1.806 64.986 63.200 -0.033 0.000 1.009 484 S HN 0.577 nan 8.310 nan 0.000 0.484 485 S N 2.428 118.050 115.700 -0.129 0.000 2.383 485 S HA -0.106 4.364 4.470 -0.000 0.000 0.227 485 S C 1.996 176.604 174.600 0.013 0.000 1.026 485 S CA 1.115 59.355 58.200 0.067 0.000 0.981 485 S CB -0.700 62.547 63.200 0.078 0.000 0.818 485 S HN 0.633 nan 8.310 nan 0.000 0.472 486 V N 2.947 122.825 119.914 -0.060 0.000 2.243 486 V HA -0.307 3.813 4.120 -0.000 0.000 0.258 486 V C 1.374 177.466 176.094 -0.002 0.000 1.073 486 V CA 2.170 64.454 62.300 -0.027 0.000 1.069 486 V CB -0.521 31.275 31.823 -0.045 0.000 0.681 486 V HN 0.598 nan 8.190 nan 0.000 0.457 487 N N -1.312 117.383 118.700 -0.008 0.000 2.241 487 N HA 0.095 4.834 4.740 -0.000 0.000 0.238 487 N C -0.606 174.904 175.510 0.000 0.000 1.244 487 N CA 0.293 53.341 53.050 -0.003 0.000 0.880 487 N CB 0.788 39.276 38.487 0.000 0.000 1.179 487 N HN 0.511 nan 8.380 nan 0.000 0.513 488 D N 1.525 121.937 120.400 0.020 0.000 2.699 488 D HA -0.170 4.470 4.640 -0.000 0.000 0.239 488 D C 0.125 176.443 176.300 0.031 0.000 1.136 488 D CA 1.046 55.081 54.000 0.057 0.000 0.668 488 D CB -0.906 39.933 40.800 0.065 0.000 1.060 488 D HN 0.464 nan 8.370 nan 0.000 0.429 489 K N 0.519 120.921 120.400 0.003 0.000 2.205 489 K HA 0.460 4.780 4.320 -0.000 0.000 0.279 489 K C 0.577 177.167 176.600 -0.016 0.000 1.027 489 K CA -0.314 55.972 56.287 -0.001 0.000 0.932 489 K CB 1.013 33.506 32.500 -0.012 0.000 1.032 489 K HN 0.064 nan 8.250 nan 0.000 0.466 490 G N 4.482 113.269 108.800 -0.021 0.000 2.360 490 G HA2 0.167 4.127 3.960 -0.000 0.000 0.279 490 G HA3 0.167 4.127 3.960 -0.000 0.000 0.279 490 G C 0.634 175.421 174.900 -0.189 0.000 1.189 490 G CA -0.502 44.499 45.100 -0.166 0.000 0.941 490 G HN 0.715 nan 8.290 nan 0.000 0.445 491 L N 1.926 122.993 121.223 -0.260 0.000 2.084 491 L HA 0.269 4.609 4.340 -0.000 0.000 0.202 491 L C 1.651 178.428 176.870 -0.156 0.000 1.074 491 L CA 0.964 55.710 54.840 -0.157 0.000 0.757 491 L CB -0.174 41.812 42.059 -0.121 0.000 0.918 491 L HN 0.754 nan 8.230 nan 0.000 0.444 492 R N -2.066 118.299 120.500 -0.226 0.000 2.728 492 R HA 0.407 4.747 4.340 -0.000 0.000 0.274 492 R C -1.596 174.571 176.300 -0.223 0.000 1.032 492 R CA -0.913 55.079 56.100 -0.180 0.000 0.866 492 R CB 1.319 31.544 30.300 -0.126 0.000 1.263 492 R HN -0.281 nan 8.270 nan 0.000 0.475 493 V N 3.084 122.899 119.914 -0.164 0.000 2.432 493 V HA 0.154 4.273 4.120 -0.000 0.000 0.271 493 V C 1.354 177.326 176.094 -0.203 0.000 1.046 493 V CA -0.345 61.864 62.300 -0.152 0.000 0.945 493 V CB 0.955 32.725 31.823 -0.088 0.000 0.992 493 V HN 0.648 nan 8.190 nan 0.000 0.471 494 L N 2.482 123.522 121.223 -0.305 0.000 2.168 494 L HA 0.252 4.592 4.340 -0.000 0.000 0.203 494 L C 0.819 177.487 176.870 -0.338 0.000 1.078 494 L CA 0.843 55.339 54.840 -0.574 0.000 0.780 494 L CB 0.197 41.552 42.059 -1.173 0.000 0.939 494 L HN 0.674 nan 8.230 nan 0.000 0.451 495 E N -0.060 120.065 120.200 -0.125 0.000 2.307 495 E HA 0.097 4.447 4.350 -0.000 0.000 0.280 495 E C -1.077 175.582 176.600 0.099 0.000 0.900 495 E CA -0.358 56.060 56.400 0.029 0.000 0.790 495 E CB 1.185 30.910 29.700 0.041 0.000 1.261 495 E HN 0.159 nan 8.360 nan 0.000 0.405 496 D N 3.278 123.712 120.400 0.057 0.000 2.469 496 D HA 0.101 4.741 4.640 -0.000 0.000 0.215 496 D C -0.375 175.946 176.300 0.035 0.000 1.154 496 D CA -0.223 53.803 54.000 0.042 0.000 0.832 496 D CB -0.086 40.719 40.800 0.008 0.000 1.008 496 D HN 0.461 nan 8.370 nan 0.000 0.506 497 N N 0.646 119.379 118.700 0.055 0.000 2.708 497 N HA -0.215 4.525 4.740 -0.000 0.000 0.249 497 N C 0.965 176.488 175.510 0.022 0.000 1.097 497 N CA 0.960 54.037 53.050 0.044 0.000 0.710 497 N CB -1.487 37.020 38.487 0.034 0.000 1.032 497 N HN 0.495 nan 8.380 nan 0.000 0.551 498 S N -1.214 114.499 115.700 0.021 0.000 2.419 498 S HA -0.028 4.442 4.470 -0.000 0.000 0.233 498 S C 2.065 176.682 174.600 0.029 0.000 1.016 498 S CA 0.895 59.104 58.200 0.015 0.000 0.974 498 S CB -0.042 63.167 63.200 0.014 0.000 0.786 498 S HN 0.524 nan 8.310 nan 0.000 0.492 499 A N 2.056 124.902 122.820 0.043 0.000 1.873 499 A HA 0.112 4.432 4.320 -0.000 0.000 0.215 499 A C 2.208 179.838 177.584 0.078 0.000 1.186 499 A CA 1.483 53.554 52.037 0.057 0.000 0.616 499 A CB -0.891 18.145 19.000 0.061 0.000 0.823 499 A HN 0.509 nan 8.150 nan 0.000 0.442 500 L N 0.534 121.806 121.223 0.082 0.000 1.994 500 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 500 L C 1.972 178.886 176.870 0.072 0.000 1.071 500 L CA 2.929 57.837 54.840 0.113 0.000 0.745 500 L CB -0.900 41.224 42.059 0.109 0.000 0.892 500 L HN 0.516 nan 8.230 nan 0.000 0.431 501 D N -0.695 119.717 120.400 0.019 0.000 2.133 501 D HA -0.313 4.327 4.640 -0.000 0.000 0.195 501 D C 2.194 178.501 176.300 0.012 0.000 0.997 501 D CA 1.798 55.790 54.000 -0.014 0.000 0.840 501 D CB -0.051 40.729 40.800 -0.032 0.000 0.947 501 D HN 0.317 nan 8.370 nan 0.000 0.452 502 K N 0.200 120.620 120.400 0.033 0.000 2.001 502 K HA -0.192 4.128 4.320 -0.000 0.000 0.214 502 K C 2.213 178.851 176.600 0.064 0.000 1.050 502 K CA 2.223 58.536 56.287 0.044 0.000 0.934 502 K CB -0.430 32.100 32.500 0.050 0.000 0.718 502 K HN 0.406 nan 8.250 nan 0.000 0.443 503 M N -0.739 118.924 119.600 0.106 0.000 2.557 503 M HA 0.020 4.499 4.480 -0.000 0.000 0.259 503 M C 1.107 177.471 176.300 0.107 0.000 1.086 503 M CA 1.117 56.515 55.300 0.163 0.000 1.096 503 M CB -0.030 32.737 32.600 0.278 0.000 1.424 503 M HN 0.024 nan 8.290 nan 0.000 0.488 504 L N 1.571 122.805 121.223 0.019 0.000 2.446 504 L HA 0.004 4.343 4.340 -0.000 0.000 0.219 504 L C 2.726 179.565 176.870 -0.052 0.000 1.116 504 L CA 1.402 56.187 54.840 -0.091 0.000 0.844 504 L CB -0.571 41.440 42.059 -0.079 0.000 0.970 504 L HN 0.545 nan 8.230 nan 0.000 0.457 505 Q N -0.718 119.076 119.800 -0.010 0.000 2.435 505 Q HA -0.075 4.265 4.340 -0.000 0.000 0.207 505 Q C 0.617 176.625 176.000 0.014 0.000 0.956 505 Q CA 1.045 56.847 55.803 -0.002 0.000 0.917 505 Q CB -0.438 28.303 28.738 0.005 0.000 0.997 505 Q HN 0.535 nan 8.270 nan 0.000 0.497 506 N N 0.371 119.086 118.700 0.025 0.000 2.235 506 N HA 0.101 4.841 4.740 -0.000 0.000 0.209 506 N C -0.568 174.966 175.510 0.040 0.000 1.122 506 N CA -0.157 52.918 53.050 0.042 0.000 0.845 506 N CB 0.613 39.135 38.487 0.058 0.000 1.004 506 N HN -0.035 nan 8.380 nan 0.000 0.499 507 V N 1.181 121.095 119.914 0.001 0.000 2.398 507 V HA 0.221 4.341 4.120 -0.000 0.000 0.286 507 V C 0.118 176.203 176.094 -0.015 0.000 1.026 507 V CA -0.865 61.428 62.300 -0.011 0.000 0.868 507 V CB 1.638 33.390 31.823 -0.119 0.000 0.982 507 V HN 0.181 nan 8.190 nan 0.000 0.443 508 Q N 5.021 124.823 119.800 0.004 0.000 2.325 508 Q HA 0.270 4.610 4.340 -0.000 0.000 0.256 508 Q C -0.483 175.477 176.000 -0.067 0.000 1.142 508 Q CA 0.098 55.873 55.803 -0.047 0.000 0.902 508 Q CB 0.373 29.088 28.738 -0.038 0.000 1.350 508 Q HN 0.533 nan 8.270 nan 0.000 0.449 509 M N 4.012 123.559 119.600 -0.088 0.000 2.409 509 M HA 0.455 4.935 4.480 -0.000 0.000 0.329 509 M C -2.067 174.162 176.300 -0.118 0.000 1.180 509 M CA -2.492 52.755 55.300 -0.088 0.000 1.053 509 M CB 0.719 33.279 32.600 -0.067 0.000 1.586 509 M HN 0.342 nan 8.290 nan 0.000 0.461 510 P HA 0.273 nan 4.420 nan 0.000 0.277 510 P C -0.773 176.451 177.300 -0.126 0.000 1.271 510 P CA -0.325 62.685 63.100 -0.150 0.000 0.795 510 P CB 0.559 32.154 31.700 -0.175 0.000 1.101 511 S N -1.127 114.486 115.700 -0.145 0.000 2.689 511 S HA 0.576 5.046 4.470 -0.000 0.000 0.306 511 S C -0.551 173.966 174.600 -0.137 0.000 1.104 511 S CA -0.833 57.300 58.200 -0.111 0.000 0.973 511 S CB 1.801 64.942 63.200 -0.098 0.000 1.121 511 S HN 0.491 nan 8.310 nan 0.000 0.523 512 K N 0.631 120.976 120.400 -0.091 0.000 2.292 512 K HA 0.419 4.739 4.320 -0.000 0.000 0.257 512 K C -1.150 175.403 176.600 -0.080 0.000 0.940 512 K CA -0.553 55.680 56.287 -0.090 0.000 0.811 512 K CB 1.248 33.719 32.500 -0.049 0.000 1.120 512 K HN 0.760 nan 8.250 nan 0.000 0.428 513 K N 5.037 125.378 120.400 -0.099 0.000 2.182 513 K HA 0.351 4.671 4.320 -0.000 0.000 0.262 513 K C -1.465 175.091 176.600 -0.073 0.000 0.957 513 K CA -0.733 55.506 56.287 -0.080 0.000 0.842 513 K CB 1.185 33.626 32.500 -0.098 0.000 1.099 513 K HN 0.504 nan 8.250 nan 0.000 0.438 514 L N 4.193 125.382 121.223 -0.057 0.000 2.343 514 L HA 0.482 4.821 4.340 -0.000 0.000 0.278 514 L C -1.478 175.357 176.870 -0.059 0.000 0.996 514 L CA -0.255 54.574 54.840 -0.019 0.000 0.831 514 L CB 1.416 43.544 42.059 0.114 0.000 1.232 514 L HN 0.955 nan 8.230 nan 0.000 0.413 515 D N 2.866 123.017 120.400 -0.415 0.000 2.921 515 D HA 0.589 5.228 4.640 -0.000 0.000 0.329 515 D C -1.480 174.392 176.300 -0.713 0.000 1.293 515 D CA 0.093 53.739 54.000 -0.589 0.000 0.964 515 D CB 1.829 42.275 40.800 -0.591 0.000 1.435 515 D HN 0.221 nan 8.370 nan 0.000 0.548 516 F N -0.276 119.357 119.950 -0.529 0.000 2.626 516 F HA 0.697 5.224 4.527 0.000 0.000 0.311 516 F C -0.829 175.060 175.800 0.149 0.000 1.088 516 F CA -1.162 56.646 58.000 -0.320 0.000 0.949 516 F CB 0.723 39.081 39.000 -1.071 0.000 1.322 516 F HN 0.312 nan 8.300 nan 0.000 0.461 517 I N -0.215 120.689 120.570 0.557 0.000 3.023 517 I HA 0.744 4.914 4.170 -0.000 0.000 0.312 517 I C -1.377 174.987 176.117 0.412 0.000 1.056 517 I CA -1.316 60.227 61.300 0.405 0.000 1.033 517 I CB 2.498 40.671 38.000 0.288 0.000 1.233 517 I HN 0.654 nan 8.210 nan 0.000 0.462 518 I N 3.914 124.655 120.570 0.284 0.000 2.382 518 I HA 0.342 4.512 4.170 -0.000 0.000 0.285 518 I C -1.222 175.018 176.117 0.205 0.000 1.007 518 I CA -0.563 60.876 61.300 0.232 0.000 1.142 518 I CB 1.631 39.731 38.000 0.167 0.000 1.289 518 I HN 0.311 nan 8.210 nan 0.000 0.453 519 L N 6.771 128.169 121.223 0.291 0.000 2.333 519 L HA 0.456 4.796 4.340 -0.000 0.000 0.280 519 L C 0.400 177.394 176.870 0.206 0.000 1.004 519 L CA -0.517 54.470 54.840 0.245 0.000 0.820 519 L CB 0.763 43.010 42.059 0.313 0.000 1.247 519 L HN 0.486 nan 8.230 nan 0.000 0.416 520 N N 2.700 121.468 118.700 0.113 0.000 2.710 520 N HA -0.261 4.478 4.740 -0.000 0.000 0.249 520 N C 0.370 175.913 175.510 0.055 0.000 1.059 520 N CA 1.288 54.382 53.050 0.074 0.000 0.720 520 N CB -0.786 37.742 38.487 0.069 0.000 0.983 520 N HN 0.793 nan 8.380 nan 0.000 0.544 521 E N -3.752 116.477 120.200 0.048 0.000 3.413 521 E HA -0.194 4.156 4.350 -0.000 0.000 0.300 521 E C -0.886 175.700 176.600 -0.023 0.000 0.891 521 E CA 1.502 57.911 56.400 0.015 0.000 1.050 521 E CB -1.191 28.513 29.700 0.006 0.000 1.534 521 E HN 0.482 nan 8.360 nan 0.000 0.436 522 T N 0.584 115.123 114.554 -0.025 0.000 2.807 522 T HA 0.336 4.686 4.350 -0.000 0.000 0.279 522 T C -0.207 174.338 174.700 -0.258 0.000 0.993 522 T CA -0.856 61.132 62.100 -0.187 0.000 0.970 522 T CB 1.607 70.311 68.868 -0.274 0.000 0.950 522 T HN -0.031 nan 8.240 nan 0.000 0.441 523 K N 2.325 122.518 120.400 -0.346 0.000 2.368 523 K HA 0.342 4.662 4.320 -0.000 0.000 0.282 523 K C -1.083 175.273 176.600 -0.407 0.000 1.035 523 K CA 0.123 56.198 56.287 -0.354 0.000 0.973 523 K CB 0.382 32.562 32.500 -0.534 0.000 0.957 523 K HN 0.418 nan 8.250 nan 0.000 0.474 524 F N 2.223 122.240 119.950 0.112 0.000 2.539 524 F HA 0.270 4.797 4.527 -0.000 0.000 0.318 524 F C -0.591 175.348 175.800 0.232 0.000 1.135 524 F CA -0.788 57.322 58.000 0.182 0.000 0.915 524 F CB 0.952 40.112 39.000 0.267 0.000 1.176 524 F HN 0.446 nan 8.300 nan 0.000 0.440 525 W N 4.101 125.574 121.300 0.287 0.000 2.313 525 W HA 0.519 5.178 4.660 -0.000 0.000 0.328 525 W C -0.556 176.167 176.519 0.339 0.000 1.197 525 W CA -0.569 56.956 57.345 0.301 0.000 1.235 525 W CB 0.604 30.171 29.460 0.179 0.000 1.158 525 W HN 0.446 nan 8.180 nan 0.000 0.578 526 Y N -0.301 120.348 120.300 0.581 0.000 2.609 526 Y HA 0.669 5.219 4.550 -0.000 0.000 0.342 526 Y C -0.969 175.161 175.900 0.384 0.000 1.058 526 Y CA -1.899 56.535 58.100 0.556 0.000 1.055 526 Y CB 1.234 40.166 38.460 0.787 0.000 1.292 526 Y HN 0.550 nan 8.280 nan 0.000 0.476 527 Q N 2.307 122.354 119.800 0.411 0.000 2.372 527 Q HA 0.715 5.055 4.340 -0.000 0.000 0.273 527 Q C -1.881 174.245 176.000 0.209 0.000 1.078 527 Q CA -1.103 54.816 55.803 0.194 0.000 0.806 527 Q CB 3.128 31.947 28.738 0.135 0.000 1.332 527 Q HN 0.897 nan 8.270 nan 0.000 0.435 528 M N 2.932 122.579 119.600 0.078 0.000 2.259 528 M HA 0.432 4.912 4.480 -0.000 0.000 0.304 528 M C -1.174 175.049 176.300 -0.129 0.000 1.019 528 M CA -0.900 54.373 55.300 -0.046 0.000 0.922 528 M CB 2.042 34.568 32.600 -0.123 0.000 1.600 528 M HN 0.619 nan 8.290 nan 0.000 0.433 529 I N 5.576 126.064 120.570 -0.135 0.000 2.291 529 I HA 0.278 4.448 4.170 -0.000 0.000 0.292 529 I C -0.443 175.511 176.117 -0.272 0.000 1.064 529 I CA -0.161 61.033 61.300 -0.177 0.000 1.269 529 I CB -0.191 37.726 38.000 -0.139 0.000 1.418 529 I HN 0.629 nan 8.210 nan 0.000 0.485 530 L N 8.418 129.423 121.223 -0.362 0.000 2.292 530 L HA 0.416 4.756 4.340 -0.000 0.000 0.284 530 L C -2.124 174.528 176.870 -0.363 0.000 1.065 530 L CA -1.818 52.695 54.840 -0.545 0.000 0.806 530 L CB 0.852 42.398 42.059 -0.855 0.000 1.175 530 L HN 0.249 nan 8.230 nan 0.000 0.431 531 P HA 0.052 nan 4.420 nan 0.000 0.268 531 P C -2.461 174.769 177.300 -0.117 0.000 1.208 531 P CA -0.819 62.173 63.100 -0.181 0.000 0.777 531 P CB -0.209 31.418 31.700 -0.122 0.000 0.875 532 P HA -0.051 nan 4.420 nan 0.000 0.267 532 P C -0.338 176.865 177.300 -0.161 0.000 1.200 532 P CA 0.859 63.800 63.100 -0.265 0.000 0.772 532 P CB -0.194 31.274 31.700 -0.387 0.000 0.855 533 H N -0.911 118.194 119.070 0.058 0.000 2.770 533 H HA -0.205 4.351 4.556 0.000 0.000 0.309 533 H C 0.055 175.439 175.328 0.094 0.000 1.206 533 H CA -0.105 55.980 56.048 0.060 0.000 1.147 533 H CB -2.349 27.442 29.762 0.049 0.000 1.422 533 H HN 0.373 nan 8.280 nan 0.000 0.420 534 F N 2.257 122.203 119.950 -0.008 0.000 2.608 534 F HA 0.217 4.744 4.527 0.000 0.000 0.380 534 F C 0.460 176.263 175.800 0.005 0.000 1.083 534 F CA -0.215 57.728 58.000 -0.095 0.000 1.266 534 F CB 0.597 39.437 39.000 -0.266 0.000 1.076 534 F HN 0.185 nan 8.300 nan 0.000 0.574 535 D N 5.853 125.867 120.400 -0.644 0.000 2.469 535 D HA 0.195 4.835 4.640 -0.000 0.000 0.251 535 D C 0.429 176.350 176.300 -0.633 0.000 1.173 535 D CA -0.447 53.258 54.000 -0.493 0.000 0.882 535 D CB 1.270 41.994 40.800 -0.128 0.000 1.129 535 D HN 0.656 nan 8.370 nan 0.000 0.549 536 K N 0.860 120.848 120.400 -0.687 0.000 2.281 536 K HA -0.081 4.239 4.320 -0.000 0.000 0.203 536 K C 1.658 178.234 176.600 -0.041 0.000 1.046 536 K CA 0.790 56.889 56.287 -0.314 0.000 0.938 536 K CB 0.196 32.628 32.500 -0.113 0.000 0.737 536 K HN 0.197 nan 8.250 nan 0.000 0.458 537 S N 0.843 116.489 115.700 -0.090 0.000 2.399 537 S HA -0.062 4.407 4.470 -0.000 0.000 0.231 537 S C 0.656 175.229 174.600 -0.045 0.000 1.022 537 S CA 1.050 59.222 58.200 -0.047 0.000 0.983 537 S CB 0.041 63.203 63.200 -0.063 0.000 0.803 537 S HN 0.291 nan 8.310 nan 0.000 0.480 538 K N 1.198 121.553 120.400 -0.074 0.000 2.102 538 K HA 0.296 4.616 4.320 -0.000 0.000 0.244 538 K C -0.308 176.249 176.600 -0.071 0.000 1.021 538 K CA -0.372 55.815 56.287 -0.167 0.000 0.913 538 K CB 0.370 32.608 32.500 -0.436 0.000 1.062 538 K HN -0.118 nan 8.250 nan 0.000 0.485 539 K N 2.198 122.500 120.400 -0.164 0.000 2.425 539 K HA 0.261 4.580 4.320 -0.000 0.000 0.259 539 K C -1.045 175.484 176.600 -0.120 0.000 0.978 539 K CA -0.376 55.887 56.287 -0.040 0.000 0.883 539 K CB 0.773 33.235 32.500 -0.063 0.000 1.110 539 K HN 0.466 nan 8.250 nan 0.000 0.436 540 Y N 2.372 122.716 120.300 0.074 0.000 2.352 540 Y HA 0.268 4.818 4.550 -0.000 0.000 0.326 540 Y C -1.811 174.033 175.900 -0.093 0.000 1.166 540 Y CA -2.271 55.843 58.100 0.023 0.000 1.182 540 Y CB 0.811 39.344 38.460 0.122 0.000 1.216 540 Y HN 0.408 nan 8.280 nan 0.000 0.474 541 P HA 0.105 nan 4.420 nan 0.000 0.269 541 P C -1.109 176.056 177.300 -0.225 0.000 1.209 541 P CA -0.075 62.746 63.100 -0.465 0.000 0.776 541 P CB 0.704 31.865 31.700 -0.898 0.000 0.876 542 L N 3.257 124.374 121.223 -0.176 0.000 2.386 542 L HA 0.638 4.978 4.340 -0.000 0.000 0.271 542 L C -1.436 175.627 176.870 0.321 0.000 0.993 542 L CA -1.047 53.846 54.840 0.089 0.000 0.819 542 L CB 1.761 43.877 42.059 0.094 0.000 1.294 542 L HN 0.134 nan 8.230 nan 0.000 0.414 543 L N 5.289 126.715 121.223 0.338 0.000 2.319 543 L HA 0.520 4.860 4.340 -0.000 0.000 0.281 543 L C -1.402 175.713 176.870 0.409 0.000 1.005 543 L CA -0.423 54.673 54.840 0.428 0.000 0.828 543 L CB 1.589 43.856 42.059 0.348 0.000 1.227 543 L HN 0.618 nan 8.230 nan 0.000 0.415 544 L N 5.098 126.612 121.223 0.485 0.000 2.278 544 L HA 0.417 4.757 4.340 -0.000 0.000 0.287 544 L C -0.557 176.560 176.870 0.413 0.000 1.072 544 L CA 0.246 55.362 54.840 0.459 0.000 0.819 544 L CB 0.574 42.953 42.059 0.534 0.000 1.176 544 L HN 0.646 nan 8.230 nan 0.000 0.435 545 D N 4.554 125.174 120.400 0.366 0.000 2.347 545 D HA 0.222 4.862 4.640 -0.000 0.000 0.235 545 D C -1.037 175.358 176.300 0.159 0.000 1.149 545 D CA 0.055 54.201 54.000 0.245 0.000 0.850 545 D CB 1.244 42.252 40.800 0.346 0.000 1.061 545 D HN 0.355 nan 8.370 nan 0.000 0.487 546 V N 5.663 125.599 119.914 0.037 0.000 2.680 546 V HA 0.412 4.531 4.120 -0.000 0.000 0.309 546 V C -0.852 175.335 176.094 0.155 0.000 1.052 546 V CA -0.433 61.943 62.300 0.127 0.000 0.908 546 V CB 1.730 33.623 31.823 0.118 0.000 1.001 546 V HN 0.658 nan 8.190 nan 0.000 0.431 547 Y N 5.420 125.790 120.300 0.117 0.000 2.972 547 Y HA 0.536 5.086 4.550 -0.000 0.000 0.229 547 Y C 1.626 177.667 175.900 0.236 0.000 0.980 547 Y CA 1.066 59.264 58.100 0.163 0.000 1.475 547 Y CB 0.287 38.828 38.460 0.134 0.000 1.459 547 Y HN 0.953 nan 8.280 nan 0.000 0.460 548 A N 1.058 123.993 122.820 0.191 0.000 2.816 548 A HA -0.177 4.143 4.320 -0.000 0.000 0.270 548 A C 0.846 178.267 177.584 -0.272 0.000 1.413 548 A CA 0.851 52.931 52.037 0.071 0.000 0.866 548 A CB -2.447 16.651 19.000 0.162 0.000 1.032 548 A HN 0.881 nan 8.150 nan 0.000 0.642 549 G N -1.009 107.376 108.800 -0.692 0.000 2.634 549 G HA2 0.481 4.441 3.960 -0.000 0.000 0.255 549 G HA3 0.481 4.441 3.960 -0.000 0.000 0.255 549 G C -2.255 172.309 174.900 -0.560 0.000 1.205 549 G CA -0.874 43.422 45.100 -1.339 0.000 0.884 549 G HN 0.303 nan 8.290 nan 0.000 0.549 550 P HA 0.087 nan 4.420 nan 0.000 0.264 550 P C 0.564 177.690 177.300 -0.290 0.000 1.193 550 P CA 0.104 62.881 63.100 -0.537 0.000 0.763 550 P CB 0.700 31.614 31.700 -1.311 0.000 0.810 551 C N 2.539 121.744 119.300 -0.158 0.000 4.358 551 C HA -0.154 4.306 4.460 -0.000 0.000 0.287 551 C C 1.013 176.018 174.990 0.024 0.000 1.414 551 C CA 1.136 60.035 59.018 -0.198 0.000 1.949 551 C CB -2.731 24.730 27.740 -0.464 0.000 1.274 551 C HN 0.792 nan 8.230 nan 0.000 0.793 552 S N -0.081 115.701 115.700 0.137 0.000 2.645 552 S HA 0.578 5.048 4.470 -0.000 0.000 0.266 552 S C -0.597 174.180 174.600 0.295 0.000 1.258 552 S CA 0.075 58.459 58.200 0.306 0.000 0.990 552 S CB 1.638 65.079 63.200 0.402 0.000 0.967 552 S HN 0.803 nan 8.310 nan 0.000 0.556 553 Q N -0.177 119.827 119.800 0.340 0.000 2.334 553 Q HA 0.349 4.689 4.340 -0.000 0.000 0.249 553 Q C -0.805 175.334 176.000 0.232 0.000 0.909 553 Q CA -0.537 55.451 55.803 0.310 0.000 0.823 553 Q CB 1.021 30.002 28.738 0.406 0.000 1.353 553 Q HN 0.694 nan 8.270 nan 0.000 0.433 554 K N 0.986 121.515 120.400 0.216 0.000 2.373 554 K HA 0.347 4.667 4.320 -0.000 0.000 0.200 554 K C -0.449 176.262 176.600 0.185 0.000 1.054 554 K CA 0.241 56.643 56.287 0.192 0.000 1.065 554 K CB 1.611 34.248 32.500 0.229 0.000 0.886 554 K HN 0.488 nan 8.250 nan 0.000 0.546 555 A N 2.812 125.751 122.820 0.197 0.000 2.273 555 A HA 0.445 4.765 4.320 -0.000 0.000 0.320 555 A C -0.749 176.912 177.584 0.128 0.000 1.358 555 A CA -0.475 51.680 52.037 0.197 0.000 0.910 555 A CB 0.210 19.386 19.000 0.293 0.000 1.159 555 A HN 0.241 nan 8.150 nan 0.000 0.526 556 D N 0.027 120.480 120.400 0.087 0.000 2.752 556 D HA 0.395 5.034 4.640 -0.000 0.000 0.313 556 D C 0.287 176.610 176.300 0.039 0.000 1.225 556 D CA 0.271 54.312 54.000 0.068 0.000 0.976 556 D CB 0.288 41.136 40.800 0.079 0.000 1.443 556 D HN 0.190 nan 8.370 nan 0.000 0.515 557 T N -2.144 112.456 114.554 0.077 0.000 3.223 557 T HA 0.359 4.709 4.350 -0.000 0.000 0.259 557 T C 0.397 175.072 174.700 -0.040 0.000 1.015 557 T CA -0.388 61.746 62.100 0.057 0.000 0.908 557 T CB -0.709 68.236 68.868 0.128 0.000 1.054 557 T HN 0.263 nan 8.240 nan 0.000 0.567 558 V N 2.313 122.099 119.914 -0.213 0.000 2.649 558 V HA 0.414 4.534 4.120 -0.000 0.000 0.292 558 V C -0.082 175.955 176.094 -0.094 0.000 1.055 558 V CA -1.026 61.096 62.300 -0.297 0.000 1.023 558 V CB 0.626 32.129 31.823 -0.533 0.000 0.992 558 V HN 0.574 nan 8.190 nan 0.000 0.480 559 F N 5.787 125.638 119.950 -0.166 0.000 2.408 559 F HA 0.661 5.188 4.527 -0.001 0.000 0.344 559 F C 0.341 176.083 175.800 -0.096 0.000 1.112 559 F CA -0.315 57.616 58.000 -0.114 0.000 1.096 559 F CB 0.543 39.486 39.000 -0.094 0.000 1.129 559 F HN 0.407 nan 8.300 nan 0.000 0.486 560 R N 6.443 126.390 120.500 -0.922 0.000 2.651 560 R HA 0.535 4.875 4.340 -0.000 0.000 0.278 560 R C -1.744 174.080 176.300 -0.793 0.000 1.010 560 R CA -1.072 54.664 56.100 -0.607 0.000 0.896 560 R CB 2.237 32.355 30.300 -0.304 0.000 1.211 560 R HN 0.663 nan 8.270 nan 0.000 0.456 561 L N 3.916 124.891 121.223 -0.413 0.000 2.295 561 L HA 0.430 4.770 4.340 -0.000 0.000 0.281 561 L C -0.601 176.215 176.870 -0.091 0.000 1.018 561 L CA -0.696 53.958 54.840 -0.310 0.000 0.841 561 L CB 0.691 42.726 42.059 -0.039 0.000 1.218 561 L HN 0.757 nan 8.230 nan 0.000 0.424 562 N N 0.464 119.025 118.700 -0.232 0.000 3.316 562 N HA 0.151 4.891 4.740 -0.000 0.000 0.300 562 N C 0.173 175.331 175.510 -0.586 0.000 1.567 562 N CA -0.922 51.910 53.050 -0.363 0.000 0.821 562 N CB 0.236 38.637 38.487 -0.144 0.000 1.748 562 N HN 0.326 nan 8.380 nan 0.000 0.603 563 W N 0.759 121.411 121.300 -1.079 0.000 2.321 563 W HA 0.017 4.677 4.660 0.000 0.000 0.306 563 W C 2.060 178.515 176.519 -0.106 0.000 1.217 563 W CA 3.136 60.121 57.345 -0.601 0.000 1.257 563 W CB -1.053 28.229 29.460 -0.296 0.000 1.145 563 W HN 0.728 nan 8.180 nan 0.000 0.509 564 A N -0.728 122.061 122.820 -0.052 0.000 1.978 564 A HA -0.216 4.104 4.320 -0.000 0.000 0.220 564 A C 1.954 179.419 177.584 -0.198 0.000 1.170 564 A CA 2.485 54.434 52.037 -0.147 0.000 0.636 564 A CB -1.283 17.716 19.000 -0.001 0.000 0.810 564 A HN 0.303 nan 8.150 nan 0.000 0.448 565 T N -1.370 113.060 114.554 -0.205 0.000 2.684 565 T HA -0.207 4.143 4.350 -0.000 0.000 0.267 565 T C 1.764 176.424 174.700 -0.068 0.000 1.036 565 T CA 1.711 63.647 62.100 -0.272 0.000 1.148 565 T CB -0.493 68.007 68.868 -0.613 0.000 0.863 565 T HN 0.698 nan 8.240 nan 0.000 0.436 566 Y N 1.813 122.132 120.300 0.032 0.000 2.181 566 Y HA -0.094 4.455 4.550 -0.000 0.000 0.288 566 Y C 1.989 177.857 175.900 -0.054 0.000 1.146 566 Y CA 1.150 59.342 58.100 0.152 0.000 1.164 566 Y CB -0.516 38.046 38.460 0.169 0.000 0.982 566 Y HN 0.105 nan 8.280 nan 0.000 0.515 567 L N 0.306 121.152 121.223 -0.629 0.000 2.046 567 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 567 L C 2.880 179.505 176.870 -0.409 0.000 1.077 567 L CA 1.212 55.614 54.840 -0.729 0.000 0.747 567 L CB -0.968 40.701 42.059 -0.650 0.000 0.896 567 L HN 0.416 nan 8.230 nan 0.000 0.432 568 A N -0.985 121.667 122.820 -0.281 0.000 1.897 568 A HA -0.186 4.134 4.320 -0.000 0.000 0.215 568 A C 2.535 180.029 177.584 -0.150 0.000 1.181 568 A CA 1.837 53.755 52.037 -0.197 0.000 0.620 568 A CB -0.597 18.284 19.000 -0.197 0.000 0.821 568 A HN 0.362 nan 8.150 nan 0.000 0.443 569 S N -1.128 114.495 115.700 -0.127 0.000 2.345 569 S HA -0.114 4.356 4.470 -0.000 0.000 0.219 569 S C 2.023 176.605 174.600 -0.030 0.000 1.031 569 S CA 2.229 60.399 58.200 -0.050 0.000 0.984 569 S CB -0.517 62.710 63.200 0.046 0.000 0.874 569 S HN 0.542 nan 8.310 nan 0.000 0.451 570 T N 1.481 115.992 114.554 -0.073 0.000 2.939 570 T HA 0.161 4.511 4.350 -0.000 0.000 0.254 570 T C 1.252 175.893 174.700 -0.097 0.000 1.041 570 T CA 0.741 62.813 62.100 -0.046 0.000 1.142 570 T CB -0.117 68.764 68.868 0.023 0.000 0.874 570 T HN 0.380 nan 8.240 nan 0.000 0.452 571 E N 1.118 121.178 120.200 -0.234 0.000 2.476 571 E HA 0.179 4.529 4.350 -0.000 0.000 0.196 571 E C -0.156 176.419 176.600 -0.043 0.000 1.029 571 E CA -0.149 56.163 56.400 -0.148 0.000 0.896 571 E CB -0.272 29.279 29.700 -0.248 0.000 1.012 571 E HN 0.444 nan 8.360 nan 0.000 0.475 572 N N 0.941 119.628 118.700 -0.020 0.000 2.714 572 N HA -0.197 4.543 4.740 -0.000 0.000 0.252 572 N C -0.928 174.665 175.510 0.138 0.000 1.014 572 N CA 0.471 53.581 53.050 0.100 0.000 0.735 572 N CB -1.265 37.353 38.487 0.219 0.000 0.924 572 N HN 0.275 nan 8.380 nan 0.000 0.540 573 I N 0.731 121.305 120.570 0.007 0.000 2.354 573 I HA 0.309 4.478 4.170 -0.000 0.000 0.292 573 I C 0.653 176.741 176.117 -0.049 0.000 0.989 573 I CA -0.870 60.446 61.300 0.026 0.000 1.188 573 I CB 1.116 39.140 38.000 0.041 0.000 1.342 573 I HN 0.045 nan 8.210 nan 0.000 0.457 574 I N 6.739 127.285 120.570 -0.039 0.000 2.533 574 I HA 0.067 4.237 4.170 -0.000 0.000 0.284 574 I C 0.121 176.219 176.117 -0.033 0.000 1.109 574 I CA -0.035 61.196 61.300 -0.115 0.000 1.412 574 I CB 0.924 38.864 38.000 -0.099 0.000 1.396 574 I HN 0.323 nan 8.210 nan 0.000 0.543 575 V N 6.867 126.749 119.914 -0.053 0.000 2.357 575 V HA 0.823 4.943 4.120 -0.000 0.000 0.284 575 V C -0.001 176.124 176.094 0.053 0.000 1.018 575 V CA -0.155 62.172 62.300 0.043 0.000 0.841 575 V CB 1.170 33.033 31.823 0.066 0.000 0.991 575 V HN 0.795 nan 8.190 nan 0.000 0.437 576 A N 4.907 127.793 122.820 0.111 0.000 2.330 576 A HA 0.962 5.282 4.320 -0.000 0.000 0.329 576 A C -0.048 177.715 177.584 0.299 0.000 1.135 576 A CA -0.580 51.531 52.037 0.124 0.000 0.817 576 A CB 1.908 20.847 19.000 -0.102 0.000 1.269 576 A HN 1.068 nan 8.150 nan 0.000 0.469 577 S N -0.356 115.564 115.700 0.367 0.000 2.549 577 S HA 0.749 5.219 4.470 -0.000 0.000 0.280 577 S C -1.510 173.449 174.600 0.598 0.000 1.109 577 S CA -0.299 58.154 58.200 0.423 0.000 0.905 577 S CB 1.355 64.740 63.200 0.308 0.000 1.081 577 S HN 0.756 nan 8.310 nan 0.000 0.477 578 F N 1.776 121.962 119.950 0.393 0.000 2.569 578 F HA 0.487 5.014 4.527 -0.000 0.000 0.312 578 F C -1.568 174.431 175.800 0.333 0.000 1.109 578 F CA -0.800 57.451 58.000 0.418 0.000 0.919 578 F CB 1.526 40.737 39.000 0.352 0.000 1.211 578 F HN 0.392 nan 8.300 nan 0.000 0.446 579 D N 4.554 124.706 120.400 -0.413 0.000 2.454 579 D HA 0.386 5.026 4.640 -0.000 0.000 0.225 579 D C 0.350 176.327 176.300 -0.540 0.000 1.081 579 D CA 0.101 53.957 54.000 -0.240 0.000 0.864 579 D CB 1.455 42.293 40.800 0.063 0.000 1.040 579 D HN 0.761 nan 8.370 nan 0.000 0.517 580 G N 1.228 109.802 108.800 -0.378 0.000 2.782 580 G HA2 0.303 4.263 3.960 -0.000 0.000 0.201 580 G HA3 0.303 4.263 3.960 -0.000 0.000 0.201 580 G C 0.108 174.955 174.900 -0.087 0.000 1.374 580 G CA -0.742 44.136 45.100 -0.371 0.000 1.039 580 G HN 0.277 nan 8.290 nan 0.000 0.576 581 R N -0.639 119.786 120.500 -0.125 0.000 2.570 581 R HA 0.364 4.704 4.340 -0.000 0.000 0.277 581 R C 1.241 177.616 176.300 0.126 0.000 1.039 581 R CA 1.450 57.612 56.100 0.104 0.000 1.065 581 R CB 0.465 30.819 30.300 0.091 0.000 0.964 581 R HN 1.057 nan 8.270 nan 0.000 0.428 582 G N 1.164 110.041 108.800 0.127 0.000 2.234 582 G HA2 -0.333 3.626 3.960 -0.000 0.000 0.235 582 G HA3 -0.333 3.626 3.960 -0.000 0.000 0.235 582 G C 0.174 175.093 174.900 0.031 0.000 0.997 582 G CA 0.174 45.323 45.100 0.082 0.000 0.623 582 G HN 0.733 nan 8.290 nan 0.000 0.514 583 S N 0.447 116.184 115.700 0.061 0.000 2.600 583 S HA 0.635 5.105 4.470 -0.000 0.000 0.265 583 S C 0.891 175.486 174.600 -0.009 0.000 1.325 583 S CA 0.528 58.762 58.200 0.056 0.000 1.002 583 S CB 1.691 64.957 63.200 0.110 0.000 0.921 583 S HN 1.685 nan 8.310 nan 0.000 0.554 584 G N -0.761 108.000 108.800 -0.066 0.000 2.531 584 G HA2 0.496 4.456 3.960 -0.000 0.000 0.313 584 G HA3 0.496 4.456 3.960 -0.000 0.000 0.313 584 G C -0.819 173.974 174.900 -0.178 0.000 1.238 584 G CA -1.063 43.826 45.100 -0.351 0.000 0.994 584 G HN 1.060 nan 8.290 nan 0.000 0.493 585 Y N -2.425 117.883 120.300 0.014 0.000 4.490 585 Y HA -0.232 4.318 4.550 -0.000 0.000 0.233 585 Y C 1.338 177.248 175.900 0.017 0.000 1.101 585 Y CA 0.992 59.104 58.100 0.020 0.000 2.010 585 Y CB -1.948 36.542 38.460 0.050 0.000 1.622 585 Y HN 0.522 nan 8.280 nan 0.000 0.675 586 Q N 0.120 119.945 119.800 0.042 0.000 2.086 586 Q HA 0.486 4.826 4.340 -0.000 0.000 0.220 586 Q C 0.868 176.749 176.000 -0.198 0.000 0.792 586 Q CA 0.185 56.014 55.803 0.044 0.000 1.062 586 Q CB 1.809 30.575 28.738 0.047 0.000 1.198 586 Q HN 0.566 nan 8.270 nan 0.000 0.466 587 G N 0.820 109.379 108.800 -0.402 0.000 2.699 587 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.686 587 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.686 587 G C -0.457 174.078 174.900 -0.609 0.000 1.301 587 G CA -0.507 44.090 45.100 -0.837 0.000 0.816 587 G HN 0.119 nan 8.290 nan 0.000 0.595 588 D N -0.058 119.946 120.400 -0.659 0.000 2.219 588 D HA -0.060 4.580 4.640 -0.000 0.000 0.205 588 D C 2.210 178.235 176.300 -0.458 0.000 0.970 588 D CA 1.349 54.914 54.000 -0.724 0.000 0.851 588 D CB 0.016 40.364 40.800 -0.753 0.000 0.943 588 D HN 0.646 nan 8.370 nan 0.000 0.488 589 K N 0.735 120.927 120.400 -0.347 0.000 2.032 589 K HA -0.137 4.183 4.320 -0.000 0.000 0.209 589 K C 2.045 178.576 176.600 -0.115 0.000 1.048 589 K CA 1.084 57.260 56.287 -0.184 0.000 0.927 589 K CB -0.124 32.282 32.500 -0.156 0.000 0.712 589 K HN 0.092 nan 8.250 nan 0.000 0.441 590 I N 0.417 120.906 120.570 -0.134 0.000 2.333 590 I HA -0.204 3.966 4.170 -0.000 0.000 0.246 590 I C 2.682 178.791 176.117 -0.014 0.000 1.106 590 I CA 0.895 62.190 61.300 -0.008 0.000 1.411 590 I CB -0.107 37.902 38.000 0.015 0.000 1.082 590 I HN 0.338 nan 8.210 nan 0.000 0.420 591 M N 0.079 119.588 119.600 -0.151 0.000 2.132 591 M HA -0.224 4.256 4.480 -0.000 0.000 0.263 591 M C 1.927 178.235 176.300 0.014 0.000 1.065 591 M CA 1.980 57.205 55.300 -0.124 0.000 1.122 591 M CB -0.289 32.127 32.600 -0.307 0.000 1.365 591 M HN 0.262 nan 8.290 nan 0.000 0.411 592 H N -0.771 118.194 119.070 -0.175 0.000 2.547 592 H HA 0.166 4.722 4.556 -0.000 0.000 0.266 592 H C 1.832 177.173 175.328 0.021 0.000 0.988 592 H CA 0.141 56.090 56.048 -0.165 0.000 1.147 592 H CB 0.174 29.759 29.762 -0.296 0.000 1.365 592 H HN 0.521 nan 8.280 nan 0.000 0.589 593 A N 1.453 124.375 122.820 0.170 0.000 2.070 593 A HA -0.146 4.174 4.320 -0.000 0.000 0.220 593 A C 1.864 179.641 177.584 0.322 0.000 1.159 593 A CA 1.210 53.369 52.037 0.203 0.000 0.656 593 A CB -0.471 18.615 19.000 0.145 0.000 0.800 593 A HN 0.436 nan 8.150 nan 0.000 0.453 594 I N -2.334 118.399 120.570 0.271 0.000 3.861 594 I HA 0.155 4.325 4.170 -0.000 0.000 0.329 594 I C 0.314 176.518 176.117 0.145 0.000 1.321 594 I CA -1.120 60.300 61.300 0.200 0.000 1.126 594 I CB -1.399 36.682 38.000 0.136 0.000 1.018 594 I HN 0.211 nan 8.210 nan 0.000 0.407 595 N N 3.192 122.021 118.700 0.215 0.000 2.365 595 N HA -0.092 4.648 4.740 -0.000 0.000 0.265 595 N C 0.182 175.727 175.510 0.059 0.000 1.288 595 N CA 0.330 53.501 53.050 0.202 0.000 0.869 595 N CB 0.240 38.806 38.487 0.132 0.000 1.071 595 N HN 0.367 nan 8.380 nan 0.000 0.480 596 R N 0.839 121.355 120.500 0.026 0.000 3.994 596 R HA -0.153 4.187 4.340 -0.000 0.000 0.403 596 R C -0.315 175.878 176.300 -0.178 0.000 1.126 596 R CA 0.716 56.788 56.100 -0.046 0.000 1.143 596 R CB -0.843 29.444 30.300 -0.022 0.000 1.695 596 R HN 0.614 nan 8.270 nan 0.000 0.555 597 R N 0.691 121.073 120.500 -0.196 0.000 2.688 597 R HA 0.302 4.642 4.340 -0.000 0.000 0.396 597 R C -0.183 176.088 176.300 -0.049 0.000 1.081 597 R CA -0.247 55.604 56.100 -0.415 0.000 1.093 597 R CB 0.318 30.352 30.300 -0.444 0.000 1.338 597 R HN 0.123 nan 8.270 nan 0.000 0.613 598 L N -0.276 120.995 121.223 0.081 0.000 2.483 598 L HA 0.161 4.501 4.340 -0.000 0.000 0.276 598 L C 1.409 178.523 176.870 0.408 0.000 1.213 598 L CA 0.971 55.905 54.840 0.156 0.000 0.843 598 L CB 0.369 42.331 42.059 -0.162 0.000 1.107 598 L HN 0.650 nan 8.230 nan 0.000 0.487 599 G N 0.695 109.763 108.800 0.447 0.000 2.143 599 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.249 599 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.249 599 G C 0.495 175.472 174.900 0.129 0.000 0.981 599 G CA 0.621 45.915 45.100 0.324 0.000 0.665 599 G HN 0.836 nan 8.290 nan 0.000 0.528 600 T N -3.185 111.404 114.554 0.058 0.000 3.422 600 T HA 0.466 4.816 4.350 -0.000 0.000 0.192 600 T C 1.689 176.354 174.700 -0.059 0.000 0.857 600 T CA 0.972 62.998 62.100 -0.123 0.000 1.400 600 T CB -0.116 68.478 68.868 -0.457 0.000 1.864 600 T HN 0.132 nan 8.240 nan 0.000 0.415 601 F N 3.375 123.363 119.950 0.063 0.000 2.216 601 F HA 0.100 4.627 4.527 -0.000 0.000 0.300 601 F C 2.795 178.621 175.800 0.044 0.000 1.085 601 F CA 1.027 59.052 58.000 0.040 0.000 1.326 601 F CB -0.698 38.322 39.000 0.033 0.000 1.027 601 F HN 0.508 nan 8.300 nan 0.000 0.497 602 E N 0.786 121.127 120.200 0.235 0.000 2.150 602 E HA -0.112 4.238 4.350 -0.000 0.000 0.193 602 E C 2.068 178.763 176.600 0.159 0.000 0.985 602 E CA 1.387 57.901 56.400 0.190 0.000 0.814 602 E CB -0.948 28.870 29.700 0.198 0.000 0.752 602 E HN 0.296 nan 8.360 nan 0.000 0.466 603 V N 1.637 121.621 119.914 0.118 0.000 2.323 603 V HA -0.191 3.929 4.120 -0.000 0.000 0.244 603 V C 2.335 178.460 176.094 0.052 0.000 1.041 603 V CA 2.071 64.396 62.300 0.042 0.000 1.025 603 V CB -0.587 31.216 31.823 -0.034 0.000 0.656 603 V HN 0.197 nan 8.190 nan 0.000 0.451 604 E N 0.154 120.402 120.200 0.081 0.000 2.110 604 E HA -0.233 4.117 4.350 -0.000 0.000 0.193 604 E C 1.916 178.545 176.600 0.049 0.000 0.988 604 E CA 1.473 57.919 56.400 0.077 0.000 0.804 604 E CB -0.172 29.605 29.700 0.129 0.000 0.745 604 E HN 0.574 nan 8.360 nan 0.000 0.458 605 D N 0.335 120.778 120.400 0.072 0.000 2.144 605 D HA -0.133 4.507 4.640 -0.000 0.000 0.200 605 D C 1.970 178.256 176.300 -0.023 0.000 0.978 605 D CA 0.762 54.778 54.000 0.027 0.000 0.833 605 D CB -0.102 40.755 40.800 0.094 0.000 0.961 605 D HN 0.099 nan 8.370 nan 0.000 0.470 606 Q N 0.132 119.982 119.800 0.083 0.000 2.119 606 Q HA -0.042 4.298 4.340 -0.000 0.000 0.201 606 Q C 2.534 178.570 176.000 0.060 0.000 0.972 606 Q CA 0.531 56.387 55.803 0.090 0.000 0.847 606 Q CB -0.099 28.718 28.738 0.132 0.000 0.903 606 Q HN 0.432 nan 8.270 nan 0.000 0.433 607 I N 0.562 121.181 120.570 0.080 0.000 2.252 607 I HA -0.244 3.925 4.170 -0.000 0.000 0.245 607 I C 2.397 178.464 176.117 -0.084 0.000 1.102 607 I CA 1.093 62.478 61.300 0.142 0.000 1.385 607 I CB -0.167 37.911 38.000 0.130 0.000 1.064 607 I HN 0.135 nan 8.210 nan 0.000 0.414 608 E N 1.589 121.692 120.200 -0.161 0.000 2.110 608 E HA -0.205 4.145 4.350 -0.000 0.000 0.193 608 E C 2.100 178.406 176.600 -0.491 0.000 0.988 608 E CA 1.673 57.916 56.400 -0.261 0.000 0.804 608 E CB -0.177 29.398 29.700 -0.209 0.000 0.745 608 E HN 0.405 nan 8.360 nan 0.000 0.458 609 A N 0.912 123.285 122.820 -0.745 0.000 1.883 609 A HA -0.103 4.217 4.320 -0.000 0.000 0.217 609 A C 2.488 179.262 177.584 -1.350 0.000 1.186 609 A CA 2.353 53.607 52.037 -1.305 0.000 0.624 609 A CB -1.182 16.827 19.000 -1.652 0.000 0.822 609 A HN 0.409 nan 8.150 nan 0.000 0.444 610 A N -0.380 122.016 122.820 -0.707 0.000 1.902 610 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 610 A C 2.249 179.591 177.584 -0.403 0.000 1.181 610 A CA 1.534 53.315 52.037 -0.427 0.000 0.623 610 A CB -0.500 18.314 19.000 -0.310 0.000 0.818 610 A HN 0.544 nan 8.150 nan 0.000 0.443 611 R N -0.619 119.655 120.500 -0.377 0.000 2.096 611 R HA -0.129 4.211 4.340 -0.000 0.000 0.235 611 R C 2.340 178.474 176.300 -0.277 0.000 1.127 611 R CA 1.478 57.409 56.100 -0.281 0.000 0.968 611 R CB -0.282 29.887 30.300 -0.218 0.000 0.861 611 R HN 0.663 nan 8.270 nan 0.000 0.440 612 Q N -0.459 119.108 119.800 -0.388 0.000 2.123 612 Q HA -0.082 4.258 4.340 -0.000 0.000 0.199 612 Q C 1.954 177.830 176.000 -0.208 0.000 0.966 612 Q CA 0.987 56.604 55.803 -0.310 0.000 0.845 612 Q CB -0.036 28.480 28.738 -0.370 0.000 0.907 612 Q HN 0.269 nan 8.270 nan 0.000 0.439 613 F N 1.240 121.016 119.950 -0.289 0.000 2.134 613 F HA -0.113 4.414 4.527 -0.000 0.000 0.299 613 F C 2.562 178.153 175.800 -0.348 0.000 1.097 613 F CA 0.687 58.495 58.000 -0.321 0.000 1.264 613 F CB -0.970 37.881 39.000 -0.249 0.000 1.001 613 F HN -0.057 nan 8.300 nan 0.000 0.479 614 S N -0.574 115.065 115.700 -0.101 0.000 2.382 614 S HA -0.191 4.279 4.470 -0.000 0.000 0.228 614 S C 1.972 176.467 174.600 -0.174 0.000 1.027 614 S CA 0.977 59.084 58.200 -0.155 0.000 0.991 614 S CB -0.285 62.823 63.200 -0.153 0.000 0.823 614 S HN 0.298 nan 8.310 nan 0.000 0.469 615 K N 0.367 120.672 120.400 -0.158 0.000 2.504 615 K HA 0.174 4.493 4.320 -0.000 0.000 0.195 615 K C 1.681 178.196 176.600 -0.142 0.000 1.036 615 K CA 0.353 56.561 56.287 -0.132 0.000 0.984 615 K CB -0.062 32.373 32.500 -0.109 0.000 0.788 615 K HN 0.347 nan 8.250 nan 0.000 0.488 616 M N -1.493 117.970 119.600 -0.228 0.000 2.349 616 M HA 0.008 4.488 4.480 -0.000 0.000 0.266 616 M C 1.298 177.423 176.300 -0.291 0.000 1.076 616 M CA 1.301 56.435 55.300 -0.276 0.000 1.126 616 M CB 0.558 32.881 32.600 -0.462 0.000 1.392 616 M HN 0.457 nan 8.290 nan 0.000 0.440 617 G N 0.279 108.882 108.800 -0.329 0.000 2.284 617 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.216 617 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.216 617 G C 0.462 175.325 174.900 -0.063 0.000 1.009 617 G CA 0.129 45.142 45.100 -0.145 0.000 0.625 617 G HN 0.544 nan 8.290 nan 0.000 0.501 618 F N 1.032 121.042 119.950 0.099 0.000 2.668 618 F HA 0.787 5.314 4.527 -0.000 0.000 0.297 618 F C 0.121 176.036 175.800 0.192 0.000 1.124 618 F CA -1.036 57.064 58.000 0.167 0.000 1.353 618 F CB 0.312 39.491 39.000 0.299 0.000 0.992 618 F HN 0.058 nan 8.300 nan 0.000 0.524 619 V N 1.268 121.163 119.914 -0.032 0.000 2.495 619 V HA 0.190 4.310 4.120 -0.000 0.000 0.298 619 V C -0.707 175.366 176.094 -0.036 0.000 1.031 619 V CA -0.776 61.522 62.300 -0.003 0.000 0.871 619 V CB 1.692 33.451 31.823 -0.106 0.000 0.988 619 V HN 0.112 nan 8.190 nan 0.000 0.432 620 D N 4.157 124.533 120.400 -0.039 0.000 2.402 620 D HA 0.076 4.716 4.640 -0.000 0.000 0.235 620 D C 1.201 177.440 176.300 -0.101 0.000 1.226 620 D CA 0.048 53.998 54.000 -0.084 0.000 0.918 620 D CB 0.422 41.152 40.800 -0.117 0.000 1.043 620 D HN 0.413 nan 8.370 nan 0.000 0.506 621 N N 3.005 121.651 118.700 -0.091 0.000 2.242 621 N HA -0.218 4.522 4.740 -0.000 0.000 0.193 621 N C 1.010 176.473 175.510 -0.079 0.000 1.000 621 N CA 1.061 54.054 53.050 -0.094 0.000 0.885 621 N CB 0.115 38.551 38.487 -0.085 0.000 0.988 621 N HN 0.520 nan 8.380 nan 0.000 0.444 622 K N -0.304 120.055 120.400 -0.068 0.000 2.418 622 K HA 0.123 4.443 4.320 -0.000 0.000 0.195 622 K C 0.189 176.777 176.600 -0.020 0.000 1.035 622 K CA 0.441 56.705 56.287 -0.038 0.000 1.003 622 K CB 0.414 32.894 32.500 -0.033 0.000 0.793 622 K HN 0.063 nan 8.250 nan 0.000 0.494 623 R N 1.193 121.639 120.500 -0.091 0.000 2.681 623 R HA 0.337 4.676 4.340 -0.000 0.000 0.277 623 R C -1.014 175.191 176.300 -0.159 0.000 1.563 623 R CA -0.127 55.876 56.100 -0.161 0.000 1.673 623 R CB 0.594 30.566 30.300 -0.547 0.000 1.258 623 R HN -0.001 nan 8.270 nan 0.000 0.650 624 I N 1.201 121.832 120.570 0.102 0.000 2.362 624 I HA 0.522 4.692 4.170 -0.000 0.000 0.289 624 I C 0.133 176.530 176.117 0.467 0.000 0.994 624 I CA -0.658 60.752 61.300 0.183 0.000 1.158 624 I CB 1.808 39.764 38.000 -0.072 0.000 1.315 624 I HN 0.309 nan 8.210 nan 0.000 0.451 625 A N 7.119 130.328 122.820 0.650 0.000 2.347 625 A HA 0.942 5.261 4.320 -0.000 0.000 0.301 625 A C -1.003 176.956 177.584 0.625 0.000 1.163 625 A CA -0.668 51.735 52.037 0.610 0.000 0.860 625 A CB 2.021 21.272 19.000 0.419 0.000 1.367 625 A HN 0.725 nan 8.150 nan 0.000 0.461 626 I N -0.212 120.630 120.570 0.453 0.000 2.775 626 I HA 0.668 4.838 4.170 -0.000 0.000 0.295 626 I C -2.036 174.338 176.117 0.430 0.000 1.287 626 I CA -0.532 60.967 61.300 0.331 0.000 1.029 626 I CB 1.727 39.639 38.000 -0.146 0.000 1.282 626 I HN 0.958 nan 8.210 nan 0.000 0.426 627 W N 6.819 128.248 121.300 0.215 0.000 3.137 627 W HA 0.851 5.511 4.660 0.000 0.000 0.324 627 W C -1.475 175.190 176.519 0.243 0.000 1.253 627 W CA -0.851 56.630 57.345 0.226 0.000 1.183 627 W CB 1.046 30.691 29.460 0.308 0.000 1.424 627 W HN 0.874 nan 8.180 nan 0.000 0.566 628 G N 0.677 109.373 108.800 -0.173 0.000 2.547 628 G HA2 0.444 4.404 3.960 -0.000 0.000 0.291 628 G HA3 0.444 4.404 3.960 -0.000 0.000 0.291 628 G C -2.854 171.992 174.900 -0.091 0.000 1.471 628 G CA -0.762 44.106 45.100 -0.387 0.000 0.798 628 G HN 0.618 nan 8.290 nan 0.000 0.504 629 W N 1.101 122.289 121.300 -0.186 0.000 2.656 629 W HA 0.601 5.261 4.660 -0.000 0.000 0.327 629 W C 0.733 177.318 176.519 0.110 0.000 1.041 629 W CA 0.411 57.732 57.345 -0.040 0.000 1.229 629 W CB 1.799 31.229 29.460 -0.050 0.000 1.397 629 W HN 1.220 nan 8.180 nan 0.000 0.479 630 S N 2.796 118.725 115.700 0.381 0.000 4.141 630 S HA -0.417 4.053 4.470 -0.000 0.000 0.622 630 S C 1.158 175.863 174.600 0.176 0.000 1.894 630 S CA 1.736 60.186 58.200 0.416 0.000 4.238 630 S CB -1.857 61.796 63.200 0.755 0.000 0.205 630 S HN 0.725 nan 8.310 nan 0.000 0.486 631 Y N 2.269 122.592 120.300 0.039 0.000 2.207 631 Y HA -0.023 4.527 4.550 -0.000 0.000 0.287 631 Y C 2.348 178.178 175.900 -0.118 0.000 1.156 631 Y CA 2.537 60.540 58.100 -0.162 0.000 1.182 631 Y CB -0.940 37.203 38.460 -0.529 0.000 0.979 631 Y HN 0.523 nan 8.280 nan 0.000 0.521 632 G N -0.924 107.924 108.800 0.079 0.000 2.418 632 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.217 632 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.217 632 G C 1.880 176.812 174.900 0.054 0.000 1.158 632 G CA 0.754 45.918 45.100 0.106 0.000 0.771 632 G HN 0.563 nan 8.290 nan 0.000 0.545 633 G N -0.241 108.595 108.800 0.060 0.000 2.422 633 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.218 633 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.218 633 G C 1.568 176.483 174.900 0.024 0.000 1.146 633 G CA 1.037 46.152 45.100 0.026 0.000 0.769 633 G HN 0.491 nan 8.290 nan 0.000 0.547 634 Y N 1.016 121.208 120.300 -0.180 0.000 2.114 634 Y HA -0.175 4.375 4.550 -0.000 0.000 0.284 634 Y C 2.839 178.629 175.900 -0.184 0.000 1.143 634 Y CA 1.833 59.772 58.100 -0.269 0.000 1.135 634 Y CB -0.212 37.932 38.460 -0.527 0.000 0.980 634 Y HN 0.035 nan 8.280 nan 0.000 0.499 635 V N -0.138 119.633 119.914 -0.238 0.000 2.343 635 V HA -0.339 3.781 4.120 -0.000 0.000 0.247 635 V C 2.315 178.284 176.094 -0.209 0.000 1.051 635 V CA 2.391 64.545 62.300 -0.245 0.000 1.036 635 V CB -1.112 30.711 31.823 0.000 0.000 0.654 635 V HN 0.515 nan 8.190 nan 0.000 0.451 636 T N -0.109 114.378 114.554 -0.110 0.000 2.684 636 T HA -0.198 4.152 4.350 -0.000 0.000 0.267 636 T C 2.136 176.769 174.700 -0.112 0.000 1.036 636 T CA 2.081 64.130 62.100 -0.086 0.000 1.148 636 T CB -0.249 68.649 68.868 0.050 0.000 0.863 636 T HN 0.545 nan 8.240 nan 0.000 0.436 637 S N 0.974 116.643 115.700 -0.052 0.000 2.368 637 S HA 0.001 4.470 4.470 -0.000 0.000 0.224 637 S C 2.130 176.639 174.600 -0.151 0.000 1.029 637 S CA 0.858 59.057 58.200 -0.001 0.000 0.988 637 S CB -0.252 63.005 63.200 0.095 0.000 0.838 637 S HN 0.321 nan 8.310 nan 0.000 0.462 638 M N 0.976 120.396 119.600 -0.300 0.000 2.159 638 M HA -0.026 4.454 4.480 -0.000 0.000 0.263 638 M C 2.187 178.323 176.300 -0.274 0.000 1.063 638 M CA 1.083 56.186 55.300 -0.329 0.000 1.110 638 M CB -1.393 30.898 32.600 -0.516 0.000 1.374 638 M HN 0.178 nan 8.290 nan 0.000 0.411 639 V N 0.485 120.223 119.914 -0.294 0.000 2.358 639 V HA -0.214 3.906 4.120 -0.000 0.000 0.246 639 V C 2.478 178.370 176.094 -0.338 0.000 1.047 639 V CA 1.247 63.367 62.300 -0.300 0.000 1.035 639 V CB -0.555 31.005 31.823 -0.440 0.000 0.658 639 V HN 0.400 nan 8.190 nan 0.000 0.452 640 L N 0.362 121.317 121.223 -0.447 0.000 2.265 640 L HA -0.038 4.302 4.340 -0.000 0.000 0.215 640 L C 2.079 178.408 176.870 -0.902 0.000 1.117 640 L CA 1.424 55.895 54.840 -0.616 0.000 0.782 640 L CB -0.611 41.001 42.059 -0.745 0.000 0.914 640 L HN 0.485 nan 8.230 nan 0.000 0.441 641 G N -1.512 106.814 108.800 -0.788 0.000 3.434 641 G HA2 0.012 3.971 3.960 -0.000 0.000 0.258 641 G HA3 0.012 3.971 3.960 -0.000 0.000 0.258 641 G C 1.378 176.140 174.900 -0.230 0.000 1.128 641 G CA 0.518 45.289 45.100 -0.547 0.000 0.792 641 G HN 0.385 nan 8.290 nan 0.000 0.539 642 S N -0.749 114.827 115.700 -0.207 0.000 2.470 642 S HA 0.290 4.760 4.470 -0.000 0.000 0.225 642 S C 2.012 176.572 174.600 -0.067 0.000 1.006 642 S CA 1.115 59.252 58.200 -0.106 0.000 0.934 642 S CB -0.084 63.070 63.200 -0.076 0.000 0.778 642 S HN 1.370 nan 8.310 nan 0.000 0.517 643 G N 1.243 109.996 108.800 -0.077 0.000 2.159 643 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.256 643 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.256 643 G C 1.060 175.950 174.900 -0.017 0.000 0.977 643 G CA 1.008 46.083 45.100 -0.042 0.000 0.652 643 G HN 1.288 nan 8.290 nan 0.000 0.531 644 S N -0.334 115.366 115.700 0.000 0.000 2.399 644 S HA 0.266 4.736 4.470 -0.000 0.000 0.231 644 S C 2.624 177.227 174.600 0.006 0.000 1.022 644 S CA 1.838 60.049 58.200 0.018 0.000 0.983 644 S CB -0.390 62.850 63.200 0.066 0.000 0.803 644 S HN 2.452 nan 8.310 nan 0.000 0.480 645 G N -0.185 108.624 108.800 0.017 0.000 2.184 645 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.264 645 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.264 645 G C 0.724 175.608 174.900 -0.026 0.000 0.975 645 G CA 0.413 45.513 45.100 0.001 0.000 0.642 645 G HN 0.698 nan 8.290 nan 0.000 0.536 646 V N -0.569 119.317 119.914 -0.047 0.000 2.535 646 V HA 0.299 4.419 4.120 -0.000 0.000 0.246 646 V C 1.169 177.060 176.094 -0.337 0.000 1.045 646 V CA 1.376 63.522 62.300 -0.257 0.000 1.058 646 V CB -0.286 31.256 31.823 -0.469 0.000 0.689 646 V HN 0.297 nan 8.190 nan 0.000 0.461 647 F N 0.070 120.029 119.950 0.014 0.000 2.421 647 F HA 0.387 4.914 4.527 -0.000 0.000 0.337 647 F C 1.114 176.952 175.800 0.064 0.000 1.105 647 F CA -0.471 57.564 58.000 0.059 0.000 1.049 647 F CB 1.401 40.435 39.000 0.057 0.000 1.139 647 F HN -0.229 nan 8.300 nan 0.000 0.479 648 K N 1.707 122.271 120.400 0.273 0.000 2.137 648 K HA 0.111 4.431 4.320 -0.000 0.000 0.202 648 K C -0.084 176.647 176.600 0.218 0.000 1.052 648 K CA 0.909 57.320 56.287 0.206 0.000 0.961 648 K CB 0.260 32.885 32.500 0.209 0.000 0.741 648 K HN 0.798 nan 8.250 nan 0.000 0.452 649 c N -2.694 116.076 118.600 0.284 0.000 3.321 649 c HA 0.903 5.473 4.570 -0.000 0.000 0.329 649 c C -0.235 174.085 174.090 0.384 0.000 1.394 649 c CA -0.543 55.976 56.329 0.316 0.000 1.291 649 c CB 1.091 43.726 42.510 0.209 0.000 1.606 649 c HN 0.366 nan 8.230 nan 0.000 0.463 650 G N -0.122 108.977 108.800 0.498 0.000 2.601 650 G HA2 0.693 4.653 3.960 -0.000 0.000 0.291 650 G HA3 0.693 4.653 3.960 -0.000 0.000 0.291 650 G C -2.023 173.103 174.900 0.376 0.000 1.456 650 G CA -0.689 44.670 45.100 0.432 0.000 0.804 650 G HN 1.021 nan 8.290 nan 0.000 0.499 651 I N 0.808 121.564 120.570 0.310 0.000 2.447 651 I HA 0.600 4.770 4.170 -0.000 0.000 0.287 651 I C 0.155 176.387 176.117 0.190 0.000 1.023 651 I CA -0.962 60.398 61.300 0.101 0.000 1.083 651 I CB 2.114 40.171 38.000 0.095 0.000 1.245 651 I HN 0.657 nan 8.210 nan 0.000 0.434 652 A N 6.605 129.438 122.820 0.021 0.000 2.287 652 A HA 0.774 5.094 4.320 -0.000 0.000 0.317 652 A C -0.692 176.799 177.584 -0.155 0.000 1.220 652 A CA -0.500 51.553 52.037 0.026 0.000 0.835 652 A CB 1.166 20.253 19.000 0.145 0.000 1.180 652 A HN 0.450 nan 8.150 nan 0.000 0.500 653 V N 2.161 121.930 119.914 -0.243 0.000 2.417 653 V HA 0.566 4.686 4.120 -0.000 0.000 0.291 653 V C 0.925 176.594 176.094 -0.708 0.000 1.024 653 V CA 0.326 62.268 62.300 -0.597 0.000 0.861 653 V CB 0.821 32.018 31.823 -1.044 0.000 0.985 653 V HN 2.086 nan 8.190 nan 0.000 0.436 654 A N 5.695 128.071 122.820 -0.739 0.000 2.511 654 A HA -0.104 4.216 4.320 -0.000 0.000 0.297 654 A C -1.785 175.591 177.584 -0.346 0.000 1.476 654 A CA 0.380 51.869 52.037 -0.913 0.000 0.757 654 A CB -1.565 17.038 19.000 -0.661 0.000 1.072 654 A HN 0.611 nan 8.150 nan 0.000 0.413 655 P HA 0.400 nan 4.420 nan 0.000 0.278 655 P C 0.213 177.455 177.300 -0.096 0.000 1.238 655 P CA -0.157 62.893 63.100 -0.084 0.000 0.794 655 P CB 1.305 32.989 31.700 -0.028 0.000 0.955 656 V N 2.524 122.289 119.914 -0.248 0.000 2.686 656 V HA 0.052 4.172 4.120 -0.000 0.000 0.295 656 V C 1.786 177.664 176.094 -0.359 0.000 1.055 656 V CA 0.991 63.004 62.300 -0.478 0.000 1.050 656 V CB 0.772 31.941 31.823 -1.090 0.000 0.984 656 V HN 0.830 nan 8.190 nan 0.000 0.482 657 S N 4.027 119.557 115.700 -0.284 0.000 2.564 657 S HA 0.241 4.711 4.470 -0.000 0.000 0.231 657 S C 0.485 174.916 174.600 -0.281 0.000 1.067 657 S CA -0.297 57.812 58.200 -0.151 0.000 0.908 657 S CB 0.324 63.506 63.200 -0.030 0.000 0.809 657 S HN 0.844 nan 8.310 nan 0.000 0.491 658 R N -1.338 118.873 120.500 -0.482 0.000 2.566 658 R HA 0.484 4.824 4.340 -0.000 0.000 0.271 658 R C -0.901 175.049 176.300 -0.584 0.000 1.071 658 R CA -0.882 54.872 56.100 -0.577 0.000 0.915 658 R CB -0.141 29.825 30.300 -0.557 0.000 1.228 658 R HN 0.128 nan 8.270 nan 0.000 0.449 659 W N 1.314 122.499 121.300 -0.192 0.000 2.392 659 W HA -0.027 4.633 4.660 -0.000 0.000 0.279 659 W C 1.164 177.795 176.519 0.186 0.000 1.225 659 W CA 0.948 58.267 57.345 -0.044 0.000 1.233 659 W CB 0.178 29.502 29.460 -0.227 0.000 1.122 659 W HN 0.749 nan 8.180 nan 0.000 0.561 660 E N -0.905 119.474 120.200 0.298 0.000 2.265 660 E HA -0.215 4.135 4.350 -0.000 0.000 0.196 660 E C 1.472 178.208 176.600 0.227 0.000 0.996 660 E CA 1.171 57.689 56.400 0.197 0.000 0.832 660 E CB -0.453 29.252 29.700 0.008 0.000 0.756 660 E HN 0.354 nan 8.360 nan 0.000 0.491 661 Y N -1.323 119.061 120.300 0.140 0.000 2.519 661 Y HA 0.043 4.593 4.550 -0.000 0.000 0.287 661 Y C 0.777 176.772 175.900 0.159 0.000 1.128 661 Y CA -0.318 57.836 58.100 0.090 0.000 1.282 661 Y CB -0.590 37.867 38.460 -0.005 0.000 1.027 661 Y HN 0.034 nan 8.280 nan 0.000 0.551 662 Y N 2.056 122.495 120.300 0.232 0.000 2.295 662 Y HA 0.235 4.785 4.550 -0.000 0.000 0.331 662 Y C 0.405 176.505 175.900 0.334 0.000 1.311 662 Y CA -1.981 56.266 58.100 0.243 0.000 1.430 662 Y CB 0.262 38.896 38.460 0.291 0.000 1.339 662 Y HN 0.210 nan 8.280 nan 0.000 0.552 663 D N -0.473 119.581 120.400 -0.578 0.000 2.399 663 D HA 0.089 4.729 4.640 -0.000 0.000 0.241 663 D C 0.991 177.234 176.300 -0.094 0.000 1.133 663 D CA 0.379 54.131 54.000 -0.414 0.000 0.890 663 D CB 0.919 41.261 40.800 -0.763 0.000 1.201 663 D HN 0.477 nan 8.370 nan 0.000 0.432 664 S N 1.686 117.352 115.700 -0.057 0.000 2.359 664 S HA -0.277 4.193 4.470 -0.000 0.000 0.224 664 S C 2.073 176.684 174.600 0.018 0.000 1.035 664 S CA 1.306 59.531 58.200 0.041 0.000 1.018 664 S CB -1.094 62.139 63.200 0.055 0.000 0.876 664 S HN 0.719 nan 8.310 nan 0.000 0.448 665 V N -0.110 119.755 119.914 -0.083 0.000 2.358 665 V HA -0.060 4.060 4.120 -0.000 0.000 0.246 665 V C 2.102 178.094 176.094 -0.171 0.000 1.047 665 V CA 1.765 63.939 62.300 -0.210 0.000 1.035 665 V CB -1.206 30.279 31.823 -0.564 0.000 0.658 665 V HN 0.565 nan 8.190 nan 0.000 0.452 666 Y N 1.951 122.163 120.300 -0.146 0.000 2.109 666 Y HA -0.151 4.399 4.550 -0.000 0.000 0.285 666 Y C 2.727 178.580 175.900 -0.080 0.000 1.131 666 Y CA 2.803 60.880 58.100 -0.038 0.000 1.121 666 Y CB -0.665 37.971 38.460 0.295 0.000 0.987 666 Y HN 0.310 nan 8.280 nan 0.000 0.495 667 T N 0.388 115.146 114.554 0.341 0.000 2.652 667 T HA -0.218 4.132 4.350 -0.000 0.000 0.267 667 T C 1.556 176.216 174.700 -0.065 0.000 1.039 667 T CA 2.001 64.233 62.100 0.220 0.000 1.153 667 T CB -0.327 68.813 68.868 0.454 0.000 0.863 667 T HN 0.457 nan 8.240 nan 0.000 0.428 668 E N 0.469 120.657 120.200 -0.021 0.000 2.204 668 E HA -0.069 4.280 4.350 -0.000 0.000 0.194 668 E C 2.368 178.847 176.600 -0.202 0.000 0.989 668 E CA 0.351 56.737 56.400 -0.024 0.000 0.824 668 E CB -0.113 29.620 29.700 0.055 0.000 0.756 668 E HN 0.334 nan 8.360 nan 0.000 0.477 669 R N 0.246 120.467 120.500 -0.465 0.000 2.103 669 R HA -0.207 4.133 4.340 -0.000 0.000 0.242 669 R C 1.222 177.042 176.300 -0.799 0.000 1.142 669 R CA 1.726 57.373 56.100 -0.755 0.000 0.960 669 R CB -0.020 29.469 30.300 -1.351 0.000 0.858 669 R HN 0.258 nan 8.270 nan 0.000 0.439 670 Y N -2.378 117.628 120.300 -0.489 0.000 2.498 670 Y HA 0.233 4.783 4.550 -0.000 0.000 0.259 670 Y C 1.657 177.382 175.900 -0.291 0.000 1.086 670 Y CA -0.087 57.732 58.100 -0.468 0.000 1.287 670 Y CB 0.454 38.502 38.460 -0.688 0.000 1.146 670 Y HN -0.049 nan 8.280 nan 0.000 0.523 671 M N -0.334 119.165 119.600 -0.169 0.000 2.308 671 M HA 0.364 4.844 4.480 -0.000 0.000 0.269 671 M C 1.149 177.483 176.300 0.056 0.000 1.040 671 M CA 0.725 55.927 55.300 -0.163 0.000 1.024 671 M CB -0.341 31.963 32.600 -0.493 0.000 1.465 671 M HN 0.357 nan 8.290 nan 0.000 0.517 672 G N 1.872 110.709 108.800 0.061 0.000 2.575 672 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.267 672 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.267 672 G C -0.641 174.394 174.900 0.226 0.000 1.264 672 G CA -0.711 44.460 45.100 0.119 0.000 0.935 672 G HN 0.251 nan 8.290 nan 0.000 0.568 673 L N 2.523 123.846 121.223 0.167 0.000 2.325 673 L HA 0.533 4.873 4.340 -0.000 0.000 0.279 673 L C -1.421 175.423 176.870 -0.044 0.000 1.054 673 L CA -2.146 52.738 54.840 0.073 0.000 0.804 673 L CB 1.229 43.301 42.059 0.022 0.000 1.200 673 L HN 0.442 nan 8.230 nan 0.000 0.436 674 P HA 0.115 nan 4.420 nan 0.000 0.220 674 P C -0.622 176.513 177.300 -0.274 0.000 1.806 674 P CA -0.113 62.548 63.100 -0.731 0.000 0.976 674 P CB -0.375 30.567 31.700 -1.262 0.000 1.952 675 T N -2.735 111.750 114.554 -0.115 0.000 2.916 675 T HA 0.493 4.842 4.350 -0.000 0.000 0.292 675 T C -2.316 172.376 174.700 -0.013 0.000 1.055 675 T CA -2.465 59.602 62.100 -0.056 0.000 1.009 675 T CB 1.724 70.571 68.868 -0.035 0.000 1.118 675 T HN -0.290 nan 8.240 nan 0.000 0.497 676 P HA -0.010 nan 4.420 nan 0.000 0.221 676 P C 0.890 178.200 177.300 0.016 0.000 1.145 676 P CA 0.878 63.985 63.100 0.010 0.000 0.795 676 P CB 0.073 31.777 31.700 0.006 0.000 0.775 677 E N -1.381 118.825 120.200 0.010 0.000 2.358 677 E HA -0.076 4.274 4.350 -0.000 0.000 0.195 677 E C 1.330 177.944 176.600 0.023 0.000 1.010 677 E CA 0.798 57.206 56.400 0.013 0.000 0.856 677 E CB -0.296 29.407 29.700 0.006 0.000 0.795 677 E HN 0.282 nan 8.360 nan 0.000 0.504 678 D N -1.114 119.306 120.400 0.033 0.000 3.051 678 D HA 0.067 4.707 4.640 -0.000 0.000 0.216 678 D C 0.203 176.557 176.300 0.089 0.000 1.454 678 D CA 0.103 54.135 54.000 0.054 0.000 1.400 678 D CB -0.034 40.798 40.800 0.055 0.000 0.975 678 D HN -0.053 nan 8.370 nan 0.000 0.212 679 N N 0.074 118.858 118.700 0.140 0.000 2.299 679 N HA 0.106 4.845 4.740 -0.000 0.000 0.246 679 N C 1.047 176.744 175.510 0.313 0.000 1.254 679 N CA -0.093 53.092 53.050 0.225 0.000 0.879 679 N CB 0.218 38.869 38.487 0.273 0.000 1.214 679 N HN 0.095 nan 8.380 nan 0.000 0.510 680 L N 0.646 121.968 121.223 0.165 0.000 2.021 680 L HA -0.175 4.165 4.340 -0.000 0.000 0.215 680 L C 1.190 178.162 176.870 0.170 0.000 1.074 680 L CA 2.021 56.930 54.840 0.115 0.000 0.760 680 L CB -0.391 41.679 42.059 0.019 0.000 0.889 680 L HN 0.174 nan 8.230 nan 0.000 0.433 681 D N -1.783 118.703 120.400 0.142 0.000 2.123 681 D HA -0.248 4.392 4.640 -0.000 0.000 0.196 681 D C 2.070 178.466 176.300 0.159 0.000 0.992 681 D CA 1.712 55.787 54.000 0.124 0.000 0.833 681 D CB -0.248 40.613 40.800 0.101 0.000 0.954 681 D HN 0.575 nan 8.370 nan 0.000 0.455 682 H N -0.704 118.436 119.070 0.116 0.000 2.428 682 H HA -0.061 4.495 4.556 -0.000 0.000 0.296 682 H C 1.697 177.094 175.328 0.115 0.000 1.062 682 H CA 1.183 57.279 56.048 0.081 0.000 1.350 682 H CB -0.326 29.450 29.762 0.024 0.000 1.403 682 H HN 0.146 nan 8.280 nan 0.000 0.533 683 Y N 0.166 120.455 120.300 -0.019 0.000 2.207 683 Y HA -0.196 4.354 4.550 -0.000 0.000 0.287 683 Y C 2.345 178.202 175.900 -0.071 0.000 1.156 683 Y CA 1.394 59.483 58.100 -0.019 0.000 1.182 683 Y CB 0.150 38.631 38.460 0.035 0.000 0.979 683 Y HN 0.132 nan 8.280 nan 0.000 0.521 684 R N -0.421 120.142 120.500 0.105 0.000 2.161 684 R HA -0.036 4.304 4.340 -0.000 0.000 0.213 684 R C 1.401 177.690 176.300 -0.018 0.000 1.055 684 R CA 0.612 56.732 56.100 0.033 0.000 0.996 684 R CB -0.580 29.743 30.300 0.039 0.000 0.901 684 R HN 0.414 nan 8.270 nan 0.000 0.456 685 N N 0.711 119.378 118.700 -0.054 0.000 2.422 685 N HA -0.043 4.697 4.740 -0.000 0.000 0.181 685 N C 0.431 175.871 175.510 -0.116 0.000 1.080 685 N CA 0.592 53.607 53.050 -0.060 0.000 0.893 685 N CB 0.383 38.874 38.487 0.006 0.000 0.973 685 N HN 0.127 nan 8.380 nan 0.000 0.456 686 S N -0.542 115.038 115.700 -0.200 0.000 2.574 686 S HA 0.067 4.536 4.470 -0.000 0.000 0.242 686 S C 0.586 175.218 174.600 0.054 0.000 0.982 686 S CA -0.727 57.414 58.200 -0.099 0.000 0.977 686 S CB -0.193 62.878 63.200 -0.214 0.000 0.814 686 S HN 0.146 nan 8.310 nan 0.000 0.464 687 T N -1.268 113.276 114.554 -0.017 0.000 2.913 687 T HA 0.476 4.825 4.350 -0.000 0.000 0.287 687 T C 1.349 176.039 174.700 -0.018 0.000 1.008 687 T CA -0.159 61.921 62.100 -0.034 0.000 1.067 687 T CB 1.498 70.314 68.868 -0.088 0.000 0.996 687 T HN 0.424 nan 8.240 nan 0.000 0.513 688 V N 2.012 121.912 119.914 -0.023 0.000 2.548 688 V HA -0.047 4.073 4.120 -0.000 0.000 0.249 688 V C 2.223 178.272 176.094 -0.074 0.000 1.055 688 V CA 1.412 63.682 62.300 -0.050 0.000 1.065 688 V CB -1.144 30.643 31.823 -0.059 0.000 0.681 688 V HN 0.852 nan 8.190 nan 0.000 0.462 689 M N 2.382 121.927 119.600 -0.093 0.000 2.144 689 M HA -0.149 4.331 4.480 -0.000 0.000 0.260 689 M C 2.389 178.650 176.300 -0.066 0.000 1.067 689 M CA 2.449 57.688 55.300 -0.101 0.000 1.095 689 M CB -1.016 31.540 32.600 -0.074 0.000 1.365 689 M HN 0.749 nan 8.290 nan 0.000 0.406 690 S N -0.490 115.185 115.700 -0.041 0.000 2.515 690 S HA -0.046 4.424 4.470 -0.000 0.000 0.231 690 S C 1.692 176.290 174.600 -0.003 0.000 0.987 690 S CA 0.571 58.759 58.200 -0.021 0.000 0.936 690 S CB -0.427 62.762 63.200 -0.018 0.000 0.766 690 S HN 0.536 nan 8.310 nan 0.000 0.528 691 R N 0.524 121.032 120.500 0.013 0.000 2.427 691 R HA 0.446 4.786 4.340 -0.000 0.000 0.262 691 R C 2.036 178.424 176.300 0.147 0.000 0.943 691 R CA 0.410 56.546 56.100 0.061 0.000 1.081 691 R CB -0.190 30.147 30.300 0.061 0.000 1.166 691 R HN 0.477 nan 8.270 nan 0.000 0.534 692 A N 1.608 124.457 122.820 0.049 0.000 1.917 692 A HA -0.276 4.044 4.320 -0.000 0.000 0.219 692 A C 2.060 179.709 177.584 0.109 0.000 1.182 692 A CA 1.868 53.903 52.037 -0.004 0.000 0.633 692 A CB -0.243 18.690 19.000 -0.112 0.000 0.819 692 A HN 0.275 nan 8.150 nan 0.000 0.448 693 E N 0.835 121.079 120.200 0.074 0.000 2.118 693 E HA -0.180 4.170 4.350 -0.000 0.000 0.195 693 E C 1.534 178.189 176.600 0.093 0.000 0.992 693 E CA 1.659 58.101 56.400 0.071 0.000 0.804 693 E CB -0.299 29.425 29.700 0.041 0.000 0.741 693 E HN 0.619 nan 8.360 nan 0.000 0.458 694 N N -0.444 118.310 118.700 0.090 0.000 2.550 694 N HA -0.092 4.648 4.740 -0.000 0.000 0.186 694 N C 0.585 176.081 175.510 -0.023 0.000 1.110 694 N CA 0.406 53.465 53.050 0.016 0.000 0.912 694 N CB -0.135 38.322 38.487 -0.051 0.000 0.968 694 N HN 0.227 nan 8.380 nan 0.000 0.448 695 F N 1.432 121.334 119.950 -0.080 0.000 2.699 695 F HA 0.070 4.597 4.527 -0.000 0.000 0.298 695 F C 1.928 177.729 175.800 0.002 0.000 1.154 695 F CA 0.542 58.490 58.000 -0.088 0.000 1.457 695 F CB 0.118 39.015 39.000 -0.172 0.000 1.106 695 F HN -0.090 nan 8.300 nan 0.000 0.585 696 K N -0.160 120.330 120.400 0.151 0.000 2.442 696 K HA -0.125 4.195 4.320 -0.000 0.000 0.198 696 K C 1.431 178.081 176.600 0.083 0.000 1.042 696 K CA 0.769 57.128 56.287 0.120 0.000 0.958 696 K CB -0.123 32.430 32.500 0.088 0.000 0.766 696 K HN 0.417 nan 8.250 nan 0.000 0.474 697 Q N 0.334 120.157 119.800 0.040 0.000 2.360 697 Q HA 0.035 4.374 4.340 -0.000 0.000 0.202 697 Q C 0.242 176.260 176.000 0.030 0.000 0.915 697 Q CA 0.040 55.854 55.803 0.019 0.000 0.943 697 Q CB 0.706 29.435 28.738 -0.015 0.000 1.064 697 Q HN 0.115 nan 8.270 nan 0.000 0.511 698 V N -3.515 116.429 119.914 0.050 0.000 3.181 698 V HA 0.482 4.601 4.120 -0.000 0.000 0.308 698 V C -1.412 174.804 176.094 0.204 0.000 1.214 698 V CA -1.346 61.011 62.300 0.095 0.000 1.053 698 V CB 2.278 34.105 31.823 0.008 0.000 1.069 698 V HN -0.050 nan 8.190 nan 0.000 0.441 699 E N 1.188 121.546 120.200 0.263 0.000 2.134 699 E HA 0.517 4.867 4.350 -0.000 0.000 0.278 699 E C -1.874 175.089 176.600 0.606 0.000 0.959 699 E CA -0.387 56.243 56.400 0.384 0.000 0.783 699 E CB 1.821 31.678 29.700 0.261 0.000 1.095 699 E HN 0.660 nan 8.360 nan 0.000 0.399 700 Y N 3.182 123.749 120.300 0.444 0.000 2.409 700 Y HA 0.506 5.056 4.550 -0.000 0.000 0.343 700 Y C -1.667 174.336 175.900 0.170 0.000 0.973 700 Y CA -1.614 56.694 58.100 0.346 0.000 1.064 700 Y CB 1.193 39.906 38.460 0.422 0.000 1.207 700 Y HN 0.429 nan 8.280 nan 0.000 0.452 701 L N 7.393 128.345 121.223 -0.453 0.000 2.376 701 L HA 0.641 4.981 4.340 -0.000 0.000 0.275 701 L C -2.292 174.133 176.870 -0.742 0.000 0.987 701 L CA -0.825 53.609 54.840 -0.676 0.000 0.828 701 L CB 1.487 42.806 42.059 -1.232 0.000 1.249 701 L HN 0.621 nan 8.230 nan 0.000 0.409 702 L N 6.448 127.341 121.223 -0.548 0.000 2.333 702 L HA 0.718 5.058 4.340 -0.000 0.000 0.280 702 L C -1.246 175.501 176.870 -0.204 0.000 1.004 702 L CA -0.054 54.505 54.840 -0.469 0.000 0.820 702 L CB 1.295 43.107 42.059 -0.411 0.000 1.247 702 L HN 0.599 nan 8.230 nan 0.000 0.416 703 I N 4.406 124.863 120.570 -0.187 0.000 2.582 703 I HA 0.467 4.637 4.170 -0.000 0.000 0.292 703 I C -1.231 174.865 176.117 -0.036 0.000 1.066 703 I CA -0.747 60.496 61.300 -0.095 0.000 1.053 703 I CB 2.118 40.022 38.000 -0.160 0.000 1.241 703 I HN 0.700 nan 8.210 nan 0.000 0.421 704 H N 2.208 121.322 119.070 0.074 0.000 3.123 704 H HA 0.421 4.977 4.556 -0.000 0.000 0.346 704 H C -0.410 175.151 175.328 0.389 0.000 1.138 704 H CA -0.616 55.526 56.048 0.158 0.000 1.273 704 H CB 1.965 31.760 29.762 0.055 0.000 1.926 704 H HN 0.764 nan 8.280 nan 0.000 0.524 705 G N 1.102 110.276 108.800 0.623 0.000 2.390 705 G HA2 0.205 4.165 3.960 -0.000 0.000 0.270 705 G HA3 0.205 4.165 3.960 -0.000 0.000 0.270 705 G C 1.158 176.328 174.900 0.450 0.000 1.211 705 G CA 0.149 45.548 45.100 0.499 0.000 0.842 705 G HN 0.737 nan 8.290 nan 0.000 0.519 706 T N -0.709 113.960 114.554 0.192 0.000 3.035 706 T HA 0.114 4.464 4.350 -0.000 0.000 0.268 706 T C 1.577 176.253 174.700 -0.040 0.000 1.109 706 T CA 1.191 63.210 62.100 -0.136 0.000 1.119 706 T CB 0.195 68.900 68.868 -0.271 0.000 0.900 706 T HN 0.701 nan 8.240 nan 0.000 0.503 707 A N 1.103 123.975 122.820 0.086 0.000 2.827 707 A HA 0.339 4.658 4.320 -0.000 0.000 0.300 707 A C 0.260 177.819 177.584 -0.042 0.000 1.237 707 A CA -0.549 51.510 52.037 0.037 0.000 0.964 707 A CB -0.243 19.035 19.000 0.464 0.000 1.143 707 A HN 0.371 nan 8.150 nan 0.000 0.554 708 D N 1.476 121.872 120.400 -0.007 0.000 2.338 708 D HA 0.014 4.653 4.640 -0.000 0.000 0.255 708 D C 0.307 176.599 176.300 -0.013 0.000 1.237 708 D CA 0.082 54.187 54.000 0.175 0.000 0.883 708 D CB 0.750 41.822 40.800 0.454 0.000 1.087 708 D HN 0.568 nan 8.370 nan 0.000 0.485 709 D N 2.082 122.521 120.400 0.064 0.000 2.350 709 D HA -0.084 4.556 4.640 -0.000 0.000 0.213 709 D C 0.945 177.268 176.300 0.038 0.000 1.031 709 D CA 0.013 53.989 54.000 -0.039 0.000 0.861 709 D CB 0.325 41.066 40.800 -0.099 0.000 0.926 709 D HN 0.447 nan 8.370 nan 0.000 0.520 710 N N 0.256 119.066 118.700 0.184 0.000 2.433 710 N HA -0.061 4.679 4.740 -0.000 0.000 0.213 710 N C 0.265 175.749 175.510 -0.044 0.000 1.032 710 N CA 0.124 53.329 53.050 0.259 0.000 1.047 710 N CB 0.840 39.470 38.487 0.240 0.000 1.293 710 N HN -0.041 nan 8.380 nan 0.000 0.524 711 V N 2.417 122.289 119.914 -0.070 0.000 2.334 711 V HA 0.295 4.415 4.120 -0.000 0.000 0.267 711 V C -1.116 175.035 176.094 0.094 0.000 1.040 711 V CA -0.611 61.671 62.300 -0.030 0.000 0.866 711 V CB -0.163 31.643 31.823 -0.028 0.000 1.019 711 V HN 0.320 nan 8.190 nan 0.000 0.468 712 H N 5.047 124.105 119.070 -0.021 0.000 2.815 712 H HA 0.098 4.654 4.556 -0.000 0.000 0.350 712 H C 0.550 175.729 175.328 -0.249 0.000 1.080 712 H CA 0.586 56.535 56.048 -0.165 0.000 1.433 712 H CB 0.750 30.327 29.762 -0.308 0.000 1.432 712 H HN 0.785 nan 8.280 nan 0.000 0.592 713 F N 2.125 121.839 119.950 -0.394 0.000 2.184 713 F HA -0.323 4.204 4.527 -0.000 0.000 0.301 713 F C 2.599 178.111 175.800 -0.480 0.000 1.076 713 F CA 1.854 59.391 58.000 -0.771 0.000 1.295 713 F CB -0.188 38.568 39.000 -0.407 0.000 1.026 713 F HN 0.677 nan 8.300 nan 0.000 0.494 714 Q N 0.219 119.889 119.800 -0.216 0.000 2.182 714 Q HA -0.340 4.000 4.340 -0.000 0.000 0.213 714 Q C 2.079 177.842 176.000 -0.395 0.000 1.000 714 Q CA 2.467 58.090 55.803 -0.301 0.000 0.889 714 Q CB -0.416 28.118 28.738 -0.341 0.000 0.932 714 Q HN 0.611 nan 8.270 nan 0.000 0.415 715 Q N -0.347 119.270 119.800 -0.306 0.000 2.096 715 Q HA -0.131 4.209 4.340 -0.000 0.000 0.204 715 Q C 2.252 178.158 176.000 -0.157 0.000 0.982 715 Q CA 1.801 57.538 55.803 -0.109 0.000 0.850 715 Q CB -0.110 28.646 28.738 0.030 0.000 0.901 715 Q HN 0.352 nan 8.270 nan 0.000 0.422 716 S N 0.613 116.123 115.700 -0.318 0.000 2.414 716 S HA 0.021 4.490 4.470 -0.000 0.000 0.227 716 S C 2.042 176.386 174.600 -0.426 0.000 1.022 716 S CA 0.644 58.649 58.200 -0.326 0.000 0.958 716 S CB -0.060 62.958 63.200 -0.304 0.000 0.797 716 S HN 0.461 nan 8.310 nan 0.000 0.493 717 A N 1.530 123.994 122.820 -0.593 0.000 1.940 717 A HA -0.148 4.172 4.320 -0.000 0.000 0.219 717 A C 2.136 179.608 177.584 -0.186 0.000 1.176 717 A CA 1.196 53.021 52.037 -0.355 0.000 0.631 717 A CB -0.419 18.445 19.000 -0.227 0.000 0.814 717 A HN 0.355 nan 8.150 nan 0.000 0.446 718 Q N -0.550 119.149 119.800 -0.168 0.000 2.172 718 Q HA 0.001 4.341 4.340 -0.000 0.000 0.200 718 Q C 2.120 178.060 176.000 -0.100 0.000 0.964 718 Q CA 1.008 56.766 55.803 -0.076 0.000 0.855 718 Q CB -0.324 28.441 28.738 0.044 0.000 0.918 718 Q HN 0.781 nan 8.270 nan 0.000 0.444 719 I N 1.209 121.692 120.570 -0.145 0.000 2.179 719 I HA -0.291 3.879 4.170 -0.000 0.000 0.242 719 I C 2.522 178.462 176.117 -0.295 0.000 1.088 719 I CA 1.485 62.651 61.300 -0.222 0.000 1.357 719 I CB -0.386 37.484 38.000 -0.216 0.000 1.051 719 I HN 0.177 nan 8.210 nan 0.000 0.409 720 S N 0.826 116.384 115.700 -0.237 0.000 2.368 720 S HA -0.280 4.189 4.470 -0.000 0.000 0.225 720 S C 2.014 176.574 174.600 -0.067 0.000 1.030 720 S CA 1.463 59.557 58.200 -0.177 0.000 0.999 720 S CB -0.470 62.790 63.200 0.101 0.000 0.844 720 S HN 0.376 nan 8.310 nan 0.000 0.459 721 K N 1.873 122.241 120.400 -0.054 0.000 2.057 721 K HA 0.007 4.327 4.320 -0.000 0.000 0.207 721 K C 2.277 178.851 176.600 -0.043 0.000 1.049 721 K CA 1.249 57.523 56.287 -0.022 0.000 0.931 721 K CB -0.705 31.780 32.500 -0.024 0.000 0.714 721 K HN 0.439 nan 8.250 nan 0.000 0.440 722 A N 0.920 123.683 122.820 -0.094 0.000 1.930 722 A HA -0.079 4.240 4.320 -0.000 0.000 0.217 722 A C 2.099 179.610 177.584 -0.122 0.000 1.175 722 A CA 1.204 53.181 52.037 -0.101 0.000 0.627 722 A CB -0.550 18.373 19.000 -0.128 0.000 0.815 722 A HN 0.324 nan 8.150 nan 0.000 0.443 723 L N -0.682 120.413 121.223 -0.213 0.000 2.056 723 L HA -0.143 4.197 4.340 -0.000 0.000 0.207 723 L C 2.525 179.400 176.870 0.008 0.000 1.078 723 L CA 0.947 55.664 54.840 -0.205 0.000 0.749 723 L CB -0.564 41.174 42.059 -0.535 0.000 0.901 723 L HN 0.240 nan 8.230 nan 0.000 0.433 724 V N -0.097 119.859 119.914 0.070 0.000 2.295 724 V HA -0.299 3.821 4.120 -0.000 0.000 0.246 724 V C 2.074 178.205 176.094 0.061 0.000 1.049 724 V CA 1.932 64.304 62.300 0.120 0.000 1.024 724 V CB -0.492 31.404 31.823 0.122 0.000 0.648 724 V HN 0.436 nan 8.190 nan 0.000 0.447 725 D N 0.242 120.658 120.400 0.027 0.000 2.182 725 D HA -0.117 4.523 4.640 -0.000 0.000 0.201 725 D C 1.806 178.117 176.300 0.020 0.000 0.986 725 D CA 1.744 55.754 54.000 0.017 0.000 0.847 725 D CB -0.142 40.660 40.800 0.002 0.000 0.942 725 D HN 0.560 nan 8.370 nan 0.000 0.467 726 V N -3.621 116.304 119.914 0.018 0.000 3.596 726 V HA 0.480 4.600 4.120 -0.000 0.000 0.289 726 V C 1.255 177.378 176.094 0.048 0.000 1.336 726 V CA 0.359 62.675 62.300 0.027 0.000 1.137 726 V CB -0.118 31.717 31.823 0.020 0.000 0.966 726 V HN 0.156 nan 8.190 nan 0.000 0.428 727 G N 0.620 109.457 108.800 0.062 0.000 2.225 727 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.264 727 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.264 727 G C 0.036 175.001 174.900 0.109 0.000 1.060 727 G CA 0.468 45.617 45.100 0.080 0.000 0.833 727 G HN 1.738 nan 8.290 nan 0.000 0.498 728 V N -0.841 119.157 119.914 0.140 0.000 2.439 728 V HA 0.723 4.843 4.120 -0.000 0.000 0.282 728 V C 0.144 176.425 176.094 0.311 0.000 1.039 728 V CA -0.470 61.947 62.300 0.195 0.000 0.913 728 V CB 1.790 33.726 31.823 0.188 0.000 0.983 728 V HN 0.329 nan 8.190 nan 0.000 0.460 729 D N 5.203 125.766 120.400 0.271 0.000 2.255 729 D HA 0.615 5.255 4.640 -0.000 0.000 0.249 729 D C -0.514 176.029 176.300 0.405 0.000 1.078 729 D CA 0.077 54.233 54.000 0.259 0.000 0.896 729 D CB 0.939 41.819 40.800 0.133 0.000 1.194 729 D HN 0.649 nan 8.370 nan 0.000 0.429 730 F N 0.020 120.056 119.950 0.142 0.000 2.745 730 F HA 0.514 5.041 4.527 -0.000 0.000 0.316 730 F C -1.374 174.489 175.800 0.106 0.000 1.155 730 F CA -1.142 56.966 58.000 0.180 0.000 0.937 730 F CB 0.948 40.092 39.000 0.241 0.000 1.361 730 F HN 0.070 nan 8.300 nan 0.000 0.472 731 Q N 1.303 121.159 119.800 0.092 0.000 2.266 731 Q HA 0.813 5.153 4.340 -0.000 0.000 0.261 731 Q C -0.924 175.050 176.000 -0.044 0.000 0.985 731 Q CA -0.895 54.873 55.803 -0.057 0.000 0.873 731 Q CB 2.191 30.963 28.738 0.057 0.000 1.306 731 Q HN 1.023 nan 8.270 nan 0.000 0.447 732 A N 1.598 124.362 122.820 -0.093 0.000 2.566 732 A HA 0.873 5.193 4.320 -0.000 0.000 0.292 732 A C -1.373 176.141 177.584 -0.116 0.000 1.112 732 A CA -0.573 51.445 52.037 -0.031 0.000 0.707 732 A CB 1.990 21.029 19.000 0.065 0.000 1.302 732 A HN 0.623 nan 8.150 nan 0.000 0.409 733 M N 1.158 120.677 119.600 -0.135 0.000 2.298 733 M HA 0.521 5.001 4.480 -0.000 0.000 0.255 733 M C -1.926 174.230 176.300 -0.239 0.000 1.021 733 M CA -0.442 54.627 55.300 -0.386 0.000 0.968 733 M CB 0.928 33.184 32.600 -0.573 0.000 2.037 733 M HN 0.967 nan 8.290 nan 0.000 0.478 734 W N 4.284 125.442 121.300 -0.236 0.000 2.375 734 W HA 0.749 5.409 4.660 0.000 0.000 0.336 734 W C -1.863 174.407 176.519 -0.415 0.000 1.160 734 W CA -0.658 56.627 57.345 -0.099 0.000 1.266 734 W CB 0.285 29.721 29.460 -0.039 0.000 1.195 734 W HN 0.614 nan 8.180 nan 0.000 0.599 735 Y N 2.390 122.795 120.300 0.175 0.000 2.464 735 Y HA 0.271 4.820 4.550 -0.000 0.000 0.326 735 Y C 0.515 176.513 175.900 0.164 0.000 0.969 735 Y CA -1.139 56.985 58.100 0.040 0.000 1.270 735 Y CB 1.068 39.533 38.460 0.010 0.000 1.103 735 Y HN 0.429 nan 8.280 nan 0.000 0.491 736 T N 4.789 119.511 114.554 0.280 0.000 2.822 736 T HA -0.055 4.295 4.350 -0.000 0.000 0.288 736 T C 0.226 174.992 174.700 0.109 0.000 0.991 736 T CA 0.920 63.133 62.100 0.189 0.000 1.176 736 T CB -0.214 68.713 68.868 0.099 0.000 0.951 736 T HN 0.709 nan 8.240 nan 0.000 0.526 737 D N 0.865 121.302 120.400 0.061 0.000 3.046 737 D HA -0.123 4.517 4.640 -0.000 0.000 0.210 737 D C 0.307 176.711 176.300 0.172 0.000 1.124 737 D CA 1.135 55.098 54.000 -0.061 0.000 0.986 737 D CB -0.374 40.186 40.800 -0.400 0.000 1.118 737 D HN 0.561 nan 8.370 nan 0.000 0.416 738 E N 0.929 121.261 120.200 0.220 0.000 2.313 738 E HA 0.335 4.685 4.350 -0.000 0.000 0.272 738 E C 0.748 177.528 176.600 0.300 0.000 1.038 738 E CA -0.241 56.313 56.400 0.256 0.000 0.863 738 E CB 1.174 31.017 29.700 0.239 0.000 1.060 738 E HN 0.357 nan 8.360 nan 0.000 0.402 739 D N -0.473 120.119 120.400 0.320 0.000 2.541 739 D HA 0.002 4.642 4.640 -0.000 0.000 0.276 739 D C 1.063 177.604 176.300 0.402 0.000 1.190 739 D CA -0.193 54.024 54.000 0.361 0.000 1.095 739 D CB -0.167 40.871 40.800 0.397 0.000 1.173 739 D HN 0.396 nan 8.370 nan 0.000 0.604 740 H N -1.525 117.743 119.070 0.330 0.000 2.456 740 H HA 0.085 4.641 4.556 -0.000 0.000 0.296 740 H C 1.924 177.535 175.328 0.472 0.000 1.079 740 H CA 2.156 58.428 56.048 0.373 0.000 1.322 740 H CB -0.407 29.561 29.762 0.343 0.000 1.388 740 H HN 0.500 nan 8.280 nan 0.000 0.538 741 G N -0.128 108.875 108.800 0.338 0.000 2.551 741 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.216 741 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.216 741 G C 0.706 175.806 174.900 0.334 0.000 1.137 741 G CA 0.333 45.562 45.100 0.215 0.000 0.798 741 G HN 0.532 nan 8.290 nan 0.000 0.536 742 I N 0.132 120.908 120.570 0.343 0.000 5.158 742 I HA -0.331 3.839 4.170 -0.000 0.000 0.126 742 I C 1.633 177.881 176.117 0.219 0.000 1.344 742 I CA 0.165 61.611 61.300 0.242 0.000 2.637 742 I CB -1.310 36.811 38.000 0.202 0.000 2.338 742 I HN 0.273 nan 8.210 nan 0.000 0.320 743 A N 0.353 123.281 122.820 0.181 0.000 2.308 743 A HA 0.242 4.562 4.320 -0.000 0.000 0.217 743 A C 1.186 178.825 177.584 0.092 0.000 1.216 743 A CA 0.209 52.321 52.037 0.125 0.000 0.864 743 A CB 0.177 19.227 19.000 0.084 0.000 0.902 743 A HN 0.436 nan 8.150 nan 0.000 0.499 744 S N 0.177 115.942 115.700 0.107 0.000 2.558 744 S HA 0.108 4.577 4.470 -0.000 0.000 0.288 744 S C 1.564 176.216 174.600 0.086 0.000 1.318 744 S CA 0.425 58.678 58.200 0.088 0.000 1.056 744 S CB 1.217 64.473 63.200 0.094 0.000 0.853 744 S HN 0.577 nan 8.310 nan 0.000 0.505 745 S N 2.552 118.286 115.700 0.056 0.000 2.359 745 S HA -0.200 4.270 4.470 -0.000 0.000 0.223 745 S C 2.270 176.925 174.600 0.092 0.000 1.039 745 S CA 2.338 60.569 58.200 0.052 0.000 1.042 745 S CB -0.865 62.349 63.200 0.022 0.000 0.915 745 S HN 0.959 nan 8.310 nan 0.000 0.439 746 T N -0.139 114.460 114.554 0.075 0.000 2.777 746 T HA 0.133 4.483 4.350 -0.000 0.000 0.266 746 T C 1.995 176.749 174.700 0.089 0.000 1.040 746 T CA 1.436 63.584 62.100 0.080 0.000 1.141 746 T CB -1.037 67.868 68.868 0.063 0.000 0.868 746 T HN 0.479 nan 8.240 nan 0.000 0.444 747 A N 1.572 124.423 122.820 0.052 0.000 1.902 747 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 747 A C 2.219 179.745 177.584 -0.096 0.000 1.181 747 A CA 2.174 54.166 52.037 -0.075 0.000 0.623 747 A CB -1.343 17.587 19.000 -0.116 0.000 0.818 747 A HN 0.813 nan 8.150 nan 0.000 0.443 748 H N -0.311 118.736 119.070 -0.039 0.000 2.319 748 H HA -0.144 4.412 4.556 -0.000 0.000 0.299 748 H C 2.123 177.509 175.328 0.097 0.000 1.092 748 H CA 2.320 58.399 56.048 0.052 0.000 1.302 748 H CB -0.181 29.615 29.762 0.056 0.000 1.373 748 H HN 0.589 nan 8.280 nan 0.000 0.497 749 Q N -0.936 118.888 119.800 0.039 0.000 2.079 749 Q HA -0.183 4.157 4.340 -0.000 0.000 0.200 749 Q C 2.227 178.223 176.000 -0.006 0.000 0.974 749 Q CA 1.294 57.083 55.803 -0.024 0.000 0.840 749 Q CB -0.196 28.565 28.738 0.038 0.000 0.898 749 Q HN 0.635 nan 8.270 nan 0.000 0.430 750 H N 0.792 119.840 119.070 -0.037 0.000 2.353 750 H HA -0.087 4.469 4.556 -0.000 0.000 0.300 750 H C 2.003 177.333 175.328 0.003 0.000 1.090 750 H CA 1.327 57.387 56.048 0.019 0.000 1.327 750 H CB -0.012 29.810 29.762 0.101 0.000 1.383 750 H HN 0.283 nan 8.280 nan 0.000 0.508 751 I N 0.048 120.602 120.570 -0.026 0.000 2.202 751 I HA -0.317 3.853 4.170 -0.000 0.000 0.242 751 I C 1.822 177.727 176.117 -0.353 0.000 1.091 751 I CA 1.207 62.404 61.300 -0.172 0.000 1.368 751 I CB -0.291 37.431 38.000 -0.464 0.000 1.058 751 I HN 0.149 nan 8.210 nan 0.000 0.410 752 Y N 0.826 120.906 120.300 -0.367 0.000 2.293 752 Y HA -0.228 4.321 4.550 -0.000 0.000 0.291 752 Y C 2.693 178.399 175.900 -0.324 0.000 1.137 752 Y CA 1.886 59.659 58.100 -0.545 0.000 1.202 752 Y CB -0.711 37.425 38.460 -0.541 0.000 0.990 752 Y HN 0.164 nan 8.280 nan 0.000 0.537 753 T N -1.646 112.849 114.554 -0.098 0.000 2.737 753 T HA -0.239 4.110 4.350 -0.000 0.000 0.265 753 T C 1.528 176.172 174.700 -0.093 0.000 1.038 753 T CA 1.885 63.909 62.100 -0.127 0.000 1.144 753 T CB -0.466 68.320 68.868 -0.136 0.000 0.866 753 T HN 0.421 nan 8.240 nan 0.000 0.434 754 H N 0.810 119.785 119.070 -0.159 0.000 2.321 754 H HA 0.096 4.652 4.556 -0.000 0.000 0.300 754 H C 2.209 177.538 175.328 0.002 0.000 1.087 754 H CA 1.589 57.608 56.048 -0.049 0.000 1.319 754 H CB -0.237 29.474 29.762 -0.085 0.000 1.379 754 H HN 0.242 nan 8.280 nan 0.000 0.501 755 M N -0.771 118.797 119.600 -0.053 0.000 2.159 755 M HA -0.171 4.309 4.480 -0.000 0.000 0.263 755 M C 2.393 178.821 176.300 0.214 0.000 1.063 755 M CA 1.461 56.714 55.300 -0.078 0.000 1.110 755 M CB -0.006 32.267 32.600 -0.545 0.000 1.374 755 M HN 0.215 nan 8.290 nan 0.000 0.411 756 S N -0.557 115.290 115.700 0.246 0.000 2.356 756 S HA -0.176 4.294 4.470 -0.000 0.000 0.223 756 S C 1.591 176.291 174.600 0.167 0.000 1.032 756 S CA 1.347 59.779 58.200 0.387 0.000 1.005 756 S CB -0.601 62.794 63.200 0.326 0.000 0.867 756 S HN 0.557 nan 8.310 nan 0.000 0.449 757 H N -0.551 118.581 119.070 0.103 0.000 2.353 757 H HA -0.072 4.484 4.556 -0.000 0.000 0.300 757 H C 1.928 177.258 175.328 0.003 0.000 1.090 757 H CA 1.716 57.775 56.048 0.017 0.000 1.327 757 H CB -0.207 29.509 29.762 -0.076 0.000 1.383 757 H HN 0.379 nan 8.280 nan 0.000 0.508 758 F N 1.047 120.989 119.950 -0.013 0.000 2.102 758 F HA -0.229 4.298 4.527 0.000 0.000 0.298 758 F C 2.063 177.825 175.800 -0.064 0.000 1.105 758 F CA 1.114 59.078 58.000 -0.059 0.000 1.239 758 F CB -0.244 38.710 39.000 -0.077 0.000 0.991 758 F HN 0.052 nan 8.300 nan 0.000 0.474 759 I N 0.825 121.422 120.570 0.045 0.000 2.163 759 I HA -0.296 3.874 4.170 -0.000 0.000 0.243 759 I C 2.264 178.182 176.117 -0.331 0.000 1.085 759 I CA 1.578 62.729 61.300 -0.247 0.000 1.347 759 I CB -1.285 36.660 38.000 -0.092 0.000 1.044 759 I HN 0.248 nan 8.210 nan 0.000 0.408 760 K N 0.576 120.925 120.400 -0.086 0.000 2.026 760 K HA -0.253 4.067 4.320 -0.000 0.000 0.208 760 K C 2.036 178.617 176.600 -0.031 0.000 1.048 760 K CA 1.783 58.067 56.287 -0.004 0.000 0.929 760 K CB -0.333 32.215 32.500 0.080 0.000 0.713 760 K HN 0.410 nan 8.250 nan 0.000 0.439 761 Q N 1.351 121.100 119.800 -0.084 0.000 2.050 761 Q HA -0.198 4.141 4.340 -0.000 0.000 0.202 761 Q C 2.280 178.194 176.000 -0.144 0.000 0.980 761 Q CA 2.099 57.842 55.803 -0.099 0.000 0.840 761 Q CB -0.941 27.731 28.738 -0.110 0.000 0.898 761 Q HN 0.367 nan 8.270 nan 0.000 0.424 762 c N -0.335 118.072 118.600 -0.323 0.000 2.413 762 c HA -0.049 4.521 4.570 -0.000 0.000 0.277 762 c C 1.856 175.973 174.090 0.044 0.000 1.265 762 c CA 0.506 56.667 56.329 -0.281 0.000 1.752 762 c CB -1.335 40.831 42.510 -0.574 0.000 1.998 762 c HN 0.653 nan 8.230 nan 0.000 0.489 763 F N 1.581 121.489 119.950 -0.070 0.000 2.765 763 F HA 0.267 4.794 4.527 -0.000 0.000 0.302 763 F C 1.640 177.426 175.800 -0.024 0.000 1.111 763 F CA 0.385 58.367 58.000 -0.029 0.000 1.359 763 F CB -1.237 37.755 39.000 -0.013 0.000 1.097 763 F HN 0.262 nan 8.300 nan 0.000 0.577 764 S N 0.984 116.768 115.700 0.139 0.000 3.706 764 S HA -0.192 4.278 4.470 -0.000 0.000 0.363 764 S C -0.076 174.570 174.600 0.077 0.000 0.999 764 S CA 0.078 58.324 58.200 0.076 0.000 1.143 764 S CB -2.002 61.231 63.200 0.056 0.000 0.902 764 S HN 0.222 nan 8.310 nan 0.000 0.476 765 L N 2.130 123.408 121.223 0.091 0.000 2.295 765 L HA 0.516 4.856 4.340 -0.000 0.000 0.285 765 L C -0.965 175.947 176.870 0.069 0.000 1.035 765 L CA -1.819 53.070 54.840 0.081 0.000 0.806 765 L CB 0.742 42.861 42.059 0.100 0.000 1.214 765 L HN 0.108 nan 8.230 nan 0.000 0.426 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.135 63.100 0.058 0.000 0.800 766 P CB 0.000 31.727 31.700 0.045 0.000 0.726