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 3g0b_1_D DATA FIRST_RESID 40 DATA SEQUENCE RKTYTLTDYL KNTYRLKLYS LRWISDHEYL YKQENNILVF NAEYGNSSVF DATA SEQUENCE LENSTFDEFG HSINDYSISP DGQFILLEYN YVKQWRHSYT ASYDIYDLNK DATA SEQUENCE RQLITEERIP NNTQWVTWSP VGHKLAYVWN NDIYVKIEPN LPSYRITWTG DATA SEQUENCE KEDIIYNGIT DWVYEEEVFS AYSALWWSPN GTFLAYAQFN DTEVPLIEYS DATA SEQUENCE FYSDESLQYP KTVRVPYPKA GAVNPTVKFF VVNTDSLSSV TNATSIQITA DATA SEQUENCE PASMLIGDHY LCDVTWATQE RISLQWLRRI QNYSVMDIcD YDESSGRWNc DATA SEQUENCE LVARQHIEMS TTGWVGRFRP SEPHFTLDGN SFYKIISNEE GYRHIcYFQI DATA SEQUENCE DKKDcTFITK GTWEVIGIEA LTSDYLYYIS NEYKGMPGGR NLYKIQLSDY DATA SEQUENCE TKVTCLSCEL NPERcQYYSV SFSKEAKYYQ LRcSGPGLPL YTLHSSVNDK DATA SEQUENCE GLRVLEDNSA LDKMLQNVQM PSKKLDFIIL NETKFWYQMI LPPHFDKSKK DATA SEQUENCE YPLLLDVYAG PCSQKADTVF RLNWATYLAS TENIIVASFD GRGSGYQGDK DATA SEQUENCE IMHAINRRLG TFEVEDQIEA ARQFSKMGFV DNKRIAIWGW SYGGYVTSMV DATA SEQUENCE LGSGSGVFKc GIAVAPVSRW EYYDSVYTER YMGLPTPEDN LDHYRNSTVM DATA SEQUENCE SRAENFKQVE YLLIHGTADD NVHFQQSAQI SKALVDVGVD FQAMWYTDED DATA SEQUENCE HGIASSTAHQ HIYTHMSHFI KQcFSLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 40 R HA 0.000 nan 4.340 nan 0.000 0.208 40 R C 0.000 176.352 176.300 0.086 0.000 0.893 40 R CA 0.000 56.144 56.100 0.073 0.000 0.921 40 R CB 0.000 30.334 30.300 0.056 0.000 0.687 41 K N 2.243 122.700 120.400 0.095 0.000 2.336 41 K HA 0.226 4.547 4.320 0.001 0.000 0.262 41 K C 0.128 176.801 176.600 0.122 0.000 0.992 41 K CA 0.306 56.659 56.287 0.110 0.000 0.927 41 K CB 0.487 33.063 32.500 0.128 0.000 0.956 41 K HN 0.012 nan 8.250 nan 0.000 0.495 42 T N -1.547 113.088 114.554 0.135 0.000 2.948 42 T HA 0.152 4.503 4.350 0.001 0.000 0.285 42 T C -0.656 174.167 174.700 0.204 0.000 1.019 42 T CA -0.854 61.340 62.100 0.155 0.000 1.013 42 T CB 0.612 69.568 68.868 0.146 0.000 1.117 42 T HN 0.544 nan 8.240 nan 0.000 0.533 43 Y N 2.862 123.217 120.300 0.092 0.000 2.624 43 Y HA 0.334 4.885 4.550 0.002 0.000 0.354 43 Y C 1.059 177.116 175.900 0.262 0.000 1.051 43 Y CA -0.246 57.939 58.100 0.141 0.000 1.377 43 Y CB -0.397 38.094 38.460 0.052 0.000 1.168 43 Y HN 0.996 nan 8.280 nan 0.000 0.525 44 T N 2.297 116.846 114.554 -0.008 0.000 2.824 44 T HA 0.109 4.460 4.350 0.001 0.000 0.277 44 T C 0.994 175.648 174.700 -0.076 0.000 0.975 44 T CA -0.662 61.503 62.100 0.109 0.000 0.966 44 T CB 1.155 70.051 68.868 0.047 0.000 1.054 44 T HN 0.678 nan 8.240 nan 0.000 0.533 45 L N 0.953 121.974 121.223 -0.336 0.000 2.046 45 L HA 0.033 4.374 4.340 0.001 0.000 0.208 45 L C 2.640 179.387 176.870 -0.204 0.000 1.077 45 L CA 2.143 56.648 54.840 -0.558 0.000 0.747 45 L CB -1.507 40.031 42.059 -0.868 0.000 0.896 45 L HN 0.958 nan 8.230 nan 0.000 0.432 46 T N -0.558 113.899 114.554 -0.162 0.000 2.788 46 T HA -0.155 4.196 4.350 0.001 0.000 0.268 46 T C 1.474 176.105 174.700 -0.114 0.000 1.044 46 T CA 1.413 63.447 62.100 -0.110 0.000 1.139 46 T CB -0.389 68.435 68.868 -0.073 0.000 0.867 46 T HN 0.394 nan 8.240 nan 0.000 0.454 47 D N 0.214 120.521 120.400 -0.155 0.000 2.097 47 D HA -0.084 4.557 4.640 0.001 0.000 0.195 47 D C 1.759 177.990 176.300 -0.115 0.000 0.989 47 D CA 1.023 54.909 54.000 -0.189 0.000 0.827 47 D CB -0.434 40.171 40.800 -0.325 0.000 0.966 47 D HN 0.414 nan 8.370 nan 0.000 0.456 48 Y N 1.516 121.661 120.300 -0.259 0.000 2.145 48 Y HA -0.107 4.443 4.550 0.001 0.000 0.286 48 Y C 2.143 178.071 175.900 0.047 0.000 1.145 48 Y CA 1.257 59.374 58.100 0.027 0.000 1.148 48 Y CB -0.554 37.990 38.460 0.139 0.000 0.981 48 Y HN -0.093 nan 8.280 nan 0.000 0.507 49 L N -0.136 120.943 121.223 -0.239 0.000 2.217 49 L HA -0.123 4.218 4.340 0.001 0.000 0.211 49 L C 1.971 178.752 176.870 -0.148 0.000 1.107 49 L CA 1.114 55.786 54.840 -0.280 0.000 0.783 49 L CB -0.365 41.591 42.059 -0.172 0.000 0.919 49 L HN 0.075 nan 8.230 nan 0.000 0.442 50 K N -0.729 119.606 120.400 -0.108 0.000 2.353 50 K HA 0.092 4.412 4.320 0.001 0.000 0.195 50 K C 0.239 176.802 176.600 -0.063 0.000 1.031 50 K CA -0.066 56.176 56.287 -0.075 0.000 1.079 50 K CB 0.156 32.614 32.500 -0.071 0.000 0.857 50 K HN 0.150 nan 8.250 nan 0.000 0.535 51 N N 1.731 120.404 118.700 -0.045 0.000 2.771 51 N HA -0.136 4.605 4.740 0.001 0.000 0.249 51 N C 0.157 175.661 175.510 -0.010 0.000 1.069 51 N CA 0.740 53.799 53.050 0.015 0.000 0.688 51 N CB -0.852 37.636 38.487 0.002 0.000 0.928 51 N HN 0.128 nan 8.380 nan 0.000 0.551 52 T N -0.821 113.688 114.554 -0.074 0.000 2.777 52 T HA -0.116 4.235 4.350 0.001 0.000 0.266 52 T C 0.528 175.026 174.700 -0.338 0.000 1.040 52 T CA 1.307 63.237 62.100 -0.284 0.000 1.141 52 T CB -0.090 68.479 68.868 -0.499 0.000 0.868 52 T HN 0.366 nan 8.240 nan 0.000 0.444 53 Y N 1.914 122.305 120.300 0.152 0.000 2.841 53 Y HA 0.482 5.033 4.550 0.002 0.000 0.329 53 Y C 0.483 176.496 175.900 0.189 0.000 1.062 53 Y CA -1.149 57.066 58.100 0.191 0.000 1.281 53 Y CB 0.144 38.778 38.460 0.290 0.000 1.147 53 Y HN -0.075 nan 8.280 nan 0.000 0.521 54 R N 1.991 122.621 120.500 0.218 0.000 2.490 54 R HA 0.390 4.731 4.340 0.001 0.000 0.280 54 R C -0.994 175.419 176.300 0.188 0.000 1.077 54 R CA -0.730 55.474 56.100 0.174 0.000 1.065 54 R CB 0.544 30.904 30.300 0.100 0.000 1.003 54 R HN 0.547 nan 8.270 nan 0.000 0.470 55 L N 3.986 125.320 121.223 0.185 0.000 2.290 55 L HA 0.262 4.603 4.340 0.001 0.000 0.284 55 L C -0.332 176.623 176.870 0.142 0.000 1.078 55 L CA 0.400 55.350 54.840 0.183 0.000 0.815 55 L CB 1.093 43.278 42.059 0.210 0.000 1.162 55 L HN 0.531 nan 8.230 nan 0.000 0.435 56 K N 4.065 124.548 120.400 0.137 0.000 2.205 56 K HA 0.499 4.820 4.320 0.001 0.000 0.279 56 K C -0.811 175.855 176.600 0.110 0.000 1.027 56 K CA -0.513 55.838 56.287 0.106 0.000 0.932 56 K CB 1.038 33.598 32.500 0.101 0.000 1.032 56 K HN 0.341 nan 8.250 nan 0.000 0.466 57 L N 1.918 123.140 121.223 -0.002 0.000 2.347 57 L HA 0.429 4.769 4.340 0.001 0.000 0.268 57 L C -0.847 175.773 176.870 -0.416 0.000 1.019 57 L CA -0.624 54.088 54.840 -0.214 0.000 0.806 57 L CB 0.416 42.420 42.059 -0.092 0.000 1.339 57 L HN 0.472 nan 8.230 nan 0.000 0.463 58 Y N 0.269 119.996 120.300 -0.955 0.000 2.517 58 Y HA 0.378 4.930 4.550 0.002 0.000 0.346 58 Y C -0.418 175.272 175.900 -0.350 0.000 1.113 58 Y CA -0.496 57.261 58.100 -0.572 0.000 1.295 58 Y CB 1.327 39.347 38.460 -0.733 0.000 1.094 58 Y HN 0.464 nan 8.280 nan 0.000 0.608 59 S N 5.672 121.289 115.700 -0.138 0.000 2.489 59 S HA 0.750 5.221 4.470 0.001 0.000 0.277 59 S C -0.899 173.699 174.600 -0.004 0.000 1.230 59 S CA -0.393 57.780 58.200 -0.044 0.000 1.053 59 S CB -0.103 63.078 63.200 -0.031 0.000 0.955 59 S HN 0.609 nan 8.310 nan 0.000 0.488 60 L N 2.836 124.034 121.223 -0.042 0.000 2.376 60 L HA 0.794 5.135 4.340 0.001 0.000 0.258 60 L C -0.830 175.993 176.870 -0.078 0.000 1.013 60 L CA -0.925 53.863 54.840 -0.086 0.000 0.822 60 L CB 1.790 43.552 42.059 -0.496 0.000 1.388 60 L HN 0.549 nan 8.230 nan 0.000 0.413 61 R N 1.226 121.726 120.500 0.000 0.000 2.435 61 R HA 0.407 4.748 4.340 0.001 0.000 0.308 61 R C -1.670 174.688 176.300 0.098 0.000 0.975 61 R CA -0.318 55.820 56.100 0.063 0.000 0.867 61 R CB 1.156 31.516 30.300 0.100 0.000 1.171 61 R HN 0.680 nan 8.270 nan 0.000 0.470 62 W N 4.183 125.593 121.300 0.184 0.000 2.223 62 W HA 0.079 4.739 4.660 0.001 0.000 0.334 62 W C 1.502 178.093 176.519 0.121 0.000 1.334 62 W CA -0.250 57.206 57.345 0.185 0.000 1.246 62 W CB 0.440 30.000 29.460 0.167 0.000 1.184 62 W HN 0.656 nan 8.180 nan 0.000 0.563 63 I N -0.139 120.640 120.570 0.348 0.000 4.403 63 I HA 0.303 4.474 4.170 0.001 0.000 0.331 63 I C 0.635 176.827 176.117 0.124 0.000 1.327 63 I CA -0.146 61.254 61.300 0.167 0.000 1.175 63 I CB 0.031 38.059 38.000 0.045 0.000 1.165 63 I HN 0.262 nan 8.210 nan 0.000 0.413 64 S N -0.412 115.387 115.700 0.164 0.000 2.843 64 S HA 0.330 4.800 4.470 0.001 0.000 0.301 64 S C -0.040 174.543 174.600 -0.029 0.000 1.206 64 S CA -0.171 58.035 58.200 0.011 0.000 0.875 64 S CB 1.485 64.630 63.200 -0.091 0.000 1.248 64 S HN 0.041 nan 8.310 nan 0.000 0.555 65 D N -0.031 120.191 120.400 -0.297 0.000 2.363 65 D HA 0.096 4.737 4.640 0.001 0.000 0.220 65 D C 0.908 177.183 176.300 -0.041 0.000 0.994 65 D CA 1.088 54.951 54.000 -0.228 0.000 0.890 65 D CB -0.067 40.652 40.800 -0.135 0.000 0.906 65 D HN 0.678 nan 8.370 nan 0.000 0.530 66 H N -2.360 116.921 119.070 0.352 0.000 3.394 66 H HA 0.413 4.970 4.556 0.001 0.000 0.256 66 H C -0.430 175.140 175.328 0.403 0.000 1.180 66 H CA -0.350 55.947 56.048 0.416 0.000 1.064 66 H CB 0.123 30.098 29.762 0.353 0.000 1.854 66 H HN 0.009 nan 8.280 nan 0.000 0.731 67 E N 1.302 121.810 120.200 0.513 0.000 2.314 67 E HA 0.446 4.797 4.350 0.001 0.000 0.272 67 E C -1.570 175.215 176.600 0.309 0.000 0.884 67 E CA -1.128 55.451 56.400 0.298 0.000 0.753 67 E CB 3.044 32.834 29.700 0.152 0.000 1.213 67 E HN 0.325 nan 8.360 nan 0.000 0.432 68 Y N -0.330 119.951 120.300 -0.030 0.000 2.562 68 Y HA 0.659 5.210 4.550 0.001 0.000 0.345 68 Y C -1.608 174.283 175.900 -0.015 0.000 1.045 68 Y CA -1.426 56.560 58.100 -0.191 0.000 1.028 68 Y CB 0.886 38.881 38.460 -0.774 0.000 1.297 68 Y HN 0.301 nan 8.280 nan 0.000 0.463 69 L N 3.613 124.966 121.223 0.217 0.000 2.325 69 L HA 0.539 4.879 4.340 0.001 0.000 0.279 69 L C -0.943 176.181 176.870 0.423 0.000 1.054 69 L CA -0.824 54.162 54.840 0.243 0.000 0.804 69 L CB 1.293 43.453 42.059 0.168 0.000 1.200 69 L HN 0.813 nan 8.230 nan 0.000 0.436 70 Y N 1.417 121.888 120.300 0.285 0.000 2.562 70 Y HA 0.495 5.047 4.550 0.002 0.000 0.345 70 Y C -1.352 174.628 175.900 0.132 0.000 1.045 70 Y CA -1.351 56.837 58.100 0.147 0.000 1.028 70 Y CB 1.726 40.197 38.460 0.018 0.000 1.297 70 Y HN 0.466 nan 8.280 nan 0.000 0.463 71 K N 3.943 123.804 120.400 -0.898 0.000 2.316 71 K HA 0.395 4.715 4.320 0.001 0.000 0.267 71 K C -0.326 175.808 176.600 -0.777 0.000 1.025 71 K CA -0.572 55.349 56.287 -0.610 0.000 0.896 71 K CB 1.874 34.153 32.500 -0.368 0.000 1.124 71 K HN 0.702 nan 8.250 nan 0.000 0.451 72 Q N 1.298 120.905 119.800 -0.322 0.000 2.461 72 Q HA 0.114 4.455 4.340 0.001 0.000 0.519 72 Q C -0.314 175.625 176.000 -0.102 0.000 1.052 72 Q CA 0.100 55.827 55.803 -0.126 0.000 0.623 72 Q CB 0.178 28.955 28.738 0.066 0.000 4.186 72 Q HN 0.508 nan 8.270 nan 0.000 0.313 73 E N 1.518 121.689 120.200 -0.049 0.000 1.979 73 E HA 0.067 4.418 4.350 0.001 0.000 0.285 73 E C -0.961 175.601 176.600 -0.063 0.000 1.188 73 E CA 0.011 56.382 56.400 -0.048 0.000 1.214 73 E CB -0.294 29.390 29.700 -0.026 0.000 1.210 73 E HN 0.332 nan 8.360 nan 0.000 0.477 74 N N 0.628 119.278 118.700 -0.084 0.000 2.895 74 N HA -0.269 4.472 4.740 0.001 0.000 0.237 74 N C -0.830 174.623 175.510 -0.095 0.000 0.934 74 N CA 1.091 54.090 53.050 -0.085 0.000 0.984 74 N CB -1.291 37.158 38.487 -0.064 0.000 1.089 74 N HN 0.465 nan 8.380 nan 0.000 0.604 75 N N 0.507 119.154 118.700 -0.088 0.000 2.426 75 N HA 0.357 5.098 4.740 0.001 0.000 0.275 75 N C -0.245 175.223 175.510 -0.070 0.000 1.019 75 N CA -0.401 52.600 53.050 -0.082 0.000 0.941 75 N CB 1.083 39.532 38.487 -0.064 0.000 1.123 75 N HN 0.112 nan 8.380 nan 0.000 0.486 76 I N 3.601 124.134 120.570 -0.063 0.000 2.337 76 I HA 0.144 4.315 4.170 0.001 0.000 0.291 76 I C -0.478 175.695 176.117 0.095 0.000 1.046 76 I CA -0.325 60.979 61.300 0.006 0.000 1.324 76 I CB 0.460 38.442 38.000 -0.030 0.000 1.409 76 I HN 0.241 nan 8.210 nan 0.000 0.494 77 L N 7.254 128.546 121.223 0.115 0.000 2.331 77 L HA 0.522 4.863 4.340 0.001 0.000 0.275 77 L C -0.189 176.708 176.870 0.044 0.000 1.022 77 L CA -0.670 54.184 54.840 0.024 0.000 0.812 77 L CB 1.744 43.705 42.059 -0.163 0.000 1.257 77 L HN 0.281 nan 8.230 nan 0.000 0.435 78 V N 3.190 123.047 119.914 -0.095 0.000 2.350 78 V HA 0.484 4.604 4.120 0.001 0.000 0.276 78 V C -0.752 175.180 176.094 -0.270 0.000 1.028 78 V CA -0.231 61.989 62.300 -0.133 0.000 0.860 78 V CB 0.450 32.168 31.823 -0.174 0.000 0.990 78 V HN 0.462 nan 8.190 nan 0.000 0.453 79 F N 5.168 124.847 119.950 -0.452 0.000 2.385 79 F HA 0.444 4.972 4.527 0.001 0.000 0.336 79 F C 0.854 176.389 175.800 -0.442 0.000 1.100 79 F CA -0.389 57.297 58.000 -0.523 0.000 1.116 79 F CB 0.994 39.459 39.000 -0.892 0.000 1.166 79 F HN 0.446 nan 8.300 nan 0.000 0.511 80 N N 2.178 120.840 118.700 -0.063 0.000 2.469 80 N HA 0.207 4.948 4.740 0.001 0.000 0.239 80 N C 0.668 176.179 175.510 0.002 0.000 1.053 80 N CA 0.075 53.135 53.050 0.017 0.000 0.937 80 N CB 1.408 39.953 38.487 0.096 0.000 1.163 80 N HN 0.799 nan 8.380 nan 0.000 0.509 81 A N 3.941 126.735 122.820 -0.044 0.000 2.024 81 A HA -0.173 4.148 4.320 0.001 0.000 0.220 81 A C 1.732 179.097 177.584 -0.364 0.000 1.164 81 A CA 1.371 53.336 52.037 -0.120 0.000 0.643 81 A CB -0.145 18.851 19.000 -0.008 0.000 0.806 81 A HN 0.807 nan 8.150 nan 0.000 0.451 82 E N -1.970 117.995 120.200 -0.391 0.000 2.072 82 E HA -0.145 4.206 4.350 0.001 0.000 0.190 82 E C 1.391 177.717 176.600 -0.457 0.000 0.982 82 E CA 1.503 57.632 56.400 -0.451 0.000 0.803 82 E CB -0.208 29.241 29.700 -0.419 0.000 0.755 82 E HN 0.854 nan 8.360 nan 0.000 0.453 83 Y N -1.585 118.684 120.300 -0.052 0.000 2.697 83 Y HA 0.341 4.891 4.550 0.002 0.000 0.268 83 Y C 1.852 177.743 175.900 -0.016 0.000 1.092 83 Y CA 0.392 58.477 58.100 -0.025 0.000 1.304 83 Y CB 0.886 39.333 38.460 -0.021 0.000 1.446 83 Y HN 0.132 nan 8.280 nan 0.000 0.491 84 G N -0.070 108.831 108.800 0.168 0.000 2.485 84 G HA2 -0.213 3.748 3.960 0.001 0.000 0.181 84 G HA3 -0.213 3.748 3.960 0.001 0.000 0.181 84 G C -0.576 174.381 174.900 0.094 0.000 0.999 84 G CA -0.316 44.861 45.100 0.128 0.000 0.721 84 G HN 0.460 nan 8.290 nan 0.000 0.486 85 N N 1.178 119.907 118.700 0.048 0.000 2.468 85 N HA 0.475 5.216 4.740 0.001 0.000 0.265 85 N C -0.004 175.424 175.510 -0.137 0.000 1.199 85 N CA 0.560 53.583 53.050 -0.044 0.000 0.928 85 N CB 1.363 39.813 38.487 -0.061 0.000 1.059 85 N HN 0.516 nan 8.380 nan 0.000 0.467 86 S N 0.622 116.164 115.700 -0.264 0.000 2.526 86 S HA 0.639 5.110 4.470 0.001 0.000 0.293 86 S C -0.441 173.977 174.600 -0.303 0.000 1.092 86 S CA -1.010 56.914 58.200 -0.460 0.000 0.980 86 S CB 1.184 63.685 63.200 -1.163 0.000 1.048 86 S HN 0.790 nan 8.310 nan 0.000 0.483 87 S N 1.267 116.830 115.700 -0.228 0.000 2.608 87 S HA 0.639 5.109 4.470 0.001 0.000 0.291 87 S C -0.295 174.242 174.600 -0.104 0.000 1.146 87 S CA -0.837 57.285 58.200 -0.130 0.000 1.043 87 S CB 0.970 64.133 63.200 -0.061 0.000 1.037 87 S HN 0.782 nan 8.310 nan 0.000 0.520 88 V N 4.086 123.956 119.914 -0.073 0.000 2.397 88 V HA 0.147 4.268 4.120 0.001 0.000 0.262 88 V C 0.669 176.768 176.094 0.009 0.000 1.047 88 V CA -0.078 62.195 62.300 -0.045 0.000 1.003 88 V CB -0.806 30.976 31.823 -0.068 0.000 1.037 88 V HN 0.969 nan 8.190 nan 0.000 0.480 89 F N 5.334 125.226 119.950 -0.096 0.000 2.270 89 F HA 0.288 4.816 4.527 0.002 0.000 0.295 89 F C 0.760 176.515 175.800 -0.076 0.000 1.087 89 F CA 0.855 58.812 58.000 -0.072 0.000 1.365 89 F CB 0.550 39.522 39.000 -0.046 0.000 1.056 89 F HN 0.392 nan 8.300 nan 0.000 0.506 90 L N 1.910 123.029 121.223 -0.174 0.000 2.628 90 L HA 0.214 4.555 4.340 0.001 0.000 0.258 90 L C -0.877 175.880 176.870 -0.188 0.000 1.027 90 L CA -0.448 54.220 54.840 -0.287 0.000 0.910 90 L CB 0.672 42.554 42.059 -0.295 0.000 1.157 90 L HN 0.169 nan 8.230 nan 0.000 0.452 91 E N 0.871 120.956 120.200 -0.192 0.000 2.373 91 E HA 0.092 4.442 4.350 0.001 0.000 0.267 91 E C -0.185 176.303 176.600 -0.186 0.000 1.032 91 E CA -0.534 55.772 56.400 -0.157 0.000 0.889 91 E CB 0.744 30.363 29.700 -0.135 0.000 0.984 91 E HN 0.387 nan 8.360 nan 0.000 0.425 92 N N 1.540 120.160 118.700 -0.134 0.000 2.482 92 N HA -0.059 4.681 4.740 0.001 0.000 0.220 92 N C 0.092 175.531 175.510 -0.119 0.000 1.255 92 N CA 0.116 53.098 53.050 -0.114 0.000 0.850 92 N CB -0.172 38.275 38.487 -0.067 0.000 1.127 92 N HN 0.506 nan 8.380 nan 0.000 0.475 93 S N -2.883 112.725 115.700 -0.155 0.000 2.622 93 S HA 0.148 4.619 4.470 0.001 0.000 0.236 93 S C 1.167 175.638 174.600 -0.215 0.000 0.956 93 S CA -0.369 57.745 58.200 -0.144 0.000 0.971 93 S CB 0.417 63.547 63.200 -0.117 0.000 0.782 93 S HN 0.050 nan 8.310 nan 0.000 0.468 94 T N 0.959 115.303 114.554 -0.350 0.000 3.053 94 T HA 0.295 4.646 4.350 0.001 0.000 0.236 94 T C 0.306 174.650 174.700 -0.592 0.000 0.996 94 T CA 0.436 62.156 62.100 -0.634 0.000 1.185 94 T CB -0.265 67.886 68.868 -1.196 0.000 0.892 94 T HN 0.480 nan 8.240 nan 0.000 0.432 95 F N 2.227 122.090 119.950 -0.146 0.000 2.639 95 F HA 0.240 4.768 4.527 0.001 0.000 0.300 95 F C 1.428 177.219 175.800 -0.015 0.000 1.109 95 F CA -1.225 56.723 58.000 -0.087 0.000 1.335 95 F CB -0.716 38.141 39.000 -0.237 0.000 1.014 95 F HN 0.227 nan 8.300 nan 0.000 0.537 96 D N 0.382 120.820 120.400 0.063 0.000 2.133 96 D HA -0.240 4.400 4.640 0.001 0.000 0.195 96 D C 0.666 177.003 176.300 0.062 0.000 0.997 96 D CA 1.566 55.590 54.000 0.042 0.000 0.840 96 D CB -0.413 40.382 40.800 -0.009 0.000 0.947 96 D HN 0.357 nan 8.370 nan 0.000 0.452 97 E N -1.214 119.029 120.200 0.072 0.000 2.947 97 E HA 0.128 4.479 4.350 0.001 0.000 0.229 97 E C -0.217 176.449 176.600 0.111 0.000 1.158 97 E CA -0.437 55.996 56.400 0.056 0.000 1.441 97 E CB 0.046 29.753 29.700 0.012 0.000 1.414 97 E HN 0.296 nan 8.360 nan 0.000 0.432 98 F N 0.638 120.599 119.950 0.018 0.000 2.234 98 F HA 0.103 4.631 4.527 0.002 0.000 0.296 98 F C 1.720 177.465 175.800 -0.091 0.000 1.089 98 F CA 1.828 59.838 58.000 0.017 0.000 1.343 98 F CB 0.434 39.447 39.000 0.022 0.000 1.040 98 F HN 0.350 nan 8.300 nan 0.000 0.498 99 G N -0.923 107.809 108.800 -0.113 0.000 2.213 99 G HA2 -0.198 3.763 3.960 0.001 0.000 0.226 99 G HA3 -0.198 3.763 3.960 0.001 0.000 0.226 99 G C 0.101 174.661 174.900 -0.568 0.000 0.992 99 G CA 0.177 45.044 45.100 -0.389 0.000 0.632 99 G HN 0.532 nan 8.290 nan 0.000 0.511 100 H N 0.024 119.110 119.070 0.026 0.000 2.895 100 H HA 0.543 5.100 4.556 0.001 0.000 0.373 100 H C -0.601 174.807 175.328 0.134 0.000 1.174 100 H CA -0.093 55.994 56.048 0.065 0.000 1.144 100 H CB 1.715 31.401 29.762 -0.127 0.000 1.793 100 H HN 0.150 nan 8.280 nan 0.000 0.551 101 S N 2.524 118.350 115.700 0.210 0.000 2.430 101 S HA 0.195 4.666 4.470 0.001 0.000 0.282 101 S C 0.891 175.541 174.600 0.083 0.000 1.186 101 S CA -0.557 57.708 58.200 0.108 0.000 1.060 101 S CB -0.456 62.793 63.200 0.082 0.000 0.966 101 S HN 0.297 nan 8.310 nan 0.000 0.501 102 I N 3.695 124.241 120.570 -0.040 0.000 2.421 102 I HA 0.058 4.229 4.170 0.001 0.000 0.291 102 I C 1.535 177.618 176.117 -0.057 0.000 1.089 102 I CA -0.282 60.949 61.300 -0.116 0.000 1.354 102 I CB 0.258 38.056 38.000 -0.336 0.000 1.413 102 I HN 0.606 nan 8.210 nan 0.000 0.513 103 N N 4.075 122.755 118.700 -0.032 0.000 2.207 103 N HA -0.087 4.654 4.740 0.001 0.000 0.182 103 N C 0.031 175.499 175.510 -0.070 0.000 1.020 103 N CA 1.185 54.188 53.050 -0.079 0.000 0.858 103 N CB 0.375 38.788 38.487 -0.123 0.000 0.991 103 N HN 0.698 nan 8.380 nan 0.000 0.427 104 D N -2.624 117.764 120.400 -0.020 0.000 2.622 104 D HA 0.213 4.854 4.640 0.001 0.000 0.255 104 D C -1.697 174.679 176.300 0.126 0.000 1.246 104 D CA -0.610 53.411 54.000 0.036 0.000 0.795 104 D CB 0.861 41.656 40.800 -0.009 0.000 1.369 104 D HN 0.118 nan 8.370 nan 0.000 0.425 105 Y N -1.029 119.286 120.300 0.026 0.000 2.605 105 Y HA 0.794 5.345 4.550 0.001 0.000 0.343 105 Y C -1.157 174.836 175.900 0.156 0.000 1.036 105 Y CA -1.070 57.070 58.100 0.066 0.000 1.065 105 Y CB 1.902 40.379 38.460 0.027 0.000 1.288 105 Y HN 0.156 nan 8.280 nan 0.000 0.481 106 S N 2.551 118.423 115.700 0.287 0.000 2.680 106 S HA 0.542 5.013 4.470 0.001 0.000 0.262 106 S C -1.418 173.504 174.600 0.537 0.000 1.138 106 S CA -0.508 57.879 58.200 0.311 0.000 1.072 106 S CB -0.067 63.335 63.200 0.336 0.000 1.097 106 S HN 0.672 nan 8.310 nan 0.000 0.468 107 I N 4.321 125.100 120.570 0.349 0.000 2.474 107 I HA 0.249 4.420 4.170 0.001 0.000 0.287 107 I C 1.025 176.967 176.117 -0.292 0.000 1.048 107 I CA -0.212 61.195 61.300 0.179 0.000 1.383 107 I CB 1.498 39.644 38.000 0.243 0.000 1.412 107 I HN 0.720 nan 8.210 nan 0.000 0.531 108 S N 5.818 121.010 115.700 -0.847 0.000 2.568 108 S HA 0.139 4.610 4.470 0.001 0.000 0.282 108 S C -1.827 172.477 174.600 -0.494 0.000 1.338 108 S CA -0.933 56.435 58.200 -1.387 0.000 1.045 108 S CB 0.555 62.872 63.200 -1.472 0.000 0.873 108 S HN 0.429 nan 8.310 nan 0.000 0.516 109 P HA -0.117 nan 4.420 nan 0.000 0.218 109 P C 0.793 178.046 177.300 -0.079 0.000 1.148 109 P CA 1.405 64.428 63.100 -0.127 0.000 0.822 109 P CB -0.119 31.532 31.700 -0.081 0.000 0.784 110 D N -1.909 118.448 120.400 -0.072 0.000 2.340 110 D HA 0.079 4.720 4.640 0.001 0.000 0.220 110 D C 1.305 177.603 176.300 -0.003 0.000 1.039 110 D CA 0.535 54.532 54.000 -0.006 0.000 0.866 110 D CB -1.069 39.762 40.800 0.052 0.000 0.913 110 D HN 0.176 nan 8.370 nan 0.000 0.523 111 G N 0.592 109.369 108.800 -0.038 0.000 2.160 111 G HA2 -0.365 3.596 3.960 0.001 0.000 0.251 111 G HA3 -0.365 3.596 3.960 0.001 0.000 0.251 111 G C 0.769 175.678 174.900 0.015 0.000 1.008 111 G CA 0.580 45.690 45.100 0.017 0.000 0.724 111 G HN 0.473 nan 8.290 nan 0.000 0.514 112 Q N -1.695 118.042 119.800 -0.105 0.000 2.373 112 Q HA 0.404 4.745 4.340 0.001 0.000 0.210 112 Q C 0.170 175.766 176.000 -0.674 0.000 0.913 112 Q CA 0.597 56.160 55.803 -0.399 0.000 0.911 112 Q CB 0.629 29.048 28.738 -0.531 0.000 1.040 112 Q HN 0.550 nan 8.270 nan 0.000 0.521 113 F N 0.123 120.026 119.950 -0.080 0.000 2.556 113 F HA 0.454 4.982 4.527 0.001 0.000 0.314 113 F C -0.632 175.261 175.800 0.156 0.000 1.106 113 F CA -1.128 56.898 58.000 0.043 0.000 0.911 113 F CB 1.819 40.873 39.000 0.089 0.000 1.190 113 F HN -0.152 nan 8.300 nan 0.000 0.448 114 I N 4.498 125.378 120.570 0.517 0.000 2.355 114 I HA 0.421 4.592 4.170 0.001 0.000 0.288 114 I C -1.312 175.133 176.117 0.547 0.000 0.999 114 I CA -1.000 60.606 61.300 0.511 0.000 1.163 114 I CB 0.893 39.141 38.000 0.414 0.000 1.316 114 I HN 0.544 nan 8.210 nan 0.000 0.454 115 L N 8.651 130.249 121.223 0.625 0.000 2.360 115 L HA 0.400 4.740 4.340 0.001 0.000 0.276 115 L C -1.143 175.905 176.870 0.296 0.000 1.121 115 L CA 0.320 55.414 54.840 0.424 0.000 0.845 115 L CB 0.649 42.888 42.059 0.300 0.000 1.143 115 L HN 0.510 nan 8.230 nan 0.000 0.452 116 L N 5.286 126.633 121.223 0.208 0.000 2.313 116 L HA 0.510 4.851 4.340 0.001 0.000 0.283 116 L C -0.223 176.723 176.870 0.126 0.000 1.013 116 L CA -0.476 54.390 54.840 0.044 0.000 0.816 116 L CB 1.639 43.518 42.059 -0.299 0.000 1.236 116 L HN 0.606 nan 8.230 nan 0.000 0.419 117 E N 3.824 124.045 120.200 0.034 0.000 2.113 117 E HA 0.413 4.764 4.350 0.001 0.000 0.273 117 E C -1.626 174.939 176.600 -0.059 0.000 0.924 117 E CA -0.515 55.779 56.400 -0.177 0.000 0.764 117 E CB 1.014 30.671 29.700 -0.070 0.000 1.104 117 E HN 0.458 nan 8.360 nan 0.000 0.406 118 Y N 1.730 121.860 120.300 -0.283 0.000 2.705 118 Y HA 0.460 5.011 4.550 0.001 0.000 0.332 118 Y C -0.073 175.745 175.900 -0.137 0.000 1.157 118 Y CA -1.637 56.381 58.100 -0.136 0.000 1.091 118 Y CB 0.452 38.894 38.460 -0.030 0.000 1.301 118 Y HN 0.444 nan 8.280 nan 0.000 0.488 119 N N -0.405 118.315 118.700 0.033 0.000 2.727 119 N HA -0.306 4.435 4.740 0.001 0.000 0.249 119 N C -1.039 174.447 175.510 -0.040 0.000 1.048 119 N CA 0.989 54.017 53.050 -0.037 0.000 0.714 119 N CB -1.709 36.675 38.487 -0.172 0.000 0.959 119 N HN 0.860 nan 8.380 nan 0.000 0.544 120 Y N 0.102 120.342 120.300 -0.100 0.000 2.632 120 Y HA 0.253 4.804 4.550 0.002 0.000 0.329 120 Y C 0.073 175.950 175.900 -0.038 0.000 1.174 120 Y CA 0.028 58.073 58.100 -0.091 0.000 1.469 120 Y CB 0.673 39.028 38.460 -0.175 0.000 1.242 120 Y HN 0.003 nan 8.280 nan 0.000 0.540 121 V N 7.968 127.557 119.914 -0.542 0.000 2.419 121 V HA 0.182 4.303 4.120 0.001 0.000 0.287 121 V C -0.291 175.415 176.094 -0.647 0.000 1.017 121 V CA -1.474 60.557 62.300 -0.448 0.000 0.844 121 V CB 1.267 32.968 31.823 -0.203 0.000 1.011 121 V HN 0.732 nan 8.190 nan 0.000 0.429 122 K N 3.377 123.371 120.400 -0.676 0.000 2.489 122 K HA 0.110 4.431 4.320 0.001 0.000 0.278 122 K C 0.559 176.991 176.600 -0.281 0.000 1.000 122 K CA 0.385 56.446 56.287 -0.375 0.000 1.012 122 K CB 1.008 33.501 32.500 -0.012 0.000 0.903 122 K HN 0.830 nan 8.250 nan 0.000 0.485 123 Q N 3.207 122.815 119.800 -0.320 0.000 2.429 123 Q HA 0.121 4.462 4.340 0.001 0.000 0.230 123 Q C 0.102 175.830 176.000 -0.454 0.000 0.970 123 Q CA -0.136 55.276 55.803 -0.652 0.000 0.778 123 Q CB 0.038 28.211 28.738 -0.942 0.000 2.016 123 Q HN 0.716 nan 8.270 nan 0.000 0.543 124 W N 0.005 121.287 121.300 -0.030 0.000 1.756 124 W HA 0.370 5.031 4.660 0.001 0.000 0.638 124 W C 1.880 178.377 176.519 -0.036 0.000 1.472 124 W CA -0.740 56.610 57.345 0.007 0.000 1.437 124 W CB -0.193 29.230 29.460 -0.061 0.000 3.368 124 W HN 0.209 nan 8.180 nan 0.000 0.771 125 R N -0.631 119.946 120.500 0.128 0.000 2.090 125 R HA -0.110 4.231 4.340 0.001 0.000 0.228 125 R C 1.683 177.826 176.300 -0.261 0.000 1.110 125 R CA 1.578 57.589 56.100 -0.149 0.000 0.973 125 R CB -0.299 29.758 30.300 -0.404 0.000 0.869 125 R HN 0.504 nan 8.270 nan 0.000 0.440 126 H N -1.226 117.927 119.070 0.138 0.000 2.657 126 H HA 0.149 4.706 4.556 0.001 0.000 0.262 126 H C 0.657 176.104 175.328 0.199 0.000 0.965 126 H CA 0.474 56.631 56.048 0.181 0.000 1.184 126 H CB 0.095 29.933 29.762 0.126 0.000 1.443 126 H HN 0.118 nan 8.280 nan 0.000 0.462 127 S N 1.473 117.192 115.700 0.033 0.000 2.579 127 S HA 0.317 4.788 4.470 0.001 0.000 0.275 127 S C -0.219 174.282 174.600 -0.165 0.000 1.345 127 S CA -0.369 57.541 58.200 -0.485 0.000 1.031 127 S CB 0.409 62.774 63.200 -1.392 0.000 0.892 127 S HN 0.475 nan 8.310 nan 0.000 0.529 128 Y N -2.585 117.576 120.300 -0.231 0.000 2.774 128 Y HA 0.667 5.218 4.550 0.001 0.000 0.346 128 Y C -0.862 175.017 175.900 -0.035 0.000 1.222 128 Y CA -1.179 56.780 58.100 -0.235 0.000 1.088 128 Y CB 0.746 39.013 38.460 -0.322 0.000 1.354 128 Y HN 0.613 nan 8.280 nan 0.000 0.455 129 T N 1.366 115.956 114.554 0.061 0.000 2.885 129 T HA 0.915 5.266 4.350 0.001 0.000 0.285 129 T C -0.951 173.836 174.700 0.144 0.000 1.019 129 T CA 0.109 62.259 62.100 0.084 0.000 1.010 129 T CB 1.177 70.044 68.868 -0.001 0.000 1.022 129 T HN 1.195 nan 8.240 nan 0.000 0.466 130 A N 1.887 124.774 122.820 0.113 0.000 2.609 130 A HA 0.779 5.100 4.320 0.001 0.000 0.291 130 A C -0.602 176.758 177.584 -0.374 0.000 1.096 130 A CA -0.686 51.259 52.037 -0.153 0.000 0.684 130 A CB 1.527 20.390 19.000 -0.228 0.000 1.282 130 A HN 0.669 nan 8.150 nan 0.000 0.412 131 S N -0.539 114.733 115.700 -0.713 0.000 2.616 131 S HA 0.760 5.231 4.470 0.001 0.000 0.277 131 S C -1.447 172.459 174.600 -1.156 0.000 1.234 131 S CA 0.060 57.727 58.200 -0.889 0.000 1.028 131 S CB 0.408 62.831 63.200 -1.296 0.000 0.988 131 S HN 0.436 nan 8.310 nan 0.000 0.522 132 Y N 0.266 120.284 120.300 -0.469 0.000 2.470 132 Y HA 0.423 4.973 4.550 0.001 0.000 0.341 132 Y C -0.753 175.177 175.900 0.049 0.000 1.021 132 Y CA -1.015 56.988 58.100 -0.163 0.000 1.025 132 Y CB 1.785 40.111 38.460 -0.223 0.000 1.266 132 Y HN 0.472 nan 8.280 nan 0.000 0.448 133 D N 2.615 123.251 120.400 0.393 0.000 2.646 133 D HA 0.551 5.192 4.640 0.001 0.000 0.245 133 D C -0.818 175.651 176.300 0.281 0.000 1.099 133 D CA -0.323 53.878 54.000 0.334 0.000 0.849 133 D CB 2.121 43.210 40.800 0.482 0.000 1.448 133 D HN 0.357 nan 8.370 nan 0.000 0.489 134 I N 1.864 122.577 120.570 0.238 0.000 2.385 134 I HA 0.293 4.464 4.170 0.001 0.000 0.294 134 I C -0.826 175.537 176.117 0.410 0.000 0.988 134 I CA -0.966 60.520 61.300 0.310 0.000 1.265 134 I CB 1.075 39.205 38.000 0.217 0.000 1.388 134 I HN 0.277 nan 8.210 nan 0.000 0.480 135 Y N 5.389 125.895 120.300 0.342 0.000 2.331 135 Y HA 0.274 4.825 4.550 0.001 0.000 0.334 135 Y C -0.236 175.851 175.900 0.311 0.000 0.960 135 Y CA -0.824 57.466 58.100 0.317 0.000 1.130 135 Y CB 1.091 39.755 38.460 0.341 0.000 1.164 135 Y HN 0.504 nan 8.280 nan 0.000 0.458 136 D N 5.994 126.344 120.400 -0.083 0.000 2.371 136 D HA 0.045 4.686 4.640 0.001 0.000 0.256 136 D C 0.666 176.689 176.300 -0.461 0.000 1.193 136 D CA 0.522 54.361 54.000 -0.270 0.000 0.881 136 D CB 1.147 41.831 40.800 -0.193 0.000 1.143 136 D HN 0.888 nan 8.370 nan 0.000 0.473 137 L N 3.998 125.025 121.223 -0.326 0.000 2.109 137 L HA -0.097 4.244 4.340 0.001 0.000 0.207 137 L C 2.257 178.997 176.870 -0.218 0.000 1.086 137 L CA 0.547 55.284 54.840 -0.172 0.000 0.760 137 L CB -0.225 41.770 42.059 -0.106 0.000 0.910 137 L HN 0.446 nan 8.230 nan 0.000 0.437 138 N N 0.265 118.802 118.700 -0.271 0.000 2.142 138 N HA -0.168 4.573 4.740 0.001 0.000 0.186 138 N C 1.636 177.040 175.510 -0.175 0.000 1.023 138 N CA 1.188 54.119 53.050 -0.199 0.000 0.852 138 N CB -0.060 38.307 38.487 -0.199 0.000 0.998 138 N HN 0.380 nan 8.380 nan 0.000 0.424 139 K N 0.697 120.971 120.400 -0.211 0.000 2.296 139 K HA 0.131 4.452 4.320 0.001 0.000 0.200 139 K C 0.072 176.555 176.600 -0.195 0.000 1.048 139 K CA 0.072 56.255 56.287 -0.174 0.000 0.966 139 K CB 0.271 32.674 32.500 -0.161 0.000 0.754 139 K HN 0.081 nan 8.250 nan 0.000 0.466 140 R N 0.962 121.296 120.500 -0.277 0.000 3.423 140 R HA -0.179 4.162 4.340 0.001 0.000 0.271 140 R C -0.812 175.237 176.300 -0.418 0.000 1.093 140 R CA 0.686 56.621 56.100 -0.275 0.000 0.730 140 R CB -2.087 28.166 30.300 -0.078 0.000 1.190 140 R HN 0.429 nan 8.270 nan 0.000 0.437 141 Q N -0.259 119.113 119.800 -0.713 0.000 2.484 141 Q HA 0.598 4.939 4.340 0.001 0.000 0.285 141 Q C -1.070 174.660 176.000 -0.450 0.000 1.097 141 Q CA -1.111 54.442 55.803 -0.418 0.000 0.802 141 Q CB 2.213 30.844 28.738 -0.178 0.000 1.444 141 Q HN 0.138 nan 8.270 nan 0.000 0.429 142 L N 1.733 122.949 121.223 -0.011 0.000 2.295 142 L HA 0.450 4.791 4.340 0.001 0.000 0.285 142 L C -1.202 175.737 176.870 0.115 0.000 1.035 142 L CA -0.311 54.644 54.840 0.191 0.000 0.806 142 L CB 1.054 43.333 42.059 0.366 0.000 1.214 142 L HN 0.532 nan 8.230 nan 0.000 0.426 143 I N 3.952 124.602 120.570 0.132 0.000 2.517 143 I HA 0.083 4.254 4.170 0.001 0.000 0.285 143 I C 1.319 177.473 176.117 0.062 0.000 1.106 143 I CA 0.625 61.976 61.300 0.085 0.000 1.402 143 I CB 0.985 39.034 38.000 0.080 0.000 1.399 143 I HN 0.801 nan 8.210 nan 0.000 0.535 144 T N 1.272 115.845 114.554 0.032 0.000 3.040 144 T HA 0.170 4.521 4.350 0.001 0.000 0.250 144 T C 0.384 175.076 174.700 -0.012 0.000 1.058 144 T CA -0.391 61.716 62.100 0.012 0.000 0.988 144 T CB -0.333 68.540 68.868 0.008 0.000 0.993 144 T HN 0.644 nan 8.240 nan 0.000 0.519 145 E N 1.377 121.568 120.200 -0.014 0.000 2.214 145 E HA 0.372 4.723 4.350 0.001 0.000 0.274 145 E C -0.812 175.757 176.600 -0.051 0.000 0.977 145 E CA -0.961 55.420 56.400 -0.031 0.000 0.827 145 E CB 0.690 30.377 29.700 -0.021 0.000 1.130 145 E HN -0.044 nan 8.360 nan 0.000 0.394 146 E N 1.280 121.438 120.200 -0.070 0.000 2.197 146 E HA -0.238 4.112 4.350 0.001 0.000 0.184 146 E C -0.707 175.817 176.600 -0.127 0.000 1.439 146 E CA 0.756 57.098 56.400 -0.098 0.000 0.688 146 E CB -1.292 28.358 29.700 -0.083 0.000 1.090 146 E HN 0.542 nan 8.360 nan 0.000 0.341 147 R N -0.052 120.360 120.500 -0.145 0.000 2.641 147 R HA 0.369 4.709 4.340 0.001 0.000 0.269 147 R C 1.050 177.166 176.300 -0.306 0.000 1.074 147 R CA -0.566 55.431 56.100 -0.172 0.000 1.133 147 R CB 0.552 30.776 30.300 -0.128 0.000 1.029 147 R HN 0.169 nan 8.270 nan 0.000 0.488 148 I N 4.811 125.159 120.570 -0.371 0.000 2.598 148 I HA 0.042 4.212 4.170 0.001 0.000 0.284 148 I C -1.554 174.238 176.117 -0.543 0.000 1.140 148 I CA -1.491 59.417 61.300 -0.653 0.000 1.420 148 I CB 0.450 38.055 38.000 -0.659 0.000 1.387 148 I HN 0.336 nan 8.210 nan 0.000 0.553 149 P HA 0.041 nan 4.420 nan 0.000 0.269 149 P C -0.732 176.325 177.300 -0.405 0.000 1.215 149 P CA -0.338 62.349 63.100 -0.687 0.000 0.780 149 P CB 0.397 31.262 31.700 -1.392 0.000 0.898 150 N N 1.485 120.028 118.700 -0.263 0.000 2.307 150 N HA -0.085 4.656 4.740 0.001 0.000 0.230 150 N C 0.519 176.067 175.510 0.064 0.000 1.297 150 N CA 0.479 53.455 53.050 -0.123 0.000 0.884 150 N CB -0.830 37.613 38.487 -0.073 0.000 1.115 150 N HN 0.419 nan 8.380 nan 0.000 0.436 151 N N -2.284 116.462 118.700 0.077 0.000 2.725 151 N HA -0.180 4.561 4.740 0.001 0.000 0.249 151 N C -0.981 174.720 175.510 0.318 0.000 1.103 151 N CA 0.834 53.989 53.050 0.174 0.000 0.707 151 N CB -1.591 37.015 38.487 0.199 0.000 1.043 151 N HN 0.458 nan 8.380 nan 0.000 0.553 152 T N 0.361 115.084 114.554 0.281 0.000 2.870 152 T HA 0.055 4.406 4.350 0.001 0.000 0.300 152 T C 1.447 176.309 174.700 0.269 0.000 0.989 152 T CA 0.023 62.310 62.100 0.311 0.000 1.139 152 T CB 1.121 70.070 68.868 0.136 0.000 0.920 152 T HN 0.209 nan 8.240 nan 0.000 0.537 153 Q N 1.860 121.803 119.800 0.238 0.000 2.250 153 Q HA 0.148 4.489 4.340 0.001 0.000 0.200 153 Q C 0.175 176.312 176.000 0.228 0.000 0.941 153 Q CA 0.462 56.407 55.803 0.236 0.000 0.872 153 Q CB 0.742 29.582 28.738 0.170 0.000 0.965 153 Q HN 0.711 nan 8.270 nan 0.000 0.480 154 W N 0.126 121.366 121.300 -0.101 0.000 3.573 154 W HA 0.447 5.108 4.660 0.001 0.000 0.306 154 W C -2.234 174.181 176.519 -0.174 0.000 1.227 154 W CA -0.656 56.587 57.345 -0.171 0.000 1.212 154 W CB 1.316 30.615 29.460 -0.268 0.000 1.331 154 W HN -0.367 nan 8.180 nan 0.000 0.524 155 V N 3.495 122.726 119.914 -1.139 0.000 2.789 155 V HA 0.679 4.800 4.120 0.001 0.000 0.311 155 V C -0.360 175.070 176.094 -1.106 0.000 1.073 155 V CA -0.633 61.091 62.300 -0.960 0.000 0.921 155 V CB 1.727 32.878 31.823 -1.120 0.000 1.009 155 V HN 0.483 nan 8.190 nan 0.000 0.426 156 T N 2.991 117.240 114.554 -0.507 0.000 2.952 156 T HA 0.522 4.873 4.350 0.001 0.000 0.305 156 T C -1.235 173.454 174.700 -0.018 0.000 1.064 156 T CA -0.337 61.666 62.100 -0.160 0.000 1.008 156 T CB 0.739 69.784 68.868 0.296 0.000 1.078 156 T HN 0.523 nan 8.240 nan 0.000 0.459 157 W N 3.280 124.600 121.300 0.033 0.000 2.112 157 W HA 0.409 5.069 4.660 0.001 0.000 0.349 157 W C 1.311 177.630 176.519 -0.333 0.000 1.289 157 W CA -0.556 56.745 57.345 -0.074 0.000 1.256 157 W CB 0.493 29.923 29.460 -0.049 0.000 1.148 157 W HN 0.776 nan 8.180 nan 0.000 0.590 158 S N 1.345 116.704 115.700 -0.567 0.000 2.589 158 S HA 0.126 4.597 4.470 0.001 0.000 0.265 158 S C -1.818 172.534 174.600 -0.413 0.000 1.342 158 S CA -0.926 56.499 58.200 -1.292 0.000 1.005 158 S CB 0.776 63.118 63.200 -1.429 0.000 0.909 158 S HN 0.290 nan 8.310 nan 0.000 0.555 159 P HA 0.068 nan 4.420 nan 0.000 0.221 159 P C 0.291 177.552 177.300 -0.065 0.000 1.150 159 P CA 0.594 63.662 63.100 -0.054 0.000 0.800 159 P CB -0.207 31.503 31.700 0.018 0.000 0.787 160 V N -6.023 113.814 119.914 -0.128 0.000 2.960 160 V HA 0.906 5.027 4.120 0.001 0.000 0.315 160 V C 0.536 176.531 176.094 -0.165 0.000 1.087 160 V CA -0.306 61.929 62.300 -0.109 0.000 0.982 160 V CB 0.867 32.643 31.823 -0.078 0.000 1.039 160 V HN 0.425 nan 8.190 nan 0.000 0.437 161 G N 1.928 110.645 108.800 -0.138 0.000 2.498 161 G HA2 -0.148 3.813 3.960 0.001 0.000 0.251 161 G HA3 -0.148 3.813 3.960 0.001 0.000 0.251 161 G C 0.149 174.962 174.900 -0.144 0.000 1.170 161 G CA 0.656 45.633 45.100 -0.205 0.000 0.944 161 G HN 2.509 nan 8.290 nan 0.000 0.567 162 H N -0.715 118.356 119.070 0.002 0.000 3.233 162 H HA 0.390 4.947 4.556 0.001 0.000 0.232 162 H C 0.143 175.646 175.328 0.292 0.000 1.322 162 H CA -0.195 55.930 56.048 0.128 0.000 1.043 162 H CB -0.321 29.510 29.762 0.115 0.000 2.572 162 H HN 0.511 nan 8.280 nan 0.000 0.597 163 K N 1.526 121.975 120.400 0.082 0.000 2.295 163 K HA 0.266 4.587 4.320 0.001 0.000 0.270 163 K C -0.489 176.185 176.600 0.124 0.000 1.011 163 K CA -0.549 55.761 56.287 0.039 0.000 0.953 163 K CB 1.252 33.604 32.500 -0.247 0.000 0.956 163 K HN 0.041 nan 8.250 nan 0.000 0.477 164 L N 1.963 123.269 121.223 0.139 0.000 2.341 164 L HA 0.470 4.811 4.340 0.001 0.000 0.278 164 L C -0.368 176.687 176.870 0.308 0.000 1.005 164 L CA -0.445 54.433 54.840 0.062 0.000 0.818 164 L CB 1.337 43.301 42.059 -0.158 0.000 1.259 164 L HN 0.758 nan 8.230 nan 0.000 0.418 165 A N 4.383 127.428 122.820 0.375 0.000 2.330 165 A HA 0.786 5.106 4.320 0.001 0.000 0.327 165 A C -1.334 176.284 177.584 0.056 0.000 1.155 165 A CA -0.368 51.759 52.037 0.149 0.000 0.803 165 A CB 0.989 19.986 19.000 -0.005 0.000 1.208 165 A HN 0.643 nan 8.150 nan 0.000 0.477 166 Y N -0.484 119.775 120.300 -0.069 0.000 2.581 166 Y HA 0.743 5.294 4.550 0.001 0.000 0.345 166 Y C -1.112 174.797 175.900 0.016 0.000 1.036 166 Y CA -1.589 56.443 58.100 -0.113 0.000 1.042 166 Y CB 1.134 39.454 38.460 -0.232 0.000 1.289 166 Y HN 0.358 nan 8.280 nan 0.000 0.471 167 V N 2.444 122.480 119.914 0.203 0.000 2.417 167 V HA 0.354 4.475 4.120 0.001 0.000 0.291 167 V C -1.372 174.933 176.094 0.351 0.000 1.024 167 V CA -0.557 61.843 62.300 0.166 0.000 0.861 167 V CB 1.153 32.982 31.823 0.010 0.000 0.985 167 V HN 0.873 nan 8.190 nan 0.000 0.436 168 W N 4.900 126.309 121.300 0.181 0.000 3.097 168 W HA 0.454 5.115 4.660 0.001 0.000 0.335 168 W C 0.262 176.850 176.519 0.114 0.000 1.114 168 W CA -0.882 56.543 57.345 0.133 0.000 1.231 168 W CB 1.213 30.722 29.460 0.081 0.000 1.388 168 W HN 0.776 nan 8.180 nan 0.000 0.485 169 N N 5.029 123.312 118.700 -0.695 0.000 2.727 169 N HA -0.335 4.406 4.740 0.001 0.000 0.249 169 N C -0.078 175.248 175.510 -0.306 0.000 1.048 169 N CA 0.997 53.661 53.050 -0.644 0.000 0.714 169 N CB -0.874 37.013 38.487 -1.001 0.000 0.959 169 N HN 0.690 nan 8.380 nan 0.000 0.544 170 N N -1.351 117.241 118.700 -0.180 0.000 2.800 170 N HA -0.159 4.582 4.740 0.001 0.000 0.250 170 N C -1.472 173.948 175.510 -0.149 0.000 1.078 170 N CA 1.618 54.585 53.050 -0.138 0.000 0.804 170 N CB -0.511 37.854 38.487 -0.203 0.000 1.135 170 N HN 0.544 nan 8.380 nan 0.000 0.565 171 D N -0.286 120.029 120.400 -0.142 0.000 2.527 171 D HA 0.501 5.141 4.640 0.001 0.000 0.233 171 D C 0.384 176.504 176.300 -0.300 0.000 1.063 171 D CA -0.461 53.376 54.000 -0.272 0.000 0.880 171 D CB 1.446 42.027 40.800 -0.365 0.000 1.457 171 D HN -0.022 nan 8.370 nan 0.000 0.475 172 I N 1.512 121.755 120.570 -0.545 0.000 2.396 172 I HA 0.269 4.439 4.170 0.001 0.000 0.292 172 I C -0.677 174.980 176.117 -0.766 0.000 0.999 172 I CA -0.455 60.515 61.300 -0.550 0.000 1.310 172 I CB 0.643 38.249 38.000 -0.657 0.000 1.404 172 I HN 0.162 nan 8.210 nan 0.000 0.496 173 Y N 3.939 123.854 120.300 -0.642 0.000 2.477 173 Y HA 0.609 5.160 4.550 0.001 0.000 0.347 173 Y C -0.453 175.103 175.900 -0.573 0.000 0.981 173 Y CA -0.974 56.702 58.100 -0.707 0.000 1.033 173 Y CB 2.136 39.875 38.460 -1.202 0.000 1.245 173 Y HN 0.118 nan 8.280 nan 0.000 0.455 174 V N 3.518 123.377 119.914 -0.092 0.000 2.540 174 V HA 0.421 4.542 4.120 0.001 0.000 0.302 174 V C -0.705 175.524 176.094 0.225 0.000 1.035 174 V CA -1.366 60.984 62.300 0.085 0.000 0.873 174 V CB 1.797 33.693 31.823 0.122 0.000 0.992 174 V HN 0.617 nan 8.190 nan 0.000 0.428 175 K N 4.676 125.207 120.400 0.218 0.000 2.265 175 K HA 0.463 4.784 4.320 0.001 0.000 0.267 175 K C 0.273 177.003 176.600 0.216 0.000 0.994 175 K CA -0.735 55.671 56.287 0.198 0.000 0.860 175 K CB 1.967 34.537 32.500 0.116 0.000 1.099 175 K HN 0.406 nan 8.250 nan 0.000 0.448 176 I N 1.111 121.833 120.570 0.253 0.000 2.353 176 I HA -0.069 4.102 4.170 0.001 0.000 0.248 176 I C 0.456 176.670 176.117 0.161 0.000 1.119 176 I CA 1.290 62.705 61.300 0.190 0.000 1.417 176 I CB -0.444 37.679 38.000 0.205 0.000 1.078 176 I HN 0.636 nan 8.210 nan 0.000 0.421 177 E N -0.821 119.465 120.200 0.143 0.000 2.314 177 E HA 0.322 4.673 4.350 0.001 0.000 0.272 177 E C -1.953 174.640 176.600 -0.013 0.000 0.884 177 E CA -1.738 54.726 56.400 0.106 0.000 0.753 177 E CB 2.519 32.285 29.700 0.111 0.000 1.213 177 E HN -0.227 nan 8.360 nan 0.000 0.432 178 P HA -0.118 nan 4.420 nan 0.000 0.219 178 P C 0.327 177.557 177.300 -0.117 0.000 1.146 178 P CA 1.043 64.011 63.100 -0.219 0.000 0.808 178 P CB 0.197 31.585 31.700 -0.520 0.000 0.779 179 N N -1.510 117.142 118.700 -0.080 0.000 2.270 179 N HA 0.044 4.785 4.740 0.001 0.000 0.198 179 N C 0.007 175.502 175.510 -0.024 0.000 1.117 179 N CA 0.190 53.221 53.050 -0.032 0.000 0.845 179 N CB -0.077 38.412 38.487 0.002 0.000 0.980 179 N HN 0.114 nan 8.380 nan 0.000 0.486 180 L N 1.148 122.357 121.223 -0.023 0.000 2.344 180 L HA 0.557 4.898 4.340 0.001 0.000 0.272 180 L C -2.173 174.658 176.870 -0.065 0.000 1.035 180 L CA -2.163 52.663 54.840 -0.024 0.000 0.807 180 L CB 1.245 43.314 42.059 0.016 0.000 1.237 180 L HN -0.135 nan 8.230 nan 0.000 0.442 181 P HA 0.116 nan 4.420 nan 0.000 0.269 181 P C -0.914 176.239 177.300 -0.244 0.000 1.217 181 P CA -0.111 62.888 63.100 -0.168 0.000 0.783 181 P CB 0.422 32.002 31.700 -0.200 0.000 0.898 182 S N 0.682 116.286 115.700 -0.159 0.000 2.617 182 S HA 0.315 4.785 4.470 0.001 0.000 0.269 182 S C -0.569 173.891 174.600 -0.233 0.000 1.292 182 S CA -0.142 58.005 58.200 -0.088 0.000 1.010 182 S CB -0.019 63.232 63.200 0.086 0.000 0.944 182 S HN 0.251 nan 8.310 nan 0.000 0.536 183 Y N 0.645 120.962 120.300 0.029 0.000 2.342 183 Y HA 0.347 4.897 4.550 0.001 0.000 0.338 183 Y C 0.863 176.668 175.900 -0.158 0.000 0.965 183 Y CA -0.772 57.321 58.100 -0.013 0.000 1.159 183 Y CB 0.659 39.115 38.460 -0.006 0.000 1.157 183 Y HN 0.364 nan 8.280 nan 0.000 0.486 184 R N 3.957 124.371 120.500 -0.144 0.000 2.446 184 R HA 0.051 4.392 4.340 0.001 0.000 0.325 184 R C 0.500 176.543 176.300 -0.429 0.000 0.997 184 R CA 0.256 55.955 56.100 -0.669 0.000 1.010 184 R CB 0.367 30.008 30.300 -1.099 0.000 0.946 184 R HN 0.790 nan 8.270 nan 0.000 0.422 185 I N 1.437 121.695 120.570 -0.521 0.000 2.400 185 I HA -0.093 4.077 4.170 0.001 0.000 0.248 185 I C 1.372 177.286 176.117 -0.339 0.000 1.109 185 I CA 1.323 62.420 61.300 -0.338 0.000 1.425 185 I CB -0.645 37.108 38.000 -0.411 0.000 1.094 185 I HN 0.442 nan 8.210 nan 0.000 0.425 186 T N -3.711 110.508 114.554 -0.559 0.000 2.856 186 T HA 0.372 4.723 4.350 0.001 0.000 0.283 186 T C -0.519 173.894 174.700 -0.479 0.000 1.008 186 T CA -0.539 61.321 62.100 -0.400 0.000 0.997 186 T CB 1.772 70.382 68.868 -0.429 0.000 0.992 186 T HN 0.186 nan 8.240 nan 0.000 0.454 187 W N 0.770 121.944 121.300 -0.210 0.000 2.702 187 W HA 0.241 4.902 4.660 0.001 0.000 0.369 187 W C 1.801 178.249 176.519 -0.118 0.000 0.987 187 W CA -0.231 57.026 57.345 -0.148 0.000 1.702 187 W CB 0.383 29.780 29.460 -0.104 0.000 1.138 187 W HN 0.929 nan 8.180 nan 0.000 0.552 188 T N -3.190 111.381 114.554 0.029 0.000 3.069 188 T HA 0.285 4.636 4.350 0.001 0.000 0.252 188 T C 1.170 175.845 174.700 -0.042 0.000 1.053 188 T CA 0.053 62.157 62.100 0.006 0.000 0.964 188 T CB -0.030 68.837 68.868 -0.001 0.000 1.005 188 T HN -0.013 nan 8.240 nan 0.000 0.532 189 G N 1.514 110.258 108.800 -0.093 0.000 2.254 189 G HA2 0.345 4.306 3.960 0.001 0.000 0.253 189 G HA3 0.345 4.306 3.960 0.001 0.000 0.253 189 G C -0.611 174.209 174.900 -0.133 0.000 1.246 189 G CA -0.340 44.682 45.100 -0.131 0.000 0.946 189 G HN 0.500 nan 8.290 nan 0.000 0.474 190 K N 2.298 122.605 120.400 -0.155 0.000 2.471 190 K HA 0.193 4.514 4.320 0.001 0.000 0.252 190 K C -0.002 176.466 176.600 -0.219 0.000 0.938 190 K CA -0.691 55.506 56.287 -0.150 0.000 0.796 190 K CB 1.706 34.151 32.500 -0.091 0.000 1.161 190 K HN 0.639 nan 8.250 nan 0.000 0.425 191 E N 3.192 123.277 120.200 -0.192 0.000 2.652 191 E HA -0.179 4.171 4.350 0.001 0.000 0.255 191 E C -0.564 175.938 176.600 -0.162 0.000 0.952 191 E CA 0.922 57.210 56.400 -0.186 0.000 0.947 191 E CB 0.230 29.857 29.700 -0.121 0.000 0.912 191 E HN 0.642 nan 8.360 nan 0.000 0.489 192 D N 2.208 122.491 120.400 -0.194 0.000 3.006 192 D HA -0.251 4.390 4.640 0.001 0.000 0.208 192 D C 0.531 176.836 176.300 0.007 0.000 1.116 192 D CA 1.640 55.640 54.000 -0.000 0.000 0.998 192 D CB -0.887 39.970 40.800 0.095 0.000 1.124 192 D HN 0.512 nan 8.370 nan 0.000 0.413 193 I N -1.026 119.436 120.570 -0.179 0.000 3.623 193 I HA 0.137 4.308 4.170 0.001 0.000 0.253 193 I C 0.525 176.643 176.117 0.001 0.000 1.144 193 I CA -0.010 61.283 61.300 -0.011 0.000 1.461 193 I CB 0.496 38.496 38.000 0.000 0.000 1.575 193 I HN -0.200 nan 8.210 nan 0.000 0.445 194 I N 0.542 121.023 120.570 -0.149 0.000 2.378 194 I HA 0.230 4.401 4.170 0.001 0.000 0.291 194 I C -1.515 174.514 176.117 -0.147 0.000 0.992 194 I CA -0.232 61.057 61.300 -0.018 0.000 1.154 194 I CB 1.160 39.168 38.000 0.015 0.000 1.315 194 I HN -0.030 nan 8.210 nan 0.000 0.448 195 Y N 4.417 124.805 120.300 0.147 0.000 2.376 195 Y HA 0.445 4.996 4.550 0.001 0.000 0.326 195 Y C -0.288 175.679 175.900 0.112 0.000 0.970 195 Y CA -0.987 57.201 58.100 0.146 0.000 1.248 195 Y CB 0.691 39.310 38.460 0.264 0.000 1.117 195 Y HN 0.470 nan 8.280 nan 0.000 0.476 196 N N 1.643 120.398 118.700 0.090 0.000 2.426 196 N HA 0.439 5.180 4.740 0.001 0.000 0.257 196 N C 0.792 176.233 175.510 -0.116 0.000 1.002 196 N CA 0.184 53.212 53.050 -0.037 0.000 0.942 196 N CB 1.356 39.704 38.487 -0.231 0.000 1.112 196 N HN 0.909 nan 8.380 nan 0.000 0.499 197 G N 1.611 110.371 108.800 -0.067 0.000 2.166 197 G HA2 -0.271 3.690 3.960 0.001 0.000 0.260 197 G HA3 -0.271 3.690 3.960 0.001 0.000 0.260 197 G C 0.013 174.759 174.900 -0.255 0.000 0.986 197 G CA 0.910 45.896 45.100 -0.189 0.000 0.683 197 G HN 0.649 nan 8.290 nan 0.000 0.527 198 I N -2.726 117.768 120.570 -0.126 0.000 2.865 198 I HA 0.826 4.997 4.170 0.001 0.000 0.302 198 I C 0.265 176.373 176.117 -0.016 0.000 1.140 198 I CA -0.744 60.381 61.300 -0.291 0.000 1.021 198 I CB 1.979 39.639 38.000 -0.567 0.000 1.233 198 I HN 0.167 nan 8.210 nan 0.000 0.427 199 T N -0.543 113.911 114.554 -0.168 0.000 2.902 199 T HA 0.451 4.802 4.350 0.001 0.000 0.280 199 T C -0.218 174.207 174.700 -0.458 0.000 0.992 199 T CA -0.633 61.180 62.100 -0.479 0.000 1.015 199 T CB 1.240 69.950 68.868 -0.263 0.000 1.044 199 T HN 0.791 nan 8.240 nan 0.000 0.520 200 D N -0.021 119.886 120.400 -0.822 0.000 2.478 200 D HA 0.042 4.683 4.640 0.001 0.000 0.274 200 D C 0.994 177.226 176.300 -0.113 0.000 1.234 200 D CA -1.107 52.474 54.000 -0.697 0.000 1.069 200 D CB 0.076 40.437 40.800 -0.732 0.000 1.113 200 D HN 0.717 nan 8.370 nan 0.000 0.571 201 W N 0.033 121.289 121.300 -0.074 0.000 2.333 201 W HA -0.217 4.444 4.660 0.002 0.000 0.316 201 W C 2.128 178.568 176.519 -0.132 0.000 1.215 201 W CA 2.220 59.525 57.345 -0.066 0.000 1.278 201 W CB -0.404 28.967 29.460 -0.148 0.000 1.154 201 W HN 0.173 nan 8.180 nan 0.000 0.486 202 V N -0.179 119.867 119.914 0.220 0.000 2.548 202 V HA -0.270 3.851 4.120 0.001 0.000 0.249 202 V C 1.819 177.792 176.094 -0.202 0.000 1.055 202 V CA 1.853 64.171 62.300 0.030 0.000 1.065 202 V CB -0.721 31.111 31.823 0.015 0.000 0.681 202 V HN 0.295 nan 8.190 nan 0.000 0.462 203 Y N 0.639 120.805 120.300 -0.222 0.000 2.293 203 Y HA -0.166 4.385 4.550 0.001 0.000 0.291 203 Y C 2.543 178.357 175.900 -0.143 0.000 1.137 203 Y CA 2.053 60.023 58.100 -0.217 0.000 1.202 203 Y CB 0.019 38.248 38.460 -0.385 0.000 0.990 203 Y HN 0.410 nan 8.280 nan 0.000 0.537 204 E N 0.343 120.514 120.200 -0.049 0.000 2.028 204 E HA -0.263 4.088 4.350 0.001 0.000 0.191 204 E C 2.017 178.576 176.600 -0.069 0.000 0.988 204 E CA 1.413 57.803 56.400 -0.016 0.000 0.799 204 E CB -0.022 29.664 29.700 -0.024 0.000 0.755 204 E HN 0.349 nan 8.360 nan 0.000 0.447 205 E N 0.120 120.089 120.200 -0.385 0.000 2.107 205 E HA -0.155 4.196 4.350 0.001 0.000 0.191 205 E C 1.456 177.936 176.600 -0.200 0.000 0.982 205 E CA 1.427 57.582 56.400 -0.409 0.000 0.809 205 E CB 0.240 29.334 29.700 -1.010 0.000 0.756 205 E HN 0.243 nan 8.360 nan 0.000 0.459 206 E N -1.200 118.868 120.200 -0.220 0.000 2.485 206 E HA 0.128 4.479 4.350 0.001 0.000 0.213 206 E C 1.575 178.043 176.600 -0.219 0.000 0.923 206 E CA 0.357 56.664 56.400 -0.154 0.000 1.054 206 E CB 1.027 30.632 29.700 -0.157 0.000 1.077 206 E HN 0.172 nan 8.360 nan 0.000 0.509 207 V N -0.322 119.414 119.914 -0.298 0.000 2.784 207 V HA 0.073 4.194 4.120 0.001 0.000 0.231 207 V C 1.495 177.371 176.094 -0.363 0.000 1.128 207 V CA 0.734 62.763 62.300 -0.452 0.000 1.178 207 V CB -0.318 31.070 31.823 -0.724 0.000 0.943 207 V HN 0.005 nan 8.190 nan 0.000 0.500 208 F N 0.752 120.718 119.950 0.027 0.000 2.698 208 F HA 0.263 4.791 4.527 0.001 0.000 0.295 208 F C 1.572 177.339 175.800 -0.055 0.000 1.124 208 F CA 0.364 58.394 58.000 0.049 0.000 1.426 208 F CB -0.281 38.796 39.000 0.129 0.000 1.120 208 F HN 0.109 nan 8.300 nan 0.000 0.583 209 S N 0.231 115.947 115.700 0.027 0.000 3.641 209 S HA 0.005 4.476 4.470 0.001 0.000 0.346 209 S C 0.061 174.222 174.600 -0.731 0.000 1.074 209 S CA 0.388 58.470 58.200 -0.195 0.000 1.026 209 S CB -1.868 61.283 63.200 -0.080 0.000 0.908 209 S HN 0.685 nan 8.310 nan 0.000 0.479 210 A N -0.741 121.859 122.820 -0.366 0.000 2.597 210 A HA 0.680 5.001 4.320 0.001 0.000 0.292 210 A C -0.386 177.170 177.584 -0.046 0.000 1.057 210 A CA -0.391 51.468 52.037 -0.296 0.000 0.674 210 A CB 0.295 19.144 19.000 -0.252 0.000 1.278 210 A HN 0.367 nan 8.150 nan 0.000 0.416 211 Y N 0.923 121.078 120.300 -0.241 0.000 2.448 211 Y HA 0.162 4.713 4.550 0.001 0.000 0.289 211 Y C 1.466 177.086 175.900 -0.467 0.000 1.114 211 Y CA 1.023 58.979 58.100 -0.239 0.000 1.235 211 Y CB 0.321 38.687 38.460 -0.157 0.000 1.045 211 Y HN 0.671 nan 8.280 nan 0.000 0.554 212 S N 0.580 115.780 115.700 -0.833 0.000 2.549 212 S HA 0.401 4.872 4.470 0.001 0.000 0.283 212 S C 0.139 174.206 174.600 -0.890 0.000 1.320 212 S CA 0.199 57.654 58.200 -1.241 0.000 1.058 212 S CB 0.917 63.038 63.200 -1.799 0.000 0.882 212 S HN 0.406 nan 8.310 nan 0.000 0.498 213 A N 5.639 127.936 122.820 -0.871 0.000 2.992 213 A HA 0.500 4.820 4.320 0.001 0.000 0.263 213 A C -0.628 176.241 177.584 -1.192 0.000 0.928 213 A CA -0.434 50.984 52.037 -1.031 0.000 1.061 213 A CB 0.001 18.849 19.000 -0.252 0.000 1.173 213 A HN 0.694 nan 8.150 nan 0.000 0.482 214 L N 0.579 121.041 121.223 -1.268 0.000 2.362 214 L HA 0.585 4.926 4.340 0.001 0.000 0.275 214 L C -1.087 175.309 176.870 -0.790 0.000 0.998 214 L CA -0.528 53.858 54.840 -0.756 0.000 0.820 214 L CB 1.735 43.571 42.059 -0.372 0.000 1.270 214 L HN 0.447 nan 8.230 nan 0.000 0.415 215 W N 2.635 123.982 121.300 0.079 0.000 2.543 215 W HA 0.239 4.900 4.660 0.001 0.000 0.318 215 W C -1.023 175.726 176.519 0.383 0.000 1.002 215 W CA -1.134 56.380 57.345 0.283 0.000 1.302 215 W CB 1.284 30.957 29.460 0.355 0.000 1.299 215 W HN 0.486 nan 8.180 nan 0.000 0.424 216 W N 2.322 123.837 121.300 0.360 0.000 2.170 216 W HA 0.212 4.872 4.660 0.001 0.000 0.336 216 W C 1.333 177.671 176.519 -0.302 0.000 1.283 216 W CA 0.340 57.751 57.345 0.110 0.000 1.224 216 W CB 0.765 30.261 29.460 0.059 0.000 1.132 216 W HN 0.199 nan 8.180 nan 0.000 0.571 217 S N 2.604 117.997 115.700 -0.511 0.000 2.584 217 S HA 0.130 4.601 4.470 0.001 0.000 0.270 217 S C -1.690 172.647 174.600 -0.438 0.000 1.346 217 S CA -0.981 56.400 58.200 -1.364 0.000 1.018 217 S CB 0.991 63.444 63.200 -1.245 0.000 0.899 217 S HN 0.291 nan 8.310 nan 0.000 0.542 218 P HA -0.196 nan 4.420 nan 0.000 0.220 218 P C 0.777 178.047 177.300 -0.050 0.000 1.155 218 P CA 1.897 64.962 63.100 -0.058 0.000 0.880 218 P CB -0.255 31.453 31.700 0.014 0.000 0.790 219 N N -2.304 116.351 118.700 -0.074 0.000 2.238 219 N HA 0.169 4.910 4.740 0.001 0.000 0.222 219 N C 0.916 176.361 175.510 -0.108 0.000 1.133 219 N CA 0.277 53.284 53.050 -0.072 0.000 0.854 219 N CB -0.769 37.690 38.487 -0.047 0.000 1.041 219 N HN 0.141 nan 8.380 nan 0.000 0.510 220 G N -0.865 107.879 108.800 -0.093 0.000 2.160 220 G HA2 -0.329 3.632 3.960 0.001 0.000 0.251 220 G HA3 -0.329 3.632 3.960 0.001 0.000 0.251 220 G C 0.796 175.734 174.900 0.063 0.000 1.008 220 G CA 0.849 45.910 45.100 -0.066 0.000 0.724 220 G HN 0.390 nan 8.290 nan 0.000 0.514 221 T N -0.381 114.145 114.554 -0.046 0.000 2.809 221 T HA 0.262 4.613 4.350 0.001 0.000 0.260 221 T C 0.781 175.310 174.700 -0.286 0.000 1.039 221 T CA 1.090 63.048 62.100 -0.237 0.000 1.141 221 T CB -0.026 68.573 68.868 -0.448 0.000 0.869 221 T HN 0.287 nan 8.240 nan 0.000 0.437 222 F N 0.818 120.791 119.950 0.038 0.000 2.421 222 F HA 0.590 5.117 4.527 0.001 0.000 0.337 222 F C -0.265 175.581 175.800 0.077 0.000 1.105 222 F CA -1.488 56.566 58.000 0.090 0.000 1.049 222 F CB 1.053 40.184 39.000 0.217 0.000 1.139 222 F HN -0.078 nan 8.300 nan 0.000 0.479 223 L N 3.499 124.808 121.223 0.142 0.000 2.276 223 L HA 0.770 5.111 4.340 0.001 0.000 0.286 223 L C -0.338 176.602 176.870 0.116 0.000 1.024 223 L CA -0.435 54.311 54.840 -0.156 0.000 0.826 223 L CB 0.460 42.104 42.059 -0.692 0.000 1.211 223 L HN 0.682 nan 8.230 nan 0.000 0.422 224 A N 5.044 128.028 122.820 0.274 0.000 2.304 224 A HA 0.714 5.035 4.320 0.001 0.000 0.301 224 A C -1.319 176.320 177.584 0.092 0.000 1.132 224 A CA -0.235 51.854 52.037 0.086 0.000 0.819 224 A CB 0.444 19.592 19.000 0.248 0.000 1.094 224 A HN 0.857 nan 8.150 nan 0.000 0.492 225 Y N -1.535 118.510 120.300 -0.425 0.000 2.581 225 Y HA 0.726 5.277 4.550 0.001 0.000 0.337 225 Y C -0.308 175.412 175.900 -0.299 0.000 1.108 225 Y CA -0.953 57.002 58.100 -0.242 0.000 1.033 225 Y CB 0.872 39.184 38.460 -0.246 0.000 1.318 225 Y HN 0.889 nan 8.280 nan 0.000 0.459 226 A N 2.828 125.747 122.820 0.165 0.000 2.303 226 A HA 0.597 4.918 4.320 0.001 0.000 0.317 226 A C -0.887 176.648 177.584 -0.082 0.000 1.149 226 A CA -0.751 51.269 52.037 -0.029 0.000 0.822 226 A CB 1.327 20.227 19.000 -0.167 0.000 1.131 226 A HN 0.815 nan 8.150 nan 0.000 0.493 227 Q N 1.746 121.450 119.800 -0.161 0.000 2.325 227 Q HA 0.573 4.914 4.340 0.001 0.000 0.270 227 Q C -1.954 173.872 176.000 -0.290 0.000 1.020 227 Q CA -0.368 55.411 55.803 -0.040 0.000 0.785 227 Q CB 0.882 29.775 28.738 0.258 0.000 1.259 227 Q HN 0.591 nan 8.270 nan 0.000 0.452 228 F N 2.383 122.449 119.950 0.194 0.000 2.422 228 F HA 0.415 4.942 4.527 0.001 0.000 0.333 228 F C 0.559 176.538 175.800 0.298 0.000 1.095 228 F CA -0.826 57.275 58.000 0.168 0.000 1.038 228 F CB 1.211 40.215 39.000 0.005 0.000 1.156 228 F HN 0.470 nan 8.300 nan 0.000 0.483 229 N N 1.623 120.565 118.700 0.404 0.000 2.483 229 N HA 0.222 4.963 4.740 0.001 0.000 0.267 229 N C -1.120 174.579 175.510 0.315 0.000 0.998 229 N CA -0.390 52.851 53.050 0.318 0.000 0.918 229 N CB 1.101 39.714 38.487 0.209 0.000 1.215 229 N HN 0.530 nan 8.380 nan 0.000 0.500 230 D N 1.560 122.167 120.400 0.345 0.000 2.463 230 D HA 0.165 4.806 4.640 0.001 0.000 0.224 230 D C 1.086 177.508 176.300 0.204 0.000 1.174 230 D CA 0.113 54.295 54.000 0.303 0.000 0.829 230 D CB 0.589 41.643 40.800 0.423 0.000 0.993 230 D HN 0.476 nan 8.370 nan 0.000 0.497 231 T N 0.114 114.764 114.554 0.161 0.000 2.665 231 T HA -0.176 4.174 4.350 0.001 0.000 0.268 231 T C 1.364 176.120 174.700 0.093 0.000 1.035 231 T CA 1.286 63.452 62.100 0.110 0.000 1.151 231 T CB 0.008 68.929 68.868 0.088 0.000 0.862 231 T HN 0.281 nan 8.240 nan 0.000 0.438 232 E N 0.338 120.594 120.200 0.094 0.000 2.476 232 E HA 0.160 4.511 4.350 0.001 0.000 0.196 232 E C -0.373 176.276 176.600 0.081 0.000 1.029 232 E CA -0.234 56.211 56.400 0.074 0.000 0.896 232 E CB 0.597 30.333 29.700 0.060 0.000 1.012 232 E HN 0.202 nan 8.360 nan 0.000 0.475 233 V N 4.035 124.013 119.914 0.107 0.000 2.485 233 V HA 0.052 4.173 4.120 0.001 0.000 0.287 233 V C -1.949 174.204 176.094 0.099 0.000 1.022 233 V CA -1.247 61.120 62.300 0.113 0.000 1.067 233 V CB -0.161 31.751 31.823 0.148 0.000 0.967 233 V HN 0.042 nan 8.190 nan 0.000 0.479 234 P HA 0.284 nan 4.420 nan 0.000 0.273 234 P C -0.701 176.638 177.300 0.065 0.000 1.250 234 P CA -0.338 62.800 63.100 0.064 0.000 0.793 234 P CB 0.553 32.287 31.700 0.057 0.000 1.011 235 L N 1.166 122.404 121.223 0.025 0.000 2.307 235 L HA 0.428 4.768 4.340 0.001 0.000 0.284 235 L C 0.342 177.166 176.870 -0.076 0.000 1.023 235 L CA -1.087 53.750 54.840 -0.006 0.000 0.810 235 L CB 1.197 43.245 42.059 -0.017 0.000 1.231 235 L HN 0.269 nan 8.230 nan 0.000 0.423 236 I N 2.904 123.379 120.570 -0.157 0.000 2.496 236 I HA 0.123 4.294 4.170 0.001 0.000 0.285 236 I C -0.124 175.844 176.117 -0.248 0.000 1.080 236 I CA 0.477 61.585 61.300 -0.320 0.000 1.404 236 I CB 0.474 37.984 38.000 -0.816 0.000 1.403 236 I HN 0.569 nan 8.210 nan 0.000 0.539 237 E N 7.448 127.528 120.200 -0.201 0.000 2.210 237 E HA 0.493 4.844 4.350 0.001 0.000 0.266 237 E C -1.720 174.812 176.600 -0.113 0.000 0.883 237 E CA -0.582 55.693 56.400 -0.209 0.000 0.761 237 E CB 1.988 31.602 29.700 -0.144 0.000 1.156 237 E HN 0.555 nan 8.360 nan 0.000 0.412 238 Y N -1.706 118.511 120.300 -0.140 0.000 2.638 238 Y HA 0.521 5.072 4.550 0.001 0.000 0.335 238 Y C -0.655 175.173 175.900 -0.121 0.000 1.155 238 Y CA -1.292 56.731 58.100 -0.128 0.000 1.046 238 Y CB 0.810 39.198 38.460 -0.119 0.000 1.303 238 Y HN 0.187 nan 8.280 nan 0.000 0.460 239 S N 1.762 117.468 115.700 0.010 0.000 2.545 239 S HA 0.460 4.931 4.470 0.001 0.000 0.275 239 S C -1.402 173.050 174.600 -0.247 0.000 1.299 239 S CA -0.360 57.682 58.200 -0.263 0.000 1.048 239 S CB 0.070 62.944 63.200 -0.543 0.000 0.938 239 S HN 0.527 nan 8.310 nan 0.000 0.496 240 F N 2.922 122.617 119.950 -0.425 0.000 2.477 240 F HA 0.404 4.932 4.527 0.001 0.000 0.335 240 F C -0.173 175.421 175.800 -0.344 0.000 1.130 240 F CA -0.738 57.095 58.000 -0.279 0.000 0.948 240 F CB 0.823 39.792 39.000 -0.052 0.000 1.154 240 F HN 0.692 nan 8.300 nan 0.000 0.439 241 Y N 2.661 122.745 120.300 -0.361 0.000 2.448 241 Y HA 0.086 4.636 4.550 0.001 0.000 0.289 241 Y C 1.742 177.555 175.900 -0.145 0.000 1.114 241 Y CA 1.086 59.063 58.100 -0.205 0.000 1.235 241 Y CB -0.346 37.981 38.460 -0.222 0.000 1.045 241 Y HN 0.754 nan 8.280 nan 0.000 0.554 242 S N -0.147 115.440 115.700 -0.189 0.000 3.307 242 S HA -0.298 4.173 4.470 0.001 0.000 0.634 242 S C -0.275 174.358 174.600 0.055 0.000 2.711 242 S CA 0.371 58.611 58.200 0.068 0.000 2.940 242 S CB -1.222 62.142 63.200 0.274 0.000 0.331 242 S HN 0.516 nan 8.310 nan 0.000 1.766 243 D N 1.569 122.029 120.400 0.100 0.000 2.390 243 D HA 0.224 4.865 4.640 0.001 0.000 0.236 243 D C 1.428 177.758 176.300 0.050 0.000 1.189 243 D CA 0.853 54.894 54.000 0.068 0.000 0.887 243 D CB 0.333 41.177 40.800 0.075 0.000 1.198 243 D HN 0.592 nan 8.370 nan 0.000 0.444 244 E N -0.086 120.132 120.200 0.030 0.000 2.401 244 E HA -0.183 4.168 4.350 0.001 0.000 0.199 244 E C 1.025 177.636 176.600 0.019 0.000 1.023 244 E CA 0.954 57.363 56.400 0.015 0.000 0.859 244 E CB -0.037 29.664 29.700 0.001 0.000 0.780 244 E HN 0.333 nan 8.360 nan 0.000 0.523 245 S N 0.355 116.075 115.700 0.032 0.000 2.496 245 S HA -0.026 4.445 4.470 0.001 0.000 0.224 245 S C 0.879 175.506 174.600 0.045 0.000 0.996 245 S CA -0.292 57.928 58.200 0.034 0.000 0.927 245 S CB -0.169 63.054 63.200 0.038 0.000 0.774 245 S HN 0.263 nan 8.310 nan 0.000 0.524 246 L N 2.955 124.214 121.223 0.060 0.000 2.485 246 L HA 0.262 4.603 4.340 0.001 0.000 0.279 246 L C 1.418 178.323 176.870 0.058 0.000 1.124 246 L CA 0.232 55.120 54.840 0.080 0.000 0.888 246 L CB 0.200 42.323 42.059 0.107 0.000 1.217 246 L HN 0.292 nan 8.230 nan 0.000 0.464 247 Q N 3.839 123.675 119.800 0.060 0.000 2.079 247 Q HA -0.102 4.239 4.340 0.001 0.000 0.200 247 Q C -0.482 175.427 176.000 -0.152 0.000 0.974 247 Q CA 1.368 57.148 55.803 -0.039 0.000 0.840 247 Q CB 0.160 28.896 28.738 -0.003 0.000 0.898 247 Q HN 0.664 nan 8.270 nan 0.000 0.430 248 Y N 0.566 120.883 120.300 0.029 0.000 2.328 248 Y HA 0.363 4.914 4.550 0.001 0.000 0.336 248 Y C -2.020 173.895 175.900 0.027 0.000 0.960 248 Y CA -2.858 55.256 58.100 0.024 0.000 1.134 248 Y CB 1.369 39.835 38.460 0.010 0.000 1.166 248 Y HN 0.152 nan 8.280 nan 0.000 0.464 249 P HA -0.036 nan 4.420 nan 0.000 0.267 249 P C -0.528 176.792 177.300 0.033 0.000 1.201 249 P CA -0.214 62.916 63.100 0.049 0.000 0.775 249 P CB 0.725 32.404 31.700 -0.036 0.000 0.854 250 K N 1.138 121.543 120.400 0.010 0.000 2.143 250 K HA 0.306 4.627 4.320 0.001 0.000 0.272 250 K C -0.558 176.007 176.600 -0.059 0.000 1.001 250 K CA -0.250 56.045 56.287 0.012 0.000 0.915 250 K CB 0.668 33.213 32.500 0.075 0.000 1.047 250 K HN 0.358 nan 8.250 nan 0.000 0.458 251 T N 2.936 117.440 114.554 -0.084 0.000 2.743 251 T HA 0.202 4.553 4.350 0.001 0.000 0.292 251 T C -0.299 174.282 174.700 -0.197 0.000 0.972 251 T CA -0.580 61.434 62.100 -0.143 0.000 0.967 251 T CB 0.870 69.666 68.868 -0.120 0.000 0.926 251 T HN 0.215 nan 8.240 nan 0.000 0.459 252 V N 5.596 125.304 119.914 -0.342 0.000 2.530 252 V HA 0.401 4.522 4.120 0.001 0.000 0.282 252 V C 0.482 176.283 176.094 -0.488 0.000 1.048 252 V CA -0.484 61.550 62.300 -0.443 0.000 0.997 252 V CB 0.676 32.107 31.823 -0.653 0.000 0.987 252 V HN 0.721 nan 8.190 nan 0.000 0.477 253 R N 3.485 123.831 120.500 -0.256 0.000 2.451 253 R HA 0.692 5.032 4.340 0.001 0.000 0.307 253 R C -1.616 174.651 176.300 -0.055 0.000 0.965 253 R CA -0.531 55.466 56.100 -0.172 0.000 0.865 253 R CB 2.121 32.359 30.300 -0.105 0.000 1.174 253 R HN 0.533 nan 8.270 nan 0.000 0.455 254 V N 3.994 123.877 119.914 -0.052 0.000 2.487 254 V HA 0.371 4.492 4.120 0.001 0.000 0.298 254 V C -2.319 173.823 176.094 0.079 0.000 1.028 254 V CA -2.588 59.755 62.300 0.072 0.000 0.860 254 V CB 2.020 33.855 31.823 0.021 0.000 0.991 254 V HN 0.602 nan 8.190 nan 0.000 0.427 255 P HA 0.204 nan 4.420 nan 0.000 0.271 255 P C -1.275 176.137 177.300 0.185 0.000 1.233 255 P CA 0.293 63.501 63.100 0.180 0.000 0.764 255 P CB -0.100 31.749 31.700 0.248 0.000 0.825 256 Y N 5.675 125.960 120.300 -0.025 0.000 2.298 256 Y HA 0.345 4.896 4.550 0.001 0.000 0.322 256 Y C -2.706 173.174 175.900 -0.033 0.000 1.138 256 Y CA -2.629 55.404 58.100 -0.112 0.000 1.127 256 Y CB 2.039 40.315 38.460 -0.308 0.000 1.178 256 Y HN 0.288 nan 8.280 nan 0.000 0.428 257 P HA 0.208 nan 4.420 nan 0.000 0.284 257 P C -1.006 176.318 177.300 0.041 0.000 1.343 257 P CA -0.074 63.051 63.100 0.042 0.000 0.826 257 P CB 0.985 32.702 31.700 0.028 0.000 0.956 258 K N 2.057 122.586 120.400 0.215 0.000 2.138 258 K HA 0.470 4.791 4.320 0.001 0.000 0.251 258 K C 0.633 177.331 176.600 0.163 0.000 1.015 258 K CA -0.660 55.778 56.287 0.251 0.000 0.917 258 K CB 0.559 33.231 32.500 0.286 0.000 1.021 258 K HN 0.431 nan 8.250 nan 0.000 0.485 259 A N 0.788 123.730 122.820 0.203 0.000 2.567 259 A HA 0.289 4.610 4.320 0.001 0.000 0.240 259 A C 1.199 178.821 177.584 0.063 0.000 1.053 259 A CA 0.964 53.105 52.037 0.174 0.000 0.755 259 A CB -1.008 18.185 19.000 0.321 0.000 0.978 259 A HN 0.915 nan 8.150 nan 0.000 0.507 260 G N 0.732 109.555 108.800 0.039 0.000 2.176 260 G HA2 0.126 4.087 3.960 0.001 0.000 0.253 260 G HA3 0.126 4.087 3.960 0.001 0.000 0.253 260 G C 0.629 175.538 174.900 0.015 0.000 0.979 260 G CA 0.699 45.795 45.100 -0.007 0.000 0.641 260 G HN 2.158 nan 8.290 nan 0.000 0.530 261 A N -0.370 122.476 122.820 0.044 0.000 2.246 261 A HA 0.767 5.088 4.320 0.001 0.000 0.291 261 A C 0.837 178.448 177.584 0.046 0.000 1.103 261 A CA 0.246 52.314 52.037 0.051 0.000 0.844 261 A CB 0.752 19.798 19.000 0.077 0.000 1.136 261 A HN 1.170 nan 8.150 nan 0.000 0.500 262 V N 2.509 122.452 119.914 0.048 0.000 2.493 262 V HA -0.000 4.121 4.120 0.001 0.000 0.292 262 V C 0.369 176.503 176.094 0.066 0.000 1.016 262 V CA -0.039 62.290 62.300 0.048 0.000 1.097 262 V CB -0.449 31.404 31.823 0.050 0.000 0.947 262 V HN 0.773 nan 8.190 nan 0.000 0.479 263 N N 6.654 125.388 118.700 0.057 0.000 2.515 263 N HA 0.388 5.129 4.740 0.001 0.000 0.279 263 N C -2.338 173.250 175.510 0.129 0.000 1.164 263 N CA -1.551 51.553 53.050 0.090 0.000 0.982 263 N CB 0.907 39.421 38.487 0.045 0.000 1.170 263 N HN 0.386 nan 8.380 nan 0.000 0.474 264 P HA 0.010 nan 4.420 nan 0.000 0.267 264 P C -0.282 177.173 177.300 0.259 0.000 1.200 264 P CA 0.036 63.303 63.100 0.278 0.000 0.772 264 P CB 0.176 32.115 31.700 0.398 0.000 0.855 265 T N -1.192 113.493 114.554 0.218 0.000 2.936 265 T HA 0.609 4.959 4.350 0.001 0.000 0.282 265 T C -0.273 174.551 174.700 0.208 0.000 1.003 265 T CA -0.866 61.323 62.100 0.149 0.000 1.005 265 T CB 1.540 70.453 68.868 0.074 0.000 1.097 265 T HN 0.338 nan 8.240 nan 0.000 0.532 266 V N 0.320 120.330 119.914 0.159 0.000 2.808 266 V HA 0.684 4.805 4.120 0.001 0.000 0.308 266 V C -1.506 174.672 176.094 0.140 0.000 1.099 266 V CA -0.814 61.540 62.300 0.090 0.000 0.920 266 V CB 2.043 33.934 31.823 0.114 0.000 1.014 266 V HN 1.045 nan 8.190 nan 0.000 0.425 267 K N 4.528 124.949 120.400 0.035 0.000 2.350 267 K HA 0.645 4.965 4.320 0.001 0.000 0.241 267 K C -1.869 174.667 176.600 -0.106 0.000 0.994 267 K CA -0.601 55.669 56.287 -0.029 0.000 0.839 267 K CB 2.769 35.212 32.500 -0.097 0.000 1.244 267 K HN 0.536 nan 8.250 nan 0.000 0.443 268 F N 1.671 121.310 119.950 -0.519 0.000 2.529 268 F HA 0.529 5.057 4.527 0.001 0.000 0.320 268 F C -1.565 173.695 175.800 -0.900 0.000 1.118 268 F CA -0.724 56.965 58.000 -0.519 0.000 0.915 268 F CB 0.918 39.762 39.000 -0.260 0.000 1.161 268 F HN 0.365 nan 8.300 nan 0.000 0.445 269 F N 4.099 123.322 119.950 -1.211 0.000 2.588 269 F HA 0.770 5.298 4.527 0.001 0.000 0.314 269 F C -0.940 174.166 175.800 -1.157 0.000 1.069 269 F CA -1.234 56.136 58.000 -1.050 0.000 0.931 269 F CB 2.128 40.407 39.000 -1.202 0.000 1.260 269 F HN 0.111 nan 8.300 nan 0.000 0.465 270 V N 2.656 122.313 119.914 -0.428 0.000 2.577 270 V HA 0.564 4.684 4.120 0.001 0.000 0.303 270 V C -1.074 175.095 176.094 0.125 0.000 1.042 270 V CA -0.832 61.318 62.300 -0.250 0.000 0.872 270 V CB 1.835 33.317 31.823 -0.568 0.000 0.998 270 V HN 0.609 nan 8.190 nan 0.000 0.423 271 V N 4.140 124.192 119.914 0.230 0.000 2.628 271 V HA 0.575 4.696 4.120 0.001 0.000 0.306 271 V C -0.255 176.034 176.094 0.325 0.000 1.045 271 V CA -0.577 61.887 62.300 0.273 0.000 0.905 271 V CB 2.084 34.017 31.823 0.183 0.000 0.997 271 V HN 0.936 nan 8.190 nan 0.000 0.436 272 N N 3.475 122.344 118.700 0.281 0.000 2.406 272 N HA 0.144 4.884 4.740 0.001 0.000 0.251 272 N C 0.919 176.403 175.510 -0.043 0.000 1.069 272 N CA 0.575 53.653 53.050 0.048 0.000 0.947 272 N CB 1.564 40.065 38.487 0.024 0.000 1.111 272 N HN 0.880 nan 8.380 nan 0.000 0.497 273 T N -0.564 113.948 114.554 -0.069 0.000 3.129 273 T HA 0.106 4.457 4.350 0.001 0.000 0.251 273 T C 0.401 175.046 174.700 -0.092 0.000 1.117 273 T CA 0.266 62.340 62.100 -0.044 0.000 1.034 273 T CB 0.141 69.083 68.868 0.124 0.000 0.968 273 T HN 0.251 nan 8.240 nan 0.000 0.526 274 D N 1.797 122.115 120.400 -0.136 0.000 2.346 274 D HA 0.064 4.705 4.640 0.001 0.000 0.206 274 D C 1.613 177.848 176.300 -0.108 0.000 1.001 274 D CA 0.705 54.632 54.000 -0.122 0.000 0.871 274 D CB 0.300 41.013 40.800 -0.145 0.000 0.943 274 D HN 0.640 nan 8.370 nan 0.000 0.518 275 S N -0.035 115.601 115.700 -0.108 0.000 2.588 275 S HA 0.199 4.670 4.470 0.001 0.000 0.245 275 S C 0.416 174.956 174.600 -0.100 0.000 1.021 275 S CA -0.599 57.559 58.200 -0.070 0.000 1.006 275 S CB 0.155 63.344 63.200 -0.019 0.000 0.830 275 S HN -0.147 nan 8.310 nan 0.000 0.468 276 L N 2.402 123.496 121.223 -0.215 0.000 2.467 276 L HA 0.565 4.906 4.340 0.001 0.000 0.270 276 L C 0.539 177.254 176.870 -0.258 0.000 1.205 276 L CA 0.471 55.087 54.840 -0.373 0.000 0.828 276 L CB 1.133 42.649 42.059 -0.905 0.000 1.101 276 L HN 0.440 nan 8.230 nan 0.000 0.479 277 S N 0.044 115.684 115.700 -0.101 0.000 2.569 277 S HA 0.495 4.966 4.470 0.001 0.000 0.280 277 S C 0.599 175.368 174.600 0.282 0.000 1.111 277 S CA -0.356 57.903 58.200 0.099 0.000 0.887 277 S CB 1.729 64.970 63.200 0.069 0.000 1.095 277 S HN 0.569 nan 8.310 nan 0.000 0.476 278 S N 1.338 117.193 115.700 0.259 0.000 2.421 278 S HA 0.020 4.491 4.470 0.001 0.000 0.224 278 S C 1.717 176.402 174.600 0.142 0.000 1.035 278 S CA 0.842 59.170 58.200 0.215 0.000 0.953 278 S CB -0.097 63.191 63.200 0.148 0.000 0.810 278 S HN 0.582 nan 8.310 nan 0.000 0.497 279 V N 1.991 121.970 119.914 0.107 0.000 2.667 279 V HA 0.014 4.135 4.120 0.001 0.000 0.252 279 V C 1.174 177.304 176.094 0.061 0.000 1.065 279 V CA 1.247 63.589 62.300 0.071 0.000 1.083 279 V CB -1.068 30.787 31.823 0.053 0.000 0.692 279 V HN 0.642 nan 8.190 nan 0.000 0.468 280 T N -1.876 112.724 114.554 0.077 0.000 2.876 280 T HA 0.434 4.784 4.350 0.001 0.000 0.289 280 T C -0.487 174.267 174.700 0.089 0.000 1.014 280 T CA -0.822 61.312 62.100 0.057 0.000 0.986 280 T CB 1.786 70.680 68.868 0.043 0.000 1.021 280 T HN 0.046 nan 8.240 nan 0.000 0.458 281 N N 1.501 120.238 118.700 0.062 0.000 2.492 281 N HA 0.380 5.121 4.740 0.001 0.000 0.260 281 N C 0.244 175.821 175.510 0.112 0.000 1.215 281 N CA -0.090 53.030 53.050 0.118 0.000 0.923 281 N CB 0.812 39.307 38.487 0.013 0.000 1.092 281 N HN 0.996 nan 8.380 nan 0.000 0.448 282 A N 1.609 124.516 122.820 0.144 0.000 2.492 282 A HA 0.193 4.514 4.320 0.001 0.000 0.254 282 A C 0.662 178.299 177.584 0.089 0.000 1.091 282 A CA -0.320 51.770 52.037 0.089 0.000 0.768 282 A CB -0.418 18.616 19.000 0.056 0.000 1.028 282 A HN 0.623 nan 8.150 nan 0.000 0.498 283 T N 1.263 115.871 114.554 0.090 0.000 2.749 283 T HA 0.504 4.855 4.350 0.001 0.000 0.295 283 T C 0.126 174.911 174.700 0.142 0.000 0.936 283 T CA -0.378 61.785 62.100 0.104 0.000 1.060 283 T CB 0.508 69.440 68.868 0.106 0.000 0.904 283 T HN 0.390 nan 8.240 nan 0.000 0.500 284 S N 3.916 119.699 115.700 0.138 0.000 2.508 284 S HA 0.482 4.952 4.470 0.001 0.000 0.284 284 S C 0.242 174.999 174.600 0.261 0.000 1.192 284 S CA -0.915 57.398 58.200 0.188 0.000 1.070 284 S CB 0.334 63.611 63.200 0.128 0.000 1.004 284 S HN 0.646 nan 8.310 nan 0.000 0.493 285 I N 3.304 124.037 120.570 0.271 0.000 2.312 285 I HA 0.238 4.409 4.170 0.001 0.000 0.291 285 I C 0.660 176.871 176.117 0.157 0.000 1.031 285 I CA -0.194 61.267 61.300 0.269 0.000 1.293 285 I CB 0.645 38.894 38.000 0.415 0.000 1.403 285 I HN 0.664 nan 8.210 nan 0.000 0.484 286 Q N 6.076 125.944 119.800 0.113 0.000 2.313 286 Q HA 0.350 4.690 4.340 0.001 0.000 0.266 286 Q C -0.838 175.074 176.000 -0.147 0.000 0.989 286 Q CA -0.178 55.479 55.803 -0.244 0.000 0.890 286 Q CB 0.986 29.558 28.738 -0.277 0.000 1.200 286 Q HN 0.541 nan 8.270 nan 0.000 0.396 287 I N 4.229 124.688 120.570 -0.185 0.000 2.328 287 I HA 0.160 4.331 4.170 0.001 0.000 0.287 287 I C 0.412 176.497 176.117 -0.054 0.000 1.012 287 I CA -0.651 60.625 61.300 -0.039 0.000 1.195 287 I CB 1.359 39.386 38.000 0.044 0.000 1.350 287 I HN 0.635 nan 8.210 nan 0.000 0.464 288 T N 3.181 117.667 114.554 -0.113 0.000 2.913 288 T HA 0.561 4.912 4.350 0.001 0.000 0.297 288 T C 0.435 174.903 174.700 -0.387 0.000 1.029 288 T CA -0.879 61.092 62.100 -0.216 0.000 1.104 288 T CB 1.413 70.165 68.868 -0.193 0.000 0.964 288 T HN 0.605 nan 8.240 nan 0.000 0.532 289 A N 4.504 126.842 122.820 -0.803 0.000 2.483 289 A HA 0.503 4.824 4.320 0.001 0.000 0.238 289 A C -1.776 175.311 177.584 -0.829 0.000 1.070 289 A CA -1.348 49.787 52.037 -1.503 0.000 0.770 289 A CB -0.697 17.061 19.000 -2.068 0.000 1.008 289 A HN 0.803 nan 8.150 nan 0.000 0.497 290 P HA 0.157 nan 4.420 nan 0.000 0.270 290 P C 0.859 177.957 177.300 -0.337 0.000 1.223 290 P CA 0.551 63.422 63.100 -0.381 0.000 0.785 290 P CB 0.693 32.242 31.700 -0.251 0.000 0.923 291 A N 2.665 125.355 122.820 -0.218 0.000 1.927 291 A HA -0.250 4.071 4.320 0.001 0.000 0.220 291 A C 2.235 179.723 177.584 -0.160 0.000 1.185 291 A CA 2.783 54.717 52.037 -0.172 0.000 0.639 291 A CB -1.925 17.005 19.000 -0.117 0.000 0.820 291 A HN 0.684 nan 8.150 nan 0.000 0.451 292 S N -1.596 114.029 115.700 -0.125 0.000 2.469 292 S HA -0.078 4.393 4.470 0.001 0.000 0.238 292 S C 1.687 176.228 174.600 -0.097 0.000 0.998 292 S CA 1.589 59.742 58.200 -0.080 0.000 0.957 292 S CB -0.275 62.950 63.200 0.042 0.000 0.764 292 S HN 0.440 nan 8.310 nan 0.000 0.514 293 M N 0.386 119.864 119.600 -0.203 0.000 2.657 293 M HA 0.370 4.851 4.480 0.001 0.000 0.262 293 M C 1.853 177.940 176.300 -0.355 0.000 1.213 293 M CA 0.574 55.698 55.300 -0.293 0.000 1.182 293 M CB -0.809 31.465 32.600 -0.544 0.000 1.303 293 M HN 0.324 nan 8.290 nan 0.000 0.501 294 L N -0.059 120.941 121.223 -0.372 0.000 2.376 294 L HA -0.099 4.241 4.340 0.001 0.000 0.219 294 L C 2.323 179.149 176.870 -0.073 0.000 1.133 294 L CA 0.080 54.794 54.840 -0.209 0.000 0.816 294 L CB -0.538 41.387 42.059 -0.222 0.000 0.933 294 L HN 0.212 nan 8.230 nan 0.000 0.449 295 I N 0.266 120.785 120.570 -0.086 0.000 2.399 295 I HA -0.167 4.004 4.170 0.001 0.000 0.254 295 I C 1.119 177.223 176.117 -0.023 0.000 1.146 295 I CA 1.526 62.791 61.300 -0.057 0.000 1.412 295 I CB -0.744 37.209 38.000 -0.078 0.000 1.076 295 I HN 0.330 nan 8.210 nan 0.000 0.432 296 G N -1.010 107.800 108.800 0.016 0.000 2.664 296 G HA2 0.165 4.125 3.960 0.001 0.000 0.303 296 G HA3 0.165 4.125 3.960 0.001 0.000 0.303 296 G C -1.382 173.567 174.900 0.082 0.000 1.243 296 G CA -0.532 44.586 45.100 0.030 0.000 0.826 296 G HN 0.024 nan 8.290 nan 0.000 0.498 297 D N 1.647 122.038 120.400 -0.015 0.000 2.455 297 D HA 0.401 5.042 4.640 0.001 0.000 0.241 297 D C 0.338 176.570 176.300 -0.112 0.000 1.138 297 D CA 0.774 54.695 54.000 -0.130 0.000 0.877 297 D CB 0.317 41.021 40.800 -0.160 0.000 1.187 297 D HN 0.558 nan 8.370 nan 0.000 0.451 298 H N -0.522 118.417 119.070 -0.218 0.000 2.960 298 H HA 0.445 5.002 4.556 0.001 0.000 0.323 298 H C -1.371 173.824 175.328 -0.223 0.000 1.326 298 H CA -0.843 55.100 56.048 -0.176 0.000 1.124 298 H CB 0.424 30.202 29.762 0.026 0.000 1.853 298 H HN 0.273 nan 8.280 nan 0.000 0.536 299 Y N 0.154 120.707 120.300 0.422 0.000 2.536 299 Y HA 0.361 4.912 4.550 0.002 0.000 0.347 299 Y C -0.205 176.005 175.900 0.517 0.000 1.000 299 Y CA -1.166 57.189 58.100 0.425 0.000 1.051 299 Y CB 1.982 40.514 38.460 0.120 0.000 1.259 299 Y HN 0.485 nan 8.280 nan 0.000 0.468 300 L N 3.188 124.783 121.223 0.620 0.000 2.319 300 L HA 0.342 4.683 4.340 0.001 0.000 0.280 300 L C 0.496 177.414 176.870 0.079 0.000 1.099 300 L CA -0.084 54.739 54.840 -0.030 0.000 0.828 300 L CB 0.383 42.291 42.059 -0.252 0.000 1.150 300 L HN 1.003 nan 8.230 nan 0.000 0.442 301 C N 1.371 120.557 119.300 -0.189 0.000 3.580 301 C HA 0.501 4.962 4.460 0.001 0.000 0.337 301 C C 0.155 174.982 174.990 -0.272 0.000 1.412 301 C CA -0.373 58.470 59.018 -0.292 0.000 1.797 301 C CB -0.531 27.098 27.740 -0.185 0.000 2.470 301 C HN 0.847 nan 8.230 nan 0.000 0.691 302 D N 0.553 120.812 120.400 -0.234 0.000 2.927 302 D HA 0.475 5.115 4.640 0.001 0.000 0.219 302 D C -1.748 174.269 176.300 -0.472 0.000 1.248 302 D CA 0.137 54.017 54.000 -0.199 0.000 0.861 302 D CB 2.887 43.562 40.800 -0.209 0.000 1.677 302 D HN 0.093 nan 8.370 nan 0.000 0.511 303 V N 2.414 121.972 119.914 -0.594 0.000 2.531 303 V HA 0.579 4.700 4.120 0.001 0.000 0.301 303 V C -0.339 175.344 176.094 -0.684 0.000 1.034 303 V CA -0.423 61.276 62.300 -1.002 0.000 0.865 303 V CB 1.927 32.578 31.823 -1.954 0.000 0.995 303 V HN 0.632 nan 8.190 nan 0.000 0.424 304 T N 3.376 117.613 114.554 -0.527 0.000 3.031 304 T HA 0.334 4.685 4.350 0.001 0.000 0.305 304 T C -0.917 173.620 174.700 -0.273 0.000 0.985 304 T CA -0.459 61.498 62.100 -0.237 0.000 1.008 304 T CB 0.765 69.583 68.868 -0.083 0.000 1.005 304 T HN 0.537 nan 8.240 nan 0.000 0.444 305 W N 2.202 123.429 121.300 -0.122 0.000 2.253 305 W HA 0.465 5.126 4.660 0.001 0.000 0.322 305 W C 1.171 177.553 176.519 -0.228 0.000 1.342 305 W CA -0.355 56.912 57.345 -0.130 0.000 1.218 305 W CB 0.560 30.032 29.460 0.019 0.000 1.205 305 W HN 0.860 nan 8.180 nan 0.000 0.551 306 A N 2.208 124.885 122.820 -0.239 0.000 1.942 306 A HA 0.175 4.496 4.320 0.001 0.000 0.209 306 A C 0.960 178.494 177.584 -0.084 0.000 1.214 306 A CA 1.554 53.227 52.037 -0.607 0.000 0.686 306 A CB -0.313 17.851 19.000 -1.394 0.000 0.871 306 A HN 0.539 nan 8.150 nan 0.000 0.460 307 T N -5.681 108.925 114.554 0.087 0.000 2.647 307 T HA 0.335 4.686 4.350 0.001 0.000 0.295 307 T C 0.157 175.010 174.700 0.255 0.000 1.126 307 T CA -0.321 61.874 62.100 0.159 0.000 1.040 307 T CB 0.596 69.540 68.868 0.128 0.000 1.472 307 T HN -0.050 nan 8.240 nan 0.000 0.500 308 Q N 0.275 120.191 119.800 0.194 0.000 2.291 308 Q HA 0.050 4.391 4.340 0.001 0.000 0.206 308 Q C 0.912 177.143 176.000 0.384 0.000 0.976 308 Q CA 1.480 57.401 55.803 0.197 0.000 0.875 308 Q CB -0.113 28.715 28.738 0.150 0.000 0.927 308 Q HN 0.826 nan 8.270 nan 0.000 0.450 309 E N -0.358 120.077 120.200 0.391 0.000 2.846 309 E HA 0.179 4.530 4.350 0.001 0.000 0.211 309 E C -0.318 176.525 176.600 0.406 0.000 0.975 309 E CA -0.157 56.471 56.400 0.379 0.000 1.211 309 E CB 1.041 30.880 29.700 0.231 0.000 1.052 309 E HN -0.033 nan 8.360 nan 0.000 0.487 310 R N 1.570 122.335 120.500 0.440 0.000 2.514 310 R HA 0.500 4.841 4.340 0.001 0.000 0.296 310 R C -1.750 174.569 176.300 0.032 0.000 1.012 310 R CA -0.439 55.796 56.100 0.225 0.000 0.897 310 R CB 1.257 31.585 30.300 0.047 0.000 1.184 310 R HN 0.050 nan 8.270 nan 0.000 0.440 311 I N 3.254 123.682 120.570 -0.237 0.000 2.509 311 I HA 0.404 4.575 4.170 0.001 0.000 0.293 311 I C -0.795 175.009 176.117 -0.523 0.000 1.020 311 I CA -0.471 60.421 61.300 -0.681 0.000 1.088 311 I CB 2.105 39.278 38.000 -1.377 0.000 1.267 311 I HN 0.815 nan 8.210 nan 0.000 0.430 312 S N 7.843 123.218 115.700 -0.541 0.000 2.451 312 S HA 0.719 5.190 4.470 0.001 0.000 0.301 312 S C -0.959 173.329 174.600 -0.521 0.000 1.116 312 S CA -0.686 57.276 58.200 -0.395 0.000 1.093 312 S CB 1.145 64.237 63.200 -0.180 0.000 1.017 312 S HN 0.560 nan 8.310 nan 0.000 0.482 313 L N 2.732 123.657 121.223 -0.496 0.000 2.365 313 L HA 0.555 4.896 4.340 0.001 0.000 0.273 313 L C -0.180 176.382 176.870 -0.513 0.000 1.000 313 L CA -0.656 53.779 54.840 -0.673 0.000 0.819 313 L CB 2.063 43.635 42.059 -0.812 0.000 1.284 313 L HN 0.677 nan 8.230 nan 0.000 0.418 314 Q N 1.773 121.214 119.800 -0.598 0.000 2.333 314 Q HA 0.448 4.789 4.340 0.001 0.000 0.267 314 Q C -1.731 173.988 176.000 -0.467 0.000 1.012 314 Q CA -0.579 54.997 55.803 -0.379 0.000 0.824 314 Q CB 2.440 31.018 28.738 -0.266 0.000 1.290 314 Q HN 0.425 nan 8.270 nan 0.000 0.449 315 W N 2.315 123.558 121.300 -0.094 0.000 2.706 315 W HA 0.647 5.308 4.660 0.002 0.000 0.346 315 W C -0.800 175.742 176.519 0.037 0.000 1.071 315 W CA -0.549 56.791 57.345 -0.008 0.000 1.206 315 W CB 1.290 30.719 29.460 -0.052 0.000 1.413 315 W HN 0.307 nan 8.180 nan 0.000 0.542 316 L N 3.100 124.553 121.223 0.385 0.000 2.409 316 L HA 0.497 4.838 4.340 0.001 0.000 0.272 316 L C 0.261 177.341 176.870 0.350 0.000 0.980 316 L CA -1.082 53.944 54.840 0.310 0.000 0.826 316 L CB 1.347 43.576 42.059 0.282 0.000 1.268 316 L HN 0.453 nan 8.230 nan 0.000 0.407 317 R N 2.161 122.830 120.500 0.281 0.000 2.756 317 R HA 0.000 4.341 4.340 0.001 0.000 0.264 317 R C 1.031 177.425 176.300 0.157 0.000 1.026 317 R CA 0.011 56.232 56.100 0.202 0.000 1.121 317 R CB 0.678 31.085 30.300 0.179 0.000 0.999 317 R HN 0.614 nan 8.270 nan 0.000 0.449 318 R N 1.592 122.099 120.500 0.011 0.000 2.105 318 R HA -0.121 4.219 4.340 0.001 0.000 0.239 318 R C 0.243 176.606 176.300 0.106 0.000 1.135 318 R CA 1.297 57.390 56.100 -0.013 0.000 0.967 318 R CB -0.048 30.175 30.300 -0.128 0.000 0.861 318 R HN 0.411 nan 8.270 nan 0.000 0.442 319 I N 2.456 123.070 120.570 0.074 0.000 2.372 319 I HA -0.009 4.162 4.170 0.001 0.000 0.298 319 I C 0.357 176.539 176.117 0.108 0.000 1.137 319 I CA 0.601 61.944 61.300 0.072 0.000 1.314 319 I CB 1.141 39.169 38.000 0.046 0.000 1.444 319 I HN 0.110 nan 8.210 nan 0.000 0.541 320 Q N 4.612 124.472 119.800 0.099 0.000 2.292 320 Q HA 0.010 4.351 4.340 0.001 0.000 0.247 320 Q C 0.628 176.704 176.000 0.128 0.000 0.911 320 Q CA -0.016 55.858 55.803 0.118 0.000 0.948 320 Q CB -0.331 28.433 28.738 0.044 0.000 1.093 320 Q HN 0.698 nan 8.270 nan 0.000 0.428 321 N N -0.848 117.929 118.700 0.128 0.000 2.205 321 N HA -0.059 4.682 4.740 0.001 0.000 0.201 321 N C -0.909 174.700 175.510 0.165 0.000 1.128 321 N CA -0.128 52.986 53.050 0.107 0.000 0.867 321 N CB 0.328 38.855 38.487 0.066 0.000 0.996 321 N HN 0.198 nan 8.380 nan 0.000 0.503 322 Y N 1.309 121.633 120.300 0.040 0.000 2.332 322 Y HA 0.520 5.071 4.550 0.002 0.000 0.325 322 Y C -1.066 174.868 175.900 0.057 0.000 1.054 322 Y CA -0.941 57.182 58.100 0.037 0.000 1.119 322 Y CB 1.329 39.804 38.460 0.026 0.000 1.168 322 Y HN 0.149 nan 8.280 nan 0.000 0.439 323 S N 4.329 119.868 115.700 -0.267 0.000 2.570 323 S HA 0.917 5.388 4.470 0.001 0.000 0.286 323 S C -1.843 172.597 174.600 -0.266 0.000 1.099 323 S CA -0.722 57.392 58.200 -0.143 0.000 0.913 323 S CB 1.937 65.115 63.200 -0.036 0.000 1.085 323 S HN 0.411 nan 8.310 nan 0.000 0.480 324 V N 3.041 122.907 119.914 -0.080 0.000 2.656 324 V HA 0.535 4.656 4.120 0.001 0.000 0.307 324 V C -0.408 175.696 176.094 0.016 0.000 1.051 324 V CA -0.707 61.562 62.300 -0.053 0.000 0.893 324 V CB 1.854 33.679 31.823 0.004 0.000 0.999 324 V HN 1.030 nan 8.190 nan 0.000 0.426 325 M N 3.694 123.281 119.600 -0.022 0.000 2.129 325 M HA 0.478 4.959 4.480 0.001 0.000 0.348 325 M C -1.244 175.056 176.300 -0.000 0.000 1.116 325 M CA -0.351 54.917 55.300 -0.054 0.000 1.022 325 M CB 0.985 33.494 32.600 -0.152 0.000 1.599 325 M HN 0.600 nan 8.290 nan 0.000 0.449 326 D N 5.182 125.577 120.400 -0.008 0.000 2.193 326 D HA 0.430 5.071 4.640 0.001 0.000 0.244 326 D C -1.040 175.220 176.300 -0.066 0.000 1.064 326 D CA -0.072 53.923 54.000 -0.008 0.000 0.845 326 D CB 1.503 42.325 40.800 0.037 0.000 1.148 326 D HN 0.531 nan 8.370 nan 0.000 0.464 327 I N 2.794 123.352 120.570 -0.020 0.000 2.330 327 I HA 0.211 4.382 4.170 0.001 0.000 0.289 327 I C -0.509 175.600 176.117 -0.013 0.000 1.001 327 I CA -0.210 61.071 61.300 -0.031 0.000 1.193 327 I CB 1.000 39.034 38.000 0.058 0.000 1.345 327 I HN 0.262 nan 8.210 nan 0.000 0.461 328 c N 4.270 122.852 118.600 -0.030 0.000 2.369 328 c HA 0.561 5.132 4.570 0.001 0.000 0.322 328 c C -0.465 173.771 174.090 0.244 0.000 1.258 328 c CA -0.777 55.601 56.329 0.082 0.000 1.487 328 c CB 0.839 43.378 42.510 0.049 0.000 2.165 328 c HN 0.588 nan 8.230 nan 0.000 0.483 329 D N 0.682 121.210 120.400 0.214 0.000 2.256 329 D HA 0.292 4.933 4.640 0.001 0.000 0.246 329 D C -0.622 175.590 176.300 -0.146 0.000 1.042 329 D CA -0.219 53.849 54.000 0.113 0.000 0.841 329 D CB 0.857 41.669 40.800 0.021 0.000 1.223 329 D HN 0.547 nan 8.370 nan 0.000 0.470 330 Y N 2.018 121.859 120.300 -0.765 0.000 2.496 330 Y HA 0.097 4.648 4.550 0.001 0.000 0.334 330 Y C 0.073 175.649 175.900 -0.540 0.000 1.080 330 Y CA 0.212 57.551 58.100 -1.269 0.000 1.355 330 Y CB 0.506 38.113 38.460 -1.421 0.000 1.193 330 Y HN 0.211 nan 8.280 nan 0.000 0.523 331 D N 6.241 126.065 120.400 -0.960 0.000 2.443 331 D HA 0.075 4.716 4.640 0.001 0.000 0.221 331 D C 0.461 176.255 176.300 -0.843 0.000 1.097 331 D CA -0.053 53.561 54.000 -0.643 0.000 0.865 331 D CB 0.813 41.379 40.800 -0.390 0.000 1.034 331 D HN 0.834 nan 8.370 nan 0.000 0.511 332 E N 1.132 120.990 120.200 -0.570 0.000 2.130 332 E HA -0.219 4.132 4.350 0.001 0.000 0.196 332 E C 1.863 178.333 176.600 -0.216 0.000 0.998 332 E CA 1.561 57.768 56.400 -0.322 0.000 0.806 332 E CB 0.253 29.918 29.700 -0.057 0.000 0.738 332 E HN 0.510 nan 8.360 nan 0.000 0.459 333 S N 0.177 115.764 115.700 -0.188 0.000 2.414 333 S HA -0.094 4.377 4.470 0.001 0.000 0.227 333 S C 2.109 176.640 174.600 -0.115 0.000 1.022 333 S CA 1.078 59.210 58.200 -0.113 0.000 0.958 333 S CB -0.011 63.138 63.200 -0.085 0.000 0.797 333 S HN 0.244 nan 8.310 nan 0.000 0.493 334 S N 0.451 116.049 115.700 -0.170 0.000 2.486 334 S HA 0.434 4.905 4.470 0.001 0.000 0.220 334 S C 1.738 176.263 174.600 -0.125 0.000 1.011 334 S CA 0.541 58.665 58.200 -0.128 0.000 0.921 334 S CB -0.605 62.520 63.200 -0.124 0.000 0.785 334 S HN 1.430 nan 8.310 nan 0.000 0.517 335 G N 1.445 110.098 108.800 -0.245 0.000 2.155 335 G HA2 -0.274 3.687 3.960 0.001 0.000 0.257 335 G HA3 -0.274 3.687 3.960 0.001 0.000 0.257 335 G C 0.139 174.967 174.900 -0.120 0.000 0.983 335 G CA 0.396 45.402 45.100 -0.158 0.000 0.676 335 G HN 0.622 nan 8.290 nan 0.000 0.528 336 R N -1.838 118.497 120.500 -0.275 0.000 2.797 336 R HA 0.642 4.983 4.340 0.001 0.000 0.251 336 R C -0.886 175.246 176.300 -0.280 0.000 1.107 336 R CA -0.857 55.184 56.100 -0.099 0.000 1.084 336 R CB 0.867 31.148 30.300 -0.030 0.000 1.205 336 R HN 0.154 nan 8.270 nan 0.000 0.515 337 W N 0.973 122.268 121.300 -0.009 0.000 2.318 337 W HA 0.365 5.026 4.660 0.001 0.000 0.315 337 W C -0.569 175.925 176.519 -0.040 0.000 1.033 337 W CA -0.515 56.824 57.345 -0.011 0.000 1.275 337 W CB 1.042 30.506 29.460 0.006 0.000 1.250 337 W HN 0.210 nan 8.180 nan 0.000 0.421 338 N N 2.780 121.538 118.700 0.097 0.000 2.419 338 N HA 0.348 5.089 4.740 0.001 0.000 0.277 338 N C -1.199 174.346 175.510 0.059 0.000 1.006 338 N CA -0.392 52.685 53.050 0.045 0.000 0.923 338 N CB 1.382 39.857 38.487 -0.020 0.000 1.140 338 N HN 0.212 nan 8.380 nan 0.000 0.488 339 c N 3.418 122.039 118.600 0.036 0.000 2.250 339 c HA 0.333 4.904 4.570 0.001 0.000 0.319 339 c C 0.258 174.344 174.090 -0.007 0.000 1.124 339 c CA -1.115 55.224 56.329 0.016 0.000 1.527 339 c CB -0.840 41.671 42.510 0.002 0.000 2.001 339 c HN 0.444 nan 8.230 nan 0.000 0.435 340 L N 3.470 124.690 121.223 -0.005 0.000 2.462 340 L HA 0.058 4.399 4.340 0.001 0.000 0.272 340 L C 1.465 178.316 176.870 -0.031 0.000 1.166 340 L CA 0.557 55.387 54.840 -0.017 0.000 0.880 340 L CB 0.404 42.456 42.059 -0.011 0.000 1.142 340 L HN 0.585 nan 8.230 nan 0.000 0.473 341 V N 4.070 123.960 119.914 -0.040 0.000 2.568 341 V HA -0.260 3.860 4.120 0.001 0.000 0.253 341 V C 2.264 178.319 176.094 -0.065 0.000 1.072 341 V CA 1.720 63.989 62.300 -0.052 0.000 1.084 341 V CB -0.682 31.111 31.823 -0.050 0.000 0.676 341 V HN 0.962 nan 8.190 nan 0.000 0.469 342 A N 0.140 122.926 122.820 -0.057 0.000 2.119 342 A HA -0.085 4.235 4.320 0.001 0.000 0.217 342 A C 2.138 179.661 177.584 -0.101 0.000 1.153 342 A CA 0.818 52.814 52.037 -0.068 0.000 0.692 342 A CB -0.257 18.717 19.000 -0.043 0.000 0.799 342 A HN 0.557 nan 8.150 nan 0.000 0.458 343 R N -0.141 120.309 120.500 -0.083 0.000 2.359 343 R HA 0.143 4.484 4.340 0.001 0.000 0.231 343 R C -0.118 176.082 176.300 -0.166 0.000 0.913 343 R CA -0.125 55.927 56.100 -0.080 0.000 1.075 343 R CB 0.049 30.371 30.300 0.036 0.000 1.087 343 R HN 0.579 nan 8.270 nan 0.000 0.515 344 Q N 1.241 120.928 119.800 -0.189 0.000 2.332 344 Q HA 0.095 4.435 4.340 0.001 0.000 0.263 344 Q C -0.559 175.243 176.000 -0.329 0.000 0.979 344 Q CA 0.430 56.139 55.803 -0.158 0.000 0.885 344 Q CB 0.814 29.496 28.738 -0.094 0.000 1.218 344 Q HN 0.201 nan 8.270 nan 0.000 0.405 345 H N 2.999 122.045 119.070 -0.039 0.000 2.589 345 H HA 0.360 4.917 4.556 0.002 0.000 0.335 345 H C -0.622 174.648 175.328 -0.096 0.000 1.019 345 H CA -0.512 55.509 56.048 -0.045 0.000 1.213 345 H CB 0.954 30.681 29.762 -0.058 0.000 1.472 345 H HN 0.492 nan 8.280 nan 0.000 0.508 346 I N 2.419 122.983 120.570 -0.009 0.000 2.331 346 I HA 0.128 4.299 4.170 0.001 0.000 0.292 346 I C 0.443 176.498 176.117 -0.104 0.000 0.998 346 I CA -0.092 61.122 61.300 -0.144 0.000 1.267 346 I CB 1.293 39.188 38.000 -0.176 0.000 1.386 346 I HN 0.456 nan 8.210 nan 0.000 0.476 347 E N 8.661 128.758 120.200 -0.171 0.000 2.185 347 E HA 0.542 4.893 4.350 0.001 0.000 0.261 347 E C -1.086 175.422 176.600 -0.154 0.000 0.879 347 E CA -0.702 55.638 56.400 -0.100 0.000 0.756 347 E CB 1.274 30.940 29.700 -0.057 0.000 1.152 347 E HN 0.654 nan 8.360 nan 0.000 0.416 348 M N 1.418 120.964 119.600 -0.090 0.000 2.755 348 M HA 0.668 5.149 4.480 0.001 0.000 0.298 348 M C -1.007 175.294 176.300 0.002 0.000 1.251 348 M CA -0.870 54.407 55.300 -0.039 0.000 0.817 348 M CB 2.307 34.927 32.600 0.034 0.000 1.760 348 M HN 0.236 nan 8.290 nan 0.000 0.473 349 S N -0.908 114.799 115.700 0.012 0.000 2.541 349 S HA 0.600 5.071 4.470 0.001 0.000 0.280 349 S C 0.093 174.682 174.600 -0.019 0.000 1.112 349 S CA -0.092 58.096 58.200 -0.020 0.000 0.925 349 S CB 1.886 65.034 63.200 -0.087 0.000 1.067 349 S HN 0.890 nan 8.310 nan 0.000 0.479 350 T N -0.348 114.193 114.554 -0.022 0.000 3.014 350 T HA 0.093 4.444 4.350 0.001 0.000 0.250 350 T C 1.434 176.106 174.700 -0.046 0.000 1.060 350 T CA 0.793 62.882 62.100 -0.019 0.000 1.040 350 T CB -0.261 68.606 68.868 -0.002 0.000 0.971 350 T HN 0.683 nan 8.240 nan 0.000 0.497 351 T N -1.795 112.715 114.554 -0.074 0.000 2.990 351 T HA 0.608 4.959 4.350 0.001 0.000 0.250 351 T C 1.061 175.553 174.700 -0.348 0.000 1.041 351 T CA 0.321 62.373 62.100 -0.081 0.000 1.010 351 T CB 0.557 69.466 68.868 0.068 0.000 1.003 351 T HN 0.574 nan 8.240 nan 0.000 0.499 352 G N 0.405 108.807 108.800 -0.664 0.000 2.694 352 G HA2 0.498 4.459 3.960 0.001 0.000 0.246 352 G HA3 0.498 4.459 3.960 0.001 0.000 0.246 352 G C -1.651 172.957 174.900 -0.486 0.000 1.205 352 G CA -0.672 43.797 45.100 -1.050 0.000 0.891 352 G HN 0.470 nan 8.290 nan 0.000 0.515 353 W N -0.482 120.552 121.300 -0.443 0.000 2.225 353 W HA 0.762 5.423 4.660 0.001 0.000 0.377 353 W C -0.107 176.361 176.519 -0.085 0.000 1.418 353 W CA -1.279 55.944 57.345 -0.205 0.000 1.562 353 W CB 0.839 30.166 29.460 -0.222 0.000 1.297 353 W HN 0.438 nan 8.180 nan 0.000 0.686 354 V N 2.758 122.741 119.914 0.115 0.000 2.427 354 V HA 0.799 4.920 4.120 0.001 0.000 0.286 354 V C 0.368 176.532 176.094 0.117 0.000 1.034 354 V CA 0.475 62.795 62.300 0.034 0.000 0.893 354 V CB 0.321 32.157 31.823 0.022 0.000 0.982 354 V HN 1.689 nan 8.190 nan 0.000 0.452 355 G N 6.198 115.023 108.800 0.042 0.000 2.757 355 G HA2 -0.177 3.784 3.960 0.001 0.000 0.638 355 G HA3 -0.177 3.784 3.960 0.001 0.000 0.638 355 G C 0.195 175.176 174.900 0.135 0.000 1.344 355 G CA 0.203 45.360 45.100 0.095 0.000 0.855 355 G HN 0.866 nan 8.290 nan 0.000 0.537 356 R N -0.986 119.606 120.500 0.153 0.000 2.055 356 R HA 0.204 4.544 4.340 0.001 0.000 0.226 356 R C 1.942 178.246 176.300 0.007 0.000 1.135 356 R CA 2.041 58.199 56.100 0.097 0.000 0.959 356 R CB -0.064 30.317 30.300 0.134 0.000 0.854 356 R HN 0.464 nan 8.270 nan 0.000 0.431 357 F N -0.789 119.308 119.950 0.246 0.000 2.834 357 F HA 0.258 4.785 4.527 0.001 0.000 0.332 357 F C 0.227 176.058 175.800 0.053 0.000 1.056 357 F CA -0.500 57.588 58.000 0.146 0.000 1.178 357 F CB 0.815 39.895 39.000 0.133 0.000 1.037 357 F HN -0.125 nan 8.300 nan 0.000 0.580 358 R N -1.071 119.567 120.500 0.229 0.000 2.709 358 R HA 0.407 4.747 4.340 0.001 0.000 0.270 358 R C -3.350 173.004 176.300 0.089 0.000 1.038 358 R CA -1.911 54.245 56.100 0.093 0.000 0.872 358 R CB 0.218 30.513 30.300 -0.009 0.000 1.259 358 R HN -0.364 nan 8.270 nan 0.000 0.473 359 P HA -0.088 nan 4.420 nan 0.000 0.263 359 P C -0.237 177.076 177.300 0.022 0.000 1.168 359 P CA 0.380 63.489 63.100 0.016 0.000 0.759 359 P CB 0.562 32.242 31.700 -0.033 0.000 0.782 360 S N 1.779 117.505 115.700 0.044 0.000 2.614 360 S HA 0.226 4.697 4.470 0.001 0.000 0.265 360 S C 0.174 174.785 174.600 0.019 0.000 1.303 360 S CA -0.762 57.481 58.200 0.071 0.000 1.000 360 S CB 0.498 63.770 63.200 0.120 0.000 0.935 360 S HN 0.504 nan 8.310 nan 0.000 0.551 361 E N 1.239 121.461 120.200 0.038 0.000 2.354 361 E HA 0.333 4.684 4.350 0.001 0.000 0.269 361 E C -2.731 173.830 176.600 -0.065 0.000 1.036 361 E CA -2.323 54.046 56.400 -0.052 0.000 0.876 361 E CB -0.095 29.571 29.700 -0.056 0.000 1.009 361 E HN 0.421 nan 8.360 nan 0.000 0.416 362 P HA 0.169 nan 4.420 nan 0.000 0.274 362 P C -0.648 176.504 177.300 -0.247 0.000 1.231 362 P CA -0.098 62.843 63.100 -0.265 0.000 0.790 362 P CB 0.556 31.716 31.700 -0.900 0.000 0.951 363 H N 1.912 120.997 119.070 0.025 0.000 2.762 363 H HA 0.296 4.853 4.556 0.002 0.000 0.310 363 H C -0.348 175.100 175.328 0.201 0.000 1.004 363 H CA -0.344 55.806 56.048 0.171 0.000 1.267 363 H CB 0.322 30.212 29.762 0.214 0.000 1.437 363 H HN 0.313 nan 8.280 nan 0.000 0.498 364 F N 1.969 122.096 119.950 0.296 0.000 2.384 364 F HA 0.058 4.586 4.527 0.001 0.000 0.338 364 F C 1.572 177.551 175.800 0.298 0.000 1.103 364 F CA -0.503 57.664 58.000 0.277 0.000 1.157 364 F CB 1.106 40.201 39.000 0.158 0.000 1.167 364 F HN 0.396 nan 8.300 nan 0.000 0.529 365 T N 1.008 115.845 114.554 0.471 0.000 2.802 365 T HA 0.054 4.405 4.350 0.001 0.000 0.305 365 T C 1.354 176.241 174.700 0.312 0.000 1.053 365 T CA -0.668 61.659 62.100 0.379 0.000 1.058 365 T CB 0.655 69.728 68.868 0.342 0.000 0.988 365 T HN 0.744 nan 8.240 nan 0.000 0.539 366 L N 0.934 122.300 121.223 0.238 0.000 2.051 366 L HA -0.195 4.145 4.340 0.001 0.000 0.214 366 L C 2.310 179.283 176.870 0.173 0.000 1.076 366 L CA 2.487 57.439 54.840 0.187 0.000 0.758 366 L CB -0.575 41.572 42.059 0.147 0.000 0.890 366 L HN 0.971 nan 8.230 nan 0.000 0.433 367 D N -1.090 119.413 120.400 0.172 0.000 2.363 367 D HA -0.010 4.631 4.640 0.001 0.000 0.220 367 D C 1.533 177.930 176.300 0.161 0.000 0.994 367 D CA 0.836 54.924 54.000 0.148 0.000 0.890 367 D CB -0.345 40.534 40.800 0.131 0.000 0.906 367 D HN 0.433 nan 8.370 nan 0.000 0.530 368 G N 0.601 109.533 108.800 0.219 0.000 2.155 368 G HA2 -0.349 3.612 3.960 0.001 0.000 0.257 368 G HA3 -0.349 3.612 3.960 0.001 0.000 0.257 368 G C 0.875 175.949 174.900 0.290 0.000 0.983 368 G CA 0.417 45.662 45.100 0.241 0.000 0.676 368 G HN 0.373 nan 8.290 nan 0.000 0.528 369 N N 0.038 118.885 118.700 0.246 0.000 2.353 369 N HA 0.233 4.974 4.740 0.001 0.000 0.185 369 N C 0.580 176.190 175.510 0.167 0.000 1.098 369 N CA 0.994 54.161 53.050 0.195 0.000 0.872 369 N CB 0.470 39.038 38.487 0.134 0.000 0.970 369 N HN 0.439 nan 8.380 nan 0.000 0.467 370 S N -0.451 115.358 115.700 0.182 0.000 2.607 370 S HA 0.722 5.193 4.470 0.001 0.000 0.273 370 S C -1.164 173.424 174.600 -0.020 0.000 1.148 370 S CA -0.842 57.294 58.200 -0.105 0.000 0.833 370 S CB 1.802 64.842 63.200 -0.267 0.000 1.130 370 S HN 0.215 nan 8.310 nan 0.000 0.470 371 F N -0.907 118.707 119.950 -0.559 0.000 2.668 371 F HA 0.782 5.310 4.527 0.001 0.000 0.309 371 F C -2.150 173.363 175.800 -0.478 0.000 1.117 371 F CA -1.318 56.345 58.000 -0.563 0.000 0.951 371 F CB 0.733 39.032 39.000 -1.169 0.000 1.323 371 F HN 0.497 nan 8.300 nan 0.000 0.451 372 Y N 1.325 121.684 120.300 0.099 0.000 2.377 372 Y HA 0.673 5.224 4.550 0.002 0.000 0.339 372 Y C -0.551 175.489 175.900 0.234 0.000 1.011 372 Y CA -0.795 57.389 58.100 0.140 0.000 1.093 372 Y CB 2.160 40.707 38.460 0.146 0.000 1.201 372 Y HN 0.703 nan 8.280 nan 0.000 0.455 373 K N 1.253 121.875 120.400 0.370 0.000 2.546 373 K HA 0.606 4.927 4.320 0.001 0.000 0.264 373 K C -1.756 174.998 176.600 0.256 0.000 0.937 373 K CA -0.782 55.689 56.287 0.306 0.000 0.833 373 K CB 1.565 34.191 32.500 0.210 0.000 1.378 373 K HN 0.541 nan 8.250 nan 0.000 0.432 374 I N 3.573 124.264 120.570 0.202 0.000 2.533 374 I HA 0.220 4.390 4.170 0.001 0.000 0.284 374 I C 0.131 176.349 176.117 0.168 0.000 1.109 374 I CA -0.129 61.270 61.300 0.165 0.000 1.412 374 I CB -0.053 38.020 38.000 0.121 0.000 1.396 374 I HN 0.623 nan 8.210 nan 0.000 0.543 375 I N 2.255 122.955 120.570 0.217 0.000 2.994 375 I HA 0.548 4.719 4.170 0.001 0.000 0.306 375 I C -0.109 176.125 176.117 0.195 0.000 1.195 375 I CA -0.856 60.562 61.300 0.197 0.000 1.001 375 I CB 2.237 40.380 38.000 0.238 0.000 1.244 375 I HN 0.486 nan 8.210 nan 0.000 0.437 376 S N 2.294 118.042 115.700 0.080 0.000 2.548 376 S HA 0.332 4.803 4.470 0.001 0.000 0.277 376 S C -0.036 174.588 174.600 0.040 0.000 1.315 376 S CA -0.720 57.470 58.200 -0.016 0.000 1.050 376 S CB 0.362 63.481 63.200 -0.136 0.000 0.918 376 S HN 0.817 nan 8.310 nan 0.000 0.497 377 N N 1.628 120.237 118.700 -0.152 0.000 2.328 377 N HA 0.045 4.786 4.740 0.001 0.000 0.277 377 N C 1.189 176.617 175.510 -0.138 0.000 1.286 377 N CA -0.319 52.531 53.050 -0.333 0.000 0.949 377 N CB -0.036 37.903 38.487 -0.914 0.000 1.136 377 N HN 0.758 nan 8.380 nan 0.000 0.550 378 E N -0.492 119.631 120.200 -0.129 0.000 2.209 378 E HA -0.252 4.099 4.350 0.001 0.000 0.196 378 E C 0.477 177.031 176.600 -0.077 0.000 0.993 378 E CA 1.449 57.809 56.400 -0.067 0.000 0.819 378 E CB -0.334 29.335 29.700 -0.051 0.000 0.745 378 E HN 0.773 nan 8.360 nan 0.000 0.477 379 E N -0.131 120.016 120.200 -0.089 0.000 2.479 379 E HA 0.099 4.450 4.350 0.001 0.000 0.193 379 E C 0.544 177.098 176.600 -0.076 0.000 1.049 379 E CA 0.431 56.814 56.400 -0.028 0.000 0.870 379 E CB 0.118 29.847 29.700 0.048 0.000 0.944 379 E HN 0.543 nan 8.360 nan 0.000 0.492 380 G N 1.041 109.748 108.800 -0.156 0.000 2.143 380 G HA2 -0.283 3.678 3.960 0.001 0.000 0.249 380 G HA3 -0.283 3.678 3.960 0.001 0.000 0.249 380 G C -0.273 174.356 174.900 -0.450 0.000 0.981 380 G CA 0.113 45.027 45.100 -0.311 0.000 0.665 380 G HN 0.222 nan 8.290 nan 0.000 0.528 381 Y N 0.251 120.412 120.300 -0.231 0.000 2.323 381 Y HA 0.629 5.180 4.550 0.002 0.000 0.331 381 Y C 1.209 176.938 175.900 -0.285 0.000 1.092 381 Y CA -0.844 57.102 58.100 -0.256 0.000 1.150 381 Y CB 0.974 39.296 38.460 -0.230 0.000 1.200 381 Y HN 0.072 nan 8.280 nan 0.000 0.472 382 R N 3.698 124.060 120.500 -0.231 0.000 2.248 382 R HA 0.273 4.614 4.340 0.001 0.000 0.328 382 R C -0.836 175.153 176.300 -0.519 0.000 1.067 382 R CA -0.055 55.903 56.100 -0.236 0.000 0.924 382 R CB 0.114 30.331 30.300 -0.140 0.000 1.013 382 R HN 0.662 nan 8.270 nan 0.000 0.454 383 H N 1.805 120.829 119.070 -0.076 0.000 2.985 383 H HA 0.304 4.860 4.556 0.001 0.000 0.360 383 H C -0.230 175.177 175.328 0.132 0.000 1.221 383 H CA -0.920 55.065 56.048 -0.104 0.000 1.121 383 H CB 1.614 31.176 29.762 -0.334 0.000 1.854 383 H HN 0.337 nan 8.280 nan 0.000 0.551 384 I N 1.444 122.124 120.570 0.182 0.000 2.452 384 I HA 0.022 4.193 4.170 0.001 0.000 0.287 384 I C 0.430 176.640 176.117 0.155 0.000 1.079 384 I CA 0.254 61.640 61.300 0.143 0.000 1.387 384 I CB 0.193 38.203 38.000 0.018 0.000 1.404 384 I HN 0.145 nan 8.210 nan 0.000 0.522 385 c N 7.075 125.676 118.600 0.002 0.000 2.411 385 c HA 0.423 4.994 4.570 0.001 0.000 0.330 385 c C -0.394 173.469 174.090 -0.378 0.000 1.224 385 c CA -0.619 55.423 56.329 -0.478 0.000 1.770 385 c CB 0.892 42.772 42.510 -1.051 0.000 2.297 385 c HN 0.691 nan 8.230 nan 0.000 0.507 386 Y N 4.363 124.226 120.300 -0.727 0.000 2.328 386 Y HA 0.663 5.214 4.550 0.002 0.000 0.337 386 Y C -0.984 174.343 175.900 -0.956 0.000 1.008 386 Y CA -0.372 57.260 58.100 -0.781 0.000 1.129 386 Y CB 0.480 38.539 38.460 -0.667 0.000 1.185 386 Y HN 0.658 nan 8.280 nan 0.000 0.476 387 F N 3.706 122.755 119.950 -1.501 0.000 2.522 387 F HA 0.468 4.996 4.527 0.001 0.000 0.324 387 F C -0.308 174.687 175.800 -1.343 0.000 1.077 387 F CA -0.967 56.220 58.000 -1.356 0.000 0.944 387 F CB 1.845 39.740 39.000 -1.840 0.000 1.175 387 F HN 0.352 nan 8.300 nan 0.000 0.468 388 Q N 1.846 121.315 119.800 -0.551 0.000 2.256 388 Q HA 0.299 4.640 4.340 0.001 0.000 0.257 388 Q C 0.631 176.627 176.000 -0.007 0.000 0.936 388 Q CA -0.720 54.908 55.803 -0.292 0.000 0.903 388 Q CB 2.342 30.993 28.738 -0.145 0.000 1.263 388 Q HN 0.642 nan 8.270 nan 0.000 0.440 389 I N 1.648 122.290 120.570 0.120 0.000 2.194 389 I HA -0.305 3.866 4.170 0.001 0.000 0.246 389 I C 1.186 177.461 176.117 0.265 0.000 1.093 389 I CA 1.753 63.249 61.300 0.326 0.000 1.355 389 I CB -0.025 38.140 38.000 0.276 0.000 1.046 389 I HN 0.666 nan 8.210 nan 0.000 0.413 390 D N -0.029 120.449 120.400 0.130 0.000 2.355 390 D HA 0.016 4.656 4.640 0.001 0.000 0.218 390 D C 0.390 176.711 176.300 0.036 0.000 1.004 390 D CA 0.647 54.686 54.000 0.064 0.000 0.880 390 D CB 0.178 41.003 40.800 0.042 0.000 0.911 390 D HN 0.124 nan 8.370 nan 0.000 0.528 391 K N -0.099 120.344 120.400 0.072 0.000 2.328 391 K HA 0.251 4.572 4.320 0.001 0.000 0.246 391 K C 0.828 177.475 176.600 0.078 0.000 0.955 391 K CA -0.580 55.729 56.287 0.037 0.000 0.817 391 K CB 2.491 34.991 32.500 -0.001 0.000 1.208 391 K HN -0.225 nan 8.250 nan 0.000 0.432 392 K N 0.771 121.183 120.400 0.019 0.000 2.044 392 K HA -0.007 4.314 4.320 0.001 0.000 0.204 392 K C -0.395 176.232 176.600 0.046 0.000 1.045 392 K CA 1.020 57.327 56.287 0.033 0.000 0.951 392 K CB 0.253 32.748 32.500 -0.008 0.000 0.738 392 K HN 0.512 nan 8.250 nan 0.000 0.443 393 D N 1.662 122.040 120.400 -0.038 0.000 2.264 393 D HA 0.064 4.704 4.640 0.001 0.000 0.250 393 D C 0.182 176.319 176.300 -0.271 0.000 1.113 393 D CA -0.179 53.748 54.000 -0.122 0.000 0.871 393 D CB 1.202 41.942 40.800 -0.101 0.000 1.167 393 D HN 0.328 nan 8.370 nan 0.000 0.447 394 c N 0.805 119.095 118.600 -0.515 0.000 2.345 394 c HA 0.815 5.386 4.570 0.001 0.000 0.369 394 c C 0.613 174.329 174.090 -0.623 0.000 1.273 394 c CA -0.739 55.065 56.329 -0.876 0.000 2.310 394 c CB 0.950 42.275 42.510 -1.974 0.000 2.219 394 c HN 0.642 nan 8.230 nan 0.000 0.587 395 T N -0.243 113.967 114.554 -0.574 0.000 2.792 395 T HA 0.586 4.937 4.350 0.001 0.000 0.280 395 T C -0.882 173.525 174.700 -0.488 0.000 0.990 395 T CA -0.278 61.581 62.100 -0.402 0.000 0.960 395 T CB 0.304 69.031 68.868 -0.235 0.000 0.939 395 T HN 0.522 nan 8.240 nan 0.000 0.439 396 F N 3.884 123.647 119.950 -0.311 0.000 2.484 396 F HA 0.359 4.887 4.527 0.001 0.000 0.360 396 F C 1.515 177.062 175.800 -0.422 0.000 1.101 396 F CA -0.933 56.886 58.000 -0.302 0.000 1.251 396 F CB 0.822 39.678 39.000 -0.240 0.000 1.132 396 F HN 0.682 nan 8.300 nan 0.000 0.570 397 I N -1.229 119.224 120.570 -0.195 0.000 4.227 397 I HA 0.264 4.435 4.170 0.001 0.000 0.334 397 I C 0.143 176.219 176.117 -0.070 0.000 1.341 397 I CA -0.054 60.967 61.300 -0.465 0.000 1.123 397 I CB 0.210 37.882 38.000 -0.547 0.000 1.097 397 I HN 0.467 nan 8.210 nan 0.000 0.399 398 T N 0.193 114.714 114.554 -0.055 0.000 2.916 398 T HA 0.734 5.085 4.350 0.001 0.000 0.292 398 T C -0.640 173.722 174.700 -0.563 0.000 1.055 398 T CA -0.638 61.396 62.100 -0.109 0.000 1.009 398 T CB 2.681 71.556 68.868 0.011 0.000 1.118 398 T HN 0.461 nan 8.240 nan 0.000 0.497 399 K N -0.239 119.647 120.400 -0.857 0.000 2.579 399 K HA 0.796 5.117 4.320 0.001 0.000 0.284 399 K C -0.425 175.485 176.600 -1.150 0.000 0.990 399 K CA -0.977 54.516 56.287 -1.322 0.000 0.880 399 K CB 1.437 33.559 32.500 -0.629 0.000 1.488 399 K HN 1.548 nan 8.250 nan 0.000 0.425 400 G N -0.037 108.144 108.800 -1.032 0.000 2.347 400 G HA2 0.053 4.014 3.960 0.001 0.000 0.477 400 G HA3 0.053 4.014 3.960 0.001 0.000 0.477 400 G C -0.782 173.527 174.900 -0.985 0.000 1.349 400 G CA -0.397 44.261 45.100 -0.737 0.000 1.000 400 G HN 1.014 nan 8.290 nan 0.000 0.605 401 T N -0.385 113.718 114.554 -0.751 0.000 3.945 401 T HA 0.574 4.925 4.350 0.001 0.000 0.306 401 T C 0.145 174.621 174.700 -0.373 0.000 1.475 401 T CA 0.597 62.035 62.100 -1.103 0.000 1.177 401 T CB -0.935 67.595 68.868 -0.563 0.000 1.272 401 T HN 1.694 nan 8.240 nan 0.000 0.930 402 W N -0.186 120.915 121.300 -0.331 0.000 2.986 402 W HA 0.535 5.196 4.660 0.002 0.000 0.345 402 W C -1.622 174.891 176.519 -0.009 0.000 1.191 402 W CA -0.883 56.438 57.345 -0.040 0.000 1.170 402 W CB 0.506 29.934 29.460 -0.053 0.000 1.438 402 W HN 0.215 nan 8.180 nan 0.000 0.567 403 E N 1.023 121.377 120.200 0.258 0.000 2.256 403 E HA 0.448 4.799 4.350 0.001 0.000 0.267 403 E C -0.836 175.855 176.600 0.151 0.000 0.892 403 E CA -1.217 55.143 56.400 -0.066 0.000 0.775 403 E CB 3.384 33.109 29.700 0.042 0.000 1.207 403 E HN 0.180 nan 8.360 nan 0.000 0.420 404 V N 3.887 123.739 119.914 -0.104 0.000 2.521 404 V HA -0.039 4.082 4.120 0.001 0.000 0.286 404 V C 1.289 177.465 176.094 0.136 0.000 1.034 404 V CA 0.172 62.531 62.300 0.099 0.000 1.045 404 V CB 0.349 32.128 31.823 -0.073 0.000 0.974 404 V HN 0.678 nan 8.190 nan 0.000 0.480 405 I N 3.225 123.916 120.570 0.201 0.000 2.429 405 I HA 0.264 4.435 4.170 0.001 0.000 0.247 405 I C 1.120 177.358 176.117 0.201 0.000 1.099 405 I CA 1.189 62.603 61.300 0.190 0.000 1.422 405 I CB -0.767 37.288 38.000 0.091 0.000 1.112 405 I HN 0.741 nan 8.210 nan 0.000 0.430 406 G N 0.772 109.695 108.800 0.206 0.000 2.732 406 G HA2 0.540 4.501 3.960 0.001 0.000 0.296 406 G HA3 0.540 4.501 3.960 0.001 0.000 0.296 406 G C -1.127 173.884 174.900 0.184 0.000 1.448 406 G CA -0.553 44.666 45.100 0.199 0.000 0.911 406 G HN -0.030 nan 8.290 nan 0.000 0.528 407 I N 1.726 122.347 120.570 0.085 0.000 2.471 407 I HA 0.196 4.367 4.170 0.001 0.000 0.286 407 I C 0.795 176.861 176.117 -0.084 0.000 1.079 407 I CA -0.341 60.899 61.300 -0.099 0.000 1.398 407 I CB 1.444 39.130 38.000 -0.523 0.000 1.403 407 I HN 0.507 nan 8.210 nan 0.000 0.530 408 E N 4.839 125.053 120.200 0.023 0.000 2.256 408 E HA 0.328 4.678 4.350 0.001 0.000 0.198 408 E C 0.115 176.715 176.600 0.000 0.000 0.908 408 E CA 0.288 56.762 56.400 0.123 0.000 0.915 408 E CB 0.707 30.569 29.700 0.271 0.000 0.890 408 E HN 0.668 nan 8.360 nan 0.000 0.484 409 A N 0.859 123.573 122.820 -0.176 0.000 2.547 409 A HA 0.625 4.946 4.320 0.001 0.000 0.297 409 A C -1.543 175.980 177.584 -0.101 0.000 1.056 409 A CA -0.559 51.300 52.037 -0.296 0.000 0.688 409 A CB 1.343 19.702 19.000 -1.068 0.000 1.282 409 A HN 0.100 nan 8.150 nan 0.000 0.400 410 L N 2.818 124.026 121.223 -0.026 0.000 2.349 410 L HA 0.658 4.999 4.340 0.001 0.000 0.278 410 L C 0.451 177.356 176.870 0.059 0.000 0.996 410 L CA -0.208 54.644 54.840 0.019 0.000 0.825 410 L CB 1.998 44.106 42.059 0.082 0.000 1.243 410 L HN 1.119 nan 8.230 nan 0.000 0.412 411 T N -0.844 113.760 114.554 0.082 0.000 2.819 411 T HA 0.247 4.598 4.350 0.001 0.000 0.271 411 T C 1.186 175.932 174.700 0.077 0.000 0.986 411 T CA 0.122 62.280 62.100 0.097 0.000 0.989 411 T CB 1.332 70.292 68.868 0.154 0.000 1.396 411 T HN 0.563 nan 8.240 nan 0.000 0.597 412 S N -0.811 114.929 115.700 0.067 0.000 2.461 412 S HA 0.017 4.488 4.470 0.001 0.000 0.228 412 S C 0.769 175.351 174.600 -0.030 0.000 1.005 412 S CA 0.909 59.135 58.200 0.042 0.000 0.942 412 S CB -0.574 62.654 63.200 0.046 0.000 0.776 412 S HN 0.726 nan 8.310 nan 0.000 0.514 413 D N -0.880 119.478 120.400 -0.071 0.000 2.422 413 D HA 0.288 4.929 4.640 0.001 0.000 0.218 413 D C -0.694 175.235 176.300 -0.618 0.000 1.047 413 D CA 0.415 54.224 54.000 -0.318 0.000 0.885 413 D CB 0.393 41.012 40.800 -0.301 0.000 1.035 413 D HN 0.442 nan 8.370 nan 0.000 0.502 414 Y N 0.176 120.413 120.300 -0.104 0.000 2.470 414 Y HA 0.364 4.915 4.550 0.001 0.000 0.341 414 Y C -1.061 174.660 175.900 -0.298 0.000 1.021 414 Y CA -1.337 56.599 58.100 -0.274 0.000 1.025 414 Y CB 1.921 40.073 38.460 -0.514 0.000 1.266 414 Y HN -0.231 nan 8.280 nan 0.000 0.448 415 L N 4.484 125.590 121.223 -0.194 0.000 2.272 415 L HA 0.495 4.835 4.340 0.001 0.000 0.289 415 L C -1.682 175.061 176.870 -0.212 0.000 1.032 415 L CA -1.025 53.688 54.840 -0.212 0.000 0.810 415 L CB -0.262 41.590 42.059 -0.344 0.000 1.205 415 L HN 0.599 nan 8.230 nan 0.000 0.422 416 Y N 6.301 126.523 120.300 -0.131 0.000 2.330 416 Y HA 0.530 5.081 4.550 0.001 0.000 0.336 416 Y C -0.225 175.680 175.900 0.009 0.000 1.036 416 Y CA -0.337 57.684 58.100 -0.131 0.000 1.125 416 Y CB 1.287 39.550 38.460 -0.328 0.000 1.194 416 Y HN 0.613 nan 8.280 nan 0.000 0.469 417 Y N 0.907 121.281 120.300 0.123 0.000 2.588 417 Y HA 0.743 5.294 4.550 0.002 0.000 0.343 417 Y C -1.774 174.228 175.900 0.169 0.000 1.065 417 Y CA -1.866 56.302 58.100 0.114 0.000 1.038 417 Y CB 1.024 39.531 38.460 0.078 0.000 1.297 417 Y HN 0.285 nan 8.280 nan 0.000 0.467 418 I N 3.438 124.187 120.570 0.298 0.000 2.359 418 I HA 0.556 4.727 4.170 0.001 0.000 0.294 418 I C 0.062 176.392 176.117 0.356 0.000 0.987 418 I CA -0.166 61.265 61.300 0.219 0.000 1.225 418 I CB 1.254 39.329 38.000 0.125 0.000 1.366 418 I HN 0.890 nan 8.210 nan 0.000 0.466 419 S N 4.196 120.078 115.700 0.303 0.000 2.685 419 S HA 0.471 4.942 4.470 0.001 0.000 0.282 419 S C -0.151 174.522 174.600 0.123 0.000 1.159 419 S CA -0.789 57.570 58.200 0.264 0.000 0.833 419 S CB 1.865 65.267 63.200 0.337 0.000 1.151 419 S HN 0.565 nan 8.310 nan 0.000 0.485 420 N N -0.358 118.410 118.700 0.114 0.000 2.320 420 N HA 0.132 4.873 4.740 0.001 0.000 0.237 420 N C 0.632 176.128 175.510 -0.022 0.000 1.129 420 N CA -0.229 52.840 53.050 0.030 0.000 0.854 420 N CB 0.098 38.589 38.487 0.007 0.000 1.083 420 N HN 0.804 nan 8.380 nan 0.000 0.504 421 E N 0.052 120.101 120.200 -0.251 0.000 2.077 421 E HA -0.200 4.151 4.350 0.001 0.000 0.193 421 E C -0.413 176.026 176.600 -0.270 0.000 0.989 421 E CA 0.362 56.343 56.400 -0.697 0.000 0.800 421 E CB -0.062 28.603 29.700 -1.724 0.000 0.746 421 E HN 0.549 nan 8.360 nan 0.000 0.452 422 Y N 1.559 121.765 120.300 -0.157 0.000 2.632 422 Y HA -0.111 4.439 4.550 0.000 0.000 0.329 422 Y C 0.327 176.187 175.900 -0.066 0.000 1.174 422 Y CA 0.688 58.745 58.100 -0.070 0.000 1.469 422 Y CB 0.268 38.719 38.460 -0.016 0.000 1.242 422 Y HN 0.028 nan 8.280 nan 0.000 0.540 423 K N 3.663 123.758 120.400 -0.508 0.000 3.130 423 K HA -0.257 4.064 4.320 0.001 0.000 0.282 423 K C 0.814 177.333 176.600 -0.136 0.000 1.145 423 K CA 0.710 56.768 56.287 -0.382 0.000 0.831 423 K CB -1.924 30.300 32.500 -0.460 0.000 1.226 423 K HN 1.233 nan 8.250 nan 0.000 0.478 424 G N 0.614 109.351 108.800 -0.106 0.000 2.258 424 G HA2 -0.341 3.620 3.960 0.001 0.000 0.274 424 G HA3 -0.341 3.620 3.960 0.001 0.000 0.274 424 G C 0.057 174.918 174.900 -0.065 0.000 1.021 424 G CA 0.916 45.998 45.100 -0.030 0.000 0.798 424 G HN 0.356 nan 8.290 nan 0.000 0.507 425 M N 0.272 119.765 119.600 -0.178 0.000 2.094 425 M HA 0.266 4.746 4.480 0.001 0.000 0.348 425 M C -1.181 174.862 176.300 -0.428 0.000 1.267 425 M CA -2.005 53.012 55.300 -0.471 0.000 1.125 425 M CB 1.598 33.996 32.600 -0.337 0.000 1.527 425 M HN -0.138 nan 8.290 nan 0.000 0.447 426 P HA -0.056 nan 4.420 nan 0.000 0.225 426 P C 1.075 178.238 177.300 -0.228 0.000 1.148 426 P CA 0.889 63.815 63.100 -0.290 0.000 0.779 426 P CB 0.198 31.731 31.700 -0.278 0.000 0.780 427 G N -1.082 107.523 108.800 -0.326 0.000 3.189 427 G HA2 0.298 4.259 3.960 0.001 0.000 0.225 427 G HA3 0.298 4.259 3.960 0.001 0.000 0.225 427 G C 0.605 175.509 174.900 0.007 0.000 1.159 427 G CA 0.010 45.045 45.100 -0.107 0.000 0.763 427 G HN 0.368 nan 8.290 nan 0.000 0.549 428 G N -0.051 108.695 108.800 -0.091 0.000 2.434 428 G HA2 0.630 4.590 3.960 0.001 0.000 0.330 428 G HA3 0.630 4.590 3.960 0.001 0.000 0.330 428 G C -0.811 173.964 174.900 -0.208 0.000 1.155 428 G CA -0.718 44.349 45.100 -0.054 0.000 0.917 428 G HN 0.071 nan 8.290 nan 0.000 0.493 429 R N 0.639 120.968 120.500 -0.285 0.000 2.538 429 R HA 0.379 4.720 4.340 0.001 0.000 0.292 429 R C -1.221 175.044 176.300 -0.059 0.000 1.008 429 R CA -0.808 55.113 56.100 -0.299 0.000 0.896 429 R CB 1.841 31.734 30.300 -0.678 0.000 1.187 429 R HN 0.685 nan 8.270 nan 0.000 0.440 430 N N 0.527 119.220 118.700 -0.011 0.000 2.357 430 N HA 0.446 5.187 4.740 0.001 0.000 0.284 430 N C -1.413 173.969 175.510 -0.214 0.000 1.236 430 N CA -0.810 52.152 53.050 -0.147 0.000 0.774 430 N CB 1.963 40.257 38.487 -0.322 0.000 1.534 430 N HN 0.227 nan 8.380 nan 0.000 0.478 431 L N 2.069 123.009 121.223 -0.471 0.000 2.292 431 L HA 0.492 4.833 4.340 0.001 0.000 0.284 431 L C -1.578 174.878 176.870 -0.690 0.000 1.065 431 L CA 0.001 54.587 54.840 -0.423 0.000 0.806 431 L CB -0.127 41.685 42.059 -0.411 0.000 1.175 431 L HN 0.516 nan 8.230 nan 0.000 0.431 432 Y N 3.369 123.319 120.300 -0.582 0.000 2.536 432 Y HA 0.579 5.130 4.550 0.001 0.000 0.347 432 Y C -0.494 175.055 175.900 -0.584 0.000 1.000 432 Y CA -0.935 56.764 58.100 -0.669 0.000 1.051 432 Y CB 1.765 39.608 38.460 -1.029 0.000 1.259 432 Y HN 0.515 nan 8.280 nan 0.000 0.468 433 K N 1.919 122.157 120.400 -0.271 0.000 2.378 433 K HA 0.724 5.045 4.320 0.001 0.000 0.252 433 K C -1.677 174.878 176.600 -0.074 0.000 0.931 433 K CA -0.584 55.488 56.287 -0.358 0.000 0.794 433 K CB 1.964 33.987 32.500 -0.795 0.000 1.181 433 K HN 0.619 nan 8.250 nan 0.000 0.425 434 I N 2.804 123.387 120.570 0.023 0.000 2.315 434 I HA 0.083 4.254 4.170 0.001 0.000 0.291 434 I C 0.160 176.340 176.117 0.106 0.000 1.006 434 I CA -0.686 60.688 61.300 0.123 0.000 1.265 434 I CB 1.663 39.749 38.000 0.144 0.000 1.387 434 I HN 0.682 nan 8.210 nan 0.000 0.475 435 Q N 5.346 125.205 119.800 0.098 0.000 2.286 435 Q HA 0.046 4.387 4.340 0.001 0.000 0.265 435 Q C 0.528 176.437 176.000 -0.151 0.000 1.080 435 Q CA -0.461 55.270 55.803 -0.119 0.000 0.906 435 Q CB 0.796 29.512 28.738 -0.037 0.000 1.227 435 Q HN 0.621 nan 8.270 nan 0.000 0.409 436 L N 3.361 124.427 121.223 -0.262 0.000 2.131 436 L HA -0.200 4.140 4.340 0.001 0.000 0.210 436 L C 2.402 179.212 176.870 -0.100 0.000 1.092 436 L CA 2.031 56.786 54.840 -0.142 0.000 0.759 436 L CB -0.919 41.049 42.059 -0.151 0.000 0.903 436 L HN 0.790 nan 8.230 nan 0.000 0.435 437 S N -2.056 113.557 115.700 -0.144 0.000 2.447 437 S HA -0.091 4.380 4.470 0.001 0.000 0.233 437 S C 0.763 175.315 174.600 -0.081 0.000 1.006 437 S CA 0.812 58.951 58.200 -0.102 0.000 0.957 437 S CB -0.083 63.049 63.200 -0.114 0.000 0.773 437 S HN 0.452 nan 8.310 nan 0.000 0.507 438 D N 0.184 120.534 120.400 -0.083 0.000 2.351 438 D HA 0.156 4.797 4.640 0.001 0.000 0.235 438 D C 0.233 176.468 176.300 -0.108 0.000 1.331 438 D CA -0.772 53.154 54.000 -0.123 0.000 0.959 438 D CB 0.181 40.905 40.800 -0.127 0.000 1.432 438 D HN 0.261 nan 8.370 nan 0.000 0.544 439 Y N 1.388 121.656 120.300 -0.052 0.000 2.483 439 Y HA -0.090 4.461 4.550 0.002 0.000 0.291 439 Y C 1.929 177.832 175.900 0.005 0.000 1.143 439 Y CA 1.420 59.505 58.100 -0.025 0.000 1.289 439 Y CB -0.780 37.664 38.460 -0.028 0.000 0.983 439 Y HN 0.233 nan 8.280 nan 0.000 0.556 440 T N -2.655 111.709 114.554 -0.318 0.000 3.072 440 T HA 0.003 4.354 4.350 0.001 0.000 0.266 440 T C 0.544 175.219 174.700 -0.042 0.000 1.127 440 T CA 0.118 62.120 62.100 -0.163 0.000 1.107 440 T CB -0.226 68.487 68.868 -0.258 0.000 0.910 440 T HN 0.086 nan 8.240 nan 0.000 0.513 441 K N 2.449 122.830 120.400 -0.031 0.000 2.273 441 K HA 0.520 4.841 4.320 0.001 0.000 0.287 441 K C -1.018 175.622 176.600 0.067 0.000 1.089 441 K CA -0.325 55.970 56.287 0.013 0.000 0.909 441 K CB 1.414 33.915 32.500 0.001 0.000 1.123 441 K HN 0.162 nan 8.250 nan 0.000 0.473 442 V N 2.512 122.474 119.914 0.080 0.000 2.577 442 V HA 0.330 4.451 4.120 0.001 0.000 0.303 442 V C -0.199 175.941 176.094 0.077 0.000 1.042 442 V CA -0.882 61.487 62.300 0.114 0.000 0.872 442 V CB 2.061 33.992 31.823 0.180 0.000 0.998 442 V HN 0.652 nan 8.190 nan 0.000 0.423 443 T N 2.445 117.012 114.554 0.022 0.000 2.794 443 T HA 0.287 4.638 4.350 0.001 0.000 0.280 443 T C -0.276 174.337 174.700 -0.144 0.000 0.987 443 T CA -0.333 61.734 62.100 -0.055 0.000 0.993 443 T CB 1.409 70.212 68.868 -0.108 0.000 0.939 443 T HN 0.759 nan 8.240 nan 0.000 0.449 444 C N 4.944 124.097 119.300 -0.244 0.000 2.373 444 C HA 0.377 4.838 4.460 0.001 0.000 0.354 444 C C 1.711 176.383 174.990 -0.530 0.000 1.249 444 C CA -0.586 58.037 59.018 -0.658 0.000 1.784 444 C CB -1.992 25.289 27.740 -0.764 0.000 2.408 444 C HN 0.982 nan 8.230 nan 0.000 0.542 445 L N 4.497 125.377 121.223 -0.571 0.000 2.375 445 L HA 0.058 4.399 4.340 0.001 0.000 0.215 445 L C 2.189 178.751 176.870 -0.513 0.000 1.108 445 L CA 1.048 55.633 54.840 -0.425 0.000 0.830 445 L CB -0.253 41.593 42.059 -0.354 0.000 0.959 445 L HN 0.873 nan 8.230 nan 0.000 0.457 446 S N -3.246 112.028 115.700 -0.710 0.000 2.549 446 S HA -0.002 4.469 4.470 0.001 0.000 0.225 446 S C 1.797 175.970 174.600 -0.712 0.000 1.039 446 S CA -0.198 57.459 58.200 -0.905 0.000 0.942 446 S CB -0.310 62.005 63.200 -1.474 0.000 0.881 446 S HN 0.284 nan 8.310 nan 0.000 0.503 447 C N 2.621 121.493 119.300 -0.714 0.000 2.413 447 C HA 0.043 4.504 4.460 0.001 0.000 0.276 447 C C 2.225 176.879 174.990 -0.559 0.000 1.248 447 C CA 0.918 59.420 59.018 -0.860 0.000 1.742 447 C CB -0.784 26.212 27.740 -1.239 0.000 2.017 447 C HN 0.616 nan 8.230 nan 0.000 0.481 448 E N -0.043 119.942 120.200 -0.359 0.000 2.526 448 E HA 0.189 4.540 4.350 0.001 0.000 0.208 448 E C 1.798 178.336 176.600 -0.104 0.000 0.997 448 E CA -0.088 56.209 56.400 -0.173 0.000 0.961 448 E CB -0.101 29.521 29.700 -0.130 0.000 1.030 448 E HN 0.629 nan 8.360 nan 0.000 0.483 449 L N 0.597 121.748 121.223 -0.120 0.000 2.046 449 L HA -0.062 4.279 4.340 0.001 0.000 0.208 449 L C 1.059 177.933 176.870 0.007 0.000 1.077 449 L CA 1.015 55.825 54.840 -0.050 0.000 0.747 449 L CB -0.013 42.017 42.059 -0.048 0.000 0.896 449 L HN 0.034 nan 8.230 nan 0.000 0.432 450 N N -1.526 117.196 118.700 0.036 0.000 2.946 450 N HA 0.092 4.833 4.740 0.001 0.000 0.213 450 N C -2.155 173.381 175.510 0.043 0.000 1.440 450 N CA -0.742 52.328 53.050 0.034 0.000 0.745 450 N CB 0.972 39.477 38.487 0.031 0.000 1.471 450 N HN -0.161 nan 8.380 nan 0.000 0.569 451 P HA -0.104 nan 4.420 nan 0.000 0.218 451 P C 0.702 178.049 177.300 0.078 0.000 1.148 451 P CA 1.252 64.401 63.100 0.082 0.000 0.822 451 P CB 0.732 32.497 31.700 0.108 0.000 0.784 452 E N -0.180 120.047 120.200 0.046 0.000 2.112 452 E HA -0.130 4.221 4.350 0.001 0.000 0.190 452 E C 2.283 178.889 176.600 0.010 0.000 0.979 452 E CA 0.711 57.130 56.400 0.031 0.000 0.814 452 E CB -0.229 29.482 29.700 0.018 0.000 0.762 452 E HN 0.183 nan 8.360 nan 0.000 0.460 453 R N 0.028 120.522 120.500 -0.009 0.000 2.173 453 R HA 0.087 4.428 4.340 0.001 0.000 0.208 453 R C -0.124 176.133 176.300 -0.071 0.000 1.035 453 R CA 0.653 56.725 56.100 -0.046 0.000 1.004 453 R CB 0.298 30.561 30.300 -0.062 0.000 0.917 453 R HN -0.012 nan 8.270 nan 0.000 0.462 454 c N 0.957 119.525 118.600 -0.053 0.000 2.383 454 c HA 0.436 5.007 4.570 0.001 0.000 0.330 454 c C -0.429 173.635 174.090 -0.042 0.000 1.168 454 c CA -0.611 55.630 56.329 -0.147 0.000 1.374 454 c CB 1.421 43.818 42.510 -0.189 0.000 2.014 454 c HN 0.627 nan 8.230 nan 0.000 0.439 455 Q N 0.515 120.280 119.800 -0.059 0.000 2.081 455 Q HA 0.209 4.549 4.340 0.001 0.000 0.220 455 Q C -0.941 175.109 176.000 0.084 0.000 0.775 455 Q CA 0.070 55.919 55.803 0.077 0.000 0.983 455 Q CB 1.336 30.144 28.738 0.116 0.000 1.188 455 Q HN 0.778 nan 8.270 nan 0.000 0.458 456 Y N 0.453 120.637 120.300 -0.194 0.000 2.349 456 Y HA 0.418 4.969 4.550 0.001 0.000 0.324 456 Y C -1.563 174.174 175.900 -0.272 0.000 1.005 456 Y CA -1.000 57.016 58.100 -0.139 0.000 1.240 456 Y CB 0.840 39.234 38.460 -0.111 0.000 1.117 456 Y HN -0.072 nan 8.280 nan 0.000 0.463 457 Y N 2.514 122.758 120.300 -0.093 0.000 2.429 457 Y HA 0.602 5.152 4.550 0.001 0.000 0.342 457 Y C 0.158 176.023 175.900 -0.058 0.000 1.004 457 Y CA -0.623 57.437 58.100 -0.068 0.000 1.075 457 Y CB 2.221 40.603 38.460 -0.129 0.000 1.214 457 Y HN 0.540 nan 8.280 nan 0.000 0.455 458 S N 1.266 117.070 115.700 0.172 0.000 2.677 458 S HA 0.876 5.347 4.470 0.001 0.000 0.304 458 S C -1.497 173.180 174.600 0.128 0.000 1.108 458 S CA -0.767 57.517 58.200 0.140 0.000 0.944 458 S CB 1.927 65.223 63.200 0.159 0.000 1.127 458 S HN 0.566 nan 8.310 nan 0.000 0.511 459 V N 0.336 120.312 119.914 0.103 0.000 3.007 459 V HA 0.838 4.959 4.120 0.001 0.000 0.311 459 V C -1.096 175.048 176.094 0.084 0.000 1.120 459 V CA -0.366 61.948 62.300 0.024 0.000 0.980 459 V CB 2.361 34.090 31.823 -0.156 0.000 1.033 459 V HN 1.106 nan 8.190 nan 0.000 0.429 460 S N 4.853 120.593 115.700 0.068 0.000 2.774 460 S HA 0.635 5.106 4.470 0.001 0.000 0.297 460 S C -1.122 173.593 174.600 0.193 0.000 1.143 460 S CA -0.387 57.951 58.200 0.230 0.000 1.090 460 S CB 0.329 63.734 63.200 0.341 0.000 1.019 460 S HN 0.495 nan 8.310 nan 0.000 0.482 461 F N 3.317 123.331 119.950 0.106 0.000 2.384 461 F HA 0.376 4.904 4.527 0.001 0.000 0.338 461 F C 1.472 176.913 175.800 -0.599 0.000 1.103 461 F CA -0.161 57.744 58.000 -0.159 0.000 1.157 461 F CB 1.287 40.165 39.000 -0.204 0.000 1.167 461 F HN 0.629 nan 8.300 nan 0.000 0.529 462 S N 2.276 117.398 115.700 -0.963 0.000 2.598 462 S HA 0.074 4.545 4.470 0.001 0.000 0.256 462 S C 1.327 175.672 174.600 -0.426 0.000 1.350 462 S CA -0.569 56.796 58.200 -1.392 0.000 0.984 462 S CB 0.615 63.020 63.200 -1.325 0.000 0.930 462 S HN 0.789 nan 8.310 nan 0.000 0.577 463 K N 0.194 120.457 120.400 -0.228 0.000 2.074 463 K HA -0.154 4.167 4.320 0.001 0.000 0.209 463 K C 1.332 177.909 176.600 -0.039 0.000 1.048 463 K CA 2.051 58.309 56.287 -0.049 0.000 0.926 463 K CB -0.158 32.341 32.500 -0.002 0.000 0.713 463 K HN 0.755 nan 8.250 nan 0.000 0.444 464 E N -1.605 118.556 120.200 -0.064 0.000 2.685 464 E HA 0.252 4.603 4.350 0.001 0.000 0.208 464 E C -0.603 175.959 176.600 -0.064 0.000 0.996 464 E CA 0.438 56.819 56.400 -0.033 0.000 1.054 464 E CB 0.824 30.525 29.700 0.002 0.000 1.075 464 E HN 0.316 nan 8.360 nan 0.000 0.460 465 A N 0.619 123.377 122.820 -0.104 0.000 2.847 465 A HA -0.351 3.970 4.320 0.001 0.000 0.263 465 A C 1.486 179.038 177.584 -0.052 0.000 1.391 465 A CA 1.554 53.538 52.037 -0.088 0.000 0.866 465 A CB -2.031 16.730 19.000 -0.398 0.000 1.057 465 A HN 0.367 nan 8.150 nan 0.000 0.673 466 K N -1.754 118.571 120.400 -0.125 0.000 2.155 466 K HA 0.044 4.365 4.320 0.001 0.000 0.203 466 K C 0.229 176.492 176.600 -0.561 0.000 1.052 466 K CA 1.528 57.638 56.287 -0.294 0.000 0.948 466 K CB -0.033 32.307 32.500 -0.267 0.000 0.728 466 K HN 0.697 nan 8.250 nan 0.000 0.448 467 Y N -1.104 119.161 120.300 -0.059 0.000 2.605 467 Y HA 0.338 4.888 4.550 0.001 0.000 0.343 467 Y C -0.902 174.976 175.900 -0.037 0.000 1.036 467 Y CA -1.383 56.693 58.100 -0.040 0.000 1.065 467 Y CB 1.681 40.163 38.460 0.037 0.000 1.288 467 Y HN -0.040 nan 8.280 nan 0.000 0.481 468 Y N -1.173 119.169 120.300 0.070 0.000 2.544 468 Y HA 0.486 5.036 4.550 0.001 0.000 0.342 468 Y C -1.294 174.675 175.900 0.116 0.000 1.062 468 Y CA -1.522 56.484 58.100 -0.156 0.000 1.023 468 Y CB 1.429 39.308 38.460 -0.969 0.000 1.308 468 Y HN 0.588 nan 8.280 nan 0.000 0.457 469 Q N 3.164 123.111 119.800 0.246 0.000 2.278 469 Q HA 0.454 4.795 4.340 0.001 0.000 0.257 469 Q C -1.839 174.271 176.000 0.183 0.000 0.928 469 Q CA -0.916 54.986 55.803 0.165 0.000 0.932 469 Q CB 1.262 30.047 28.738 0.080 0.000 1.221 469 Q HN 0.822 nan 8.270 nan 0.000 0.434 470 L N 4.534 125.895 121.223 0.230 0.000 2.276 470 L HA 0.401 4.742 4.340 0.001 0.000 0.286 470 L C -0.102 176.856 176.870 0.145 0.000 1.061 470 L CA 0.255 55.219 54.840 0.206 0.000 0.807 470 L CB 1.261 43.452 42.059 0.219 0.000 1.177 470 L HN 0.613 nan 8.230 nan 0.000 0.429 471 R N 3.857 124.411 120.500 0.090 0.000 2.246 471 R HA 0.393 4.734 4.340 0.001 0.000 0.332 471 R C -0.989 175.174 176.300 -0.228 0.000 0.974 471 R CA -0.415 55.568 56.100 -0.197 0.000 0.837 471 R CB 0.803 31.073 30.300 -0.050 0.000 1.145 471 R HN 0.731 nan 8.270 nan 0.000 0.467 472 c N 4.016 122.340 118.600 -0.460 0.000 2.255 472 c HA 0.437 5.008 4.570 0.001 0.000 0.326 472 c C 0.716 174.570 174.090 -0.393 0.000 1.258 472 c CA -0.401 55.567 56.329 -0.602 0.000 1.676 472 c CB 0.742 42.809 42.510 -0.738 0.000 2.314 472 c HN 0.959 nan 8.230 nan 0.000 0.509 473 S N 3.457 119.023 115.700 -0.224 0.000 2.540 473 S HA 0.546 5.016 4.470 0.001 0.000 0.218 473 S C 0.650 175.205 174.600 -0.075 0.000 0.977 473 S CA 0.375 58.505 58.200 -0.118 0.000 0.918 473 S CB 0.230 63.385 63.200 -0.075 0.000 0.806 473 S HN 1.467 nan 8.310 nan 0.000 0.496 474 G N 1.763 110.507 108.800 -0.095 0.000 2.337 474 G HA2 0.248 4.209 3.960 0.001 0.000 0.298 474 G HA3 0.248 4.209 3.960 0.001 0.000 0.298 474 G C -2.954 171.925 174.900 -0.035 0.000 1.335 474 G CA -0.662 44.423 45.100 -0.025 0.000 0.875 474 G HN -0.172 nan 8.290 nan 0.000 0.579 475 P HA 0.110 nan 4.420 nan 0.000 0.225 475 P C 1.351 178.683 177.300 0.053 0.000 1.156 475 P CA 1.509 64.639 63.100 0.051 0.000 0.787 475 P CB 0.198 31.925 31.700 0.045 0.000 0.802 476 G N 0.369 109.135 108.800 -0.056 0.000 2.535 476 G HA2 0.372 4.333 3.960 0.001 0.000 0.282 476 G HA3 0.372 4.333 3.960 0.001 0.000 0.282 476 G C -0.208 174.475 174.900 -0.362 0.000 1.350 476 G CA -0.724 44.270 45.100 -0.176 0.000 1.039 476 G HN 0.051 nan 8.290 nan 0.000 0.509 477 L N 1.104 122.017 121.223 -0.517 0.000 2.514 477 L HA 0.127 4.467 4.340 0.001 0.000 0.280 477 L C -1.800 174.903 176.870 -0.279 0.000 1.223 477 L CA -1.179 53.321 54.840 -0.567 0.000 0.864 477 L CB 0.379 42.185 42.059 -0.421 0.000 1.118 477 L HN 0.253 nan 8.230 nan 0.000 0.494 478 P HA 0.072 nan 4.420 nan 0.000 0.267 478 P C -0.941 176.271 177.300 -0.147 0.000 1.200 478 P CA -0.100 62.908 63.100 -0.154 0.000 0.772 478 P CB 0.620 32.307 31.700 -0.021 0.000 0.855 479 L N 4.394 125.443 121.223 -0.289 0.000 2.406 479 L HA 0.464 4.805 4.340 0.001 0.000 0.272 479 L C -1.742 174.931 176.870 -0.327 0.000 0.980 479 L CA -0.620 54.109 54.840 -0.185 0.000 0.831 479 L CB 0.947 42.926 42.059 -0.133 0.000 1.253 479 L HN 0.246 nan 8.230 nan 0.000 0.406 480 Y N 2.841 123.101 120.300 -0.066 0.000 2.335 480 Y HA 0.721 5.272 4.550 0.002 0.000 0.338 480 Y C 0.422 176.213 175.900 -0.181 0.000 0.977 480 Y CA -0.493 57.547 58.100 -0.099 0.000 1.114 480 Y CB 2.103 40.483 38.460 -0.134 0.000 1.182 480 Y HN 0.654 nan 8.280 nan 0.000 0.463 481 T N 1.667 116.213 114.554 -0.014 0.000 2.906 481 T HA 0.650 5.001 4.350 0.001 0.000 0.295 481 T C -1.289 173.233 174.700 -0.296 0.000 1.061 481 T CA -0.921 61.082 62.100 -0.162 0.000 1.000 481 T CB 1.745 70.572 68.868 -0.069 0.000 1.103 481 T HN 0.552 nan 8.240 nan 0.000 0.486 482 L N 2.267 123.153 121.223 -0.562 0.000 2.334 482 L HA 0.607 4.948 4.340 0.001 0.000 0.276 482 L C -0.700 175.673 176.870 -0.828 0.000 1.014 482 L CA -0.783 53.766 54.840 -0.484 0.000 0.815 482 L CB 1.345 43.234 42.059 -0.284 0.000 1.268 482 L HN 0.848 nan 8.230 nan 0.000 0.428 483 H N 1.251 120.113 119.070 -0.347 0.000 2.980 483 H HA 0.306 4.863 4.556 0.001 0.000 0.367 483 H C -0.838 174.306 175.328 -0.306 0.000 1.206 483 H CA -0.771 54.979 56.048 -0.497 0.000 1.126 483 H CB 2.235 31.343 29.762 -1.091 0.000 1.838 483 H HN 0.523 nan 8.280 nan 0.000 0.552 484 S N 0.345 116.029 115.700 -0.027 0.000 2.489 484 S HA 0.220 4.691 4.470 0.001 0.000 0.291 484 S C 0.686 175.289 174.600 0.006 0.000 1.151 484 S CA -0.683 57.519 58.200 0.004 0.000 1.082 484 S CB 1.849 65.079 63.200 0.050 0.000 1.019 484 S HN 0.551 nan 8.310 nan 0.000 0.492 485 S N 1.968 117.678 115.700 0.018 0.000 2.453 485 S HA -0.058 4.413 4.470 0.001 0.000 0.231 485 S C 1.827 176.456 174.600 0.048 0.000 1.005 485 S CA 0.784 59.078 58.200 0.156 0.000 0.949 485 S CB -0.470 62.805 63.200 0.124 0.000 0.774 485 S HN 0.645 nan 8.310 nan 0.000 0.510 486 V N 2.394 122.294 119.914 -0.024 0.000 2.287 486 V HA -0.176 3.945 4.120 0.001 0.000 0.248 486 V C 1.598 177.696 176.094 0.008 0.000 1.053 486 V CA 1.717 64.014 62.300 -0.006 0.000 1.027 486 V CB -0.508 31.299 31.823 -0.028 0.000 0.646 486 V HN 0.555 nan 8.190 nan 0.000 0.447 487 N N -1.745 116.960 118.700 0.007 0.000 2.181 487 N HA 0.031 4.772 4.740 0.001 0.000 0.207 487 N C -0.368 175.150 175.510 0.014 0.000 1.182 487 N CA 0.382 53.436 53.050 0.008 0.000 0.893 487 N CB 0.692 39.182 38.487 0.006 0.000 1.032 487 N HN 0.374 nan 8.380 nan 0.000 0.513 488 D N 1.540 121.967 120.400 0.045 0.000 2.911 488 D HA -0.179 4.462 4.640 0.001 0.000 0.227 488 D C 0.087 176.416 176.300 0.048 0.000 1.164 488 D CA 1.071 55.121 54.000 0.083 0.000 0.782 488 D CB -0.979 39.860 40.800 0.065 0.000 1.094 488 D HN 0.412 nan 8.370 nan 0.000 0.425 489 K N 0.938 121.354 120.400 0.027 0.000 2.350 489 K HA 0.305 4.626 4.320 0.001 0.000 0.279 489 K C 0.746 177.355 176.600 0.015 0.000 1.027 489 K CA 0.193 56.488 56.287 0.015 0.000 0.969 489 K CB 0.643 33.142 32.500 -0.001 0.000 0.954 489 K HN 0.068 nan 8.250 nan 0.000 0.474 490 G N 4.444 113.250 108.800 0.009 0.000 2.335 490 G HA2 0.122 4.083 3.960 0.001 0.000 0.268 490 G HA3 0.122 4.083 3.960 0.001 0.000 0.268 490 G C 0.654 175.460 174.900 -0.156 0.000 1.228 490 G CA -0.394 44.650 45.100 -0.094 0.000 0.968 490 G HN 0.701 nan 8.290 nan 0.000 0.459 491 L N 2.097 123.169 121.223 -0.251 0.000 2.121 491 L HA 0.308 4.649 4.340 0.001 0.000 0.200 491 L C 1.654 178.421 176.870 -0.172 0.000 1.077 491 L CA 0.833 55.569 54.840 -0.173 0.000 0.766 491 L CB -0.099 41.869 42.059 -0.151 0.000 0.931 491 L HN 0.726 nan 8.230 nan 0.000 0.452 492 R N -1.426 118.930 120.500 -0.241 0.000 2.690 492 R HA 0.386 4.727 4.340 0.001 0.000 0.269 492 R C -1.633 174.519 176.300 -0.247 0.000 1.037 492 R CA -0.818 55.163 56.100 -0.199 0.000 0.877 492 R CB 1.471 31.681 30.300 -0.150 0.000 1.255 492 R HN -0.251 nan 8.270 nan 0.000 0.467 493 V N 3.814 123.617 119.914 -0.186 0.000 2.427 493 V HA 0.116 4.237 4.120 0.001 0.000 0.268 493 V C 1.478 177.428 176.094 -0.241 0.000 1.046 493 V CA -0.217 61.976 62.300 -0.178 0.000 0.970 493 V CB 0.810 32.569 31.823 -0.106 0.000 1.001 493 V HN 0.665 nan 8.190 nan 0.000 0.476 494 L N 2.683 123.687 121.223 -0.365 0.000 2.127 494 L HA 0.220 4.561 4.340 0.001 0.000 0.203 494 L C 0.865 177.469 176.870 -0.444 0.000 1.080 494 L CA 0.897 55.316 54.840 -0.701 0.000 0.768 494 L CB 0.153 41.419 42.059 -1.322 0.000 0.924 494 L HN 0.668 nan 8.230 nan 0.000 0.444 495 E N -0.215 119.885 120.200 -0.167 0.000 2.311 495 E HA 0.100 4.450 4.350 0.001 0.000 0.281 495 E C -1.117 175.541 176.600 0.096 0.000 0.905 495 E CA -0.341 56.086 56.400 0.045 0.000 0.778 495 E CB 1.227 31.015 29.700 0.148 0.000 1.240 495 E HN 0.156 nan 8.360 nan 0.000 0.410 496 D N 3.369 123.800 120.400 0.052 0.000 2.500 496 D HA 0.107 4.748 4.640 0.001 0.000 0.217 496 D C -0.352 175.959 176.300 0.017 0.000 1.159 496 D CA -0.213 53.800 54.000 0.022 0.000 0.828 496 D CB -0.067 40.726 40.800 -0.011 0.000 1.039 496 D HN 0.479 nan 8.370 nan 0.000 0.512 497 N N 0.663 119.393 118.700 0.050 0.000 2.725 497 N HA -0.195 4.545 4.740 0.001 0.000 0.249 497 N C 0.869 176.389 175.510 0.017 0.000 1.103 497 N CA 0.922 53.997 53.050 0.041 0.000 0.707 497 N CB -1.399 37.101 38.487 0.021 0.000 1.043 497 N HN 0.446 nan 8.380 nan 0.000 0.553 498 S N -1.114 114.597 115.700 0.019 0.000 2.419 498 S HA -0.041 4.430 4.470 0.001 0.000 0.233 498 S C 2.093 176.711 174.600 0.030 0.000 1.016 498 S CA 0.930 59.139 58.200 0.014 0.000 0.974 498 S CB -0.068 63.140 63.200 0.013 0.000 0.786 498 S HN 0.539 nan 8.310 nan 0.000 0.492 499 A N 1.940 124.787 122.820 0.045 0.000 1.873 499 A HA 0.094 4.414 4.320 0.001 0.000 0.215 499 A C 2.192 179.825 177.584 0.081 0.000 1.186 499 A CA 1.452 53.525 52.037 0.060 0.000 0.616 499 A CB -0.822 18.216 19.000 0.063 0.000 0.823 499 A HN 0.459 nan 8.150 nan 0.000 0.442 500 L N 0.320 121.594 121.223 0.085 0.000 2.027 500 L HA -0.146 4.195 4.340 0.001 0.000 0.206 500 L C 1.946 178.861 176.870 0.076 0.000 1.074 500 L CA 2.718 57.627 54.840 0.115 0.000 0.745 500 L CB -0.727 41.397 42.059 0.109 0.000 0.898 500 L HN 0.496 nan 8.230 nan 0.000 0.433 501 D N -0.867 119.545 120.400 0.020 0.000 2.158 501 D HA -0.284 4.357 4.640 0.001 0.000 0.197 501 D C 2.172 178.483 176.300 0.019 0.000 0.995 501 D CA 1.497 55.491 54.000 -0.010 0.000 0.846 501 D CB 0.074 40.857 40.800 -0.029 0.000 0.941 501 D HN 0.226 nan 8.370 nan 0.000 0.456 502 K N 0.085 120.511 120.400 0.042 0.000 1.991 502 K HA -0.062 4.259 4.320 0.001 0.000 0.207 502 K C 2.107 178.753 176.600 0.077 0.000 1.045 502 K CA 1.618 57.936 56.287 0.051 0.000 0.937 502 K CB -0.327 32.205 32.500 0.052 0.000 0.720 502 K HN 0.314 nan 8.250 nan 0.000 0.438 503 M N -0.478 119.194 119.600 0.121 0.000 2.686 503 M HA 0.062 4.543 4.480 0.001 0.000 0.246 503 M C 0.993 177.408 176.300 0.192 0.000 1.096 503 M CA 1.079 56.491 55.300 0.187 0.000 1.076 503 M CB 0.107 32.859 32.600 0.253 0.000 1.504 503 M HN 0.034 nan 8.290 nan 0.000 0.524 504 L N 1.308 122.585 121.223 0.090 0.000 2.408 504 L HA 0.059 4.400 4.340 0.001 0.000 0.215 504 L C 2.594 179.456 176.870 -0.014 0.000 1.081 504 L CA 1.352 56.178 54.840 -0.022 0.000 0.840 504 L CB -0.267 41.773 42.059 -0.031 0.000 1.002 504 L HN 0.527 nan 8.230 nan 0.000 0.468 505 Q N -0.723 119.085 119.800 0.014 0.000 2.515 505 Q HA -0.089 4.251 4.340 0.001 0.000 0.212 505 Q C 0.659 176.675 176.000 0.026 0.000 0.970 505 Q CA 1.193 57.002 55.803 0.011 0.000 0.941 505 Q CB -0.462 28.282 28.738 0.010 0.000 0.998 505 Q HN 0.553 nan 8.270 nan 0.000 0.518 506 N N -0.303 118.423 118.700 0.044 0.000 2.205 506 N HA 0.084 4.825 4.740 0.001 0.000 0.201 506 N C -0.399 175.150 175.510 0.065 0.000 1.128 506 N CA -0.184 52.901 53.050 0.059 0.000 0.867 506 N CB 0.447 38.977 38.487 0.071 0.000 0.996 506 N HN -0.018 nan 8.380 nan 0.000 0.503 507 V N 1.707 121.642 119.914 0.035 0.000 2.498 507 V HA 0.139 4.260 4.120 0.001 0.000 0.279 507 V C 0.485 176.596 176.094 0.028 0.000 1.048 507 V CA -0.649 61.666 62.300 0.026 0.000 0.967 507 V CB 1.246 33.018 31.823 -0.085 0.000 0.988 507 V HN 0.246 nan 8.190 nan 0.000 0.473 508 Q N 4.893 124.732 119.800 0.066 0.000 2.320 508 Q HA 0.151 4.492 4.340 0.001 0.000 0.262 508 Q C -0.406 175.609 176.000 0.024 0.000 1.225 508 Q CA 0.190 56.032 55.803 0.065 0.000 0.916 508 Q CB 0.225 29.046 28.738 0.137 0.000 1.417 508 Q HN 0.534 nan 8.270 nan 0.000 0.462 509 M N 4.303 123.886 119.600 -0.028 0.000 2.367 509 M HA 0.420 4.901 4.480 0.001 0.000 0.339 509 M C -2.060 174.192 176.300 -0.080 0.000 1.177 509 M CA -2.551 52.716 55.300 -0.054 0.000 1.068 509 M CB 0.777 33.344 32.600 -0.055 0.000 1.602 509 M HN 0.292 nan 8.290 nan 0.000 0.457 510 P HA 0.173 nan 4.420 nan 0.000 0.272 510 P C -0.805 176.421 177.300 -0.124 0.000 1.240 510 P CA -0.287 62.736 63.100 -0.127 0.000 0.791 510 P CB 0.322 31.927 31.700 -0.159 0.000 0.978 511 S N -0.373 115.238 115.700 -0.148 0.000 2.593 511 S HA 0.488 4.959 4.470 0.001 0.000 0.297 511 S C -0.359 174.147 174.600 -0.156 0.000 1.112 511 S CA -0.912 57.210 58.200 -0.131 0.000 1.043 511 S CB 1.711 64.833 63.200 -0.129 0.000 1.054 511 S HN 0.443 nan 8.310 nan 0.000 0.516 512 K N 1.150 121.485 120.400 -0.107 0.000 2.235 512 K HA 0.312 4.633 4.320 0.001 0.000 0.266 512 K C -0.918 175.629 176.600 -0.088 0.000 0.980 512 K CA -0.483 55.743 56.287 -0.100 0.000 0.849 512 K CB 0.942 33.406 32.500 -0.060 0.000 1.098 512 K HN 0.708 nan 8.250 nan 0.000 0.445 513 K N 5.769 126.104 120.400 -0.108 0.000 2.213 513 K HA 0.262 4.583 4.320 0.001 0.000 0.270 513 K C -1.131 175.425 176.600 -0.073 0.000 1.002 513 K CA -0.610 55.627 56.287 -0.083 0.000 0.868 513 K CB 0.868 33.310 32.500 -0.096 0.000 1.093 513 K HN 0.539 nan 8.250 nan 0.000 0.454 514 L N 4.882 126.082 121.223 -0.039 0.000 2.294 514 L HA 0.408 4.749 4.340 0.001 0.000 0.283 514 L C -1.093 175.778 176.870 0.001 0.000 1.015 514 L CA -0.119 54.730 54.840 0.015 0.000 0.831 514 L CB 1.145 43.284 42.059 0.133 0.000 1.217 514 L HN 0.864 nan 8.230 nan 0.000 0.420 515 D N 3.154 123.343 120.400 -0.351 0.000 2.812 515 D HA 0.479 5.120 4.640 0.001 0.000 0.318 515 D C -1.418 174.441 176.300 -0.735 0.000 1.234 515 D CA -0.034 53.658 54.000 -0.512 0.000 0.989 515 D CB 2.363 42.859 40.800 -0.507 0.000 1.442 515 D HN 0.219 nan 8.370 nan 0.000 0.537 516 F N -0.034 119.488 119.950 -0.713 0.000 2.603 516 F HA 0.721 5.249 4.527 0.001 0.000 0.317 516 F C -0.497 175.359 175.800 0.094 0.000 1.066 516 F CA -1.095 56.603 58.000 -0.504 0.000 0.941 516 F CB 0.846 39.097 39.000 -1.248 0.000 1.291 516 F HN 0.236 nan 8.300 nan 0.000 0.472 517 I N 0.102 120.942 120.570 0.450 0.000 2.797 517 I HA 0.633 4.804 4.170 0.001 0.000 0.307 517 I C -1.171 175.197 176.117 0.419 0.000 1.033 517 I CA -1.191 60.310 61.300 0.335 0.000 1.071 517 I CB 2.365 40.519 38.000 0.257 0.000 1.255 517 I HN 0.650 nan 8.210 nan 0.000 0.445 518 I N 5.147 125.897 120.570 0.300 0.000 2.347 518 I HA 0.269 4.440 4.170 0.001 0.000 0.283 518 I C -0.984 175.276 176.117 0.237 0.000 1.058 518 I CA -0.512 60.955 61.300 0.279 0.000 1.202 518 I CB 1.074 39.205 38.000 0.217 0.000 1.386 518 I HN 0.336 nan 8.210 nan 0.000 0.475 519 L N 6.552 127.990 121.223 0.358 0.000 2.275 519 L HA 0.357 4.698 4.340 0.001 0.000 0.288 519 L C 0.511 177.531 176.870 0.251 0.000 1.046 519 L CA -0.278 54.724 54.840 0.270 0.000 0.805 519 L CB 0.254 42.464 42.059 0.251 0.000 1.193 519 L HN 0.461 nan 8.230 nan 0.000 0.426 520 N N 2.954 121.733 118.700 0.132 0.000 2.699 520 N HA -0.257 4.483 4.740 0.001 0.000 0.256 520 N C 0.494 176.056 175.510 0.087 0.000 0.993 520 N CA 1.129 54.234 53.050 0.092 0.000 0.759 520 N CB -0.762 37.770 38.487 0.075 0.000 0.906 520 N HN 0.687 nan 8.380 nan 0.000 0.541 521 E N -3.569 116.677 120.200 0.077 0.000 3.673 521 E HA -0.211 4.139 4.350 0.001 0.000 0.309 521 E C -0.679 175.936 176.600 0.024 0.000 0.819 521 E CA 1.856 58.284 56.400 0.048 0.000 1.111 521 E CB -1.167 28.549 29.700 0.026 0.000 1.561 521 E HN 0.597 nan 8.360 nan 0.000 0.450 522 T N 0.413 114.993 114.554 0.042 0.000 2.807 522 T HA 0.398 4.749 4.350 0.001 0.000 0.279 522 T C -0.096 174.506 174.700 -0.163 0.000 0.993 522 T CA -0.886 61.149 62.100 -0.108 0.000 0.970 522 T CB 1.661 70.411 68.868 -0.197 0.000 0.950 522 T HN -0.042 nan 8.240 nan 0.000 0.441 523 K N 2.137 122.371 120.400 -0.276 0.000 2.412 523 K HA 0.356 4.677 4.320 0.001 0.000 0.281 523 K C -1.080 175.280 176.600 -0.401 0.000 1.027 523 K CA 0.167 56.293 56.287 -0.269 0.000 0.989 523 K CB 0.346 32.581 32.500 -0.441 0.000 0.935 523 K HN 0.428 nan 8.250 nan 0.000 0.475 524 F N 2.059 122.092 119.950 0.139 0.000 2.539 524 F HA 0.275 4.803 4.527 0.002 0.000 0.318 524 F C -0.657 175.266 175.800 0.206 0.000 1.135 524 F CA -0.760 57.343 58.000 0.170 0.000 0.915 524 F CB 1.003 40.147 39.000 0.240 0.000 1.176 524 F HN 0.440 nan 8.300 nan 0.000 0.440 525 W N 3.972 125.429 121.300 0.261 0.000 2.381 525 W HA 0.538 5.198 4.660 0.001 0.000 0.329 525 W C -0.655 176.064 176.519 0.334 0.000 1.157 525 W CA -0.586 56.925 57.345 0.278 0.000 1.240 525 W CB 0.841 30.390 29.460 0.147 0.000 1.199 525 W HN 0.439 nan 8.180 nan 0.000 0.579 526 Y N -0.055 120.575 120.300 0.550 0.000 2.581 526 Y HA 0.661 5.212 4.550 0.002 0.000 0.345 526 Y C -0.878 175.245 175.900 0.372 0.000 1.036 526 Y CA -1.831 56.586 58.100 0.528 0.000 1.042 526 Y CB 1.145 40.056 38.460 0.751 0.000 1.289 526 Y HN 0.568 nan 8.280 nan 0.000 0.471 527 Q N 2.561 122.579 119.800 0.363 0.000 2.413 527 Q HA 0.737 5.078 4.340 0.001 0.000 0.276 527 Q C -1.678 174.443 176.000 0.201 0.000 1.099 527 Q CA -1.179 54.728 55.803 0.172 0.000 0.814 527 Q CB 3.238 32.047 28.738 0.119 0.000 1.379 527 Q HN 0.872 nan 8.270 nan 0.000 0.436 528 M N 2.520 122.162 119.600 0.070 0.000 2.259 528 M HA 0.416 4.897 4.480 0.001 0.000 0.304 528 M C -1.218 175.006 176.300 -0.126 0.000 1.019 528 M CA -0.964 54.306 55.300 -0.050 0.000 0.922 528 M CB 1.998 34.523 32.600 -0.126 0.000 1.600 528 M HN 0.600 nan 8.290 nan 0.000 0.433 529 I N 5.281 125.774 120.570 -0.128 0.000 2.337 529 I HA 0.321 4.492 4.170 0.001 0.000 0.291 529 I C -0.446 175.517 176.117 -0.257 0.000 1.046 529 I CA -0.196 61.002 61.300 -0.171 0.000 1.324 529 I CB 0.013 37.932 38.000 -0.136 0.000 1.409 529 I HN 0.637 nan 8.210 nan 0.000 0.494 530 L N 8.400 129.422 121.223 -0.335 0.000 2.296 530 L HA 0.446 4.787 4.340 0.001 0.000 0.286 530 L C -2.187 174.491 176.870 -0.320 0.000 1.023 530 L CA -1.840 52.698 54.840 -0.504 0.000 0.812 530 L CB 1.618 43.200 42.059 -0.796 0.000 1.223 530 L HN 0.263 nan 8.230 nan 0.000 0.421 531 P HA -0.020 nan 4.420 nan 0.000 0.267 531 P C -2.450 174.837 177.300 -0.022 0.000 1.195 531 P CA -0.559 62.490 63.100 -0.085 0.000 0.773 531 P CB -0.222 31.488 31.700 0.016 0.000 0.837 532 P HA -0.029 nan 4.420 nan 0.000 0.269 532 P C -0.076 177.269 177.300 0.075 0.000 1.209 532 P CA 0.666 63.736 63.100 -0.050 0.000 0.776 532 P CB -0.082 31.620 31.700 0.003 0.000 0.876 533 H N -1.590 117.521 119.070 0.068 0.000 2.861 533 H HA -0.213 4.344 4.556 0.001 0.000 0.289 533 H C 0.247 175.637 175.328 0.104 0.000 1.176 533 H CA 0.046 56.136 56.048 0.070 0.000 1.146 533 H CB -2.131 27.664 29.762 0.055 0.000 1.330 533 H HN 0.408 nan 8.280 nan 0.000 0.379 534 F N 2.823 122.773 119.950 0.001 0.000 2.623 534 F HA 0.066 4.594 4.527 0.001 0.000 0.381 534 F C 0.559 176.360 175.800 0.002 0.000 1.081 534 F CA 0.417 58.372 58.000 -0.075 0.000 1.293 534 F CB 0.485 39.322 39.000 -0.272 0.000 1.006 534 F HN 0.165 nan 8.300 nan 0.000 0.578 535 D N 5.908 125.876 120.400 -0.719 0.000 2.542 535 D HA 0.182 4.823 4.640 0.001 0.000 0.252 535 D C 0.238 176.109 176.300 -0.714 0.000 1.222 535 D CA -0.487 53.190 54.000 -0.538 0.000 0.895 535 D CB 1.294 42.002 40.800 -0.153 0.000 1.207 535 D HN 0.637 nan 8.370 nan 0.000 0.558 536 K N 1.043 121.013 120.400 -0.717 0.000 2.442 536 K HA -0.003 4.318 4.320 0.001 0.000 0.198 536 K C 1.181 177.760 176.600 -0.036 0.000 1.042 536 K CA 0.462 56.540 56.287 -0.349 0.000 0.958 536 K CB 0.292 32.695 32.500 -0.163 0.000 0.766 536 K HN 0.209 nan 8.250 nan 0.000 0.474 537 S N 0.654 116.304 115.700 -0.084 0.000 2.527 537 S HA 0.032 4.503 4.470 0.001 0.000 0.222 537 S C 0.369 174.947 174.600 -0.037 0.000 0.985 537 S CA 0.519 58.698 58.200 -0.035 0.000 0.921 537 S CB 0.208 63.378 63.200 -0.051 0.000 0.772 537 S HN 0.238 nan 8.310 nan 0.000 0.529 538 K N 1.626 121.993 120.400 -0.055 0.000 2.098 538 K HA 0.307 4.628 4.320 0.001 0.000 0.261 538 K C -0.379 176.204 176.600 -0.028 0.000 0.987 538 K CA -0.504 55.706 56.287 -0.129 0.000 0.916 538 K CB 0.566 32.862 32.500 -0.340 0.000 1.039 538 K HN -0.141 nan 8.250 nan 0.000 0.455 539 K N 2.706 123.037 120.400 -0.114 0.000 2.263 539 K HA 0.246 4.567 4.320 0.001 0.000 0.272 539 K C -0.917 175.612 176.600 -0.118 0.000 1.033 539 K CA -0.319 55.955 56.287 -0.023 0.000 0.884 539 K CB 0.676 33.146 32.500 -0.049 0.000 1.107 539 K HN 0.460 nan 8.250 nan 0.000 0.460 540 Y N 3.182 123.516 120.300 0.056 0.000 2.387 540 Y HA 0.250 4.801 4.550 0.001 0.000 0.336 540 Y C -1.765 174.077 175.900 -0.095 0.000 1.067 540 Y CA -2.281 55.831 58.100 0.020 0.000 1.114 540 Y CB 1.310 39.852 38.460 0.138 0.000 1.208 540 Y HN 0.442 nan 8.280 nan 0.000 0.458 541 P HA 0.074 nan 4.420 nan 0.000 0.268 541 P C -0.967 176.203 177.300 -0.217 0.000 1.205 541 P CA 0.028 62.852 63.100 -0.460 0.000 0.771 541 P CB 1.185 32.269 31.700 -1.026 0.000 0.858 542 L N 3.697 124.826 121.223 -0.158 0.000 2.346 542 L HA 0.557 4.898 4.340 0.001 0.000 0.276 542 L C -1.008 176.053 176.870 0.319 0.000 1.006 542 L CA -1.186 53.708 54.840 0.090 0.000 0.817 542 L CB 1.680 43.801 42.059 0.103 0.000 1.272 542 L HN 0.165 nan 8.230 nan 0.000 0.421 543 L N 5.123 126.556 121.223 0.351 0.000 2.305 543 L HA 0.482 4.823 4.340 0.001 0.000 0.284 543 L C -1.201 175.917 176.870 0.413 0.000 1.013 543 L CA -0.364 54.741 54.840 0.441 0.000 0.819 543 L CB 1.563 43.843 42.059 0.368 0.000 1.227 543 L HN 0.571 nan 8.230 nan 0.000 0.417 544 L N 5.033 126.548 121.223 0.487 0.000 2.278 544 L HA 0.360 4.701 4.340 0.001 0.000 0.287 544 L C -0.391 176.717 176.870 0.397 0.000 1.072 544 L CA 0.316 55.425 54.840 0.448 0.000 0.819 544 L CB 0.452 42.809 42.059 0.496 0.000 1.176 544 L HN 0.591 nan 8.230 nan 0.000 0.435 545 D N 4.246 124.855 120.400 0.349 0.000 2.339 545 D HA 0.165 4.806 4.640 0.001 0.000 0.241 545 D C -0.973 175.407 176.300 0.134 0.000 1.183 545 D CA 0.090 54.214 54.000 0.208 0.000 0.859 545 D CB 1.245 42.231 40.800 0.310 0.000 1.067 545 D HN 0.319 nan 8.370 nan 0.000 0.484 546 V N 6.378 126.293 119.914 0.002 0.000 2.555 546 V HA 0.339 4.460 4.120 0.001 0.000 0.302 546 V C -0.583 175.615 176.094 0.174 0.000 1.038 546 V CA -0.489 61.889 62.300 0.130 0.000 0.887 546 V CB 1.809 33.720 31.823 0.146 0.000 0.991 546 V HN 0.664 nan 8.190 nan 0.000 0.434 547 Y N 5.629 126.006 120.300 0.129 0.000 2.972 547 Y HA 0.438 4.989 4.550 0.001 0.000 0.211 547 Y C 1.717 177.772 175.900 0.258 0.000 0.969 547 Y CA 0.349 58.557 58.100 0.180 0.000 1.574 547 Y CB 0.492 39.042 38.460 0.149 0.000 1.364 547 Y HN 0.807 nan 8.280 nan 0.000 0.467 548 A N 1.024 123.964 122.820 0.200 0.000 3.153 548 A HA -0.212 4.109 4.320 0.001 0.000 0.265 548 A C 0.755 178.212 177.584 -0.211 0.000 1.212 548 A CA 0.865 52.943 52.037 0.069 0.000 1.018 548 A CB -2.586 16.573 19.000 0.266 0.000 1.130 548 A HN 0.795 nan 8.150 nan 0.000 0.873 549 G N -0.764 107.650 108.800 -0.644 0.000 2.636 549 G HA2 0.458 4.419 3.960 0.001 0.000 0.246 549 G HA3 0.458 4.419 3.960 0.001 0.000 0.246 549 G C -2.205 172.207 174.900 -0.813 0.000 1.216 549 G CA -0.649 43.668 45.100 -1.304 0.000 0.854 549 G HN 0.289 nan 8.290 nan 0.000 0.572 550 P HA 0.049 nan 4.420 nan 0.000 0.261 550 P C 0.630 177.646 177.300 -0.473 0.000 1.183 550 P CA 0.153 62.851 63.100 -0.669 0.000 0.761 550 P CB 0.554 31.419 31.700 -1.392 0.000 0.785 551 C N 2.645 121.755 119.300 -0.317 0.000 4.417 551 C HA -0.158 4.303 4.460 0.001 0.000 0.284 551 C C 0.972 175.865 174.990 -0.162 0.000 1.379 551 C CA 1.140 59.968 59.018 -0.317 0.000 1.918 551 C CB -2.697 24.745 27.740 -0.497 0.000 1.280 551 C HN 0.781 nan 8.230 nan 0.000 0.783 552 S N 0.140 115.660 115.700 -0.300 0.000 2.603 552 S HA 0.529 5.000 4.470 0.001 0.000 0.268 552 S C -0.609 173.972 174.600 -0.032 0.000 1.317 552 S CA 0.078 58.056 58.200 -0.370 0.000 1.012 552 S CB 1.633 64.129 63.200 -1.175 0.000 0.926 552 S HN 0.782 nan 8.310 nan 0.000 0.539 553 Q N 0.258 120.150 119.800 0.153 0.000 2.275 553 Q HA 0.360 4.701 4.340 0.001 0.000 0.258 553 Q C -0.772 175.363 176.000 0.225 0.000 0.960 553 Q CA -0.613 55.328 55.803 0.230 0.000 0.801 553 Q CB 1.026 29.985 28.738 0.369 0.000 1.302 553 Q HN 0.701 nan 8.270 nan 0.000 0.433 554 K N 0.949 121.470 120.400 0.201 0.000 2.402 554 K HA 0.346 4.667 4.320 0.001 0.000 0.203 554 K C -0.506 176.213 176.600 0.197 0.000 1.077 554 K CA 0.236 56.652 56.287 0.215 0.000 1.051 554 K CB 1.677 34.324 32.500 0.246 0.000 0.907 554 K HN 0.500 nan 8.250 nan 0.000 0.554 555 A N 2.772 125.711 122.820 0.199 0.000 2.256 555 A HA 0.485 4.806 4.320 0.001 0.000 0.317 555 A C -0.848 176.817 177.584 0.135 0.000 1.318 555 A CA -0.410 51.748 52.037 0.201 0.000 0.894 555 A CB 0.170 19.348 19.000 0.298 0.000 1.165 555 A HN 0.252 nan 8.150 nan 0.000 0.525 556 D N -0.141 120.317 120.400 0.096 0.000 2.665 556 D HA 0.360 5.001 4.640 0.001 0.000 0.287 556 D C 0.206 176.530 176.300 0.041 0.000 1.266 556 D CA 0.233 54.278 54.000 0.074 0.000 0.830 556 D CB 0.302 41.160 40.800 0.095 0.000 1.356 556 D HN 0.195 nan 8.370 nan 0.000 0.437 557 T N -2.291 112.310 114.554 0.078 0.000 3.206 557 T HA 0.319 4.670 4.350 0.001 0.000 0.253 557 T C 0.375 175.057 174.700 -0.030 0.000 1.042 557 T CA -0.356 61.781 62.100 0.062 0.000 0.931 557 T CB -0.619 68.325 68.868 0.126 0.000 1.029 557 T HN 0.283 nan 8.240 nan 0.000 0.564 558 V N 2.769 122.554 119.914 -0.216 0.000 2.555 558 V HA 0.303 4.424 4.120 0.001 0.000 0.286 558 V C 0.130 176.168 176.094 -0.093 0.000 1.044 558 V CA -1.011 61.116 62.300 -0.288 0.000 1.026 558 V CB -0.083 31.438 31.823 -0.503 0.000 0.981 558 V HN 0.592 nan 8.190 nan 0.000 0.480 559 F N 6.927 126.789 119.950 -0.148 0.000 2.472 559 F HA 0.471 5.000 4.527 0.002 0.000 0.364 559 F C 0.591 176.339 175.800 -0.087 0.000 1.090 559 F CA -0.008 57.929 58.000 -0.105 0.000 1.188 559 F CB 0.151 39.096 39.000 -0.090 0.000 1.105 559 F HN 0.442 nan 8.300 nan 0.000 0.536 560 R N 6.276 126.297 120.500 -0.798 0.000 2.750 560 R HA 0.607 4.948 4.340 0.001 0.000 0.281 560 R C -1.561 174.293 176.300 -0.744 0.000 0.972 560 R CA -1.120 54.651 56.100 -0.549 0.000 0.912 560 R CB 2.114 32.258 30.300 -0.260 0.000 1.187 560 R HN 0.665 nan 8.270 nan 0.000 0.464 561 L N 3.840 124.841 121.223 -0.371 0.000 2.353 561 L HA 0.421 4.762 4.340 0.001 0.000 0.270 561 L C -0.807 176.035 176.870 -0.046 0.000 1.003 561 L CA -0.642 54.031 54.840 -0.277 0.000 0.862 561 L CB 0.797 42.837 42.059 -0.031 0.000 1.221 561 L HN 0.787 nan 8.230 nan 0.000 0.430 562 N N 0.316 118.895 118.700 -0.201 0.000 3.418 562 N HA 0.165 4.906 4.740 0.001 0.000 0.316 562 N C 0.157 175.277 175.510 -0.651 0.000 1.601 562 N CA -0.879 51.936 53.050 -0.392 0.000 0.805 562 N CB 0.185 38.584 38.487 -0.147 0.000 1.873 562 N HN 0.296 nan 8.380 nan 0.000 0.615 563 W N 0.745 121.416 121.300 -1.048 0.000 2.335 563 W HA 0.116 4.777 4.660 0.002 0.000 0.311 563 W C 2.127 178.597 176.519 -0.083 0.000 1.213 563 W CA 3.059 60.064 57.345 -0.567 0.000 1.274 563 W CB -1.068 28.201 29.460 -0.319 0.000 1.148 563 W HN 0.713 nan 8.180 nan 0.000 0.498 564 A N -0.357 122.418 122.820 -0.075 0.000 1.948 564 A HA -0.256 4.065 4.320 0.001 0.000 0.220 564 A C 1.949 179.423 177.584 -0.184 0.000 1.177 564 A CA 2.809 54.754 52.037 -0.154 0.000 0.636 564 A CB -1.365 17.629 19.000 -0.010 0.000 0.815 564 A HN 0.334 nan 8.150 nan 0.000 0.449 565 T N -1.290 113.156 114.554 -0.179 0.000 2.684 565 T HA -0.240 4.110 4.350 0.001 0.000 0.267 565 T C 1.794 176.499 174.700 0.009 0.000 1.036 565 T CA 1.733 63.698 62.100 -0.225 0.000 1.148 565 T CB -0.578 67.956 68.868 -0.557 0.000 0.863 565 T HN 0.694 nan 8.240 nan 0.000 0.436 566 Y N 1.930 122.313 120.300 0.138 0.000 2.181 566 Y HA -0.086 4.465 4.550 0.001 0.000 0.288 566 Y C 1.990 177.878 175.900 -0.019 0.000 1.146 566 Y CA 1.086 59.301 58.100 0.192 0.000 1.164 566 Y CB -0.552 38.018 38.460 0.183 0.000 0.982 566 Y HN 0.110 nan 8.280 nan 0.000 0.515 567 L N 0.196 121.064 121.223 -0.592 0.000 2.046 567 L HA -0.180 4.161 4.340 0.001 0.000 0.208 567 L C 2.859 179.504 176.870 -0.375 0.000 1.077 567 L CA 1.197 55.624 54.840 -0.688 0.000 0.747 567 L CB -0.896 40.791 42.059 -0.621 0.000 0.896 567 L HN 0.409 nan 8.230 nan 0.000 0.432 568 A N -1.248 121.423 122.820 -0.249 0.000 1.874 568 A HA -0.170 4.151 4.320 0.001 0.000 0.214 568 A C 2.518 180.039 177.584 -0.105 0.000 1.189 568 A CA 1.756 53.697 52.037 -0.160 0.000 0.615 568 A CB -0.591 18.309 19.000 -0.167 0.000 0.830 568 A HN 0.316 nan 8.150 nan 0.000 0.443 569 S N -1.329 114.322 115.700 -0.081 0.000 2.371 569 S HA -0.097 4.374 4.470 0.001 0.000 0.224 569 S C 1.971 176.584 174.600 0.022 0.000 1.029 569 S CA 2.188 60.394 58.200 0.008 0.000 0.978 569 S CB -0.305 62.958 63.200 0.104 0.000 0.833 569 S HN 0.583 nan 8.310 nan 0.000 0.466 570 T N 1.049 115.570 114.554 -0.055 0.000 3.004 570 T HA 0.190 4.541 4.350 0.001 0.000 0.243 570 T C 1.381 176.021 174.700 -0.099 0.000 1.020 570 T CA 0.428 62.509 62.100 -0.033 0.000 1.145 570 T CB -0.095 68.819 68.868 0.078 0.000 0.876 570 T HN 0.257 nan 8.240 nan 0.000 0.449 571 E N 1.346 121.387 120.200 -0.265 0.000 2.479 571 E HA 0.160 4.511 4.350 0.001 0.000 0.193 571 E C 0.054 176.634 176.600 -0.033 0.000 1.049 571 E CA -0.070 56.232 56.400 -0.165 0.000 0.870 571 E CB -0.391 29.142 29.700 -0.278 0.000 0.944 571 E HN 0.531 nan 8.360 nan 0.000 0.492 572 N N 0.554 119.252 118.700 -0.003 0.000 2.721 572 N HA -0.198 4.543 4.740 0.001 0.000 0.249 572 N C -0.807 174.811 175.510 0.181 0.000 1.072 572 N CA 0.141 53.270 53.050 0.133 0.000 0.710 572 N CB -1.151 37.462 38.487 0.209 0.000 0.993 572 N HN 0.195 nan 8.380 nan 0.000 0.547 573 I N 1.051 121.650 120.570 0.049 0.000 2.353 573 I HA 0.290 4.460 4.170 0.001 0.000 0.293 573 I C 0.757 176.866 176.117 -0.014 0.000 0.992 573 I CA -0.761 60.578 61.300 0.065 0.000 1.268 573 I CB 1.124 39.174 38.000 0.083 0.000 1.387 573 I HN 0.037 nan 8.210 nan 0.000 0.478 574 I N 6.640 127.205 120.570 -0.008 0.000 2.533 574 I HA 0.084 4.255 4.170 0.001 0.000 0.284 574 I C 0.011 176.121 176.117 -0.012 0.000 1.109 574 I CA -0.019 61.227 61.300 -0.089 0.000 1.412 574 I CB 0.911 38.855 38.000 -0.093 0.000 1.396 574 I HN 0.289 nan 8.210 nan 0.000 0.543 575 V N 7.360 127.251 119.914 -0.037 0.000 2.357 575 V HA 0.809 4.930 4.120 0.001 0.000 0.284 575 V C -0.008 176.118 176.094 0.054 0.000 1.018 575 V CA -0.127 62.203 62.300 0.051 0.000 0.841 575 V CB 1.159 33.009 31.823 0.044 0.000 0.991 575 V HN 0.809 nan 8.190 nan 0.000 0.437 576 A N 4.969 127.859 122.820 0.117 0.000 2.356 576 A HA 0.951 5.272 4.320 0.001 0.000 0.323 576 A C -0.162 177.594 177.584 0.286 0.000 1.119 576 A CA -0.559 51.550 52.037 0.120 0.000 0.790 576 A CB 2.024 20.967 19.000 -0.095 0.000 1.273 576 A HN 0.938 nan 8.150 nan 0.000 0.452 577 S N -0.266 115.639 115.700 0.342 0.000 2.570 577 S HA 0.806 5.277 4.470 0.001 0.000 0.286 577 S C -1.450 173.507 174.600 0.595 0.000 1.099 577 S CA -0.298 58.150 58.200 0.414 0.000 0.913 577 S CB 1.380 64.765 63.200 0.309 0.000 1.085 577 S HN 0.800 nan 8.310 nan 0.000 0.480 578 F N 1.563 121.751 119.950 0.397 0.000 2.581 578 F HA 0.472 5.000 4.527 0.001 0.000 0.311 578 F C -1.718 174.279 175.800 0.328 0.000 1.113 578 F CA -0.749 57.507 58.000 0.428 0.000 0.935 578 F CB 1.579 40.805 39.000 0.377 0.000 1.232 578 F HN 0.387 nan 8.300 nan 0.000 0.445 579 D N 4.586 124.729 120.400 -0.427 0.000 2.472 579 D HA 0.376 5.017 4.640 0.001 0.000 0.234 579 D C 0.380 176.364 176.300 -0.526 0.000 1.088 579 D CA 0.085 53.927 54.000 -0.263 0.000 0.882 579 D CB 1.438 42.247 40.800 0.015 0.000 1.037 579 D HN 0.769 nan 8.370 nan 0.000 0.520 580 G N 1.189 109.750 108.800 -0.397 0.000 2.773 580 G HA2 0.273 4.234 3.960 0.001 0.000 0.186 580 G HA3 0.273 4.234 3.960 0.001 0.000 0.186 580 G C 0.191 175.148 174.900 0.096 0.000 1.411 580 G CA -0.658 44.315 45.100 -0.212 0.000 1.054 580 G HN 0.269 nan 8.290 nan 0.000 0.579 581 R N -0.671 119.873 120.500 0.073 0.000 2.623 581 R HA 0.385 4.726 4.340 0.001 0.000 0.271 581 R C 1.253 177.635 176.300 0.137 0.000 1.043 581 R CA 1.269 57.474 56.100 0.176 0.000 1.083 581 R CB 0.565 30.952 30.300 0.145 0.000 0.974 581 R HN 1.011 nan 8.270 nan 0.000 0.436 582 G N 0.968 109.835 108.800 0.111 0.000 2.268 582 G HA2 -0.354 3.607 3.960 0.001 0.000 0.240 582 G HA3 -0.354 3.607 3.960 0.001 0.000 0.240 582 G C 0.235 175.107 174.900 -0.045 0.000 1.010 582 G CA 0.286 45.411 45.100 0.043 0.000 0.618 582 G HN 0.754 nan 8.290 nan 0.000 0.516 583 S N 0.547 116.230 115.700 -0.028 0.000 2.589 583 S HA 0.612 5.083 4.470 0.001 0.000 0.265 583 S C 0.872 175.405 174.600 -0.110 0.000 1.342 583 S CA 0.661 58.817 58.200 -0.073 0.000 1.005 583 S CB 1.583 64.778 63.200 -0.007 0.000 0.909 583 S HN 1.740 nan 8.310 nan 0.000 0.555 584 G N -0.573 108.126 108.800 -0.168 0.000 2.521 584 G HA2 0.504 4.465 3.960 0.001 0.000 0.323 584 G HA3 0.504 4.465 3.960 0.001 0.000 0.323 584 G C -0.848 173.912 174.900 -0.232 0.000 1.211 584 G CA -0.975 43.881 45.100 -0.407 0.000 0.979 584 G HN 1.099 nan 8.290 nan 0.000 0.490 585 Y N -2.464 117.820 120.300 -0.026 0.000 4.668 585 Y HA -0.236 4.315 4.550 0.002 0.000 0.234 585 Y C 1.343 177.238 175.900 -0.009 0.000 1.056 585 Y CA 1.022 59.117 58.100 -0.008 0.000 2.025 585 Y CB -2.062 36.416 38.460 0.030 0.000 1.613 585 Y HN 0.532 nan 8.280 nan 0.000 0.653 586 Q N 0.202 120.005 119.800 0.006 0.000 2.112 586 Q HA 0.500 4.841 4.340 0.001 0.000 0.222 586 Q C 0.899 176.757 176.000 -0.237 0.000 0.798 586 Q CA 0.184 55.994 55.803 0.012 0.000 1.060 586 Q CB 1.780 30.518 28.738 -0.001 0.000 1.184 586 Q HN 0.580 nan 8.270 nan 0.000 0.475 587 G N 0.787 109.315 108.800 -0.454 0.000 2.662 587 G HA2 -0.175 3.785 3.960 0.001 0.000 0.686 587 G HA3 -0.175 3.785 3.960 0.001 0.000 0.686 587 G C -0.523 173.989 174.900 -0.647 0.000 1.271 587 G CA -0.561 43.996 45.100 -0.905 0.000 0.816 587 G HN 0.110 nan 8.290 nan 0.000 0.608 588 D N -0.091 119.893 120.400 -0.694 0.000 2.269 588 D HA -0.042 4.599 4.640 0.001 0.000 0.208 588 D C 2.168 178.174 176.300 -0.490 0.000 0.963 588 D CA 1.223 54.764 54.000 -0.764 0.000 0.864 588 D CB 0.077 40.338 40.800 -0.899 0.000 0.936 588 D HN 0.609 nan 8.370 nan 0.000 0.505 589 K N 0.726 120.899 120.400 -0.378 0.000 2.032 589 K HA -0.114 4.206 4.320 0.001 0.000 0.209 589 K C 2.067 178.584 176.600 -0.138 0.000 1.048 589 K CA 0.919 57.080 56.287 -0.211 0.000 0.927 589 K CB -0.063 32.331 32.500 -0.176 0.000 0.712 589 K HN 0.057 nan 8.250 nan 0.000 0.441 590 I N 0.502 120.972 120.570 -0.167 0.000 2.193 590 I HA -0.244 3.926 4.170 0.001 0.000 0.240 590 I C 2.681 178.770 176.117 -0.046 0.000 1.084 590 I CA 1.167 62.434 61.300 -0.055 0.000 1.365 590 I CB -0.129 37.835 38.000 -0.060 0.000 1.064 590 I HN 0.322 nan 8.210 nan 0.000 0.410 591 M N -0.000 119.498 119.600 -0.170 0.000 2.132 591 M HA -0.236 4.245 4.480 0.001 0.000 0.263 591 M C 1.983 178.297 176.300 0.023 0.000 1.065 591 M CA 1.984 57.205 55.300 -0.131 0.000 1.122 591 M CB -0.331 32.091 32.600 -0.296 0.000 1.365 591 M HN 0.258 nan 8.290 nan 0.000 0.411 592 H N -0.622 118.327 119.070 -0.202 0.000 2.556 592 H HA 0.142 4.699 4.556 0.002 0.000 0.268 592 H C 1.871 177.211 175.328 0.021 0.000 0.996 592 H CA 0.126 56.064 56.048 -0.184 0.000 1.157 592 H CB 0.143 29.711 29.762 -0.324 0.000 1.355 592 H HN 0.542 nan 8.280 nan 0.000 0.597 593 A N 1.479 124.401 122.820 0.170 0.000 1.972 593 A HA -0.153 4.168 4.320 0.001 0.000 0.219 593 A C 1.908 179.689 177.584 0.329 0.000 1.169 593 A CA 1.313 53.478 52.037 0.214 0.000 0.635 593 A CB -0.383 18.718 19.000 0.169 0.000 0.810 593 A HN 0.416 nan 8.150 nan 0.000 0.446 594 I N -1.860 118.864 120.570 0.257 0.000 3.812 594 I HA 0.129 4.300 4.170 0.001 0.000 0.320 594 I C 0.379 176.549 176.117 0.089 0.000 1.276 594 I CA -1.207 60.186 61.300 0.155 0.000 1.164 594 I CB -1.628 36.433 38.000 0.101 0.000 1.009 594 I HN 0.245 nan 8.210 nan 0.000 0.431 595 N N 3.187 121.999 118.700 0.187 0.000 2.301 595 N HA -0.115 4.625 4.740 0.001 0.000 0.267 595 N C 0.263 175.782 175.510 0.015 0.000 1.304 595 N CA 0.398 53.554 53.050 0.176 0.000 0.851 595 N CB 0.220 38.791 38.487 0.139 0.000 1.070 595 N HN 0.369 nan 8.380 nan 0.000 0.483 596 R N 0.870 121.351 120.500 -0.033 0.000 3.954 596 R HA -0.137 4.204 4.340 0.001 0.000 0.422 596 R C -0.305 175.829 176.300 -0.277 0.000 1.091 596 R CA 0.841 56.875 56.100 -0.111 0.000 1.168 596 R CB -0.740 29.518 30.300 -0.069 0.000 1.752 596 R HN 0.672 nan 8.270 nan 0.000 0.547 597 R N 0.512 120.830 120.500 -0.302 0.000 2.635 597 R HA 0.253 4.593 4.340 0.001 0.000 0.393 597 R C -0.289 175.917 176.300 -0.158 0.000 1.070 597 R CA -0.260 55.501 56.100 -0.565 0.000 1.118 597 R CB 0.371 30.353 30.300 -0.531 0.000 1.341 597 R HN 0.088 nan 8.270 nan 0.000 0.628 598 L N 0.130 121.358 121.223 0.008 0.000 2.485 598 L HA 0.143 4.484 4.340 0.001 0.000 0.275 598 L C 1.347 178.497 176.870 0.466 0.000 1.207 598 L CA 1.023 55.965 54.840 0.170 0.000 0.855 598 L CB 0.277 42.255 42.059 -0.135 0.000 1.114 598 L HN 0.650 nan 8.230 nan 0.000 0.485 599 G N 1.053 110.156 108.800 0.504 0.000 2.137 599 G HA2 -0.267 3.694 3.960 0.001 0.000 0.237 599 G HA3 -0.267 3.694 3.960 0.001 0.000 0.237 599 G C 0.376 175.385 174.900 0.180 0.000 1.002 599 G CA 0.473 45.811 45.100 0.396 0.000 0.702 599 G HN 0.876 nan 8.290 nan 0.000 0.515 600 T N -3.770 110.847 114.554 0.105 0.000 2.995 600 T HA 0.493 4.844 4.350 0.001 0.000 0.170 600 T C 1.611 176.332 174.700 0.035 0.000 0.844 600 T CA 0.896 62.962 62.100 -0.058 0.000 1.137 600 T CB 0.021 68.656 68.868 -0.388 0.000 2.193 600 T HN 0.151 nan 8.240 nan 0.000 0.384 601 F N 3.407 123.407 119.950 0.083 0.000 2.171 601 F HA 0.089 4.617 4.527 0.002 0.000 0.300 601 F C 2.823 178.663 175.800 0.067 0.000 1.090 601 F CA 1.176 59.210 58.000 0.057 0.000 1.293 601 F CB -0.745 38.283 39.000 0.047 0.000 1.013 601 F HN 0.555 nan 8.300 nan 0.000 0.486 602 E N 0.798 121.167 120.200 0.281 0.000 2.153 602 E HA -0.133 4.218 4.350 0.001 0.000 0.194 602 E C 2.119 178.843 176.600 0.207 0.000 0.988 602 E CA 1.477 58.015 56.400 0.230 0.000 0.811 602 E CB -1.006 28.834 29.700 0.232 0.000 0.746 602 E HN 0.287 nan 8.360 nan 0.000 0.466 603 V N 1.946 121.962 119.914 0.171 0.000 2.283 603 V HA -0.221 3.899 4.120 0.001 0.000 0.243 603 V C 2.386 178.528 176.094 0.081 0.000 1.039 603 V CA 2.192 64.546 62.300 0.091 0.000 1.016 603 V CB -0.611 31.226 31.823 0.023 0.000 0.650 603 V HN 0.246 nan 8.190 nan 0.000 0.449 604 E N 0.122 120.386 120.200 0.106 0.000 2.118 604 E HA -0.254 4.097 4.350 0.001 0.000 0.195 604 E C 1.845 178.471 176.600 0.043 0.000 0.992 604 E CA 1.528 57.980 56.400 0.086 0.000 0.804 604 E CB -0.213 29.572 29.700 0.141 0.000 0.741 604 E HN 0.595 nan 8.360 nan 0.000 0.458 605 D N 0.319 120.763 120.400 0.073 0.000 2.183 605 D HA -0.105 4.536 4.640 0.001 0.000 0.203 605 D C 2.004 178.294 176.300 -0.017 0.000 0.969 605 D CA 0.657 54.679 54.000 0.036 0.000 0.842 605 D CB -0.087 40.812 40.800 0.165 0.000 0.957 605 D HN 0.063 nan 8.370 nan 0.000 0.484 606 Q N 0.233 120.096 119.800 0.105 0.000 2.124 606 Q HA -0.047 4.294 4.340 0.001 0.000 0.202 606 Q C 2.514 178.554 176.000 0.067 0.000 0.977 606 Q CA 0.608 56.475 55.803 0.107 0.000 0.850 606 Q CB -0.175 28.649 28.738 0.143 0.000 0.901 606 Q HN 0.421 nan 8.270 nan 0.000 0.429 607 I N 0.497 121.117 120.570 0.083 0.000 2.202 607 I HA -0.249 3.921 4.170 0.001 0.000 0.242 607 I C 2.408 178.470 176.117 -0.092 0.000 1.091 607 I CA 1.125 62.508 61.300 0.139 0.000 1.368 607 I CB -0.200 37.874 38.000 0.124 0.000 1.058 607 I HN 0.142 nan 8.210 nan 0.000 0.410 608 E N 1.540 121.633 120.200 -0.178 0.000 2.085 608 E HA -0.228 4.123 4.350 0.001 0.000 0.194 608 E C 2.115 178.394 176.600 -0.534 0.000 0.994 608 E CA 1.756 57.979 56.400 -0.295 0.000 0.801 608 E CB -0.249 29.298 29.700 -0.255 0.000 0.743 608 E HN 0.400 nan 8.360 nan 0.000 0.453 609 A N 0.984 123.321 122.820 -0.805 0.000 1.884 609 A HA -0.223 4.097 4.320 0.001 0.000 0.219 609 A C 2.513 179.260 177.584 -1.395 0.000 1.197 609 A CA 2.876 54.095 52.037 -1.363 0.000 0.637 609 A CB -1.371 16.727 19.000 -1.504 0.000 0.827 609 A HN 0.436 nan 8.150 nan 0.000 0.450 610 A N -0.684 121.713 122.820 -0.705 0.000 1.933 610 A HA -0.167 4.154 4.320 0.001 0.000 0.218 610 A C 2.228 179.576 177.584 -0.394 0.000 1.175 610 A CA 1.554 53.348 52.037 -0.405 0.000 0.628 610 A CB -0.484 18.359 19.000 -0.263 0.000 0.814 610 A HN 0.585 nan 8.150 nan 0.000 0.444 611 R N -0.564 119.705 120.500 -0.385 0.000 2.091 611 R HA -0.149 4.192 4.340 0.001 0.000 0.238 611 R C 2.423 178.542 176.300 -0.302 0.000 1.136 611 R CA 1.551 57.474 56.100 -0.295 0.000 0.959 611 R CB -0.342 29.816 30.300 -0.238 0.000 0.856 611 R HN 0.619 nan 8.270 nan 0.000 0.437 612 Q N -0.129 119.416 119.800 -0.424 0.000 2.084 612 Q HA -0.139 4.202 4.340 0.001 0.000 0.202 612 Q C 2.076 177.928 176.000 -0.246 0.000 0.978 612 Q CA 1.315 56.900 55.803 -0.363 0.000 0.844 612 Q CB -0.219 28.239 28.738 -0.466 0.000 0.898 612 Q HN 0.301 nan 8.270 nan 0.000 0.426 613 F N 1.444 121.208 119.950 -0.310 0.000 2.171 613 F HA -0.109 4.419 4.527 0.001 0.000 0.300 613 F C 2.587 178.167 175.800 -0.367 0.000 1.090 613 F CA 0.831 58.628 58.000 -0.338 0.000 1.293 613 F CB -1.081 37.770 39.000 -0.250 0.000 1.013 613 F HN -0.040 nan 8.300 nan 0.000 0.486 614 S N -0.330 115.299 115.700 -0.119 0.000 2.383 614 S HA -0.202 4.269 4.470 0.001 0.000 0.227 614 S C 1.960 176.445 174.600 -0.192 0.000 1.026 614 S CA 1.140 59.240 58.200 -0.167 0.000 0.981 614 S CB -0.347 62.759 63.200 -0.157 0.000 0.818 614 S HN 0.322 nan 8.310 nan 0.000 0.472 615 K N 0.816 121.108 120.400 -0.181 0.000 2.362 615 K HA 0.144 4.464 4.320 0.001 0.000 0.200 615 K C 1.834 178.331 176.600 -0.172 0.000 1.046 615 K CA 0.653 56.847 56.287 -0.155 0.000 0.952 615 K CB -0.141 32.278 32.500 -0.136 0.000 0.753 615 K HN 0.319 nan 8.250 nan 0.000 0.466 616 M N -1.186 118.254 119.600 -0.266 0.000 2.476 616 M HA 0.010 4.491 4.480 0.001 0.000 0.262 616 M C 1.175 177.222 176.300 -0.422 0.000 1.079 616 M CA 1.213 56.300 55.300 -0.356 0.000 1.104 616 M CB 0.441 32.709 32.600 -0.554 0.000 1.409 616 M HN 0.478 nan 8.290 nan 0.000 0.467 617 G N 0.557 109.128 108.800 -0.381 0.000 2.194 617 G HA2 -0.282 3.679 3.960 0.001 0.000 0.236 617 G HA3 -0.282 3.679 3.960 0.001 0.000 0.236 617 G C 0.402 175.266 174.900 -0.060 0.000 0.987 617 G CA 0.232 45.235 45.100 -0.162 0.000 0.635 617 G HN 0.622 nan 8.290 nan 0.000 0.520 618 F N -0.102 119.898 119.950 0.084 0.000 2.735 618 F HA 0.778 5.306 4.527 0.002 0.000 0.304 618 F C 0.039 175.949 175.800 0.182 0.000 1.119 618 F CA -1.049 57.038 58.000 0.146 0.000 1.280 618 F CB 0.445 39.581 39.000 0.227 0.000 0.994 618 F HN 0.050 nan 8.300 nan 0.000 0.520 619 V N 1.376 121.294 119.914 0.006 0.000 2.417 619 V HA 0.187 4.307 4.120 0.001 0.000 0.291 619 V C -0.586 175.497 176.094 -0.018 0.000 1.024 619 V CA -0.733 61.587 62.300 0.033 0.000 0.861 619 V CB 1.560 33.351 31.823 -0.052 0.000 0.985 619 V HN 0.110 nan 8.190 nan 0.000 0.436 620 D N 4.354 124.740 120.400 -0.023 0.000 2.348 620 D HA -0.011 4.630 4.640 0.001 0.000 0.259 620 D C 1.250 177.490 176.300 -0.101 0.000 1.296 620 D CA -0.019 53.934 54.000 -0.079 0.000 0.931 620 D CB 0.564 41.292 40.800 -0.121 0.000 1.067 620 D HN 0.668 nan 8.370 nan 0.000 0.503 621 N N 3.555 122.200 118.700 -0.091 0.000 2.515 621 N HA -0.132 4.609 4.740 0.001 0.000 0.185 621 N C 0.689 176.147 175.510 -0.087 0.000 1.109 621 N CA 0.468 53.456 53.050 -0.104 0.000 0.903 621 N CB 0.005 38.426 38.487 -0.111 0.000 0.969 621 N HN 0.344 nan 8.380 nan 0.000 0.450 622 K N -0.044 120.313 120.400 -0.071 0.000 2.432 622 K HA 0.125 4.446 4.320 0.001 0.000 0.196 622 K C 0.295 176.882 176.600 -0.022 0.000 1.038 622 K CA 0.427 56.690 56.287 -0.040 0.000 0.986 622 K CB 0.312 32.791 32.500 -0.034 0.000 0.782 622 K HN 0.158 nan 8.250 nan 0.000 0.485 623 R N 1.199 121.645 120.500 -0.090 0.000 2.681 623 R HA 0.333 4.674 4.340 0.001 0.000 0.277 623 R C -1.022 175.169 176.300 -0.182 0.000 1.563 623 R CA -0.138 55.864 56.100 -0.163 0.000 1.673 623 R CB 0.556 30.548 30.300 -0.512 0.000 1.258 623 R HN 0.004 nan 8.270 nan 0.000 0.650 624 I N 1.277 121.900 120.570 0.089 0.000 2.382 624 I HA 0.474 4.645 4.170 0.001 0.000 0.286 624 I C 0.117 176.527 176.117 0.489 0.000 1.002 624 I CA -0.673 60.732 61.300 0.176 0.000 1.135 624 I CB 1.834 39.770 38.000 -0.107 0.000 1.288 624 I HN 0.293 nan 8.210 nan 0.000 0.448 625 A N 7.041 130.278 122.820 0.696 0.000 2.288 625 A HA 0.916 5.237 4.320 0.001 0.000 0.328 625 A C -0.940 177.033 177.584 0.649 0.000 1.123 625 A CA -0.627 51.797 52.037 0.644 0.000 0.861 625 A CB 1.689 20.953 19.000 0.440 0.000 1.272 625 A HN 0.731 nan 8.150 nan 0.000 0.490 626 I N 0.658 121.506 120.570 0.462 0.000 2.656 626 I HA 0.693 4.863 4.170 0.001 0.000 0.292 626 I C -1.657 174.711 176.117 0.418 0.000 1.144 626 I CA -0.486 60.995 61.300 0.301 0.000 1.038 626 I CB 1.505 39.361 38.000 -0.240 0.000 1.244 626 I HN 0.912 nan 8.210 nan 0.000 0.420 627 W N 7.122 128.553 121.300 0.218 0.000 3.075 627 W HA 0.874 5.535 4.660 0.001 0.000 0.334 627 W C -1.260 175.404 176.519 0.242 0.000 1.243 627 W CA -0.785 56.696 57.345 0.227 0.000 1.170 627 W CB 1.030 30.675 29.460 0.309 0.000 1.452 627 W HN 0.858 nan 8.180 nan 0.000 0.572 628 G N 0.274 108.956 108.800 -0.197 0.000 2.441 628 G HA2 0.436 4.397 3.960 0.001 0.000 0.294 628 G HA3 0.436 4.397 3.960 0.001 0.000 0.294 628 G C -2.870 171.942 174.900 -0.147 0.000 1.393 628 G CA -0.778 44.004 45.100 -0.529 0.000 0.796 628 G HN 0.652 nan 8.290 nan 0.000 0.494 629 W N 0.621 121.747 121.300 -0.290 0.000 2.915 629 W HA 0.594 5.255 4.660 0.002 0.000 0.337 629 W C 0.717 177.180 176.519 -0.094 0.000 1.102 629 W CA 0.497 57.746 57.345 -0.159 0.000 1.224 629 W CB 1.685 31.042 29.460 -0.172 0.000 1.416 629 W HN 1.277 nan 8.180 nan 0.000 0.503 630 S N 1.717 117.617 115.700 0.334 0.000 4.118 630 S HA -0.419 4.052 4.470 0.001 0.000 0.624 630 S C 0.818 175.541 174.600 0.204 0.000 1.929 630 S CA 1.479 59.881 58.200 0.336 0.000 4.219 630 S CB -1.553 61.875 63.200 0.380 0.000 0.206 630 S HN 0.758 nan 8.310 nan 0.000 0.525 631 Y N 2.701 123.093 120.300 0.153 0.000 2.207 631 Y HA -0.065 4.486 4.550 0.002 0.000 0.287 631 Y C 2.424 178.529 175.900 0.341 0.000 1.156 631 Y CA 2.225 60.517 58.100 0.320 0.000 1.182 631 Y CB -0.866 37.909 38.460 0.525 0.000 0.979 631 Y HN 0.572 nan 8.280 nan 0.000 0.521 632 G N -1.202 107.852 108.800 0.425 0.000 2.471 632 G HA2 -0.176 3.785 3.960 0.001 0.000 0.219 632 G HA3 -0.176 3.785 3.960 0.001 0.000 0.219 632 G C 1.815 176.794 174.900 0.132 0.000 1.125 632 G CA 0.669 45.933 45.100 0.273 0.000 0.775 632 G HN 0.561 nan 8.290 nan 0.000 0.548 633 G N -0.163 108.704 108.800 0.111 0.000 2.403 633 G HA2 -0.180 3.781 3.960 0.001 0.000 0.216 633 G HA3 -0.180 3.781 3.960 0.001 0.000 0.216 633 G C 1.506 176.451 174.900 0.076 0.000 1.154 633 G CA 0.887 46.027 45.100 0.067 0.000 0.784 633 G HN 0.451 nan 8.290 nan 0.000 0.538 634 Y N 1.162 121.403 120.300 -0.098 0.000 2.097 634 Y HA -0.190 4.361 4.550 0.001 0.000 0.282 634 Y C 2.816 178.653 175.900 -0.104 0.000 1.152 634 Y CA 1.934 59.921 58.100 -0.189 0.000 1.136 634 Y CB -0.204 37.998 38.460 -0.430 0.000 0.975 634 Y HN 0.033 nan 8.280 nan 0.000 0.498 635 V N -0.169 119.652 119.914 -0.154 0.000 2.343 635 V HA -0.325 3.796 4.120 0.001 0.000 0.247 635 V C 2.286 178.287 176.094 -0.156 0.000 1.051 635 V CA 2.336 64.538 62.300 -0.164 0.000 1.036 635 V CB -1.160 30.741 31.823 0.129 0.000 0.654 635 V HN 0.513 nan 8.190 nan 0.000 0.451 636 T N 0.231 114.746 114.554 -0.065 0.000 2.635 636 T HA -0.229 4.122 4.350 0.001 0.000 0.267 636 T C 2.132 176.769 174.700 -0.106 0.000 1.040 636 T CA 2.187 64.248 62.100 -0.066 0.000 1.156 636 T CB -0.345 68.564 68.868 0.068 0.000 0.863 636 T HN 0.554 nan 8.240 nan 0.000 0.430 637 S N 1.159 116.837 115.700 -0.037 0.000 2.368 637 S HA -0.045 4.425 4.470 0.001 0.000 0.225 637 S C 2.146 176.660 174.600 -0.143 0.000 1.030 637 S CA 1.008 59.212 58.200 0.005 0.000 0.999 637 S CB -0.323 62.943 63.200 0.110 0.000 0.844 637 S HN 0.322 nan 8.310 nan 0.000 0.459 638 M N 0.923 120.355 119.600 -0.281 0.000 2.159 638 M HA -0.027 4.453 4.480 0.001 0.000 0.263 638 M C 2.199 178.338 176.300 -0.267 0.000 1.063 638 M CA 1.047 56.160 55.300 -0.311 0.000 1.110 638 M CB -1.363 30.951 32.600 -0.477 0.000 1.374 638 M HN 0.189 nan 8.290 nan 0.000 0.411 639 V N 0.569 120.314 119.914 -0.280 0.000 2.323 639 V HA -0.215 3.906 4.120 0.001 0.000 0.244 639 V C 2.466 178.362 176.094 -0.331 0.000 1.041 639 V CA 1.289 63.419 62.300 -0.284 0.000 1.025 639 V CB -0.582 30.994 31.823 -0.412 0.000 0.656 639 V HN 0.397 nan 8.190 nan 0.000 0.451 640 L N 0.489 121.441 121.223 -0.453 0.000 2.265 640 L HA -0.034 4.307 4.340 0.001 0.000 0.215 640 L C 2.208 178.498 176.870 -0.968 0.000 1.117 640 L CA 1.402 55.871 54.840 -0.618 0.000 0.782 640 L CB -0.719 40.924 42.059 -0.694 0.000 0.914 640 L HN 0.475 nan 8.230 nan 0.000 0.441 641 G N -1.221 107.028 108.800 -0.919 0.000 3.141 641 G HA2 -0.046 3.915 3.960 0.001 0.000 0.218 641 G HA3 -0.046 3.915 3.960 0.001 0.000 0.218 641 G C 1.523 176.265 174.900 -0.264 0.000 1.170 641 G CA 0.576 45.295 45.100 -0.634 0.000 0.769 641 G HN 0.429 nan 8.290 nan 0.000 0.546 642 S N -0.665 114.898 115.700 -0.228 0.000 2.470 642 S HA 0.289 4.760 4.470 0.001 0.000 0.225 642 S C 2.011 176.569 174.600 -0.069 0.000 1.006 642 S CA 1.112 59.245 58.200 -0.113 0.000 0.934 642 S CB -0.129 63.023 63.200 -0.080 0.000 0.778 642 S HN 1.356 nan 8.310 nan 0.000 0.517 643 G N 1.248 110.001 108.800 -0.079 0.000 2.143 643 G HA2 -0.351 3.610 3.960 0.001 0.000 0.249 643 G HA3 -0.351 3.610 3.960 0.001 0.000 0.249 643 G C 1.051 175.941 174.900 -0.017 0.000 0.981 643 G CA 1.031 46.107 45.100 -0.041 0.000 0.665 643 G HN 1.275 nan 8.290 nan 0.000 0.528 644 S N -0.516 115.184 115.700 -0.000 0.000 2.399 644 S HA 0.273 4.744 4.470 0.001 0.000 0.231 644 S C 2.632 177.233 174.600 0.002 0.000 1.022 644 S CA 1.900 60.109 58.200 0.015 0.000 0.983 644 S CB -0.339 62.898 63.200 0.062 0.000 0.803 644 S HN 2.456 nan 8.310 nan 0.000 0.480 645 G N -0.226 108.583 108.800 0.014 0.000 2.176 645 G HA2 -0.278 3.683 3.960 0.001 0.000 0.253 645 G HA3 -0.278 3.683 3.960 0.001 0.000 0.253 645 G C 0.766 175.647 174.900 -0.032 0.000 0.979 645 G CA 0.377 45.476 45.100 -0.003 0.000 0.641 645 G HN 0.696 nan 8.290 nan 0.000 0.530 646 V N -0.254 119.624 119.914 -0.060 0.000 2.488 646 V HA 0.276 4.397 4.120 0.001 0.000 0.246 646 V C 1.204 177.062 176.094 -0.393 0.000 1.046 646 V CA 1.423 63.552 62.300 -0.284 0.000 1.053 646 V CB -0.332 31.210 31.823 -0.468 0.000 0.679 646 V HN 0.295 nan 8.190 nan 0.000 0.458 647 F N 0.136 120.098 119.950 0.020 0.000 2.408 647 F HA 0.373 4.901 4.527 0.001 0.000 0.344 647 F C 1.146 176.993 175.800 0.077 0.000 1.112 647 F CA -0.470 57.571 58.000 0.068 0.000 1.096 647 F CB 1.275 40.317 39.000 0.070 0.000 1.129 647 F HN -0.222 nan 8.300 nan 0.000 0.486 648 K N 1.833 122.394 120.400 0.269 0.000 2.062 648 K HA 0.039 4.360 4.320 0.001 0.000 0.205 648 K C 0.049 176.793 176.600 0.240 0.000 1.051 648 K CA 1.149 57.565 56.287 0.216 0.000 0.941 648 K CB 0.210 32.847 32.500 0.228 0.000 0.719 648 K HN 0.822 nan 8.250 nan 0.000 0.440 649 c N -3.491 115.300 118.600 0.319 0.000 3.295 649 c HA 0.880 5.451 4.570 0.001 0.000 0.341 649 c C -0.372 173.965 174.090 0.411 0.000 1.418 649 c CA -0.455 56.083 56.329 0.349 0.000 1.240 649 c CB 1.083 43.747 42.510 0.258 0.000 1.562 649 c HN 0.389 nan 8.230 nan 0.000 0.457 650 G N -0.128 108.981 108.800 0.515 0.000 2.547 650 G HA2 0.651 4.612 3.960 0.001 0.000 0.291 650 G HA3 0.651 4.612 3.960 0.001 0.000 0.291 650 G C -2.088 173.042 174.900 0.382 0.000 1.471 650 G CA -0.666 44.700 45.100 0.442 0.000 0.798 650 G HN 1.087 nan 8.290 nan 0.000 0.504 651 I N 1.018 121.781 120.570 0.322 0.000 2.439 651 I HA 0.583 4.754 4.170 0.001 0.000 0.285 651 I C 0.350 176.601 176.117 0.223 0.000 1.021 651 I CA -0.895 60.480 61.300 0.126 0.000 1.091 651 I CB 2.071 40.112 38.000 0.068 0.000 1.242 651 I HN 0.659 nan 8.210 nan 0.000 0.439 652 A N 6.776 129.651 122.820 0.092 0.000 2.260 652 A HA 0.743 5.063 4.320 0.001 0.000 0.314 652 A C -0.474 177.032 177.584 -0.130 0.000 1.257 652 A CA -0.467 51.612 52.037 0.070 0.000 0.871 652 A CB 0.797 19.910 19.000 0.188 0.000 1.166 652 A HN 0.467 nan 8.150 nan 0.000 0.522 653 V N 2.257 122.031 119.914 -0.234 0.000 2.398 653 V HA 0.552 4.673 4.120 0.001 0.000 0.286 653 V C 1.000 176.661 176.094 -0.721 0.000 1.026 653 V CA 0.308 62.224 62.300 -0.641 0.000 0.868 653 V CB 0.749 31.850 31.823 -1.203 0.000 0.982 653 V HN 2.017 nan 8.190 nan 0.000 0.443 654 A N 5.464 127.837 122.820 -0.744 0.000 2.596 654 A HA -0.108 4.213 4.320 0.001 0.000 0.300 654 A C -1.670 175.773 177.584 -0.235 0.000 1.495 654 A CA 0.440 51.986 52.037 -0.819 0.000 0.769 654 A CB -1.625 16.993 19.000 -0.637 0.000 1.047 654 A HN 0.636 nan 8.150 nan 0.000 0.436 655 P HA 0.384 nan 4.420 nan 0.000 0.278 655 P C 0.276 177.560 177.300 -0.028 0.000 1.238 655 P CA -0.113 62.977 63.100 -0.017 0.000 0.794 655 P CB 1.204 32.917 31.700 0.021 0.000 0.955 656 V N 2.710 122.511 119.914 -0.187 0.000 2.740 656 V HA 0.003 4.124 4.120 0.001 0.000 0.303 656 V C 1.829 177.759 176.094 -0.273 0.000 1.054 656 V CA 1.124 63.165 62.300 -0.432 0.000 1.106 656 V CB 0.508 31.647 31.823 -1.140 0.000 0.957 656 V HN 0.818 nan 8.190 nan 0.000 0.486 657 S N 3.897 119.462 115.700 -0.226 0.000 2.564 657 S HA 0.246 4.717 4.470 0.001 0.000 0.231 657 S C 0.481 174.936 174.600 -0.243 0.000 1.067 657 S CA -0.349 57.782 58.200 -0.115 0.000 0.908 657 S CB 0.325 63.520 63.200 -0.009 0.000 0.809 657 S HN 0.851 nan 8.310 nan 0.000 0.491 658 R N -1.426 118.807 120.500 -0.445 0.000 2.643 658 R HA 0.503 4.844 4.340 0.001 0.000 0.269 658 R C -0.952 175.047 176.300 -0.501 0.000 1.037 658 R CA -0.948 54.836 56.100 -0.527 0.000 0.894 658 R CB -0.018 29.963 30.300 -0.531 0.000 1.238 658 R HN 0.129 nan 8.270 nan 0.000 0.459 659 W N 1.016 122.262 121.300 -0.090 0.000 2.465 659 W HA 0.016 4.677 4.660 0.001 0.000 0.268 659 W C 1.102 177.792 176.519 0.285 0.000 1.242 659 W CA 0.698 58.089 57.345 0.077 0.000 1.248 659 W CB 0.224 29.641 29.460 -0.071 0.000 1.118 659 W HN 0.746 nan 8.180 nan 0.000 0.587 660 E N -0.835 119.575 120.200 0.349 0.000 2.265 660 E HA -0.207 4.144 4.350 0.001 0.000 0.196 660 E C 1.406 178.188 176.600 0.304 0.000 0.996 660 E CA 1.061 57.591 56.400 0.217 0.000 0.832 660 E CB -0.464 29.253 29.700 0.028 0.000 0.756 660 E HN 0.337 nan 8.360 nan 0.000 0.491 661 Y N -1.287 119.118 120.300 0.175 0.000 2.516 661 Y HA 0.055 4.606 4.550 0.001 0.000 0.291 661 Y C 0.695 176.711 175.900 0.194 0.000 1.131 661 Y CA -0.279 57.895 58.100 0.123 0.000 1.281 661 Y CB -0.529 37.947 38.460 0.028 0.000 1.013 661 Y HN 0.038 nan 8.280 nan 0.000 0.554 662 Y N 1.615 122.098 120.300 0.305 0.000 2.458 662 Y HA 0.311 4.861 4.550 0.001 0.000 0.322 662 Y C 0.179 176.316 175.900 0.395 0.000 1.259 662 Y CA -2.232 56.057 58.100 0.315 0.000 1.302 662 Y CB 0.447 39.130 38.460 0.372 0.000 1.314 662 Y HN 0.151 nan 8.280 nan 0.000 0.509 663 D N -0.421 119.680 120.400 -0.498 0.000 2.382 663 D HA 0.096 4.736 4.640 0.001 0.000 0.240 663 D C 0.909 177.168 176.300 -0.069 0.000 1.146 663 D CA 0.352 54.124 54.000 -0.381 0.000 0.897 663 D CB 1.020 41.372 40.800 -0.746 0.000 1.197 663 D HN 0.493 nan 8.370 nan 0.000 0.432 664 S N 1.530 117.206 115.700 -0.040 0.000 2.356 664 S HA -0.266 4.205 4.470 0.001 0.000 0.223 664 S C 2.101 176.723 174.600 0.036 0.000 1.032 664 S CA 1.228 59.464 58.200 0.058 0.000 1.005 664 S CB -1.141 62.105 63.200 0.077 0.000 0.867 664 S HN 0.698 nan 8.310 nan 0.000 0.449 665 V N -0.039 119.840 119.914 -0.057 0.000 2.358 665 V HA -0.083 4.038 4.120 0.001 0.000 0.246 665 V C 2.108 178.095 176.094 -0.178 0.000 1.047 665 V CA 1.761 63.936 62.300 -0.210 0.000 1.035 665 V CB -1.166 30.297 31.823 -0.600 0.000 0.658 665 V HN 0.530 nan 8.190 nan 0.000 0.452 666 Y N 1.964 122.185 120.300 -0.132 0.000 2.109 666 Y HA -0.132 4.419 4.550 0.001 0.000 0.285 666 Y C 2.715 178.569 175.900 -0.077 0.000 1.131 666 Y CA 2.769 60.861 58.100 -0.013 0.000 1.121 666 Y CB -0.721 37.941 38.460 0.337 0.000 0.987 666 Y HN 0.306 nan 8.280 nan 0.000 0.495 667 T N 0.355 115.059 114.554 0.250 0.000 2.708 667 T HA -0.196 4.155 4.350 0.001 0.000 0.266 667 T C 1.551 176.186 174.700 -0.109 0.000 1.037 667 T CA 1.977 64.168 62.100 0.152 0.000 1.146 667 T CB -0.289 68.856 68.868 0.462 0.000 0.865 667 T HN 0.448 nan 8.240 nan 0.000 0.435 668 E N 0.477 120.647 120.200 -0.051 0.000 2.274 668 E HA -0.025 4.326 4.350 0.001 0.000 0.194 668 E C 2.327 178.784 176.600 -0.237 0.000 0.996 668 E CA 0.239 56.612 56.400 -0.045 0.000 0.840 668 E CB -0.093 29.638 29.700 0.051 0.000 0.772 668 E HN 0.308 nan 8.360 nan 0.000 0.491 669 R N 0.153 120.339 120.500 -0.524 0.000 2.139 669 R HA -0.201 4.140 4.340 0.001 0.000 0.243 669 R C 1.070 176.825 176.300 -0.908 0.000 1.145 669 R CA 1.578 57.178 56.100 -0.835 0.000 0.976 669 R CB 0.047 29.483 30.300 -1.441 0.000 0.866 669 R HN 0.260 nan 8.270 nan 0.000 0.449 670 Y N -2.544 117.442 120.300 -0.524 0.000 2.535 670 Y HA 0.215 4.766 4.550 0.001 0.000 0.264 670 Y C 1.765 177.465 175.900 -0.333 0.000 1.087 670 Y CA -0.041 57.742 58.100 -0.528 0.000 1.285 670 Y CB 0.311 38.313 38.460 -0.763 0.000 1.200 670 Y HN -0.079 nan 8.280 nan 0.000 0.514 671 M N -0.311 119.169 119.600 -0.201 0.000 2.367 671 M HA 0.355 4.836 4.480 0.001 0.000 0.256 671 M C 1.189 177.495 176.300 0.011 0.000 1.091 671 M CA 0.820 55.997 55.300 -0.206 0.000 1.049 671 M CB -0.486 31.801 32.600 -0.523 0.000 1.406 671 M HN 0.368 nan 8.290 nan 0.000 0.498 672 G N 1.823 110.644 108.800 0.034 0.000 2.575 672 G HA2 -0.224 3.737 3.960 0.001 0.000 0.267 672 G HA3 -0.224 3.737 3.960 0.001 0.000 0.267 672 G C -0.476 174.558 174.900 0.223 0.000 1.264 672 G CA -0.723 44.439 45.100 0.103 0.000 0.935 672 G HN 0.249 nan 8.290 nan 0.000 0.568 673 L N 2.355 123.683 121.223 0.175 0.000 2.325 673 L HA 0.464 4.805 4.340 0.001 0.000 0.279 673 L C -1.425 175.465 176.870 0.033 0.000 1.054 673 L CA -1.859 53.040 54.840 0.099 0.000 0.804 673 L CB 1.138 43.216 42.059 0.033 0.000 1.200 673 L HN 0.447 nan 8.230 nan 0.000 0.436 674 P HA 0.078 nan 4.420 nan 0.000 0.225 674 P C -0.291 176.882 177.300 -0.211 0.000 1.768 674 P CA -0.091 62.652 63.100 -0.596 0.000 0.943 674 P CB -0.461 30.573 31.700 -1.111 0.000 1.936 675 T N -3.217 111.295 114.554 -0.070 0.000 2.932 675 T HA 0.481 4.832 4.350 0.001 0.000 0.289 675 T C -2.204 172.500 174.700 0.007 0.000 1.039 675 T CA -2.489 59.593 62.100 -0.030 0.000 1.024 675 T CB 1.740 70.599 68.868 -0.016 0.000 1.090 675 T HN -0.285 nan 8.240 nan 0.000 0.496 676 P HA -0.008 nan 4.420 nan 0.000 0.221 676 P C 0.792 178.108 177.300 0.026 0.000 1.145 676 P CA 0.857 63.970 63.100 0.022 0.000 0.795 676 P CB 0.062 31.771 31.700 0.015 0.000 0.775 677 E N -1.593 118.619 120.200 0.020 0.000 2.481 677 E HA -0.038 4.313 4.350 0.001 0.000 0.195 677 E C 1.145 177.762 176.600 0.028 0.000 1.047 677 E CA 0.540 56.952 56.400 0.019 0.000 0.867 677 E CB -0.201 29.506 29.700 0.011 0.000 0.858 677 E HN 0.267 nan 8.360 nan 0.000 0.513 678 D N -0.978 119.447 120.400 0.042 0.000 3.041 678 D HA 0.074 4.715 4.640 0.001 0.000 0.201 678 D C 0.124 176.479 176.300 0.092 0.000 1.432 678 D CA 0.069 54.105 54.000 0.060 0.000 1.469 678 D CB -0.031 40.806 40.800 0.063 0.000 1.051 678 D HN -0.049 nan 8.370 nan 0.000 0.203 679 N N 0.016 118.806 118.700 0.149 0.000 2.299 679 N HA 0.117 4.858 4.740 0.001 0.000 0.246 679 N C 1.005 176.716 175.510 0.335 0.000 1.254 679 N CA -0.072 53.113 53.050 0.225 0.000 0.879 679 N CB 0.271 38.900 38.487 0.237 0.000 1.214 679 N HN 0.103 nan 8.380 nan 0.000 0.510 680 L N 0.532 121.880 121.223 0.207 0.000 2.043 680 L HA -0.145 4.195 4.340 0.001 0.000 0.212 680 L C 1.152 178.140 176.870 0.198 0.000 1.075 680 L CA 2.010 56.952 54.840 0.170 0.000 0.752 680 L CB -0.400 41.690 42.059 0.052 0.000 0.891 680 L HN 0.149 nan 8.230 nan 0.000 0.432 681 D N -1.607 118.885 120.400 0.154 0.000 2.123 681 D HA -0.255 4.386 4.640 0.001 0.000 0.196 681 D C 2.082 178.471 176.300 0.149 0.000 0.992 681 D CA 1.808 55.884 54.000 0.127 0.000 0.833 681 D CB -0.223 40.638 40.800 0.103 0.000 0.954 681 D HN 0.599 nan 8.370 nan 0.000 0.455 682 H N -0.993 118.140 119.070 0.105 0.000 2.428 682 H HA -0.056 4.501 4.556 0.001 0.000 0.296 682 H C 1.694 177.080 175.328 0.096 0.000 1.062 682 H CA 1.142 57.229 56.048 0.065 0.000 1.350 682 H CB -0.234 29.530 29.762 0.003 0.000 1.403 682 H HN 0.110 nan 8.280 nan 0.000 0.533 683 Y N 0.363 120.690 120.300 0.044 0.000 2.151 683 Y HA -0.233 4.318 4.550 0.002 0.000 0.284 683 Y C 2.413 178.294 175.900 -0.032 0.000 1.166 683 Y CA 1.613 59.737 58.100 0.040 0.000 1.163 683 Y CB 0.056 38.559 38.460 0.071 0.000 0.974 683 Y HN 0.138 nan 8.280 nan 0.000 0.511 684 R N -0.187 120.394 120.500 0.135 0.000 2.148 684 R HA -0.069 4.272 4.340 0.001 0.000 0.223 684 R C 1.587 177.878 176.300 -0.015 0.000 1.088 684 R CA 0.753 56.881 56.100 0.046 0.000 0.985 684 R CB -0.771 29.558 30.300 0.047 0.000 0.880 684 R HN 0.491 nan 8.270 nan 0.000 0.451 685 N N 0.565 119.225 118.700 -0.068 0.000 2.446 685 N HA -0.053 4.688 4.740 0.001 0.000 0.179 685 N C 0.311 175.722 175.510 -0.164 0.000 1.054 685 N CA 0.812 53.798 53.050 -0.106 0.000 0.905 685 N CB 0.314 38.749 38.487 -0.086 0.000 0.973 685 N HN 0.126 nan 8.380 nan 0.000 0.448 686 S N -0.173 115.390 115.700 -0.229 0.000 2.561 686 S HA 0.067 4.537 4.470 0.001 0.000 0.245 686 S C 0.508 175.150 174.600 0.070 0.000 1.001 686 S CA -0.771 57.365 58.200 -0.106 0.000 1.002 686 S CB -0.076 63.013 63.200 -0.185 0.000 0.805 686 S HN 0.137 nan 8.310 nan 0.000 0.458 687 T N -1.363 113.188 114.554 -0.005 0.000 2.913 687 T HA 0.452 4.803 4.350 0.001 0.000 0.287 687 T C 1.298 175.993 174.700 -0.008 0.000 1.008 687 T CA -0.166 61.922 62.100 -0.020 0.000 1.067 687 T CB 1.519 70.343 68.868 -0.073 0.000 0.996 687 T HN 0.392 nan 8.240 nan 0.000 0.513 688 V N 2.383 122.289 119.914 -0.013 0.000 2.719 688 V HA -0.021 4.100 4.120 0.001 0.000 0.252 688 V C 2.161 178.225 176.094 -0.050 0.000 1.065 688 V CA 1.334 63.617 62.300 -0.028 0.000 1.086 688 V CB -1.099 30.705 31.823 -0.032 0.000 0.700 688 V HN 0.865 nan 8.190 nan 0.000 0.467 689 M N 2.260 121.816 119.600 -0.074 0.000 2.108 689 M HA -0.132 4.349 4.480 0.001 0.000 0.261 689 M C 2.416 178.688 176.300 -0.048 0.000 1.066 689 M CA 2.449 57.699 55.300 -0.084 0.000 1.107 689 M CB -0.956 31.608 32.600 -0.061 0.000 1.356 689 M HN 0.728 nan 8.290 nan 0.000 0.406 690 S N -0.474 115.210 115.700 -0.027 0.000 2.507 690 S HA -0.058 4.413 4.470 0.001 0.000 0.235 690 S C 1.670 176.276 174.600 0.011 0.000 0.988 690 S CA 0.610 58.804 58.200 -0.010 0.000 0.944 690 S CB -0.446 62.747 63.200 -0.011 0.000 0.762 690 S HN 0.528 nan 8.310 nan 0.000 0.526 691 R N 0.531 121.052 120.500 0.035 0.000 2.427 691 R HA 0.473 4.814 4.340 0.001 0.000 0.262 691 R C 2.028 178.443 176.300 0.191 0.000 0.943 691 R CA 0.401 56.551 56.100 0.083 0.000 1.081 691 R CB -0.186 30.160 30.300 0.076 0.000 1.166 691 R HN 0.452 nan 8.270 nan 0.000 0.534 692 A N 1.601 124.476 122.820 0.092 0.000 1.917 692 A HA -0.291 4.029 4.320 0.001 0.000 0.219 692 A C 2.081 179.749 177.584 0.140 0.000 1.182 692 A CA 1.990 54.050 52.037 0.038 0.000 0.633 692 A CB -0.247 18.708 19.000 -0.075 0.000 0.819 692 A HN 0.327 nan 8.150 nan 0.000 0.448 693 E N 0.690 120.948 120.200 0.097 0.000 2.110 693 E HA -0.174 4.177 4.350 0.001 0.000 0.193 693 E C 1.618 178.278 176.600 0.101 0.000 0.988 693 E CA 1.644 58.094 56.400 0.084 0.000 0.804 693 E CB -0.287 29.444 29.700 0.051 0.000 0.745 693 E HN 0.606 nan 8.360 nan 0.000 0.458 694 N N -0.377 118.379 118.700 0.092 0.000 2.520 694 N HA -0.106 4.635 4.740 0.001 0.000 0.185 694 N C 0.891 176.388 175.510 -0.021 0.000 1.068 694 N CA 0.561 53.620 53.050 0.015 0.000 0.911 694 N CB -0.200 38.253 38.487 -0.057 0.000 0.961 694 N HN 0.240 nan 8.380 nan 0.000 0.446 695 F N 1.659 121.568 119.950 -0.068 0.000 2.546 695 F HA 0.018 4.546 4.527 0.001 0.000 0.298 695 F C 1.964 177.776 175.800 0.019 0.000 1.120 695 F CA 0.639 58.595 58.000 -0.072 0.000 1.456 695 F CB -0.017 38.892 39.000 -0.152 0.000 1.088 695 F HN -0.064 nan 8.300 nan 0.000 0.572 696 K N -0.037 120.470 120.400 0.178 0.000 2.360 696 K HA -0.194 4.127 4.320 0.001 0.000 0.201 696 K C 1.483 178.143 176.600 0.099 0.000 1.046 696 K CA 1.092 57.460 56.287 0.134 0.000 0.940 696 K CB -0.232 32.328 32.500 0.099 0.000 0.748 696 K HN 0.442 nan 8.250 nan 0.000 0.465 697 Q N 0.359 120.194 119.800 0.059 0.000 2.360 697 Q HA 0.041 4.382 4.340 0.001 0.000 0.202 697 Q C 0.145 176.174 176.000 0.049 0.000 0.915 697 Q CA 0.041 55.865 55.803 0.035 0.000 0.943 697 Q CB 0.710 29.446 28.738 -0.004 0.000 1.064 697 Q HN 0.134 nan 8.270 nan 0.000 0.511 698 V N -3.250 116.711 119.914 0.078 0.000 3.159 698 V HA 0.458 4.579 4.120 0.001 0.000 0.308 698 V C -1.272 174.959 176.094 0.228 0.000 1.190 698 V CA -1.336 61.038 62.300 0.124 0.000 1.037 698 V CB 2.262 34.110 31.823 0.041 0.000 1.060 698 V HN -0.024 nan 8.190 nan 0.000 0.437 699 E N 1.798 122.166 120.200 0.280 0.000 2.167 699 E HA 0.433 4.784 4.350 0.001 0.000 0.284 699 E C -1.769 175.219 176.600 0.647 0.000 1.016 699 E CA -0.357 56.287 56.400 0.407 0.000 0.817 699 E CB 1.536 31.405 29.700 0.281 0.000 1.080 699 E HN 0.664 nan 8.360 nan 0.000 0.397 700 Y N 3.297 123.877 120.300 0.465 0.000 2.364 700 Y HA 0.433 4.984 4.550 0.001 0.000 0.340 700 Y C -1.499 174.483 175.900 0.137 0.000 0.975 700 Y CA -1.646 56.662 58.100 0.345 0.000 1.089 700 Y CB 1.074 39.776 38.460 0.403 0.000 1.192 700 Y HN 0.411 nan 8.280 nan 0.000 0.454 701 L N 7.691 128.639 121.223 -0.458 0.000 2.319 701 L HA 0.589 4.929 4.340 0.001 0.000 0.281 701 L C -2.090 174.331 176.870 -0.749 0.000 1.005 701 L CA -0.757 53.645 54.840 -0.729 0.000 0.828 701 L CB 1.259 42.549 42.059 -1.282 0.000 1.227 701 L HN 0.625 nan 8.230 nan 0.000 0.415 702 L N 6.750 127.602 121.223 -0.618 0.000 2.313 702 L HA 0.699 5.040 4.340 0.001 0.000 0.283 702 L C -1.157 175.577 176.870 -0.226 0.000 1.013 702 L CA -0.041 54.487 54.840 -0.520 0.000 0.816 702 L CB 1.164 42.915 42.059 -0.514 0.000 1.236 702 L HN 0.570 nan 8.230 nan 0.000 0.419 703 I N 4.568 125.018 120.570 -0.199 0.000 2.533 703 I HA 0.430 4.601 4.170 0.001 0.000 0.290 703 I C -1.203 174.873 176.117 -0.068 0.000 1.056 703 I CA -0.693 60.541 61.300 -0.111 0.000 1.057 703 I CB 1.948 39.841 38.000 -0.178 0.000 1.240 703 I HN 0.673 nan 8.210 nan 0.000 0.423 704 H N 2.498 121.610 119.070 0.070 0.000 3.029 704 H HA 0.494 5.051 4.556 0.002 0.000 0.358 704 H C -0.203 175.352 175.328 0.379 0.000 1.129 704 H CA -0.502 55.639 56.048 0.155 0.000 1.230 704 H CB 2.143 31.949 29.762 0.073 0.000 1.827 704 H HN 0.762 nan 8.280 nan 0.000 0.530 705 G N 1.185 110.292 108.800 0.512 0.000 2.380 705 G HA2 0.171 4.132 3.960 0.001 0.000 0.262 705 G HA3 0.171 4.132 3.960 0.001 0.000 0.262 705 G C 1.167 176.353 174.900 0.477 0.000 1.243 705 G CA 0.154 45.539 45.100 0.475 0.000 0.865 705 G HN 0.772 nan 8.290 nan 0.000 0.513 706 T N -0.364 114.332 114.554 0.235 0.000 2.915 706 T HA 0.026 4.377 4.350 0.001 0.000 0.269 706 T C 1.715 176.393 174.700 -0.035 0.000 1.071 706 T CA 1.312 63.359 62.100 -0.088 0.000 1.132 706 T CB 0.112 68.845 68.868 -0.225 0.000 0.878 706 T HN 0.707 nan 8.240 nan 0.000 0.479 707 A N 1.189 124.064 122.820 0.091 0.000 2.833 707 A HA 0.333 4.654 4.320 0.001 0.000 0.293 707 A C 0.285 177.850 177.584 -0.032 0.000 1.338 707 A CA -0.528 51.539 52.037 0.051 0.000 0.959 707 A CB -0.376 18.922 19.000 0.496 0.000 1.094 707 A HN 0.374 nan 8.150 nan 0.000 0.569 708 D N 1.285 121.664 120.400 -0.034 0.000 2.336 708 D HA 0.045 4.686 4.640 0.001 0.000 0.249 708 D C 0.349 176.625 176.300 -0.040 0.000 1.213 708 D CA -0.057 54.030 54.000 0.145 0.000 0.870 708 D CB 0.793 41.838 40.800 0.409 0.000 1.076 708 D HN 0.539 nan 8.370 nan 0.000 0.483 709 D N 2.208 122.642 120.400 0.056 0.000 2.333 709 D HA -0.096 4.545 4.640 0.001 0.000 0.208 709 D C 1.047 177.336 176.300 -0.018 0.000 0.984 709 D CA 0.108 54.089 54.000 -0.032 0.000 0.873 709 D CB 0.271 40.972 40.800 -0.164 0.000 0.935 709 D HN 0.447 nan 8.370 nan 0.000 0.521 710 N N 0.213 119.017 118.700 0.173 0.000 2.335 710 N HA -0.069 4.672 4.740 0.001 0.000 0.197 710 N C 0.257 175.745 175.510 -0.037 0.000 1.045 710 N CA 0.296 53.496 53.050 0.249 0.000 0.928 710 N CB 0.756 39.364 38.487 0.203 0.000 1.118 710 N HN -0.037 nan 8.380 nan 0.000 0.471 711 V N 2.130 122.061 119.914 0.028 0.000 2.333 711 V HA 0.307 4.427 4.120 0.001 0.000 0.274 711 V C -1.193 175.006 176.094 0.176 0.000 1.028 711 V CA -0.637 61.701 62.300 0.063 0.000 0.851 711 V CB 0.090 31.989 31.823 0.127 0.000 1.000 711 V HN 0.312 nan 8.190 nan 0.000 0.456 712 H N 5.140 124.209 119.070 -0.002 0.000 2.732 712 H HA 0.124 4.681 4.556 0.001 0.000 0.351 712 H C 0.579 175.755 175.328 -0.253 0.000 1.090 712 H CA 0.507 56.458 56.048 -0.161 0.000 1.431 712 H CB 0.902 30.485 29.762 -0.298 0.000 1.447 712 H HN 0.799 nan 8.280 nan 0.000 0.582 713 F N 2.284 122.021 119.950 -0.355 0.000 2.141 713 F HA -0.369 4.159 4.527 0.001 0.000 0.300 713 F C 2.615 178.119 175.800 -0.493 0.000 1.079 713 F CA 2.012 59.593 58.000 -0.699 0.000 1.264 713 F CB -0.195 38.603 39.000 -0.336 0.000 1.011 713 F HN 0.691 nan 8.300 nan 0.000 0.487 714 Q N 0.099 119.761 119.800 -0.231 0.000 2.188 714 Q HA -0.379 3.961 4.340 0.001 0.000 0.217 714 Q C 2.133 177.894 176.000 -0.398 0.000 1.018 714 Q CA 2.699 58.317 55.803 -0.308 0.000 0.910 714 Q CB -0.418 28.125 28.738 -0.325 0.000 0.979 714 Q HN 0.635 nan 8.270 nan 0.000 0.413 715 Q N -0.589 119.017 119.800 -0.324 0.000 2.061 715 Q HA -0.130 4.211 4.340 0.001 0.000 0.204 715 Q C 2.279 178.180 176.000 -0.165 0.000 0.984 715 Q CA 1.775 57.512 55.803 -0.111 0.000 0.846 715 Q CB -0.142 28.613 28.738 0.028 0.000 0.902 715 Q HN 0.336 nan 8.270 nan 0.000 0.421 716 S N 0.629 116.115 115.700 -0.357 0.000 2.414 716 S HA 0.003 4.474 4.470 0.001 0.000 0.227 716 S C 2.044 176.397 174.600 -0.411 0.000 1.022 716 S CA 0.688 58.688 58.200 -0.333 0.000 0.958 716 S CB -0.090 62.919 63.200 -0.319 0.000 0.797 716 S HN 0.465 nan 8.310 nan 0.000 0.493 717 A N 1.433 123.902 122.820 -0.585 0.000 1.940 717 A HA -0.142 4.179 4.320 0.001 0.000 0.219 717 A C 2.110 179.587 177.584 -0.178 0.000 1.176 717 A CA 1.174 53.001 52.037 -0.350 0.000 0.631 717 A CB -0.398 18.447 19.000 -0.259 0.000 0.814 717 A HN 0.375 nan 8.150 nan 0.000 0.446 718 Q N -0.553 119.151 119.800 -0.159 0.000 2.187 718 Q HA 0.011 4.352 4.340 0.001 0.000 0.199 718 Q C 2.097 178.043 176.000 -0.090 0.000 0.957 718 Q CA 0.923 56.689 55.803 -0.062 0.000 0.857 718 Q CB -0.297 28.484 28.738 0.072 0.000 0.929 718 Q HN 0.787 nan 8.270 nan 0.000 0.453 719 I N 1.198 121.684 120.570 -0.140 0.000 2.142 719 I HA -0.297 3.874 4.170 0.001 0.000 0.240 719 I C 2.596 178.530 176.117 -0.304 0.000 1.078 719 I CA 1.559 62.724 61.300 -0.224 0.000 1.343 719 I CB -0.517 37.352 38.000 -0.219 0.000 1.046 719 I HN 0.177 nan 8.210 nan 0.000 0.405 720 S N 0.944 116.488 115.700 -0.258 0.000 2.370 720 S HA -0.295 4.176 4.470 0.001 0.000 0.226 720 S C 2.041 176.612 174.600 -0.048 0.000 1.033 720 S CA 1.603 59.687 58.200 -0.194 0.000 1.011 720 S CB -0.508 62.763 63.200 0.118 0.000 0.852 720 S HN 0.377 nan 8.310 nan 0.000 0.457 721 K N 1.764 122.141 120.400 -0.038 0.000 2.057 721 K HA 0.004 4.325 4.320 0.001 0.000 0.207 721 K C 2.311 178.892 176.600 -0.031 0.000 1.049 721 K CA 1.233 57.515 56.287 -0.007 0.000 0.931 721 K CB -0.722 31.771 32.500 -0.013 0.000 0.714 721 K HN 0.452 nan 8.250 nan 0.000 0.440 722 A N 1.034 123.803 122.820 -0.085 0.000 1.933 722 A HA -0.106 4.215 4.320 0.001 0.000 0.218 722 A C 2.098 179.616 177.584 -0.110 0.000 1.175 722 A CA 1.310 53.292 52.037 -0.092 0.000 0.628 722 A CB -0.587 18.342 19.000 -0.119 0.000 0.814 722 A HN 0.321 nan 8.150 nan 0.000 0.444 723 L N -0.675 120.428 121.223 -0.199 0.000 2.056 723 L HA -0.145 4.195 4.340 0.001 0.000 0.207 723 L C 2.519 179.411 176.870 0.036 0.000 1.078 723 L CA 1.047 55.778 54.840 -0.183 0.000 0.749 723 L CB -0.707 41.039 42.059 -0.522 0.000 0.901 723 L HN 0.231 nan 8.230 nan 0.000 0.433 724 V N -0.032 119.947 119.914 0.108 0.000 2.332 724 V HA -0.300 3.821 4.120 0.001 0.000 0.248 724 V C 2.051 178.189 176.094 0.074 0.000 1.055 724 V CA 1.918 64.304 62.300 0.143 0.000 1.038 724 V CB -0.524 31.383 31.823 0.139 0.000 0.651 724 V HN 0.437 nan 8.190 nan 0.000 0.450 725 D N 0.129 120.552 120.400 0.039 0.000 2.219 725 D HA -0.096 4.545 4.640 0.001 0.000 0.205 725 D C 1.817 178.135 176.300 0.029 0.000 0.970 725 D CA 1.634 55.650 54.000 0.027 0.000 0.851 725 D CB -0.027 40.780 40.800 0.012 0.000 0.943 725 D HN 0.565 nan 8.370 nan 0.000 0.488 726 V N -3.839 116.094 119.914 0.030 0.000 3.621 726 V HA 0.488 4.609 4.120 0.001 0.000 0.285 726 V C 1.274 177.403 176.094 0.057 0.000 1.346 726 V CA 0.353 62.676 62.300 0.038 0.000 1.104 726 V CB -0.008 31.833 31.823 0.031 0.000 0.913 726 V HN 0.139 nan 8.190 nan 0.000 0.432 727 G N 0.613 109.456 108.800 0.072 0.000 2.182 727 G HA2 -0.163 3.798 3.960 0.001 0.000 0.248 727 G HA3 -0.163 3.798 3.960 0.001 0.000 0.248 727 G C 0.001 174.970 174.900 0.115 0.000 1.042 727 G CA 0.333 45.485 45.100 0.086 0.000 0.775 727 G HN 1.681 nan 8.290 nan 0.000 0.501 728 V N -0.600 119.405 119.914 0.151 0.000 2.407 728 V HA 0.697 4.818 4.120 0.001 0.000 0.278 728 V C 0.155 176.446 176.094 0.328 0.000 1.037 728 V CA -0.526 61.900 62.300 0.210 0.000 0.900 728 V CB 1.690 33.637 31.823 0.207 0.000 0.983 728 V HN 0.296 nan 8.190 nan 0.000 0.459 729 D N 5.673 126.233 120.400 0.267 0.000 2.304 729 D HA 0.560 5.201 4.640 0.001 0.000 0.250 729 D C -0.530 176.001 176.300 0.385 0.000 1.107 729 D CA 0.258 54.399 54.000 0.235 0.000 0.885 729 D CB 0.764 41.637 40.800 0.122 0.000 1.192 729 D HN 0.638 nan 8.370 nan 0.000 0.436 730 F N 0.121 120.156 119.950 0.141 0.000 2.711 730 F HA 0.484 5.011 4.527 0.001 0.000 0.313 730 F C -1.210 174.649 175.800 0.100 0.000 1.141 730 F CA -1.213 56.894 58.000 0.177 0.000 0.941 730 F CB 0.893 40.030 39.000 0.229 0.000 1.349 730 F HN 0.016 nan 8.300 nan 0.000 0.464 731 Q N 1.627 121.506 119.800 0.131 0.000 2.235 731 Q HA 0.758 5.099 4.340 0.001 0.000 0.250 731 Q C -0.645 175.340 176.000 -0.024 0.000 0.909 731 Q CA -0.584 55.210 55.803 -0.015 0.000 0.910 731 Q CB 1.877 30.650 28.738 0.059 0.000 1.223 731 Q HN 0.976 nan 8.270 nan 0.000 0.432 732 A N 2.018 124.789 122.820 -0.081 0.000 2.469 732 A HA 0.863 5.184 4.320 0.001 0.000 0.299 732 A C -1.137 176.383 177.584 -0.107 0.000 1.098 732 A CA -0.607 51.417 52.037 -0.021 0.000 0.737 732 A CB 1.785 20.830 19.000 0.074 0.000 1.312 732 A HN 0.617 nan 8.150 nan 0.000 0.414 733 M N 1.559 121.082 119.600 -0.128 0.000 2.265 733 M HA 0.518 4.999 4.480 0.001 0.000 0.262 733 M C -1.819 174.362 176.300 -0.199 0.000 1.026 733 M CA -0.654 54.425 55.300 -0.368 0.000 0.987 733 M CB 1.015 33.288 32.600 -0.544 0.000 1.937 733 M HN 0.887 nan 8.290 nan 0.000 0.481 734 W N 4.437 125.598 121.300 -0.231 0.000 2.375 734 W HA 0.745 5.406 4.660 0.001 0.000 0.336 734 W C -1.880 174.369 176.519 -0.451 0.000 1.160 734 W CA -0.678 56.603 57.345 -0.107 0.000 1.266 734 W CB 0.269 29.713 29.460 -0.027 0.000 1.195 734 W HN 0.614 nan 8.180 nan 0.000 0.599 735 Y N 2.412 122.833 120.300 0.201 0.000 2.388 735 Y HA 0.285 4.836 4.550 0.002 0.000 0.328 735 Y C 0.496 176.510 175.900 0.189 0.000 0.963 735 Y CA -1.089 57.059 58.100 0.079 0.000 1.240 735 Y CB 1.191 39.669 38.460 0.030 0.000 1.118 735 Y HN 0.415 nan 8.280 nan 0.000 0.484 736 T N 4.615 119.339 114.554 0.284 0.000 2.831 736 T HA -0.012 4.339 4.350 0.001 0.000 0.291 736 T C 0.170 174.947 174.700 0.128 0.000 0.981 736 T CA 0.690 62.904 62.100 0.190 0.000 1.174 736 T CB -0.125 68.795 68.868 0.086 0.000 0.929 736 T HN 0.720 nan 8.240 nan 0.000 0.532 737 D N 0.586 121.042 120.400 0.094 0.000 2.946 737 D HA -0.121 4.519 4.640 0.001 0.000 0.202 737 D C 0.314 176.750 176.300 0.226 0.000 1.068 737 D CA 1.155 55.154 54.000 -0.002 0.000 1.011 737 D CB -0.417 40.172 40.800 -0.351 0.000 1.105 737 D HN 0.541 nan 8.370 nan 0.000 0.425 738 E N 1.000 121.347 120.200 0.244 0.000 2.349 738 E HA 0.334 4.684 4.350 0.001 0.000 0.265 738 E C 0.761 177.541 176.600 0.300 0.000 1.064 738 E CA -0.108 56.453 56.400 0.268 0.000 0.886 738 E CB 1.068 30.917 29.700 0.249 0.000 1.036 738 E HN 0.391 nan 8.360 nan 0.000 0.413 739 D N -0.524 120.062 120.400 0.311 0.000 2.570 739 D HA 0.019 4.659 4.640 0.001 0.000 0.266 739 D C 1.034 177.552 176.300 0.363 0.000 1.182 739 D CA -0.259 53.947 54.000 0.343 0.000 1.088 739 D CB -0.222 40.810 40.800 0.386 0.000 1.186 739 D HN 0.420 nan 8.370 nan 0.000 0.618 740 H N -1.444 117.804 119.070 0.296 0.000 2.456 740 H HA 0.103 4.660 4.556 0.001 0.000 0.296 740 H C 1.926 177.492 175.328 0.398 0.000 1.079 740 H CA 2.229 58.472 56.048 0.326 0.000 1.322 740 H CB -0.382 29.551 29.762 0.286 0.000 1.388 740 H HN 0.495 nan 8.280 nan 0.000 0.538 741 G N -0.034 108.928 108.800 0.270 0.000 2.572 741 G HA2 -0.056 3.905 3.960 0.001 0.000 0.216 741 G HA3 -0.056 3.905 3.960 0.001 0.000 0.216 741 G C 0.654 175.716 174.900 0.271 0.000 1.133 741 G CA 0.318 45.494 45.100 0.127 0.000 0.791 741 G HN 0.535 nan 8.290 nan 0.000 0.538 742 I N 0.158 120.926 120.570 0.330 0.000 3.815 742 I HA -0.334 3.837 4.170 0.001 0.000 0.126 742 I C 1.523 177.755 176.117 0.193 0.000 1.050 742 I CA 0.182 61.615 61.300 0.222 0.000 2.736 742 I CB -0.986 37.087 38.000 0.122 0.000 1.417 742 I HN 0.267 nan 8.210 nan 0.000 0.341 743 A N 1.175 124.092 122.820 0.161 0.000 2.382 743 A HA 0.257 4.578 4.320 0.001 0.000 0.228 743 A C 1.093 178.735 177.584 0.095 0.000 1.217 743 A CA 0.104 52.213 52.037 0.120 0.000 0.923 743 A CB 0.355 19.402 19.000 0.078 0.000 0.979 743 A HN 0.426 nan 8.150 nan 0.000 0.515 744 S N 0.336 116.103 115.700 0.113 0.000 2.561 744 S HA 0.045 4.515 4.470 0.001 0.000 0.294 744 S C 1.627 176.287 174.600 0.101 0.000 1.294 744 S CA 0.558 58.818 58.200 0.100 0.000 1.055 744 S CB 0.840 64.104 63.200 0.107 0.000 0.819 744 S HN 0.580 nan 8.310 nan 0.000 0.503 745 S N 2.439 118.184 115.700 0.075 0.000 2.359 745 S HA -0.182 4.289 4.470 0.001 0.000 0.223 745 S C 2.307 176.974 174.600 0.112 0.000 1.039 745 S CA 2.292 60.538 58.200 0.076 0.000 1.042 745 S CB -0.753 62.472 63.200 0.042 0.000 0.915 745 S HN 0.980 nan 8.310 nan 0.000 0.439 746 T N -0.360 114.249 114.554 0.091 0.000 2.857 746 T HA 0.180 4.530 4.350 0.001 0.000 0.266 746 T C 1.926 176.693 174.700 0.113 0.000 1.048 746 T CA 1.307 63.463 62.100 0.094 0.000 1.139 746 T CB -0.807 68.106 68.868 0.074 0.000 0.874 746 T HN 0.428 nan 8.240 nan 0.000 0.455 747 A N 1.551 124.424 122.820 0.088 0.000 1.898 747 A HA -0.074 4.247 4.320 0.001 0.000 0.216 747 A C 2.195 179.750 177.584 -0.048 0.000 1.181 747 A CA 1.994 54.032 52.037 0.003 0.000 0.620 747 A CB -1.300 17.667 19.000 -0.055 0.000 0.819 747 A HN 0.808 nan 8.150 nan 0.000 0.442 748 H N -0.118 118.943 119.070 -0.014 0.000 2.352 748 H HA -0.164 4.393 4.556 0.001 0.000 0.299 748 H C 2.055 177.456 175.328 0.122 0.000 1.097 748 H CA 2.347 58.437 56.048 0.070 0.000 1.311 748 H CB -0.201 29.611 29.762 0.083 0.000 1.377 748 H HN 0.584 nan 8.280 nan 0.000 0.504 749 Q N -0.949 118.843 119.800 -0.014 0.000 2.119 749 Q HA -0.173 4.168 4.340 0.001 0.000 0.201 749 Q C 2.195 178.177 176.000 -0.030 0.000 0.972 749 Q CA 1.254 57.017 55.803 -0.067 0.000 0.847 749 Q CB -0.172 28.576 28.738 0.017 0.000 0.903 749 Q HN 0.643 nan 8.270 nan 0.000 0.433 750 H N 0.886 119.931 119.070 -0.041 0.000 2.326 750 H HA -0.068 4.489 4.556 0.001 0.000 0.301 750 H C 2.075 177.404 175.328 0.002 0.000 1.081 750 H CA 1.332 57.395 56.048 0.025 0.000 1.334 750 H CB -0.046 29.792 29.762 0.126 0.000 1.385 750 H HN 0.272 nan 8.280 nan 0.000 0.504 751 I N 0.215 120.753 120.570 -0.055 0.000 2.208 751 I HA -0.350 3.821 4.170 0.001 0.000 0.245 751 I C 1.831 177.689 176.117 -0.432 0.000 1.097 751 I CA 1.462 62.614 61.300 -0.247 0.000 1.363 751 I CB -0.272 37.372 38.000 -0.594 0.000 1.051 751 I HN 0.185 nan 8.210 nan 0.000 0.413 752 Y N 0.698 120.766 120.300 -0.387 0.000 2.263 752 Y HA -0.199 4.352 4.550 0.002 0.000 0.292 752 Y C 2.688 178.369 175.900 -0.365 0.000 1.130 752 Y CA 1.770 59.523 58.100 -0.579 0.000 1.179 752 Y CB -0.671 37.453 38.460 -0.559 0.000 0.998 752 Y HN 0.156 nan 8.280 nan 0.000 0.532 753 T N -1.397 113.084 114.554 -0.123 0.000 2.652 753 T HA -0.287 4.064 4.350 0.001 0.000 0.267 753 T C 1.527 176.172 174.700 -0.092 0.000 1.039 753 T CA 2.041 64.055 62.100 -0.144 0.000 1.153 753 T CB -0.597 68.190 68.868 -0.134 0.000 0.863 753 T HN 0.417 nan 8.240 nan 0.000 0.428 754 H N 0.828 119.801 119.070 -0.161 0.000 2.319 754 H HA 0.057 4.613 4.556 0.001 0.000 0.299 754 H C 2.215 177.540 175.328 -0.005 0.000 1.092 754 H CA 1.654 57.671 56.048 -0.051 0.000 1.302 754 H CB -0.290 29.416 29.762 -0.094 0.000 1.373 754 H HN 0.260 nan 8.280 nan 0.000 0.497 755 M N -0.862 118.677 119.600 -0.101 0.000 2.159 755 M HA -0.163 4.318 4.480 0.001 0.000 0.263 755 M C 2.410 178.835 176.300 0.207 0.000 1.063 755 M CA 1.474 56.702 55.300 -0.120 0.000 1.110 755 M CB 0.018 32.234 32.600 -0.639 0.000 1.374 755 M HN 0.221 nan 8.290 nan 0.000 0.411 756 S N -0.529 115.321 115.700 0.250 0.000 2.356 756 S HA -0.171 4.300 4.470 0.001 0.000 0.223 756 S C 1.580 176.270 174.600 0.150 0.000 1.032 756 S CA 1.346 59.777 58.200 0.386 0.000 1.005 756 S CB -0.650 62.742 63.200 0.319 0.000 0.867 756 S HN 0.541 nan 8.310 nan 0.000 0.449 757 H N -0.313 118.814 119.070 0.096 0.000 2.319 757 H HA -0.124 4.433 4.556 0.002 0.000 0.297 757 H C 1.921 177.246 175.328 -0.005 0.000 1.097 757 H CA 1.942 57.996 56.048 0.010 0.000 1.285 757 H CB -0.274 29.439 29.762 -0.081 0.000 1.368 757 H HN 0.385 nan 8.280 nan 0.000 0.495 758 F N 0.785 120.719 119.950 -0.027 0.000 2.134 758 F HA -0.207 4.320 4.527 0.001 0.000 0.299 758 F C 1.992 177.750 175.800 -0.071 0.000 1.097 758 F CA 0.987 58.946 58.000 -0.069 0.000 1.264 758 F CB -0.116 38.826 39.000 -0.098 0.000 1.001 758 F HN 0.052 nan 8.300 nan 0.000 0.479 759 I N 0.776 121.378 120.570 0.053 0.000 2.202 759 I HA -0.248 3.923 4.170 0.001 0.000 0.242 759 I C 2.260 178.170 176.117 -0.346 0.000 1.091 759 I CA 1.381 62.542 61.300 -0.232 0.000 1.368 759 I CB -1.346 36.598 38.000 -0.093 0.000 1.058 759 I HN 0.186 nan 8.210 nan 0.000 0.410 760 K N 0.547 120.892 120.400 -0.092 0.000 2.032 760 K HA -0.272 4.049 4.320 0.001 0.000 0.209 760 K C 2.026 178.606 176.600 -0.034 0.000 1.048 760 K CA 1.883 58.166 56.287 -0.007 0.000 0.927 760 K CB -0.340 32.204 32.500 0.073 0.000 0.712 760 K HN 0.367 nan 8.250 nan 0.000 0.441 761 Q N 1.353 121.097 119.800 -0.093 0.000 2.084 761 Q HA -0.186 4.154 4.340 0.001 0.000 0.202 761 Q C 2.216 178.112 176.000 -0.173 0.000 0.978 761 Q CA 2.056 57.788 55.803 -0.119 0.000 0.844 761 Q CB -0.929 27.726 28.738 -0.139 0.000 0.898 761 Q HN 0.342 nan 8.270 nan 0.000 0.426 762 c N -0.378 118.005 118.600 -0.361 0.000 2.413 762 c HA -0.064 4.507 4.570 0.001 0.000 0.277 762 c C 1.725 175.846 174.090 0.051 0.000 1.265 762 c CA 0.695 56.838 56.329 -0.309 0.000 1.752 762 c CB -1.311 40.852 42.510 -0.578 0.000 1.998 762 c HN 0.660 nan 8.230 nan 0.000 0.489 763 F N 1.389 121.303 119.950 -0.060 0.000 2.693 763 F HA 0.268 4.795 4.527 0.001 0.000 0.303 763 F C 1.605 177.393 175.800 -0.021 0.000 1.097 763 F CA 0.268 58.255 58.000 -0.023 0.000 1.330 763 F CB -1.202 37.796 39.000 -0.005 0.000 1.067 763 F HN 0.199 nan 8.300 nan 0.000 0.565 764 S N 0.935 116.718 115.700 0.139 0.000 3.682 764 S HA -0.206 4.264 4.470 0.001 0.000 0.354 764 S C 0.060 174.704 174.600 0.072 0.000 1.034 764 S CA 0.111 58.355 58.200 0.073 0.000 1.084 764 S CB -2.105 61.126 63.200 0.052 0.000 0.903 764 S HN 0.238 nan 8.310 nan 0.000 0.470 765 L N 2.054 123.332 121.223 0.091 0.000 2.292 765 L HA 0.437 4.778 4.340 0.001 0.000 0.284 765 L C -0.903 176.007 176.870 0.066 0.000 1.065 765 L CA -1.885 53.004 54.840 0.081 0.000 0.806 765 L CB 0.347 42.469 42.059 0.105 0.000 1.175 765 L HN 0.090 nan 8.230 nan 0.000 0.431 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.133 63.100 0.054 0.000 0.800 766 P CB 0.000 31.725 31.700 0.042 0.000 0.726