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 2onc_1_A DATA FIRST_RESID 40 DATA SEQUENCE AKTYTLTDYL KNTYRLKLYS LRWISDHEYL YKXXXNILVF 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 A HA 0.000 nan 4.320 nan 0.000 0.244 40 A C 0.000 177.639 177.584 0.091 0.000 1.274 40 A CA 0.000 52.089 52.037 0.087 0.000 0.836 40 A CB 0.000 19.039 19.000 0.065 0.000 0.831 41 K N 0.987 121.444 120.400 0.096 0.000 2.118 41 K HA 0.698 5.018 4.320 0.000 0.000 0.254 41 K C 0.030 176.701 176.600 0.119 0.000 0.961 41 K CA 0.199 56.549 56.287 0.105 0.000 0.876 41 K CB 1.367 33.932 32.500 0.109 0.000 1.077 41 K HN 0.196 nan 8.250 nan 0.000 0.440 42 T N -1.502 113.131 114.554 0.132 0.000 2.936 42 T HA 0.179 4.529 4.350 0.000 0.000 0.282 42 T C -0.644 174.184 174.700 0.213 0.000 1.003 42 T CA -0.767 61.426 62.100 0.156 0.000 1.005 42 T CB 0.557 69.514 68.868 0.149 0.000 1.097 42 T HN 0.566 nan 8.240 nan 0.000 0.532 43 Y N 2.683 123.047 120.300 0.107 0.000 2.584 43 Y HA 0.358 4.908 4.550 -0.000 0.000 0.351 43 Y C 0.882 176.939 175.900 0.260 0.000 1.030 43 Y CA -0.320 57.877 58.100 0.162 0.000 1.332 43 Y CB -0.188 38.318 38.460 0.077 0.000 1.148 43 Y HN 0.991 nan 8.280 nan 0.000 0.528 44 T N 2.755 117.327 114.554 0.029 0.000 2.881 44 T HA 0.138 4.488 4.350 0.000 0.000 0.278 44 T C 0.952 175.592 174.700 -0.100 0.000 0.982 44 T CA -0.746 61.419 62.100 0.108 0.000 0.989 44 T CB 1.300 70.188 68.868 0.034 0.000 1.058 44 T HN 0.697 nan 8.240 nan 0.000 0.529 45 L N 0.948 121.906 121.223 -0.441 0.000 2.046 45 L HA -0.000 4.340 4.340 0.000 0.000 0.208 45 L C 2.519 179.258 176.870 -0.218 0.000 1.077 45 L CA 2.117 56.573 54.840 -0.639 0.000 0.747 45 L CB -1.608 39.889 42.059 -0.938 0.000 0.896 45 L HN 0.934 nan 8.230 nan 0.000 0.432 46 T N -0.342 114.104 114.554 -0.179 0.000 2.720 46 T HA -0.185 4.165 4.350 0.000 0.000 0.268 46 T C 1.523 176.144 174.700 -0.131 0.000 1.037 46 T CA 1.545 63.572 62.100 -0.122 0.000 1.144 46 T CB -0.446 68.371 68.868 -0.085 0.000 0.864 46 T HN 0.419 nan 8.240 nan 0.000 0.444 47 D N 0.123 120.413 120.400 -0.184 0.000 2.116 47 D HA -0.118 4.522 4.640 0.000 0.000 0.193 47 D C 1.767 177.968 176.300 -0.165 0.000 0.998 47 D CA 1.172 55.019 54.000 -0.255 0.000 0.836 47 D CB -0.410 40.104 40.800 -0.477 0.000 0.951 47 D HN 0.442 nan 8.370 nan 0.000 0.449 48 Y N 1.346 121.491 120.300 -0.258 0.000 2.200 48 Y HA -0.092 4.458 4.550 -0.000 0.000 0.290 48 Y C 2.169 178.092 175.900 0.039 0.000 1.137 48 Y CA 1.155 59.281 58.100 0.043 0.000 1.163 48 Y CB -0.564 38.002 38.460 0.177 0.000 0.988 48 Y HN -0.080 nan 8.280 nan 0.000 0.518 49 L N -0.329 120.743 121.223 -0.252 0.000 2.156 49 L HA -0.117 4.223 4.340 0.000 0.000 0.208 49 L C 1.646 178.418 176.870 -0.165 0.000 1.095 49 L CA 1.409 56.065 54.840 -0.308 0.000 0.770 49 L CB -0.286 41.660 42.059 -0.189 0.000 0.914 49 L HN 0.008 nan 8.230 nan 0.000 0.439 50 K N -0.280 120.050 120.400 -0.117 0.000 2.372 50 K HA 0.146 4.466 4.320 0.000 0.000 0.200 50 K C -0.267 176.292 176.600 -0.068 0.000 1.022 50 K CA -0.117 56.120 56.287 -0.083 0.000 1.125 50 K CB 0.256 32.710 32.500 -0.077 0.000 0.855 50 K HN 0.110 nan 8.250 nan 0.000 0.524 51 N N 0.949 119.623 118.700 -0.043 0.000 2.667 51 N HA -0.189 4.551 4.740 0.000 0.000 0.263 51 N C -0.093 175.396 175.510 -0.035 0.000 1.038 51 N CA 1.105 54.167 53.050 0.020 0.000 0.749 51 N CB -1.467 37.036 38.487 0.026 0.000 0.892 51 N HN 0.213 nan 8.380 nan 0.000 0.546 52 T N -1.494 112.984 114.554 -0.127 0.000 2.821 52 T HA -0.140 4.210 4.350 0.000 0.000 0.267 52 T C 0.567 175.021 174.700 -0.410 0.000 1.046 52 T CA 1.223 63.112 62.100 -0.353 0.000 1.139 52 T CB -0.088 68.408 68.868 -0.620 0.000 0.871 52 T HN 0.431 nan 8.240 nan 0.000 0.454 53 Y N 2.449 122.824 120.300 0.125 0.000 2.717 53 Y HA 0.417 4.967 4.550 -0.000 0.000 0.329 53 Y C 0.361 176.365 175.900 0.174 0.000 1.017 53 Y CA -1.234 56.969 58.100 0.172 0.000 1.275 53 Y CB 0.041 38.662 38.460 0.268 0.000 1.109 53 Y HN -0.092 nan 8.280 nan 0.000 0.511 54 R N 2.947 123.574 120.500 0.212 0.000 2.298 54 R HA 0.352 4.692 4.340 0.000 0.000 0.310 54 R C -0.709 175.703 176.300 0.186 0.000 1.068 54 R CA -0.589 55.611 56.100 0.167 0.000 0.957 54 R CB 0.994 31.351 30.300 0.095 0.000 1.003 54 R HN 0.579 nan 8.270 nan 0.000 0.454 55 L N 3.544 124.882 121.223 0.192 0.000 2.369 55 L HA 0.145 4.485 4.340 0.000 0.000 0.279 55 L C 0.439 177.391 176.870 0.138 0.000 1.108 55 L CA -0.312 54.644 54.840 0.192 0.000 0.852 55 L CB 0.472 42.666 42.059 0.225 0.000 1.169 55 L HN 0.355 nan 8.230 nan 0.000 0.452 56 K N 2.961 123.432 120.400 0.118 0.000 2.249 56 K HA 0.422 4.742 4.320 0.000 0.000 0.280 56 K C -0.603 176.008 176.600 0.018 0.000 1.033 56 K CA -0.297 56.030 56.287 0.066 0.000 0.946 56 K CB 0.704 33.241 32.500 0.062 0.000 1.005 56 K HN 0.232 nan 8.250 nan 0.000 0.469 57 L N 3.282 124.462 121.223 -0.072 0.000 2.397 57 L HA 0.458 4.798 4.340 0.000 0.000 0.266 57 L C -0.957 175.636 176.870 -0.462 0.000 1.040 57 L CA -0.454 54.212 54.840 -0.290 0.000 0.800 57 L CB 0.497 42.496 42.059 -0.100 0.000 1.324 57 L HN 0.601 nan 8.230 nan 0.000 0.469 58 Y N -0.025 119.717 120.300 -0.930 0.000 2.484 58 Y HA 0.408 4.958 4.550 -0.000 0.000 0.348 58 Y C -0.703 175.064 175.900 -0.222 0.000 1.103 58 Y CA -0.447 57.351 58.100 -0.504 0.000 1.317 58 Y CB 1.101 39.180 38.460 -0.635 0.000 1.096 58 Y HN 0.487 nan 8.280 nan 0.000 0.568 59 S N 6.010 121.651 115.700 -0.098 0.000 2.452 59 S HA 0.624 5.094 4.470 0.000 0.000 0.284 59 S C -0.780 173.809 174.600 -0.019 0.000 1.171 59 S CA -0.572 57.617 58.200 -0.017 0.000 1.064 59 S CB 0.258 63.447 63.200 -0.020 0.000 0.967 59 S HN 0.554 nan 8.310 nan 0.000 0.484 60 L N 1.309 122.489 121.223 -0.071 0.000 2.323 60 L HA 0.786 5.126 4.340 0.000 0.000 0.265 60 L C -0.448 176.346 176.870 -0.126 0.000 1.012 60 L CA -0.953 53.785 54.840 -0.170 0.000 0.820 60 L CB 1.080 42.730 42.059 -0.683 0.000 1.334 60 L HN 0.416 nan 8.230 nan 0.000 0.427 61 R N 1.197 121.670 120.500 -0.045 0.000 2.422 61 R HA 0.374 4.714 4.340 0.000 0.000 0.307 61 R C -1.647 174.716 176.300 0.105 0.000 1.004 61 R CA -0.397 55.735 56.100 0.053 0.000 0.882 61 R CB 0.920 31.285 30.300 0.108 0.000 1.164 61 R HN 0.671 nan 8.270 nan 0.000 0.489 62 W N 2.825 124.240 121.300 0.192 0.000 2.193 62 W HA 0.021 4.681 4.660 0.000 0.000 0.338 62 W C 1.305 177.919 176.519 0.159 0.000 1.310 62 W CA -0.058 57.417 57.345 0.216 0.000 1.243 62 W CB 0.313 29.888 29.460 0.191 0.000 1.165 62 W HN 0.566 nan 8.180 nan 0.000 0.566 63 I N 1.258 122.065 120.570 0.395 0.000 4.471 63 I HA 0.083 4.253 4.170 0.000 0.000 0.326 63 I C 0.814 177.037 176.117 0.175 0.000 1.300 63 I CA 0.586 62.013 61.300 0.212 0.000 1.237 63 I CB -0.210 37.843 38.000 0.088 0.000 1.195 63 I HN 0.301 nan 8.210 nan 0.000 0.427 64 S N -1.529 114.307 115.700 0.226 0.000 3.132 64 S HA 0.379 4.849 4.470 0.000 0.000 0.322 64 S C 0.355 174.998 174.600 0.071 0.000 1.124 64 S CA -0.039 58.215 58.200 0.088 0.000 0.906 64 S CB 0.723 63.922 63.200 -0.001 0.000 1.349 64 S HN -0.001 nan 8.310 nan 0.000 0.686 65 D N -0.408 119.908 120.400 -0.140 0.000 2.350 65 D HA 0.162 4.802 4.640 0.000 0.000 0.213 65 D C 0.754 177.106 176.300 0.086 0.000 1.031 65 D CA 0.788 54.715 54.000 -0.121 0.000 0.861 65 D CB -0.020 40.682 40.800 -0.163 0.000 0.926 65 D HN 0.718 nan 8.370 nan 0.000 0.520 66 H N -2.825 116.463 119.070 0.363 0.000 3.650 66 H HA 0.476 5.032 4.556 -0.000 0.000 0.260 66 H C -0.474 175.059 175.328 0.342 0.000 1.194 66 H CA -0.549 55.765 56.048 0.444 0.000 1.135 66 H CB -0.420 29.557 29.762 0.359 0.000 1.612 66 H HN -0.076 nan 8.280 nan 0.000 0.703 67 E N 0.751 121.281 120.200 0.551 0.000 2.312 67 E HA 0.517 4.867 4.350 0.000 0.000 0.267 67 E C -1.452 175.370 176.600 0.369 0.000 0.894 67 E CA -1.411 55.182 56.400 0.320 0.000 0.773 67 E CB 2.697 32.535 29.700 0.230 0.000 1.241 67 E HN 0.297 nan 8.360 nan 0.000 0.432 68 Y N -0.981 119.378 120.300 0.099 0.000 2.609 68 Y HA 0.584 5.134 4.550 0.000 0.000 0.336 68 Y C -1.864 174.048 175.900 0.021 0.000 1.129 68 Y CA -1.342 56.721 58.100 -0.061 0.000 1.040 68 Y CB 0.533 38.643 38.460 -0.583 0.000 1.310 68 Y HN 0.381 nan 8.280 nan 0.000 0.460 69 L N 2.405 123.798 121.223 0.284 0.000 2.416 69 L HA 0.593 4.933 4.340 0.000 0.000 0.262 69 L C -1.222 175.909 176.870 0.435 0.000 1.093 69 L CA -1.013 53.984 54.840 0.261 0.000 0.801 69 L CB 1.365 43.528 42.059 0.174 0.000 1.191 69 L HN 0.771 nan 8.230 nan 0.000 0.459 70 Y N 1.097 121.533 120.300 0.227 0.000 2.333 70 Y HA 0.303 4.853 4.550 0.000 0.000 0.319 70 Y C -0.544 175.417 175.900 0.101 0.000 1.200 70 Y CA -1.041 57.142 58.100 0.138 0.000 1.084 70 Y CB 1.160 39.713 38.460 0.156 0.000 1.268 70 Y HN 0.467 nan 8.280 nan 0.000 0.422 76 I N 2.994 123.515 120.570 -0.081 0.000 2.495 76 I HA 0.325 4.495 4.170 0.000 0.000 0.277 76 I C -0.236 175.883 176.117 0.004 0.000 1.045 76 I CA -0.562 60.686 61.300 -0.087 0.000 1.135 76 I CB 1.023 38.881 38.000 -0.236 0.000 1.241 76 I HN 0.269 nan 8.210 nan 0.000 0.469 77 L N 4.625 125.874 121.223 0.044 0.000 2.334 77 L HA 0.854 5.194 4.340 0.000 0.000 0.272 77 L C -0.254 176.614 176.870 -0.003 0.000 1.020 77 L CA -0.997 53.842 54.840 -0.002 0.000 0.812 77 L CB 1.382 43.375 42.059 -0.110 0.000 1.264 77 L HN 0.073 nan 8.230 nan 0.000 0.439 78 V N 0.679 120.533 119.914 -0.100 0.000 2.904 78 V HA 0.475 4.595 4.120 0.000 0.000 0.305 78 V C -0.353 175.546 176.094 -0.325 0.000 1.067 78 V CA -0.088 62.134 62.300 -0.129 0.000 1.044 78 V CB 1.231 32.984 31.823 -0.117 0.000 1.050 78 V HN 0.589 nan 8.190 nan 0.000 0.475 79 F N 0.623 120.382 119.950 -0.317 0.000 2.613 79 F HA 0.452 4.979 4.527 -0.000 0.000 0.314 79 F C 0.020 175.532 175.800 -0.480 0.000 1.075 79 F CA -0.623 57.095 58.000 -0.471 0.000 0.945 79 F CB 2.109 40.586 39.000 -0.872 0.000 1.310 79 F HN 0.449 nan 8.300 nan 0.000 0.467 80 N N 0.409 119.045 118.700 -0.106 0.000 2.372 80 N HA 0.548 5.288 4.740 0.000 0.000 0.291 80 N C 0.214 175.630 175.510 -0.155 0.000 1.024 80 N CA -0.118 52.877 53.050 -0.092 0.000 0.873 80 N CB 1.806 40.310 38.487 0.028 0.000 1.206 80 N HN 0.723 nan 8.380 nan 0.000 0.486 81 A N 2.403 125.120 122.820 -0.171 0.000 1.968 81 A HA -0.108 4.212 4.320 0.000 0.000 0.217 81 A C 1.864 179.129 177.584 -0.532 0.000 1.169 81 A CA 1.190 53.055 52.037 -0.287 0.000 0.638 81 A CB -0.385 18.398 19.000 -0.360 0.000 0.812 81 A HN 0.808 nan 8.150 nan 0.000 0.446 82 E N -0.738 119.111 120.200 -0.585 0.000 2.001 82 E HA -0.140 4.210 4.350 0.000 0.000 0.193 82 E C 1.580 177.847 176.600 -0.555 0.000 0.994 82 E CA 2.161 58.145 56.400 -0.693 0.000 0.815 82 E CB -0.307 28.756 29.700 -1.063 0.000 0.770 82 E HN 0.742 nan 8.360 nan 0.000 0.453 83 Y N -3.078 117.174 120.300 -0.079 0.000 2.506 83 Y HA 0.456 5.006 4.550 -0.000 0.000 0.287 83 Y C 1.643 177.521 175.900 -0.038 0.000 1.147 83 Y CA 0.100 58.168 58.100 -0.053 0.000 1.241 83 Y CB 0.222 38.655 38.460 -0.046 0.000 1.279 83 Y HN 0.176 nan 8.280 nan 0.000 0.527 84 G N 0.545 109.436 108.800 0.151 0.000 2.159 84 G HA2 -0.270 3.690 3.960 0.000 0.000 0.170 84 G HA3 -0.270 3.690 3.960 0.000 0.000 0.170 84 G C 0.262 175.209 174.900 0.079 0.000 1.007 84 G CA 0.105 45.286 45.100 0.136 0.000 0.672 84 G HN 0.446 nan 8.290 nan 0.000 0.507 85 N N 1.411 120.167 118.700 0.094 0.000 2.273 85 N HA 0.512 5.252 4.740 0.000 0.000 0.259 85 N C 1.533 176.999 175.510 -0.073 0.000 1.320 85 N CA 2.053 55.101 53.050 -0.004 0.000 0.931 85 N CB -0.912 37.555 38.487 -0.033 0.000 1.075 85 N HN 1.796 nan 8.380 nan 0.000 0.433 86 S N -1.952 113.712 115.700 -0.060 0.000 3.469 86 S HA -0.247 4.223 4.470 0.000 0.000 0.628 86 S C 0.583 175.119 174.600 -0.107 0.000 2.687 86 S CA 2.446 60.604 58.200 -0.069 0.000 3.829 86 S CB -2.137 61.029 63.200 -0.056 0.000 0.258 86 S HN 1.764 nan 8.310 nan 0.000 1.222 87 S N -1.122 114.508 115.700 -0.116 0.000 5.515 87 S HA 0.604 5.074 4.470 0.000 0.000 0.145 87 S C -0.208 174.318 174.600 -0.124 0.000 1.350 87 S CA 0.040 58.162 58.200 -0.129 0.000 1.034 87 S CB 0.148 63.299 63.200 -0.082 0.000 2.011 87 S HN 1.866 nan 8.310 nan 0.000 0.655 88 V N 1.771 121.653 119.914 -0.054 0.000 2.815 88 V HA 0.641 4.761 4.120 0.000 0.000 0.314 88 V C -0.111 176.034 176.094 0.085 0.000 1.064 88 V CA -0.540 61.751 62.300 -0.016 0.000 0.952 88 V CB 1.589 33.386 31.823 -0.044 0.000 1.020 88 V HN 0.711 nan 8.190 nan 0.000 0.439 89 F N 1.417 121.313 119.950 -0.090 0.000 2.557 89 F HA 0.480 5.007 4.527 -0.000 0.000 0.278 89 F C 0.036 175.784 175.800 -0.086 0.000 1.051 89 F CA 0.346 58.303 58.000 -0.071 0.000 1.357 89 F CB 0.842 39.809 39.000 -0.054 0.000 1.104 89 F HN 0.205 nan 8.300 nan 0.000 0.654 90 L N 1.509 122.727 121.223 -0.010 0.000 2.464 90 L HA 0.328 4.668 4.340 0.000 0.000 0.266 90 L C -0.784 176.020 176.870 -0.111 0.000 0.965 90 L CA -0.665 54.101 54.840 -0.123 0.000 0.833 90 L CB 1.579 43.582 42.059 -0.092 0.000 1.296 90 L HN -0.043 nan 8.230 nan 0.000 0.405 91 E N 0.754 120.864 120.200 -0.150 0.000 2.390 91 E HA 0.052 4.402 4.350 0.000 0.000 0.261 91 E C 1.115 177.651 176.600 -0.105 0.000 1.076 91 E CA 0.151 56.480 56.400 -0.120 0.000 0.905 91 E CB 0.649 30.272 29.700 -0.130 0.000 0.984 91 E HN 0.618 nan 8.360 nan 0.000 0.427 92 N N 0.395 119.050 118.700 -0.075 0.000 2.132 92 N HA -0.247 4.493 4.740 0.000 0.000 0.191 92 N C 0.083 175.564 175.510 -0.048 0.000 1.015 92 N CA 1.458 54.474 53.050 -0.056 0.000 0.864 92 N CB -0.030 38.431 38.487 -0.043 0.000 1.006 92 N HN 0.238 nan 8.380 nan 0.000 0.430 93 S N -2.257 113.403 115.700 -0.066 0.000 2.235 93 S HA 0.296 4.766 4.470 0.000 0.000 0.152 93 S C 0.389 174.919 174.600 -0.116 0.000 1.649 93 S CA -0.460 57.706 58.200 -0.057 0.000 1.277 93 S CB 0.295 63.476 63.200 -0.032 0.000 1.299 93 S HN 0.349 nan 8.310 nan 0.000 0.388 94 T N -1.687 112.731 114.554 -0.227 0.000 3.031 94 T HA 0.224 4.574 4.350 0.000 0.000 0.254 94 T C 0.517 174.946 174.700 -0.452 0.000 1.060 94 T CA 0.337 62.196 62.100 -0.402 0.000 1.135 94 T CB -0.615 67.865 68.868 -0.645 0.000 0.896 94 T HN 0.437 nan 8.240 nan 0.000 0.472 95 F N 2.098 121.993 119.950 -0.093 0.000 2.777 95 F HA 0.384 4.911 4.527 0.000 0.000 0.291 95 F C 1.435 177.247 175.800 0.019 0.000 1.187 95 F CA -1.366 56.607 58.000 -0.044 0.000 1.406 95 F CB -0.488 38.404 39.000 -0.179 0.000 0.982 95 F HN 0.096 nan 8.300 nan 0.000 0.509 96 D N 0.593 121.050 120.400 0.096 0.000 2.144 96 D HA -0.144 4.496 4.640 0.000 0.000 0.200 96 D C 1.432 177.789 176.300 0.095 0.000 0.978 96 D CA 1.183 55.227 54.000 0.073 0.000 0.833 96 D CB 0.172 40.981 40.800 0.015 0.000 0.961 96 D HN 0.033 nan 8.370 nan 0.000 0.470 97 E N -0.498 119.761 120.200 0.099 0.000 2.351 97 E HA 0.017 4.367 4.350 0.000 0.000 0.236 97 E C 0.274 176.971 176.600 0.162 0.000 1.341 97 E CA -0.220 56.233 56.400 0.089 0.000 1.579 97 E CB -0.287 29.442 29.700 0.048 0.000 1.393 97 E HN 0.419 nan 8.360 nan 0.000 0.438 98 F N -0.143 119.837 119.950 0.049 0.000 2.383 98 F HA 0.169 4.696 4.527 -0.000 0.000 0.287 98 F C 1.755 177.538 175.800 -0.029 0.000 1.069 98 F CA 1.396 59.427 58.000 0.052 0.000 1.402 98 F CB 0.594 39.631 39.000 0.062 0.000 1.116 98 F HN 0.296 nan 8.300 nan 0.000 0.549 99 G N -0.752 108.052 108.800 0.007 0.000 2.313 99 G HA2 -0.193 3.767 3.960 0.000 0.000 0.215 99 G HA3 -0.193 3.767 3.960 0.000 0.000 0.215 99 G C 0.209 174.932 174.900 -0.295 0.000 1.023 99 G CA 0.106 45.059 45.100 -0.245 0.000 0.626 99 G HN 0.473 nan 8.290 nan 0.000 0.503 100 H N 0.856 119.984 119.070 0.096 0.000 2.567 100 H HA 0.616 5.171 4.556 -0.000 0.000 0.345 100 H C 0.095 175.502 175.328 0.131 0.000 1.169 100 H CA 0.152 56.264 56.048 0.105 0.000 1.227 100 H CB 1.650 31.386 29.762 -0.044 0.000 1.607 100 H HN 0.438 nan 8.280 nan 0.000 0.534 101 S N 2.136 117.962 115.700 0.210 0.000 2.430 101 S HA 0.223 4.693 4.470 0.000 0.000 0.289 101 S C 0.218 174.862 174.600 0.073 0.000 1.143 101 S CA -0.925 57.339 58.200 0.106 0.000 1.067 101 S CB 0.053 63.301 63.200 0.079 0.000 0.964 101 S HN 0.311 nan 8.310 nan 0.000 0.485 102 I N 3.750 124.303 120.570 -0.028 0.000 2.505 102 I HA 0.133 4.303 4.170 0.000 0.000 0.287 102 I C 1.262 177.359 176.117 -0.033 0.000 1.104 102 I CA -0.099 61.149 61.300 -0.087 0.000 1.387 102 I CB -0.256 37.613 38.000 -0.219 0.000 1.404 102 I HN 0.783 nan 8.210 nan 0.000 0.528 103 N N 3.811 122.497 118.700 -0.023 0.000 2.336 103 N HA -0.038 4.702 4.740 0.000 0.000 0.177 103 N C -0.018 175.445 175.510 -0.078 0.000 1.018 103 N CA 0.921 53.928 53.050 -0.072 0.000 0.878 103 N CB 0.426 38.845 38.487 -0.114 0.000 0.997 103 N HN 0.705 nan 8.380 nan 0.000 0.433 104 D N -2.373 118.007 120.400 -0.034 0.000 2.622 104 D HA 0.207 4.847 4.640 0.000 0.000 0.255 104 D C -1.613 174.733 176.300 0.076 0.000 1.246 104 D CA -0.594 53.397 54.000 -0.015 0.000 0.795 104 D CB 0.779 41.530 40.800 -0.081 0.000 1.369 104 D HN 0.059 nan 8.370 nan 0.000 0.425 105 Y N -0.966 119.342 120.300 0.013 0.000 2.602 105 Y HA 0.805 5.355 4.550 -0.000 0.000 0.342 105 Y C -0.921 175.052 175.900 0.122 0.000 1.029 105 Y CA -1.107 57.019 58.100 0.043 0.000 1.080 105 Y CB 1.912 40.380 38.460 0.013 0.000 1.284 105 Y HN 0.162 nan 8.280 nan 0.000 0.485 106 S N 3.065 118.951 115.700 0.309 0.000 2.706 106 S HA 0.542 5.012 4.470 0.000 0.000 0.270 106 S C -1.505 173.383 174.600 0.480 0.000 1.163 106 S CA -0.736 57.662 58.200 0.330 0.000 1.042 106 S CB 0.088 63.482 63.200 0.324 0.000 1.079 106 S HN 0.634 nan 8.310 nan 0.000 0.474 107 I N 4.560 125.331 120.570 0.335 0.000 2.474 107 I HA 0.262 4.432 4.170 0.000 0.000 0.287 107 I C 1.242 177.231 176.117 -0.214 0.000 1.048 107 I CA -0.276 61.124 61.300 0.166 0.000 1.383 107 I CB 0.839 38.934 38.000 0.159 0.000 1.412 107 I HN 0.805 nan 8.210 nan 0.000 0.531 108 S N 6.202 121.497 115.700 -0.676 0.000 2.568 108 S HA 0.167 4.637 4.470 0.000 0.000 0.282 108 S C -1.749 172.573 174.600 -0.462 0.000 1.338 108 S CA -0.846 56.611 58.200 -1.238 0.000 1.045 108 S CB 0.601 62.977 63.200 -1.374 0.000 0.873 108 S HN 0.438 nan 8.310 nan 0.000 0.516 109 P HA -0.177 nan 4.420 nan 0.000 0.216 109 P C 0.881 178.131 177.300 -0.083 0.000 1.154 109 P CA 1.732 64.755 63.100 -0.129 0.000 0.865 109 P CB -0.157 31.484 31.700 -0.098 0.000 0.789 110 D N -2.217 118.132 120.400 -0.085 0.000 2.349 110 D HA 0.058 4.698 4.640 0.000 0.000 0.224 110 D C 1.393 177.674 176.300 -0.032 0.000 1.029 110 D CA 0.823 54.806 54.000 -0.028 0.000 0.879 110 D CB -1.112 39.703 40.800 0.025 0.000 0.906 110 D HN 0.244 nan 8.370 nan 0.000 0.528 111 G N 0.250 109.012 108.800 -0.064 0.000 2.162 111 G HA2 -0.391 3.569 3.960 0.000 0.000 0.260 111 G HA3 -0.391 3.569 3.960 0.000 0.000 0.260 111 G C 0.927 175.809 174.900 -0.030 0.000 0.976 111 G CA 0.498 45.606 45.100 0.013 0.000 0.655 111 G HN 0.463 nan 8.290 nan 0.000 0.533 112 Q N -1.527 118.149 119.800 -0.206 0.000 2.389 112 Q HA 0.368 4.708 4.340 0.000 0.000 0.204 112 Q C 0.028 175.519 176.000 -0.848 0.000 0.944 112 Q CA 0.658 56.140 55.803 -0.536 0.000 0.908 112 Q CB 0.346 28.654 28.738 -0.716 0.000 1.002 112 Q HN 0.572 nan 8.270 nan 0.000 0.493 113 F N -0.436 119.461 119.950 -0.089 0.000 2.601 113 F HA 0.457 4.984 4.527 -0.000 0.000 0.309 113 F C -0.674 175.194 175.800 0.113 0.000 1.089 113 F CA -1.199 56.820 58.000 0.031 0.000 0.940 113 F CB 1.639 40.680 39.000 0.068 0.000 1.273 113 F HN -0.208 nan 8.300 nan 0.000 0.450 114 I N 3.902 124.777 120.570 0.509 0.000 2.436 114 I HA 0.557 4.727 4.170 0.000 0.000 0.289 114 I C -1.718 174.694 176.117 0.491 0.000 1.010 114 I CA -1.052 60.529 61.300 0.467 0.000 1.098 114 I CB 1.410 39.629 38.000 0.365 0.000 1.266 114 I HN 0.613 nan 8.210 nan 0.000 0.434 115 L N 8.387 129.933 121.223 0.539 0.000 2.276 115 L HA 0.492 4.832 4.340 0.000 0.000 0.286 115 L C -1.354 175.660 176.870 0.240 0.000 1.061 115 L CA -0.012 55.045 54.840 0.362 0.000 0.807 115 L CB 1.001 43.212 42.059 0.253 0.000 1.177 115 L HN 0.549 nan 8.230 nan 0.000 0.429 116 L N 5.369 126.689 121.223 0.162 0.000 2.287 116 L HA 0.489 4.829 4.340 0.000 0.000 0.287 116 L C -0.157 176.808 176.870 0.158 0.000 1.022 116 L CA -0.421 54.435 54.840 0.027 0.000 0.814 116 L CB 1.547 43.413 42.059 -0.322 0.000 1.217 116 L HN 0.655 nan 8.230 nan 0.000 0.420 117 E N 4.169 124.424 120.200 0.092 0.000 2.156 117 E HA 0.442 4.792 4.350 0.000 0.000 0.279 117 E C -1.600 174.972 176.600 -0.047 0.000 0.965 117 E CA -0.472 55.852 56.400 -0.126 0.000 0.789 117 E CB 1.124 30.825 29.700 0.001 0.000 1.098 117 E HN 0.445 nan 8.360 nan 0.000 0.397 118 Y N 1.438 121.567 120.300 -0.286 0.000 2.728 118 Y HA 0.435 4.985 4.550 -0.000 0.000 0.330 118 Y C -0.367 175.458 175.900 -0.125 0.000 1.234 118 Y CA -1.654 56.363 58.100 -0.138 0.000 1.070 118 Y CB 0.469 38.901 38.460 -0.047 0.000 1.300 118 Y HN 0.494 nan 8.280 nan 0.000 0.467 119 N N 0.191 118.923 118.700 0.054 0.000 2.714 119 N HA -0.293 4.447 4.740 0.000 0.000 0.253 119 N C -1.315 174.166 175.510 -0.047 0.000 1.024 119 N CA 0.973 54.011 53.050 -0.020 0.000 0.726 119 N CB -1.325 37.074 38.487 -0.146 0.000 0.908 119 N HN 0.848 nan 8.380 nan 0.000 0.542 120 Y N -0.015 120.225 120.300 -0.101 0.000 2.436 120 Y HA 0.362 4.911 4.550 -0.000 0.000 0.336 120 Y C -0.049 175.816 175.900 -0.060 0.000 1.049 120 Y CA -0.372 57.658 58.100 -0.117 0.000 1.294 120 Y CB 0.768 39.112 38.460 -0.193 0.000 1.179 120 Y HN 0.024 nan 8.280 nan 0.000 0.520 121 V N 8.044 127.616 119.914 -0.570 0.000 2.325 121 V HA 0.188 4.308 4.120 0.000 0.000 0.280 121 V C -0.125 175.573 176.094 -0.660 0.000 1.016 121 V CA -1.345 60.667 62.300 -0.479 0.000 0.818 121 V CB 0.863 32.547 31.823 -0.231 0.000 1.019 121 V HN 0.749 nan 8.190 nan 0.000 0.434 122 K N 3.239 123.194 120.400 -0.741 0.000 2.524 122 K HA 0.024 4.344 4.320 0.000 0.000 0.279 122 K C 0.504 176.935 176.600 -0.282 0.000 0.993 122 K CA 0.474 56.526 56.287 -0.392 0.000 1.030 122 K CB 0.897 33.369 32.500 -0.046 0.000 0.891 122 K HN 0.702 nan 8.250 nan 0.000 0.488 123 Q N 3.813 123.439 119.800 -0.290 0.000 2.679 123 Q HA 0.266 4.606 4.340 0.000 0.000 0.255 123 Q C -0.231 175.532 176.000 -0.395 0.000 1.053 123 Q CA 0.463 55.923 55.803 -0.572 0.000 0.620 123 Q CB -0.135 28.127 28.738 -0.794 0.000 3.775 123 Q HN 0.714 nan 8.270 nan 0.000 0.446 124 W N 0.310 121.618 121.300 0.013 0.000 1.763 124 W HA 0.400 5.060 4.660 -0.000 0.000 0.619 124 W C 1.867 178.387 176.519 0.001 0.000 1.755 124 W CA -0.530 56.853 57.345 0.063 0.000 1.933 124 W CB -0.203 29.278 29.460 0.034 0.000 3.002 124 W HN 0.238 nan 8.180 nan 0.000 0.782 125 R N -0.618 119.997 120.500 0.191 0.000 2.092 125 R HA -0.136 4.204 4.340 0.000 0.000 0.231 125 R C 1.669 177.827 176.300 -0.237 0.000 1.119 125 R CA 1.714 57.752 56.100 -0.105 0.000 0.970 125 R CB -0.378 29.723 30.300 -0.332 0.000 0.864 125 R HN 0.522 nan 8.270 nan 0.000 0.440 126 H N -1.290 117.866 119.070 0.143 0.000 2.927 126 H HA 0.153 4.709 4.556 0.000 0.000 0.255 126 H C 0.558 176.006 175.328 0.199 0.000 0.974 126 H CA 0.443 56.601 56.048 0.184 0.000 1.199 126 H CB 0.416 30.260 29.762 0.137 0.000 1.447 126 H HN 0.142 nan 8.280 nan 0.000 0.467 127 S N 1.174 116.907 115.700 0.054 0.000 2.584 127 S HA 0.415 4.885 4.470 0.000 0.000 0.273 127 S C -0.312 174.163 174.600 -0.208 0.000 1.311 127 S CA -0.489 57.418 58.200 -0.488 0.000 1.034 127 S CB 0.983 63.473 63.200 -1.184 0.000 0.939 127 S HN 0.451 nan 8.310 nan 0.000 0.513 128 Y N -2.021 118.103 120.300 -0.293 0.000 2.818 128 Y HA 0.715 5.265 4.550 -0.000 0.000 0.341 128 Y C -0.978 174.878 175.900 -0.073 0.000 1.283 128 Y CA -1.175 56.782 58.100 -0.238 0.000 1.075 128 Y CB 0.728 39.041 38.460 -0.245 0.000 1.370 128 Y HN 0.605 nan 8.280 nan 0.000 0.448 129 T N 1.214 115.838 114.554 0.118 0.000 2.887 129 T HA 0.922 5.272 4.350 0.000 0.000 0.288 129 T C -1.129 173.660 174.700 0.148 0.000 1.021 129 T CA 0.032 62.190 62.100 0.096 0.000 1.000 129 T CB 1.389 70.242 68.868 -0.025 0.000 1.034 129 T HN 1.206 nan 8.240 nan 0.000 0.467 130 A N 1.575 124.437 122.820 0.070 0.000 2.610 130 A HA 0.778 5.098 4.320 0.000 0.000 0.291 130 A C -0.735 176.581 177.584 -0.446 0.000 1.086 130 A CA -0.750 51.162 52.037 -0.208 0.000 0.677 130 A CB 1.375 20.210 19.000 -0.275 0.000 1.278 130 A HN 0.657 nan 8.150 nan 0.000 0.414 131 S N -0.421 114.817 115.700 -0.770 0.000 2.617 131 S HA 0.779 5.249 4.470 0.000 0.000 0.283 131 S C -1.339 172.550 174.600 -1.185 0.000 1.189 131 S CA -0.011 57.644 58.200 -0.908 0.000 1.036 131 S CB 0.523 62.996 63.200 -1.211 0.000 1.014 131 S HN 0.458 nan 8.310 nan 0.000 0.522 132 Y N 0.024 120.081 120.300 -0.406 0.000 2.504 132 Y HA 0.444 4.994 4.550 0.000 0.000 0.344 132 Y C -0.452 175.468 175.900 0.033 0.000 1.023 132 Y CA -0.935 57.074 58.100 -0.151 0.000 1.020 132 Y CB 1.888 40.223 38.460 -0.208 0.000 1.282 132 Y HN 0.510 nan 8.280 nan 0.000 0.454 133 D N 2.722 123.331 120.400 0.349 0.000 2.671 133 D HA 0.556 5.196 4.640 0.000 0.000 0.232 133 D C -0.951 175.487 176.300 0.231 0.000 1.114 133 D CA -0.366 53.807 54.000 0.289 0.000 0.858 133 D CB 2.869 43.936 40.800 0.445 0.000 1.544 133 D HN 0.390 nan 8.370 nan 0.000 0.471 134 I N 1.372 122.058 120.570 0.193 0.000 2.441 134 I HA 0.279 4.449 4.170 0.000 0.000 0.295 134 I C -0.885 175.427 176.117 0.325 0.000 0.994 134 I CA -0.990 60.450 61.300 0.234 0.000 1.144 134 I CB 1.498 39.565 38.000 0.112 0.000 1.314 134 I HN 0.232 nan 8.210 nan 0.000 0.445 135 Y N 5.246 125.713 120.300 0.279 0.000 2.328 135 Y HA 0.268 4.818 4.550 0.000 0.000 0.337 135 Y C -0.093 176.036 175.900 0.383 0.000 0.966 135 Y CA -0.697 57.585 58.100 0.304 0.000 1.136 135 Y CB 1.068 39.717 38.460 0.316 0.000 1.170 135 Y HN 0.512 nan 8.280 nan 0.000 0.470 136 D N 6.507 126.904 120.400 -0.004 0.000 2.346 136 D HA 0.026 4.666 4.640 0.000 0.000 0.260 136 D C 0.790 176.906 176.300 -0.306 0.000 1.252 136 D CA 0.487 54.499 54.000 0.021 0.000 0.895 136 D CB 0.958 41.777 40.800 0.031 0.000 1.097 136 D HN 0.902 nan 8.370 nan 0.000 0.489 137 L N 4.020 125.167 121.223 -0.127 0.000 2.141 137 L HA -0.157 4.183 4.340 0.000 0.000 0.209 137 L C 2.106 178.900 176.870 -0.126 0.000 1.094 137 L CA 0.566 55.396 54.840 -0.017 0.000 0.763 137 L CB -0.154 41.890 42.059 -0.024 0.000 0.908 137 L HN 0.396 nan 8.230 nan 0.000 0.437 138 N N 0.280 118.858 118.700 -0.202 0.000 2.109 138 N HA -0.134 4.606 4.740 0.000 0.000 0.188 138 N C 1.662 177.089 175.510 -0.138 0.000 1.034 138 N CA 1.199 54.153 53.050 -0.160 0.000 0.846 138 N CB -0.131 38.253 38.487 -0.172 0.000 1.010 138 N HN 0.300 nan 8.380 nan 0.000 0.425 139 K N 0.700 121.006 120.400 -0.157 0.000 2.365 139 K HA 0.111 4.431 4.320 0.000 0.000 0.199 139 K C -0.149 176.350 176.600 -0.167 0.000 1.045 139 K CA 0.089 56.297 56.287 -0.132 0.000 0.962 139 K CB 0.245 32.682 32.500 -0.104 0.000 0.759 139 K HN 0.056 nan 8.250 nan 0.000 0.469 140 R N 1.169 121.508 120.500 -0.269 0.000 3.332 140 R HA -0.160 4.180 4.340 0.000 0.000 0.263 140 R C -0.739 175.368 176.300 -0.321 0.000 1.053 140 R CA 0.921 56.861 56.100 -0.267 0.000 0.705 140 R CB -2.663 27.616 30.300 -0.035 0.000 1.166 140 R HN 0.653 nan 8.270 nan 0.000 0.427 141 Q N -1.099 118.343 119.800 -0.597 0.000 2.377 141 Q HA 0.504 4.844 4.340 0.000 0.000 0.279 141 Q C -0.641 175.237 176.000 -0.203 0.000 1.049 141 Q CA -1.254 54.402 55.803 -0.245 0.000 0.825 141 Q CB 1.513 30.191 28.738 -0.100 0.000 1.401 141 Q HN -0.042 nan 8.270 nan 0.000 0.404 142 L N 2.576 123.872 121.223 0.122 0.000 2.416 142 L HA 0.308 4.648 4.340 0.000 0.000 0.272 142 L C 0.316 177.248 176.870 0.104 0.000 1.161 142 L CA 0.101 55.078 54.840 0.228 0.000 0.845 142 L CB -0.267 41.976 42.059 0.306 0.000 1.119 142 L HN 0.710 nan 8.230 nan 0.000 0.464 143 I N 2.981 123.612 120.570 0.102 0.000 2.496 143 I HA 0.025 4.195 4.170 0.000 0.000 0.285 143 I C 1.285 177.423 176.117 0.035 0.000 1.080 143 I CA 0.181 61.509 61.300 0.047 0.000 1.404 143 I CB 1.123 39.136 38.000 0.022 0.000 1.403 143 I HN 0.782 nan 8.210 nan 0.000 0.539 144 T N 0.792 115.353 114.554 0.011 0.000 3.003 144 T HA 0.136 4.486 4.350 0.000 0.000 0.261 144 T C 0.362 175.048 174.700 -0.024 0.000 1.003 144 T CA -0.439 61.659 62.100 -0.003 0.000 0.917 144 T CB 0.068 68.935 68.868 -0.002 0.000 1.084 144 T HN 0.596 nan 8.240 nan 0.000 0.522 145 E N 1.921 122.105 120.200 -0.027 0.000 2.231 145 E HA 0.244 4.594 4.350 0.000 0.000 0.277 145 E C -0.734 175.831 176.600 -0.058 0.000 0.999 145 E CA -0.555 55.821 56.400 -0.040 0.000 0.827 145 E CB 0.796 30.478 29.700 -0.031 0.000 1.101 145 E HN 0.147 nan 8.360 nan 0.000 0.393 146 E N 1.357 121.513 120.200 -0.075 0.000 2.210 146 E HA -0.224 4.126 4.350 0.000 0.000 0.201 146 E C -0.570 175.956 176.600 -0.124 0.000 1.339 146 E CA 0.677 57.017 56.400 -0.099 0.000 0.699 146 E CB -1.266 28.384 29.700 -0.085 0.000 1.126 146 E HN 0.552 nan 8.360 nan 0.000 0.355 147 R N -0.109 120.305 120.500 -0.142 0.000 2.615 147 R HA 0.428 4.768 4.340 0.000 0.000 0.270 147 R C 1.111 177.238 176.300 -0.290 0.000 1.081 147 R CA -0.630 55.370 56.100 -0.166 0.000 1.154 147 R CB 0.591 30.818 30.300 -0.122 0.000 1.063 147 R HN 0.141 nan 8.270 nan 0.000 0.519 148 I N 4.226 124.591 120.570 -0.341 0.000 2.533 148 I HA 0.058 4.229 4.170 0.000 0.000 0.284 148 I C -1.548 174.258 176.117 -0.519 0.000 1.109 148 I CA -1.597 59.341 61.300 -0.603 0.000 1.412 148 I CB 0.457 38.127 38.000 -0.551 0.000 1.396 148 I HN 0.326 nan 8.210 nan 0.000 0.543 149 P HA 0.044 nan 4.420 nan 0.000 0.270 149 P C -0.774 176.321 177.300 -0.342 0.000 1.223 149 P CA -0.342 62.365 63.100 -0.656 0.000 0.785 149 P CB 0.452 31.326 31.700 -1.377 0.000 0.923 150 N N 1.251 119.846 118.700 -0.175 0.000 2.453 150 N HA -0.017 4.723 4.740 0.000 0.000 0.253 150 N C 0.324 175.919 175.510 0.142 0.000 1.252 150 N CA 0.288 53.307 53.050 -0.052 0.000 0.917 150 N CB -0.673 37.800 38.487 -0.024 0.000 1.117 150 N HN 0.427 nan 8.380 nan 0.000 0.442 151 N N -1.471 117.275 118.700 0.078 0.000 2.754 151 N HA -0.163 4.577 4.740 0.000 0.000 0.248 151 N C -1.072 174.590 175.510 0.253 0.000 1.093 151 N CA 0.533 53.659 53.050 0.128 0.000 0.699 151 N CB -1.218 37.334 38.487 0.108 0.000 1.016 151 N HN 0.440 nan 8.380 nan 0.000 0.552 152 T N 0.164 114.872 114.554 0.257 0.000 2.869 152 T HA 0.122 4.472 4.350 0.000 0.000 0.295 152 T C 1.407 176.271 174.700 0.273 0.000 0.987 152 T CA -0.119 62.174 62.100 0.323 0.000 1.109 152 T CB 1.500 70.495 68.868 0.212 0.000 0.932 152 T HN 0.174 nan 8.240 nan 0.000 0.518 153 Q N 1.706 121.658 119.800 0.253 0.000 2.165 153 Q HA 0.151 4.491 4.340 0.000 0.000 0.197 153 Q C 0.148 176.308 176.000 0.267 0.000 0.952 153 Q CA 0.581 56.547 55.803 0.272 0.000 0.848 153 Q CB 0.665 29.544 28.738 0.236 0.000 0.931 153 Q HN 0.685 nan 8.270 nan 0.000 0.470 154 W N 0.600 121.867 121.300 -0.055 0.000 3.372 154 W HA 0.485 5.145 4.660 -0.000 0.000 0.315 154 W C -1.884 174.563 176.519 -0.120 0.000 1.223 154 W CA -0.899 56.371 57.345 -0.125 0.000 1.202 154 W CB 1.540 30.855 29.460 -0.241 0.000 1.367 154 W HN -0.216 nan 8.180 nan 0.000 0.531 155 V N 1.604 120.850 119.914 -1.112 0.000 2.789 155 V HA 0.902 5.022 4.120 0.000 0.000 0.311 155 V C -1.048 174.450 176.094 -0.995 0.000 1.073 155 V CA -0.582 61.176 62.300 -0.903 0.000 0.921 155 V CB 1.332 32.508 31.823 -1.078 0.000 1.009 155 V HN 0.574 nan 8.190 nan 0.000 0.426 156 T N 3.282 117.559 114.554 -0.462 0.000 3.097 156 T HA 0.527 4.877 4.350 0.000 0.000 0.332 156 T C -1.424 173.272 174.700 -0.006 0.000 1.269 156 T CA -0.316 61.703 62.100 -0.135 0.000 1.076 156 T CB 0.995 70.051 68.868 0.314 0.000 1.209 156 T HN 0.788 nan 8.240 nan 0.000 0.474 157 W N 3.033 124.360 121.300 0.044 0.000 2.161 157 W HA 0.486 5.146 4.660 0.000 0.000 0.344 157 W C 1.221 177.474 176.519 -0.443 0.000 1.262 157 W CA -0.604 56.687 57.345 -0.090 0.000 1.270 157 W CB 0.649 30.072 29.460 -0.062 0.000 1.126 157 W HN 0.783 nan 8.180 nan 0.000 0.598 158 S N 1.131 116.453 115.700 -0.630 0.000 2.593 158 S HA 0.147 4.617 4.470 0.000 0.000 0.269 158 S C -1.852 172.436 174.600 -0.519 0.000 1.334 158 S CA -0.955 56.376 58.200 -1.448 0.000 1.015 158 S CB 0.992 63.365 63.200 -1.378 0.000 0.912 158 S HN 0.265 nan 8.310 nan 0.000 0.541 159 P HA 0.030 nan 4.420 nan 0.000 0.218 159 P C 0.366 177.614 177.300 -0.086 0.000 1.149 159 P CA 0.777 63.819 63.100 -0.097 0.000 0.817 159 P CB -0.231 31.457 31.700 -0.020 0.000 0.785 160 V N -6.105 113.726 119.914 -0.139 0.000 2.960 160 V HA 0.897 5.017 4.120 0.000 0.000 0.315 160 V C 0.471 176.475 176.094 -0.150 0.000 1.087 160 V CA -0.335 61.900 62.300 -0.108 0.000 0.982 160 V CB 0.869 32.646 31.823 -0.076 0.000 1.039 160 V HN 0.451 nan 8.190 nan 0.000 0.437 161 G N 2.195 110.926 108.800 -0.116 0.000 2.525 161 G HA2 -0.170 3.790 3.960 0.000 0.000 0.248 161 G HA3 -0.170 3.790 3.960 0.000 0.000 0.248 161 G C 0.175 175.022 174.900 -0.088 0.000 1.238 161 G CA 0.612 45.625 45.100 -0.145 0.000 0.926 161 G HN 2.476 nan 8.290 nan 0.000 0.574 162 H N -0.485 118.598 119.070 0.023 0.000 2.885 162 H HA 0.395 4.951 4.556 -0.000 0.000 0.237 162 H C 0.361 175.879 175.328 0.317 0.000 1.229 162 H CA -0.171 55.964 56.048 0.145 0.000 0.947 162 H CB -0.095 29.828 29.762 0.269 0.000 2.223 162 H HN 0.499 nan 8.280 nan 0.000 0.628 163 K N 1.372 121.822 120.400 0.084 0.000 2.319 163 K HA 0.293 4.613 4.320 0.000 0.000 0.265 163 K C -0.755 175.955 176.600 0.183 0.000 1.000 163 K CA -0.491 55.843 56.287 0.077 0.000 0.943 163 K CB 1.323 33.739 32.500 -0.139 0.000 0.950 163 K HN 0.064 nan 8.250 nan 0.000 0.485 164 L N 0.926 122.269 121.223 0.199 0.000 2.464 164 L HA 0.477 4.817 4.340 0.000 0.000 0.266 164 L C -1.634 175.378 176.870 0.237 0.000 0.965 164 L CA -0.211 54.688 54.840 0.097 0.000 0.833 164 L CB 1.943 43.904 42.059 -0.164 0.000 1.296 164 L HN 0.747 nan 8.230 nan 0.000 0.405 165 A N 4.040 127.020 122.820 0.267 0.000 2.343 165 A HA 0.800 5.120 4.320 0.000 0.000 0.316 165 A C -1.754 175.845 177.584 0.026 0.000 1.104 165 A CA -0.390 51.713 52.037 0.109 0.000 0.768 165 A CB 0.944 19.976 19.000 0.054 0.000 1.213 165 A HN 0.777 nan 8.150 nan 0.000 0.456 166 Y N -0.184 120.086 120.300 -0.051 0.000 2.553 166 Y HA 0.773 5.323 4.550 -0.000 0.000 0.347 166 Y C -1.124 174.802 175.900 0.044 0.000 1.019 166 Y CA -1.700 56.349 58.100 -0.084 0.000 1.032 166 Y CB 1.160 39.508 38.460 -0.186 0.000 1.284 166 Y HN 0.361 nan 8.280 nan 0.000 0.466 167 V N 2.623 122.698 119.914 0.267 0.000 2.417 167 V HA 0.354 4.474 4.120 0.000 0.000 0.291 167 V C -1.352 174.988 176.094 0.409 0.000 1.024 167 V CA -0.602 61.837 62.300 0.231 0.000 0.861 167 V CB 1.153 33.009 31.823 0.055 0.000 0.985 167 V HN 0.886 nan 8.190 nan 0.000 0.436 168 W N 4.678 126.112 121.300 0.224 0.000 3.129 168 W HA 0.445 5.105 4.660 0.000 0.000 0.333 168 W C 0.400 176.988 176.519 0.115 0.000 1.141 168 W CA -0.785 56.649 57.345 0.148 0.000 1.224 168 W CB 1.265 30.781 29.460 0.094 0.000 1.393 168 W HN 0.777 nan 8.180 nan 0.000 0.499 169 N N 5.549 123.919 118.700 -0.550 0.000 2.708 169 N HA -0.371 4.369 4.740 0.000 0.000 0.251 169 N C 0.025 175.389 175.510 -0.243 0.000 1.017 169 N CA 1.108 53.837 53.050 -0.536 0.000 0.742 169 N CB -1.039 36.923 38.487 -0.874 0.000 0.943 169 N HN 0.822 nan 8.380 nan 0.000 0.539 170 N N -1.850 116.772 118.700 -0.130 0.000 2.800 170 N HA -0.159 4.581 4.740 0.000 0.000 0.250 170 N C -1.291 174.157 175.510 -0.103 0.000 1.078 170 N CA 0.944 53.931 53.050 -0.104 0.000 0.804 170 N CB -0.377 38.000 38.487 -0.184 0.000 1.135 170 N HN 0.428 nan 8.380 nan 0.000 0.565 171 D N 0.494 120.850 120.400 -0.072 0.000 2.433 171 D HA 0.515 5.155 4.640 0.000 0.000 0.236 171 D C 0.077 176.234 176.300 -0.238 0.000 1.026 171 D CA -0.368 53.514 54.000 -0.198 0.000 0.884 171 D CB 1.648 42.286 40.800 -0.270 0.000 1.384 171 D HN 0.021 nan 8.370 nan 0.000 0.477 172 I N 1.767 122.019 120.570 -0.529 0.000 2.353 172 I HA 0.257 4.427 4.170 0.000 0.000 0.293 172 I C -0.674 174.939 176.117 -0.841 0.000 0.992 172 I CA -0.456 60.508 61.300 -0.561 0.000 1.268 172 I CB 0.607 38.205 38.000 -0.670 0.000 1.387 172 I HN 0.161 nan 8.210 nan 0.000 0.478 173 Y N 4.213 124.149 120.300 -0.605 0.000 2.499 173 Y HA 0.654 5.204 4.550 -0.000 0.000 0.347 173 Y C -0.377 175.161 175.900 -0.604 0.000 0.987 173 Y CA -0.968 56.699 58.100 -0.721 0.000 1.044 173 Y CB 2.131 39.828 38.460 -1.271 0.000 1.245 173 Y HN 0.113 nan 8.280 nan 0.000 0.461 174 V N 2.728 122.555 119.914 -0.146 0.000 2.656 174 V HA 0.452 4.572 4.120 0.000 0.000 0.307 174 V C -0.865 175.336 176.094 0.178 0.000 1.051 174 V CA -1.367 60.952 62.300 0.030 0.000 0.893 174 V CB 2.022 33.887 31.823 0.070 0.000 0.999 174 V HN 0.629 nan 8.190 nan 0.000 0.426 175 K N 4.274 124.786 120.400 0.186 0.000 2.450 175 K HA 0.497 4.817 4.320 0.000 0.000 0.257 175 K C 0.376 177.104 176.600 0.213 0.000 0.953 175 K CA -0.721 55.681 56.287 0.192 0.000 0.844 175 K CB 1.790 34.365 32.500 0.125 0.000 1.103 175 K HN 0.438 nan 8.250 nan 0.000 0.429 176 I N 1.160 121.879 120.570 0.248 0.000 2.202 176 I HA -0.106 4.064 4.170 0.000 0.000 0.242 176 I C 0.518 176.753 176.117 0.197 0.000 1.091 176 I CA 1.529 62.948 61.300 0.197 0.000 1.368 176 I CB -0.301 37.820 38.000 0.202 0.000 1.058 176 I HN 0.542 nan 8.210 nan 0.000 0.410 177 E N 0.160 120.469 120.200 0.182 0.000 2.238 177 E HA 0.283 4.633 4.350 0.000 0.000 0.267 177 E C -1.904 174.710 176.600 0.023 0.000 0.887 177 E CA -2.116 54.380 56.400 0.161 0.000 0.769 177 E CB 1.514 31.301 29.700 0.145 0.000 1.187 177 E HN -0.118 nan 8.360 nan 0.000 0.416 178 P HA -0.158 nan 4.420 nan 0.000 0.218 178 P C 0.659 177.874 177.300 -0.141 0.000 1.146 178 P CA 1.391 64.356 63.100 -0.226 0.000 0.813 178 P CB 0.185 31.531 31.700 -0.590 0.000 0.778 179 N N -2.072 116.566 118.700 -0.103 0.000 2.205 179 N HA 0.082 4.822 4.740 0.000 0.000 0.201 179 N C 0.164 175.653 175.510 -0.036 0.000 1.128 179 N CA -0.149 52.866 53.050 -0.058 0.000 0.867 179 N CB 0.109 38.574 38.487 -0.037 0.000 0.996 179 N HN 0.129 nan 8.380 nan 0.000 0.503 180 L N 1.055 122.264 121.223 -0.023 0.000 2.375 180 L HA 0.490 4.830 4.340 0.000 0.000 0.268 180 L C -2.258 174.570 176.870 -0.069 0.000 1.058 180 L CA -2.232 52.591 54.840 -0.027 0.000 0.803 180 L CB 0.940 43.005 42.059 0.011 0.000 1.212 180 L HN -0.202 nan 8.230 nan 0.000 0.451 181 P HA -0.014 nan 4.420 nan 0.000 0.265 181 P C -0.692 176.450 177.300 -0.263 0.000 1.193 181 P CA -0.133 62.863 63.100 -0.173 0.000 0.765 181 P CB 0.489 32.069 31.700 -0.200 0.000 0.823 182 S N 2.836 118.445 115.700 -0.151 0.000 2.580 182 S HA 0.325 4.795 4.470 0.000 0.000 0.274 182 S C -0.636 173.871 174.600 -0.155 0.000 1.329 182 S CA -0.421 57.731 58.200 -0.080 0.000 1.036 182 S CB 0.037 63.282 63.200 0.074 0.000 0.919 182 S HN 0.256 nan 8.310 nan 0.000 0.515 183 Y N 0.678 120.996 120.300 0.030 0.000 2.313 183 Y HA 0.442 4.992 4.550 -0.000 0.000 0.332 183 Y C 0.906 176.753 175.900 -0.089 0.000 1.071 183 Y CA -0.902 57.205 58.100 0.010 0.000 1.169 183 Y CB 0.898 39.362 38.460 0.006 0.000 1.192 183 Y HN 0.680 nan 8.280 nan 0.000 0.487 184 R N 3.506 123.999 120.500 -0.013 0.000 2.298 184 R HA 0.244 4.584 4.340 0.000 0.000 0.310 184 R C 0.172 176.263 176.300 -0.349 0.000 1.068 184 R CA -0.147 55.655 56.100 -0.496 0.000 0.957 184 R CB 0.318 30.147 30.300 -0.786 0.000 1.003 184 R HN 0.783 nan 8.270 nan 0.000 0.454 185 I N 2.222 122.477 120.570 -0.525 0.000 2.731 185 I HA -0.008 4.162 4.170 0.000 0.000 0.260 185 I C 0.958 176.897 176.117 -0.297 0.000 1.138 185 I CA 0.859 61.961 61.300 -0.330 0.000 1.461 185 I CB -0.643 37.102 38.000 -0.425 0.000 1.128 185 I HN 0.649 nan 8.210 nan 0.000 0.438 186 T N -3.610 110.626 114.554 -0.530 0.000 2.893 186 T HA 0.423 4.773 4.350 0.000 0.000 0.293 186 T C -0.945 173.490 174.700 -0.442 0.000 1.027 186 T CA -0.511 61.383 62.100 -0.343 0.000 0.988 186 T CB 1.753 70.394 68.868 -0.379 0.000 1.043 186 T HN 0.166 nan 8.240 nan 0.000 0.461 187 W N 1.356 122.554 121.300 -0.170 0.000 2.599 187 W HA 0.288 4.948 4.660 0.000 0.000 0.396 187 W C 1.613 178.085 176.519 -0.077 0.000 0.944 187 W CA -0.256 57.025 57.345 -0.106 0.000 2.042 187 W CB 0.484 29.898 29.460 -0.076 0.000 1.184 187 W HN 0.969 nan 8.180 nan 0.000 0.604 188 T N -3.839 110.753 114.554 0.063 0.000 3.003 188 T HA 0.284 4.634 4.350 0.000 0.000 0.261 188 T C 1.142 175.841 174.700 -0.002 0.000 1.003 188 T CA 0.099 62.226 62.100 0.044 0.000 0.917 188 T CB 0.063 68.956 68.868 0.041 0.000 1.084 188 T HN -0.023 nan 8.240 nan 0.000 0.522 189 G N 1.537 110.306 108.800 -0.050 0.000 2.299 189 G HA2 0.408 4.368 3.960 0.000 0.000 0.256 189 G HA3 0.408 4.368 3.960 0.000 0.000 0.256 189 G C -0.671 174.167 174.900 -0.103 0.000 1.259 189 G CA -0.329 44.717 45.100 -0.089 0.000 0.943 189 G HN 0.473 nan 8.290 nan 0.000 0.479 190 K N 2.119 122.444 120.400 -0.125 0.000 2.427 190 K HA 0.206 4.526 4.320 0.000 0.000 0.252 190 K C -0.155 176.328 176.600 -0.194 0.000 0.931 190 K CA -0.709 55.502 56.287 -0.126 0.000 0.793 190 K CB 1.953 34.412 32.500 -0.068 0.000 1.211 190 K HN 0.593 nan 8.250 nan 0.000 0.426 191 E N 2.504 122.601 120.200 -0.172 0.000 2.558 191 E HA -0.129 4.221 4.350 0.000 0.000 0.255 191 E C -0.644 175.876 176.600 -0.133 0.000 0.968 191 E CA 0.861 57.158 56.400 -0.172 0.000 0.939 191 E CB 0.283 29.914 29.700 -0.116 0.000 0.921 191 E HN 0.616 nan 8.360 nan 0.000 0.477 192 D N 2.389 122.699 120.400 -0.149 0.000 3.046 192 D HA -0.239 4.401 4.640 0.000 0.000 0.210 192 D C 0.555 176.891 176.300 0.060 0.000 1.124 192 D CA 1.480 55.505 54.000 0.042 0.000 0.986 192 D CB -0.822 40.032 40.800 0.090 0.000 1.118 192 D HN 0.522 nan 8.370 nan 0.000 0.416 193 I N -1.254 119.259 120.570 -0.095 0.000 3.878 193 I HA 0.083 4.253 4.170 0.000 0.000 0.273 193 I C 0.389 176.536 176.117 0.050 0.000 1.165 193 I CA 0.092 61.410 61.300 0.030 0.000 1.360 193 I CB 0.778 38.786 38.000 0.014 0.000 1.539 193 I HN -0.164 nan 8.210 nan 0.000 0.447 194 I N 1.223 121.723 120.570 -0.118 0.000 2.466 194 I HA 0.296 4.466 4.170 0.000 0.000 0.289 194 I C -1.508 174.517 176.117 -0.155 0.000 1.026 194 I CA -0.474 60.828 61.300 0.002 0.000 1.078 194 I CB 1.368 39.384 38.000 0.027 0.000 1.249 194 I HN 0.018 nan 8.210 nan 0.000 0.429 195 Y N 4.385 124.783 120.300 0.162 0.000 2.338 195 Y HA 0.398 4.948 4.550 -0.000 0.000 0.328 195 Y C 0.290 176.266 175.900 0.127 0.000 0.965 195 Y CA -0.776 57.423 58.100 0.165 0.000 1.208 195 Y CB 1.056 39.686 38.460 0.284 0.000 1.132 195 Y HN 0.404 nan 8.280 nan 0.000 0.469 196 N N 2.167 120.938 118.700 0.118 0.000 2.424 196 N HA 0.319 5.059 4.740 0.000 0.000 0.271 196 N C 0.893 176.352 175.510 -0.086 0.000 0.985 196 N CA 0.415 53.474 53.050 0.015 0.000 0.921 196 N CB 1.903 40.307 38.487 -0.139 0.000 1.149 196 N HN 0.983 nan 8.380 nan 0.000 0.492 197 G N 1.635 110.399 108.800 -0.060 0.000 2.196 197 G HA2 -0.269 3.691 3.960 0.000 0.000 0.268 197 G HA3 -0.269 3.691 3.960 0.000 0.000 0.268 197 G C 0.147 174.895 174.900 -0.253 0.000 0.975 197 G CA 0.972 45.957 45.100 -0.191 0.000 0.648 197 G HN 0.683 nan 8.290 nan 0.000 0.538 198 I N -2.286 118.208 120.570 -0.128 0.000 2.828 198 I HA 0.797 4.968 4.170 0.000 0.000 0.302 198 I C 0.284 176.420 176.117 0.032 0.000 1.101 198 I CA -0.709 60.425 61.300 -0.277 0.000 1.031 198 I CB 2.057 39.712 38.000 -0.574 0.000 1.231 198 I HN 0.142 nan 8.210 nan 0.000 0.427 199 T N -0.315 114.183 114.554 -0.094 0.000 2.913 199 T HA 0.372 4.722 4.350 0.000 0.000 0.287 199 T C -0.166 174.324 174.700 -0.349 0.000 1.008 199 T CA -0.674 61.249 62.100 -0.295 0.000 1.067 199 T CB 1.287 70.056 68.868 -0.165 0.000 0.996 199 T HN 0.758 nan 8.240 nan 0.000 0.513 200 D N 0.671 120.571 120.400 -0.833 0.000 2.440 200 D HA 0.026 4.667 4.640 0.000 0.000 0.269 200 D C 0.988 177.181 176.300 -0.178 0.000 1.249 200 D CA -1.060 52.477 54.000 -0.772 0.000 1.055 200 D CB 0.059 40.319 40.800 -0.899 0.000 1.104 200 D HN 0.689 nan 8.370 nan 0.000 0.561 201 W N -0.062 121.152 121.300 -0.143 0.000 2.333 201 W HA -0.213 4.447 4.660 0.000 0.000 0.316 201 W C 2.212 178.622 176.519 -0.182 0.000 1.215 201 W CA 2.361 59.618 57.345 -0.147 0.000 1.278 201 W CB -0.480 28.839 29.460 -0.234 0.000 1.154 201 W HN 0.180 nan 8.180 nan 0.000 0.486 202 V N -0.305 119.665 119.914 0.093 0.000 2.453 202 V HA -0.278 3.842 4.120 0.000 0.000 0.247 202 V C 1.895 177.838 176.094 -0.252 0.000 1.048 202 V CA 1.939 64.203 62.300 -0.060 0.000 1.049 202 V CB -0.741 31.061 31.823 -0.035 0.000 0.672 202 V HN 0.274 nan 8.190 nan 0.000 0.457 203 Y N 0.693 120.827 120.300 -0.277 0.000 2.242 203 Y HA -0.182 4.368 4.550 0.000 0.000 0.291 203 Y C 2.570 178.374 175.900 -0.159 0.000 1.137 203 Y CA 2.126 60.083 58.100 -0.240 0.000 1.181 203 Y CB -0.129 38.072 38.460 -0.432 0.000 0.989 203 Y HN 0.382 nan 8.280 nan 0.000 0.527 204 E N 0.315 120.468 120.200 -0.079 0.000 2.038 204 E HA -0.307 4.043 4.350 0.000 0.000 0.195 204 E C 2.014 178.546 176.600 -0.114 0.000 1.000 204 E CA 1.681 58.048 56.400 -0.054 0.000 0.803 204 E CB -0.031 29.632 29.700 -0.062 0.000 0.750 204 E HN 0.403 nan 8.360 nan 0.000 0.448 205 E N -0.063 119.889 120.200 -0.414 0.000 2.112 205 E HA -0.124 4.226 4.350 0.000 0.000 0.190 205 E C 1.417 177.893 176.600 -0.208 0.000 0.979 205 E CA 1.269 57.429 56.400 -0.400 0.000 0.814 205 E CB 0.276 29.401 29.700 -0.957 0.000 0.762 205 E HN 0.223 nan 8.360 nan 0.000 0.460 206 E N -1.005 119.049 120.200 -0.243 0.000 2.514 206 E HA 0.127 4.477 4.350 0.000 0.000 0.215 206 E C 1.292 177.750 176.600 -0.238 0.000 0.946 206 E CA 0.256 56.552 56.400 -0.172 0.000 1.038 206 E CB 1.366 30.961 29.700 -0.175 0.000 1.069 206 E HN 0.172 nan 8.360 nan 0.000 0.503 207 V N -0.679 119.058 119.914 -0.294 0.000 3.001 207 V HA 0.093 4.213 4.120 0.000 0.000 0.228 207 V C 1.248 177.107 176.094 -0.392 0.000 1.204 207 V CA 0.517 62.555 62.300 -0.435 0.000 1.247 207 V CB -0.156 31.260 31.823 -0.678 0.000 1.093 207 V HN 0.010 nan 8.190 nan 0.000 0.504 208 F N 0.885 120.835 119.950 -0.001 0.000 2.749 208 F HA 0.276 4.803 4.527 -0.000 0.000 0.300 208 F C 1.548 177.295 175.800 -0.089 0.000 1.103 208 F CA 0.336 58.349 58.000 0.023 0.000 1.342 208 F CB -0.174 38.890 39.000 0.107 0.000 1.098 208 F HN 0.084 nan 8.300 nan 0.000 0.586 209 S N 0.456 116.143 115.700 -0.021 0.000 3.521 209 S HA -0.059 4.411 4.470 0.000 0.000 0.362 209 S C 0.128 174.254 174.600 -0.790 0.000 1.044 209 S CA 0.438 58.469 58.200 -0.281 0.000 1.091 209 S CB -1.893 61.234 63.200 -0.122 0.000 0.908 209 S HN 0.628 nan 8.310 nan 0.000 0.473 210 A N -0.819 121.767 122.820 -0.390 0.000 2.594 210 A HA 0.677 4.997 4.320 0.000 0.000 0.296 210 A C -0.250 177.288 177.584 -0.076 0.000 1.061 210 A CA -0.484 51.378 52.037 -0.292 0.000 0.689 210 A CB 0.407 19.272 19.000 -0.224 0.000 1.280 210 A HN 0.306 nan 8.150 nan 0.000 0.406 211 Y N 1.634 121.789 120.300 -0.242 0.000 2.337 211 Y HA 0.051 4.601 4.550 0.000 0.000 0.293 211 Y C 1.646 177.275 175.900 -0.451 0.000 1.123 211 Y CA 1.287 59.249 58.100 -0.231 0.000 1.201 211 Y CB 0.290 38.671 38.460 -0.131 0.000 1.011 211 Y HN 0.721 nan 8.280 nan 0.000 0.545 212 S N 0.592 115.770 115.700 -0.871 0.000 2.549 212 S HA 0.368 4.838 4.470 0.000 0.000 0.283 212 S C 0.062 174.114 174.600 -0.913 0.000 1.320 212 S CA 0.055 57.501 58.200 -1.256 0.000 1.058 212 S CB 1.028 63.085 63.200 -1.906 0.000 0.882 212 S HN 0.390 nan 8.310 nan 0.000 0.498 213 A N 5.797 128.090 122.820 -0.878 0.000 2.959 213 A HA 0.528 4.848 4.320 0.000 0.000 0.280 213 A C -0.577 176.247 177.584 -1.266 0.000 0.953 213 A CA -0.508 50.891 52.037 -1.064 0.000 1.047 213 A CB -0.082 18.705 19.000 -0.355 0.000 1.147 213 A HN 0.742 nan 8.150 nan 0.000 0.489 214 L N 0.582 120.991 121.223 -1.357 0.000 2.385 214 L HA 0.570 4.910 4.340 0.000 0.000 0.273 214 L C -1.170 175.188 176.870 -0.854 0.000 0.990 214 L CA -0.530 53.808 54.840 -0.838 0.000 0.821 214 L CB 1.824 43.628 42.059 -0.424 0.000 1.279 214 L HN 0.457 nan 8.230 nan 0.000 0.412 215 W N 2.635 123.957 121.300 0.038 0.000 2.543 215 W HA 0.252 4.912 4.660 -0.000 0.000 0.318 215 W C -1.043 175.664 176.519 0.314 0.000 1.002 215 W CA -1.109 56.387 57.345 0.251 0.000 1.302 215 W CB 1.346 31.017 29.460 0.351 0.000 1.299 215 W HN 0.485 nan 8.180 nan 0.000 0.424 216 W N 2.465 123.962 121.300 0.328 0.000 2.218 216 W HA 0.231 4.891 4.660 -0.000 0.000 0.326 216 W C 1.289 177.587 176.519 -0.368 0.000 1.276 216 W CA 0.219 57.607 57.345 0.071 0.000 1.210 216 W CB 0.867 30.355 29.460 0.046 0.000 1.143 216 W HN 0.199 nan 8.180 nan 0.000 0.563 217 S N 2.910 118.257 115.700 -0.588 0.000 2.579 217 S HA 0.142 4.612 4.470 0.000 0.000 0.275 217 S C -1.717 172.625 174.600 -0.430 0.000 1.345 217 S CA -0.997 56.373 58.200 -1.383 0.000 1.031 217 S CB 1.145 63.551 63.200 -1.324 0.000 0.892 217 S HN 0.301 nan 8.310 nan 0.000 0.529 218 P HA -0.154 nan 4.420 nan 0.000 0.217 218 P C 0.813 178.079 177.300 -0.056 0.000 1.148 218 P CA 1.584 64.645 63.100 -0.065 0.000 0.834 218 P CB -0.200 31.507 31.700 0.011 0.000 0.783 219 N N -2.139 116.514 118.700 -0.077 0.000 2.235 219 N HA 0.141 4.881 4.740 0.000 0.000 0.209 219 N C 1.108 176.559 175.510 -0.099 0.000 1.122 219 N CA 0.393 53.401 53.050 -0.071 0.000 0.845 219 N CB -0.583 37.876 38.487 -0.047 0.000 1.004 219 N HN 0.147 nan 8.380 nan 0.000 0.499 220 G N -0.892 107.858 108.800 -0.083 0.000 2.176 220 G HA2 -0.357 3.603 3.960 0.000 0.000 0.253 220 G HA3 -0.357 3.603 3.960 0.000 0.000 0.253 220 G C 1.034 175.980 174.900 0.076 0.000 0.979 220 G CA 0.758 45.829 45.100 -0.047 0.000 0.641 220 G HN 0.374 nan 8.290 nan 0.000 0.530 221 T N 0.241 114.750 114.554 -0.075 0.000 2.643 221 T HA 0.124 4.474 4.350 0.000 0.000 0.264 221 T C 0.873 175.412 174.700 -0.268 0.000 1.045 221 T CA 1.440 63.384 62.100 -0.260 0.000 1.155 221 T CB -0.127 68.434 68.868 -0.511 0.000 0.863 221 T HN 0.282 nan 8.240 nan 0.000 0.420 222 F N 0.726 120.695 119.950 0.031 0.000 2.404 222 F HA 0.566 5.093 4.527 -0.000 0.000 0.339 222 F C -0.154 175.685 175.800 0.065 0.000 1.105 222 F CA -1.557 56.496 58.000 0.089 0.000 1.087 222 F CB 0.946 40.083 39.000 0.229 0.000 1.143 222 F HN -0.045 nan 8.300 nan 0.000 0.491 223 L N 3.696 125.021 121.223 0.170 0.000 2.294 223 L HA 0.784 5.124 4.340 0.000 0.000 0.283 223 L C -0.475 176.445 176.870 0.082 0.000 1.015 223 L CA -0.451 54.301 54.840 -0.146 0.000 0.831 223 L CB 0.537 42.231 42.059 -0.608 0.000 1.217 223 L HN 0.660 nan 8.230 nan 0.000 0.420 224 A N 5.104 128.051 122.820 0.212 0.000 2.306 224 A HA 0.740 5.060 4.320 0.000 0.000 0.314 224 A C -1.309 176.326 177.584 0.086 0.000 1.164 224 A CA -0.308 51.762 52.037 0.055 0.000 0.822 224 A CB 0.493 19.607 19.000 0.190 0.000 1.130 224 A HN 0.844 nan 8.150 nan 0.000 0.496 225 Y N -1.236 118.852 120.300 -0.354 0.000 2.625 225 Y HA 0.797 5.347 4.550 -0.000 0.000 0.338 225 Y C -0.267 175.478 175.900 -0.258 0.000 1.123 225 Y CA -0.995 56.976 58.100 -0.215 0.000 1.046 225 Y CB 1.027 39.339 38.460 -0.248 0.000 1.299 225 Y HN 0.879 nan 8.280 nan 0.000 0.464 226 A N 1.714 124.591 122.820 0.095 0.000 2.320 226 A HA 0.666 4.986 4.320 0.000 0.000 0.334 226 A C -1.237 176.254 177.584 -0.154 0.000 1.147 226 A CA -0.862 51.118 52.037 -0.096 0.000 0.820 226 A CB 1.708 20.607 19.000 -0.169 0.000 1.218 226 A HN 0.807 nan 8.150 nan 0.000 0.482 227 Q N 1.155 120.792 119.800 -0.272 0.000 2.310 227 Q HA 0.591 4.931 4.340 0.000 0.000 0.270 227 Q C -2.047 173.771 176.000 -0.304 0.000 1.025 227 Q CA -0.345 55.402 55.803 -0.093 0.000 0.772 227 Q CB 0.961 29.856 28.738 0.261 0.000 1.253 227 Q HN 0.597 nan 8.270 nan 0.000 0.450 228 F N 2.299 122.348 119.950 0.165 0.000 2.443 228 F HA 0.425 4.953 4.527 0.000 0.000 0.335 228 F C 0.470 176.423 175.800 0.254 0.000 1.104 228 F CA -0.859 57.219 58.000 0.131 0.000 1.013 228 F CB 1.323 40.317 39.000 -0.010 0.000 1.136 228 F HN 0.432 nan 8.300 nan 0.000 0.470 229 N N 1.940 120.863 118.700 0.371 0.000 2.443 229 N HA 0.230 4.970 4.740 0.000 0.000 0.269 229 N C -0.842 174.843 175.510 0.292 0.000 0.985 229 N CA -0.302 52.926 53.050 0.297 0.000 0.921 229 N CB 1.253 39.857 38.487 0.196 0.000 1.195 229 N HN 0.545 nan 8.380 nan 0.000 0.492 230 D N 1.310 121.900 120.400 0.317 0.000 2.431 230 D HA 0.109 4.749 4.640 0.000 0.000 0.213 230 D C 1.213 177.627 176.300 0.190 0.000 1.130 230 D CA 0.168 54.332 54.000 0.274 0.000 0.834 230 D CB 0.467 41.491 40.800 0.374 0.000 0.985 230 D HN 0.482 nan 8.370 nan 0.000 0.504 231 T N 0.428 115.074 114.554 0.154 0.000 2.684 231 T HA -0.241 4.109 4.350 0.000 0.000 0.267 231 T C 1.401 176.156 174.700 0.093 0.000 1.032 231 T CA 1.468 63.633 62.100 0.108 0.000 1.155 231 T CB -0.045 68.876 68.868 0.088 0.000 0.857 231 T HN 0.282 nan 8.240 nan 0.000 0.457 232 E N -0.106 120.151 120.200 0.095 0.000 2.501 232 E HA 0.193 4.543 4.350 0.000 0.000 0.201 232 E C -0.458 176.192 176.600 0.083 0.000 1.016 232 E CA -0.237 56.209 56.400 0.077 0.000 0.920 232 E CB 0.716 30.454 29.700 0.063 0.000 1.023 232 E HN 0.181 nan 8.360 nan 0.000 0.474 233 V N 3.782 123.760 119.914 0.107 0.000 2.508 233 V HA 0.104 4.224 4.120 0.000 0.000 0.281 233 V C -2.036 174.119 176.094 0.102 0.000 1.041 233 V CA -1.483 60.884 62.300 0.112 0.000 1.016 233 V CB 0.371 32.279 31.823 0.143 0.000 0.984 233 V HN 0.059 nan 8.190 nan 0.000 0.478 234 P HA 0.262 nan 4.420 nan 0.000 0.272 234 P C -0.724 176.620 177.300 0.073 0.000 1.230 234 P CA -0.305 62.838 63.100 0.071 0.000 0.788 234 P CB 0.524 32.262 31.700 0.064 0.000 0.949 235 L N 1.823 123.069 121.223 0.037 0.000 2.307 235 L HA 0.435 4.775 4.340 0.000 0.000 0.282 235 L C 0.487 177.322 176.870 -0.059 0.000 1.051 235 L CA -0.941 53.905 54.840 0.011 0.000 0.804 235 L CB 0.784 42.844 42.059 0.001 0.000 1.197 235 L HN 0.288 nan 8.230 nan 0.000 0.431 236 I N 2.432 122.922 120.570 -0.133 0.000 2.428 236 I HA 0.221 4.391 4.170 0.000 0.000 0.289 236 I C -0.287 175.702 176.117 -0.215 0.000 1.019 236 I CA 0.328 61.448 61.300 -0.301 0.000 1.351 236 I CB 0.709 38.276 38.000 -0.722 0.000 1.412 236 I HN 0.576 nan 8.210 nan 0.000 0.513 237 E N 7.341 127.430 120.200 -0.185 0.000 2.222 237 E HA 0.502 4.852 4.350 0.000 0.000 0.267 237 E C -1.772 174.781 176.600 -0.077 0.000 0.884 237 E CA -0.618 55.680 56.400 -0.171 0.000 0.764 237 E CB 2.098 31.717 29.700 -0.135 0.000 1.169 237 E HN 0.573 nan 8.360 nan 0.000 0.413 238 Y N -1.830 118.387 120.300 -0.139 0.000 2.609 238 Y HA 0.522 5.072 4.550 -0.000 0.000 0.336 238 Y C -0.749 175.079 175.900 -0.120 0.000 1.129 238 Y CA -1.259 56.765 58.100 -0.128 0.000 1.040 238 Y CB 0.856 39.249 38.460 -0.111 0.000 1.310 238 Y HN 0.202 nan 8.280 nan 0.000 0.460 239 S N 2.087 117.765 115.700 -0.036 0.000 2.548 239 S HA 0.404 4.874 4.470 0.000 0.000 0.277 239 S C -1.335 173.097 174.600 -0.279 0.000 1.315 239 S CA -0.348 57.671 58.200 -0.301 0.000 1.050 239 S CB 0.181 63.031 63.200 -0.585 0.000 0.918 239 S HN 0.541 nan 8.310 nan 0.000 0.497 240 F N 3.026 122.716 119.950 -0.435 0.000 2.445 240 F HA 0.398 4.926 4.527 0.001 0.000 0.348 240 F C -0.042 175.562 175.800 -0.326 0.000 1.125 240 F CA -0.826 57.015 58.000 -0.264 0.000 0.983 240 F CB 0.566 39.528 39.000 -0.064 0.000 1.198 240 F HN 0.672 nan 8.300 nan 0.000 0.436 241 Y N 2.745 122.855 120.300 -0.317 0.000 2.286 241 Y HA 0.027 4.577 4.550 0.001 0.000 0.293 241 Y C 1.793 177.612 175.900 -0.134 0.000 1.124 241 Y CA 1.263 59.252 58.100 -0.186 0.000 1.178 241 Y CB -0.656 37.681 38.460 -0.205 0.000 1.010 241 Y HN 0.714 nan 8.280 nan 0.000 0.536 242 S N -0.224 115.370 115.700 -0.177 0.000 3.569 242 S HA -0.310 4.160 4.470 0.000 0.000 0.635 242 S C -0.208 174.427 174.600 0.058 0.000 2.396 242 S CA 0.105 58.335 58.200 0.050 0.000 2.612 242 S CB -1.455 61.910 63.200 0.275 0.000 0.331 242 S HN 0.569 nan 8.310 nan 0.000 1.764 243 D N 1.135 121.593 120.400 0.097 0.000 2.478 243 D HA 0.161 4.801 4.640 0.000 0.000 0.234 243 D C 1.462 177.791 176.300 0.048 0.000 1.154 243 D CA 1.116 55.156 54.000 0.067 0.000 0.874 243 D CB 0.387 41.230 40.800 0.071 0.000 1.198 243 D HN 0.537 nan 8.370 nan 0.000 0.455 244 E N 1.062 121.280 120.200 0.030 0.000 2.147 244 E HA -0.300 4.050 4.350 0.000 0.000 0.199 244 E C 1.653 178.264 176.600 0.019 0.000 1.005 244 E CA 1.556 57.965 56.400 0.015 0.000 0.810 244 E CB -0.015 29.689 29.700 0.007 0.000 0.736 244 E HN 0.579 nan 8.360 nan 0.000 0.460 245 S N 0.352 116.069 115.700 0.028 0.000 2.400 245 S HA -0.147 4.323 4.470 0.000 0.000 0.232 245 S C 1.245 175.868 174.600 0.039 0.000 1.025 245 S CA 0.280 58.498 58.200 0.030 0.000 0.993 245 S CB -0.381 62.840 63.200 0.035 0.000 0.808 245 S HN 0.291 nan 8.310 nan 0.000 0.478 246 L N 2.441 123.695 121.223 0.052 0.000 2.597 246 L HA 0.066 4.406 4.340 0.000 0.000 0.271 246 L C 1.680 178.580 176.870 0.050 0.000 1.157 246 L CA 0.131 55.012 54.840 0.069 0.000 0.928 246 L CB 0.674 42.787 42.059 0.091 0.000 1.216 246 L HN 0.497 nan 8.230 nan 0.000 0.481 247 Q N 4.096 123.931 119.800 0.059 0.000 2.020 247 Q HA -0.105 4.235 4.340 0.000 0.000 0.198 247 Q C -0.475 175.453 176.000 -0.120 0.000 0.974 247 Q CA 1.386 57.179 55.803 -0.017 0.000 0.829 247 Q CB 0.176 28.941 28.738 0.046 0.000 0.894 247 Q HN 0.592 nan 8.270 nan 0.000 0.433 248 Y N 0.821 121.132 120.300 0.018 0.000 2.331 248 Y HA 0.353 4.904 4.550 0.001 0.000 0.338 248 Y C -1.995 173.912 175.900 0.011 0.000 0.992 248 Y CA -2.846 55.262 58.100 0.012 0.000 1.121 248 Y CB 1.229 39.688 38.460 -0.000 0.000 1.184 248 Y HN 0.204 nan 8.280 nan 0.000 0.469 249 P HA 0.005 nan 4.420 nan 0.000 0.267 249 P C -0.807 176.500 177.300 0.012 0.000 1.200 249 P CA -0.406 62.710 63.100 0.027 0.000 0.772 249 P CB 0.679 32.336 31.700 -0.071 0.000 0.855 250 K N 1.186 121.584 120.400 -0.003 0.000 2.218 250 K HA 0.296 4.616 4.320 0.000 0.000 0.276 250 K C -0.519 176.034 176.600 -0.080 0.000 1.022 250 K CA -0.151 56.131 56.287 -0.010 0.000 0.946 250 K CB 0.319 32.844 32.500 0.041 0.000 1.000 250 K HN 0.321 nan 8.250 nan 0.000 0.468 251 T N 3.568 118.061 114.554 -0.101 0.000 2.753 251 T HA 0.221 4.571 4.350 0.000 0.000 0.297 251 T C -0.571 174.001 174.700 -0.213 0.000 0.981 251 T CA -0.657 61.347 62.100 -0.159 0.000 0.956 251 T CB 0.722 69.516 68.868 -0.124 0.000 0.936 251 T HN 0.275 nan 8.240 nan 0.000 0.463 252 V N 5.471 125.162 119.914 -0.372 0.000 2.686 252 V HA 0.409 4.529 4.120 0.000 0.000 0.295 252 V C 0.506 176.352 176.094 -0.413 0.000 1.055 252 V CA -0.290 61.730 62.300 -0.467 0.000 1.050 252 V CB 0.821 32.130 31.823 -0.858 0.000 0.984 252 V HN 0.725 nan 8.190 nan 0.000 0.482 253 R N 2.952 123.332 120.500 -0.200 0.000 2.538 253 R HA 0.760 5.100 4.340 0.000 0.000 0.292 253 R C -1.844 174.474 176.300 0.031 0.000 1.008 253 R CA -0.605 55.433 56.100 -0.102 0.000 0.896 253 R CB 2.331 32.594 30.300 -0.061 0.000 1.187 253 R HN 0.532 nan 8.270 nan 0.000 0.440 254 V N 1.806 121.743 119.914 0.039 0.000 2.733 254 V HA 0.392 4.512 4.120 0.000 0.000 0.306 254 V C -2.577 173.584 176.094 0.112 0.000 1.084 254 V CA -2.635 59.752 62.300 0.145 0.000 0.905 254 V CB 2.148 34.041 31.823 0.118 0.000 1.010 254 V HN 0.610 nan 8.190 nan 0.000 0.424 255 P HA 0.180 nan 4.420 nan 0.000 0.265 255 P C -1.319 176.092 177.300 0.185 0.000 1.222 255 P CA 0.546 63.755 63.100 0.181 0.000 0.767 255 P CB -0.209 31.634 31.700 0.239 0.000 0.801 256 Y N 6.236 126.521 120.300 -0.025 0.000 2.332 256 Y HA 0.428 4.979 4.550 0.001 0.000 0.325 256 Y C -2.723 173.160 175.900 -0.028 0.000 1.054 256 Y CA -2.842 55.197 58.100 -0.102 0.000 1.119 256 Y CB 2.135 40.409 38.460 -0.311 0.000 1.168 256 Y HN 0.294 nan 8.280 nan 0.000 0.439 257 P HA 0.286 nan 4.420 nan 0.000 0.291 257 P C -1.310 176.040 177.300 0.083 0.000 1.340 257 P CA -0.334 62.808 63.100 0.071 0.000 0.799 257 P CB 1.296 33.020 31.700 0.039 0.000 0.917 258 K N 1.945 122.485 120.400 0.232 0.000 2.126 258 K HA 0.558 4.878 4.320 0.000 0.000 0.257 258 K C 0.477 177.180 176.600 0.173 0.000 1.007 258 K CA -0.772 55.669 56.287 0.257 0.000 0.928 258 K CB 0.688 33.363 32.500 0.291 0.000 1.013 258 K HN 0.452 nan 8.250 nan 0.000 0.473 259 A N 1.070 124.013 122.820 0.206 0.000 2.600 259 A HA 0.185 4.505 4.320 0.000 0.000 0.244 259 A C 1.272 178.900 177.584 0.072 0.000 1.016 259 A CA 1.136 53.279 52.037 0.177 0.000 0.778 259 A CB -1.207 17.974 19.000 0.301 0.000 0.920 259 A HN 0.958 nan 8.150 nan 0.000 0.513 260 G N 0.812 109.640 108.800 0.048 0.000 2.189 260 G HA2 0.098 4.058 3.960 0.000 0.000 0.267 260 G HA3 0.098 4.058 3.960 0.000 0.000 0.267 260 G C 0.653 175.566 174.900 0.022 0.000 0.975 260 G CA 0.981 46.084 45.100 0.004 0.000 0.644 260 G HN 2.252 nan 8.290 nan 0.000 0.537 261 A N -0.660 122.191 122.820 0.051 0.000 2.246 261 A HA 0.768 5.088 4.320 0.000 0.000 0.291 261 A C 0.776 178.391 177.584 0.051 0.000 1.103 261 A CA 0.186 52.256 52.037 0.056 0.000 0.844 261 A CB 0.853 19.902 19.000 0.083 0.000 1.136 261 A HN 1.127 nan 8.150 nan 0.000 0.500 262 V N 2.608 122.553 119.914 0.052 0.000 2.485 262 V HA 0.016 4.136 4.120 0.000 0.000 0.287 262 V C 0.311 176.446 176.094 0.068 0.000 1.022 262 V CA -0.104 62.226 62.300 0.050 0.000 1.067 262 V CB -0.420 31.434 31.823 0.050 0.000 0.967 262 V HN 0.777 nan 8.190 nan 0.000 0.479 263 N N 6.678 125.413 118.700 0.060 0.000 2.493 263 N HA 0.408 5.148 4.740 0.000 0.000 0.275 263 N C -2.327 173.256 175.510 0.122 0.000 1.186 263 N CA -1.501 51.603 53.050 0.091 0.000 0.978 263 N CB 0.813 39.336 38.487 0.059 0.000 1.184 263 N HN 0.388 nan 8.380 nan 0.000 0.487 264 P HA 0.052 nan 4.420 nan 0.000 0.269 264 P C -0.370 177.066 177.300 0.228 0.000 1.215 264 P CA -0.079 63.169 63.100 0.246 0.000 0.780 264 P CB 0.253 32.158 31.700 0.341 0.000 0.898 265 T N -1.296 113.372 114.554 0.190 0.000 2.944 265 T HA 0.588 4.938 4.350 0.000 0.000 0.284 265 T C -0.337 174.470 174.700 0.180 0.000 1.010 265 T CA -0.860 61.310 62.100 0.115 0.000 1.025 265 T CB 1.535 70.437 68.868 0.057 0.000 1.079 265 T HN 0.324 nan 8.240 nan 0.000 0.516 266 V N 0.687 120.678 119.914 0.128 0.000 2.841 266 V HA 0.718 4.838 4.120 0.000 0.000 0.310 266 V C -1.389 174.753 176.094 0.080 0.000 1.090 266 V CA -0.816 61.520 62.300 0.060 0.000 0.930 266 V CB 2.012 33.896 31.823 0.103 0.000 1.014 266 V HN 1.055 nan 8.190 nan 0.000 0.425 267 K N 4.588 124.961 120.400 -0.045 0.000 2.340 267 K HA 0.632 4.952 4.320 0.000 0.000 0.244 267 K C -1.878 174.607 176.600 -0.192 0.000 0.973 267 K CA -0.560 55.660 56.287 -0.112 0.000 0.828 267 K CB 2.709 35.092 32.500 -0.195 0.000 1.226 267 K HN 0.569 nan 8.250 nan 0.000 0.437 268 F N 2.224 121.856 119.950 -0.530 0.000 2.539 268 F HA 0.506 5.033 4.527 -0.000 0.000 0.318 268 F C -1.556 173.746 175.800 -0.830 0.000 1.135 268 F CA -0.661 57.025 58.000 -0.524 0.000 0.915 268 F CB 0.784 39.616 39.000 -0.279 0.000 1.176 268 F HN 0.378 nan 8.300 nan 0.000 0.440 269 F N 4.210 123.459 119.950 -1.169 0.000 2.598 269 F HA 0.812 5.339 4.527 -0.000 0.000 0.327 269 F C -0.818 174.278 175.800 -1.174 0.000 1.057 269 F CA -1.214 56.162 58.000 -1.040 0.000 0.957 269 F CB 2.166 40.476 39.000 -1.149 0.000 1.278 269 F HN 0.100 nan 8.300 nan 0.000 0.484 270 V N 2.268 121.896 119.914 -0.477 0.000 2.668 270 V HA 0.531 4.651 4.120 0.000 0.000 0.304 270 V C -1.192 174.911 176.094 0.014 0.000 1.071 270 V CA -0.782 61.281 62.300 -0.396 0.000 0.894 270 V CB 1.747 32.999 31.823 -0.951 0.000 1.008 270 V HN 0.589 nan 8.190 nan 0.000 0.425 271 V N 3.979 123.994 119.914 0.168 0.000 2.680 271 V HA 0.602 4.722 4.120 0.000 0.000 0.309 271 V C -0.441 175.837 176.094 0.307 0.000 1.052 271 V CA -0.561 61.888 62.300 0.247 0.000 0.908 271 V CB 2.158 34.084 31.823 0.172 0.000 1.001 271 V HN 0.932 nan 8.190 nan 0.000 0.431 272 N N 3.452 122.323 118.700 0.284 0.000 2.406 272 N HA 0.152 4.892 4.740 0.000 0.000 0.251 272 N C 1.044 176.549 175.510 -0.008 0.000 1.069 272 N CA 0.581 53.709 53.050 0.129 0.000 0.947 272 N CB 1.743 40.293 38.487 0.105 0.000 1.111 272 N HN 0.911 nan 8.380 nan 0.000 0.497 273 T N -0.047 114.485 114.554 -0.037 0.000 2.985 273 T HA -0.012 4.338 4.350 0.000 0.000 0.266 273 T C 0.887 175.530 174.700 -0.095 0.000 1.076 273 T CA 0.702 62.777 62.100 -0.042 0.000 1.135 273 T CB 0.101 69.029 68.868 0.100 0.000 0.890 273 T HN 0.249 nan 8.240 nan 0.000 0.480 274 D N 2.303 122.633 120.400 -0.117 0.000 2.219 274 D HA -0.024 4.616 4.640 0.000 0.000 0.205 274 D C 1.813 178.054 176.300 -0.099 0.000 0.970 274 D CA 1.408 55.340 54.000 -0.113 0.000 0.851 274 D CB -0.155 40.558 40.800 -0.145 0.000 0.943 274 D HN 0.673 nan 8.370 nan 0.000 0.488 275 S N -0.180 115.462 115.700 -0.097 0.000 2.561 275 S HA 0.197 4.667 4.470 0.000 0.000 0.245 275 S C 0.339 174.884 174.600 -0.092 0.000 1.001 275 S CA -0.662 57.499 58.200 -0.065 0.000 1.002 275 S CB 0.063 63.251 63.200 -0.020 0.000 0.805 275 S HN -0.122 nan 8.310 nan 0.000 0.458 276 L N 2.858 123.964 121.223 -0.195 0.000 2.453 276 L HA 0.416 4.756 4.340 0.000 0.000 0.272 276 L C 0.525 177.244 176.870 -0.251 0.000 1.182 276 L CA 0.384 55.019 54.840 -0.341 0.000 0.858 276 L CB 1.033 42.621 42.059 -0.784 0.000 1.120 276 L HN 0.416 nan 8.230 nan 0.000 0.474 277 S N 0.675 116.317 115.700 -0.096 0.000 2.454 277 S HA 0.381 4.851 4.470 0.000 0.000 0.306 277 S C 0.843 175.602 174.600 0.265 0.000 1.100 277 S CA -0.147 58.097 58.200 0.074 0.000 1.087 277 S CB 1.036 64.275 63.200 0.065 0.000 1.019 277 S HN 0.686 nan 8.310 nan 0.000 0.480 278 S N 3.601 119.500 115.700 0.331 0.000 2.593 278 S HA 0.037 4.507 4.470 0.000 0.000 0.217 278 S C 1.252 175.952 174.600 0.165 0.000 0.966 278 S CA 0.431 58.817 58.200 0.310 0.000 0.914 278 S CB 0.264 63.594 63.200 0.216 0.000 0.776 278 S HN 0.646 nan 8.310 nan 0.000 0.523 279 V N 2.191 122.185 119.914 0.134 0.000 2.627 279 V HA 0.192 4.312 4.120 0.000 0.000 0.239 279 V C 0.933 177.072 176.094 0.075 0.000 1.077 279 V CA 1.573 63.925 62.300 0.087 0.000 1.103 279 V CB 0.194 32.054 31.823 0.062 0.000 0.802 279 V HN 0.700 nan 8.190 nan 0.000 0.482 280 T N -0.234 114.365 114.554 0.074 0.000 2.934 280 T HA 0.407 4.757 4.350 0.000 0.000 0.283 280 T C -0.114 174.633 174.700 0.079 0.000 1.005 280 T CA -0.664 61.466 62.100 0.051 0.000 1.041 280 T CB 0.883 69.770 68.868 0.032 0.000 1.042 280 T HN 0.315 nan 8.240 nan 0.000 0.505 281 N N 1.135 119.863 118.700 0.047 0.000 2.441 281 N HA 0.360 5.100 4.740 0.000 0.000 0.251 281 N C 0.250 175.814 175.510 0.090 0.000 1.242 281 N CA -0.042 53.061 53.050 0.088 0.000 0.898 281 N CB 0.334 38.812 38.487 -0.015 0.000 1.100 281 N HN 0.996 nan 8.380 nan 0.000 0.443 282 A N 1.181 124.074 122.820 0.121 0.000 2.511 282 A HA 0.177 4.497 4.320 0.000 0.000 0.242 282 A C 0.669 178.293 177.584 0.066 0.000 1.069 282 A CA 0.059 52.139 52.037 0.072 0.000 0.763 282 A CB -0.109 18.919 19.000 0.046 0.000 1.001 282 A HN 0.560 nan 8.150 nan 0.000 0.498 283 T N 1.724 116.321 114.554 0.070 0.000 2.744 283 T HA 0.495 4.845 4.350 0.000 0.000 0.291 283 T C -0.127 174.643 174.700 0.116 0.000 0.957 283 T CA -0.332 61.818 62.100 0.083 0.000 1.002 283 T CB 0.080 69.003 68.868 0.092 0.000 0.919 283 T HN 0.498 nan 8.240 nan 0.000 0.468 284 S N 5.977 121.733 115.700 0.093 0.000 2.438 284 S HA 0.467 4.937 4.470 0.000 0.000 0.316 284 S C 0.081 174.815 174.600 0.222 0.000 1.084 284 S CA -0.838 57.435 58.200 0.122 0.000 1.107 284 S CB 0.215 63.388 63.200 -0.045 0.000 0.981 284 S HN 0.657 nan 8.310 nan 0.000 0.466 285 I N 3.442 124.177 120.570 0.275 0.000 2.471 285 I HA 0.205 4.375 4.170 0.000 0.000 0.286 285 I C 0.748 177.004 176.117 0.231 0.000 1.079 285 I CA -0.018 61.465 61.300 0.305 0.000 1.398 285 I CB 0.389 38.683 38.000 0.489 0.000 1.403 285 I HN 0.645 nan 8.210 nan 0.000 0.530 286 Q N 5.888 125.804 119.800 0.194 0.000 2.259 286 Q HA 0.496 4.836 4.340 0.000 0.000 0.249 286 Q C -1.019 174.942 176.000 -0.066 0.000 0.914 286 Q CA -0.537 55.214 55.803 -0.088 0.000 0.904 286 Q CB 1.395 30.043 28.738 -0.149 0.000 1.213 286 Q HN 0.544 nan 8.270 nan 0.000 0.428 287 I N 3.751 124.250 120.570 -0.117 0.000 2.359 287 I HA 0.178 4.348 4.170 0.000 0.000 0.284 287 I C 0.297 176.406 176.117 -0.014 0.000 1.018 287 I CA -0.662 60.639 61.300 0.002 0.000 1.173 287 I CB 1.460 39.500 38.000 0.066 0.000 1.326 287 I HN 0.661 nan 8.210 nan 0.000 0.462 288 T N 3.011 117.515 114.554 -0.083 0.000 2.898 288 T HA 0.576 4.926 4.350 0.000 0.000 0.301 288 T C 0.510 174.996 174.700 -0.357 0.000 1.049 288 T CA -0.798 61.190 62.100 -0.186 0.000 1.095 288 T CB 1.439 70.205 68.868 -0.171 0.000 0.976 288 T HN 0.575 nan 8.240 nan 0.000 0.539 289 A N 3.497 125.875 122.820 -0.736 0.000 2.448 289 A HA 0.524 4.844 4.320 0.000 0.000 0.239 289 A C -2.076 175.008 177.584 -0.833 0.000 1.080 289 A CA -1.350 49.812 52.037 -1.458 0.000 0.779 289 A CB -0.941 16.923 19.000 -1.893 0.000 1.026 289 A HN 0.749 nan 8.150 nan 0.000 0.499 290 P HA 0.192 nan 4.420 nan 0.000 0.270 290 P C 0.742 177.826 177.300 -0.359 0.000 1.223 290 P CA 0.619 63.474 63.100 -0.409 0.000 0.785 290 P CB 0.583 32.111 31.700 -0.287 0.000 0.923 291 A N 1.865 124.550 122.820 -0.224 0.000 1.978 291 A HA -0.183 4.137 4.320 0.000 0.000 0.220 291 A C 2.016 179.506 177.584 -0.158 0.000 1.170 291 A CA 2.211 54.141 52.037 -0.178 0.000 0.636 291 A CB -1.740 17.189 19.000 -0.119 0.000 0.810 291 A HN 0.617 nan 8.150 nan 0.000 0.448 292 S N -1.479 114.148 115.700 -0.121 0.000 2.507 292 S HA -0.016 4.454 4.470 0.000 0.000 0.235 292 S C 1.624 176.178 174.600 -0.078 0.000 0.988 292 S CA 1.299 59.464 58.200 -0.058 0.000 0.944 292 S CB -0.214 63.031 63.200 0.074 0.000 0.762 292 S HN 0.416 nan 8.310 nan 0.000 0.526 293 M N 0.512 119.982 119.600 -0.215 0.000 2.657 293 M HA 0.377 4.857 4.480 0.000 0.000 0.262 293 M C 1.811 177.868 176.300 -0.405 0.000 1.213 293 M CA 0.613 55.715 55.300 -0.330 0.000 1.182 293 M CB -0.976 31.265 32.600 -0.597 0.000 1.303 293 M HN 0.311 nan 8.290 nan 0.000 0.501 294 L N 1.139 122.117 121.223 -0.407 0.000 2.456 294 L HA -0.100 4.240 4.340 0.000 0.000 0.224 294 L C 2.185 178.995 176.870 -0.099 0.000 1.148 294 L CA 0.502 55.188 54.840 -0.257 0.000 0.825 294 L CB -0.778 41.137 42.059 -0.240 0.000 0.937 294 L HN 0.298 nan 8.230 nan 0.000 0.450 295 I N -2.885 117.627 120.570 -0.095 0.000 3.001 295 I HA 0.165 4.335 4.170 0.000 0.000 0.268 295 I C 1.069 177.172 176.117 -0.025 0.000 1.267 295 I CA 0.488 61.753 61.300 -0.058 0.000 1.472 295 I CB -0.442 37.516 38.000 -0.070 0.000 1.089 295 I HN 0.067 nan 8.210 nan 0.000 0.468 296 G N -0.127 108.679 108.800 0.010 0.000 2.634 296 G HA2 0.272 4.232 3.960 0.000 0.000 0.309 296 G HA3 0.272 4.232 3.960 0.000 0.000 0.309 296 G C -1.834 173.119 174.900 0.089 0.000 1.299 296 G CA -0.644 44.472 45.100 0.027 0.000 0.798 296 G HN 0.001 nan 8.290 nan 0.000 0.490 297 D N 1.275 121.676 120.400 0.002 0.000 2.443 297 D HA 0.412 5.052 4.640 0.000 0.000 0.239 297 D C 0.410 176.654 176.300 -0.094 0.000 1.136 297 D CA 0.772 54.710 54.000 -0.102 0.000 0.879 297 D CB 0.396 41.105 40.800 -0.153 0.000 1.195 297 D HN 0.548 nan 8.370 nan 0.000 0.443 298 H N -0.783 118.155 119.070 -0.221 0.000 2.960 298 H HA 0.439 4.995 4.556 0.000 0.000 0.323 298 H C -1.372 173.819 175.328 -0.228 0.000 1.326 298 H CA -0.820 55.111 56.048 -0.196 0.000 1.124 298 H CB 0.328 30.089 29.762 -0.002 0.000 1.853 298 H HN 0.282 nan 8.280 nan 0.000 0.536 299 Y N 0.061 120.590 120.300 0.381 0.000 2.536 299 Y HA 0.403 4.953 4.550 -0.000 0.000 0.347 299 Y C -0.315 175.874 175.900 0.482 0.000 1.000 299 Y CA -1.161 57.164 58.100 0.375 0.000 1.051 299 Y CB 2.034 40.564 38.460 0.117 0.000 1.259 299 Y HN 0.492 nan 8.280 nan 0.000 0.468 300 L N 3.019 124.605 121.223 0.605 0.000 2.257 300 L HA 0.416 4.756 4.340 0.000 0.000 0.290 300 L C 0.326 177.235 176.870 0.065 0.000 1.044 300 L CA -0.267 54.597 54.840 0.039 0.000 0.810 300 L CB 0.425 42.379 42.059 -0.174 0.000 1.193 300 L HN 0.970 nan 8.230 nan 0.000 0.425 301 C N 0.798 119.986 119.300 -0.188 0.000 3.392 301 C HA 0.602 5.062 4.460 0.000 0.000 0.301 301 C C 0.199 174.974 174.990 -0.359 0.000 1.354 301 C CA -0.218 58.609 59.018 -0.318 0.000 1.732 301 C CB -1.149 26.470 27.740 -0.201 0.000 2.269 301 C HN 0.876 nan 8.230 nan 0.000 0.673 302 D N -0.175 120.038 120.400 -0.311 0.000 2.886 302 D HA 0.558 5.198 4.640 0.000 0.000 0.216 302 D C -1.494 174.519 176.300 -0.478 0.000 1.256 302 D CA -0.135 53.713 54.000 -0.254 0.000 0.844 302 D CB 2.219 42.873 40.800 -0.242 0.000 1.669 302 D HN 0.020 nan 8.370 nan 0.000 0.513 303 V N 2.681 122.266 119.914 -0.547 0.000 2.531 303 V HA 0.720 4.840 4.120 0.000 0.000 0.301 303 V C -0.495 175.229 176.094 -0.616 0.000 1.034 303 V CA -0.432 61.309 62.300 -0.932 0.000 0.865 303 V CB 1.940 32.643 31.823 -1.866 0.000 0.995 303 V HN 0.721 nan 8.190 nan 0.000 0.424 304 T N 3.594 117.860 114.554 -0.479 0.000 3.109 304 T HA 0.327 4.677 4.350 0.000 0.000 0.311 304 T C -1.048 173.533 174.700 -0.199 0.000 1.011 304 T CA -0.458 61.526 62.100 -0.195 0.000 1.026 304 T CB 0.824 69.639 68.868 -0.087 0.000 1.047 304 T HN 0.536 nan 8.240 nan 0.000 0.448 305 W N 2.452 123.709 121.300 -0.071 0.000 2.304 305 W HA 0.498 5.158 4.660 -0.000 0.000 0.313 305 W C 1.150 177.561 176.519 -0.180 0.000 1.323 305 W CA -0.397 56.898 57.345 -0.082 0.000 1.223 305 W CB 0.644 30.134 29.460 0.049 0.000 1.237 305 W HN 0.879 nan 8.180 nan 0.000 0.535 306 A N 2.377 125.072 122.820 -0.208 0.000 1.871 306 A HA 0.129 4.449 4.320 0.000 0.000 0.211 306 A C 1.092 178.611 177.584 -0.109 0.000 1.207 306 A CA 1.732 53.395 52.037 -0.623 0.000 0.620 306 A CB -0.504 17.637 19.000 -1.432 0.000 0.860 306 A HN 0.540 nan 8.150 nan 0.000 0.450 307 T N -5.560 109.027 114.554 0.055 0.000 2.591 307 T HA 0.344 4.694 4.350 0.000 0.000 0.274 307 T C 0.330 175.178 174.700 0.247 0.000 0.945 307 T CA -0.330 61.853 62.100 0.139 0.000 1.087 307 T CB 0.527 69.458 68.868 0.106 0.000 1.416 307 T HN 0.000 nan 8.240 nan 0.000 0.514 308 Q N 0.308 120.229 119.800 0.202 0.000 2.297 308 Q HA 0.114 4.454 4.340 0.000 0.000 0.204 308 Q C 0.784 177.023 176.000 0.400 0.000 0.962 308 Q CA 1.257 57.191 55.803 0.218 0.000 0.879 308 Q CB 0.017 28.847 28.738 0.153 0.000 0.947 308 Q HN 0.792 nan 8.270 nan 0.000 0.462 309 E N -0.148 120.283 120.200 0.385 0.000 2.810 309 E HA 0.169 4.519 4.350 0.000 0.000 0.214 309 E C -0.221 176.592 176.600 0.355 0.000 0.980 309 E CA -0.151 56.492 56.400 0.405 0.000 1.159 309 E CB 1.075 30.968 29.700 0.322 0.000 1.047 309 E HN -0.039 nan 8.360 nan 0.000 0.484 310 R N 1.596 122.295 120.500 0.330 0.000 2.532 310 R HA 0.543 4.883 4.340 0.000 0.000 0.297 310 R C -1.741 174.536 176.300 -0.038 0.000 0.984 310 R CA -0.489 55.687 56.100 0.126 0.000 0.884 310 R CB 1.280 31.582 30.300 0.003 0.000 1.182 310 R HN 0.069 nan 8.270 nan 0.000 0.442 311 I N 3.365 123.771 120.570 -0.273 0.000 2.545 311 I HA 0.385 4.555 4.170 0.000 0.000 0.292 311 I C -0.842 174.985 176.117 -0.483 0.000 1.040 311 I CA -0.493 60.429 61.300 -0.630 0.000 1.068 311 I CB 2.190 39.449 38.000 -1.235 0.000 1.251 311 I HN 0.858 nan 8.210 nan 0.000 0.424 312 S N 7.536 122.952 115.700 -0.474 0.000 2.489 312 S HA 0.743 5.213 4.470 0.000 0.000 0.291 312 S C -0.974 173.320 174.600 -0.510 0.000 1.151 312 S CA -0.685 57.295 58.200 -0.366 0.000 1.082 312 S CB 1.623 64.710 63.200 -0.188 0.000 1.019 312 S HN 0.442 nan 8.310 nan 0.000 0.492 313 L N 2.324 123.247 121.223 -0.501 0.000 2.386 313 L HA 0.539 4.879 4.340 0.000 0.000 0.271 313 L C -0.175 176.355 176.870 -0.567 0.000 0.993 313 L CA -0.194 54.221 54.840 -0.708 0.000 0.819 313 L CB 1.898 43.462 42.059 -0.825 0.000 1.294 313 L HN 0.833 nan 8.230 nan 0.000 0.414 314 Q N 1.930 121.344 119.800 -0.644 0.000 2.312 314 Q HA 0.513 4.853 4.340 0.000 0.000 0.263 314 Q C -1.676 174.023 176.000 -0.502 0.000 0.995 314 Q CA -0.462 55.087 55.803 -0.423 0.000 0.853 314 Q CB 2.173 30.730 28.738 -0.301 0.000 1.300 314 Q HN 0.510 nan 8.270 nan 0.000 0.448 315 W N 2.489 123.714 121.300 -0.126 0.000 2.761 315 W HA 0.625 5.285 4.660 -0.000 0.000 0.340 315 W C -0.909 175.612 176.519 0.003 0.000 1.072 315 W CA -0.498 56.823 57.345 -0.041 0.000 1.215 315 W CB 1.294 30.709 29.460 -0.075 0.000 1.420 315 W HN 0.298 nan 8.180 nan 0.000 0.519 316 L N 3.370 124.802 121.223 0.348 0.000 2.381 316 L HA 0.529 4.869 4.340 0.000 0.000 0.274 316 L C 0.282 177.347 176.870 0.326 0.000 0.988 316 L CA -1.093 53.916 54.840 0.283 0.000 0.824 316 L CB 1.413 43.633 42.059 0.269 0.000 1.263 316 L HN 0.474 nan 8.230 nan 0.000 0.410 317 R N 2.085 122.741 120.500 0.260 0.000 2.738 317 R HA 0.078 4.418 4.340 0.000 0.000 0.268 317 R C 0.947 177.330 176.300 0.139 0.000 1.062 317 R CA -0.197 56.014 56.100 0.186 0.000 1.158 317 R CB 0.712 31.114 30.300 0.170 0.000 1.046 317 R HN 0.601 nan 8.270 nan 0.000 0.493 318 R N 1.189 121.684 120.500 -0.007 0.000 2.096 318 R HA -0.090 4.250 4.340 0.000 0.000 0.235 318 R C 0.276 176.638 176.300 0.104 0.000 1.127 318 R CA 1.240 57.320 56.100 -0.034 0.000 0.968 318 R CB -0.050 30.173 30.300 -0.128 0.000 0.861 318 R HN 0.426 nan 8.270 nan 0.000 0.440 319 I N 2.259 122.873 120.570 0.073 0.000 2.406 319 I HA -0.015 4.155 4.170 0.000 0.000 0.293 319 I C 0.431 176.613 176.117 0.108 0.000 1.101 319 I CA 0.497 61.842 61.300 0.074 0.000 1.334 319 I CB 1.384 39.412 38.000 0.046 0.000 1.421 319 I HN 0.135 nan 8.210 nan 0.000 0.513 320 Q N 4.905 124.766 119.800 0.101 0.000 2.292 320 Q HA 0.003 4.343 4.340 0.000 0.000 0.235 320 Q C 0.559 176.639 176.000 0.134 0.000 0.910 320 Q CA -0.013 55.863 55.803 0.121 0.000 0.952 320 Q CB -0.344 28.425 28.738 0.052 0.000 1.089 320 Q HN 0.669 nan 8.270 nan 0.000 0.431 321 N N -0.741 118.038 118.700 0.132 0.000 2.204 321 N HA -0.045 4.695 4.740 0.000 0.000 0.219 321 N C -1.024 174.592 175.510 0.177 0.000 1.151 321 N CA -0.169 52.949 53.050 0.113 0.000 0.867 321 N CB 0.326 38.852 38.487 0.065 0.000 1.043 321 N HN 0.183 nan 8.380 nan 0.000 0.516 322 Y N 1.090 121.412 120.300 0.036 0.000 2.330 322 Y HA 0.506 5.056 4.550 -0.000 0.000 0.324 322 Y C -1.289 174.640 175.900 0.049 0.000 1.093 322 Y CA -0.913 57.205 58.100 0.031 0.000 1.103 322 Y CB 1.341 39.813 38.460 0.019 0.000 1.183 322 Y HN 0.160 nan 8.280 nan 0.000 0.433 323 S N 4.344 119.843 115.700 -0.334 0.000 2.569 323 S HA 0.926 5.396 4.470 0.000 0.000 0.280 323 S C -1.882 172.515 174.600 -0.338 0.000 1.111 323 S CA -0.744 57.333 58.200 -0.205 0.000 0.887 323 S CB 1.944 65.099 63.200 -0.075 0.000 1.095 323 S HN 0.451 nan 8.310 nan 0.000 0.476 324 V N 2.832 122.657 119.914 -0.148 0.000 2.735 324 V HA 0.578 4.698 4.120 0.000 0.000 0.310 324 V C -0.498 175.582 176.094 -0.023 0.000 1.061 324 V CA -0.742 61.493 62.300 -0.108 0.000 0.913 324 V CB 1.948 33.739 31.823 -0.053 0.000 1.005 324 V HN 1.028 nan 8.190 nan 0.000 0.428 325 M N 3.321 122.892 119.600 -0.050 0.000 2.167 325 M HA 0.495 4.975 4.480 0.000 0.000 0.333 325 M C -1.255 175.037 176.300 -0.013 0.000 1.030 325 M CA -0.463 54.788 55.300 -0.081 0.000 0.963 325 M CB 1.094 33.572 32.600 -0.204 0.000 1.589 325 M HN 0.608 nan 8.290 nan 0.000 0.431 326 D N 4.734 125.132 120.400 -0.004 0.000 2.210 326 D HA 0.418 5.058 4.640 0.000 0.000 0.249 326 D C -1.009 175.255 176.300 -0.060 0.000 1.078 326 D CA 0.024 54.026 54.000 0.002 0.000 0.875 326 D CB 1.270 42.103 40.800 0.055 0.000 1.175 326 D HN 0.505 nan 8.370 nan 0.000 0.440 327 I N 2.760 123.323 120.570 -0.012 0.000 2.330 327 I HA 0.202 4.372 4.170 0.000 0.000 0.289 327 I C -0.540 175.572 176.117 -0.008 0.000 1.001 327 I CA -0.286 60.999 61.300 -0.025 0.000 1.193 327 I CB 1.018 39.049 38.000 0.051 0.000 1.345 327 I HN 0.273 nan 8.210 nan 0.000 0.461 328 c N 4.655 123.235 118.600 -0.033 0.000 2.301 328 c HA 0.500 5.070 4.570 0.000 0.000 0.323 328 c C -0.358 173.859 174.090 0.212 0.000 1.265 328 c CA -0.942 55.435 56.329 0.081 0.000 1.503 328 c CB 0.146 42.682 42.510 0.042 0.000 2.195 328 c HN 0.586 nan 8.230 nan 0.000 0.477 329 D N 0.996 121.503 120.400 0.177 0.000 2.193 329 D HA 0.231 4.871 4.640 0.000 0.000 0.249 329 D C -0.478 175.777 176.300 -0.074 0.000 1.034 329 D CA -0.160 53.907 54.000 0.111 0.000 0.902 329 D CB 0.980 41.801 40.800 0.034 0.000 1.182 329 D HN 0.594 nan 8.370 nan 0.000 0.436 330 Y N 1.401 121.458 120.300 -0.406 0.000 2.335 330 Y HA 0.199 4.749 4.550 0.000 0.000 0.331 330 Y C -0.244 175.382 175.900 -0.457 0.000 1.094 330 Y CA -0.262 57.283 58.100 -0.925 0.000 1.253 330 Y CB 0.741 38.668 38.460 -0.888 0.000 1.203 330 Y HN 0.129 nan 8.280 nan 0.000 0.508 331 D N 4.700 124.439 120.400 -1.102 0.000 2.303 331 D HA 0.164 4.804 4.640 0.000 0.000 0.236 331 D C 0.055 175.765 176.300 -0.982 0.000 1.068 331 D CA -0.204 53.345 54.000 -0.752 0.000 0.830 331 D CB 1.292 41.833 40.800 -0.431 0.000 1.109 331 D HN 0.820 nan 8.370 nan 0.000 0.496 332 E N 1.001 120.850 120.200 -0.585 0.000 2.371 332 E HA -0.016 4.334 4.350 0.000 0.000 0.194 332 E C 1.447 177.928 176.600 -0.199 0.000 1.012 332 E CA 0.256 56.443 56.400 -0.354 0.000 0.860 332 E CB 0.397 30.027 29.700 -0.116 0.000 0.811 332 E HN 0.315 nan 8.360 nan 0.000 0.502 333 S N 0.242 115.829 115.700 -0.188 0.000 2.406 333 S HA -0.097 4.373 4.470 0.000 0.000 0.228 333 S C 2.014 176.551 174.600 -0.105 0.000 1.020 333 S CA 1.306 59.438 58.200 -0.114 0.000 0.965 333 S CB 0.082 63.224 63.200 -0.096 0.000 0.798 333 S HN 0.317 nan 8.310 nan 0.000 0.488 334 S N -0.781 114.825 115.700 -0.157 0.000 2.554 334 S HA 0.455 4.925 4.470 0.000 0.000 0.227 334 S C 1.431 175.974 174.600 -0.095 0.000 1.050 334 S CA 0.505 58.641 58.200 -0.108 0.000 0.927 334 S CB 0.239 63.378 63.200 -0.101 0.000 0.859 334 S HN 0.695 nan 8.310 nan 0.000 0.494 335 G N 2.043 110.716 108.800 -0.211 0.000 2.160 335 G HA2 -0.219 3.741 3.960 0.000 0.000 0.251 335 G HA3 -0.219 3.741 3.960 0.000 0.000 0.251 335 G C 0.088 174.972 174.900 -0.026 0.000 1.008 335 G CA 0.116 45.167 45.100 -0.083 0.000 0.724 335 G HN 0.492 nan 8.290 nan 0.000 0.514 336 R N -1.325 119.063 120.500 -0.186 0.000 2.797 336 R HA 0.569 4.909 4.340 0.000 0.000 0.251 336 R C -0.470 175.747 176.300 -0.138 0.000 1.107 336 R CA -0.716 55.374 56.100 -0.017 0.000 1.084 336 R CB 0.901 31.201 30.300 -0.001 0.000 1.205 336 R HN 0.236 nan 8.270 nan 0.000 0.515 337 W N 1.273 122.586 121.300 0.021 0.000 2.475 337 W HA 0.351 5.011 4.660 0.000 0.000 0.317 337 W C -0.592 175.912 176.519 -0.026 0.000 1.046 337 W CA -0.500 56.848 57.345 0.005 0.000 1.215 337 W CB 1.418 30.884 29.460 0.010 0.000 1.335 337 W HN 0.477 nan 8.180 nan 0.000 0.471 338 N N 2.431 121.203 118.700 0.120 0.000 2.392 338 N HA 0.353 5.093 4.740 0.000 0.000 0.283 338 N C -1.162 174.393 175.510 0.075 0.000 1.003 338 N CA -0.481 52.607 53.050 0.062 0.000 0.892 338 N CB 1.386 39.870 38.487 -0.005 0.000 1.193 338 N HN 0.087 nan 8.380 nan 0.000 0.487 339 c N 3.468 122.098 118.600 0.050 0.000 2.242 339 c HA 0.281 4.851 4.570 0.000 0.000 0.317 339 c C 0.214 174.310 174.090 0.009 0.000 1.087 339 c CA -1.097 55.249 56.329 0.030 0.000 1.535 339 c CB -1.102 41.417 42.510 0.015 0.000 1.893 339 c HN 0.593 nan 8.230 nan 0.000 0.426 340 L N 3.027 124.258 121.223 0.013 0.000 2.601 340 L HA -0.014 4.326 4.340 0.000 0.000 0.277 340 L C 1.580 178.447 176.870 -0.005 0.000 1.219 340 L CA 0.815 55.656 54.840 0.002 0.000 0.915 340 L CB 0.384 42.449 42.059 0.009 0.000 1.160 340 L HN 0.595 nan 8.230 nan 0.000 0.494 341 V N 4.808 124.711 119.914 -0.019 0.000 2.469 341 V HA -0.303 3.817 4.120 0.000 0.000 0.251 341 V C 2.348 178.424 176.094 -0.031 0.000 1.064 341 V CA 1.877 64.160 62.300 -0.028 0.000 1.066 341 V CB -0.678 31.125 31.823 -0.034 0.000 0.667 341 V HN 0.988 nan 8.190 nan 0.000 0.461 342 A N -0.500 122.304 122.820 -0.026 0.000 2.019 342 A HA -0.165 4.155 4.320 0.000 0.000 0.219 342 A C 2.313 179.869 177.584 -0.046 0.000 1.164 342 A CA 1.298 53.313 52.037 -0.036 0.000 0.644 342 A CB -0.421 18.564 19.000 -0.024 0.000 0.805 342 A HN 0.500 nan 8.150 nan 0.000 0.449 343 R N -0.327 120.166 120.500 -0.011 0.000 2.310 343 R HA 0.087 4.427 4.340 0.000 0.000 0.202 343 R C -0.021 176.313 176.300 0.057 0.000 0.933 343 R CA -0.091 56.031 56.100 0.037 0.000 1.054 343 R CB 0.079 30.434 30.300 0.092 0.000 0.985 343 R HN 0.654 nan 8.270 nan 0.000 0.489 344 Q N 0.443 120.234 119.800 -0.016 0.000 2.337 344 Q HA 0.010 4.350 4.340 0.000 0.000 0.270 344 Q C -0.869 175.069 176.000 -0.103 0.000 1.002 344 Q CA 0.666 56.468 55.803 -0.002 0.000 0.888 344 Q CB 0.672 29.392 28.738 -0.030 0.000 1.222 344 Q HN 0.167 nan 8.270 nan 0.000 0.400 345 H N 1.353 120.383 119.070 -0.065 0.000 2.539 345 H HA 0.385 4.941 4.556 -0.000 0.000 0.332 345 H C -0.673 174.577 175.328 -0.129 0.000 1.031 345 H CA -0.394 55.603 56.048 -0.085 0.000 1.206 345 H CB 0.780 30.453 29.762 -0.149 0.000 1.446 345 H HN 0.445 nan 8.280 nan 0.000 0.496 346 I N 2.329 122.872 120.570 -0.045 0.000 2.396 346 I HA 0.195 4.365 4.170 0.000 0.000 0.292 346 I C 0.160 176.208 176.117 -0.114 0.000 0.999 346 I CA -0.086 61.122 61.300 -0.154 0.000 1.310 346 I CB 1.070 38.986 38.000 -0.140 0.000 1.404 346 I HN 0.568 nan 8.210 nan 0.000 0.496 347 E N 8.296 128.377 120.200 -0.199 0.000 2.244 347 E HA 0.557 4.907 4.350 0.000 0.000 0.260 347 E C -1.227 175.292 176.600 -0.135 0.000 0.884 347 E CA -0.682 55.654 56.400 -0.105 0.000 0.777 347 E CB 1.446 31.103 29.700 -0.070 0.000 1.197 347 E HN 0.637 nan 8.360 nan 0.000 0.416 348 M N 1.376 120.949 119.600 -0.046 0.000 2.704 348 M HA 0.674 5.154 4.480 0.000 0.000 0.284 348 M C -1.268 175.043 176.300 0.018 0.000 1.275 348 M CA -0.893 54.414 55.300 0.012 0.000 0.811 348 M CB 2.360 35.032 32.600 0.121 0.000 1.741 348 M HN 0.237 nan 8.290 nan 0.000 0.458 349 S N -0.558 115.153 115.700 0.018 0.000 2.572 349 S HA 0.478 4.948 4.470 0.000 0.000 0.274 349 S C 0.163 174.740 174.600 -0.038 0.000 1.150 349 S CA 0.002 58.182 58.200 -0.033 0.000 0.944 349 S CB 1.686 64.819 63.200 -0.112 0.000 1.071 349 S HN 0.923 nan 8.310 nan 0.000 0.479 350 T N 0.316 114.848 114.554 -0.037 0.000 3.054 350 T HA 0.033 4.383 4.350 0.000 0.000 0.259 350 T C 1.525 176.186 174.700 -0.065 0.000 1.092 350 T CA 1.144 63.225 62.100 -0.033 0.000 1.121 350 T CB -0.447 68.411 68.868 -0.016 0.000 0.912 350 T HN 0.705 nan 8.240 nan 0.000 0.489 351 T N -2.166 112.323 114.554 -0.108 0.000 3.001 351 T HA 0.613 4.963 4.350 0.000 0.000 0.251 351 T C 1.015 175.483 174.700 -0.386 0.000 1.040 351 T CA 0.249 62.271 62.100 -0.130 0.000 0.985 351 T CB 0.509 69.380 68.868 0.007 0.000 1.011 351 T HN 0.626 nan 8.240 nan 0.000 0.509 352 G N 0.421 108.828 108.800 -0.656 0.000 2.604 352 G HA2 0.478 4.438 3.960 0.000 0.000 0.242 352 G HA3 0.478 4.438 3.960 0.000 0.000 0.242 352 G C -1.665 172.968 174.900 -0.445 0.000 1.208 352 G CA -0.654 43.895 45.100 -0.919 0.000 0.912 352 G HN 0.473 nan 8.290 nan 0.000 0.502 353 W N -0.314 120.760 121.300 -0.377 0.000 2.260 353 W HA 0.745 5.405 4.660 0.000 0.000 0.366 353 W C 0.013 176.484 176.519 -0.080 0.000 1.315 353 W CA -1.143 56.097 57.345 -0.174 0.000 1.458 353 W CB 0.807 30.158 29.460 -0.182 0.000 1.255 353 W HN 0.500 nan 8.180 nan 0.000 0.671 354 V N 2.910 122.892 119.914 0.114 0.000 2.427 354 V HA 0.796 4.916 4.120 0.000 0.000 0.286 354 V C 0.375 176.531 176.094 0.103 0.000 1.034 354 V CA 0.372 62.689 62.300 0.028 0.000 0.893 354 V CB 0.284 32.119 31.823 0.020 0.000 0.982 354 V HN 1.754 nan 8.190 nan 0.000 0.452 355 G N 6.083 114.900 108.800 0.029 0.000 2.795 355 G HA2 -0.197 3.763 3.960 0.000 0.000 0.664 355 G HA3 -0.197 3.763 3.960 0.000 0.000 0.664 355 G C 0.212 175.188 174.900 0.127 0.000 1.381 355 G CA 0.258 45.404 45.100 0.077 0.000 0.853 355 G HN 0.933 nan 8.290 nan 0.000 0.545 356 R N -0.761 119.820 120.500 0.134 0.000 2.061 356 R HA 0.120 4.460 4.340 0.000 0.000 0.230 356 R C 2.042 178.357 176.300 0.025 0.000 1.140 356 R CA 2.222 58.375 56.100 0.089 0.000 0.940 356 R CB -0.120 30.257 30.300 0.127 0.000 0.839 356 R HN 0.485 nan 8.270 nan 0.000 0.429 357 F N -0.899 119.180 119.950 0.216 0.000 2.784 357 F HA 0.272 4.799 4.527 -0.000 0.000 0.323 357 F C 0.610 176.430 175.800 0.034 0.000 1.085 357 F CA -0.506 57.570 58.000 0.125 0.000 1.196 357 F CB 0.761 39.828 39.000 0.112 0.000 1.053 357 F HN -0.085 nan 8.300 nan 0.000 0.578 358 R N -0.361 120.266 120.500 0.211 0.000 2.709 358 R HA 0.379 4.719 4.340 0.000 0.000 0.270 358 R C -3.450 172.892 176.300 0.070 0.000 1.038 358 R CA -1.711 54.435 56.100 0.077 0.000 0.872 358 R CB 0.556 30.840 30.300 -0.027 0.000 1.259 358 R HN -0.331 nan 8.270 nan 0.000 0.473 359 P HA -0.038 nan 4.420 nan 0.000 0.265 359 P C -0.151 177.150 177.300 0.002 0.000 1.187 359 P CA 0.205 63.306 63.100 0.000 0.000 0.766 359 P CB 0.736 32.406 31.700 -0.049 0.000 0.820 360 S N 1.886 117.602 115.700 0.027 0.000 2.576 360 S HA 0.051 4.521 4.470 0.000 0.000 0.272 360 S C 0.219 174.821 174.600 0.002 0.000 1.352 360 S CA -0.527 57.705 58.200 0.053 0.000 1.021 360 S CB 0.002 63.256 63.200 0.090 0.000 0.887 360 S HN 0.473 nan 8.310 nan 0.000 0.542 361 E N 3.821 124.040 120.200 0.032 0.000 2.266 361 E HA 0.425 4.775 4.350 0.000 0.000 0.277 361 E C -2.782 173.782 176.600 -0.059 0.000 1.018 361 E CA -2.303 54.068 56.400 -0.047 0.000 0.840 361 E CB 0.634 30.315 29.700 -0.032 0.000 1.082 361 E HN 0.338 nan 8.360 nan 0.000 0.395 362 P HA 0.220 nan 4.420 nan 0.000 0.277 362 P C -0.691 176.456 177.300 -0.255 0.000 1.240 362 P CA -0.256 62.672 63.100 -0.287 0.000 0.798 362 P CB 0.699 31.886 31.700 -0.856 0.000 0.979 363 H N 1.740 120.805 119.070 -0.009 0.000 2.792 363 H HA 0.289 4.845 4.556 -0.000 0.000 0.298 363 H C -0.391 175.047 175.328 0.185 0.000 1.042 363 H CA -0.344 55.788 56.048 0.140 0.000 1.300 363 H CB 0.228 30.103 29.762 0.188 0.000 1.431 363 H HN 0.315 nan 8.280 nan 0.000 0.496 364 F N 2.136 122.261 119.950 0.292 0.000 2.412 364 F HA 0.038 4.565 4.527 -0.000 0.000 0.348 364 F C 1.518 177.497 175.800 0.299 0.000 1.102 364 F CA -0.436 57.739 58.000 0.291 0.000 1.196 364 F CB 0.998 40.103 39.000 0.175 0.000 1.144 364 F HN 0.363 nan 8.300 nan 0.000 0.541 365 T N 1.332 116.181 114.554 0.491 0.000 2.900 365 T HA 0.059 4.409 4.350 0.000 0.000 0.307 365 T C 1.183 176.074 174.700 0.319 0.000 1.065 365 T CA -0.791 61.537 62.100 0.380 0.000 1.105 365 T CB 0.816 69.889 68.868 0.342 0.000 0.979 365 T HN 0.619 nan 8.240 nan 0.000 0.544 366 L N 1.526 122.891 121.223 0.236 0.000 2.021 366 L HA -0.178 4.162 4.340 0.000 0.000 0.215 366 L C 2.455 179.426 176.870 0.167 0.000 1.074 366 L CA 2.446 57.397 54.840 0.185 0.000 0.760 366 L CB -0.780 41.363 42.059 0.141 0.000 0.889 366 L HN 0.951 nan 8.230 nan 0.000 0.433 367 D N -1.738 118.760 120.400 0.164 0.000 2.348 367 D HA -0.067 4.573 4.640 0.000 0.000 0.216 367 D C 1.572 177.963 176.300 0.152 0.000 0.970 367 D CA 0.886 54.970 54.000 0.140 0.000 0.889 367 D CB -0.310 40.564 40.800 0.124 0.000 0.912 367 D HN 0.486 nan 8.370 nan 0.000 0.524 368 G N 1.465 110.394 108.800 0.216 0.000 2.168 368 G HA2 -0.303 3.657 3.960 0.000 0.000 0.257 368 G HA3 -0.303 3.657 3.960 0.000 0.000 0.257 368 G C 0.690 175.767 174.900 0.294 0.000 0.997 368 G CA 0.326 45.568 45.100 0.237 0.000 0.708 368 G HN 0.352 nan 8.290 nan 0.000 0.520 369 N N -0.010 118.842 118.700 0.252 0.000 2.280 369 N HA 0.217 4.957 4.740 0.000 0.000 0.192 369 N C 0.383 175.994 175.510 0.167 0.000 1.109 369 N CA 0.882 54.051 53.050 0.197 0.000 0.855 369 N CB 0.596 39.159 38.487 0.128 0.000 0.974 369 N HN 0.398 nan 8.380 nan 0.000 0.482 370 S N -0.175 115.657 115.700 0.219 0.000 2.607 370 S HA 0.713 5.183 4.470 0.000 0.000 0.273 370 S C -1.329 173.301 174.600 0.050 0.000 1.148 370 S CA -0.786 57.387 58.200 -0.046 0.000 0.833 370 S CB 1.729 64.868 63.200 -0.103 0.000 1.130 370 S HN 0.226 nan 8.310 nan 0.000 0.470 371 F N -0.801 118.910 119.950 -0.398 0.000 2.693 371 F HA 0.755 5.282 4.527 0.000 0.000 0.309 371 F C -2.214 173.368 175.800 -0.363 0.000 1.129 371 F CA -1.328 56.412 58.000 -0.433 0.000 0.948 371 F CB 0.613 38.967 39.000 -1.077 0.000 1.315 371 F HN 0.513 nan 8.300 nan 0.000 0.447 372 Y N 1.239 121.654 120.300 0.190 0.000 2.409 372 Y HA 0.708 5.258 4.550 -0.000 0.000 0.339 372 Y C -0.516 175.547 175.900 0.271 0.000 1.033 372 Y CA -0.865 57.347 58.100 0.187 0.000 1.094 372 Y CB 2.239 40.781 38.460 0.137 0.000 1.210 372 Y HN 0.710 nan 8.280 nan 0.000 0.456 373 K N 0.889 121.522 120.400 0.388 0.000 2.551 373 K HA 0.615 4.935 4.320 0.000 0.000 0.269 373 K C -1.796 174.937 176.600 0.221 0.000 0.949 373 K CA -0.754 55.709 56.287 0.292 0.000 0.849 373 K CB 1.611 34.235 32.500 0.205 0.000 1.411 373 K HN 0.559 nan 8.250 nan 0.000 0.432 374 I N 3.433 124.106 120.570 0.171 0.000 2.452 374 I HA 0.259 4.429 4.170 0.000 0.000 0.287 374 I C -0.016 176.186 176.117 0.142 0.000 1.079 374 I CA -0.301 61.082 61.300 0.139 0.000 1.387 374 I CB -0.003 38.061 38.000 0.107 0.000 1.404 374 I HN 0.615 nan 8.210 nan 0.000 0.522 375 I N 2.611 123.294 120.570 0.187 0.000 2.969 375 I HA 0.582 4.752 4.170 0.000 0.000 0.307 375 I C -0.031 176.226 176.117 0.233 0.000 1.149 375 I CA -0.780 60.631 61.300 0.185 0.000 1.008 375 I CB 2.220 40.345 38.000 0.207 0.000 1.232 375 I HN 0.470 nan 8.210 nan 0.000 0.435 376 S N 2.158 117.932 115.700 0.123 0.000 2.565 376 S HA 0.398 4.868 4.470 0.000 0.000 0.274 376 S C -0.101 174.548 174.600 0.081 0.000 1.309 376 S CA -0.723 57.502 58.200 0.042 0.000 1.043 376 S CB 0.590 63.736 63.200 -0.090 0.000 0.939 376 S HN 0.835 nan 8.310 nan 0.000 0.504 377 N N 1.257 119.879 118.700 -0.130 0.000 2.328 377 N HA 0.086 4.826 4.740 0.000 0.000 0.277 377 N C 1.097 176.515 175.510 -0.154 0.000 1.286 377 N CA -0.375 52.469 53.050 -0.344 0.000 0.949 377 N CB 0.015 37.989 38.487 -0.855 0.000 1.136 377 N HN 0.736 nan 8.380 nan 0.000 0.550 378 E N -0.597 119.508 120.200 -0.159 0.000 2.268 378 E HA -0.203 4.147 4.350 0.000 0.000 0.195 378 E C 0.491 177.034 176.600 -0.095 0.000 0.995 378 E CA 1.283 57.630 56.400 -0.089 0.000 0.836 378 E CB -0.491 29.169 29.700 -0.068 0.000 0.763 378 E HN 0.796 nan 8.360 nan 0.000 0.491 379 E N 0.196 120.330 120.200 -0.110 0.000 2.478 379 E HA 0.113 4.463 4.350 0.000 0.000 0.194 379 E C 0.649 177.177 176.600 -0.121 0.000 1.045 379 E CA 0.384 56.749 56.400 -0.057 0.000 0.868 379 E CB 0.125 29.844 29.700 0.031 0.000 0.885 379 E HN 0.527 nan 8.360 nan 0.000 0.505 380 G N 0.873 109.572 108.800 -0.169 0.000 2.141 380 G HA2 -0.280 3.680 3.960 0.000 0.000 0.242 380 G HA3 -0.280 3.680 3.960 0.000 0.000 0.242 380 G C -0.324 174.329 174.900 -0.411 0.000 0.982 380 G CA -0.133 44.791 45.100 -0.295 0.000 0.662 380 G HN 0.229 nan 8.290 nan 0.000 0.527 381 Y N 0.453 120.635 120.300 -0.197 0.000 2.342 381 Y HA 0.595 5.145 4.550 0.000 0.000 0.334 381 Y C 1.283 177.056 175.900 -0.212 0.000 1.067 381 Y CA -0.832 57.143 58.100 -0.208 0.000 1.128 381 Y CB 0.960 39.312 38.460 -0.179 0.000 1.200 381 Y HN 0.048 nan 8.280 nan 0.000 0.464 382 R N 4.067 124.476 120.500 -0.151 0.000 2.291 382 R HA 0.217 4.557 4.340 0.000 0.000 0.333 382 R C -0.767 175.301 176.300 -0.388 0.000 1.082 382 R CA -0.049 55.954 56.100 -0.162 0.000 0.948 382 R CB -0.042 30.197 30.300 -0.102 0.000 1.009 382 R HN 0.664 nan 8.270 nan 0.000 0.460 383 H N 1.804 120.854 119.070 -0.033 0.000 2.907 383 H HA 0.362 4.918 4.556 0.000 0.000 0.361 383 H C 0.067 175.473 175.328 0.130 0.000 1.194 383 H CA -0.991 55.017 56.048 -0.066 0.000 1.152 383 H CB 1.821 31.435 29.762 -0.247 0.000 1.867 383 H HN 0.297 nan 8.280 nan 0.000 0.561 384 I N 1.325 121.991 120.570 0.160 0.000 2.416 384 I HA 0.052 4.222 4.170 0.000 0.000 0.288 384 I C 0.325 176.466 176.117 0.040 0.000 1.051 384 I CA 0.043 61.391 61.300 0.080 0.000 1.375 384 I CB 0.425 38.394 38.000 -0.051 0.000 1.407 384 I HN 0.140 nan 8.210 nan 0.000 0.516 385 c N 6.962 125.504 118.600 -0.098 0.000 2.382 385 c HA 0.389 4.959 4.570 0.000 0.000 0.327 385 c C -0.326 173.557 174.090 -0.345 0.000 1.250 385 c CA -0.599 55.425 56.329 -0.508 0.000 1.707 385 c CB 0.808 42.728 42.510 -0.982 0.000 2.272 385 c HN 0.707 nan 8.230 nan 0.000 0.506 386 Y N 4.543 124.449 120.300 -0.657 0.000 2.341 386 Y HA 0.618 5.168 4.550 -0.000 0.000 0.340 386 Y C -0.967 174.414 175.900 -0.866 0.000 0.997 386 Y CA -0.371 57.291 58.100 -0.730 0.000 1.149 386 Y CB 0.364 38.479 38.460 -0.574 0.000 1.171 386 Y HN 0.657 nan 8.280 nan 0.000 0.494 387 F N 4.478 123.593 119.950 -1.391 0.000 2.469 387 F HA 0.362 4.889 4.527 -0.000 0.000 0.332 387 F C -0.108 174.906 175.800 -1.311 0.000 1.103 387 F CA -0.790 56.436 58.000 -1.291 0.000 0.979 387 F CB 1.646 39.615 39.000 -1.719 0.000 1.137 387 F HN 0.364 nan 8.300 nan 0.000 0.463 388 Q N 3.524 122.971 119.800 -0.588 0.000 2.290 388 Q HA 0.282 4.622 4.340 0.000 0.000 0.259 388 Q C 0.981 176.940 176.000 -0.069 0.000 0.941 388 Q CA -0.352 55.239 55.803 -0.354 0.000 0.912 388 Q CB 1.596 30.196 28.738 -0.229 0.000 1.244 388 Q HN 0.688 nan 8.270 nan 0.000 0.441 389 I N 1.869 122.453 120.570 0.024 0.000 2.236 389 I HA -0.257 3.913 4.170 0.000 0.000 0.249 389 I C 0.580 176.814 176.117 0.195 0.000 1.102 389 I CA 1.601 63.026 61.300 0.208 0.000 1.365 389 I CB -0.198 37.936 38.000 0.224 0.000 1.051 389 I HN 0.531 nan 8.210 nan 0.000 0.420 390 D N 2.125 122.582 120.400 0.094 0.000 3.058 390 D HA 0.189 4.829 4.640 0.000 0.000 0.272 390 D C 0.338 176.650 176.300 0.019 0.000 1.350 390 D CA 0.128 54.161 54.000 0.055 0.000 0.863 390 D CB 0.376 41.201 40.800 0.041 0.000 1.064 390 D HN 0.511 nan 8.370 nan 0.000 0.488 391 K N -1.941 118.468 120.400 0.016 0.000 2.658 391 K HA 0.311 4.631 4.320 0.000 0.000 0.293 391 K C 0.150 176.729 176.600 -0.035 0.000 1.026 391 K CA -0.772 55.503 56.287 -0.020 0.000 0.871 391 K CB 1.583 34.065 32.500 -0.029 0.000 1.524 391 K HN -0.361 nan 8.250 nan 0.000 0.400 392 K N 0.561 120.928 120.400 -0.056 0.000 2.021 392 K HA 0.059 4.379 4.320 0.000 0.000 0.205 392 K C -0.256 176.327 176.600 -0.029 0.000 1.047 392 K CA 1.530 57.778 56.287 -0.065 0.000 0.943 392 K CB -0.105 32.360 32.500 -0.058 0.000 0.725 392 K HN 0.554 nan 8.250 nan 0.000 0.439 393 D N 0.460 120.821 120.400 -0.065 0.000 2.308 393 D HA 0.055 4.695 4.640 0.000 0.000 0.251 393 D C -0.173 175.972 176.300 -0.260 0.000 1.127 393 D CA -0.117 53.808 54.000 -0.124 0.000 0.876 393 D CB 0.896 41.635 40.800 -0.103 0.000 1.176 393 D HN 0.328 nan 8.370 nan 0.000 0.446 394 c N 0.900 119.212 118.600 -0.481 0.000 2.366 394 c HA 0.796 5.366 4.570 0.000 0.000 0.345 394 c C 0.549 174.287 174.090 -0.588 0.000 1.209 394 c CA -0.812 55.005 56.329 -0.853 0.000 2.050 394 c CB 0.942 42.222 42.510 -2.050 0.000 2.359 394 c HN 0.631 nan 8.230 nan 0.000 0.527 395 T N 0.892 115.173 114.554 -0.455 0.000 2.794 395 T HA 0.586 4.936 4.350 0.000 0.000 0.280 395 T C -0.695 173.801 174.700 -0.339 0.000 0.987 395 T CA -0.299 61.646 62.100 -0.258 0.000 0.993 395 T CB 0.370 69.206 68.868 -0.053 0.000 0.939 395 T HN 0.560 nan 8.240 nan 0.000 0.449 396 F N 3.444 123.265 119.950 -0.215 0.000 2.484 396 F HA 0.323 4.849 4.527 -0.000 0.000 0.360 396 F C 1.539 177.162 175.800 -0.295 0.000 1.101 396 F CA -0.725 57.136 58.000 -0.232 0.000 1.251 396 F CB 0.760 39.633 39.000 -0.212 0.000 1.132 396 F HN 0.686 nan 8.300 nan 0.000 0.570 397 I N -1.177 119.282 120.570 -0.186 0.000 4.181 397 I HA 0.248 4.418 4.170 0.000 0.000 0.331 397 I C 0.239 176.206 176.117 -0.250 0.000 1.312 397 I CA 0.058 61.055 61.300 -0.505 0.000 1.146 397 I CB 0.297 37.750 38.000 -0.911 0.000 1.074 397 I HN 0.481 nan 8.210 nan 0.000 0.402 398 T N 0.293 114.761 114.554 -0.144 0.000 2.916 398 T HA 0.713 5.063 4.350 0.000 0.000 0.292 398 T C -0.640 173.770 174.700 -0.482 0.000 1.055 398 T CA -0.638 61.373 62.100 -0.149 0.000 1.009 398 T CB 2.605 71.446 68.868 -0.046 0.000 1.118 398 T HN 0.491 nan 8.240 nan 0.000 0.497 399 K N -0.160 119.807 120.400 -0.722 0.000 2.578 399 K HA 0.787 5.107 4.320 0.000 0.000 0.287 399 K C -0.371 175.599 176.600 -1.049 0.000 1.010 399 K CA -0.786 54.759 56.287 -1.237 0.000 0.889 399 K CB 1.386 33.497 32.500 -0.649 0.000 1.514 399 K HN 1.580 nan 8.250 nan 0.000 0.424 400 G N -0.110 108.082 108.800 -1.014 0.000 2.353 400 G HA2 0.049 4.009 3.960 0.000 0.000 0.424 400 G HA3 0.049 4.009 3.960 0.000 0.000 0.424 400 G C -0.711 173.635 174.900 -0.923 0.000 1.320 400 G CA -0.344 44.346 45.100 -0.684 0.000 0.995 400 G HN 1.066 nan 8.290 nan 0.000 0.580 401 T N -0.620 113.524 114.554 -0.683 0.000 3.783 401 T HA 0.575 4.925 4.350 0.000 0.000 0.262 401 T C 0.211 174.630 174.700 -0.468 0.000 1.381 401 T CA 0.603 62.086 62.100 -1.028 0.000 1.155 401 T CB -0.937 67.625 68.868 -0.510 0.000 1.256 401 T HN 1.545 nan 8.240 nan 0.000 0.807 402 W N -0.383 120.660 121.300 -0.428 0.000 2.895 402 W HA 0.655 5.315 4.660 -0.000 0.000 0.377 402 W C -1.496 174.951 176.519 -0.122 0.000 1.191 402 W CA -0.986 56.277 57.345 -0.137 0.000 1.179 402 W CB 0.607 30.005 29.460 -0.104 0.000 1.469 402 W HN 0.177 nan 8.180 nan 0.000 0.577 403 E N 0.683 121.031 120.200 0.246 0.000 2.343 403 E HA 0.456 4.806 4.350 0.000 0.000 0.270 403 E C -1.216 175.479 176.600 0.159 0.000 0.895 403 E CA -1.146 55.212 56.400 -0.069 0.000 0.767 403 E CB 3.420 33.136 29.700 0.026 0.000 1.248 403 E HN 0.152 nan 8.360 nan 0.000 0.440 404 V N 3.732 123.611 119.914 -0.058 0.000 2.530 404 V HA 0.027 4.147 4.120 0.000 0.000 0.282 404 V C 1.118 177.295 176.094 0.138 0.000 1.048 404 V CA -0.011 62.356 62.300 0.112 0.000 0.997 404 V CB 0.715 32.507 31.823 -0.052 0.000 0.987 404 V HN 0.683 nan 8.190 nan 0.000 0.477 405 I N 3.093 123.777 120.570 0.190 0.000 2.429 405 I HA 0.266 4.436 4.170 0.000 0.000 0.247 405 I C 1.107 177.335 176.117 0.185 0.000 1.099 405 I CA 1.160 62.569 61.300 0.182 0.000 1.422 405 I CB -0.677 37.380 38.000 0.094 0.000 1.112 405 I HN 0.735 nan 8.210 nan 0.000 0.430 406 G N 0.753 109.662 108.800 0.181 0.000 2.703 406 G HA2 0.575 4.535 3.960 0.000 0.000 0.294 406 G HA3 0.575 4.535 3.960 0.000 0.000 0.294 406 G C -1.259 173.727 174.900 0.144 0.000 1.451 406 G CA -0.528 44.673 45.100 0.168 0.000 0.869 406 G HN -0.034 nan 8.290 nan 0.000 0.516 407 I N 1.604 122.198 120.570 0.039 0.000 2.371 407 I HA 0.252 4.422 4.170 0.000 0.000 0.290 407 I C 0.796 176.831 176.117 -0.137 0.000 1.028 407 I CA -0.574 60.638 61.300 -0.146 0.000 1.345 407 I CB 1.703 39.379 38.000 -0.540 0.000 1.407 407 I HN 0.486 nan 8.210 nan 0.000 0.501 408 E N 4.820 124.997 120.200 -0.039 0.000 2.162 408 E HA 0.309 4.659 4.350 0.000 0.000 0.193 408 E C 0.228 176.769 176.600 -0.099 0.000 0.953 408 E CA 0.369 56.787 56.400 0.030 0.000 0.849 408 E CB 0.472 30.262 29.700 0.150 0.000 0.810 408 E HN 0.682 nan 8.360 nan 0.000 0.470 409 A N 0.786 123.456 122.820 -0.250 0.000 2.604 409 A HA 0.623 4.943 4.320 0.000 0.000 0.295 409 A C -1.503 176.011 177.584 -0.117 0.000 1.067 409 A CA -0.815 51.060 52.037 -0.271 0.000 0.683 409 A CB 1.003 19.546 19.000 -0.763 0.000 1.281 409 A HN 0.144 nan 8.150 nan 0.000 0.407 410 L N 0.319 121.527 121.223 -0.026 0.000 2.385 410 L HA 0.967 5.307 4.340 0.000 0.000 0.273 410 L C -0.108 176.792 176.870 0.050 0.000 0.990 410 L CA -0.263 54.574 54.840 -0.005 0.000 0.821 410 L CB 2.103 44.157 42.059 -0.009 0.000 1.279 410 L HN 0.905 nan 8.230 nan 0.000 0.412 411 T N -1.048 113.541 114.554 0.059 0.000 2.841 411 T HA 0.284 4.634 4.350 0.000 0.000 0.276 411 T C 0.994 175.727 174.700 0.056 0.000 1.003 411 T CA 0.061 62.211 62.100 0.082 0.000 0.995 411 T CB 1.393 70.345 68.868 0.140 0.000 1.260 411 T HN 0.641 nan 8.240 nan 0.000 0.581 412 S N -0.152 115.580 115.700 0.052 0.000 2.374 412 S HA -0.150 4.320 4.470 0.000 0.000 0.227 412 S C 1.144 175.714 174.600 -0.050 0.000 1.037 412 S CA 1.990 60.204 58.200 0.024 0.000 1.024 412 S CB -0.919 62.296 63.200 0.026 0.000 0.861 412 S HN 0.719 nan 8.310 nan 0.000 0.456 413 D N -1.558 118.778 120.400 -0.107 0.000 2.431 413 D HA 0.238 4.878 4.640 0.000 0.000 0.227 413 D C -0.410 175.510 176.300 -0.634 0.000 1.030 413 D CA 0.515 54.288 54.000 -0.378 0.000 0.897 413 D CB 0.273 40.801 40.800 -0.454 0.000 1.058 413 D HN 0.431 nan 8.370 nan 0.000 0.500 414 Y N 0.016 120.239 120.300 -0.128 0.000 2.545 414 Y HA 0.430 4.980 4.550 0.000 0.000 0.348 414 Y C -0.403 175.271 175.900 -0.378 0.000 1.002 414 Y CA -1.240 56.681 58.100 -0.297 0.000 1.039 414 Y CB 2.276 40.442 38.460 -0.490 0.000 1.271 414 Y HN -0.250 nan 8.280 nan 0.000 0.467 415 L N 3.303 124.363 121.223 -0.272 0.000 2.313 415 L HA 0.508 4.848 4.340 0.000 0.000 0.283 415 L C -1.830 174.837 176.870 -0.338 0.000 1.013 415 L CA -1.014 53.638 54.840 -0.313 0.000 0.816 415 L CB 0.439 42.268 42.059 -0.384 0.000 1.236 415 L HN 0.643 nan 8.230 nan 0.000 0.419 416 Y N 5.920 126.148 120.300 -0.120 0.000 2.341 416 Y HA 0.555 5.105 4.550 -0.000 0.000 0.337 416 Y C -0.272 175.623 175.900 -0.007 0.000 1.014 416 Y CA -0.377 57.649 58.100 -0.123 0.000 1.111 416 Y CB 1.468 39.740 38.460 -0.314 0.000 1.194 416 Y HN 0.564 nan 8.280 nan 0.000 0.462 417 Y N 0.419 120.776 120.300 0.095 0.000 2.571 417 Y HA 0.791 5.341 4.550 -0.000 0.000 0.341 417 Y C -1.788 174.191 175.900 0.132 0.000 1.076 417 Y CA -1.942 56.203 58.100 0.074 0.000 1.029 417 Y CB 1.087 39.569 38.460 0.037 0.000 1.308 417 Y HN 0.437 nan 8.280 nan 0.000 0.461 418 I N 3.494 124.205 120.570 0.235 0.000 2.377 418 I HA 0.619 4.789 4.170 0.000 0.000 0.293 418 I C -0.235 176.050 176.117 0.279 0.000 0.987 418 I CA -0.449 60.944 61.300 0.154 0.000 1.185 418 I CB 1.867 39.913 38.000 0.075 0.000 1.341 418 I HN 0.861 nan 8.210 nan 0.000 0.455 419 S N 3.417 119.261 115.700 0.240 0.000 2.651 419 S HA 0.407 4.877 4.470 0.000 0.000 0.279 419 S C -0.495 174.157 174.600 0.087 0.000 1.148 419 S CA -0.912 57.416 58.200 0.213 0.000 0.837 419 S CB 1.705 65.063 63.200 0.262 0.000 1.138 419 S HN 0.643 nan 8.310 nan 0.000 0.478 420 N N -0.087 118.659 118.700 0.078 0.000 2.451 420 N HA 0.154 4.894 4.740 0.000 0.000 0.264 420 N C 0.463 175.942 175.510 -0.052 0.000 1.167 420 N CA -0.383 52.671 53.050 0.007 0.000 0.898 420 N CB 0.325 38.802 38.487 -0.016 0.000 1.176 420 N HN 0.810 nan 8.380 nan 0.000 0.507 421 E N -0.050 119.972 120.200 -0.297 0.000 2.107 421 E HA -0.153 4.197 4.350 0.000 0.000 0.191 421 E C -0.412 176.018 176.600 -0.285 0.000 0.982 421 E CA 0.037 56.004 56.400 -0.722 0.000 0.809 421 E CB -0.058 28.574 29.700 -1.780 0.000 0.756 421 E HN 0.532 nan 8.360 nan 0.000 0.459 422 Y N 2.334 122.537 120.300 -0.162 0.000 2.804 422 Y HA -0.163 4.387 4.550 -0.000 0.000 0.338 422 Y C 0.213 176.067 175.900 -0.077 0.000 1.252 422 Y CA 0.449 58.504 58.100 -0.075 0.000 1.576 422 Y CB 0.217 38.662 38.460 -0.026 0.000 1.223 422 Y HN 0.039 nan 8.280 nan 0.000 0.536 423 K N 3.463 123.567 120.400 -0.494 0.000 3.407 423 K HA -0.222 4.098 4.320 0.000 0.000 0.312 423 K C 0.808 177.314 176.600 -0.157 0.000 1.302 423 K CA 0.964 57.017 56.287 -0.389 0.000 0.931 423 K CB -1.985 30.244 32.500 -0.452 0.000 1.257 423 K HN 1.330 nan 8.250 nan 0.000 0.454 424 G N 0.794 109.518 108.800 -0.126 0.000 2.179 424 G HA2 -0.338 3.622 3.960 0.000 0.000 0.257 424 G HA3 -0.338 3.622 3.960 0.000 0.000 0.257 424 G C 0.133 174.984 174.900 -0.081 0.000 1.010 424 G CA 0.881 45.952 45.100 -0.049 0.000 0.736 424 G HN 0.338 nan 8.290 nan 0.000 0.513 425 M N 0.174 119.662 119.600 -0.186 0.000 2.094 425 M HA 0.247 4.727 4.480 0.000 0.000 0.348 425 M C -1.349 174.692 176.300 -0.431 0.000 1.267 425 M CA -1.878 53.145 55.300 -0.462 0.000 1.125 425 M CB 1.443 33.849 32.600 -0.322 0.000 1.527 425 M HN -0.152 nan 8.290 nan 0.000 0.447 426 P HA -0.078 nan 4.420 nan 0.000 0.222 426 P C 1.184 178.331 177.300 -0.255 0.000 1.147 426 P CA 0.961 63.871 63.100 -0.317 0.000 0.790 426 P CB 0.209 31.717 31.700 -0.321 0.000 0.780 427 G N -1.221 107.373 108.800 -0.343 0.000 3.042 427 G HA2 0.260 4.220 3.960 0.000 0.000 0.212 427 G HA3 0.260 4.220 3.960 0.000 0.000 0.212 427 G C 0.663 175.580 174.900 0.028 0.000 1.166 427 G CA 0.092 45.118 45.100 -0.124 0.000 0.767 427 G HN 0.372 nan 8.290 nan 0.000 0.546 428 G N -0.187 108.580 108.800 -0.054 0.000 2.461 428 G HA2 0.634 4.594 3.960 0.000 0.000 0.329 428 G HA3 0.634 4.594 3.960 0.000 0.000 0.329 428 G C -0.819 173.985 174.900 -0.159 0.000 1.170 428 G CA -0.771 44.330 45.100 0.000 0.000 0.935 428 G HN 0.080 nan 8.290 nan 0.000 0.492 429 R N 0.570 120.932 120.500 -0.230 0.000 2.515 429 R HA 0.302 4.642 4.340 0.000 0.000 0.291 429 R C -1.384 174.876 176.300 -0.067 0.000 1.046 429 R CA -0.706 55.228 56.100 -0.277 0.000 0.914 429 R CB 1.755 31.646 30.300 -0.682 0.000 1.191 429 R HN 0.674 nan 8.270 nan 0.000 0.435 430 N N 1.039 119.726 118.700 -0.022 0.000 2.229 430 N HA 0.389 5.129 4.740 0.000 0.000 0.298 430 N C -1.224 174.150 175.510 -0.226 0.000 1.114 430 N CA -0.825 52.128 53.050 -0.162 0.000 0.776 430 N CB 2.132 40.417 38.487 -0.337 0.000 1.501 430 N HN 0.245 nan 8.380 nan 0.000 0.474 431 L N 2.695 123.653 121.223 -0.442 0.000 2.319 431 L HA 0.407 4.747 4.340 0.000 0.000 0.280 431 L C -1.512 175.002 176.870 -0.593 0.000 1.099 431 L CA 0.182 54.784 54.840 -0.396 0.000 0.828 431 L CB -0.334 41.472 42.059 -0.422 0.000 1.150 431 L HN 0.500 nan 8.230 nan 0.000 0.442 432 Y N 3.961 123.922 120.300 -0.565 0.000 2.524 432 Y HA 0.512 5.061 4.550 -0.000 0.000 0.344 432 Y C -0.214 175.389 175.900 -0.496 0.000 1.012 432 Y CA -0.779 56.942 58.100 -0.631 0.000 1.068 432 Y CB 1.679 39.529 38.460 -1.017 0.000 1.249 432 Y HN 0.459 nan 8.280 nan 0.000 0.468 433 K N 3.517 123.815 120.400 -0.170 0.000 2.376 433 K HA 0.575 4.895 4.320 0.000 0.000 0.257 433 K C -1.862 174.707 176.600 -0.052 0.000 0.939 433 K CA -0.551 55.589 56.287 -0.244 0.000 0.809 433 K CB 1.416 33.722 32.500 -0.324 0.000 1.121 433 K HN 0.822 nan 8.250 nan 0.000 0.425 434 I N 3.413 123.991 120.570 0.012 0.000 2.404 434 I HA 0.185 4.355 4.170 0.000 0.000 0.293 434 I C -0.585 175.620 176.117 0.147 0.000 0.992 434 I CA -0.623 60.763 61.300 0.143 0.000 1.149 434 I CB 1.704 39.832 38.000 0.213 0.000 1.315 434 I HN 0.725 nan 8.210 nan 0.000 0.446 435 Q N 5.629 125.533 119.800 0.173 0.000 2.295 435 Q HA 0.125 4.465 4.340 0.000 0.000 0.259 435 Q C 0.197 176.177 176.000 -0.035 0.000 0.976 435 Q CA -0.522 55.304 55.803 0.038 0.000 0.923 435 Q CB 1.358 30.128 28.738 0.053 0.000 1.185 435 Q HN 0.801 nan 8.270 nan 0.000 0.410 436 L N 3.146 124.278 121.223 -0.151 0.000 2.042 436 L HA -0.234 4.106 4.340 0.000 0.000 0.210 436 L C 2.363 179.108 176.870 -0.207 0.000 1.076 436 L CA 2.295 57.086 54.840 -0.082 0.000 0.749 436 L CB -0.757 41.230 42.059 -0.119 0.000 0.893 436 L HN 0.813 nan 8.230 nan 0.000 0.432 437 S N -2.329 113.227 115.700 -0.241 0.000 2.481 437 S HA -0.047 4.423 4.470 0.000 0.000 0.231 437 S C 0.579 174.992 174.600 -0.313 0.000 0.996 437 S CA 0.571 58.616 58.200 -0.259 0.000 0.942 437 S CB -0.151 62.935 63.200 -0.189 0.000 0.768 437 S HN 0.447 nan 8.310 nan 0.000 0.520 438 D N -0.548 119.684 120.400 -0.280 0.000 2.470 438 D HA 0.301 4.941 4.640 0.000 0.000 0.233 438 D C -0.262 175.978 176.300 -0.099 0.000 1.372 438 D CA -0.718 53.135 54.000 -0.246 0.000 0.994 438 D CB 0.436 41.161 40.800 -0.124 0.000 1.377 438 D HN -0.075 nan 8.370 nan 0.000 0.586 439 Y N 1.274 121.556 120.300 -0.030 0.000 2.293 439 Y HA -0.104 4.446 4.550 0.000 0.000 0.291 439 Y C 2.600 178.510 175.900 0.017 0.000 1.137 439 Y CA 1.600 59.694 58.100 -0.010 0.000 1.202 439 Y CB -1.002 37.448 38.460 -0.017 0.000 0.990 439 Y HN 0.504 nan 8.280 nan 0.000 0.537 440 T N -2.036 112.604 114.554 0.144 0.000 3.007 440 T HA -0.097 4.253 4.350 0.000 0.000 0.270 440 T C 0.820 175.574 174.700 0.091 0.000 1.107 440 T CA 0.443 62.604 62.100 0.101 0.000 1.118 440 T CB -0.318 68.585 68.868 0.058 0.000 0.889 440 T HN 0.108 nan 8.240 nan 0.000 0.506 441 K N 1.826 122.278 120.400 0.086 0.000 2.127 441 K HA 0.446 4.766 4.320 0.000 0.000 0.261 441 K C -1.304 175.364 176.600 0.112 0.000 1.129 441 K CA -0.279 56.057 56.287 0.082 0.000 0.993 441 K CB 0.643 33.182 32.500 0.064 0.000 1.410 441 K HN 0.132 nan 8.250 nan 0.000 0.380 442 V N 2.523 122.503 119.914 0.110 0.000 2.409 442 V HA 0.246 4.366 4.120 0.000 0.000 0.291 442 V C -0.231 175.921 176.094 0.097 0.000 1.020 442 V CA -0.722 61.657 62.300 0.133 0.000 0.848 442 V CB 2.031 33.960 31.823 0.177 0.000 0.990 442 V HN 0.562 nan 8.190 nan 0.000 0.430 443 T N 3.412 117.997 114.554 0.051 0.000 2.792 443 T HA 0.230 4.580 4.350 0.000 0.000 0.280 443 T C -0.340 174.288 174.700 -0.121 0.000 0.990 443 T CA -0.279 61.803 62.100 -0.030 0.000 0.960 443 T CB 1.200 70.022 68.868 -0.076 0.000 0.939 443 T HN 0.727 nan 8.240 nan 0.000 0.439 444 C N 5.421 124.589 119.300 -0.219 0.000 2.442 444 C HA 0.379 4.839 4.460 0.000 0.000 0.362 444 C C 1.570 176.272 174.990 -0.481 0.000 1.242 444 C CA -0.571 58.093 59.018 -0.590 0.000 1.741 444 C CB -1.997 25.337 27.740 -0.677 0.000 2.378 444 C HN 0.972 nan 8.230 nan 0.000 0.549 445 L N 4.870 125.778 121.223 -0.525 0.000 2.591 445 L HA 0.108 4.448 4.340 0.000 0.000 0.228 445 L C 1.920 178.489 176.870 -0.502 0.000 1.133 445 L CA 0.694 55.292 54.840 -0.403 0.000 0.880 445 L CB -0.231 41.627 42.059 -0.334 0.000 1.033 445 L HN 0.893 nan 8.230 nan 0.000 0.450 446 S N -3.932 111.371 115.700 -0.662 0.000 2.684 446 S HA -0.005 4.465 4.470 0.000 0.000 0.268 446 S C 1.676 175.905 174.600 -0.618 0.000 1.075 446 S CA -0.126 57.581 58.200 -0.822 0.000 1.184 446 S CB -0.274 62.050 63.200 -1.459 0.000 1.129 446 S HN 0.267 nan 8.310 nan 0.000 0.630 447 C N 2.097 121.017 119.300 -0.633 0.000 2.385 447 C HA -0.010 4.450 4.460 0.000 0.000 0.275 447 C C 2.273 176.979 174.990 -0.473 0.000 1.207 447 C CA 1.661 60.238 59.018 -0.734 0.000 1.760 447 C CB -1.027 26.199 27.740 -0.857 0.000 2.051 447 C HN 0.691 nan 8.230 nan 0.000 0.467 448 E N -0.396 119.623 120.200 -0.301 0.000 2.501 448 E HA 0.222 4.572 4.350 0.000 0.000 0.201 448 E C 1.725 178.269 176.600 -0.093 0.000 1.016 448 E CA -0.180 56.128 56.400 -0.153 0.000 0.920 448 E CB -0.051 29.587 29.700 -0.103 0.000 1.023 448 E HN 0.526 nan 8.360 nan 0.000 0.474 449 L N 0.434 121.597 121.223 -0.101 0.000 2.127 449 L HA -0.086 4.254 4.340 0.000 0.000 0.211 449 L C 0.810 177.686 176.870 0.009 0.000 1.089 449 L CA 0.900 55.721 54.840 -0.031 0.000 0.757 449 L CB 0.016 42.067 42.059 -0.013 0.000 0.899 449 L HN 0.167 nan 8.230 nan 0.000 0.434 450 N N -1.556 117.157 118.700 0.021 0.000 3.304 450 N HA 0.058 4.798 4.740 0.000 0.000 0.187 450 N C -2.197 173.321 175.510 0.014 0.000 1.482 450 N CA -0.694 52.364 53.050 0.015 0.000 0.785 450 N CB 0.716 39.211 38.487 0.013 0.000 1.619 450 N HN -0.214 nan 8.380 nan 0.000 0.624 451 P HA -0.095 nan 4.420 nan 0.000 0.221 451 P C 0.587 177.915 177.300 0.046 0.000 1.145 451 P CA 1.219 64.337 63.100 0.030 0.000 0.795 451 P CB 0.729 32.462 31.700 0.055 0.000 0.775 452 E N -0.085 120.129 120.200 0.023 0.000 2.060 452 E HA -0.087 4.263 4.350 0.000 0.000 0.189 452 E C 2.187 178.784 176.600 -0.005 0.000 0.974 452 E CA 0.682 57.091 56.400 0.016 0.000 0.808 452 E CB -0.190 29.514 29.700 0.007 0.000 0.768 452 E HN 0.246 nan 8.360 nan 0.000 0.453 453 R N -0.506 119.978 120.500 -0.027 0.000 2.290 453 R HA 0.208 4.548 4.340 0.000 0.000 0.197 453 R C -0.265 175.982 176.300 -0.088 0.000 0.913 453 R CA 0.267 56.331 56.100 -0.060 0.000 1.040 453 R CB 0.272 30.526 30.300 -0.077 0.000 0.992 453 R HN -0.035 nan 8.270 nan 0.000 0.500 454 c N 1.348 119.900 118.600 -0.081 0.000 2.407 454 c HA 0.421 4.991 4.570 0.000 0.000 0.328 454 c C -0.320 173.699 174.090 -0.119 0.000 1.137 454 c CA -0.579 55.637 56.329 -0.189 0.000 1.390 454 c CB 1.250 43.615 42.510 -0.240 0.000 1.989 454 c HN 0.603 nan 8.230 nan 0.000 0.432 455 Q N 0.673 120.405 119.800 -0.113 0.000 2.064 455 Q HA 0.200 4.540 4.340 0.000 0.000 0.213 455 Q C -0.993 175.043 176.000 0.059 0.000 0.779 455 Q CA 0.028 55.846 55.803 0.025 0.000 1.032 455 Q CB 1.397 30.187 28.738 0.087 0.000 1.203 455 Q HN 0.784 nan 8.270 nan 0.000 0.457 456 Y N 0.406 120.568 120.300 -0.231 0.000 2.400 456 Y HA 0.371 4.921 4.550 0.000 0.000 0.335 456 Y C -1.733 174.012 175.900 -0.257 0.000 1.066 456 Y CA -0.963 57.045 58.100 -0.154 0.000 1.285 456 Y CB 0.758 39.150 38.460 -0.115 0.000 1.103 456 Y HN -0.059 nan 8.280 nan 0.000 0.490 457 Y N 2.434 122.643 120.300 -0.152 0.000 2.468 457 Y HA 0.646 5.196 4.550 0.000 0.000 0.342 457 Y C 0.321 176.145 175.900 -0.126 0.000 1.021 457 Y CA -0.520 57.509 58.100 -0.118 0.000 1.079 457 Y CB 2.234 40.596 38.460 -0.162 0.000 1.226 457 Y HN 0.518 nan 8.280 nan 0.000 0.460 458 S N 1.120 116.894 115.700 0.122 0.000 2.709 458 S HA 0.886 5.356 4.470 0.000 0.000 0.302 458 S C -1.579 173.074 174.600 0.089 0.000 1.127 458 S CA -0.733 57.522 58.200 0.093 0.000 0.905 458 S CB 1.904 65.172 63.200 0.114 0.000 1.151 458 S HN 0.631 nan 8.310 nan 0.000 0.510 459 V N 0.391 120.359 119.914 0.091 0.000 3.012 459 V HA 0.812 4.932 4.120 0.000 0.000 0.307 459 V C -1.270 174.906 176.094 0.136 0.000 1.166 459 V CA -0.202 62.128 62.300 0.050 0.000 0.974 459 V CB 2.234 34.005 31.823 -0.088 0.000 1.040 459 V HN 1.168 nan 8.190 nan 0.000 0.428 460 S N 5.511 121.294 115.700 0.138 0.000 2.756 460 S HA 0.689 5.159 4.470 0.000 0.000 0.303 460 S C -1.137 173.641 174.600 0.296 0.000 1.135 460 S CA -0.364 58.020 58.200 0.307 0.000 1.066 460 S CB 0.420 63.855 63.200 0.392 0.000 1.008 460 S HN 0.509 nan 8.310 nan 0.000 0.482 461 F N 3.049 123.063 119.950 0.106 0.000 2.371 461 F HA 0.438 4.965 4.527 -0.000 0.000 0.329 461 F C 1.417 176.778 175.800 -0.731 0.000 1.107 461 F CA -0.259 57.642 58.000 -0.166 0.000 1.137 461 F CB 1.355 40.244 39.000 -0.185 0.000 1.214 461 F HN 0.630 nan 8.300 nan 0.000 0.536 462 S N 1.787 116.884 115.700 -1.006 0.000 2.596 462 S HA 0.083 4.553 4.470 0.000 0.000 0.260 462 S C 1.333 175.643 174.600 -0.483 0.000 1.336 462 S CA -0.729 56.604 58.200 -1.445 0.000 0.993 462 S CB 0.766 63.276 63.200 -1.150 0.000 0.923 462 S HN 0.789 nan 8.310 nan 0.000 0.567 463 K N 0.501 120.747 120.400 -0.256 0.000 2.144 463 K HA -0.217 4.103 4.320 0.000 0.000 0.209 463 K C 1.263 177.832 176.600 -0.051 0.000 1.047 463 K CA 2.182 58.433 56.287 -0.060 0.000 0.927 463 K CB -0.167 32.338 32.500 0.008 0.000 0.716 463 K HN 0.867 nan 8.250 nan 0.000 0.454 464 E N -1.707 118.442 120.200 -0.085 0.000 2.734 464 E HA 0.200 4.550 4.350 0.000 0.000 0.211 464 E C -0.500 176.065 176.600 -0.058 0.000 0.991 464 E CA 0.503 56.874 56.400 -0.048 0.000 1.065 464 E CB 0.497 30.177 29.700 -0.033 0.000 1.047 464 E HN 0.334 nan 8.360 nan 0.000 0.470 465 A N 0.951 123.724 122.820 -0.079 0.000 2.860 465 A HA -0.299 4.021 4.320 0.000 0.000 0.267 465 A C 1.219 178.804 177.584 0.002 0.000 1.421 465 A CA 1.491 53.533 52.037 0.008 0.000 0.831 465 A CB -2.069 16.853 19.000 -0.130 0.000 1.041 465 A HN 0.363 nan 8.150 nan 0.000 0.623 466 K N -1.764 118.542 120.400 -0.156 0.000 2.167 466 K HA 0.158 4.478 4.320 0.000 0.000 0.203 466 K C 0.203 176.451 176.600 -0.587 0.000 1.052 466 K CA 1.348 57.417 56.287 -0.364 0.000 0.956 466 K CB 0.022 32.233 32.500 -0.482 0.000 0.735 466 K HN 0.705 nan 8.250 nan 0.000 0.451 467 Y N -0.806 119.464 120.300 -0.050 0.000 2.570 467 Y HA 0.328 4.878 4.550 -0.000 0.000 0.345 467 Y C -0.928 174.903 175.900 -0.114 0.000 1.014 467 Y CA -1.511 56.552 58.100 -0.061 0.000 1.063 467 Y CB 1.676 40.174 38.460 0.065 0.000 1.272 467 Y HN -0.076 nan 8.280 nan 0.000 0.477 468 Y N -0.797 119.493 120.300 -0.015 0.000 2.504 468 Y HA 0.477 5.027 4.550 -0.000 0.000 0.344 468 Y C -1.206 174.697 175.900 0.006 0.000 1.023 468 Y CA -1.447 56.480 58.100 -0.288 0.000 1.020 468 Y CB 1.420 39.113 38.460 -1.279 0.000 1.282 468 Y HN 0.594 nan 8.280 nan 0.000 0.454 469 Q N 4.154 124.090 119.800 0.227 0.000 2.274 469 Q HA 0.508 4.848 4.340 0.000 0.000 0.256 469 Q C -1.679 174.408 176.000 0.145 0.000 0.927 469 Q CA -0.640 55.248 55.803 0.142 0.000 0.939 469 Q CB 1.118 29.909 28.738 0.088 0.000 1.201 469 Q HN 0.965 nan 8.270 nan 0.000 0.426 470 L N 4.311 125.627 121.223 0.155 0.000 2.289 470 L HA 0.509 4.849 4.340 0.000 0.000 0.285 470 L C 0.023 176.922 176.870 0.049 0.000 1.049 470 L CA -0.451 54.465 54.840 0.127 0.000 0.804 470 L CB 1.367 43.498 42.059 0.121 0.000 1.195 470 L HN 0.574 nan 8.230 nan 0.000 0.428 471 R N 3.296 123.789 120.500 -0.012 0.000 2.343 471 R HA 0.412 4.752 4.340 0.000 0.000 0.320 471 R C -1.158 174.988 176.300 -0.258 0.000 0.956 471 R CA -0.487 55.408 56.100 -0.342 0.000 0.836 471 R CB 1.453 31.564 30.300 -0.314 0.000 1.151 471 R HN 0.733 nan 8.270 nan 0.000 0.450 472 c N 3.506 121.839 118.600 -0.446 0.000 2.303 472 c HA 0.484 5.054 4.570 0.000 0.000 0.326 472 c C 0.660 174.549 174.090 -0.337 0.000 1.285 472 c CA -0.358 55.640 56.329 -0.551 0.000 1.675 472 c CB 1.132 43.256 42.510 -0.644 0.000 2.289 472 c HN 0.967 nan 8.230 nan 0.000 0.512 473 S N 3.088 118.674 115.700 -0.189 0.000 2.539 473 S HA 0.558 5.028 4.470 0.000 0.000 0.221 473 S C 0.549 175.120 174.600 -0.048 0.000 0.987 473 S CA 0.431 58.590 58.200 -0.069 0.000 0.929 473 S CB 0.311 63.504 63.200 -0.013 0.000 0.832 473 S HN 1.452 nan 8.310 nan 0.000 0.492 474 G N 1.662 110.412 108.800 -0.084 0.000 2.320 474 G HA2 0.248 4.208 3.960 0.000 0.000 0.297 474 G HA3 0.248 4.208 3.960 0.000 0.000 0.297 474 G C -2.987 171.882 174.900 -0.052 0.000 1.344 474 G CA -0.653 44.426 45.100 -0.035 0.000 0.851 474 G HN -0.179 nan 8.290 nan 0.000 0.567 475 P HA 0.123 nan 4.420 nan 0.000 0.225 475 P C 1.409 178.709 177.300 0.000 0.000 1.156 475 P CA 1.440 64.554 63.100 0.023 0.000 0.787 475 P CB 0.174 31.888 31.700 0.024 0.000 0.802 476 G N 0.582 109.327 108.800 -0.093 0.000 2.611 476 G HA2 0.310 4.270 3.960 0.000 0.000 0.273 476 G HA3 0.310 4.270 3.960 0.000 0.000 0.273 476 G C -0.412 174.273 174.900 -0.359 0.000 1.305 476 G CA -0.455 44.518 45.100 -0.211 0.000 1.010 476 G HN -0.015 nan 8.290 nan 0.000 0.509 477 L N 1.167 122.092 121.223 -0.496 0.000 2.485 477 L HA 0.197 4.537 4.340 0.000 0.000 0.275 477 L C -1.666 175.080 176.870 -0.207 0.000 1.207 477 L CA -0.612 53.922 54.840 -0.509 0.000 0.855 477 L CB 0.108 41.930 42.059 -0.395 0.000 1.114 477 L HN 0.247 nan 8.230 nan 0.000 0.485 478 P HA 0.140 nan 4.420 nan 0.000 0.266 478 P C -1.041 176.276 177.300 0.029 0.000 1.195 478 P CA -0.120 62.977 63.100 -0.005 0.000 0.768 478 P CB 0.589 32.399 31.700 0.184 0.000 0.838 479 L N 4.414 125.584 121.223 -0.089 0.000 2.438 479 L HA 0.456 4.796 4.340 0.000 0.000 0.270 479 L C -1.813 174.984 176.870 -0.121 0.000 0.972 479 L CA -0.626 54.202 54.840 -0.020 0.000 0.831 479 L CB 1.073 43.094 42.059 -0.063 0.000 1.273 479 L HN 0.258 nan 8.230 nan 0.000 0.405 480 Y N 3.102 123.364 120.300 -0.063 0.000 2.334 480 Y HA 0.662 5.212 4.550 -0.000 0.000 0.336 480 Y C 0.437 176.231 175.900 -0.177 0.000 0.960 480 Y CA -0.560 57.484 58.100 -0.094 0.000 1.164 480 Y CB 1.977 40.369 38.460 -0.114 0.000 1.155 480 Y HN 0.658 nan 8.280 nan 0.000 0.478 481 T N 1.870 116.418 114.554 -0.010 0.000 2.908 481 T HA 0.608 4.958 4.350 0.000 0.000 0.290 481 T C -1.259 173.366 174.700 -0.125 0.000 1.034 481 T CA -0.938 61.103 62.100 -0.098 0.000 1.010 481 T CB 1.935 70.796 68.868 -0.011 0.000 1.068 481 T HN 0.449 nan 8.240 nan 0.000 0.481 482 L N 2.330 123.363 121.223 -0.317 0.000 2.329 482 L HA 0.547 4.887 4.340 0.000 0.000 0.279 482 L C -0.764 175.791 176.870 -0.524 0.000 1.014 482 L CA -0.553 54.121 54.840 -0.277 0.000 0.814 482 L CB 1.390 43.315 42.059 -0.223 0.000 1.257 482 L HN 0.877 nan 8.230 nan 0.000 0.424 483 H N 1.644 120.486 119.070 -0.380 0.000 2.895 483 H HA 0.329 4.885 4.556 -0.000 0.000 0.373 483 H C -0.534 174.615 175.328 -0.299 0.000 1.174 483 H CA -0.676 55.066 56.048 -0.510 0.000 1.144 483 H CB 2.428 31.521 29.762 -1.114 0.000 1.793 483 H HN 0.539 nan 8.280 nan 0.000 0.551 484 S N 0.267 115.973 115.700 0.010 0.000 2.429 484 S HA 0.115 4.585 4.470 0.000 0.000 0.302 484 S C 0.992 175.614 174.600 0.037 0.000 1.115 484 S CA -0.523 57.781 58.200 0.173 0.000 1.095 484 S CB 1.281 64.622 63.200 0.236 0.000 0.987 484 S HN 0.669 nan 8.310 nan 0.000 0.474 485 S N 2.479 118.205 115.700 0.043 0.000 2.607 485 S HA -0.037 4.433 4.470 0.000 0.000 0.224 485 S C 1.367 176.022 174.600 0.091 0.000 0.969 485 S CA 0.357 58.666 58.200 0.182 0.000 0.927 485 S CB -0.275 63.086 63.200 0.269 0.000 0.772 485 S HN 0.673 nan 8.310 nan 0.000 0.533 486 V N 3.155 123.082 119.914 0.021 0.000 2.427 486 V HA -0.129 3.991 4.120 0.000 0.000 0.248 486 V C 1.689 177.807 176.094 0.040 0.000 1.051 486 V CA 2.183 64.500 62.300 0.027 0.000 1.048 486 V CB -0.492 31.333 31.823 0.003 0.000 0.666 486 V HN 0.861 nan 8.190 nan 0.000 0.456 487 N N -3.185 115.539 118.700 0.040 0.000 2.113 487 N HA 0.084 4.824 4.740 0.000 0.000 0.223 487 N C 0.338 175.868 175.510 0.033 0.000 1.310 487 N CA 0.625 53.694 53.050 0.032 0.000 0.896 487 N CB 0.338 38.843 38.487 0.030 0.000 1.097 487 N HN 0.330 nan 8.380 nan 0.000 0.507 488 D N -0.328 120.108 120.400 0.060 0.000 3.076 488 D HA -0.157 4.483 4.640 0.000 0.000 0.218 488 D C -0.588 175.761 176.300 0.082 0.000 1.156 488 D CA 1.267 55.319 54.000 0.087 0.000 0.921 488 D CB -1.120 39.715 40.800 0.059 0.000 1.113 488 D HN 0.647 nan 8.370 nan 0.000 0.418 489 K N 0.438 120.872 120.400 0.056 0.000 2.107 489 K HA 0.602 4.922 4.320 0.000 0.000 0.251 489 K C 0.751 177.361 176.600 0.018 0.000 1.012 489 K CA -0.335 55.977 56.287 0.041 0.000 0.920 489 K CB 0.749 33.252 32.500 0.005 0.000 1.033 489 K HN -0.022 nan 8.250 nan 0.000 0.478 490 G N 1.104 109.855 108.800 -0.083 0.000 2.325 490 G HA2 0.354 4.314 3.960 0.000 0.000 0.298 490 G HA3 0.354 4.314 3.960 0.000 0.000 0.298 490 G C 0.170 174.894 174.900 -0.292 0.000 1.134 490 G CA -0.860 44.002 45.100 -0.396 0.000 0.876 490 G HN 0.563 nan 8.290 nan 0.000 0.452 491 L N 1.383 122.410 121.223 -0.326 0.000 2.072 491 L HA 0.195 4.535 4.340 0.000 0.000 0.205 491 L C 1.673 178.425 176.870 -0.197 0.000 1.079 491 L CA 1.117 55.832 54.840 -0.209 0.000 0.752 491 L CB -0.188 41.755 42.059 -0.193 0.000 0.906 491 L HN 0.767 nan 8.230 nan 0.000 0.436 492 R N -2.809 117.539 120.500 -0.254 0.000 2.828 492 R HA 0.327 4.667 4.340 0.000 0.000 0.280 492 R C -1.594 174.563 176.300 -0.238 0.000 1.020 492 R CA -0.965 55.012 56.100 -0.205 0.000 0.855 492 R CB 0.977 31.183 30.300 -0.157 0.000 1.278 492 R HN -0.308 nan 8.270 nan 0.000 0.495 493 V N 2.911 122.713 119.914 -0.187 0.000 2.488 493 V HA 0.150 4.270 4.120 0.000 0.000 0.277 493 V C 1.326 177.270 176.094 -0.250 0.000 1.046 493 V CA -0.258 61.933 62.300 -0.181 0.000 0.986 493 V CB 1.035 32.789 31.823 -0.115 0.000 0.989 493 V HN 0.628 nan 8.190 nan 0.000 0.475 494 L N 2.744 123.748 121.223 -0.365 0.000 2.202 494 L HA 0.296 4.636 4.340 0.000 0.000 0.205 494 L C 0.754 177.295 176.870 -0.548 0.000 1.083 494 L CA 0.674 55.082 54.840 -0.720 0.000 0.790 494 L CB 0.194 41.474 42.059 -1.299 0.000 0.942 494 L HN 0.702 nan 8.230 nan 0.000 0.452 495 E N -0.288 119.764 120.200 -0.246 0.000 2.347 495 E HA 0.088 4.438 4.350 0.000 0.000 0.285 495 E C -1.055 175.568 176.600 0.039 0.000 0.925 495 E CA -0.324 56.048 56.400 -0.047 0.000 0.779 495 E CB 1.240 30.948 29.700 0.014 0.000 1.233 495 E HN 0.135 nan 8.360 nan 0.000 0.414 496 D N 3.126 123.540 120.400 0.023 0.000 2.441 496 D HA 0.107 4.747 4.640 0.000 0.000 0.210 496 D C -0.172 176.141 176.300 0.022 0.000 1.102 496 D CA -0.122 53.889 54.000 0.018 0.000 0.840 496 D CB 0.019 40.812 40.800 -0.012 0.000 0.990 496 D HN 0.471 nan 8.370 nan 0.000 0.505 497 N N 0.318 119.042 118.700 0.041 0.000 2.741 497 N HA -0.195 4.545 4.740 0.000 0.000 0.251 497 N C 0.932 176.453 175.510 0.018 0.000 1.112 497 N CA 0.966 54.039 53.050 0.039 0.000 0.750 497 N CB -1.556 36.954 38.487 0.039 0.000 1.119 497 N HN 0.437 nan 8.380 nan 0.000 0.561 498 S N -1.074 114.635 115.700 0.014 0.000 2.399 498 S HA -0.024 4.446 4.470 0.000 0.000 0.231 498 S C 2.129 176.747 174.600 0.029 0.000 1.022 498 S CA 1.025 59.232 58.200 0.011 0.000 0.983 498 S CB -0.171 63.033 63.200 0.006 0.000 0.803 498 S HN 0.533 nan 8.310 nan 0.000 0.480 499 A N 2.264 125.109 122.820 0.042 0.000 1.865 499 A HA -0.029 4.291 4.320 0.000 0.000 0.217 499 A C 2.238 179.870 177.584 0.080 0.000 1.191 499 A CA 1.759 53.831 52.037 0.057 0.000 0.623 499 A CB -0.962 18.074 19.000 0.060 0.000 0.826 499 A HN 0.512 nan 8.150 nan 0.000 0.444 500 L N 0.164 121.441 121.223 0.089 0.000 2.046 500 L HA -0.145 4.195 4.340 0.000 0.000 0.208 500 L C 1.968 178.891 176.870 0.089 0.000 1.077 500 L CA 2.806 57.721 54.840 0.125 0.000 0.747 500 L CB -0.609 41.527 42.059 0.128 0.000 0.896 500 L HN 0.485 nan 8.230 nan 0.000 0.432 501 D N -0.799 119.622 120.400 0.035 0.000 2.144 501 D HA -0.229 4.411 4.640 0.000 0.000 0.199 501 D C 2.099 178.412 176.300 0.021 0.000 0.984 501 D CA 0.958 54.958 54.000 -0.000 0.000 0.834 501 D CB -0.003 40.782 40.800 -0.026 0.000 0.955 501 D HN 0.053 nan 8.370 nan 0.000 0.465 502 K N -0.088 120.338 120.400 0.042 0.000 2.026 502 K HA -0.068 4.252 4.320 0.000 0.000 0.208 502 K C 2.147 178.792 176.600 0.075 0.000 1.048 502 K CA 1.043 57.360 56.287 0.050 0.000 0.929 502 K CB -0.434 32.097 32.500 0.052 0.000 0.713 502 K HN 0.312 nan 8.250 nan 0.000 0.439 503 M N -0.018 119.653 119.600 0.118 0.000 2.132 503 M HA -0.135 4.345 4.480 0.000 0.000 0.263 503 M C 1.687 178.065 176.300 0.130 0.000 1.065 503 M CA 0.997 56.412 55.300 0.192 0.000 1.122 503 M CB -0.187 32.623 32.600 0.350 0.000 1.365 503 M HN -0.074 nan 8.290 nan 0.000 0.411 504 L N 0.225 121.472 121.223 0.041 0.000 2.633 504 L HA -0.096 4.244 4.340 0.000 0.000 0.235 504 L C 2.316 179.175 176.870 -0.018 0.000 1.163 504 L CA 1.440 56.246 54.840 -0.057 0.000 0.859 504 L CB -1.110 40.912 42.059 -0.061 0.000 0.973 504 L HN 0.412 nan 8.230 nan 0.000 0.451 505 Q N -0.540 119.270 119.800 0.017 0.000 2.123 505 Q HA -0.168 4.172 4.340 0.000 0.000 0.199 505 Q C 1.978 177.997 176.000 0.033 0.000 0.966 505 Q CA 1.136 56.952 55.803 0.020 0.000 0.845 505 Q CB 0.074 28.829 28.738 0.028 0.000 0.907 505 Q HN 0.573 nan 8.270 nan 0.000 0.439 506 N N -0.228 118.504 118.700 0.052 0.000 2.424 506 N HA -0.030 4.710 4.740 0.000 0.000 0.178 506 N C -0.120 175.431 175.510 0.067 0.000 1.060 506 N CA 0.022 53.111 53.050 0.066 0.000 0.901 506 N CB 0.708 39.247 38.487 0.088 0.000 0.979 506 N HN 0.049 nan 8.380 nan 0.000 0.451 507 V N 1.836 121.775 119.914 0.043 0.000 2.481 507 V HA 0.192 4.312 4.120 0.000 0.000 0.286 507 V C -0.388 175.716 176.094 0.016 0.000 1.042 507 V CA -0.554 61.769 62.300 0.038 0.000 0.928 507 V CB 1.513 33.330 31.823 -0.010 0.000 0.986 507 V HN 0.104 nan 8.190 nan 0.000 0.462 508 Q N 6.762 126.585 119.800 0.037 0.000 2.359 508 Q HA 0.253 4.593 4.340 0.000 0.000 0.249 508 Q C -0.418 175.560 176.000 -0.036 0.000 1.181 508 Q CA 0.125 55.923 55.803 -0.009 0.000 0.897 508 Q CB 0.496 29.251 28.738 0.028 0.000 1.424 508 Q HN 0.622 nan 8.270 nan 0.000 0.478 509 M N 4.182 123.740 119.600 -0.071 0.000 2.409 509 M HA 0.442 4.922 4.480 0.000 0.000 0.329 509 M C -2.070 174.165 176.300 -0.108 0.000 1.180 509 M CA -2.538 52.714 55.300 -0.081 0.000 1.053 509 M CB 0.657 33.217 32.600 -0.067 0.000 1.586 509 M HN 0.344 nan 8.290 nan 0.000 0.461 510 P HA 0.263 nan 4.420 nan 0.000 0.276 510 P C -0.803 176.426 177.300 -0.117 0.000 1.261 510 P CA -0.302 62.719 63.100 -0.132 0.000 0.800 510 P CB 0.647 32.254 31.700 -0.155 0.000 1.066 511 S N -0.585 115.031 115.700 -0.139 0.000 2.739 511 S HA 0.584 5.054 4.470 0.000 0.000 0.306 511 S C -0.530 173.986 174.600 -0.140 0.000 1.115 511 S CA -0.827 57.302 58.200 -0.118 0.000 0.985 511 S CB 1.745 64.870 63.200 -0.124 0.000 1.133 511 S HN 0.499 nan 8.310 nan 0.000 0.541 512 K N 0.663 121.002 120.400 -0.101 0.000 2.376 512 K HA 0.348 4.668 4.320 0.000 0.000 0.257 512 K C -1.278 175.265 176.600 -0.093 0.000 0.939 512 K CA -0.479 55.751 56.287 -0.095 0.000 0.809 512 K CB 1.283 33.754 32.500 -0.049 0.000 1.121 512 K HN 0.681 nan 8.250 nan 0.000 0.425 513 K N 5.956 126.287 120.400 -0.116 0.000 2.240 513 K HA 0.294 4.614 4.320 0.000 0.000 0.271 513 K C -1.161 175.395 176.600 -0.075 0.000 1.018 513 K CA -0.564 55.665 56.287 -0.097 0.000 0.874 513 K CB 0.877 33.304 32.500 -0.122 0.000 1.098 513 K HN 0.598 nan 8.250 nan 0.000 0.458 514 L N 4.331 125.525 121.223 -0.049 0.000 2.313 514 L HA 0.449 4.789 4.340 0.000 0.000 0.283 514 L C -0.974 175.877 176.870 -0.031 0.000 1.013 514 L CA -0.175 54.657 54.840 -0.014 0.000 0.816 514 L CB 1.417 43.532 42.059 0.094 0.000 1.236 514 L HN 0.837 nan 8.230 nan 0.000 0.419 515 D N 2.524 122.780 120.400 -0.239 0.000 2.792 515 D HA 0.409 5.049 4.640 0.000 0.000 0.335 515 D C -1.611 174.383 176.300 -0.510 0.000 1.353 515 D CA -0.046 53.744 54.000 -0.349 0.000 0.839 515 D CB 2.050 42.567 40.800 -0.471 0.000 1.396 515 D HN 0.244 nan 8.370 nan 0.000 0.479 516 F N -0.010 119.563 119.950 -0.628 0.000 2.620 516 F HA 0.748 5.275 4.527 -0.000 0.000 0.320 516 F C -0.531 175.312 175.800 0.072 0.000 1.069 516 F CA -1.076 56.631 58.000 -0.487 0.000 0.953 516 F CB 1.005 39.191 39.000 -1.357 0.000 1.322 516 F HN 0.264 nan 8.300 nan 0.000 0.479 517 I N 0.617 121.389 120.570 0.336 0.000 2.693 517 I HA 0.601 4.771 4.170 0.000 0.000 0.303 517 I C -1.131 175.178 176.117 0.320 0.000 1.025 517 I CA -1.106 60.328 61.300 0.222 0.000 1.086 517 I CB 2.003 40.132 38.000 0.215 0.000 1.268 517 I HN 0.471 nan 8.210 nan 0.000 0.440 518 I N 4.961 125.656 120.570 0.208 0.000 2.353 518 I HA 0.448 4.618 4.170 0.000 0.000 0.293 518 I C -0.627 175.616 176.117 0.210 0.000 0.992 518 I CA -0.451 60.980 61.300 0.218 0.000 1.268 518 I CB 1.441 39.533 38.000 0.153 0.000 1.387 518 I HN 0.455 nan 8.210 nan 0.000 0.478 519 L N 7.487 128.873 121.223 0.272 0.000 2.541 519 L HA 0.409 4.749 4.340 0.000 0.000 0.266 519 L C -0.306 176.710 176.870 0.243 0.000 0.966 519 L CA -0.142 54.861 54.840 0.273 0.000 0.871 519 L CB 0.710 43.011 42.059 0.403 0.000 1.232 519 L HN 0.555 nan 8.230 nan 0.000 0.408 520 N N 3.510 122.289 118.700 0.131 0.000 2.738 520 N HA -0.216 4.524 4.740 0.000 0.000 0.249 520 N C -0.118 175.434 175.510 0.069 0.000 1.047 520 N CA 1.336 54.438 53.050 0.087 0.000 0.707 520 N CB -0.740 37.795 38.487 0.080 0.000 0.937 520 N HN 0.854 nan 8.380 nan 0.000 0.545 521 E N -3.442 116.796 120.200 0.063 0.000 2.637 521 E HA -0.230 4.120 4.350 0.000 0.000 0.265 521 E C -0.783 175.822 176.600 0.010 0.000 1.073 521 E CA 1.215 57.636 56.400 0.037 0.000 0.778 521 E CB -1.924 27.788 29.700 0.020 0.000 1.362 521 E HN 0.515 nan 8.360 nan 0.000 0.413 522 T N 0.313 114.874 114.554 0.010 0.000 2.916 522 T HA 0.356 4.706 4.350 0.000 0.000 0.298 522 T C -0.287 174.294 174.700 -0.198 0.000 1.031 522 T CA -0.966 61.052 62.100 -0.135 0.000 0.993 522 T CB 1.797 70.532 68.868 -0.220 0.000 1.045 522 T HN 0.002 nan 8.240 nan 0.000 0.454 523 K N 1.864 122.088 120.400 -0.292 0.000 2.379 523 K HA 0.436 4.756 4.320 0.000 0.000 0.284 523 K C -1.072 175.254 176.600 -0.457 0.000 1.044 523 K CA 0.049 56.166 56.287 -0.283 0.000 0.974 523 K CB 0.284 32.477 32.500 -0.511 0.000 0.962 523 K HN 0.382 nan 8.250 nan 0.000 0.474 524 F N 2.204 122.216 119.950 0.103 0.000 2.518 524 F HA 0.310 4.837 4.527 0.000 0.000 0.323 524 F C -0.600 175.272 175.800 0.120 0.000 1.129 524 F CA -0.782 57.281 58.000 0.104 0.000 0.920 524 F CB 0.957 40.041 39.000 0.140 0.000 1.160 524 F HN 0.422 nan 8.300 nan 0.000 0.440 525 W N 4.016 125.450 121.300 0.223 0.000 2.313 525 W HA 0.517 5.177 4.660 -0.000 0.000 0.328 525 W C -0.595 176.106 176.519 0.304 0.000 1.197 525 W CA -0.524 56.971 57.345 0.250 0.000 1.235 525 W CB 0.713 30.251 29.460 0.130 0.000 1.158 525 W HN 0.449 nan 8.180 nan 0.000 0.578 526 Y N -0.049 120.574 120.300 0.539 0.000 2.588 526 Y HA 0.673 5.224 4.550 0.000 0.000 0.343 526 Y C -0.888 175.242 175.900 0.382 0.000 1.065 526 Y CA -1.820 56.600 58.100 0.534 0.000 1.038 526 Y CB 1.151 40.077 38.460 0.778 0.000 1.297 526 Y HN 0.579 nan 8.280 nan 0.000 0.467 527 Q N 2.401 122.443 119.800 0.403 0.000 2.451 527 Q HA 0.789 5.129 4.340 0.000 0.000 0.281 527 Q C -1.776 174.341 176.000 0.195 0.000 1.099 527 Q CA -1.215 54.700 55.803 0.187 0.000 0.806 527 Q CB 3.369 32.184 28.738 0.129 0.000 1.419 527 Q HN 0.870 nan 8.270 nan 0.000 0.427 528 M N 2.132 121.768 119.600 0.061 0.000 2.326 528 M HA 0.410 4.890 4.480 0.000 0.000 0.292 528 M C -1.353 174.882 176.300 -0.109 0.000 1.081 528 M CA -0.877 54.400 55.300 -0.038 0.000 0.919 528 M CB 2.294 34.833 32.600 -0.102 0.000 1.634 528 M HN 0.610 nan 8.290 nan 0.000 0.451 529 I N 5.246 125.751 120.570 -0.109 0.000 2.281 529 I HA 0.302 4.472 4.170 0.000 0.000 0.293 529 I C -0.401 175.590 176.117 -0.210 0.000 1.085 529 I CA -0.203 61.010 61.300 -0.146 0.000 1.257 529 I CB -0.256 37.674 38.000 -0.117 0.000 1.430 529 I HN 0.631 nan 8.210 nan 0.000 0.489 530 L N 8.288 129.336 121.223 -0.291 0.000 2.292 530 L HA 0.386 4.726 4.340 0.000 0.000 0.284 530 L C -2.087 174.645 176.870 -0.231 0.000 1.065 530 L CA -1.752 52.843 54.840 -0.408 0.000 0.806 530 L CB 0.732 42.344 42.059 -0.744 0.000 1.175 530 L HN 0.238 nan 8.230 nan 0.000 0.431 531 P HA 0.025 nan 4.420 nan 0.000 0.267 531 P C -2.393 174.899 177.300 -0.013 0.000 1.200 531 P CA -0.762 62.316 63.100 -0.038 0.000 0.772 531 P CB -0.231 31.509 31.700 0.067 0.000 0.855 532 P HA -0.053 nan 4.420 nan 0.000 0.269 532 P C -0.174 177.045 177.300 -0.135 0.000 1.215 532 P CA 0.560 63.540 63.100 -0.201 0.000 0.780 532 P CB 0.054 31.560 31.700 -0.323 0.000 0.898 533 H N -1.533 117.577 119.070 0.067 0.000 2.770 533 H HA -0.200 4.356 4.556 -0.000 0.000 0.309 533 H C -0.081 175.300 175.328 0.088 0.000 1.206 533 H CA 0.107 56.194 56.048 0.065 0.000 1.147 533 H CB -2.521 27.268 29.762 0.044 0.000 1.422 533 H HN 0.417 nan 8.280 nan 0.000 0.420 534 F N 2.468 122.419 119.950 0.001 0.000 2.571 534 F HA 0.103 4.630 4.527 -0.000 0.000 0.390 534 F C 0.638 176.442 175.800 0.005 0.000 1.043 534 F CA -0.031 57.926 58.000 -0.072 0.000 1.164 534 F CB 0.426 39.269 39.000 -0.262 0.000 1.049 534 F HN 0.135 nan 8.300 nan 0.000 0.552 535 D N 6.479 126.575 120.400 -0.507 0.000 2.441 535 D HA 0.104 4.744 4.640 0.000 0.000 0.231 535 D C 0.582 176.600 176.300 -0.470 0.000 1.073 535 D CA -0.513 53.300 54.000 -0.312 0.000 0.850 535 D CB 0.948 41.675 40.800 -0.122 0.000 1.062 535 D HN 0.690 nan 8.370 nan 0.000 0.524 536 K N 1.181 121.394 120.400 -0.311 0.000 2.555 536 K HA -0.041 4.279 4.320 0.000 0.000 0.193 536 K C 0.870 177.517 176.600 0.078 0.000 1.032 536 K CA 0.464 56.699 56.287 -0.087 0.000 1.004 536 K CB 0.000 32.603 32.500 0.172 0.000 0.804 536 K HN 0.188 nan 8.250 nan 0.000 0.496 537 S N -0.302 115.398 115.700 -0.000 0.000 2.535 537 S HA 0.096 4.566 4.470 0.000 0.000 0.214 537 S C 0.559 175.149 174.600 -0.018 0.000 0.980 537 S CA -0.460 57.748 58.200 0.013 0.000 0.907 537 S CB 0.100 63.296 63.200 -0.007 0.000 0.790 537 S HN 0.227 nan 8.310 nan 0.000 0.510 538 K N 1.579 121.945 120.400 -0.056 0.000 2.095 538 K HA 0.329 4.649 4.320 0.000 0.000 0.252 538 K C -0.864 175.681 176.600 -0.092 0.000 0.977 538 K CA -0.574 55.623 56.287 -0.150 0.000 0.900 538 K CB 0.697 33.003 32.500 -0.322 0.000 1.060 538 K HN -0.027 nan 8.250 nan 0.000 0.449 539 K N 3.120 123.421 120.400 -0.165 0.000 2.240 539 K HA 0.222 4.542 4.320 0.000 0.000 0.271 539 K C -0.938 175.563 176.600 -0.166 0.000 1.018 539 K CA -0.337 55.918 56.287 -0.054 0.000 0.874 539 K CB 0.768 33.230 32.500 -0.063 0.000 1.098 539 K HN 0.453 nan 8.250 nan 0.000 0.458 540 Y N 3.058 123.358 120.300 -0.000 0.000 2.387 540 Y HA 0.264 4.814 4.550 -0.000 0.000 0.336 540 Y C -1.728 174.099 175.900 -0.122 0.000 1.067 540 Y CA -2.338 55.739 58.100 -0.038 0.000 1.114 540 Y CB 1.299 39.793 38.460 0.057 0.000 1.208 540 Y HN 0.441 nan 8.280 nan 0.000 0.458 541 P HA 0.082 nan 4.420 nan 0.000 0.271 541 P C -1.028 176.117 177.300 -0.258 0.000 1.218 541 P CA -0.045 62.757 63.100 -0.497 0.000 0.780 541 P CB 1.407 32.403 31.700 -1.173 0.000 0.901 542 L N 3.397 124.517 121.223 -0.171 0.000 2.365 542 L HA 0.567 4.907 4.340 0.000 0.000 0.273 542 L C -1.178 175.863 176.870 0.285 0.000 1.000 542 L CA -1.208 53.676 54.840 0.074 0.000 0.819 542 L CB 1.765 43.880 42.059 0.093 0.000 1.284 542 L HN 0.165 nan 8.230 nan 0.000 0.418 543 L N 5.342 126.753 121.223 0.314 0.000 2.319 543 L HA 0.495 4.836 4.340 0.000 0.000 0.281 543 L C -1.290 175.818 176.870 0.396 0.000 1.005 543 L CA -0.338 54.750 54.840 0.413 0.000 0.828 543 L CB 1.546 43.811 42.059 0.345 0.000 1.227 543 L HN 0.627 nan 8.230 nan 0.000 0.415 544 L N 4.946 126.454 121.223 0.475 0.000 2.313 544 L HA 0.394 4.734 4.340 0.000 0.000 0.282 544 L C -0.543 176.587 176.870 0.433 0.000 1.092 544 L CA 0.345 55.458 54.840 0.456 0.000 0.831 544 L CB 0.612 42.989 42.059 0.530 0.000 1.159 544 L HN 0.660 nan 8.230 nan 0.000 0.442 545 D N 4.369 124.994 120.400 0.376 0.000 2.329 545 D HA 0.299 4.939 4.640 0.000 0.000 0.232 545 D C -1.083 175.314 176.300 0.162 0.000 1.088 545 D CA -0.061 54.094 54.000 0.258 0.000 0.835 545 D CB 1.407 42.421 40.800 0.356 0.000 1.078 545 D HN 0.328 nan 8.370 nan 0.000 0.495 546 V N 5.912 125.840 119.914 0.024 0.000 2.680 546 V HA 0.478 4.598 4.120 0.000 0.000 0.309 546 V C -1.054 175.150 176.094 0.183 0.000 1.052 546 V CA -0.447 61.940 62.300 0.145 0.000 0.908 546 V CB 1.724 33.649 31.823 0.169 0.000 1.001 546 V HN 0.626 nan 8.190 nan 0.000 0.431 547 Y N 5.418 125.799 120.300 0.136 0.000 3.127 547 Y HA 0.561 5.111 4.550 0.000 0.000 0.196 547 Y C 1.541 177.598 175.900 0.262 0.000 0.920 547 Y CA 1.265 59.475 58.100 0.185 0.000 1.664 547 Y CB -0.043 38.509 38.460 0.155 0.000 1.399 547 Y HN 1.487 nan 8.280 nan 0.000 0.435 548 A N 0.876 123.804 122.820 0.179 0.000 2.899 548 A HA -0.129 4.191 4.320 0.000 0.000 0.257 548 A C 0.997 178.458 177.584 -0.205 0.000 1.335 548 A CA 1.085 53.150 52.037 0.047 0.000 0.924 548 A CB -2.432 16.717 19.000 0.247 0.000 1.105 548 A HN 1.008 nan 8.150 nan 0.000 0.765 549 G N -0.942 107.466 108.800 -0.653 0.000 2.651 549 G HA2 0.497 4.457 3.960 0.000 0.000 0.260 549 G HA3 0.497 4.457 3.960 0.000 0.000 0.260 549 G C -2.279 172.153 174.900 -0.780 0.000 1.216 549 G CA -0.862 43.479 45.100 -1.265 0.000 0.913 549 G HN 0.297 nan 8.290 nan 0.000 0.535 550 P HA 0.093 nan 4.420 nan 0.000 0.264 550 P C 0.563 177.591 177.300 -0.454 0.000 1.193 550 P CA 0.026 62.749 63.100 -0.630 0.000 0.763 550 P CB 0.747 31.698 31.700 -1.248 0.000 0.810 551 C N 2.361 121.474 119.300 -0.311 0.000 4.331 551 C HA -0.147 4.313 4.460 0.000 0.000 0.293 551 C C 0.922 175.833 174.990 -0.132 0.000 1.436 551 C CA 1.155 59.982 59.018 -0.319 0.000 1.993 551 C CB -2.776 24.657 27.740 -0.511 0.000 1.266 551 C HN 0.788 nan 8.230 nan 0.000 0.795 552 S N -0.007 115.555 115.700 -0.229 0.000 2.632 552 S HA 0.603 5.073 4.470 0.000 0.000 0.271 552 S C -0.646 173.962 174.600 0.013 0.000 1.260 552 S CA -0.011 58.031 58.200 -0.263 0.000 1.010 552 S CB 1.749 64.383 63.200 -0.942 0.000 0.965 552 S HN 0.823 nan 8.310 nan 0.000 0.534 553 Q N 0.143 120.042 119.800 0.165 0.000 2.309 553 Q HA 0.372 4.712 4.340 0.000 0.000 0.254 553 Q C -0.804 175.321 176.000 0.207 0.000 0.938 553 Q CA -0.579 55.359 55.803 0.225 0.000 0.789 553 Q CB 1.071 30.021 28.738 0.353 0.000 1.313 553 Q HN 0.692 nan 8.270 nan 0.000 0.438 554 K N 1.316 121.829 120.400 0.188 0.000 2.374 554 K HA 0.347 4.667 4.320 0.000 0.000 0.202 554 K C -0.510 176.203 176.600 0.190 0.000 1.040 554 K CA 0.293 56.705 56.287 0.207 0.000 1.085 554 K CB 1.638 34.284 32.500 0.244 0.000 0.873 554 K HN 0.512 nan 8.250 nan 0.000 0.539 555 A N 2.785 125.716 122.820 0.185 0.000 2.316 555 A HA 0.417 4.737 4.320 0.000 0.000 0.324 555 A C -0.776 176.875 177.584 0.111 0.000 1.375 555 A CA -0.538 51.608 52.037 0.181 0.000 0.882 555 A CB 0.152 19.317 19.000 0.275 0.000 1.152 555 A HN 0.218 nan 8.150 nan 0.000 0.512 556 D N 0.013 120.454 120.400 0.068 0.000 2.744 556 D HA 0.455 5.095 4.640 0.000 0.000 0.304 556 D C 0.337 176.641 176.300 0.006 0.000 1.179 556 D CA 0.228 54.251 54.000 0.037 0.000 1.024 556 D CB 0.370 41.188 40.800 0.030 0.000 1.453 556 D HN 0.160 nan 8.370 nan 0.000 0.529 557 T N -2.105 112.463 114.554 0.024 0.000 3.251 557 T HA 0.380 4.730 4.350 0.000 0.000 0.259 557 T C 0.195 174.849 174.700 -0.077 0.000 0.998 557 T CA -0.468 61.643 62.100 0.018 0.000 0.905 557 T CB -0.871 68.053 68.868 0.094 0.000 1.067 557 T HN 0.253 nan 8.240 nan 0.000 0.569 558 V N 2.287 122.062 119.914 -0.232 0.000 2.546 558 V HA 0.420 4.540 4.120 0.000 0.000 0.284 558 V C -0.061 175.987 176.094 -0.078 0.000 1.050 558 V CA -1.149 60.983 62.300 -0.281 0.000 0.981 558 V CB 0.642 32.176 31.823 -0.482 0.000 0.990 558 V HN 0.588 nan 8.190 nan 0.000 0.474 559 F N 6.036 125.899 119.950 -0.145 0.000 2.420 559 F HA 0.580 5.108 4.527 0.000 0.000 0.352 559 F C 0.445 176.201 175.800 -0.074 0.000 1.108 559 F CA -0.200 57.742 58.000 -0.097 0.000 1.162 559 F CB 0.319 39.272 39.000 -0.078 0.000 1.118 559 F HN 0.421 nan 8.300 nan 0.000 0.510 560 R N 6.440 126.470 120.500 -0.783 0.000 2.686 560 R HA 0.540 4.880 4.340 0.000 0.000 0.283 560 R C -1.575 174.265 176.300 -0.765 0.000 0.978 560 R CA -1.040 54.719 56.100 -0.567 0.000 0.897 560 R CB 2.092 32.235 30.300 -0.262 0.000 1.192 560 R HN 0.658 nan 8.270 nan 0.000 0.457 561 L N 4.131 125.093 121.223 -0.435 0.000 2.283 561 L HA 0.406 4.746 4.340 0.000 0.000 0.281 561 L C -0.444 176.373 176.870 -0.088 0.000 1.033 561 L CA -0.544 54.115 54.840 -0.301 0.000 0.848 561 L CB 0.368 42.410 42.059 -0.027 0.000 1.226 561 L HN 0.780 nan 8.230 nan 0.000 0.429 562 N N 0.426 118.984 118.700 -0.237 0.000 3.506 562 N HA 0.159 4.899 4.740 0.000 0.000 0.331 562 N C 0.164 175.302 175.510 -0.619 0.000 1.631 562 N CA -0.868 51.934 53.050 -0.413 0.000 0.786 562 N CB 0.122 38.515 38.487 -0.156 0.000 2.023 562 N HN 0.281 nan 8.380 nan 0.000 0.621 563 W N 0.686 121.435 121.300 -0.919 0.000 2.355 563 W HA 0.151 4.810 4.660 -0.001 0.000 0.309 563 W C 2.205 178.673 176.519 -0.086 0.000 1.206 563 W CA 3.092 60.136 57.345 -0.501 0.000 1.284 563 W CB -1.104 28.235 29.460 -0.201 0.000 1.145 563 W HN 0.708 nan 8.180 nan 0.000 0.502 564 A N -0.146 122.650 122.820 -0.040 0.000 1.927 564 A HA -0.319 4.001 4.320 0.000 0.000 0.220 564 A C 1.949 179.411 177.584 -0.204 0.000 1.185 564 A CA 3.133 55.084 52.037 -0.144 0.000 0.639 564 A CB -1.454 17.544 19.000 -0.003 0.000 0.820 564 A HN 0.358 nan 8.150 nan 0.000 0.451 565 T N -1.447 112.980 114.554 -0.211 0.000 2.684 565 T HA -0.235 4.115 4.350 0.000 0.000 0.267 565 T C 1.780 176.413 174.700 -0.112 0.000 1.036 565 T CA 1.786 63.710 62.100 -0.292 0.000 1.148 565 T CB -0.564 67.939 68.868 -0.608 0.000 0.863 565 T HN 0.713 nan 8.240 nan 0.000 0.436 566 Y N 1.917 122.232 120.300 0.025 0.000 2.145 566 Y HA -0.086 4.464 4.550 -0.000 0.000 0.286 566 Y C 2.047 177.938 175.900 -0.016 0.000 1.145 566 Y CA 1.099 59.312 58.100 0.189 0.000 1.148 566 Y CB -0.601 38.001 38.460 0.235 0.000 0.981 566 Y HN 0.093 nan 8.280 nan 0.000 0.507 567 L N 0.470 121.237 121.223 -0.761 0.000 2.042 567 L HA -0.250 4.090 4.340 0.000 0.000 0.210 567 L C 2.891 179.505 176.870 -0.427 0.000 1.076 567 L CA 1.286 55.638 54.840 -0.813 0.000 0.749 567 L CB -1.004 40.632 42.059 -0.704 0.000 0.893 567 L HN 0.460 nan 8.230 nan 0.000 0.432 568 A N -1.024 121.627 122.820 -0.282 0.000 1.841 568 A HA -0.213 4.107 4.320 0.000 0.000 0.214 568 A C 2.525 180.040 177.584 -0.115 0.000 1.195 568 A CA 1.928 53.864 52.037 -0.167 0.000 0.611 568 A CB -0.852 18.052 19.000 -0.159 0.000 0.835 568 A HN 0.331 nan 8.150 nan 0.000 0.443 569 S N -1.192 114.453 115.700 -0.093 0.000 2.351 569 S HA -0.150 4.320 4.470 0.000 0.000 0.220 569 S C 2.048 176.659 174.600 0.019 0.000 1.035 569 S CA 2.422 60.618 58.200 -0.006 0.000 1.031 569 S CB -0.520 62.734 63.200 0.089 0.000 0.928 569 S HN 0.610 nan 8.310 nan 0.000 0.433 570 T N 1.227 115.776 114.554 -0.008 0.000 2.976 570 T HA 0.156 4.506 4.350 0.000 0.000 0.257 570 T C 1.386 176.057 174.700 -0.048 0.000 1.051 570 T CA 0.652 62.769 62.100 0.029 0.000 1.141 570 T CB -0.103 68.882 68.868 0.194 0.000 0.881 570 T HN 0.329 nan 8.240 nan 0.000 0.461 571 E N 1.135 121.214 120.200 -0.202 0.000 2.474 571 E HA 0.165 4.515 4.350 0.000 0.000 0.195 571 E C -0.003 176.574 176.600 -0.039 0.000 1.039 571 E CA -0.097 56.224 56.400 -0.131 0.000 0.881 571 E CB -0.284 29.278 29.700 -0.231 0.000 0.970 571 E HN 0.460 nan 8.360 nan 0.000 0.486 572 N N 0.683 119.375 118.700 -0.013 0.000 2.727 572 N HA -0.200 4.540 4.740 0.000 0.000 0.249 572 N C -0.892 174.702 175.510 0.140 0.000 1.048 572 N CA 0.412 53.522 53.050 0.101 0.000 0.714 572 N CB -1.277 37.299 38.487 0.149 0.000 0.959 572 N HN 0.235 nan 8.380 nan 0.000 0.544 573 I N 0.508 121.096 120.570 0.029 0.000 2.392 573 I HA 0.358 4.528 4.170 0.000 0.000 0.295 573 I C 0.659 176.776 176.117 0.000 0.000 0.985 573 I CA -0.876 60.446 61.300 0.037 0.000 1.221 573 I CB 1.258 39.285 38.000 0.046 0.000 1.366 573 I HN 0.008 nan 8.210 nan 0.000 0.467 574 I N 6.134 126.717 120.570 0.020 0.000 2.441 574 I HA 0.200 4.370 4.170 0.000 0.000 0.287 574 I C -0.082 176.038 176.117 0.006 0.000 1.049 574 I CA -0.453 60.826 61.300 -0.036 0.000 1.381 574 I CB 1.365 39.348 38.000 -0.029 0.000 1.409 574 I HN 0.301 nan 8.210 nan 0.000 0.523 575 V N 6.490 126.394 119.914 -0.018 0.000 2.350 575 V HA 0.818 4.938 4.120 0.000 0.000 0.285 575 V C -0.056 176.078 176.094 0.067 0.000 1.014 575 V CA -0.158 62.179 62.300 0.061 0.000 0.831 575 V CB 1.096 32.961 31.823 0.070 0.000 1.000 575 V HN 0.803 nan 8.190 nan 0.000 0.433 576 A N 4.933 127.815 122.820 0.105 0.000 2.306 576 A HA 0.937 5.257 4.320 0.000 0.000 0.330 576 A C 0.083 177.831 177.584 0.274 0.000 1.146 576 A CA -0.513 51.583 52.037 0.098 0.000 0.827 576 A CB 1.702 20.605 19.000 -0.161 0.000 1.178 576 A HN 1.026 nan 8.150 nan 0.000 0.490 577 S N -0.294 115.609 115.700 0.339 0.000 2.568 577 S HA 0.793 5.263 4.470 0.000 0.000 0.293 577 S C -1.444 173.515 174.600 0.598 0.000 1.089 577 S CA -0.281 58.168 58.200 0.414 0.000 0.945 577 S CB 1.333 64.719 63.200 0.311 0.000 1.077 577 S HN 0.725 nan 8.310 nan 0.000 0.485 578 F N 1.674 121.851 119.950 0.377 0.000 2.574 578 F HA 0.414 4.941 4.527 0.000 0.000 0.313 578 F C -1.676 174.307 175.800 0.305 0.000 1.130 578 F CA -0.723 57.515 58.000 0.398 0.000 0.936 578 F CB 1.487 40.703 39.000 0.361 0.000 1.219 578 F HN 0.393 nan 8.300 nan 0.000 0.445 579 D N 4.868 125.084 120.400 -0.307 0.000 2.467 579 D HA 0.360 5.000 4.640 0.000 0.000 0.220 579 D C 0.428 176.438 176.300 -0.485 0.000 1.103 579 D CA 0.109 53.982 54.000 -0.211 0.000 0.886 579 D CB 1.443 42.259 40.800 0.027 0.000 1.025 579 D HN 0.747 nan 8.370 nan 0.000 0.514 580 G N 1.351 109.955 108.800 -0.326 0.000 2.630 580 G HA2 0.268 4.228 3.960 0.000 0.000 0.223 580 G HA3 0.268 4.228 3.960 0.000 0.000 0.223 580 G C 0.244 175.127 174.900 -0.029 0.000 1.434 580 G CA -0.678 44.257 45.100 -0.276 0.000 1.057 580 G HN 0.277 nan 8.290 nan 0.000 0.570 581 R N -0.868 119.601 120.500 -0.052 0.000 2.679 581 R HA 0.374 4.714 4.340 0.000 0.000 0.268 581 R C 1.330 177.687 176.300 0.094 0.000 1.044 581 R CA 1.356 57.518 56.100 0.103 0.000 1.105 581 R CB 0.459 30.809 30.300 0.084 0.000 0.989 581 R HN 1.027 nan 8.270 nan 0.000 0.447 582 G N 0.791 109.638 108.800 0.079 0.000 2.253 582 G HA2 -0.351 3.609 3.960 0.000 0.000 0.251 582 G HA3 -0.351 3.609 3.960 0.000 0.000 0.251 582 G C 0.204 175.067 174.900 -0.062 0.000 0.998 582 G CA 0.344 45.456 45.100 0.021 0.000 0.621 582 G HN 0.746 nan 8.290 nan 0.000 0.524 583 S N 0.323 116.002 115.700 -0.035 0.000 2.596 583 S HA 0.630 5.100 4.470 0.000 0.000 0.260 583 S C 0.847 175.388 174.600 -0.100 0.000 1.336 583 S CA 0.502 58.662 58.200 -0.066 0.000 0.993 583 S CB 1.676 64.880 63.200 0.007 0.000 0.923 583 S HN 1.706 nan 8.310 nan 0.000 0.567 584 G N -1.103 107.609 108.800 -0.146 0.000 2.521 584 G HA2 0.511 4.471 3.960 0.000 0.000 0.323 584 G HA3 0.511 4.471 3.960 0.000 0.000 0.323 584 G C -0.925 173.847 174.900 -0.214 0.000 1.211 584 G CA -1.110 43.750 45.100 -0.400 0.000 0.979 584 G HN 1.037 nan 8.290 nan 0.000 0.490 585 Y N -2.301 117.986 120.300 -0.021 0.000 4.409 585 Y HA -0.233 4.317 4.550 -0.000 0.000 0.228 585 Y C 1.285 177.189 175.900 0.007 0.000 1.108 585 Y CA 0.991 59.091 58.100 -0.001 0.000 1.955 585 Y CB -2.043 36.432 38.460 0.026 0.000 1.615 585 Y HN 0.534 nan 8.280 nan 0.000 0.665 586 Q N -0.033 119.791 119.800 0.040 0.000 2.086 586 Q HA 0.486 4.826 4.340 0.000 0.000 0.220 586 Q C 0.897 176.813 176.000 -0.140 0.000 0.792 586 Q CA 0.161 56.000 55.803 0.061 0.000 1.062 586 Q CB 1.813 30.575 28.738 0.040 0.000 1.198 586 Q HN 0.591 nan 8.270 nan 0.000 0.466 587 G N 0.818 109.423 108.800 -0.326 0.000 2.707 587 G HA2 -0.189 3.771 3.960 0.000 0.000 0.686 587 G HA3 -0.189 3.771 3.960 0.000 0.000 0.686 587 G C -0.470 174.066 174.900 -0.606 0.000 1.315 587 G CA -0.455 44.189 45.100 -0.760 0.000 0.832 587 G HN 0.110 nan 8.290 nan 0.000 0.573 588 D N -0.057 119.943 120.400 -0.667 0.000 2.224 588 D HA -0.042 4.598 4.640 0.000 0.000 0.205 588 D C 2.247 178.238 176.300 -0.516 0.000 0.965 588 D CA 1.377 54.921 54.000 -0.759 0.000 0.852 588 D CB 0.035 40.390 40.800 -0.742 0.000 0.947 588 D HN 0.486 nan 8.370 nan 0.000 0.494 589 K N 1.173 121.339 120.400 -0.391 0.000 2.044 589 K HA -0.112 4.208 4.320 0.000 0.000 0.210 589 K C 1.926 178.432 176.600 -0.157 0.000 1.049 589 K CA 1.125 57.274 56.287 -0.230 0.000 0.927 589 K CB -0.487 31.885 32.500 -0.213 0.000 0.713 589 K HN 0.133 nan 8.250 nan 0.000 0.443 590 I N -0.213 120.254 120.570 -0.172 0.000 2.277 590 I HA -0.154 4.016 4.170 0.000 0.000 0.243 590 I C 2.607 178.687 176.117 -0.062 0.000 1.094 590 I CA 1.134 62.403 61.300 -0.051 0.000 1.393 590 I CB -0.161 37.831 38.000 -0.014 0.000 1.078 590 I HN 0.283 nan 8.210 nan 0.000 0.417 591 M N 0.054 119.534 119.600 -0.200 0.000 2.132 591 M HA -0.212 4.268 4.480 0.000 0.000 0.263 591 M C 2.078 178.353 176.300 -0.042 0.000 1.065 591 M CA 1.794 56.983 55.300 -0.184 0.000 1.122 591 M CB -0.238 32.146 32.600 -0.360 0.000 1.365 591 M HN 0.261 nan 8.290 nan 0.000 0.411 592 H N -0.165 118.787 119.070 -0.197 0.000 2.556 592 H HA 0.191 4.747 4.556 -0.000 0.000 0.268 592 H C 1.917 177.257 175.328 0.020 0.000 0.996 592 H CA 0.804 56.760 56.048 -0.153 0.000 1.157 592 H CB -0.649 28.949 29.762 -0.273 0.000 1.355 592 H HN 0.479 nan 8.280 nan 0.000 0.597 593 A N 1.392 124.297 122.820 0.142 0.000 2.032 593 A HA -0.163 4.157 4.320 0.000 0.000 0.221 593 A C 1.870 179.639 177.584 0.308 0.000 1.165 593 A CA 1.711 53.848 52.037 0.166 0.000 0.645 593 A CB -0.570 18.486 19.000 0.094 0.000 0.807 593 A HN 0.372 nan 8.150 nan 0.000 0.453 594 I N -2.484 118.244 120.570 0.263 0.000 3.928 594 I HA 0.173 4.343 4.170 0.000 0.000 0.335 594 I C 0.287 176.487 176.117 0.138 0.000 1.325 594 I CA -1.248 60.175 61.300 0.204 0.000 1.107 594 I CB -1.454 36.633 38.000 0.145 0.000 1.014 594 I HN 0.224 nan 8.210 nan 0.000 0.400 595 N N 3.124 121.955 118.700 0.219 0.000 2.294 595 N HA -0.107 4.633 4.740 0.000 0.000 0.263 595 N C 0.221 175.763 175.510 0.053 0.000 1.281 595 N CA 0.411 53.584 53.050 0.205 0.000 0.846 595 N CB 0.248 38.831 38.487 0.160 0.000 1.061 595 N HN 0.352 nan 8.380 nan 0.000 0.478 596 R N 0.794 121.301 120.500 0.011 0.000 4.016 596 R HA -0.160 4.180 4.340 0.000 0.000 0.385 596 R C -0.271 175.889 176.300 -0.234 0.000 1.158 596 R CA 0.824 56.883 56.100 -0.068 0.000 1.117 596 R CB -0.772 29.505 30.300 -0.037 0.000 1.635 596 R HN 0.655 nan 8.270 nan 0.000 0.560 597 R N 0.308 120.658 120.500 -0.250 0.000 2.635 597 R HA 0.189 4.529 4.340 0.000 0.000 0.393 597 R C -0.668 175.586 176.300 -0.077 0.000 1.070 597 R CA -0.616 55.179 56.100 -0.508 0.000 1.118 597 R CB 0.431 30.480 30.300 -0.418 0.000 1.341 597 R HN -0.105 nan 8.270 nan 0.000 0.628 598 L N 0.391 121.676 121.223 0.103 0.000 2.506 598 L HA 0.179 4.519 4.340 0.000 0.000 0.281 598 L C 1.540 178.667 176.870 0.428 0.000 1.228 598 L CA 1.569 56.518 54.840 0.182 0.000 0.850 598 L CB 0.228 42.183 42.059 -0.173 0.000 1.110 598 L HN 0.741 nan 8.230 nan 0.000 0.496 599 G N 0.921 110.001 108.800 0.466 0.000 2.176 599 G HA2 -0.295 3.665 3.960 0.000 0.000 0.252 599 G HA3 -0.295 3.665 3.960 0.000 0.000 0.252 599 G C 0.544 175.534 174.900 0.150 0.000 1.024 599 G CA 0.987 46.292 45.100 0.341 0.000 0.755 599 G HN 0.956 nan 8.290 nan 0.000 0.507 600 T N -3.862 110.738 114.554 0.076 0.000 2.995 600 T HA 0.480 4.830 4.350 0.000 0.000 0.170 600 T C 1.621 176.285 174.700 -0.059 0.000 0.844 600 T CA 0.882 62.914 62.100 -0.113 0.000 1.137 600 T CB 0.014 68.633 68.868 -0.416 0.000 2.193 600 T HN 0.162 nan 8.240 nan 0.000 0.384 601 F N 3.475 123.468 119.950 0.071 0.000 2.126 601 F HA 0.061 4.588 4.527 0.000 0.000 0.299 601 F C 2.815 178.646 175.800 0.051 0.000 1.096 601 F CA 1.366 59.393 58.000 0.045 0.000 1.255 601 F CB -0.685 38.335 39.000 0.033 0.000 0.997 601 F HN 0.530 nan 8.300 nan 0.000 0.479 602 E N 0.757 121.108 120.200 0.252 0.000 2.204 602 E HA -0.114 4.236 4.350 0.000 0.000 0.194 602 E C 2.076 178.787 176.600 0.185 0.000 0.989 602 E CA 1.327 57.851 56.400 0.207 0.000 0.824 602 E CB -1.008 28.820 29.700 0.213 0.000 0.756 602 E HN 0.304 nan 8.360 nan 0.000 0.477 603 V N 1.644 121.644 119.914 0.144 0.000 2.302 603 V HA -0.185 3.935 4.120 0.000 0.000 0.243 603 V C 2.368 178.499 176.094 0.063 0.000 1.036 603 V CA 1.948 64.289 62.300 0.069 0.000 1.020 603 V CB -0.567 31.253 31.823 -0.004 0.000 0.657 603 V HN 0.195 nan 8.190 nan 0.000 0.453 604 E N 0.287 120.537 120.200 0.083 0.000 2.097 604 E HA -0.272 4.078 4.350 0.000 0.000 0.196 604 E C 1.908 178.536 176.600 0.046 0.000 1.000 604 E CA 1.691 58.136 56.400 0.076 0.000 0.804 604 E CB -0.214 29.566 29.700 0.132 0.000 0.740 604 E HN 0.586 nan 8.360 nan 0.000 0.454 605 D N 0.210 120.652 120.400 0.071 0.000 2.219 605 D HA -0.131 4.509 4.640 0.000 0.000 0.205 605 D C 1.957 178.231 176.300 -0.043 0.000 0.970 605 D CA 0.737 54.752 54.000 0.026 0.000 0.851 605 D CB -0.112 40.756 40.800 0.114 0.000 0.943 605 D HN 0.127 nan 8.370 nan 0.000 0.488 606 Q N 0.071 119.912 119.800 0.068 0.000 2.123 606 Q HA -0.009 4.331 4.340 0.000 0.000 0.199 606 Q C 2.542 178.573 176.000 0.051 0.000 0.966 606 Q CA 0.478 56.327 55.803 0.076 0.000 0.845 606 Q CB -0.044 28.781 28.738 0.145 0.000 0.907 606 Q HN 0.422 nan 8.270 nan 0.000 0.439 607 I N 0.729 121.347 120.570 0.079 0.000 2.226 607 I HA -0.256 3.914 4.170 0.000 0.000 0.245 607 I C 2.395 178.464 176.117 -0.080 0.000 1.100 607 I CA 1.153 62.537 61.300 0.141 0.000 1.374 607 I CB -0.200 37.869 38.000 0.115 0.000 1.057 607 I HN 0.129 nan 8.210 nan 0.000 0.413 608 E N 1.496 121.593 120.200 -0.171 0.000 2.077 608 E HA -0.193 4.157 4.350 0.000 0.000 0.193 608 E C 2.141 178.423 176.600 -0.531 0.000 0.989 608 E CA 1.643 57.873 56.400 -0.284 0.000 0.800 608 E CB -0.220 29.340 29.700 -0.233 0.000 0.746 608 E HN 0.403 nan 8.360 nan 0.000 0.452 609 A N 0.924 123.258 122.820 -0.809 0.000 1.883 609 A HA -0.148 4.172 4.320 0.000 0.000 0.217 609 A C 2.478 179.284 177.584 -1.297 0.000 1.186 609 A CA 2.486 53.708 52.037 -1.359 0.000 0.624 609 A CB -1.197 16.829 19.000 -1.622 0.000 0.822 609 A HN 0.398 nan 8.150 nan 0.000 0.444 610 A N -0.301 122.149 122.820 -0.617 0.000 1.883 610 A HA -0.194 4.126 4.320 0.000 0.000 0.217 610 A C 2.239 179.603 177.584 -0.367 0.000 1.186 610 A CA 1.582 53.411 52.037 -0.346 0.000 0.624 610 A CB -0.535 18.288 19.000 -0.294 0.000 0.822 610 A HN 0.564 nan 8.150 nan 0.000 0.444 611 R N -0.752 119.535 120.500 -0.355 0.000 2.103 611 R HA -0.163 4.177 4.340 0.000 0.000 0.242 611 R C 2.414 178.538 176.300 -0.294 0.000 1.142 611 R CA 1.560 57.493 56.100 -0.278 0.000 0.960 611 R CB -0.377 29.789 30.300 -0.223 0.000 0.858 611 R HN 0.605 nan 8.270 nan 0.000 0.439 612 Q N -0.186 119.358 119.800 -0.427 0.000 2.079 612 Q HA -0.111 4.229 4.340 0.000 0.000 0.200 612 Q C 2.061 177.883 176.000 -0.296 0.000 0.974 612 Q CA 1.301 56.867 55.803 -0.396 0.000 0.840 612 Q CB -0.175 28.253 28.738 -0.518 0.000 0.898 612 Q HN 0.298 nan 8.270 nan 0.000 0.430 613 F N 1.109 120.884 119.950 -0.292 0.000 2.269 613 F HA -0.097 4.430 4.527 -0.000 0.000 0.301 613 F C 2.504 178.117 175.800 -0.312 0.000 1.082 613 F CA 0.669 58.485 58.000 -0.307 0.000 1.360 613 F CB -0.869 37.994 39.000 -0.230 0.000 1.041 613 F HN -0.052 nan 8.300 nan 0.000 0.512 614 S N -0.124 115.517 115.700 -0.099 0.000 2.383 614 S HA -0.155 4.315 4.470 0.000 0.000 0.227 614 S C 1.733 176.233 174.600 -0.166 0.000 1.026 614 S CA 0.995 59.112 58.200 -0.138 0.000 0.981 614 S CB -0.300 62.815 63.200 -0.142 0.000 0.818 614 S HN 0.393 nan 8.310 nan 0.000 0.472 615 K N 0.704 121.005 120.400 -0.165 0.000 2.525 615 K HA 0.214 4.534 4.320 0.000 0.000 0.192 615 K C 1.317 177.809 176.600 -0.180 0.000 1.029 615 K CA 0.313 56.510 56.287 -0.150 0.000 1.029 615 K CB -0.147 32.277 32.500 -0.128 0.000 0.814 615 K HN 0.381 nan 8.250 nan 0.000 0.503 616 M N -0.680 118.750 119.600 -0.285 0.000 2.595 616 M HA 0.028 4.508 4.480 0.000 0.000 0.248 616 M C 1.254 177.248 176.300 -0.510 0.000 1.119 616 M CA 0.745 55.790 55.300 -0.425 0.000 1.079 616 M CB 0.395 32.608 32.600 -0.645 0.000 1.472 616 M HN 0.481 nan 8.290 nan 0.000 0.501 617 G N 1.100 109.681 108.800 -0.364 0.000 2.336 617 G HA2 -0.324 3.636 3.960 0.000 0.000 0.233 617 G HA3 -0.324 3.636 3.960 0.000 0.000 0.233 617 G C 0.569 175.425 174.900 -0.074 0.000 1.053 617 G CA 0.439 45.439 45.100 -0.166 0.000 0.625 617 G HN 0.614 nan 8.290 nan 0.000 0.511 618 F N 0.827 120.831 119.950 0.092 0.000 2.660 618 F HA 0.756 5.283 4.527 -0.000 0.000 0.302 618 F C 0.290 176.192 175.800 0.170 0.000 1.103 618 F CA -0.727 57.358 58.000 0.141 0.000 1.340 618 F CB 0.304 39.439 39.000 0.226 0.000 1.048 618 F HN 0.084 nan 8.300 nan 0.000 0.551 619 V N 1.642 121.580 119.914 0.040 0.000 2.417 619 V HA 0.162 4.282 4.120 0.000 0.000 0.291 619 V C -0.704 175.389 176.094 -0.002 0.000 1.024 619 V CA -0.822 61.517 62.300 0.065 0.000 0.861 619 V CB 1.432 33.232 31.823 -0.040 0.000 0.985 619 V HN 0.097 nan 8.190 nan 0.000 0.436 620 D N 3.833 124.227 120.400 -0.009 0.000 2.344 620 D HA 0.052 4.692 4.640 0.000 0.000 0.253 620 D C 1.073 177.327 176.300 -0.076 0.000 1.255 620 D CA -0.262 53.701 54.000 -0.061 0.000 0.894 620 D CB 0.637 41.378 40.800 -0.098 0.000 1.067 620 D HN 0.652 nan 8.370 nan 0.000 0.492 621 N N 3.036 121.692 118.700 -0.073 0.000 2.521 621 N HA -0.093 4.647 4.740 0.000 0.000 0.188 621 N C 0.660 176.128 175.510 -0.068 0.000 1.146 621 N CA 0.437 53.437 53.050 -0.083 0.000 0.893 621 N CB 0.099 38.529 38.487 -0.095 0.000 0.975 621 N HN 0.288 nan 8.380 nan 0.000 0.451 622 K N 0.035 120.403 120.400 -0.053 0.000 2.404 622 K HA 0.180 4.500 4.320 0.000 0.000 0.194 622 K C 0.055 176.658 176.600 0.004 0.000 1.023 622 K CA 0.106 56.379 56.287 -0.024 0.000 1.094 622 K CB 0.541 33.028 32.500 -0.022 0.000 0.841 622 K HN 0.253 nan 8.250 nan 0.000 0.523 623 R N 1.118 121.598 120.500 -0.034 0.000 2.674 623 R HA 0.361 4.701 4.340 0.000 0.000 0.270 623 R C -0.830 175.457 176.300 -0.021 0.000 1.492 623 R CA -0.134 55.948 56.100 -0.030 0.000 1.624 623 R CB 0.572 30.690 30.300 -0.302 0.000 1.307 623 R HN -0.025 nan 8.270 nan 0.000 0.683 624 I N 1.025 121.678 120.570 0.138 0.000 2.378 624 I HA 0.582 4.752 4.170 0.000 0.000 0.291 624 I C 0.093 176.480 176.117 0.450 0.000 0.992 624 I CA -0.723 60.690 61.300 0.189 0.000 1.154 624 I CB 1.886 39.829 38.000 -0.095 0.000 1.315 624 I HN 0.246 nan 8.210 nan 0.000 0.448 625 A N 6.947 130.134 122.820 0.613 0.000 2.435 625 A HA 0.927 5.247 4.320 0.000 0.000 0.296 625 A C -1.195 176.754 177.584 0.608 0.000 1.147 625 A CA -0.642 51.749 52.037 0.590 0.000 0.775 625 A CB 2.082 21.307 19.000 0.375 0.000 1.340 625 A HN 0.732 nan 8.150 nan 0.000 0.427 626 I N 0.885 121.728 120.570 0.456 0.000 2.644 626 I HA 0.684 4.854 4.170 0.000 0.000 0.291 626 I C -1.856 174.516 176.117 0.425 0.000 1.180 626 I CA -0.450 61.051 61.300 0.336 0.000 1.040 626 I CB 1.440 39.360 38.000 -0.133 0.000 1.255 626 I HN 0.922 nan 8.210 nan 0.000 0.422 627 W N 7.250 128.686 121.300 0.226 0.000 3.118 627 W HA 0.879 5.539 4.660 0.000 0.000 0.328 627 W C -1.408 175.254 176.519 0.238 0.000 1.239 627 W CA -1.053 56.430 57.345 0.229 0.000 1.176 627 W CB 1.174 30.820 29.460 0.311 0.000 1.433 627 W HN 0.826 nan 8.180 nan 0.000 0.562 628 G N 0.755 109.449 108.800 -0.177 0.000 2.547 628 G HA2 0.447 4.407 3.960 0.000 0.000 0.291 628 G HA3 0.447 4.407 3.960 0.000 0.000 0.291 628 G C -2.751 172.045 174.900 -0.174 0.000 1.471 628 G CA -0.747 44.106 45.100 -0.411 0.000 0.798 628 G HN 0.598 nan 8.290 nan 0.000 0.504 629 W N 1.061 122.173 121.300 -0.314 0.000 2.689 629 W HA 0.569 5.230 4.660 0.001 0.000 0.340 629 W C 0.917 177.378 176.519 -0.097 0.000 1.060 629 W CA 0.517 57.753 57.345 -0.181 0.000 1.218 629 W CB 1.669 30.997 29.460 -0.219 0.000 1.410 629 W HN 1.148 nan 8.180 nan 0.000 0.528 630 S N 1.757 117.673 115.700 0.360 0.000 4.114 630 S HA -0.437 4.033 4.470 0.000 0.000 0.618 630 S C 0.880 175.604 174.600 0.207 0.000 1.937 630 S CA 1.584 59.985 58.200 0.335 0.000 4.228 630 S CB -1.584 61.857 63.200 0.402 0.000 0.216 630 S HN 0.749 nan 8.310 nan 0.000 0.528 631 Y N 3.069 123.465 120.300 0.161 0.000 2.193 631 Y HA -0.083 4.467 4.550 0.000 0.000 0.285 631 Y C 2.529 178.634 175.900 0.343 0.000 1.166 631 Y CA 2.253 60.552 58.100 0.330 0.000 1.181 631 Y CB -0.981 37.798 38.460 0.532 0.000 0.976 631 Y HN 0.584 nan 8.280 nan 0.000 0.520 632 G N -0.944 108.113 108.800 0.427 0.000 2.422 632 G HA2 -0.249 3.711 3.960 0.000 0.000 0.218 632 G HA3 -0.249 3.711 3.960 0.000 0.000 0.218 632 G C 1.882 176.858 174.900 0.127 0.000 1.146 632 G CA 0.753 46.012 45.100 0.265 0.000 0.769 632 G HN 0.574 nan 8.290 nan 0.000 0.547 633 G N -0.128 108.730 108.800 0.097 0.000 2.418 633 G HA2 -0.265 3.695 3.960 0.000 0.000 0.217 633 G HA3 -0.265 3.695 3.960 0.000 0.000 0.217 633 G C 1.579 176.519 174.900 0.066 0.000 1.158 633 G CA 1.070 46.201 45.100 0.052 0.000 0.771 633 G HN 0.491 nan 8.290 nan 0.000 0.545 634 Y N 0.917 121.160 120.300 -0.096 0.000 2.097 634 Y HA -0.173 4.377 4.550 -0.000 0.000 0.282 634 Y C 2.822 178.660 175.900 -0.104 0.000 1.152 634 Y CA 1.860 59.848 58.100 -0.186 0.000 1.136 634 Y CB -0.144 38.066 38.460 -0.416 0.000 0.975 634 Y HN 0.043 nan 8.280 nan 0.000 0.498 635 V N -0.320 119.483 119.914 -0.185 0.000 2.427 635 V HA -0.282 3.838 4.120 0.000 0.000 0.248 635 V C 2.259 178.253 176.094 -0.166 0.000 1.051 635 V CA 2.271 64.452 62.300 -0.198 0.000 1.048 635 V CB -0.995 30.888 31.823 0.101 0.000 0.666 635 V HN 0.497 nan 8.190 nan 0.000 0.456 636 T N 0.055 114.567 114.554 -0.071 0.000 2.720 636 T HA -0.204 4.146 4.350 0.000 0.000 0.268 636 T C 2.134 176.769 174.700 -0.107 0.000 1.037 636 T CA 2.078 64.136 62.100 -0.069 0.000 1.144 636 T CB -0.251 68.654 68.868 0.061 0.000 0.864 636 T HN 0.527 nan 8.240 nan 0.000 0.444 637 S N 1.001 116.665 115.700 -0.060 0.000 2.368 637 S HA 0.016 4.486 4.470 0.000 0.000 0.224 637 S C 2.133 176.637 174.600 -0.159 0.000 1.029 637 S CA 0.852 59.039 58.200 -0.023 0.000 0.988 637 S CB -0.260 62.983 63.200 0.072 0.000 0.838 637 S HN 0.312 nan 8.310 nan 0.000 0.462 638 M N 1.034 120.457 119.600 -0.296 0.000 2.159 638 M HA -0.028 4.452 4.480 0.000 0.000 0.263 638 M C 2.177 178.320 176.300 -0.262 0.000 1.063 638 M CA 1.032 56.143 55.300 -0.314 0.000 1.110 638 M CB -1.383 30.923 32.600 -0.489 0.000 1.374 638 M HN 0.175 nan 8.290 nan 0.000 0.411 639 V N 0.521 120.268 119.914 -0.278 0.000 2.270 639 V HA -0.229 3.891 4.120 0.000 0.000 0.245 639 V C 2.499 178.390 176.094 -0.339 0.000 1.043 639 V CA 1.347 63.474 62.300 -0.288 0.000 1.014 639 V CB -0.578 31.002 31.823 -0.406 0.000 0.645 639 V HN 0.392 nan 8.190 nan 0.000 0.447 640 L N 0.389 121.345 121.223 -0.446 0.000 2.191 640 L HA -0.079 4.261 4.340 0.000 0.000 0.212 640 L C 2.157 178.501 176.870 -0.876 0.000 1.103 640 L CA 1.518 55.999 54.840 -0.599 0.000 0.769 640 L CB -0.681 40.971 42.059 -0.679 0.000 0.908 640 L HN 0.496 nan 8.230 nan 0.000 0.438 641 G N -1.581 106.725 108.800 -0.823 0.000 3.284 641 G HA2 -0.025 3.935 3.960 0.000 0.000 0.236 641 G HA3 -0.025 3.935 3.960 0.000 0.000 0.236 641 G C 1.451 176.202 174.900 -0.250 0.000 1.158 641 G CA 0.556 45.292 45.100 -0.607 0.000 0.774 641 G HN 0.417 nan 8.290 nan 0.000 0.545 642 S N -0.716 114.854 115.700 -0.217 0.000 2.470 642 S HA 0.311 4.781 4.470 0.000 0.000 0.225 642 S C 1.919 176.474 174.600 -0.074 0.000 1.006 642 S CA 1.070 59.204 58.200 -0.111 0.000 0.934 642 S CB -0.068 63.081 63.200 -0.084 0.000 0.778 642 S HN 1.361 nan 8.310 nan 0.000 0.517 643 G N 1.361 110.108 108.800 -0.089 0.000 2.136 643 G HA2 -0.331 3.629 3.960 0.000 0.000 0.242 643 G HA3 -0.331 3.629 3.960 0.000 0.000 0.242 643 G C 0.957 175.845 174.900 -0.019 0.000 0.989 643 G CA 0.937 46.007 45.100 -0.050 0.000 0.682 643 G HN 1.278 nan 8.290 nan 0.000 0.522 644 S N -0.593 115.107 115.700 -0.000 0.000 2.423 644 S HA 0.287 4.757 4.470 0.000 0.000 0.231 644 S C 2.600 177.208 174.600 0.012 0.000 1.014 644 S CA 1.816 60.028 58.200 0.020 0.000 0.965 644 S CB -0.261 62.979 63.200 0.066 0.000 0.785 644 S HN 2.442 nan 8.310 nan 0.000 0.495 645 G N -0.102 108.713 108.800 0.024 0.000 2.179 645 G HA2 -0.297 3.663 3.960 0.000 0.000 0.260 645 G HA3 -0.297 3.663 3.960 0.000 0.000 0.260 645 G C 0.807 175.702 174.900 -0.008 0.000 0.977 645 G CA 0.417 45.524 45.100 0.011 0.000 0.641 645 G HN 0.714 nan 8.290 nan 0.000 0.533 646 V N -0.428 119.473 119.914 -0.023 0.000 2.453 646 V HA 0.234 4.354 4.120 0.000 0.000 0.247 646 V C 1.173 177.069 176.094 -0.330 0.000 1.048 646 V CA 1.595 63.764 62.300 -0.218 0.000 1.049 646 V CB -0.364 31.252 31.823 -0.346 0.000 0.672 646 V HN 0.309 nan 8.190 nan 0.000 0.457 647 F N -0.252 119.709 119.950 0.019 0.000 2.436 647 F HA 0.410 4.937 4.527 -0.001 0.000 0.340 647 F C 1.028 176.867 175.800 0.066 0.000 1.113 647 F CA -0.655 57.383 58.000 0.062 0.000 1.022 647 F CB 1.542 40.580 39.000 0.063 0.000 1.128 647 F HN -0.261 nan 8.300 nan 0.000 0.466 648 K N 1.697 122.255 120.400 0.264 0.000 2.116 648 K HA 0.084 4.404 4.320 0.000 0.000 0.203 648 K C -0.062 176.662 176.600 0.208 0.000 1.052 648 K CA 0.995 57.399 56.287 0.194 0.000 0.952 648 K CB 0.241 32.852 32.500 0.185 0.000 0.729 648 K HN 0.797 nan 8.250 nan 0.000 0.446 649 c N -2.937 115.824 118.600 0.268 0.000 3.321 649 c HA 0.904 5.474 4.570 0.000 0.000 0.329 649 c C -0.151 174.159 174.090 0.366 0.000 1.394 649 c CA -0.591 55.914 56.329 0.293 0.000 1.291 649 c CB 1.100 43.703 42.510 0.154 0.000 1.606 649 c HN 0.364 nan 8.230 nan 0.000 0.463 650 G N -0.234 108.858 108.800 0.487 0.000 2.623 650 G HA2 0.741 4.701 3.960 0.000 0.000 0.290 650 G HA3 0.741 4.701 3.960 0.000 0.000 0.290 650 G C -2.109 173.056 174.900 0.442 0.000 1.437 650 G CA -0.719 44.650 45.100 0.449 0.000 0.798 650 G HN 1.014 nan 8.290 nan 0.000 0.488 651 I N 0.567 121.352 120.570 0.360 0.000 2.499 651 I HA 0.599 4.769 4.170 0.000 0.000 0.288 651 I C 0.065 176.315 176.117 0.221 0.000 1.048 651 I CA -0.928 60.469 61.300 0.163 0.000 1.062 651 I CB 2.262 40.356 38.000 0.157 0.000 1.238 651 I HN 0.673 nan 8.210 nan 0.000 0.426 652 A N 6.435 129.296 122.820 0.067 0.000 2.287 652 A HA 0.793 5.113 4.320 0.000 0.000 0.317 652 A C -0.770 176.728 177.584 -0.145 0.000 1.220 652 A CA -0.514 51.553 52.037 0.050 0.000 0.835 652 A CB 1.152 20.257 19.000 0.176 0.000 1.180 652 A HN 0.437 nan 8.150 nan 0.000 0.500 653 V N 2.235 121.996 119.914 -0.255 0.000 2.384 653 V HA 0.564 4.684 4.120 0.000 0.000 0.287 653 V C 0.865 176.549 176.094 -0.684 0.000 1.020 653 V CA 0.374 62.300 62.300 -0.624 0.000 0.850 653 V CB 0.711 31.845 31.823 -1.149 0.000 0.987 653 V HN 2.111 nan 8.190 nan 0.000 0.436 654 A N 5.803 128.230 122.820 -0.654 0.000 2.466 654 A HA -0.095 4.225 4.320 0.000 0.000 0.295 654 A C -2.003 175.442 177.584 -0.231 0.000 1.465 654 A CA 0.304 51.885 52.037 -0.760 0.000 0.744 654 A CB -1.542 17.184 19.000 -0.458 0.000 1.098 654 A HN 0.593 nan 8.150 nan 0.000 0.402 655 P HA 0.448 nan 4.420 nan 0.000 0.282 655 P C 0.280 177.538 177.300 -0.071 0.000 1.249 655 P CA -0.262 62.815 63.100 -0.039 0.000 0.806 655 P CB 1.302 33.008 31.700 0.010 0.000 0.984 656 V N 2.400 122.177 119.914 -0.228 0.000 2.740 656 V HA 0.012 4.132 4.120 0.000 0.000 0.303 656 V C 1.822 177.727 176.094 -0.316 0.000 1.054 656 V CA 1.272 63.288 62.300 -0.474 0.000 1.106 656 V CB 0.557 31.675 31.823 -1.175 0.000 0.957 656 V HN 0.844 nan 8.190 nan 0.000 0.486 657 S N 4.105 119.657 115.700 -0.247 0.000 2.524 657 S HA 0.288 4.758 4.470 0.000 0.000 0.222 657 S C 0.554 175.015 174.600 -0.233 0.000 1.040 657 S CA -0.287 57.846 58.200 -0.113 0.000 0.915 657 S CB 0.330 63.531 63.200 0.001 0.000 0.831 657 S HN 0.741 nan 8.310 nan 0.000 0.492 658 R N -1.026 119.207 120.500 -0.446 0.000 2.563 658 R HA 0.297 4.637 4.340 0.000 0.000 0.262 658 R C -1.245 174.734 176.300 -0.535 0.000 1.128 658 R CA -0.645 55.145 56.100 -0.516 0.000 0.969 658 R CB 0.169 30.112 30.300 -0.594 0.000 1.251 658 R HN 0.230 nan 8.270 nan 0.000 0.442 659 W N 1.943 123.157 121.300 -0.142 0.000 2.465 659 W HA -0.009 4.652 4.660 0.001 0.000 0.268 659 W C 1.221 177.867 176.519 0.212 0.000 1.242 659 W CA 0.507 57.859 57.345 0.011 0.000 1.248 659 W CB 0.369 29.754 29.460 -0.126 0.000 1.118 659 W HN 0.705 nan 8.180 nan 0.000 0.587 660 E N -0.987 119.377 120.200 0.273 0.000 2.409 660 E HA -0.181 4.169 4.350 0.000 0.000 0.198 660 E C 1.231 177.965 176.600 0.224 0.000 1.024 660 E CA 0.951 57.456 56.400 0.176 0.000 0.861 660 E CB -0.354 29.335 29.700 -0.018 0.000 0.788 660 E HN 0.357 nan 8.360 nan 0.000 0.521 661 Y N -1.589 118.813 120.300 0.170 0.000 2.490 661 Y HA 0.111 4.661 4.550 -0.000 0.000 0.285 661 Y C 0.641 176.654 175.900 0.189 0.000 1.117 661 Y CA -0.400 57.771 58.100 0.118 0.000 1.262 661 Y CB -0.318 38.153 38.460 0.018 0.000 1.043 661 Y HN 0.021 nan 8.280 nan 0.000 0.553 662 Y N 1.840 122.302 120.300 0.270 0.000 2.392 662 Y HA 0.288 4.838 4.550 -0.000 0.000 0.323 662 Y C 0.316 176.434 175.900 0.363 0.000 1.291 662 Y CA -2.080 56.185 58.100 0.276 0.000 1.345 662 Y CB 0.368 39.004 38.460 0.293 0.000 1.320 662 Y HN 0.198 nan 8.280 nan 0.000 0.518 663 D N -0.601 119.549 120.400 -0.417 0.000 2.368 663 D HA 0.102 4.742 4.640 0.000 0.000 0.240 663 D C 0.845 177.134 176.300 -0.017 0.000 1.169 663 D CA 0.347 54.165 54.000 -0.303 0.000 0.906 663 D CB 0.915 41.344 40.800 -0.617 0.000 1.187 663 D HN 0.481 nan 8.370 nan 0.000 0.435 664 S N 1.006 116.703 115.700 -0.005 0.000 2.356 664 S HA -0.208 4.262 4.470 0.000 0.000 0.223 664 S C 1.961 176.587 174.600 0.042 0.000 1.032 664 S CA 0.988 59.233 58.200 0.075 0.000 1.005 664 S CB -0.927 62.328 63.200 0.092 0.000 0.867 664 S HN 0.436 nan 8.310 nan 0.000 0.449 665 V N 0.968 120.850 119.914 -0.053 0.000 2.255 665 V HA -0.208 3.912 4.120 0.000 0.000 0.247 665 V C 2.278 178.268 176.094 -0.173 0.000 1.051 665 V CA 2.329 64.498 62.300 -0.219 0.000 1.018 665 V CB -0.983 30.581 31.823 -0.432 0.000 0.641 665 V HN 0.594 nan 8.190 nan 0.000 0.445 666 Y N 1.136 121.358 120.300 -0.129 0.000 2.153 666 Y HA -0.218 4.332 4.550 0.000 0.000 0.289 666 Y C 2.751 178.605 175.900 -0.076 0.000 1.127 666 Y CA 2.310 60.395 58.100 -0.024 0.000 1.131 666 Y CB -0.542 38.109 38.460 0.319 0.000 0.995 666 Y HN 0.223 nan 8.280 nan 0.000 0.505 667 T N 0.359 115.094 114.554 0.302 0.000 2.684 667 T HA -0.200 4.150 4.350 0.000 0.000 0.267 667 T C 1.520 176.184 174.700 -0.059 0.000 1.036 667 T CA 1.982 64.208 62.100 0.211 0.000 1.148 667 T CB -0.285 68.866 68.868 0.471 0.000 0.863 667 T HN 0.455 nan 8.240 nan 0.000 0.436 668 E N 0.469 120.644 120.200 -0.041 0.000 2.208 668 E HA -0.012 4.338 4.350 0.000 0.000 0.193 668 E C 2.335 178.802 176.600 -0.221 0.000 0.988 668 E CA 0.217 56.593 56.400 -0.040 0.000 0.828 668 E CB -0.095 29.636 29.700 0.051 0.000 0.763 668 E HN 0.321 nan 8.360 nan 0.000 0.478 669 R N 0.169 120.362 120.500 -0.511 0.000 2.139 669 R HA -0.198 4.142 4.340 0.000 0.000 0.243 669 R C 1.009 176.794 176.300 -0.857 0.000 1.145 669 R CA 1.563 57.174 56.100 -0.814 0.000 0.976 669 R CB 0.054 29.515 30.300 -1.398 0.000 0.866 669 R HN 0.256 nan 8.270 nan 0.000 0.449 670 Y N -2.605 117.407 120.300 -0.480 0.000 2.535 670 Y HA 0.230 4.780 4.550 -0.000 0.000 0.264 670 Y C 1.745 177.475 175.900 -0.284 0.000 1.087 670 Y CA -0.099 57.716 58.100 -0.475 0.000 1.285 670 Y CB 0.375 38.422 38.460 -0.688 0.000 1.200 670 Y HN -0.073 nan 8.280 nan 0.000 0.514 671 M N -0.581 118.933 119.600 -0.143 0.000 2.421 671 M HA 0.381 4.861 4.480 0.000 0.000 0.258 671 M C 1.144 177.483 176.300 0.066 0.000 1.122 671 M CA 0.929 56.149 55.300 -0.133 0.000 1.078 671 M CB -0.239 32.126 32.600 -0.392 0.000 1.380 671 M HN 0.335 nan 8.290 nan 0.000 0.499 672 G N 1.747 110.592 108.800 0.074 0.000 2.598 672 G HA2 -0.194 3.766 3.960 0.000 0.000 0.244 672 G HA3 -0.194 3.766 3.960 0.000 0.000 0.244 672 G C -0.602 174.428 174.900 0.217 0.000 1.302 672 G CA -0.832 44.341 45.100 0.121 0.000 0.903 672 G HN 0.206 nan 8.290 nan 0.000 0.575 673 L N 2.076 123.386 121.223 0.146 0.000 2.375 673 L HA 0.471 4.811 4.340 0.000 0.000 0.271 673 L C -1.255 175.589 176.870 -0.042 0.000 1.107 673 L CA -1.917 52.958 54.840 0.058 0.000 0.806 673 L CB 0.731 42.794 42.059 0.007 0.000 1.146 673 L HN 0.460 nan 8.230 nan 0.000 0.447 674 P HA 0.086 nan 4.420 nan 0.000 0.226 674 P C -0.263 176.867 177.300 -0.284 0.000 1.758 674 P CA -0.141 62.490 63.100 -0.781 0.000 0.896 674 P CB -0.382 30.560 31.700 -1.265 0.000 1.784 675 T N -3.619 110.864 114.554 -0.118 0.000 2.940 675 T HA 0.476 4.826 4.350 0.000 0.000 0.288 675 T C -2.111 172.583 174.700 -0.010 0.000 1.033 675 T CA -2.437 59.631 62.100 -0.054 0.000 1.033 675 T CB 1.682 70.530 68.868 -0.032 0.000 1.079 675 T HN -0.292 nan 8.240 nan 0.000 0.496 676 P HA -0.089 nan 4.420 nan 0.000 0.219 676 P C 1.267 178.578 177.300 0.020 0.000 1.146 676 P CA 0.846 63.954 63.100 0.014 0.000 0.808 676 P CB 0.084 31.788 31.700 0.008 0.000 0.779 677 E N -1.606 118.602 120.200 0.013 0.000 2.489 677 E HA -0.011 4.339 4.350 0.000 0.000 0.193 677 E C 0.627 177.241 176.600 0.023 0.000 1.057 677 E CA 0.507 56.916 56.400 0.015 0.000 0.866 677 E CB -0.172 29.532 29.700 0.007 0.000 0.916 677 E HN 0.219 nan 8.360 nan 0.000 0.500 678 D N 0.962 121.383 120.400 0.034 0.000 3.112 678 D HA 0.048 4.688 4.640 0.000 0.000 0.212 678 D C 0.254 176.606 176.300 0.087 0.000 1.376 678 D CA -0.064 53.968 54.000 0.054 0.000 1.411 678 D CB 0.044 40.878 40.800 0.055 0.000 0.965 678 D HN 0.046 nan 8.370 nan 0.000 0.192 679 N N 0.058 118.842 118.700 0.139 0.000 2.305 679 N HA 0.084 4.824 4.740 0.000 0.000 0.248 679 N C 1.067 176.779 175.510 0.337 0.000 1.290 679 N CA -0.080 53.106 53.050 0.228 0.000 0.873 679 N CB 0.262 38.910 38.487 0.267 0.000 1.261 679 N HN 0.104 nan 8.380 nan 0.000 0.504 680 L N 0.582 121.921 121.223 0.192 0.000 2.043 680 L HA -0.141 4.199 4.340 0.000 0.000 0.212 680 L C 1.229 178.218 176.870 0.198 0.000 1.075 680 L CA 1.996 56.926 54.840 0.150 0.000 0.752 680 L CB -0.364 41.717 42.059 0.036 0.000 0.891 680 L HN 0.112 nan 8.230 nan 0.000 0.432 681 D N -1.584 118.912 120.400 0.160 0.000 2.123 681 D HA -0.242 4.398 4.640 0.000 0.000 0.196 681 D C 2.071 178.469 176.300 0.163 0.000 0.992 681 D CA 1.684 55.765 54.000 0.134 0.000 0.833 681 D CB -0.156 40.709 40.800 0.108 0.000 0.954 681 D HN 0.579 nan 8.370 nan 0.000 0.455 682 H N -0.969 118.166 119.070 0.108 0.000 2.428 682 H HA -0.046 4.511 4.556 0.000 0.000 0.296 682 H C 1.659 177.041 175.328 0.090 0.000 1.062 682 H CA 1.159 57.246 56.048 0.066 0.000 1.350 682 H CB -0.246 29.520 29.762 0.006 0.000 1.403 682 H HN 0.148 nan 8.280 nan 0.000 0.533 683 Y N 0.329 120.636 120.300 0.011 0.000 2.165 683 Y HA -0.201 4.348 4.550 -0.000 0.000 0.286 683 Y C 2.455 178.328 175.900 -0.045 0.000 1.155 683 Y CA 1.514 59.617 58.100 0.005 0.000 1.164 683 Y CB 0.102 38.589 38.460 0.046 0.000 0.978 683 Y HN 0.132 nan 8.280 nan 0.000 0.513 684 R N -0.110 120.467 120.500 0.129 0.000 2.115 684 R HA -0.084 4.256 4.340 0.000 0.000 0.226 684 R C 1.572 177.871 176.300 -0.001 0.000 1.100 684 R CA 0.949 57.080 56.100 0.051 0.000 0.980 684 R CB -0.759 29.573 30.300 0.052 0.000 0.875 684 R HN 0.527 nan 8.270 nan 0.000 0.445 685 N N 0.606 119.282 118.700 -0.039 0.000 2.416 685 N HA -0.062 4.678 4.740 0.000 0.000 0.177 685 N C 0.709 176.158 175.510 -0.102 0.000 1.036 685 N CA 0.953 53.970 53.050 -0.055 0.000 0.901 685 N CB 0.220 38.702 38.487 -0.009 0.000 0.976 685 N HN 0.147 nan 8.380 nan 0.000 0.444 686 S N 0.129 115.715 115.700 -0.190 0.000 2.622 686 S HA 0.032 4.502 4.470 0.000 0.000 0.236 686 S C 0.657 175.306 174.600 0.081 0.000 0.956 686 S CA -0.687 57.464 58.200 -0.082 0.000 0.971 686 S CB -0.285 62.793 63.200 -0.202 0.000 0.782 686 S HN 0.152 nan 8.310 nan 0.000 0.468 687 T N -1.143 113.418 114.554 0.012 0.000 2.904 687 T HA 0.407 4.757 4.350 0.000 0.000 0.290 687 T C 1.342 176.058 174.700 0.025 0.000 1.018 687 T CA -0.162 61.938 62.100 0.001 0.000 1.075 687 T CB 1.486 70.327 68.868 -0.044 0.000 0.986 687 T HN 0.374 nan 8.240 nan 0.000 0.523 688 V N 2.704 122.635 119.914 0.029 0.000 2.548 688 V HA -0.062 4.058 4.120 0.000 0.000 0.249 688 V C 2.241 178.321 176.094 -0.023 0.000 1.055 688 V CA 1.562 63.865 62.300 0.004 0.000 1.065 688 V CB -1.090 30.732 31.823 -0.002 0.000 0.681 688 V HN 0.882 nan 8.190 nan 0.000 0.462 689 M N 2.310 121.882 119.600 -0.046 0.000 2.106 689 M HA -0.156 4.324 4.480 0.000 0.000 0.259 689 M C 2.431 178.711 176.300 -0.033 0.000 1.068 689 M CA 2.530 57.793 55.300 -0.062 0.000 1.100 689 M CB -1.030 31.546 32.600 -0.040 0.000 1.351 689 M HN 0.731 nan 8.290 nan 0.000 0.404 690 S N -0.339 115.353 115.700 -0.013 0.000 2.537 690 S HA -0.078 4.392 4.470 0.000 0.000 0.240 690 S C 1.646 176.257 174.600 0.017 0.000 0.981 690 S CA 0.703 58.903 58.200 0.001 0.000 0.948 690 S CB -0.502 62.698 63.200 -0.000 0.000 0.759 690 S HN 0.541 nan 8.310 nan 0.000 0.531 691 R N 0.137 120.660 120.500 0.038 0.000 2.468 691 R HA 0.438 4.778 4.340 0.000 0.000 0.280 691 R C 2.049 178.456 176.300 0.178 0.000 0.963 691 R CA 0.440 56.588 56.100 0.080 0.000 1.083 691 R CB -0.109 30.234 30.300 0.071 0.000 1.200 691 R HN 0.473 nan 8.270 nan 0.000 0.541 692 A N 1.524 124.402 122.820 0.097 0.000 1.940 692 A HA -0.256 4.064 4.320 0.000 0.000 0.219 692 A C 2.020 179.694 177.584 0.150 0.000 1.176 692 A CA 1.723 53.797 52.037 0.062 0.000 0.631 692 A CB -0.202 18.751 19.000 -0.078 0.000 0.814 692 A HN 0.231 nan 8.150 nan 0.000 0.446 693 E N 0.741 121.000 120.200 0.098 0.000 2.118 693 E HA -0.180 4.170 4.350 0.000 0.000 0.195 693 E C 1.513 178.173 176.600 0.100 0.000 0.992 693 E CA 1.619 58.069 56.400 0.084 0.000 0.804 693 E CB -0.224 29.507 29.700 0.051 0.000 0.741 693 E HN 0.600 nan 8.360 nan 0.000 0.458 694 N N -0.500 118.253 118.700 0.089 0.000 2.550 694 N HA -0.090 4.650 4.740 0.000 0.000 0.186 694 N C 0.785 176.278 175.510 -0.028 0.000 1.110 694 N CA 0.411 53.467 53.050 0.010 0.000 0.912 694 N CB -0.179 38.270 38.487 -0.062 0.000 0.968 694 N HN 0.217 nan 8.380 nan 0.000 0.448 695 F N 1.478 121.390 119.950 -0.062 0.000 2.604 695 F HA 0.040 4.567 4.527 -0.001 0.000 0.298 695 F C 1.932 177.739 175.800 0.012 0.000 1.131 695 F CA 0.647 58.605 58.000 -0.070 0.000 1.457 695 F CB 0.096 39.014 39.000 -0.138 0.000 1.095 695 F HN -0.059 nan 8.300 nan 0.000 0.574 696 K N -0.123 120.378 120.400 0.169 0.000 2.360 696 K HA -0.181 4.139 4.320 0.000 0.000 0.201 696 K C 1.574 178.231 176.600 0.095 0.000 1.046 696 K CA 1.039 57.404 56.287 0.130 0.000 0.945 696 K CB -0.173 32.384 32.500 0.096 0.000 0.750 696 K HN 0.431 nan 8.250 nan 0.000 0.464 697 Q N 0.207 120.041 119.800 0.057 0.000 2.424 697 Q HA 0.023 4.363 4.340 0.000 0.000 0.204 697 Q C 0.354 176.385 176.000 0.052 0.000 0.933 697 Q CA 0.157 55.983 55.803 0.037 0.000 0.929 697 Q CB 0.685 29.424 28.738 0.002 0.000 1.037 697 Q HN 0.129 nan 8.270 nan 0.000 0.511 698 V N -2.954 117.002 119.914 0.070 0.000 3.130 698 V HA 0.483 4.603 4.120 0.000 0.000 0.310 698 V C -1.237 174.989 176.094 0.220 0.000 1.158 698 V CA -1.326 61.040 62.300 0.109 0.000 1.029 698 V CB 2.263 34.100 31.823 0.025 0.000 1.057 698 V HN -0.054 nan 8.190 nan 0.000 0.436 699 E N 1.561 121.923 120.200 0.270 0.000 2.146 699 E HA 0.487 4.837 4.350 0.000 0.000 0.282 699 E C -1.778 175.193 176.600 0.618 0.000 0.989 699 E CA -0.323 56.309 56.400 0.388 0.000 0.799 699 E CB 1.600 31.456 29.700 0.259 0.000 1.088 699 E HN 0.668 nan 8.360 nan 0.000 0.397 700 Y N 3.235 123.803 120.300 0.446 0.000 2.409 700 Y HA 0.512 5.061 4.550 -0.001 0.000 0.343 700 Y C -1.631 174.338 175.900 0.114 0.000 0.973 700 Y CA -1.598 56.706 58.100 0.340 0.000 1.064 700 Y CB 1.131 39.828 38.460 0.395 0.000 1.207 700 Y HN 0.440 nan 8.280 nan 0.000 0.452 701 L N 7.416 128.331 121.223 -0.514 0.000 2.376 701 L HA 0.645 4.985 4.340 0.000 0.000 0.275 701 L C -2.280 174.124 176.870 -0.777 0.000 0.987 701 L CA -0.778 53.605 54.840 -0.761 0.000 0.828 701 L CB 1.518 42.790 42.059 -1.312 0.000 1.249 701 L HN 0.608 nan 8.230 nan 0.000 0.409 702 L N 6.619 127.483 121.223 -0.599 0.000 2.325 702 L HA 0.713 5.053 4.340 0.000 0.000 0.281 702 L C -1.311 175.431 176.870 -0.213 0.000 1.004 702 L CA -0.125 54.422 54.840 -0.489 0.000 0.823 702 L CB 1.311 43.079 42.059 -0.486 0.000 1.236 702 L HN 0.586 nan 8.230 nan 0.000 0.415 703 I N 4.537 124.996 120.570 -0.184 0.000 2.545 703 I HA 0.475 4.645 4.170 0.000 0.000 0.292 703 I C -1.189 174.911 176.117 -0.028 0.000 1.040 703 I CA -0.697 60.553 61.300 -0.084 0.000 1.068 703 I CB 2.075 39.988 38.000 -0.145 0.000 1.251 703 I HN 0.698 nan 8.210 nan 0.000 0.424 704 H N 2.342 121.469 119.070 0.094 0.000 3.086 704 H HA 0.445 5.001 4.556 -0.000 0.000 0.353 704 H C -0.375 175.189 175.328 0.393 0.000 1.134 704 H CA -0.610 55.543 56.048 0.175 0.000 1.248 704 H CB 1.956 31.763 29.762 0.075 0.000 1.878 704 H HN 0.757 nan 8.280 nan 0.000 0.527 705 G N 1.230 110.402 108.800 0.620 0.000 2.370 705 G HA2 0.190 4.150 3.960 0.000 0.000 0.272 705 G HA3 0.190 4.150 3.960 0.000 0.000 0.272 705 G C 1.182 176.376 174.900 0.491 0.000 1.208 705 G CA 0.146 45.561 45.100 0.525 0.000 0.856 705 G HN 0.752 nan 8.290 nan 0.000 0.500 706 T N -0.556 114.161 114.554 0.273 0.000 3.007 706 T HA 0.067 4.417 4.350 0.000 0.000 0.270 706 T C 1.632 176.341 174.700 0.015 0.000 1.107 706 T CA 1.317 63.406 62.100 -0.019 0.000 1.118 706 T CB 0.147 68.915 68.868 -0.167 0.000 0.889 706 T HN 0.704 nan 8.240 nan 0.000 0.506 707 A N 0.937 123.831 122.820 0.123 0.000 2.708 707 A HA 0.319 4.639 4.320 0.000 0.000 0.293 707 A C 0.342 177.909 177.584 -0.029 0.000 1.303 707 A CA -0.529 51.553 52.037 0.075 0.000 0.949 707 A CB -0.232 19.078 19.000 0.516 0.000 1.121 707 A HN 0.380 nan 8.150 nan 0.000 0.542 708 D N 1.651 122.050 120.400 -0.001 0.000 2.342 708 D HA -0.020 4.620 4.640 0.000 0.000 0.260 708 D C 0.406 176.668 176.300 -0.063 0.000 1.278 708 D CA 0.175 54.262 54.000 0.144 0.000 0.910 708 D CB 0.659 41.694 40.800 0.391 0.000 1.079 708 D HN 0.578 nan 8.370 nan 0.000 0.496 709 D N 2.205 122.633 120.400 0.046 0.000 2.317 709 D HA -0.127 4.513 4.640 0.000 0.000 0.211 709 D C 1.043 177.312 176.300 -0.052 0.000 0.966 709 D CA 0.277 54.247 54.000 -0.050 0.000 0.876 709 D CB 0.243 40.975 40.800 -0.114 0.000 0.927 709 D HN 0.432 nan 8.370 nan 0.000 0.519 710 N N -0.067 118.706 118.700 0.123 0.000 2.418 710 N HA -0.025 4.715 4.740 0.000 0.000 0.199 710 N C -0.198 175.255 175.510 -0.094 0.000 1.044 710 N CA 0.183 53.333 53.050 0.166 0.000 0.943 710 N CB 0.744 39.362 38.487 0.218 0.000 1.154 710 N HN -0.172 nan 8.380 nan 0.000 0.467 711 V N 2.444 122.305 119.914 -0.090 0.000 2.288 711 V HA 0.213 4.333 4.120 0.000 0.000 0.266 711 V C -0.917 175.221 176.094 0.074 0.000 1.048 711 V CA -0.390 61.891 62.300 -0.031 0.000 0.842 711 V CB -0.043 31.777 31.823 -0.004 0.000 1.064 711 V HN 0.337 nan 8.190 nan 0.000 0.472 712 H N 3.232 122.272 119.070 -0.050 0.000 2.897 712 H HA -0.000 4.556 4.556 -0.000 0.000 0.347 712 H C 0.851 176.020 175.328 -0.265 0.000 1.068 712 H CA -0.057 55.879 56.048 -0.187 0.000 1.426 712 H CB 0.756 30.331 29.762 -0.313 0.000 1.410 712 H HN 0.624 nan 8.280 nan 0.000 0.597 713 F N 2.035 121.763 119.950 -0.370 0.000 2.184 713 F HA -0.338 4.188 4.527 -0.001 0.000 0.301 713 F C 2.572 178.098 175.800 -0.456 0.000 1.076 713 F CA 1.851 59.447 58.000 -0.674 0.000 1.295 713 F CB -0.201 38.581 39.000 -0.363 0.000 1.026 713 F HN 0.678 nan 8.300 nan 0.000 0.494 714 Q N 0.125 119.796 119.800 -0.215 0.000 2.182 714 Q HA -0.348 3.992 4.340 0.000 0.000 0.213 714 Q C 2.115 177.859 176.000 -0.426 0.000 1.000 714 Q CA 2.563 58.180 55.803 -0.310 0.000 0.889 714 Q CB -0.339 28.188 28.738 -0.351 0.000 0.932 714 Q HN 0.619 nan 8.270 nan 0.000 0.415 715 Q N -0.637 118.945 119.800 -0.363 0.000 2.079 715 Q HA -0.098 4.242 4.340 0.000 0.000 0.200 715 Q C 2.248 178.129 176.000 -0.197 0.000 0.974 715 Q CA 1.602 57.292 55.803 -0.188 0.000 0.840 715 Q CB -0.034 28.686 28.738 -0.031 0.000 0.898 715 Q HN 0.320 nan 8.270 nan 0.000 0.430 716 S N 0.853 116.340 115.700 -0.355 0.000 2.406 716 S HA -0.022 4.448 4.470 0.000 0.000 0.228 716 S C 2.059 176.403 174.600 -0.428 0.000 1.020 716 S CA 0.735 58.724 58.200 -0.350 0.000 0.965 716 S CB -0.094 62.882 63.200 -0.374 0.000 0.798 716 S HN 0.460 nan 8.310 nan 0.000 0.488 717 A N 1.576 124.049 122.820 -0.579 0.000 1.902 717 A HA -0.141 4.179 4.320 0.000 0.000 0.217 717 A C 2.127 179.605 177.584 -0.177 0.000 1.181 717 A CA 1.168 52.999 52.037 -0.342 0.000 0.623 717 A CB -0.442 18.424 19.000 -0.223 0.000 0.818 717 A HN 0.379 nan 8.150 nan 0.000 0.443 718 Q N -0.478 119.222 119.800 -0.167 0.000 2.230 718 Q HA -0.008 4.332 4.340 0.000 0.000 0.202 718 Q C 2.107 178.052 176.000 -0.090 0.000 0.963 718 Q CA 0.969 56.727 55.803 -0.075 0.000 0.866 718 Q CB -0.315 28.436 28.738 0.023 0.000 0.931 718 Q HN 0.788 nan 8.270 nan 0.000 0.452 719 I N 1.137 121.624 120.570 -0.138 0.000 2.202 719 I HA -0.274 3.896 4.170 0.000 0.000 0.242 719 I C 2.604 178.554 176.117 -0.279 0.000 1.091 719 I CA 1.449 62.625 61.300 -0.206 0.000 1.368 719 I CB -0.458 37.422 38.000 -0.200 0.000 1.058 719 I HN 0.187 nan 8.210 nan 0.000 0.410 720 S N 1.014 116.581 115.700 -0.221 0.000 2.356 720 S HA -0.283 4.187 4.470 0.000 0.000 0.223 720 S C 2.052 176.633 174.600 -0.032 0.000 1.032 720 S CA 1.487 59.605 58.200 -0.138 0.000 1.005 720 S CB -0.493 62.780 63.200 0.122 0.000 0.867 720 S HN 0.344 nan 8.310 nan 0.000 0.449 721 K N 1.763 122.145 120.400 -0.030 0.000 2.044 721 K HA -0.066 4.254 4.320 0.000 0.000 0.210 721 K C 2.290 178.874 176.600 -0.026 0.000 1.049 721 K CA 1.382 57.666 56.287 -0.005 0.000 0.927 721 K CB -0.748 31.746 32.500 -0.011 0.000 0.713 721 K HN 0.478 nan 8.250 nan 0.000 0.443 722 A N 0.799 123.573 122.820 -0.077 0.000 1.933 722 A HA -0.096 4.224 4.320 0.000 0.000 0.218 722 A C 2.082 179.606 177.584 -0.101 0.000 1.175 722 A CA 1.272 53.258 52.037 -0.085 0.000 0.628 722 A CB -0.524 18.409 19.000 -0.112 0.000 0.814 722 A HN 0.324 nan 8.150 nan 0.000 0.444 723 L N -0.712 120.404 121.223 -0.180 0.000 2.109 723 L HA -0.121 4.219 4.340 0.000 0.000 0.207 723 L C 2.491 179.393 176.870 0.052 0.000 1.086 723 L CA 0.803 55.544 54.840 -0.165 0.000 0.760 723 L CB -0.550 41.212 42.059 -0.494 0.000 0.910 723 L HN 0.234 nan 8.230 nan 0.000 0.437 724 V N -0.166 119.814 119.914 0.110 0.000 2.295 724 V HA -0.281 3.839 4.120 0.000 0.000 0.246 724 V C 1.988 178.126 176.094 0.073 0.000 1.049 724 V CA 1.884 64.266 62.300 0.137 0.000 1.024 724 V CB -0.491 31.410 31.823 0.129 0.000 0.648 724 V HN 0.408 nan 8.190 nan 0.000 0.447 725 D N 0.233 120.658 120.400 0.041 0.000 2.265 725 D HA -0.108 4.532 4.640 0.000 0.000 0.208 725 D C 1.685 178.003 176.300 0.029 0.000 0.977 725 D CA 1.621 55.638 54.000 0.028 0.000 0.871 725 D CB -0.052 40.756 40.800 0.014 0.000 0.925 725 D HN 0.566 nan 8.370 nan 0.000 0.485 726 V N -4.376 115.557 119.914 0.032 0.000 3.427 726 V HA 0.521 4.641 4.120 0.000 0.000 0.305 726 V C 1.225 177.353 176.094 0.057 0.000 1.412 726 V CA 0.268 62.591 62.300 0.038 0.000 1.086 726 V CB 0.081 31.923 31.823 0.032 0.000 0.964 726 V HN 0.117 nan 8.190 nan 0.000 0.439 727 G N 0.614 109.456 108.800 0.070 0.000 2.198 727 G HA2 -0.187 3.773 3.960 0.000 0.000 0.257 727 G HA3 -0.187 3.773 3.960 0.000 0.000 0.257 727 G C -0.063 174.904 174.900 0.111 0.000 1.042 727 G CA 0.180 45.330 45.100 0.083 0.000 0.791 727 G HN 0.830 nan 8.290 nan 0.000 0.502 728 V N 0.577 120.578 119.914 0.145 0.000 2.432 728 V HA 0.445 4.565 4.120 0.000 0.000 0.275 728 V C 0.464 176.745 176.094 0.312 0.000 1.043 728 V CA -0.336 62.085 62.300 0.201 0.000 0.925 728 V CB 1.689 33.621 31.823 0.182 0.000 0.985 728 V HN 0.439 nan 8.190 nan 0.000 0.466 729 D N 4.229 124.788 120.400 0.263 0.000 2.256 729 D HA 0.599 5.239 4.640 0.000 0.000 0.250 729 D C -0.519 176.003 176.300 0.370 0.000 1.093 729 D CA 0.059 54.197 54.000 0.230 0.000 0.882 729 D CB 0.794 41.663 40.800 0.114 0.000 1.185 729 D HN 0.355 nan 8.370 nan 0.000 0.437 730 F N -0.353 119.671 119.950 0.123 0.000 2.831 730 F HA 0.503 5.032 4.527 0.003 0.000 0.318 730 F C -1.466 174.376 175.800 0.071 0.000 1.174 730 F CA -1.077 57.014 58.000 0.152 0.000 0.918 730 F CB 0.940 40.065 39.000 0.209 0.000 1.364 730 F HN 0.146 nan 8.300 nan 0.000 0.475 731 Q N 1.147 121.009 119.800 0.102 0.000 2.342 731 Q HA 0.802 5.142 4.340 0.000 0.000 0.267 731 Q C -1.178 174.798 176.000 -0.041 0.000 1.038 731 Q CA -1.266 54.493 55.803 -0.073 0.000 0.832 731 Q CB 2.550 31.276 28.738 -0.019 0.000 1.323 731 Q HN 0.986 nan 8.270 nan 0.000 0.448 732 A N 1.908 124.678 122.820 -0.084 0.000 2.479 732 A HA 0.882 5.202 4.320 0.000 0.000 0.296 732 A C -1.369 176.145 177.584 -0.117 0.000 1.121 732 A CA -0.600 51.420 52.037 -0.029 0.000 0.743 732 A CB 2.012 21.071 19.000 0.098 0.000 1.323 732 A HN 0.639 nan 8.150 nan 0.000 0.415 733 M N 1.274 120.793 119.600 -0.134 0.000 2.274 733 M HA 0.534 5.014 4.480 0.000 0.000 0.272 733 M C -1.827 174.356 176.300 -0.195 0.000 1.053 733 M CA -0.592 54.487 55.300 -0.369 0.000 0.978 733 M CB 1.057 33.351 32.600 -0.510 0.000 1.836 733 M HN 0.906 nan 8.290 nan 0.000 0.484 734 W N 4.333 125.495 121.300 -0.229 0.000 2.436 734 W HA 0.782 5.441 4.660 -0.002 0.000 0.347 734 W C -1.937 174.344 176.519 -0.396 0.000 1.136 734 W CA -0.780 56.513 57.345 -0.088 0.000 1.286 734 W CB 0.313 29.758 29.460 -0.025 0.000 1.253 734 W HN 0.610 nan 8.180 nan 0.000 0.617 735 Y N 1.720 122.202 120.300 0.303 0.000 2.363 735 Y HA 0.294 4.845 4.550 0.001 0.000 0.325 735 Y C 0.319 176.356 175.900 0.229 0.000 0.984 735 Y CA -1.216 56.980 58.100 0.160 0.000 1.248 735 Y CB 1.571 40.078 38.460 0.079 0.000 1.116 735 Y HN 0.414 nan 8.280 nan 0.000 0.470 736 T N 4.833 119.579 114.554 0.320 0.000 2.792 736 T HA -0.002 4.348 4.350 0.000 0.000 0.286 736 T C 0.124 174.890 174.700 0.110 0.000 0.970 736 T CA 0.639 62.837 62.100 0.163 0.000 1.187 736 T CB -0.151 68.749 68.868 0.054 0.000 0.915 736 T HN 0.735 nan 8.240 nan 0.000 0.529 737 D N 0.510 120.951 120.400 0.067 0.000 2.978 737 D HA -0.125 4.515 4.640 0.000 0.000 0.205 737 D C 0.298 176.726 176.300 0.213 0.000 1.093 737 D CA 1.088 55.065 54.000 -0.038 0.000 1.006 737 D CB -0.475 40.057 40.800 -0.447 0.000 1.116 737 D HN 0.559 nan 8.370 nan 0.000 0.419 738 E N 1.200 121.546 120.200 0.244 0.000 2.366 738 E HA 0.304 4.654 4.350 0.000 0.000 0.266 738 E C 0.848 177.638 176.600 0.315 0.000 1.051 738 E CA -0.007 56.558 56.400 0.274 0.000 0.884 738 E CB 1.075 30.926 29.700 0.253 0.000 1.006 738 E HN 0.403 nan 8.360 nan 0.000 0.417 739 D N -0.310 120.285 120.400 0.325 0.000 2.570 739 D HA 0.011 4.652 4.640 0.000 0.000 0.266 739 D C 1.038 177.577 176.300 0.398 0.000 1.182 739 D CA -0.270 53.947 54.000 0.361 0.000 1.088 739 D CB -0.280 40.755 40.800 0.392 0.000 1.186 739 D HN 0.386 nan 8.370 nan 0.000 0.618 740 H N -1.430 117.823 119.070 0.305 0.000 2.489 740 H HA 0.102 4.658 4.556 -0.000 0.000 0.293 740 H C 1.862 177.407 175.328 0.361 0.000 1.066 740 H CA 2.087 58.332 56.048 0.328 0.000 1.305 740 H CB -0.399 29.531 29.762 0.281 0.000 1.386 740 H HN 0.488 nan 8.280 nan 0.000 0.551 741 G N -0.213 108.718 108.800 0.220 0.000 2.494 741 G HA2 -0.013 3.947 3.960 0.000 0.000 0.216 741 G HA3 -0.013 3.947 3.960 0.000 0.000 0.216 741 G C 0.609 175.637 174.900 0.213 0.000 1.140 741 G CA 0.311 45.444 45.100 0.054 0.000 0.801 741 G HN 0.505 nan 8.290 nan 0.000 0.536 742 I N 0.143 120.888 120.570 0.292 0.000 6.347 742 I HA -0.309 3.861 4.170 0.000 0.000 0.126 742 I C 1.355 177.587 176.117 0.191 0.000 1.576 742 I CA 0.139 61.571 61.300 0.220 0.000 2.463 742 I CB -1.111 36.999 38.000 0.184 0.000 2.990 742 I HN 0.262 nan 8.210 nan 0.000 0.281 743 A N 1.070 123.978 122.820 0.147 0.000 2.469 743 A HA 0.313 4.633 4.320 0.000 0.000 0.245 743 A C 1.033 178.661 177.584 0.074 0.000 1.221 743 A CA 0.106 52.200 52.037 0.096 0.000 0.946 743 A CB 0.371 19.399 19.000 0.047 0.000 1.049 743 A HN 0.416 nan 8.150 nan 0.000 0.529 744 S N 0.688 116.449 115.700 0.102 0.000 2.558 744 S HA 0.067 4.537 4.470 0.000 0.000 0.293 744 S C 1.632 176.287 174.600 0.091 0.000 1.292 744 S CA 0.558 58.813 58.200 0.092 0.000 1.063 744 S CB 1.027 64.288 63.200 0.102 0.000 0.831 744 S HN 0.652 nan 8.310 nan 0.000 0.499 745 S N 3.073 118.811 115.700 0.064 0.000 2.368 745 S HA -0.217 4.253 4.470 0.000 0.000 0.226 745 S C 2.160 176.822 174.600 0.103 0.000 1.044 745 S CA 2.353 60.590 58.200 0.063 0.000 1.062 745 S CB -0.894 62.326 63.200 0.033 0.000 0.931 745 S HN 0.950 nan 8.310 nan 0.000 0.440 746 T N -0.362 114.244 114.554 0.087 0.000 2.857 746 T HA 0.248 4.598 4.350 0.000 0.000 0.266 746 T C 2.028 176.794 174.700 0.110 0.000 1.048 746 T CA 1.249 63.404 62.100 0.092 0.000 1.139 746 T CB -0.972 67.941 68.868 0.075 0.000 0.874 746 T HN 0.526 nan 8.240 nan 0.000 0.455 747 A N 1.803 124.675 122.820 0.085 0.000 1.858 747 A HA -0.137 4.183 4.320 0.000 0.000 0.216 747 A C 2.203 179.764 177.584 -0.039 0.000 1.190 747 A CA 2.164 54.198 52.037 -0.005 0.000 0.617 747 A CB -1.444 17.524 19.000 -0.053 0.000 0.827 747 A HN 0.745 nan 8.150 nan 0.000 0.443 748 H N -0.328 118.730 119.070 -0.020 0.000 2.321 748 H HA -0.211 4.345 4.556 0.000 0.000 0.295 748 H C 2.121 177.510 175.328 0.103 0.000 1.102 748 H CA 2.518 58.602 56.048 0.061 0.000 1.266 748 H CB -0.222 29.575 29.762 0.059 0.000 1.363 748 H HN 0.596 nan 8.280 nan 0.000 0.492 749 Q N -1.251 118.565 119.800 0.028 0.000 2.119 749 Q HA -0.163 4.177 4.340 0.000 0.000 0.201 749 Q C 2.267 178.272 176.000 0.008 0.000 0.972 749 Q CA 1.262 57.049 55.803 -0.027 0.000 0.847 749 Q CB -0.136 28.621 28.738 0.032 0.000 0.903 749 Q HN 0.639 nan 8.270 nan 0.000 0.433 750 H N 0.465 119.526 119.070 -0.015 0.000 2.326 750 H HA -0.097 4.458 4.556 -0.001 0.000 0.301 750 H C 2.089 177.438 175.328 0.036 0.000 1.081 750 H CA 1.419 57.497 56.048 0.049 0.000 1.334 750 H CB 0.003 29.856 29.762 0.152 0.000 1.385 750 H HN 0.290 nan 8.280 nan 0.000 0.504 751 I N 0.145 120.705 120.570 -0.017 0.000 2.142 751 I HA -0.343 3.827 4.170 0.000 0.000 0.240 751 I C 1.876 177.790 176.117 -0.337 0.000 1.078 751 I CA 1.412 62.603 61.300 -0.183 0.000 1.343 751 I CB -0.308 37.391 38.000 -0.501 0.000 1.046 751 I HN 0.173 nan 8.210 nan 0.000 0.405 752 Y N 0.811 120.906 120.300 -0.342 0.000 2.293 752 Y HA -0.224 4.327 4.550 0.000 0.000 0.291 752 Y C 2.676 178.413 175.900 -0.273 0.000 1.137 752 Y CA 1.886 59.695 58.100 -0.486 0.000 1.202 752 Y CB -0.593 37.581 38.460 -0.477 0.000 0.990 752 Y HN 0.192 nan 8.280 nan 0.000 0.537 753 T N -1.769 112.742 114.554 -0.072 0.000 2.777 753 T HA -0.230 4.120 4.350 0.000 0.000 0.266 753 T C 1.488 176.126 174.700 -0.103 0.000 1.040 753 T CA 1.820 63.850 62.100 -0.117 0.000 1.141 753 T CB -0.445 68.356 68.868 -0.111 0.000 0.868 753 T HN 0.412 nan 8.240 nan 0.000 0.444 754 H N 1.009 119.985 119.070 -0.157 0.000 2.353 754 H HA 0.111 4.666 4.556 -0.001 0.000 0.300 754 H C 2.198 177.523 175.328 -0.005 0.000 1.090 754 H CA 1.498 57.509 56.048 -0.061 0.000 1.327 754 H CB -0.257 29.449 29.762 -0.094 0.000 1.383 754 H HN 0.238 nan 8.280 nan 0.000 0.508 755 M N -0.806 118.764 119.600 -0.051 0.000 2.159 755 M HA -0.177 4.303 4.480 0.000 0.000 0.263 755 M C 2.427 178.855 176.300 0.214 0.000 1.063 755 M CA 1.470 56.744 55.300 -0.043 0.000 1.110 755 M CB -0.143 32.178 32.600 -0.465 0.000 1.374 755 M HN 0.202 nan 8.290 nan 0.000 0.411 756 S N -0.344 115.490 115.700 0.223 0.000 2.353 756 S HA -0.189 4.281 4.470 0.000 0.000 0.222 756 S C 1.603 176.260 174.600 0.095 0.000 1.035 756 S CA 1.517 59.888 58.200 0.285 0.000 1.025 756 S CB -0.653 62.662 63.200 0.192 0.000 0.902 756 S HN 0.554 nan 8.310 nan 0.000 0.440 757 H N -0.562 118.565 119.070 0.096 0.000 2.352 757 H HA -0.082 4.475 4.556 0.001 0.000 0.299 757 H C 1.928 177.254 175.328 -0.003 0.000 1.097 757 H CA 1.716 57.773 56.048 0.015 0.000 1.311 757 H CB -0.254 29.473 29.762 -0.058 0.000 1.377 757 H HN 0.370 nan 8.280 nan 0.000 0.504 758 F N 1.160 121.089 119.950 -0.036 0.000 2.069 758 F HA -0.233 4.293 4.527 -0.002 0.000 0.298 758 F C 2.080 177.830 175.800 -0.083 0.000 1.113 758 F CA 1.166 59.119 58.000 -0.078 0.000 1.214 758 F CB -0.268 38.669 39.000 -0.104 0.000 0.978 758 F HN 0.042 nan 8.300 nan 0.000 0.474 759 I N 0.694 121.240 120.570 -0.041 0.000 2.142 759 I HA -0.297 3.873 4.170 0.000 0.000 0.240 759 I C 2.282 178.177 176.117 -0.370 0.000 1.078 759 I CA 1.613 62.726 61.300 -0.312 0.000 1.343 759 I CB -1.342 36.578 38.000 -0.134 0.000 1.046 759 I HN 0.228 nan 8.210 nan 0.000 0.405 760 K N 0.250 120.589 120.400 -0.102 0.000 2.103 760 K HA -0.263 4.057 4.320 0.000 0.000 0.207 760 K C 2.094 178.677 176.600 -0.028 0.000 1.048 760 K CA 1.513 57.799 56.287 -0.001 0.000 0.930 760 K CB -0.199 32.353 32.500 0.086 0.000 0.716 760 K HN 0.241 nan 8.250 nan 0.000 0.444 761 Q N 0.801 120.546 119.800 -0.092 0.000 2.084 761 Q HA -0.173 4.167 4.340 0.000 0.000 0.202 761 Q C 2.144 178.043 176.000 -0.169 0.000 0.978 761 Q CA 1.645 57.380 55.803 -0.112 0.000 0.844 761 Q CB -0.386 28.272 28.738 -0.133 0.000 0.898 761 Q HN 0.385 nan 8.270 nan 0.000 0.426 762 c N -0.457 117.931 118.600 -0.354 0.000 2.432 762 c HA -0.007 4.563 4.570 0.000 0.000 0.280 762 c C 1.383 175.469 174.090 -0.007 0.000 1.353 762 c CA 0.325 56.455 56.329 -0.333 0.000 1.766 762 c CB -1.121 41.007 42.510 -0.637 0.000 1.924 762 c HN 0.585 nan 8.230 nan 0.000 0.509 763 F N 1.514 121.419 119.950 -0.075 0.000 2.645 763 F HA 0.271 4.798 4.527 0.000 0.000 0.300 763 F C 1.562 177.343 175.800 -0.031 0.000 1.115 763 F CA -0.037 57.941 58.000 -0.038 0.000 1.355 763 F CB -1.267 37.718 39.000 -0.024 0.000 1.026 763 F HN 0.126 nan 8.300 nan 0.000 0.536 764 S N 0.943 116.722 115.700 0.132 0.000 3.581 764 S HA -0.219 4.251 4.470 0.000 0.000 0.354 764 S C 0.096 174.737 174.600 0.067 0.000 1.059 764 S CA 0.221 58.463 58.200 0.069 0.000 1.060 764 S CB -1.845 61.383 63.200 0.047 0.000 0.908 764 S HN 0.263 nan 8.310 nan 0.000 0.475 765 L N 2.057 123.333 121.223 0.088 0.000 2.262 765 L HA 0.384 4.724 4.340 0.000 0.000 0.288 765 L C -1.205 175.707 176.870 0.069 0.000 1.035 765 L CA -2.033 52.855 54.840 0.080 0.000 0.820 765 L CB 0.755 42.880 42.059 0.110 0.000 1.204 765 L HN 0.061 nan 8.230 nan 0.000 0.424 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.133 63.100 0.055 0.000 0.800 766 P CB 0.000 31.725 31.700 0.042 0.000 0.726