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_A DATA FIRST_RESID 40 DATA SEQUENCE RKTYTLTDYL KNTYRLKLYS LRWISDHEYL YKQENNILVF NAEYGNSSVF DATA SEQUENCE LENSTFDEFG HSINDYSISP DGQFILLEYN YVKQWRHSYT ASYDIYDLNK DATA SEQUENCE RQLITEERIP NNTQWVTWSP VGHKLAYVWN NDIYVKIEPN LPSYRITWTG DATA SEQUENCE KEDIIYNGIT DWVYEEEVFS AYSALWWSPN GTFLAYAQFN DTEVPLIEYS DATA SEQUENCE FYSDESLQYP KTVRVPYPKA GAVNPTVKFF VVNTDSLSSV TNATSIQITA DATA SEQUENCE PASMLIGDHY LCDVTWATQE RISLQWLRRI QNYSVMDIcD YDESSGRWNc DATA SEQUENCE LVARQHIEMS TTGWVGRFRP SEPHFTLDGN SFYKIISNEE GYRHIcYFQI DATA SEQUENCE DKKDcTFITK GTWEVIGIEA LTSDYLYYIS NEYKGMPGGR NLYKIQLSDY DATA SEQUENCE TKVTCLSCEL NPERcQYYSV SFSKEAKYYQ LRcSGPGLPL YTLHSSVNDK DATA SEQUENCE GLRVLEDNSA LDKMLQNVQM PSKKLDFIIL NETKFWYQMI LPPHFDKSKK DATA SEQUENCE YPLLLDVYAG PCSQKADTVF RLNWATYLAS TENIIVASFD GRGSGYQGDK DATA SEQUENCE IMHAINRRLG TFEVEDQIEA ARQFSKMGFV DNKRIAIWGW SYGGYVTSMV DATA SEQUENCE LGSGSGVFKc GIAVAPVSRW EYYDSVYTER YMGLPTPEDN LDHYRNSTVM DATA SEQUENCE SRAENFKQVE YLLIHGTADD NVHFQQSAQI SKALVDVGVD FQAMWYTDED DATA SEQUENCE HGIASSTAHQ HIYTHMSHFI KQcFSLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 40 R HA 0.000 nan 4.340 nan 0.000 0.208 40 R C 0.000 176.355 176.300 0.091 0.000 0.893 40 R CA 0.000 56.151 56.100 0.084 0.000 0.921 40 R CB 0.000 30.337 30.300 0.061 0.000 0.687 41 K N 1.002 121.460 120.400 0.096 0.000 2.219 41 K HA 0.284 4.603 4.320 -0.001 0.000 0.258 41 K C 0.091 176.762 176.600 0.118 0.000 1.008 41 K CA -0.073 56.278 56.287 0.107 0.000 0.928 41 K CB 0.906 33.479 32.500 0.122 0.000 0.983 41 K HN 0.011 nan 8.250 nan 0.000 0.484 42 T N -1.769 112.864 114.554 0.131 0.000 2.937 42 T HA 0.186 4.535 4.350 -0.001 0.000 0.283 42 T C -0.860 173.960 174.700 0.200 0.000 1.012 42 T CA -0.841 61.351 62.100 0.153 0.000 0.997 42 T CB 0.594 69.552 68.868 0.150 0.000 1.136 42 T HN 0.569 nan 8.240 nan 0.000 0.551 43 Y N 2.371 122.724 120.300 0.089 0.000 2.452 43 Y HA 0.410 4.960 4.550 -0.001 0.000 0.348 43 Y C 0.825 176.871 175.900 0.242 0.000 0.985 43 Y CA -0.416 57.760 58.100 0.126 0.000 1.214 43 Y CB 0.091 38.577 38.460 0.044 0.000 1.136 43 Y HN 1.034 nan 8.280 nan 0.000 0.523 44 T N 2.518 117.050 114.554 -0.037 0.000 2.862 44 T HA 0.141 4.491 4.350 -0.001 0.000 0.276 44 T C 0.934 175.532 174.700 -0.171 0.000 0.974 44 T CA -0.708 61.422 62.100 0.050 0.000 0.966 44 T CB 1.262 70.129 68.868 -0.002 0.000 1.072 44 T HN 0.710 nan 8.240 nan 0.000 0.538 45 L N 1.045 121.956 121.223 -0.519 0.000 2.046 45 L HA 0.000 4.339 4.340 -0.001 0.000 0.208 45 L C 2.617 179.345 176.870 -0.237 0.000 1.077 45 L CA 2.243 56.680 54.840 -0.672 0.000 0.747 45 L CB -1.546 39.979 42.059 -0.890 0.000 0.896 45 L HN 0.962 nan 8.230 nan 0.000 0.432 46 T N -0.525 113.913 114.554 -0.193 0.000 2.759 46 T HA -0.178 4.171 4.350 -0.001 0.000 0.269 46 T C 1.497 176.117 174.700 -0.133 0.000 1.042 46 T CA 1.439 63.462 62.100 -0.128 0.000 1.140 46 T CB -0.483 68.332 68.868 -0.089 0.000 0.864 46 T HN 0.408 nan 8.240 nan 0.000 0.455 47 D N 0.307 120.596 120.400 -0.185 0.000 2.106 47 D HA -0.120 4.519 4.640 -0.001 0.000 0.191 47 D C 1.774 177.983 176.300 -0.151 0.000 0.997 47 D CA 1.233 55.092 54.000 -0.235 0.000 0.834 47 D CB -0.550 39.953 40.800 -0.495 0.000 0.956 47 D HN 0.437 nan 8.370 nan 0.000 0.448 48 Y N 1.498 121.636 120.300 -0.270 0.000 2.145 48 Y HA -0.150 4.399 4.550 -0.001 0.000 0.286 48 Y C 2.248 178.175 175.900 0.045 0.000 1.145 48 Y CA 1.293 59.423 58.100 0.050 0.000 1.148 48 Y CB -0.608 37.959 38.460 0.179 0.000 0.981 48 Y HN -0.074 nan 8.280 nan 0.000 0.507 49 L N -0.314 120.751 121.223 -0.264 0.000 2.093 49 L HA -0.164 4.175 4.340 -0.001 0.000 0.208 49 L C 1.769 178.535 176.870 -0.173 0.000 1.085 49 L CA 1.600 56.258 54.840 -0.302 0.000 0.755 49 L CB -0.371 41.589 42.059 -0.165 0.000 0.904 49 L HN 0.040 nan 8.230 nan 0.000 0.435 50 K N 0.047 120.373 120.400 -0.123 0.000 2.372 50 K HA 0.123 4.442 4.320 -0.001 0.000 0.200 50 K C -0.179 176.377 176.600 -0.073 0.000 1.022 50 K CA -0.096 56.139 56.287 -0.085 0.000 1.125 50 K CB -0.091 32.363 32.500 -0.076 0.000 0.855 50 K HN 0.152 nan 8.250 nan 0.000 0.524 51 N N -0.173 118.493 118.700 -0.058 0.000 2.705 51 N HA -0.223 4.517 4.740 -0.001 0.000 0.255 51 N C 0.053 175.551 175.510 -0.019 0.000 1.008 51 N CA 0.664 53.718 53.050 0.007 0.000 0.742 51 N CB -1.023 37.465 38.487 0.000 0.000 0.906 51 N HN 0.146 nan 8.380 nan 0.000 0.541 52 T N -1.025 113.479 114.554 -0.082 0.000 2.720 52 T HA -0.196 4.154 4.350 -0.001 0.000 0.268 52 T C 0.382 174.851 174.700 -0.385 0.000 1.037 52 T CA 1.398 63.316 62.100 -0.303 0.000 1.144 52 T CB -0.128 68.448 68.868 -0.488 0.000 0.864 52 T HN 0.381 nan 8.240 nan 0.000 0.444 53 Y N 1.495 121.878 120.300 0.139 0.000 2.587 53 Y HA 0.477 5.026 4.550 -0.001 0.000 0.328 53 Y C 0.467 176.476 175.900 0.182 0.000 0.980 53 Y CA -1.092 57.117 58.100 0.183 0.000 1.272 53 Y CB 0.457 39.087 38.460 0.283 0.000 1.094 53 Y HN -0.103 nan 8.280 nan 0.000 0.503 54 R N 2.885 123.518 120.500 0.221 0.000 2.490 54 R HA 0.490 4.830 4.340 -0.001 0.000 0.278 54 R C -0.981 175.438 176.300 0.198 0.000 1.069 54 R CA -0.584 55.621 56.100 0.176 0.000 1.080 54 R CB 0.681 31.042 30.300 0.102 0.000 1.030 54 R HN 0.685 nan 8.270 nan 0.000 0.491 55 L N 4.781 126.120 121.223 0.193 0.000 2.260 55 L HA 0.294 4.633 4.340 -0.001 0.000 0.289 55 L C 0.178 177.138 176.870 0.149 0.000 1.057 55 L CA -0.245 54.712 54.840 0.195 0.000 0.811 55 L CB 1.192 43.390 42.059 0.231 0.000 1.184 55 L HN 0.463 nan 8.230 nan 0.000 0.429 56 K N 3.344 123.825 120.400 0.135 0.000 2.298 56 K HA 0.378 4.697 4.320 -0.001 0.000 0.280 56 K C -0.629 176.010 176.600 0.064 0.000 1.032 56 K CA -0.648 55.694 56.287 0.091 0.000 0.958 56 K CB 1.108 33.660 32.500 0.086 0.000 0.978 56 K HN 0.239 nan 8.250 nan 0.000 0.472 57 L N 2.004 123.196 121.223 -0.051 0.000 2.376 57 L HA 0.340 4.679 4.340 -0.001 0.000 0.267 57 L C -0.725 175.870 176.870 -0.458 0.000 1.035 57 L CA -0.411 54.252 54.840 -0.296 0.000 0.800 57 L CB 0.369 42.349 42.059 -0.132 0.000 1.290 57 L HN 0.471 nan 8.230 nan 0.000 0.462 58 Y N 0.391 120.073 120.300 -1.029 0.000 2.628 58 Y HA 0.373 4.922 4.550 -0.001 0.000 0.354 58 Y C -0.193 175.540 175.900 -0.280 0.000 1.061 58 Y CA -0.435 57.352 58.100 -0.520 0.000 1.251 58 Y CB 1.273 39.350 38.460 -0.638 0.000 1.098 58 Y HN 0.491 nan 8.280 nan 0.000 0.626 59 S N 6.154 121.790 115.700 -0.106 0.000 2.439 59 S HA 0.601 5.070 4.470 -0.001 0.000 0.282 59 S C -0.737 173.845 174.600 -0.031 0.000 1.170 59 S CA -0.531 57.639 58.200 -0.051 0.000 1.054 59 S CB -0.520 62.644 63.200 -0.060 0.000 0.956 59 S HN 0.609 nan 8.310 nan 0.000 0.490 60 L N 3.756 124.935 121.223 -0.073 0.000 2.319 60 L HA 0.828 5.167 4.340 -0.001 0.000 0.267 60 L C -0.387 176.427 176.870 -0.092 0.000 1.011 60 L CA -0.938 53.820 54.840 -0.137 0.000 0.818 60 L CB 1.572 43.256 42.059 -0.626 0.000 1.316 60 L HN 0.588 nan 8.230 nan 0.000 0.432 61 R N 0.951 121.448 120.500 -0.005 0.000 2.435 61 R HA 0.382 4.722 4.340 -0.001 0.000 0.308 61 R C -1.730 174.652 176.300 0.137 0.000 0.975 61 R CA -0.529 55.620 56.100 0.081 0.000 0.867 61 R CB 0.341 30.714 30.300 0.122 0.000 1.171 61 R HN 0.756 nan 8.270 nan 0.000 0.470 62 W N 2.890 124.308 121.300 0.198 0.000 2.257 62 W HA 0.012 4.672 4.660 -0.001 0.000 0.337 62 W C 1.057 177.672 176.519 0.160 0.000 1.321 62 W CA -0.214 57.263 57.345 0.219 0.000 1.267 62 W CB 0.359 29.934 29.460 0.193 0.000 1.187 62 W HN 0.573 nan 8.180 nan 0.000 0.565 63 I N 1.729 122.544 120.570 0.409 0.000 3.616 63 I HA -0.010 4.160 4.170 -0.001 0.000 0.296 63 I C 0.900 177.130 176.117 0.190 0.000 1.226 63 I CA 0.806 62.235 61.300 0.215 0.000 1.394 63 I CB -0.070 37.982 38.000 0.087 0.000 1.171 63 I HN 0.366 nan 8.210 nan 0.000 0.442 64 S N -2.000 113.847 115.700 0.245 0.000 3.121 64 S HA 0.287 4.756 4.470 -0.001 0.000 0.324 64 S C 0.244 174.875 174.600 0.052 0.000 1.192 64 S CA -0.451 57.812 58.200 0.105 0.000 0.937 64 S CB 0.756 63.988 63.200 0.054 0.000 1.336 64 S HN -0.034 nan 8.310 nan 0.000 0.664 65 D N 0.214 120.482 120.400 -0.220 0.000 2.349 65 D HA 0.101 4.740 4.640 -0.001 0.000 0.224 65 D C 0.833 177.038 176.300 -0.158 0.000 1.029 65 D CA 0.694 54.513 54.000 -0.301 0.000 0.879 65 D CB -0.101 40.495 40.800 -0.341 0.000 0.906 65 D HN 0.704 nan 8.370 nan 0.000 0.528 66 H N -2.611 116.683 119.070 0.372 0.000 3.566 66 H HA 0.365 4.920 4.556 -0.001 0.000 0.259 66 H C -0.311 175.296 175.328 0.465 0.000 1.184 66 H CA -0.394 55.990 56.048 0.561 0.000 1.107 66 H CB 0.520 30.559 29.762 0.462 0.000 1.726 66 H HN 0.011 nan 8.280 nan 0.000 0.743 67 E N 1.489 122.039 120.200 0.582 0.000 2.317 67 E HA 0.349 4.699 4.350 -0.001 0.000 0.270 67 E C -1.520 175.300 176.600 0.366 0.000 0.885 67 E CA -1.014 55.585 56.400 0.332 0.000 0.760 67 E CB 3.299 33.126 29.700 0.211 0.000 1.227 67 E HN 0.287 nan 8.360 nan 0.000 0.434 68 Y N -0.614 119.727 120.300 0.068 0.000 2.588 68 Y HA 0.570 5.119 4.550 -0.001 0.000 0.343 68 Y C -1.569 174.331 175.900 0.000 0.000 1.065 68 Y CA -1.230 56.816 58.100 -0.090 0.000 1.038 68 Y CB 0.817 38.915 38.460 -0.602 0.000 1.297 68 Y HN 0.338 nan 8.280 nan 0.000 0.467 69 L N 3.263 124.633 121.223 0.246 0.000 2.325 69 L HA 0.442 4.782 4.340 -0.001 0.000 0.279 69 L C -1.254 175.862 176.870 0.409 0.000 1.054 69 L CA -0.888 54.079 54.840 0.211 0.000 0.804 69 L CB 1.341 43.457 42.059 0.094 0.000 1.200 69 L HN 0.791 nan 8.230 nan 0.000 0.436 70 Y N 2.586 123.044 120.300 0.263 0.000 2.442 70 Y HA 0.262 4.812 4.550 -0.001 0.000 0.344 70 Y C -0.281 175.688 175.900 0.115 0.000 0.976 70 Y CA -1.140 57.059 58.100 0.165 0.000 1.040 70 Y CB 1.680 40.264 38.460 0.207 0.000 1.228 70 Y HN 0.393 nan 8.280 nan 0.000 0.451 71 K N 5.251 125.295 120.400 -0.593 0.000 2.222 71 K HA 0.163 4.482 4.320 -0.001 0.000 0.243 71 K C -0.444 175.850 176.600 -0.510 0.000 1.160 71 K CA -0.215 55.836 56.287 -0.394 0.000 1.090 71 K CB 0.246 32.602 32.500 -0.240 0.000 1.694 71 K HN 0.680 nan 8.250 nan 0.000 0.361 72 Q N 3.882 123.558 119.800 -0.205 0.000 2.903 72 Q HA -0.086 4.253 4.340 -0.001 0.000 0.243 72 Q C -0.076 175.899 176.000 -0.043 0.000 1.366 72 Q CA 0.509 56.301 55.803 -0.019 0.000 0.898 72 Q CB 0.136 28.970 28.738 0.160 0.000 1.718 72 Q HN 0.659 nan 8.270 nan 0.000 0.557 73 E N 0.180 120.323 120.200 -0.095 0.000 3.171 73 E HA -0.326 4.023 4.350 -0.001 0.000 0.412 73 E C 0.787 177.353 176.600 -0.057 0.000 1.516 73 E CA 1.703 58.066 56.400 -0.063 0.000 1.196 73 E CB -1.071 28.614 29.700 -0.025 0.000 1.522 73 E HN 0.505 nan 8.360 nan 0.000 0.487 74 N N 2.111 120.788 118.700 -0.038 0.000 2.331 74 N HA -0.020 4.719 4.740 -0.001 0.000 0.180 74 N C 0.436 175.920 175.510 -0.043 0.000 1.019 74 N CA 0.941 53.970 53.050 -0.035 0.000 0.881 74 N CB -0.134 38.337 38.487 -0.028 0.000 0.972 74 N HN 0.176 nan 8.380 nan 0.000 0.435 75 N N -0.170 118.504 118.700 -0.044 0.000 2.476 75 N HA 0.387 5.127 4.740 -0.001 0.000 0.275 75 N C -0.674 174.800 175.510 -0.059 0.000 1.190 75 N CA -0.293 52.728 53.050 -0.048 0.000 0.977 75 N CB 1.285 39.753 38.487 -0.032 0.000 1.200 75 N HN -0.049 nan 8.380 nan 0.000 0.515 76 I N 1.499 122.036 120.570 -0.055 0.000 2.389 76 I HA 0.275 4.444 4.170 -0.001 0.000 0.288 76 I C -0.779 175.366 176.117 0.046 0.000 0.999 76 I CA -0.616 60.660 61.300 -0.041 0.000 1.129 76 I CB 1.095 39.014 38.000 -0.135 0.000 1.288 76 I HN 0.079 nan 8.210 nan 0.000 0.444 77 L N 6.698 127.959 121.223 0.063 0.000 2.325 77 L HA 0.524 4.863 4.340 -0.001 0.000 0.278 77 L C -0.125 176.739 176.870 -0.009 0.000 1.023 77 L CA -0.888 53.948 54.840 -0.006 0.000 0.811 77 L CB 2.021 44.003 42.059 -0.128 0.000 1.249 77 L HN 0.278 nan 8.230 nan 0.000 0.431 78 V N 0.424 120.287 119.914 -0.084 0.000 2.461 78 V HA 0.414 4.533 4.120 -0.001 0.000 0.275 78 V C -0.311 175.611 176.094 -0.287 0.000 1.047 78 V CA -0.572 61.642 62.300 -0.143 0.000 0.955 78 V CB 0.527 32.298 31.823 -0.086 0.000 0.988 78 V HN 0.387 nan 8.190 nan 0.000 0.471 79 F N 2.787 122.513 119.950 -0.374 0.000 2.443 79 F HA 0.416 4.943 4.527 -0.001 0.000 0.335 79 F C 0.709 176.213 175.800 -0.493 0.000 1.104 79 F CA -0.343 57.348 58.000 -0.515 0.000 1.013 79 F CB 1.531 39.965 39.000 -0.943 0.000 1.136 79 F HN 0.579 nan 8.300 nan 0.000 0.470 80 N N 1.961 120.616 118.700 -0.075 0.000 2.411 80 N HA 0.320 5.059 4.740 -0.001 0.000 0.259 80 N C 0.680 176.141 175.510 -0.081 0.000 1.103 80 N CA -0.043 52.999 53.050 -0.013 0.000 0.954 80 N CB 1.083 39.653 38.487 0.138 0.000 1.085 80 N HN 0.803 nan 8.380 nan 0.000 0.485 81 A N 3.172 125.918 122.820 -0.123 0.000 2.015 81 A HA -0.134 4.185 4.320 -0.001 0.000 0.219 81 A C 2.005 179.294 177.584 -0.492 0.000 1.163 81 A CA 0.976 52.853 52.037 -0.266 0.000 0.646 81 A CB -0.243 18.604 19.000 -0.255 0.000 0.806 81 A HN 0.718 nan 8.150 nan 0.000 0.448 82 E N -0.588 119.370 120.200 -0.405 0.000 2.017 82 E HA -0.176 4.173 4.350 -0.001 0.000 0.193 82 E C 1.409 177.687 176.600 -0.537 0.000 0.997 82 E CA 1.618 57.694 56.400 -0.541 0.000 0.804 82 E CB -0.275 28.868 29.700 -0.929 0.000 0.757 82 E HN 0.797 nan 8.360 nan 0.000 0.448 83 Y N -1.768 118.515 120.300 -0.027 0.000 2.462 83 Y HA 0.314 4.864 4.550 -0.001 0.000 0.253 83 Y C 1.591 177.485 175.900 -0.010 0.000 1.095 83 Y CA 0.398 58.489 58.100 -0.016 0.000 1.283 83 Y CB 0.549 39.002 38.460 -0.013 0.000 1.138 83 Y HN 0.166 nan 8.280 nan 0.000 0.522 84 G N 1.317 110.182 108.800 0.109 0.000 2.148 84 G HA2 -0.318 3.641 3.960 -0.001 0.000 0.254 84 G HA3 -0.318 3.641 3.960 -0.001 0.000 0.254 84 G C -0.042 174.992 174.900 0.222 0.000 0.981 84 G CA 0.313 45.495 45.100 0.137 0.000 0.670 84 G HN 0.474 nan 8.290 nan 0.000 0.528 85 N N 0.117 118.907 118.700 0.151 0.000 2.495 85 N HA 0.689 5.428 4.740 -0.001 0.000 0.280 85 N C -0.148 175.273 175.510 -0.148 0.000 1.168 85 N CA 0.295 53.366 53.050 0.035 0.000 0.978 85 N CB 1.732 40.225 38.487 0.011 0.000 1.191 85 N HN 0.763 nan 8.380 nan 0.000 0.497 86 S N -1.250 114.266 115.700 -0.308 0.000 2.549 86 S HA 0.663 5.132 4.470 -0.001 0.000 0.280 86 S C -0.720 173.700 174.600 -0.299 0.000 1.109 86 S CA -0.891 56.973 58.200 -0.560 0.000 0.905 86 S CB 1.112 63.589 63.200 -1.205 0.000 1.081 86 S HN 0.873 nan 8.310 nan 0.000 0.477 87 S N 0.506 116.061 115.700 -0.241 0.000 2.536 87 S HA 0.642 5.111 4.470 -0.001 0.000 0.298 87 S C -0.519 174.019 174.600 -0.102 0.000 1.083 87 S CA -0.874 57.246 58.200 -0.133 0.000 0.995 87 S CB 1.124 64.281 63.200 -0.073 0.000 1.058 87 S HN 0.839 nan 8.310 nan 0.000 0.488 88 V N 4.404 124.272 119.914 -0.077 0.000 2.400 88 V HA 0.082 4.201 4.120 -0.001 0.000 0.263 88 V C 0.959 177.045 176.094 -0.012 0.000 1.026 88 V CA 0.086 62.355 62.300 -0.050 0.000 1.077 88 V CB -1.281 30.500 31.823 -0.069 0.000 1.054 88 V HN 0.949 nan 8.190 nan 0.000 0.477 89 F N 5.371 125.253 119.950 -0.113 0.000 2.206 89 F HA 0.151 4.677 4.527 -0.001 0.000 0.298 89 F C 0.696 176.437 175.800 -0.097 0.000 1.090 89 F CA 1.193 59.137 58.000 -0.093 0.000 1.323 89 F CB 0.463 39.415 39.000 -0.081 0.000 1.028 89 F HN 0.370 nan 8.300 nan 0.000 0.492 90 L N 1.015 122.173 121.223 -0.108 0.000 2.580 90 L HA 0.296 4.635 4.340 -0.001 0.000 0.266 90 L C -0.817 175.964 176.870 -0.148 0.000 0.955 90 L CA -0.523 54.189 54.840 -0.213 0.000 0.886 90 L CB 1.580 43.554 42.059 -0.142 0.000 1.263 90 L HN -0.109 nan 8.230 nan 0.000 0.406 91 E N 1.056 121.140 120.200 -0.194 0.000 2.392 91 E HA 0.145 4.494 4.350 -0.001 0.000 0.256 91 E C 0.790 177.308 176.600 -0.137 0.000 1.145 91 E CA 0.155 56.463 56.400 -0.154 0.000 0.929 91 E CB 0.578 30.178 29.700 -0.166 0.000 0.998 91 E HN 0.636 nan 8.360 nan 0.000 0.442 92 N N -0.035 118.609 118.700 -0.094 0.000 2.142 92 N HA -0.174 4.565 4.740 -0.001 0.000 0.186 92 N C 0.949 176.420 175.510 -0.065 0.000 1.023 92 N CA 1.441 54.454 53.050 -0.061 0.000 0.852 92 N CB -0.317 38.143 38.487 -0.045 0.000 0.998 92 N HN 0.299 nan 8.380 nan 0.000 0.424 93 S N -2.114 113.527 115.700 -0.098 0.000 2.597 93 S HA 0.178 4.647 4.470 -0.001 0.000 0.224 93 S C 1.137 175.630 174.600 -0.179 0.000 0.955 93 S CA -0.305 57.836 58.200 -0.097 0.000 0.933 93 S CB -0.541 62.614 63.200 -0.074 0.000 0.788 93 S HN 0.236 nan 8.310 nan 0.000 0.488 94 T N 1.785 116.142 114.554 -0.328 0.000 2.720 94 T HA -0.010 4.340 4.350 -0.001 0.000 0.268 94 T C 0.354 174.615 174.700 -0.731 0.000 1.037 94 T CA 1.260 62.980 62.100 -0.632 0.000 1.144 94 T CB -0.481 67.759 68.868 -1.047 0.000 0.864 94 T HN 0.603 nan 8.240 nan 0.000 0.444 95 F N 1.032 120.893 119.950 -0.149 0.000 2.837 95 F HA 0.345 4.871 4.527 -0.001 0.000 0.298 95 F C 1.338 177.138 175.800 -0.000 0.000 1.161 95 F CA -1.465 56.480 58.000 -0.091 0.000 1.353 95 F CB -0.446 38.394 39.000 -0.266 0.000 0.951 95 F HN 0.066 nan 8.300 nan 0.000 0.508 96 D N 1.008 121.445 120.400 0.062 0.000 2.123 96 D HA -0.203 4.437 4.640 -0.001 0.000 0.196 96 D C 1.775 178.122 176.300 0.079 0.000 0.992 96 D CA 1.605 55.636 54.000 0.051 0.000 0.833 96 D CB 0.188 40.986 40.800 -0.004 0.000 0.954 96 D HN 0.196 nan 8.370 nan 0.000 0.455 97 E N -0.939 119.314 120.200 0.090 0.000 2.511 97 E HA -0.067 4.282 4.350 -0.001 0.000 0.196 97 E C 1.401 178.074 176.600 0.121 0.000 1.066 97 E CA -0.138 56.309 56.400 0.079 0.000 0.871 97 E CB -0.187 29.549 29.700 0.060 0.000 0.863 97 E HN 0.483 nan 8.360 nan 0.000 0.520 98 F N 1.039 121.010 119.950 0.035 0.000 2.113 98 F HA -0.122 4.404 4.527 -0.001 0.000 0.297 98 F C 1.876 177.616 175.800 -0.100 0.000 1.103 98 F CA 1.864 59.873 58.000 0.017 0.000 1.248 98 F CB 0.154 39.176 39.000 0.036 0.000 0.999 98 F HN 0.230 nan 8.300 nan 0.000 0.475 99 G N -1.251 107.528 108.800 -0.035 0.000 2.199 99 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.254 99 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.254 99 G C 0.225 174.919 174.900 -0.344 0.000 0.982 99 G CA 0.333 45.290 45.100 -0.238 0.000 0.632 99 G HN 0.500 nan 8.290 nan 0.000 0.529 100 H N -0.141 118.937 119.070 0.014 0.000 2.651 100 H HA 0.651 5.206 4.556 -0.001 0.000 0.353 100 H C -0.438 174.967 175.328 0.128 0.000 1.178 100 H CA -0.009 56.068 56.048 0.048 0.000 1.224 100 H CB 1.732 31.405 29.762 -0.149 0.000 1.702 100 H HN 0.106 nan 8.280 nan 0.000 0.550 101 S N 2.079 117.924 115.700 0.240 0.000 2.411 101 S HA 0.195 4.664 4.470 -0.001 0.000 0.294 101 S C 0.166 174.834 174.600 0.112 0.000 1.115 101 S CA -0.818 57.464 58.200 0.137 0.000 1.071 101 S CB -0.535 62.729 63.200 0.106 0.000 0.967 101 S HN 0.271 nan 8.310 nan 0.000 0.488 102 I N 5.431 126.006 120.570 0.008 0.000 2.436 102 I HA 0.088 4.257 4.170 -0.001 0.000 0.289 102 I C 1.424 177.522 176.117 -0.031 0.000 1.083 102 I CA 0.103 61.364 61.300 -0.065 0.000 1.372 102 I CB 0.133 37.996 38.000 -0.229 0.000 1.408 102 I HN 0.687 nan 8.210 nan 0.000 0.516 103 N N 4.501 123.188 118.700 -0.021 0.000 2.207 103 N HA -0.078 4.661 4.740 -0.001 0.000 0.182 103 N C 0.035 175.483 175.510 -0.104 0.000 1.020 103 N CA 1.287 54.282 53.050 -0.092 0.000 0.858 103 N CB 0.397 38.800 38.487 -0.141 0.000 0.991 103 N HN 0.679 nan 8.380 nan 0.000 0.427 104 D N -2.390 117.975 120.400 -0.058 0.000 2.654 104 D HA 0.160 4.799 4.640 -0.001 0.000 0.231 104 D C -1.480 174.842 176.300 0.036 0.000 1.239 104 D CA -0.575 53.393 54.000 -0.053 0.000 0.790 104 D CB 0.755 41.491 40.800 -0.107 0.000 1.480 104 D HN 0.116 nan 8.370 nan 0.000 0.442 105 Y N -0.485 119.821 120.300 0.010 0.000 2.602 105 Y HA 0.803 5.352 4.550 -0.001 0.000 0.330 105 Y C -0.573 175.406 175.900 0.132 0.000 1.114 105 Y CA -1.049 57.081 58.100 0.050 0.000 1.182 105 Y CB 1.753 40.233 38.460 0.034 0.000 1.305 105 Y HN 0.154 nan 8.280 nan 0.000 0.502 106 S N 2.535 118.457 115.700 0.370 0.000 2.545 106 S HA 0.445 4.915 4.470 -0.001 0.000 0.259 106 S C -1.603 173.337 174.600 0.567 0.000 1.092 106 S CA -0.777 57.648 58.200 0.375 0.000 1.054 106 S CB -0.099 63.283 63.200 0.304 0.000 1.146 106 S HN 0.629 nan 8.310 nan 0.000 0.447 107 I N 4.610 125.424 120.570 0.408 0.000 2.496 107 I HA 0.231 4.400 4.170 -0.001 0.000 0.285 107 I C 1.295 177.277 176.117 -0.226 0.000 1.080 107 I CA -0.127 61.294 61.300 0.201 0.000 1.404 107 I CB 0.607 38.708 38.000 0.168 0.000 1.403 107 I HN 0.816 nan 8.210 nan 0.000 0.539 108 S N 6.592 121.804 115.700 -0.814 0.000 2.560 108 S HA 0.138 4.608 4.470 -0.001 0.000 0.284 108 S C -1.716 172.591 174.600 -0.490 0.000 1.327 108 S CA -0.825 56.536 58.200 -1.398 0.000 1.055 108 S CB 0.515 62.755 63.200 -1.600 0.000 0.868 108 S HN 0.447 nan 8.310 nan 0.000 0.506 109 P HA -0.168 nan 4.420 nan 0.000 0.216 109 P C 0.925 178.175 177.300 -0.084 0.000 1.150 109 P CA 1.643 64.668 63.100 -0.125 0.000 0.843 109 P CB -0.117 31.528 31.700 -0.093 0.000 0.787 110 D N -2.015 118.329 120.400 -0.094 0.000 2.355 110 D HA 0.044 4.684 4.640 -0.001 0.000 0.218 110 D C 1.389 177.681 176.300 -0.013 0.000 1.004 110 D CA 0.859 54.843 54.000 -0.026 0.000 0.880 110 D CB -1.124 39.686 40.800 0.016 0.000 0.911 110 D HN 0.216 nan 8.370 nan 0.000 0.528 111 G N 0.376 109.147 108.800 -0.049 0.000 2.143 111 G HA2 -0.369 3.591 3.960 -0.001 0.000 0.248 111 G HA3 -0.369 3.591 3.960 -0.001 0.000 0.248 111 G C 0.861 175.745 174.900 -0.028 0.000 0.991 111 G CA 0.522 45.630 45.100 0.012 0.000 0.689 111 G HN 0.465 nan 8.290 nan 0.000 0.522 112 Q N -1.645 118.075 119.800 -0.133 0.000 2.354 112 Q HA 0.364 4.703 4.340 -0.001 0.000 0.203 112 Q C 0.129 175.671 176.000 -0.762 0.000 0.933 112 Q CA 0.686 56.237 55.803 -0.421 0.000 0.901 112 Q CB 0.488 28.953 28.738 -0.454 0.000 1.007 112 Q HN 0.571 nan 8.270 nan 0.000 0.495 113 F N -0.213 119.684 119.950 -0.088 0.000 2.588 113 F HA 0.460 4.987 4.527 -0.001 0.000 0.310 113 F C -0.626 175.253 175.800 0.131 0.000 1.082 113 F CA -1.139 56.882 58.000 0.035 0.000 0.929 113 F CB 1.806 40.865 39.000 0.098 0.000 1.254 113 F HN -0.188 nan 8.300 nan 0.000 0.455 114 I N 3.863 124.742 120.570 0.515 0.000 2.406 114 I HA 0.487 4.657 4.170 -0.001 0.000 0.290 114 I C -1.571 174.879 176.117 0.554 0.000 0.999 114 I CA -1.058 60.549 61.300 0.513 0.000 1.124 114 I CB 1.206 39.452 38.000 0.410 0.000 1.289 114 I HN 0.535 nan 8.210 nan 0.000 0.441 115 L N 8.542 130.136 121.223 0.618 0.000 2.313 115 L HA 0.428 4.767 4.340 -0.001 0.000 0.282 115 L C -1.067 175.959 176.870 0.261 0.000 1.092 115 L CA 0.159 55.224 54.840 0.375 0.000 0.831 115 L CB 0.742 42.919 42.059 0.198 0.000 1.159 115 L HN 0.521 nan 8.230 nan 0.000 0.442 116 L N 5.133 126.458 121.223 0.170 0.000 2.307 116 L HA 0.526 4.865 4.340 -0.001 0.000 0.284 116 L C -0.123 176.848 176.870 0.168 0.000 1.023 116 L CA -0.469 54.386 54.840 0.025 0.000 0.810 116 L CB 1.666 43.513 42.059 -0.352 0.000 1.231 116 L HN 0.612 nan 8.230 nan 0.000 0.423 117 E N 3.586 123.841 120.200 0.092 0.000 2.176 117 E HA 0.481 4.830 4.350 -0.001 0.000 0.267 117 E C -1.714 174.889 176.600 0.005 0.000 0.893 117 E CA -0.491 55.865 56.400 -0.072 0.000 0.761 117 E CB 1.496 31.215 29.700 0.032 0.000 1.133 117 E HN 0.459 nan 8.360 nan 0.000 0.409 118 Y N 1.408 121.540 120.300 -0.280 0.000 2.829 118 Y HA 0.443 4.993 4.550 -0.001 0.000 0.322 118 Y C -0.293 175.519 175.900 -0.148 0.000 1.357 118 Y CA -1.560 56.455 58.100 -0.142 0.000 1.081 118 Y CB 0.230 38.663 38.460 -0.045 0.000 1.339 118 Y HN 0.488 nan 8.280 nan 0.000 0.469 119 N N -0.254 118.452 118.700 0.010 0.000 2.714 119 N HA -0.303 4.437 4.740 -0.001 0.000 0.252 119 N C -1.137 174.334 175.510 -0.065 0.000 1.014 119 N CA 1.036 54.048 53.050 -0.064 0.000 0.735 119 N CB -1.584 36.773 38.487 -0.217 0.000 0.924 119 N HN 0.826 nan 8.380 nan 0.000 0.540 120 Y N -0.054 120.181 120.300 -0.108 0.000 2.496 120 Y HA 0.324 4.873 4.550 -0.001 0.000 0.334 120 Y C -0.048 175.821 175.900 -0.052 0.000 1.080 120 Y CA -0.203 57.832 58.100 -0.108 0.000 1.355 120 Y CB 0.737 39.087 38.460 -0.183 0.000 1.193 120 Y HN 0.011 nan 8.280 nan 0.000 0.523 121 V N 8.156 127.698 119.914 -0.621 0.000 2.380 121 V HA 0.193 4.313 4.120 -0.001 0.000 0.286 121 V C -0.255 175.428 176.094 -0.685 0.000 1.015 121 V CA -1.401 60.589 62.300 -0.516 0.000 0.834 121 V CB 1.221 32.900 31.823 -0.240 0.000 1.009 121 V HN 0.752 nan 8.190 nan 0.000 0.428 122 K N 3.826 123.795 120.400 -0.718 0.000 2.436 122 K HA 0.145 4.464 4.320 -0.001 0.000 0.275 122 K C 0.450 176.882 176.600 -0.281 0.000 0.999 122 K CA 0.350 56.408 56.287 -0.382 0.000 0.980 122 K CB 1.029 33.494 32.500 -0.058 0.000 0.919 122 K HN 0.811 nan 8.250 nan 0.000 0.484 123 Q N 3.030 122.652 119.800 -0.296 0.000 2.679 123 Q HA 0.156 4.495 4.340 -0.001 0.000 0.255 123 Q C 0.059 175.830 176.000 -0.382 0.000 1.053 123 Q CA -0.347 55.103 55.803 -0.587 0.000 0.620 123 Q CB 0.042 28.264 28.738 -0.861 0.000 3.775 123 Q HN 0.724 nan 8.270 nan 0.000 0.446 124 W N 0.367 121.658 121.300 -0.015 0.000 1.707 124 W HA 0.310 4.969 4.660 -0.001 0.000 0.601 124 W C 1.865 178.361 176.519 -0.039 0.000 1.890 124 W CA -0.639 56.724 57.345 0.029 0.000 2.128 124 W CB -0.140 29.307 29.460 -0.023 0.000 2.771 124 W HN 0.309 nan 8.180 nan 0.000 0.796 125 R N -0.703 119.864 120.500 0.111 0.000 2.115 125 R HA -0.120 4.220 4.340 -0.001 0.000 0.226 125 R C 1.631 177.746 176.300 -0.309 0.000 1.100 125 R CA 1.532 57.529 56.100 -0.172 0.000 0.980 125 R CB -0.273 29.773 30.300 -0.422 0.000 0.875 125 R HN 0.504 nan 8.270 nan 0.000 0.445 126 H N -1.338 117.805 119.070 0.121 0.000 2.800 126 H HA 0.152 4.708 4.556 -0.001 0.000 0.257 126 H C 0.475 175.895 175.328 0.154 0.000 0.967 126 H CA 0.465 56.609 56.048 0.159 0.000 1.192 126 H CB 0.230 30.058 29.762 0.111 0.000 1.441 126 H HN 0.107 nan 8.280 nan 0.000 0.461 127 S N 1.708 117.394 115.700 -0.024 0.000 2.564 127 S HA 0.354 4.823 4.470 -0.001 0.000 0.278 127 S C -0.249 174.217 174.600 -0.223 0.000 1.333 127 S CA -0.498 57.362 58.200 -0.565 0.000 1.048 127 S CB 0.422 62.756 63.200 -1.444 0.000 0.900 127 S HN 0.417 nan 8.310 nan 0.000 0.505 128 Y N -1.678 118.520 120.300 -0.171 0.000 2.705 128 Y HA 0.774 5.324 4.550 -0.001 0.000 0.332 128 Y C -0.579 175.306 175.900 -0.024 0.000 1.221 128 Y CA -1.275 56.714 58.100 -0.185 0.000 1.059 128 Y CB 0.772 39.111 38.460 -0.201 0.000 1.298 128 Y HN 0.537 nan 8.280 nan 0.000 0.459 129 T N 1.221 115.827 114.554 0.085 0.000 2.888 129 T HA 0.891 5.241 4.350 -0.001 0.000 0.284 129 T C -0.976 173.809 174.700 0.140 0.000 1.017 129 T CA 0.022 62.178 62.100 0.094 0.000 1.022 129 T CB 1.182 70.042 68.868 -0.013 0.000 1.013 129 T HN 1.089 nan 8.240 nan 0.000 0.465 130 A N 1.670 124.529 122.820 0.065 0.000 2.610 130 A HA 0.755 5.074 4.320 -0.001 0.000 0.291 130 A C -0.610 176.683 177.584 -0.484 0.000 1.086 130 A CA -0.741 51.159 52.037 -0.229 0.000 0.677 130 A CB 1.384 20.200 19.000 -0.307 0.000 1.278 130 A HN 0.667 nan 8.150 nan 0.000 0.414 131 S N -0.387 114.830 115.700 -0.805 0.000 2.616 131 S HA 0.743 5.212 4.470 -0.001 0.000 0.277 131 S C -1.303 172.574 174.600 -1.205 0.000 1.234 131 S CA 0.062 57.685 58.200 -0.961 0.000 1.028 131 S CB 0.400 62.771 63.200 -1.383 0.000 0.988 131 S HN 0.447 nan 8.310 nan 0.000 0.522 132 Y N 0.056 120.111 120.300 -0.409 0.000 2.492 132 Y HA 0.454 5.003 4.550 -0.001 0.000 0.346 132 Y C -0.522 175.413 175.900 0.058 0.000 0.997 132 Y CA -1.010 57.005 58.100 -0.143 0.000 1.025 132 Y CB 1.784 40.109 38.460 -0.224 0.000 1.263 132 Y HN 0.478 nan 8.280 nan 0.000 0.454 133 D N 2.321 122.948 120.400 0.378 0.000 2.575 133 D HA 0.567 5.207 4.640 -0.001 0.000 0.236 133 D C -0.918 175.528 176.300 0.243 0.000 1.075 133 D CA -0.370 53.819 54.000 0.314 0.000 0.860 133 D CB 2.424 43.511 40.800 0.478 0.000 1.475 133 D HN 0.367 nan 8.370 nan 0.000 0.474 134 I N 1.675 122.372 120.570 0.211 0.000 2.377 134 I HA 0.263 4.432 4.170 -0.001 0.000 0.293 134 I C -0.885 175.452 176.117 0.368 0.000 0.987 134 I CA -0.979 60.479 61.300 0.264 0.000 1.185 134 I CB 1.222 39.310 38.000 0.147 0.000 1.341 134 I HN 0.216 nan 8.210 nan 0.000 0.455 135 Y N 5.378 125.864 120.300 0.309 0.000 2.331 135 Y HA 0.274 4.823 4.550 -0.001 0.000 0.338 135 Y C -0.051 176.054 175.900 0.342 0.000 0.992 135 Y CA -0.657 57.629 58.100 0.310 0.000 1.121 135 Y CB 1.062 39.719 38.460 0.327 0.000 1.184 135 Y HN 0.492 nan 8.280 nan 0.000 0.469 136 D N 6.436 126.787 120.400 -0.082 0.000 2.352 136 D HA 0.065 4.704 4.640 -0.001 0.000 0.245 136 D C 0.733 176.816 176.300 -0.361 0.000 1.224 136 D CA 0.404 54.326 54.000 -0.130 0.000 0.879 136 D CB 0.855 41.612 40.800 -0.072 0.000 1.057 136 D HN 0.860 nan 8.370 nan 0.000 0.491 137 L N 3.609 124.681 121.223 -0.251 0.000 2.201 137 L HA -0.102 4.237 4.340 -0.001 0.000 0.212 137 L C 2.096 178.840 176.870 -0.209 0.000 1.105 137 L CA 0.573 55.323 54.840 -0.149 0.000 0.775 137 L CB -0.193 41.809 42.059 -0.095 0.000 0.913 137 L HN 0.404 nan 8.230 nan 0.000 0.440 138 N N 0.096 118.624 118.700 -0.288 0.000 2.396 138 N HA -0.116 4.624 4.740 -0.001 0.000 0.180 138 N C 1.330 176.737 175.510 -0.172 0.000 1.028 138 N CA 0.960 53.881 53.050 -0.216 0.000 0.893 138 N CB 0.184 38.529 38.487 -0.236 0.000 0.967 138 N HN 0.459 nan 8.380 nan 0.000 0.440 139 K N 0.112 120.391 120.400 -0.202 0.000 2.425 139 K HA 0.246 4.565 4.320 -0.001 0.000 0.201 139 K C -0.174 176.311 176.600 -0.192 0.000 1.128 139 K CA -0.189 55.999 56.287 -0.165 0.000 1.000 139 K CB 1.070 33.486 32.500 -0.139 0.000 0.961 139 K HN -0.092 nan 8.250 nan 0.000 0.555 140 R N 2.014 122.337 120.500 -0.294 0.000 3.332 140 R HA -0.167 4.172 4.340 -0.001 0.000 0.263 140 R C -1.010 175.047 176.300 -0.405 0.000 1.053 140 R CA 0.740 56.656 56.100 -0.307 0.000 0.705 140 R CB -1.943 28.318 30.300 -0.065 0.000 1.166 140 R HN 0.476 nan 8.270 nan 0.000 0.427 141 Q N -0.770 118.601 119.800 -0.715 0.000 2.391 141 Q HA 0.416 4.755 4.340 -0.001 0.000 0.279 141 Q C -0.869 174.958 176.000 -0.287 0.000 1.028 141 Q CA -1.320 54.277 55.803 -0.343 0.000 0.836 141 Q CB 1.361 30.027 28.738 -0.120 0.000 1.414 141 Q HN -0.074 nan 8.270 nan 0.000 0.397 142 L N 2.442 123.723 121.223 0.098 0.000 2.455 142 L HA 0.225 4.565 4.340 -0.001 0.000 0.272 142 L C 0.196 177.138 176.870 0.120 0.000 1.174 142 L CA 0.070 55.052 54.840 0.237 0.000 0.869 142 L CB -0.260 42.002 42.059 0.339 0.000 1.130 142 L HN 0.693 nan 8.230 nan 0.000 0.474 143 I N 2.989 123.634 120.570 0.126 0.000 2.598 143 I HA -0.038 4.131 4.170 -0.001 0.000 0.284 143 I C 1.449 177.602 176.117 0.060 0.000 1.140 143 I CA 0.600 61.944 61.300 0.073 0.000 1.420 143 I CB 0.828 38.858 38.000 0.051 0.000 1.387 143 I HN 0.751 nan 8.210 nan 0.000 0.553 144 T N 1.267 115.840 114.554 0.031 0.000 3.010 144 T HA 0.180 4.529 4.350 -0.001 0.000 0.257 144 T C 0.315 175.009 174.700 -0.011 0.000 1.020 144 T CA -0.393 61.717 62.100 0.016 0.000 0.938 144 T CB -0.095 68.782 68.868 0.015 0.000 1.049 144 T HN 0.583 nan 8.240 nan 0.000 0.522 145 E N 1.730 121.920 120.200 -0.017 0.000 2.191 145 E HA 0.286 4.635 4.350 -0.001 0.000 0.274 145 E C -0.795 175.772 176.600 -0.054 0.000 0.948 145 E CA -0.684 55.695 56.400 -0.034 0.000 0.802 145 E CB 1.023 30.708 29.700 -0.025 0.000 1.137 145 E HN 0.091 nan 8.360 nan 0.000 0.397 146 E N 1.100 121.256 120.200 -0.073 0.000 2.252 146 E HA -0.214 4.135 4.350 -0.001 0.000 0.218 146 E C -0.583 175.940 176.600 -0.128 0.000 1.253 146 E CA 0.628 56.968 56.400 -0.099 0.000 0.705 146 E CB -1.311 28.338 29.700 -0.085 0.000 1.172 146 E HN 0.562 nan 8.360 nan 0.000 0.369 147 R N -0.252 120.161 120.500 -0.144 0.000 2.615 147 R HA 0.407 4.746 4.340 -0.001 0.000 0.270 147 R C 1.074 177.192 176.300 -0.302 0.000 1.081 147 R CA -0.630 55.367 56.100 -0.172 0.000 1.154 147 R CB 0.566 30.794 30.300 -0.119 0.000 1.063 147 R HN 0.126 nan 8.270 nan 0.000 0.519 148 I N 4.019 124.365 120.570 -0.373 0.000 2.668 148 I HA 0.003 4.173 4.170 -0.001 0.000 0.285 148 I C -1.759 174.039 176.117 -0.531 0.000 1.168 148 I CA -1.318 59.591 61.300 -0.651 0.000 1.424 148 I CB 0.272 37.894 38.000 -0.630 0.000 1.377 148 I HN 0.314 nan 8.210 nan 0.000 0.560 149 P HA 0.085 nan 4.420 nan 0.000 0.272 149 P C -0.746 176.324 177.300 -0.383 0.000 1.240 149 P CA -0.414 62.282 63.100 -0.674 0.000 0.791 149 P CB 0.374 31.228 31.700 -1.410 0.000 0.978 150 N N 1.017 119.577 118.700 -0.234 0.000 2.415 150 N HA 0.007 4.747 4.740 -0.001 0.000 0.248 150 N C 0.216 175.780 175.510 0.090 0.000 1.271 150 N CA 0.235 53.219 53.050 -0.110 0.000 0.913 150 N CB -0.722 37.721 38.487 -0.073 0.000 1.129 150 N HN 0.426 nan 8.380 nan 0.000 0.444 151 N N -1.968 116.772 118.700 0.066 0.000 2.747 151 N HA -0.167 4.573 4.740 -0.001 0.000 0.249 151 N C -1.036 174.652 175.510 0.297 0.000 1.107 151 N CA 0.605 53.747 53.050 0.153 0.000 0.707 151 N CB -1.336 37.246 38.487 0.158 0.000 1.054 151 N HN 0.453 nan 8.380 nan 0.000 0.555 152 T N 0.295 115.013 114.554 0.273 0.000 2.870 152 T HA 0.062 4.411 4.350 -0.001 0.000 0.300 152 T C 1.425 176.299 174.700 0.290 0.000 0.989 152 T CA 0.069 62.368 62.100 0.332 0.000 1.139 152 T CB 1.234 70.236 68.868 0.223 0.000 0.920 152 T HN 0.183 nan 8.240 nan 0.000 0.537 153 Q N 1.865 121.824 119.800 0.266 0.000 2.204 153 Q HA 0.142 4.481 4.340 -0.001 0.000 0.198 153 Q C 0.147 176.308 176.000 0.269 0.000 0.946 153 Q CA 0.559 56.523 55.803 0.268 0.000 0.859 153 Q CB 0.643 29.490 28.738 0.181 0.000 0.946 153 Q HN 0.699 nan 8.270 nan 0.000 0.474 154 W N 0.449 121.718 121.300 -0.052 0.000 3.479 154 W HA 0.445 5.105 4.660 -0.001 0.000 0.304 154 W C -2.010 174.431 176.519 -0.130 0.000 1.243 154 W CA -0.863 56.403 57.345 -0.131 0.000 1.202 154 W CB 1.380 30.691 29.460 -0.249 0.000 1.346 154 W HN -0.259 nan 8.180 nan 0.000 0.539 155 V N 1.743 120.929 119.914 -1.213 0.000 2.656 155 V HA 0.850 4.969 4.120 -0.001 0.000 0.307 155 V C -0.896 174.564 176.094 -1.055 0.000 1.051 155 V CA -0.627 61.086 62.300 -0.978 0.000 0.893 155 V CB 1.237 32.387 31.823 -1.122 0.000 0.999 155 V HN 0.529 nan 8.190 nan 0.000 0.426 156 T N 3.830 118.124 114.554 -0.433 0.000 2.971 156 T HA 0.517 4.866 4.350 -0.001 0.000 0.304 156 T C -1.139 173.623 174.700 0.104 0.000 1.038 156 T CA -0.299 61.761 62.100 -0.066 0.000 1.007 156 T CB 0.841 69.938 68.868 0.382 0.000 1.055 156 T HN 0.742 nan 8.240 nan 0.000 0.451 157 W N 3.642 124.992 121.300 0.082 0.000 2.158 157 W HA 0.372 5.031 4.660 -0.001 0.000 0.339 157 W C 1.319 177.660 176.519 -0.296 0.000 1.294 157 W CA -0.644 56.682 57.345 -0.031 0.000 1.231 157 W CB 0.564 30.010 29.460 -0.023 0.000 1.143 157 W HN 0.769 nan 8.180 nan 0.000 0.571 158 S N 2.065 117.431 115.700 -0.556 0.000 2.584 158 S HA 0.100 4.569 4.470 -0.001 0.000 0.270 158 S C -1.799 172.493 174.600 -0.513 0.000 1.346 158 S CA -0.959 56.372 58.200 -1.449 0.000 1.018 158 S CB 0.888 63.178 63.200 -1.516 0.000 0.899 158 S HN 0.293 nan 8.310 nan 0.000 0.542 159 P HA 0.035 nan 4.420 nan 0.000 0.218 159 P C 0.297 177.539 177.300 -0.097 0.000 1.149 159 P CA 0.789 63.828 63.100 -0.101 0.000 0.817 159 P CB -0.177 31.509 31.700 -0.024 0.000 0.785 160 V N -6.090 113.728 119.914 -0.159 0.000 2.914 160 V HA 0.896 5.015 4.120 -0.001 0.000 0.314 160 V C 0.373 176.357 176.094 -0.183 0.000 1.084 160 V CA -0.278 61.944 62.300 -0.131 0.000 0.963 160 V CB 1.006 32.772 31.823 -0.095 0.000 1.025 160 V HN 0.441 nan 8.190 nan 0.000 0.432 161 G N 2.812 111.514 108.800 -0.162 0.000 2.498 161 G HA2 -0.154 3.805 3.960 -0.001 0.000 0.245 161 G HA3 -0.154 3.805 3.960 -0.001 0.000 0.245 161 G C 0.156 174.947 174.900 -0.182 0.000 1.204 161 G CA 0.569 45.529 45.100 -0.235 0.000 0.933 161 G HN 2.469 nan 8.290 nan 0.000 0.574 162 H N -0.498 118.569 119.070 -0.005 0.000 2.885 162 H HA 0.404 4.960 4.556 -0.001 0.000 0.237 162 H C 0.260 175.760 175.328 0.286 0.000 1.229 162 H CA -0.184 55.929 56.048 0.108 0.000 0.947 162 H CB -0.115 29.745 29.762 0.164 0.000 2.223 162 H HN 0.509 nan 8.280 nan 0.000 0.628 163 K N 1.404 121.880 120.400 0.126 0.000 2.258 163 K HA 0.310 4.629 4.320 -0.001 0.000 0.264 163 K C -0.777 175.944 176.600 0.202 0.000 1.007 163 K CA -0.562 55.790 56.287 0.109 0.000 0.941 163 K CB 1.306 33.735 32.500 -0.118 0.000 0.966 163 K HN 0.010 nan 8.250 nan 0.000 0.480 164 L N 1.553 122.914 121.223 0.230 0.000 2.409 164 L HA 0.469 4.808 4.340 -0.001 0.000 0.272 164 L C -1.320 175.734 176.870 0.306 0.000 0.980 164 L CA -0.296 54.624 54.840 0.134 0.000 0.826 164 L CB 1.626 43.587 42.059 -0.164 0.000 1.268 164 L HN 0.784 nan 8.230 nan 0.000 0.407 165 A N 4.349 127.396 122.820 0.379 0.000 2.337 165 A HA 0.844 5.163 4.320 -0.001 0.000 0.329 165 A C -1.622 175.999 177.584 0.063 0.000 1.146 165 A CA -0.356 51.769 52.037 0.147 0.000 0.800 165 A CB 0.984 19.964 19.000 -0.034 0.000 1.220 165 A HN 0.776 nan 8.150 nan 0.000 0.472 166 Y N -0.851 119.409 120.300 -0.066 0.000 2.597 166 Y HA 0.720 5.270 4.550 -0.001 0.000 0.340 166 Y C -1.357 174.556 175.900 0.021 0.000 1.097 166 Y CA -1.542 56.497 58.100 -0.101 0.000 1.037 166 Y CB 0.976 39.306 38.460 -0.217 0.000 1.305 166 Y HN 0.412 nan 8.280 nan 0.000 0.463 167 V N 2.344 122.404 119.914 0.243 0.000 2.495 167 V HA 0.420 4.539 4.120 -0.001 0.000 0.298 167 V C -1.463 174.861 176.094 0.383 0.000 1.031 167 V CA -0.583 61.832 62.300 0.190 0.000 0.871 167 V CB 1.374 33.218 31.823 0.035 0.000 0.988 167 V HN 0.877 nan 8.190 nan 0.000 0.432 168 W N 4.844 126.249 121.300 0.175 0.000 3.259 168 W HA 0.446 5.106 4.660 -0.001 0.000 0.331 168 W C 0.255 176.829 176.519 0.092 0.000 1.144 168 W CA -0.753 56.665 57.345 0.121 0.000 1.227 168 W CB 1.250 30.757 29.460 0.078 0.000 1.371 168 W HN 0.777 nan 8.180 nan 0.000 0.491 169 N N 5.664 123.993 118.700 -0.618 0.000 2.716 169 N HA -0.361 4.378 4.740 -0.001 0.000 0.250 169 N C 0.179 175.523 175.510 -0.275 0.000 1.033 169 N CA 1.063 53.760 53.050 -0.589 0.000 0.727 169 N CB -1.018 36.901 38.487 -0.948 0.000 0.950 169 N HN 0.825 nan 8.380 nan 0.000 0.541 170 N N -2.116 116.488 118.700 -0.159 0.000 2.909 170 N HA -0.162 4.577 4.740 -0.001 0.000 0.242 170 N C -1.193 174.243 175.510 -0.123 0.000 0.975 170 N CA 1.119 54.093 53.050 -0.126 0.000 0.921 170 N CB -0.381 37.988 38.487 -0.198 0.000 1.112 170 N HN 0.438 nan 8.380 nan 0.000 0.581 171 D N 0.536 120.872 120.400 -0.105 0.000 2.350 171 D HA 0.516 5.155 4.640 -0.001 0.000 0.238 171 D C 0.128 176.277 176.300 -0.253 0.000 0.989 171 D CA -0.349 53.516 54.000 -0.225 0.000 0.921 171 D CB 1.578 42.194 40.800 -0.308 0.000 1.297 171 D HN 0.019 nan 8.370 nan 0.000 0.490 172 I N 1.724 121.978 120.570 -0.526 0.000 2.353 172 I HA 0.219 4.388 4.170 -0.001 0.000 0.293 172 I C -0.657 174.985 176.117 -0.792 0.000 0.992 172 I CA -0.413 60.552 61.300 -0.558 0.000 1.268 172 I CB 0.545 38.130 38.000 -0.692 0.000 1.387 172 I HN 0.149 nan 8.210 nan 0.000 0.478 173 Y N 4.475 124.383 120.300 -0.654 0.000 2.485 173 Y HA 0.650 5.200 4.550 -0.001 0.000 0.345 173 Y C -0.302 175.236 175.900 -0.604 0.000 0.998 173 Y CA -1.042 56.625 58.100 -0.723 0.000 1.059 173 Y CB 2.037 39.809 38.460 -1.146 0.000 1.234 173 Y HN 0.117 nan 8.280 nan 0.000 0.461 174 V N 2.948 122.786 119.914 -0.126 0.000 2.540 174 V HA 0.417 4.536 4.120 -0.001 0.000 0.302 174 V C -0.799 175.416 176.094 0.202 0.000 1.035 174 V CA -1.313 61.021 62.300 0.057 0.000 0.873 174 V CB 1.909 33.789 31.823 0.095 0.000 0.992 174 V HN 0.637 nan 8.190 nan 0.000 0.428 175 K N 4.511 125.041 120.400 0.218 0.000 2.339 175 K HA 0.497 4.816 4.320 -0.001 0.000 0.264 175 K C 0.406 177.142 176.600 0.227 0.000 0.986 175 K CA -0.690 55.723 56.287 0.209 0.000 0.866 175 K CB 1.705 34.285 32.500 0.133 0.000 1.103 175 K HN 0.445 nan 8.250 nan 0.000 0.441 176 I N 1.194 121.923 120.570 0.265 0.000 2.286 176 I HA -0.078 4.092 4.170 -0.001 0.000 0.245 176 I C 0.481 176.720 176.117 0.204 0.000 1.104 176 I CA 1.439 62.869 61.300 0.217 0.000 1.397 176 I CB -0.202 37.930 38.000 0.221 0.000 1.072 176 I HN 0.552 nan 8.210 nan 0.000 0.417 177 E N 0.352 120.650 120.200 0.164 0.000 2.212 177 E HA 0.276 4.625 4.350 -0.001 0.000 0.268 177 E C -1.860 174.722 176.600 -0.030 0.000 0.902 177 E CA -2.138 54.320 56.400 0.098 0.000 0.779 177 E CB 1.579 31.334 29.700 0.092 0.000 1.172 177 E HN -0.095 nan 8.360 nan 0.000 0.409 178 P HA -0.136 nan 4.420 nan 0.000 0.219 178 P C 0.653 177.854 177.300 -0.166 0.000 1.146 178 P CA 1.337 64.272 63.100 -0.274 0.000 0.808 178 P CB 0.160 31.459 31.700 -0.668 0.000 0.779 179 N N -1.993 116.632 118.700 -0.125 0.000 2.236 179 N HA 0.080 4.820 4.740 -0.001 0.000 0.196 179 N C 0.259 175.743 175.510 -0.043 0.000 1.114 179 N CA -0.167 52.846 53.050 -0.062 0.000 0.859 179 N CB -0.075 38.396 38.487 -0.027 0.000 0.982 179 N HN 0.084 nan 8.380 nan 0.000 0.493 180 L N 0.876 122.077 121.223 -0.037 0.000 2.375 180 L HA 0.511 4.851 4.340 -0.001 0.000 0.268 180 L C -2.227 174.599 176.870 -0.073 0.000 1.058 180 L CA -2.402 52.417 54.840 -0.035 0.000 0.803 180 L CB 1.122 43.182 42.059 0.002 0.000 1.212 180 L HN -0.155 nan 8.230 nan 0.000 0.451 181 P HA -0.022 nan 4.420 nan 0.000 0.265 181 P C -0.742 176.416 177.300 -0.237 0.000 1.187 181 P CA -0.161 62.840 63.100 -0.165 0.000 0.766 181 P CB 0.469 32.055 31.700 -0.191 0.000 0.820 182 S N 2.391 118.010 115.700 -0.135 0.000 2.565 182 S HA 0.328 4.797 4.470 -0.001 0.000 0.274 182 S C -0.721 173.805 174.600 -0.123 0.000 1.309 182 S CA -0.442 57.726 58.200 -0.054 0.000 1.043 182 S CB -0.015 63.249 63.200 0.106 0.000 0.939 182 S HN 0.235 nan 8.310 nan 0.000 0.504 183 Y N 1.169 121.494 120.300 0.042 0.000 2.350 183 Y HA 0.390 4.939 4.550 -0.001 0.000 0.340 183 Y C 0.976 176.808 175.900 -0.114 0.000 1.006 183 Y CA -0.712 57.392 58.100 0.007 0.000 1.166 183 Y CB 0.779 39.243 38.460 0.006 0.000 1.168 183 Y HN 0.682 nan 8.280 nan 0.000 0.502 184 R N 3.011 123.466 120.500 -0.076 0.000 2.316 184 R HA 0.233 4.573 4.340 -0.001 0.000 0.314 184 R C -0.052 175.996 176.300 -0.420 0.000 1.069 184 R CA 0.046 55.781 56.100 -0.610 0.000 0.959 184 R CB 0.307 30.041 30.300 -0.943 0.000 0.987 184 R HN 0.813 nan 8.270 nan 0.000 0.446 185 I N 2.080 122.313 120.570 -0.561 0.000 2.628 185 I HA -0.036 4.133 4.170 -0.001 0.000 0.255 185 I C 0.816 176.743 176.117 -0.316 0.000 1.119 185 I CA 0.972 62.068 61.300 -0.340 0.000 1.448 185 I CB 0.145 37.896 38.000 -0.415 0.000 1.133 185 I HN 0.694 nan 8.210 nan 0.000 0.438 186 T N -3.862 110.352 114.554 -0.567 0.000 2.887 186 T HA 0.342 4.691 4.350 -0.001 0.000 0.288 186 T C -0.760 173.648 174.700 -0.488 0.000 1.021 186 T CA -0.563 61.312 62.100 -0.375 0.000 1.000 186 T CB 1.283 69.912 68.868 -0.399 0.000 1.034 186 T HN 0.185 nan 8.240 nan 0.000 0.467 187 W N 0.787 121.974 121.300 -0.189 0.000 2.499 187 W HA 0.256 4.916 4.660 -0.001 0.000 0.362 187 W C 1.688 178.150 176.519 -0.095 0.000 0.945 187 W CA -0.242 57.028 57.345 -0.126 0.000 1.721 187 W CB 0.440 29.845 29.460 -0.092 0.000 1.156 187 W HN 0.949 nan 8.180 nan 0.000 0.547 188 T N -3.434 111.149 114.554 0.048 0.000 3.001 188 T HA 0.287 4.637 4.350 -0.001 0.000 0.251 188 T C 1.255 175.943 174.700 -0.021 0.000 1.040 188 T CA 0.180 62.295 62.100 0.026 0.000 0.985 188 T CB -0.054 68.827 68.868 0.021 0.000 1.011 188 T HN -0.017 nan 8.240 nan 0.000 0.509 189 G N 1.420 110.177 108.800 -0.071 0.000 2.265 189 G HA2 0.363 4.322 3.960 -0.001 0.000 0.240 189 G HA3 0.363 4.322 3.960 -0.001 0.000 0.240 189 G C -0.629 174.200 174.900 -0.118 0.000 1.270 189 G CA -0.268 44.767 45.100 -0.109 0.000 0.901 189 G HN 0.552 nan 8.290 nan 0.000 0.507 190 K N 1.851 122.158 120.400 -0.154 0.000 2.565 190 K HA 0.157 4.476 4.320 -0.001 0.000 0.251 190 K C -0.343 176.128 176.600 -0.216 0.000 0.956 190 K CA -0.667 55.532 56.287 -0.147 0.000 0.809 190 K CB 1.755 34.206 32.500 -0.082 0.000 1.267 190 K HN 0.620 nan 8.250 nan 0.000 0.438 191 E N 3.122 123.210 120.200 -0.187 0.000 2.558 191 E HA -0.133 4.216 4.350 -0.001 0.000 0.255 191 E C -0.602 175.912 176.600 -0.142 0.000 0.968 191 E CA 0.987 57.279 56.400 -0.180 0.000 0.939 191 E CB 0.256 29.885 29.700 -0.118 0.000 0.921 191 E HN 0.644 nan 8.360 nan 0.000 0.477 192 D N 2.353 122.653 120.400 -0.167 0.000 2.946 192 D HA -0.242 4.397 4.640 -0.001 0.000 0.202 192 D C 0.494 176.827 176.300 0.055 0.000 1.068 192 D CA 1.580 55.602 54.000 0.037 0.000 1.011 192 D CB -0.978 39.883 40.800 0.101 0.000 1.105 192 D HN 0.511 nan 8.370 nan 0.000 0.425 193 I N -0.978 119.509 120.570 -0.138 0.000 3.669 193 I HA 0.084 4.253 4.170 -0.001 0.000 0.255 193 I C 0.284 176.435 176.117 0.056 0.000 1.144 193 I CA -0.021 61.295 61.300 0.028 0.000 1.447 193 I CB 0.697 38.706 38.000 0.014 0.000 1.622 193 I HN -0.174 nan 8.210 nan 0.000 0.435 194 I N 1.295 121.813 120.570 -0.088 0.000 2.378 194 I HA 0.271 4.440 4.170 -0.001 0.000 0.291 194 I C -1.446 174.612 176.117 -0.097 0.000 0.992 194 I CA -0.509 60.804 61.300 0.022 0.000 1.154 194 I CB 0.673 38.690 38.000 0.028 0.000 1.315 194 I HN 0.070 nan 8.210 nan 0.000 0.448 195 Y N 4.621 125.006 120.300 0.141 0.000 2.388 195 Y HA 0.378 4.927 4.550 -0.001 0.000 0.328 195 Y C 0.348 176.307 175.900 0.098 0.000 0.963 195 Y CA -0.659 57.528 58.100 0.144 0.000 1.240 195 Y CB 1.105 39.734 38.460 0.283 0.000 1.118 195 Y HN 0.422 nan 8.280 nan 0.000 0.484 196 N N 2.435 121.194 118.700 0.097 0.000 2.457 196 N HA 0.313 5.052 4.740 -0.001 0.000 0.250 196 N C 0.846 176.291 175.510 -0.108 0.000 0.982 196 N CA 0.500 53.541 53.050 -0.015 0.000 0.941 196 N CB 1.795 40.177 38.487 -0.175 0.000 1.120 196 N HN 1.007 nan 8.380 nan 0.000 0.505 197 G N 1.733 110.489 108.800 -0.074 0.000 2.184 197 G HA2 -0.264 3.696 3.960 -0.001 0.000 0.264 197 G HA3 -0.264 3.696 3.960 -0.001 0.000 0.264 197 G C 0.150 174.882 174.900 -0.279 0.000 0.975 197 G CA 0.744 45.719 45.100 -0.209 0.000 0.642 197 G HN 0.653 nan 8.290 nan 0.000 0.536 198 I N -1.714 118.762 120.570 -0.157 0.000 2.892 198 I HA 0.839 5.008 4.170 -0.001 0.000 0.306 198 I C 0.349 176.477 176.117 0.018 0.000 1.078 198 I CA -0.691 60.419 61.300 -0.317 0.000 1.032 198 I CB 2.062 39.678 38.000 -0.640 0.000 1.229 198 I HN 0.147 nan 8.210 nan 0.000 0.435 199 T N -0.508 113.985 114.554 -0.101 0.000 2.918 199 T HA 0.415 4.764 4.350 -0.001 0.000 0.283 199 T C -0.305 174.182 174.700 -0.354 0.000 1.001 199 T CA -0.706 61.198 62.100 -0.328 0.000 1.041 199 T CB 1.390 70.133 68.868 -0.209 0.000 1.028 199 T HN 0.772 nan 8.240 nan 0.000 0.511 200 D N 0.062 119.996 120.400 -0.777 0.000 2.506 200 D HA 0.051 4.691 4.640 -0.001 0.000 0.272 200 D C 0.888 177.103 176.300 -0.143 0.000 1.214 200 D CA -1.153 52.419 54.000 -0.713 0.000 1.067 200 D CB 0.293 40.597 40.800 -0.826 0.000 1.117 200 D HN 0.696 nan 8.370 nan 0.000 0.578 201 W N 0.316 121.556 121.300 -0.102 0.000 2.318 201 W HA -0.220 4.440 4.660 -0.001 0.000 0.313 201 W C 2.085 178.506 176.519 -0.162 0.000 1.221 201 W CA 2.227 59.508 57.345 -0.108 0.000 1.266 201 W CB -0.362 28.970 29.460 -0.214 0.000 1.150 201 W HN 0.201 nan 8.180 nan 0.000 0.496 202 V N -0.350 119.625 119.914 0.101 0.000 2.591 202 V HA -0.256 3.864 4.120 -0.001 0.000 0.249 202 V C 1.793 177.726 176.094 -0.269 0.000 1.053 202 V CA 1.814 64.069 62.300 -0.074 0.000 1.068 202 V CB -0.674 31.116 31.823 -0.055 0.000 0.689 202 V HN 0.272 nan 8.190 nan 0.000 0.462 203 Y N 0.571 120.709 120.300 -0.269 0.000 2.314 203 Y HA -0.150 4.399 4.550 -0.001 0.000 0.293 203 Y C 2.566 178.369 175.900 -0.162 0.000 1.129 203 Y CA 2.009 59.962 58.100 -0.245 0.000 1.201 203 Y CB -0.007 38.167 38.460 -0.477 0.000 0.999 203 Y HN 0.366 nan 8.280 nan 0.000 0.541 204 E N 0.325 120.479 120.200 -0.077 0.000 2.047 204 E HA -0.275 4.074 4.350 -0.001 0.000 0.191 204 E C 1.960 178.503 176.600 -0.095 0.000 0.987 204 E CA 1.510 57.886 56.400 -0.039 0.000 0.799 204 E CB 0.042 29.718 29.700 -0.042 0.000 0.752 204 E HN 0.364 nan 8.360 nan 0.000 0.449 205 E N 0.119 120.069 120.200 -0.417 0.000 2.112 205 E HA -0.121 4.228 4.350 -0.001 0.000 0.190 205 E C 1.451 177.925 176.600 -0.210 0.000 0.979 205 E CA 1.270 57.407 56.400 -0.438 0.000 0.814 205 E CB 0.269 29.336 29.700 -1.056 0.000 0.762 205 E HN 0.201 nan 8.360 nan 0.000 0.460 206 E N -1.069 118.990 120.200 -0.234 0.000 2.514 206 E HA 0.133 4.482 4.350 -0.001 0.000 0.215 206 E C 1.435 177.906 176.600 -0.214 0.000 0.946 206 E CA 0.283 56.586 56.400 -0.161 0.000 1.038 206 E CB 1.261 30.856 29.700 -0.175 0.000 1.069 206 E HN 0.165 nan 8.360 nan 0.000 0.503 207 V N -0.651 119.106 119.914 -0.261 0.000 2.950 207 V HA 0.099 4.218 4.120 -0.001 0.000 0.231 207 V C 1.272 177.146 176.094 -0.368 0.000 1.205 207 V CA 0.619 62.686 62.300 -0.389 0.000 1.239 207 V CB -0.105 31.387 31.823 -0.552 0.000 1.050 207 V HN 0.015 nan 8.190 nan 0.000 0.498 208 F N 0.546 120.510 119.950 0.024 0.000 2.731 208 F HA 0.308 4.834 4.527 -0.001 0.000 0.298 208 F C 1.524 177.288 175.800 -0.059 0.000 1.106 208 F CA 0.289 58.317 58.000 0.047 0.000 1.329 208 F CB 0.029 39.104 39.000 0.124 0.000 1.100 208 F HN 0.065 nan 8.300 nan 0.000 0.592 209 S N 0.525 116.238 115.700 0.022 0.000 3.581 209 S HA -0.017 4.452 4.470 -0.001 0.000 0.354 209 S C 0.063 174.207 174.600 -0.760 0.000 1.059 209 S CA 0.438 58.516 58.200 -0.204 0.000 1.060 209 S CB -1.812 61.327 63.200 -0.103 0.000 0.908 209 S HN 0.655 nan 8.310 nan 0.000 0.475 210 A N -0.814 121.797 122.820 -0.348 0.000 2.608 210 A HA 0.679 4.999 4.320 -0.001 0.000 0.292 210 A C -0.348 177.216 177.584 -0.032 0.000 1.066 210 A CA -0.436 51.442 52.037 -0.265 0.000 0.676 210 A CB 0.337 19.212 19.000 -0.208 0.000 1.277 210 A HN 0.320 nan 8.150 nan 0.000 0.413 211 Y N 1.376 121.531 120.300 -0.241 0.000 2.365 211 Y HA 0.054 4.603 4.550 -0.001 0.000 0.293 211 Y C 1.608 177.221 175.900 -0.479 0.000 1.119 211 Y CA 0.987 58.938 58.100 -0.247 0.000 1.203 211 Y CB 0.271 38.637 38.460 -0.156 0.000 1.026 211 Y HN 0.803 nan 8.280 nan 0.000 0.549 212 S N 0.623 115.782 115.700 -0.901 0.000 2.565 212 S HA 0.501 4.970 4.470 -0.001 0.000 0.276 212 S C -0.009 174.026 174.600 -0.942 0.000 1.326 212 S CA -0.216 57.220 58.200 -1.273 0.000 1.045 212 S CB 1.655 63.593 63.200 -2.103 0.000 0.918 212 S HN 0.344 nan 8.310 nan 0.000 0.505 213 A N 3.340 125.610 122.820 -0.916 0.000 3.176 213 A HA 0.568 4.887 4.320 -0.001 0.000 0.265 213 A C -0.479 176.343 177.584 -1.269 0.000 0.936 213 A CA -0.613 50.744 52.037 -1.133 0.000 1.033 213 A CB -0.142 18.681 19.000 -0.295 0.000 1.158 213 A HN 0.794 nan 8.150 nan 0.000 0.485 214 L N 0.616 121.010 121.223 -1.381 0.000 2.385 214 L HA 0.582 4.921 4.340 -0.001 0.000 0.273 214 L C -1.146 175.233 176.870 -0.819 0.000 0.990 214 L CA -0.503 53.858 54.840 -0.799 0.000 0.821 214 L CB 1.837 43.638 42.059 -0.431 0.000 1.279 214 L HN 0.486 nan 8.230 nan 0.000 0.412 215 W N 2.767 124.079 121.300 0.019 0.000 2.521 215 W HA 0.234 4.894 4.660 -0.001 0.000 0.310 215 W C -1.016 175.701 176.519 0.329 0.000 1.000 215 W CA -1.119 56.365 57.345 0.232 0.000 1.353 215 W CB 1.233 30.888 29.460 0.325 0.000 1.276 215 W HN 0.496 nan 8.180 nan 0.000 0.417 216 W N 2.463 123.963 121.300 0.334 0.000 2.181 216 W HA 0.173 4.832 4.660 -0.001 0.000 0.335 216 W C 1.380 177.704 176.519 -0.325 0.000 1.310 216 W CA 0.390 57.789 57.345 0.090 0.000 1.226 216 W CB 0.700 30.194 29.460 0.056 0.000 1.155 216 W HN 0.195 nan 8.180 nan 0.000 0.565 217 S N 2.847 118.212 115.700 -0.557 0.000 2.579 217 S HA 0.126 4.595 4.470 -0.001 0.000 0.275 217 S C -1.703 172.648 174.600 -0.416 0.000 1.345 217 S CA -1.002 56.386 58.200 -1.353 0.000 1.031 217 S CB 1.075 63.478 63.200 -1.329 0.000 0.892 217 S HN 0.292 nan 8.310 nan 0.000 0.529 218 P HA -0.177 nan 4.420 nan 0.000 0.216 218 P C 0.985 178.250 177.300 -0.059 0.000 1.154 218 P CA 1.705 64.770 63.100 -0.058 0.000 0.865 218 P CB -0.191 31.517 31.700 0.014 0.000 0.789 219 N N -1.934 116.716 118.700 -0.083 0.000 2.280 219 N HA 0.100 4.839 4.740 -0.001 0.000 0.192 219 N C 1.141 176.576 175.510 -0.125 0.000 1.109 219 N CA 0.657 53.655 53.050 -0.086 0.000 0.855 219 N CB -0.719 37.732 38.487 -0.061 0.000 0.974 219 N HN 0.176 nan 8.380 nan 0.000 0.482 220 G N -0.897 107.836 108.800 -0.111 0.000 2.179 220 G HA2 -0.342 3.617 3.960 -0.001 0.000 0.260 220 G HA3 -0.342 3.617 3.960 -0.001 0.000 0.260 220 G C 0.996 175.925 174.900 0.049 0.000 0.977 220 G CA 0.750 45.800 45.100 -0.084 0.000 0.641 220 G HN 0.369 nan 8.290 nan 0.000 0.533 221 T N 0.061 114.566 114.554 -0.082 0.000 2.652 221 T HA 0.075 4.424 4.350 -0.001 0.000 0.267 221 T C 0.854 175.414 174.700 -0.234 0.000 1.039 221 T CA 1.487 63.439 62.100 -0.246 0.000 1.153 221 T CB -0.129 68.449 68.868 -0.483 0.000 0.863 221 T HN 0.301 nan 8.240 nan 0.000 0.428 222 F N 0.404 120.393 119.950 0.064 0.000 2.421 222 F HA 0.574 5.100 4.527 -0.001 0.000 0.337 222 F C -0.170 175.704 175.800 0.124 0.000 1.105 222 F CA -1.554 56.519 58.000 0.122 0.000 1.049 222 F CB 1.060 40.193 39.000 0.221 0.000 1.139 222 F HN -0.075 nan 8.300 nan 0.000 0.479 223 L N 3.531 124.892 121.223 0.229 0.000 2.294 223 L HA 0.741 5.080 4.340 -0.001 0.000 0.283 223 L C -0.364 176.598 176.870 0.154 0.000 1.015 223 L CA -0.477 54.316 54.840 -0.077 0.000 0.831 223 L CB 0.478 42.208 42.059 -0.548 0.000 1.217 223 L HN 0.666 nan 8.230 nan 0.000 0.420 224 A N 5.182 128.170 122.820 0.280 0.000 2.310 224 A HA 0.683 5.003 4.320 -0.001 0.000 0.299 224 A C -1.285 176.368 177.584 0.115 0.000 1.147 224 A CA -0.245 51.862 52.037 0.118 0.000 0.818 224 A CB 0.306 19.478 19.000 0.287 0.000 1.096 224 A HN 0.810 nan 8.150 nan 0.000 0.495 225 Y N -1.065 118.987 120.300 -0.414 0.000 2.571 225 Y HA 0.756 5.305 4.550 -0.001 0.000 0.341 225 Y C -0.230 175.425 175.900 -0.408 0.000 1.076 225 Y CA -0.933 57.005 58.100 -0.269 0.000 1.029 225 Y CB 0.929 39.229 38.460 -0.267 0.000 1.308 225 Y HN 0.861 nan 8.280 nan 0.000 0.461 226 A N 2.479 125.318 122.820 0.030 0.000 2.282 226 A HA 0.654 4.973 4.320 -0.001 0.000 0.319 226 A C -1.014 176.428 177.584 -0.235 0.000 1.121 226 A CA -0.814 51.118 52.037 -0.174 0.000 0.836 226 A CB 1.513 20.389 19.000 -0.207 0.000 1.146 226 A HN 0.826 nan 8.150 nan 0.000 0.494 227 Q N 1.125 120.709 119.800 -0.360 0.000 2.290 227 Q HA 0.562 4.902 4.340 -0.001 0.000 0.269 227 Q C -2.042 173.736 176.000 -0.370 0.000 1.016 227 Q CA -0.340 55.369 55.803 -0.157 0.000 0.754 227 Q CB 0.905 29.774 28.738 0.220 0.000 1.247 227 Q HN 0.588 nan 8.270 nan 0.000 0.451 228 F N 2.350 122.395 119.950 0.158 0.000 2.422 228 F HA 0.444 4.970 4.527 -0.001 0.000 0.333 228 F C 0.520 176.484 175.800 0.273 0.000 1.095 228 F CA -0.854 57.226 58.000 0.134 0.000 1.038 228 F CB 1.235 40.222 39.000 -0.022 0.000 1.156 228 F HN 0.452 nan 8.300 nan 0.000 0.483 229 N N 1.658 120.600 118.700 0.402 0.000 2.491 229 N HA 0.219 4.958 4.740 -0.001 0.000 0.274 229 N C -1.018 174.677 175.510 0.308 0.000 1.023 229 N CA -0.434 52.807 53.050 0.319 0.000 0.902 229 N CB 0.967 39.580 38.487 0.211 0.000 1.267 229 N HN 0.487 nan 8.380 nan 0.000 0.503 230 D N 1.696 122.303 120.400 0.346 0.000 2.427 230 D HA 0.134 4.773 4.640 -0.001 0.000 0.224 230 D C 1.131 177.553 176.300 0.203 0.000 1.157 230 D CA 0.160 54.338 54.000 0.296 0.000 0.828 230 D CB 0.439 41.478 40.800 0.399 0.000 0.974 230 D HN 0.497 nan 8.370 nan 0.000 0.498 231 T N 0.359 115.011 114.554 0.163 0.000 2.653 231 T HA -0.190 4.160 4.350 -0.001 0.000 0.268 231 T C 1.302 176.061 174.700 0.097 0.000 1.035 231 T CA 1.285 63.453 62.100 0.114 0.000 1.154 231 T CB 0.027 68.951 68.868 0.093 0.000 0.862 231 T HN 0.330 nan 8.240 nan 0.000 0.441 232 E N 0.328 120.587 120.200 0.099 0.000 2.538 232 E HA 0.178 4.527 4.350 -0.001 0.000 0.207 232 E C -0.444 176.208 176.600 0.086 0.000 1.002 232 E CA -0.175 56.273 56.400 0.079 0.000 0.952 232 E CB 0.705 30.445 29.700 0.065 0.000 1.031 232 E HN 0.217 nan 8.360 nan 0.000 0.476 233 V N 4.096 124.077 119.914 0.111 0.000 2.479 233 V HA 0.077 4.197 4.120 -0.001 0.000 0.281 233 V C -2.013 174.144 176.094 0.105 0.000 1.031 233 V CA -1.256 61.114 62.300 0.117 0.000 1.038 233 V CB 0.085 31.998 31.823 0.150 0.000 0.981 233 V HN 0.042 nan 8.190 nan 0.000 0.478 234 P HA 0.309 nan 4.420 nan 0.000 0.274 234 P C -0.778 176.569 177.300 0.078 0.000 1.237 234 P CA -0.385 62.759 63.100 0.075 0.000 0.793 234 P CB 0.540 32.281 31.700 0.068 0.000 0.977 235 L N 2.031 123.278 121.223 0.039 0.000 2.275 235 L HA 0.405 4.745 4.340 -0.001 0.000 0.288 235 L C 0.502 177.336 176.870 -0.060 0.000 1.046 235 L CA -1.014 53.831 54.840 0.009 0.000 0.805 235 L CB 0.758 42.813 42.059 -0.007 0.000 1.193 235 L HN 0.288 nan 8.230 nan 0.000 0.426 236 I N 3.077 123.568 120.570 -0.132 0.000 2.556 236 I HA 0.108 4.277 4.170 -0.001 0.000 0.284 236 I C -0.084 175.892 176.117 -0.235 0.000 1.114 236 I CA 0.469 61.587 61.300 -0.303 0.000 1.418 236 I CB 0.414 37.959 38.000 -0.758 0.000 1.394 236 I HN 0.587 nan 8.210 nan 0.000 0.552 237 E N 7.510 127.591 120.200 -0.199 0.000 2.210 237 E HA 0.492 4.841 4.350 -0.001 0.000 0.266 237 E C -1.691 174.845 176.600 -0.106 0.000 0.883 237 E CA -0.590 55.688 56.400 -0.203 0.000 0.761 237 E CB 1.908 31.522 29.700 -0.144 0.000 1.156 237 E HN 0.569 nan 8.360 nan 0.000 0.412 238 Y N -1.653 118.559 120.300 -0.148 0.000 2.625 238 Y HA 0.559 5.108 4.550 -0.001 0.000 0.338 238 Y C -0.534 175.293 175.900 -0.122 0.000 1.123 238 Y CA -1.333 56.687 58.100 -0.133 0.000 1.046 238 Y CB 0.852 39.236 38.460 -0.126 0.000 1.299 238 Y HN 0.191 nan 8.280 nan 0.000 0.464 239 S N 1.645 117.342 115.700 -0.006 0.000 2.565 239 S HA 0.441 4.911 4.470 -0.001 0.000 0.276 239 S C -1.403 173.037 174.600 -0.268 0.000 1.326 239 S CA -0.357 57.682 58.200 -0.267 0.000 1.045 239 S CB 0.163 63.062 63.200 -0.501 0.000 0.918 239 S HN 0.526 nan 8.310 nan 0.000 0.505 240 F N 2.606 122.280 119.950 -0.460 0.000 2.507 240 F HA 0.412 4.939 4.527 -0.000 0.000 0.328 240 F C -0.198 175.372 175.800 -0.384 0.000 1.136 240 F CA -0.772 57.045 58.000 -0.305 0.000 0.930 240 F CB 0.816 39.773 39.000 -0.071 0.000 1.166 240 F HN 0.680 nan 8.300 nan 0.000 0.436 241 Y N 2.743 122.829 120.300 -0.357 0.000 2.448 241 Y HA 0.091 4.641 4.550 -0.000 0.000 0.289 241 Y C 1.731 177.562 175.900 -0.115 0.000 1.114 241 Y CA 1.148 59.132 58.100 -0.193 0.000 1.235 241 Y CB -0.392 37.936 38.460 -0.220 0.000 1.045 241 Y HN 0.748 nan 8.280 nan 0.000 0.554 242 S N -0.255 115.362 115.700 -0.139 0.000 3.443 242 S HA -0.228 4.241 4.470 -0.001 0.000 0.635 242 S C -0.618 174.036 174.600 0.090 0.000 2.555 242 S CA 0.316 58.601 58.200 0.142 0.000 2.778 242 S CB -1.233 62.160 63.200 0.321 0.000 0.331 242 S HN 0.435 nan 8.310 nan 0.000 1.765 243 D N 1.696 122.169 120.400 0.122 0.000 2.400 243 D HA 0.190 4.829 4.640 -0.001 0.000 0.238 243 D C 1.370 177.706 176.300 0.060 0.000 1.157 243 D CA 0.561 54.609 54.000 0.080 0.000 0.889 243 D CB 0.284 41.132 40.800 0.080 0.000 1.199 243 D HN 0.617 nan 8.370 nan 0.000 0.436 244 E N 0.779 121.002 120.200 0.038 0.000 2.208 244 E HA -0.282 4.067 4.350 -0.001 0.000 0.202 244 E C 1.367 177.982 176.600 0.025 0.000 1.014 244 E CA 1.563 57.976 56.400 0.022 0.000 0.819 244 E CB 0.137 29.843 29.700 0.010 0.000 0.735 244 E HN 0.448 nan 8.360 nan 0.000 0.469 245 S N -0.025 115.697 115.700 0.036 0.000 2.481 245 S HA -0.054 4.415 4.470 -0.001 0.000 0.231 245 S C 1.127 175.756 174.600 0.048 0.000 0.996 245 S CA -0.021 58.201 58.200 0.037 0.000 0.942 245 S CB -0.153 63.070 63.200 0.039 0.000 0.768 245 S HN 0.265 nan 8.310 nan 0.000 0.520 246 L N 2.406 123.666 121.223 0.063 0.000 2.456 246 L HA 0.148 4.487 4.340 -0.001 0.000 0.277 246 L C 1.608 178.517 176.870 0.064 0.000 1.124 246 L CA -0.023 54.867 54.840 0.082 0.000 0.880 246 L CB 0.877 43.000 42.059 0.108 0.000 1.192 246 L HN 0.435 nan 8.230 nan 0.000 0.463 247 Q N 3.987 123.831 119.800 0.073 0.000 2.046 247 Q HA -0.104 4.235 4.340 -0.001 0.000 0.200 247 Q C -0.561 175.362 176.000 -0.127 0.000 0.975 247 Q CA 1.425 57.220 55.803 -0.013 0.000 0.836 247 Q CB 0.217 28.987 28.738 0.054 0.000 0.896 247 Q HN 0.588 nan 8.270 nan 0.000 0.428 248 Y N 0.467 120.783 120.300 0.026 0.000 2.341 248 Y HA 0.369 4.919 4.550 -0.000 0.000 0.338 248 Y C -2.017 173.897 175.900 0.023 0.000 0.965 248 Y CA -2.916 55.197 58.100 0.021 0.000 1.108 248 Y CB 1.370 39.834 38.460 0.006 0.000 1.180 248 Y HN 0.159 nan 8.280 nan 0.000 0.458 249 P HA -0.024 nan 4.420 nan 0.000 0.267 249 P C -0.716 176.601 177.300 0.029 0.000 1.201 249 P CA -0.319 62.805 63.100 0.041 0.000 0.775 249 P CB 0.720 32.383 31.700 -0.061 0.000 0.854 250 K N 0.925 121.326 120.400 0.002 0.000 2.130 250 K HA 0.324 4.644 4.320 -0.001 0.000 0.268 250 K C -0.696 175.862 176.600 -0.071 0.000 0.983 250 K CA -0.367 55.917 56.287 -0.005 0.000 0.893 250 K CB 0.634 33.154 32.500 0.034 0.000 1.066 250 K HN 0.334 nan 8.250 nan 0.000 0.450 251 T N 3.082 117.580 114.554 -0.094 0.000 2.728 251 T HA 0.187 4.537 4.350 -0.001 0.000 0.296 251 T C -0.312 174.266 174.700 -0.204 0.000 0.940 251 T CA -0.607 61.402 62.100 -0.151 0.000 1.013 251 T CB 0.839 69.633 68.868 -0.124 0.000 0.912 251 T HN 0.270 nan 8.240 nan 0.000 0.484 252 V N 5.660 125.361 119.914 -0.355 0.000 2.530 252 V HA 0.389 4.509 4.120 -0.001 0.000 0.282 252 V C 0.511 176.327 176.094 -0.463 0.000 1.048 252 V CA -0.489 61.543 62.300 -0.447 0.000 0.997 252 V CB 0.604 32.014 31.823 -0.687 0.000 0.987 252 V HN 0.731 nan 8.190 nan 0.000 0.477 253 R N 3.452 123.809 120.500 -0.239 0.000 2.513 253 R HA 0.755 5.094 4.340 -0.001 0.000 0.301 253 R C -1.696 174.581 176.300 -0.038 0.000 0.968 253 R CA -0.629 55.378 56.100 -0.155 0.000 0.872 253 R CB 2.281 32.526 30.300 -0.092 0.000 1.177 253 R HN 0.497 nan 8.270 nan 0.000 0.444 254 V N 4.164 124.059 119.914 -0.031 0.000 2.525 254 V HA 0.310 4.430 4.120 -0.001 0.000 0.299 254 V C -2.387 173.760 176.094 0.089 0.000 1.034 254 V CA -2.367 59.981 62.300 0.079 0.000 0.863 254 V CB 2.285 34.108 31.823 -0.001 0.000 0.999 254 V HN 0.621 nan 8.190 nan 0.000 0.423 255 P HA 0.133 nan 4.420 nan 0.000 0.261 255 P C -1.292 176.121 177.300 0.188 0.000 1.203 255 P CA 0.486 63.698 63.100 0.187 0.000 0.767 255 P CB -0.217 31.637 31.700 0.258 0.000 0.785 256 Y N 6.157 126.448 120.300 -0.014 0.000 2.307 256 Y HA 0.360 4.910 4.550 -0.001 0.000 0.323 256 Y C -2.682 173.207 175.900 -0.018 0.000 1.100 256 Y CA -2.719 55.326 58.100 -0.091 0.000 1.140 256 Y CB 2.057 40.351 38.460 -0.277 0.000 1.159 256 Y HN 0.290 nan 8.280 nan 0.000 0.436 257 P HA 0.233 nan 4.420 nan 0.000 0.287 257 P C -1.083 176.266 177.300 0.083 0.000 1.307 257 P CA -0.149 62.990 63.100 0.065 0.000 0.777 257 P CB 1.332 33.054 31.700 0.036 0.000 0.883 258 K N 1.988 122.535 120.400 0.245 0.000 2.102 258 K HA 0.528 4.847 4.320 -0.001 0.000 0.244 258 K C 0.547 177.258 176.600 0.185 0.000 1.021 258 K CA -0.752 55.699 56.287 0.273 0.000 0.913 258 K CB 0.568 33.248 32.500 0.300 0.000 1.062 258 K HN 0.436 nan 8.250 nan 0.000 0.485 259 A N 0.707 123.662 122.820 0.226 0.000 2.566 259 A HA 0.305 4.624 4.320 -0.001 0.000 0.245 259 A C 1.135 178.763 177.584 0.073 0.000 1.056 259 A CA 0.894 53.050 52.037 0.198 0.000 0.757 259 A CB -1.148 18.071 19.000 0.365 0.000 0.979 259 A HN 0.896 nan 8.150 nan 0.000 0.508 260 G N 0.799 109.629 108.800 0.050 0.000 2.162 260 G HA2 0.117 4.076 3.960 -0.001 0.000 0.260 260 G HA3 0.117 4.076 3.960 -0.001 0.000 0.260 260 G C 0.593 175.507 174.900 0.024 0.000 0.976 260 G CA 0.751 45.853 45.100 0.004 0.000 0.655 260 G HN 2.119 nan 8.290 nan 0.000 0.533 261 A N -0.728 122.125 122.820 0.055 0.000 2.240 261 A HA 0.803 5.122 4.320 -0.001 0.000 0.292 261 A C 0.783 178.400 177.584 0.056 0.000 1.121 261 A CA 0.154 52.227 52.037 0.060 0.000 0.851 261 A CB 0.847 19.899 19.000 0.087 0.000 1.167 261 A HN 1.139 nan 8.150 nan 0.000 0.503 262 V N 2.360 122.308 119.914 0.057 0.000 2.529 262 V HA 0.026 4.145 4.120 -0.001 0.000 0.292 262 V C 0.329 176.468 176.094 0.074 0.000 1.028 262 V CA -0.092 62.242 62.300 0.056 0.000 1.074 262 V CB -0.169 31.687 31.823 0.055 0.000 0.958 262 V HN 0.783 nan 8.190 nan 0.000 0.481 263 N N 6.327 125.067 118.700 0.067 0.000 2.493 263 N HA 0.422 5.161 4.740 -0.001 0.000 0.275 263 N C -2.362 173.230 175.510 0.137 0.000 1.186 263 N CA -1.540 51.570 53.050 0.101 0.000 0.978 263 N CB 0.886 39.414 38.487 0.069 0.000 1.184 263 N HN 0.388 nan 8.380 nan 0.000 0.487 264 P HA 0.020 nan 4.420 nan 0.000 0.268 264 P C -0.404 177.051 177.300 0.258 0.000 1.208 264 P CA 0.021 63.288 63.100 0.279 0.000 0.777 264 P CB 0.163 32.104 31.700 0.402 0.000 0.875 265 T N -1.279 113.406 114.554 0.219 0.000 2.943 265 T HA 0.555 4.904 4.350 -0.001 0.000 0.284 265 T C -0.297 174.527 174.700 0.207 0.000 1.015 265 T CA -0.859 61.328 62.100 0.145 0.000 1.042 265 T CB 1.550 70.465 68.868 0.079 0.000 1.055 265 T HN 0.305 nan 8.240 nan 0.000 0.500 266 V N 0.965 120.975 119.914 0.160 0.000 2.735 266 V HA 0.724 4.843 4.120 -0.001 0.000 0.310 266 V C -1.217 174.957 176.094 0.132 0.000 1.061 266 V CA -0.814 61.551 62.300 0.109 0.000 0.913 266 V CB 1.903 33.853 31.823 0.211 0.000 1.005 266 V HN 1.031 nan 8.190 nan 0.000 0.428 267 K N 4.620 125.028 120.400 0.013 0.000 2.395 267 K HA 0.605 4.924 4.320 -0.001 0.000 0.247 267 K C -1.876 174.635 176.600 -0.148 0.000 0.973 267 K CA -0.529 55.726 56.287 -0.053 0.000 0.828 267 K CB 2.742 35.191 32.500 -0.084 0.000 1.272 267 K HN 0.571 nan 8.250 nan 0.000 0.439 268 F N 2.061 121.702 119.950 -0.516 0.000 2.529 268 F HA 0.555 5.081 4.527 -0.001 0.000 0.320 268 F C -1.524 173.739 175.800 -0.896 0.000 1.118 268 F CA -0.619 57.069 58.000 -0.521 0.000 0.915 268 F CB 0.915 39.760 39.000 -0.258 0.000 1.161 268 F HN 0.385 nan 8.300 nan 0.000 0.445 269 F N 3.978 123.222 119.950 -1.176 0.000 2.613 269 F HA 0.766 5.292 4.527 -0.001 0.000 0.314 269 F C -1.015 174.158 175.800 -1.044 0.000 1.075 269 F CA -1.194 56.215 58.000 -0.985 0.000 0.945 269 F CB 2.175 40.469 39.000 -1.177 0.000 1.310 269 F HN 0.111 nan 8.300 nan 0.000 0.467 270 V N 2.533 122.256 119.914 -0.317 0.000 2.577 270 V HA 0.597 4.716 4.120 -0.001 0.000 0.303 270 V C -1.196 174.999 176.094 0.168 0.000 1.042 270 V CA -0.836 61.361 62.300 -0.172 0.000 0.872 270 V CB 1.974 33.488 31.823 -0.515 0.000 0.998 270 V HN 0.596 nan 8.190 nan 0.000 0.423 271 V N 4.281 124.364 119.914 0.282 0.000 2.604 271 V HA 0.568 4.687 4.120 -0.001 0.000 0.305 271 V C -0.293 176.042 176.094 0.402 0.000 1.043 271 V CA -0.596 61.895 62.300 0.318 0.000 0.888 271 V CB 2.085 34.035 31.823 0.211 0.000 0.995 271 V HN 0.927 nan 8.190 nan 0.000 0.429 272 N N 3.691 122.613 118.700 0.370 0.000 2.402 272 N HA 0.102 4.841 4.740 -0.001 0.000 0.252 272 N C 1.111 176.623 175.510 0.003 0.000 1.118 272 N CA 0.613 53.749 53.050 0.144 0.000 0.945 272 N CB 1.593 40.148 38.487 0.114 0.000 1.147 272 N HN 0.915 nan 8.380 nan 0.000 0.495 273 T N -0.363 114.177 114.554 -0.024 0.000 3.118 273 T HA 0.018 4.368 4.350 -0.001 0.000 0.260 273 T C 0.698 175.348 174.700 -0.083 0.000 1.139 273 T CA 0.584 62.675 62.100 -0.015 0.000 1.085 273 T CB 0.187 69.149 68.868 0.156 0.000 0.934 273 T HN 0.247 nan 8.240 nan 0.000 0.518 274 D N 1.955 122.280 120.400 -0.124 0.000 2.289 274 D HA 0.035 4.675 4.640 -0.001 0.000 0.207 274 D C 1.738 177.974 176.300 -0.107 0.000 0.966 274 D CA 1.010 54.937 54.000 -0.121 0.000 0.868 274 D CB 0.104 40.814 40.800 -0.150 0.000 0.943 274 D HN 0.657 nan 8.370 nan 0.000 0.514 275 S N -0.144 115.496 115.700 -0.099 0.000 2.601 275 S HA 0.192 4.662 4.470 -0.001 0.000 0.244 275 S C 0.372 174.917 174.600 -0.091 0.000 1.001 275 S CA -0.606 57.555 58.200 -0.065 0.000 0.984 275 S CB 0.124 63.317 63.200 -0.012 0.000 0.842 275 S HN -0.138 nan 8.310 nan 0.000 0.474 276 L N 2.789 123.889 121.223 -0.205 0.000 2.490 276 L HA 0.402 4.742 4.340 -0.001 0.000 0.274 276 L C 0.575 177.278 176.870 -0.277 0.000 1.201 276 L CA 0.490 55.125 54.840 -0.342 0.000 0.869 276 L CB 0.780 42.373 42.059 -0.777 0.000 1.123 276 L HN 0.381 nan 8.230 nan 0.000 0.484 277 S N 0.419 116.081 115.700 -0.063 0.000 2.537 277 S HA 0.421 4.890 4.470 -0.001 0.000 0.301 277 S C 0.876 175.664 174.600 0.313 0.000 1.092 277 S CA -0.116 58.149 58.200 0.107 0.000 1.048 277 S CB 1.251 64.501 63.200 0.083 0.000 1.053 277 S HN 0.705 nan 8.310 nan 0.000 0.501 278 S N 2.933 118.841 115.700 0.347 0.000 2.558 278 S HA 0.055 4.524 4.470 -0.001 0.000 0.217 278 S C 1.212 175.908 174.600 0.159 0.000 0.975 278 S CA 0.258 58.620 58.200 0.270 0.000 0.912 278 S CB -0.032 63.268 63.200 0.168 0.000 0.776 278 S HN 0.473 nan 8.310 nan 0.000 0.526 279 V N 1.855 121.850 119.914 0.134 0.000 2.581 279 V HA 0.144 4.263 4.120 -0.001 0.000 0.240 279 V C 1.524 177.665 176.094 0.079 0.000 1.054 279 V CA 1.346 63.699 62.300 0.088 0.000 1.076 279 V CB -0.200 31.663 31.823 0.067 0.000 0.748 279 V HN 0.772 nan 8.190 nan 0.000 0.474 280 T N -1.283 113.322 114.554 0.085 0.000 2.943 280 T HA 0.382 4.731 4.350 -0.001 0.000 0.284 280 T C -0.137 174.620 174.700 0.095 0.000 1.015 280 T CA -0.671 61.468 62.100 0.064 0.000 1.042 280 T CB 1.364 70.260 68.868 0.047 0.000 1.055 280 T HN 0.104 nan 8.240 nan 0.000 0.500 281 N N 1.005 119.743 118.700 0.064 0.000 2.508 281 N HA 0.415 5.154 4.740 -0.001 0.000 0.264 281 N C 0.172 175.748 175.510 0.110 0.000 1.216 281 N CA -0.143 52.972 53.050 0.108 0.000 0.943 281 N CB 0.751 39.242 38.487 0.006 0.000 1.113 281 N HN 0.990 nan 8.380 nan 0.000 0.447 282 A N 1.027 123.934 122.820 0.145 0.000 2.511 282 A HA 0.146 4.465 4.320 -0.001 0.000 0.242 282 A C 0.652 178.291 177.584 0.092 0.000 1.069 282 A CA 0.037 52.130 52.037 0.095 0.000 0.763 282 A CB -0.171 18.869 19.000 0.066 0.000 1.001 282 A HN 0.556 nan 8.150 nan 0.000 0.498 283 T N 1.911 116.523 114.554 0.096 0.000 2.733 283 T HA 0.481 4.830 4.350 -0.001 0.000 0.294 283 T C -0.103 174.688 174.700 0.152 0.000 0.956 283 T CA -0.339 61.829 62.100 0.113 0.000 0.987 283 T CB -0.152 68.787 68.868 0.119 0.000 0.920 283 T HN 0.503 nan 8.240 nan 0.000 0.470 284 S N 6.194 121.977 115.700 0.137 0.000 2.438 284 S HA 0.474 4.943 4.470 -0.001 0.000 0.316 284 S C 0.044 174.802 174.600 0.264 0.000 1.084 284 S CA -0.884 57.423 58.200 0.179 0.000 1.107 284 S CB 0.358 63.599 63.200 0.068 0.000 0.981 284 S HN 0.672 nan 8.310 nan 0.000 0.466 285 I N 3.331 124.078 120.570 0.295 0.000 2.352 285 I HA 0.224 4.393 4.170 -0.001 0.000 0.290 285 I C 0.707 176.961 176.117 0.228 0.000 1.036 285 I CA -0.155 61.326 61.300 0.302 0.000 1.336 285 I CB 0.383 38.640 38.000 0.428 0.000 1.407 285 I HN 0.670 nan 8.210 nan 0.000 0.497 286 Q N 6.146 126.055 119.800 0.181 0.000 2.304 286 Q HA 0.399 4.738 4.340 -0.001 0.000 0.260 286 Q C -0.875 175.067 176.000 -0.096 0.000 0.965 286 Q CA -0.304 55.402 55.803 -0.162 0.000 0.898 286 Q CB 1.011 29.624 28.738 -0.209 0.000 1.196 286 Q HN 0.542 nan 8.270 nan 0.000 0.402 287 I N 4.086 124.577 120.570 -0.131 0.000 2.330 287 I HA 0.197 4.366 4.170 -0.001 0.000 0.289 287 I C 0.305 176.395 176.117 -0.045 0.000 1.001 287 I CA -0.724 60.566 61.300 -0.017 0.000 1.193 287 I CB 1.370 39.395 38.000 0.043 0.000 1.345 287 I HN 0.627 nan 8.210 nan 0.000 0.461 288 T N 3.030 117.519 114.554 -0.108 0.000 2.910 288 T HA 0.620 4.969 4.350 -0.001 0.000 0.293 288 T C 0.437 174.901 174.700 -0.394 0.000 1.015 288 T CA -0.855 61.118 62.100 -0.212 0.000 1.094 288 T CB 1.541 70.294 68.868 -0.192 0.000 0.968 288 T HN 0.620 nan 8.240 nan 0.000 0.521 289 A N 4.042 126.376 122.820 -0.810 0.000 2.507 289 A HA 0.478 4.798 4.320 -0.001 0.000 0.235 289 A C -2.038 175.019 177.584 -0.879 0.000 1.070 289 A CA -1.165 49.920 52.037 -1.587 0.000 0.768 289 A CB -0.946 16.808 19.000 -2.078 0.000 1.011 289 A HN 0.732 nan 8.150 nan 0.000 0.502 290 P HA 0.174 nan 4.420 nan 0.000 0.269 290 P C 0.796 177.877 177.300 -0.365 0.000 1.217 290 P CA 0.639 63.494 63.100 -0.409 0.000 0.783 290 P CB 0.522 32.056 31.700 -0.277 0.000 0.898 291 A N 1.700 124.380 122.820 -0.233 0.000 1.978 291 A HA -0.188 4.132 4.320 -0.001 0.000 0.220 291 A C 2.051 179.531 177.584 -0.174 0.000 1.170 291 A CA 2.253 54.177 52.037 -0.187 0.000 0.636 291 A CB -1.758 17.166 19.000 -0.127 0.000 0.810 291 A HN 0.621 nan 8.150 nan 0.000 0.448 292 S N -1.639 113.975 115.700 -0.144 0.000 2.515 292 S HA -0.009 4.460 4.470 -0.001 0.000 0.231 292 S C 1.636 176.160 174.600 -0.128 0.000 0.987 292 S CA 1.293 59.434 58.200 -0.100 0.000 0.936 292 S CB -0.196 63.017 63.200 0.021 0.000 0.766 292 S HN 0.385 nan 8.310 nan 0.000 0.528 293 M N 0.549 120.000 119.600 -0.249 0.000 2.615 293 M HA 0.394 4.873 4.480 -0.001 0.000 0.262 293 M C 1.804 177.817 176.300 -0.478 0.000 1.198 293 M CA 0.569 55.644 55.300 -0.375 0.000 1.165 293 M CB -0.931 31.281 32.600 -0.646 0.000 1.310 293 M HN 0.322 nan 8.290 nan 0.000 0.494 294 L N -0.217 120.745 121.223 -0.435 0.000 2.376 294 L HA -0.108 4.231 4.340 -0.001 0.000 0.219 294 L C 2.269 179.071 176.870 -0.114 0.000 1.133 294 L CA 0.345 55.019 54.840 -0.277 0.000 0.816 294 L CB -0.594 41.315 42.059 -0.249 0.000 0.933 294 L HN 0.158 nan 8.230 nan 0.000 0.449 295 I N -0.272 120.228 120.570 -0.116 0.000 2.530 295 I HA -0.115 4.055 4.170 -0.001 0.000 0.257 295 I C 1.117 177.212 176.117 -0.036 0.000 1.179 295 I CA 1.008 62.263 61.300 -0.074 0.000 1.440 295 I CB -0.087 37.858 38.000 -0.091 0.000 1.087 295 I HN 0.192 nan 8.210 nan 0.000 0.440 296 G N -1.711 107.088 108.800 -0.001 0.000 2.706 296 G HA2 0.235 4.194 3.960 -0.001 0.000 0.307 296 G HA3 0.235 4.194 3.960 -0.001 0.000 0.307 296 G C -1.599 173.361 174.900 0.101 0.000 1.307 296 G CA -0.664 44.452 45.100 0.026 0.000 0.790 296 G HN -0.109 nan 8.290 nan 0.000 0.503 297 D N 1.295 121.702 120.400 0.011 0.000 2.472 297 D HA 0.397 5.037 4.640 -0.001 0.000 0.237 297 D C 0.445 176.697 176.300 -0.080 0.000 1.141 297 D CA 0.891 54.836 54.000 -0.092 0.000 0.875 297 D CB 0.309 41.022 40.800 -0.144 0.000 1.192 297 D HN 0.553 nan 8.370 nan 0.000 0.450 298 H N -0.705 118.229 119.070 -0.228 0.000 2.948 298 H HA 0.436 4.991 4.556 -0.001 0.000 0.315 298 H C -1.425 173.769 175.328 -0.224 0.000 1.360 298 H CA -0.822 55.112 56.048 -0.189 0.000 1.125 298 H CB 0.333 30.104 29.762 0.015 0.000 1.844 298 H HN 0.295 nan 8.280 nan 0.000 0.529 299 Y N 0.085 120.628 120.300 0.406 0.000 2.545 299 Y HA 0.382 4.931 4.550 -0.001 0.000 0.348 299 Y C -0.322 175.888 175.900 0.518 0.000 1.002 299 Y CA -1.103 57.245 58.100 0.414 0.000 1.039 299 Y CB 2.083 40.634 38.460 0.152 0.000 1.271 299 Y HN 0.514 nan 8.280 nan 0.000 0.467 300 L N 3.198 124.792 121.223 0.619 0.000 2.281 300 L HA 0.373 4.713 4.340 -0.001 0.000 0.285 300 L C 0.460 177.386 176.870 0.092 0.000 1.074 300 L CA -0.101 54.738 54.840 -0.001 0.000 0.817 300 L CB 0.369 42.289 42.059 -0.231 0.000 1.168 300 L HN 0.991 nan 8.230 nan 0.000 0.434 301 C N 1.280 120.478 119.300 -0.170 0.000 3.392 301 C HA 0.505 4.965 4.460 -0.001 0.000 0.301 301 C C 0.200 174.969 174.990 -0.368 0.000 1.354 301 C CA -0.451 58.386 59.018 -0.302 0.000 1.732 301 C CB -0.694 26.942 27.740 -0.174 0.000 2.269 301 C HN 0.848 nan 8.230 nan 0.000 0.673 302 D N 0.189 120.421 120.400 -0.280 0.000 2.803 302 D HA 0.444 5.084 4.640 -0.001 0.000 0.218 302 D C -1.864 174.182 176.300 -0.423 0.000 1.245 302 D CA 0.111 53.987 54.000 -0.206 0.000 0.821 302 D CB 2.884 43.559 40.800 -0.209 0.000 1.626 302 D HN 0.046 nan 8.370 nan 0.000 0.487 303 V N 2.309 121.928 119.914 -0.492 0.000 2.525 303 V HA 0.571 4.690 4.120 -0.001 0.000 0.299 303 V C -0.469 175.272 176.094 -0.588 0.000 1.034 303 V CA -0.361 61.402 62.300 -0.895 0.000 0.863 303 V CB 1.969 32.695 31.823 -1.828 0.000 0.999 303 V HN 0.639 nan 8.190 nan 0.000 0.423 304 T N 3.473 117.745 114.554 -0.469 0.000 3.143 304 T HA 0.323 4.673 4.350 -0.001 0.000 0.312 304 T C -0.921 173.642 174.700 -0.228 0.000 0.986 304 T CA -0.480 61.502 62.100 -0.196 0.000 1.024 304 T CB 0.767 69.593 68.868 -0.070 0.000 1.030 304 T HN 0.525 nan 8.240 nan 0.000 0.448 305 W N 2.155 123.397 121.300 -0.097 0.000 2.216 305 W HA 0.470 5.130 4.660 -0.001 0.000 0.326 305 W C 1.161 177.558 176.519 -0.203 0.000 1.319 305 W CA -0.269 57.011 57.345 -0.108 0.000 1.213 305 W CB 0.602 30.084 29.460 0.035 0.000 1.171 305 W HN 0.855 nan 8.180 nan 0.000 0.557 306 A N 2.047 124.761 122.820 -0.177 0.000 1.920 306 A HA 0.192 4.512 4.320 -0.001 0.000 0.209 306 A C 0.937 178.489 177.584 -0.053 0.000 1.229 306 A CA 1.558 53.271 52.037 -0.540 0.000 0.671 306 A CB -0.361 17.859 19.000 -1.299 0.000 0.886 306 A HN 0.541 nan 8.150 nan 0.000 0.461 307 T N -5.615 109.008 114.554 0.114 0.000 2.590 307 T HA 0.329 4.679 4.350 -0.001 0.000 0.282 307 T C 0.213 175.079 174.700 0.278 0.000 0.989 307 T CA -0.337 61.868 62.100 0.175 0.000 1.091 307 T CB 0.489 69.441 68.868 0.140 0.000 1.460 307 T HN -0.065 nan 8.240 nan 0.000 0.499 308 Q N 0.388 120.317 119.800 0.216 0.000 2.291 308 Q HA 0.102 4.442 4.340 -0.001 0.000 0.205 308 Q C 0.727 176.987 176.000 0.433 0.000 0.970 308 Q CA 1.380 57.312 55.803 0.216 0.000 0.876 308 Q CB -0.097 28.731 28.738 0.149 0.000 0.935 308 Q HN 0.816 nan 8.270 nan 0.000 0.455 309 E N -0.357 120.115 120.200 0.453 0.000 2.921 309 E HA 0.190 4.539 4.350 -0.001 0.000 0.203 309 E C -0.362 176.509 176.600 0.452 0.000 0.975 309 E CA -0.142 56.536 56.400 0.462 0.000 1.225 309 E CB 1.070 30.928 29.700 0.264 0.000 1.048 309 E HN -0.062 nan 8.360 nan 0.000 0.477 310 R N 1.640 122.427 120.500 0.479 0.000 2.514 310 R HA 0.503 4.843 4.340 -0.001 0.000 0.296 310 R C -1.680 174.617 176.300 -0.004 0.000 1.012 310 R CA -0.448 55.788 56.100 0.227 0.000 0.897 310 R CB 1.126 31.448 30.300 0.037 0.000 1.184 310 R HN 0.075 nan 8.270 nan 0.000 0.440 311 I N 3.370 123.760 120.570 -0.300 0.000 2.474 311 I HA 0.392 4.561 4.170 -0.001 0.000 0.294 311 I C -0.683 175.093 176.117 -0.568 0.000 1.005 311 I CA -0.489 60.343 61.300 -0.780 0.000 1.113 311 I CB 2.053 39.115 38.000 -1.563 0.000 1.289 311 I HN 0.817 nan 8.210 nan 0.000 0.436 312 S N 7.676 123.040 115.700 -0.560 0.000 2.475 312 S HA 0.702 5.172 4.470 -0.001 0.000 0.298 312 S C -1.062 173.216 174.600 -0.537 0.000 1.119 312 S CA -0.679 57.272 58.200 -0.415 0.000 1.085 312 S CB 1.578 64.654 63.200 -0.207 0.000 1.028 312 S HN 0.441 nan 8.310 nan 0.000 0.489 313 L N 2.716 123.636 121.223 -0.504 0.000 2.362 313 L HA 0.532 4.871 4.340 -0.001 0.000 0.275 313 L C -0.230 176.331 176.870 -0.515 0.000 0.998 313 L CA -0.127 54.301 54.840 -0.686 0.000 0.820 313 L CB 1.841 43.440 42.059 -0.768 0.000 1.270 313 L HN 0.841 nan 8.230 nan 0.000 0.415 314 Q N 2.343 121.793 119.800 -0.584 0.000 2.312 314 Q HA 0.494 4.834 4.340 -0.001 0.000 0.263 314 Q C -1.623 174.105 176.000 -0.454 0.000 0.995 314 Q CA -0.417 55.166 55.803 -0.368 0.000 0.853 314 Q CB 2.093 30.681 28.738 -0.250 0.000 1.300 314 Q HN 0.488 nan 8.270 nan 0.000 0.448 315 W N 2.470 123.720 121.300 -0.083 0.000 2.736 315 W HA 0.575 5.235 4.660 -0.001 0.000 0.335 315 W C -0.851 175.699 176.519 0.053 0.000 1.059 315 W CA -0.484 56.864 57.345 0.005 0.000 1.226 315 W CB 1.245 30.684 29.460 -0.035 0.000 1.416 315 W HN 0.300 nan 8.180 nan 0.000 0.505 316 L N 3.498 124.950 121.223 0.382 0.000 2.341 316 L HA 0.535 4.874 4.340 -0.001 0.000 0.278 316 L C 0.449 177.531 176.870 0.355 0.000 1.005 316 L CA -1.160 53.871 54.840 0.318 0.000 0.818 316 L CB 1.395 43.631 42.059 0.295 0.000 1.259 316 L HN 0.453 nan 8.230 nan 0.000 0.418 317 R N 1.699 122.366 120.500 0.280 0.000 2.734 317 R HA 0.031 4.370 4.340 -0.001 0.000 0.266 317 R C 1.089 177.482 176.300 0.155 0.000 1.044 317 R CA 0.017 56.234 56.100 0.195 0.000 1.128 317 R CB 0.676 31.075 30.300 0.164 0.000 1.010 317 R HN 0.548 nan 8.270 nan 0.000 0.461 318 R N 1.926 122.428 120.500 0.004 0.000 2.105 318 R HA -0.111 4.228 4.340 -0.001 0.000 0.239 318 R C 0.241 176.611 176.300 0.115 0.000 1.135 318 R CA 1.372 57.464 56.100 -0.012 0.000 0.967 318 R CB -0.099 30.131 30.300 -0.117 0.000 0.861 318 R HN 0.506 nan 8.270 nan 0.000 0.442 319 I N 2.368 122.985 120.570 0.077 0.000 2.329 319 I HA 0.000 4.170 4.170 -0.001 0.000 0.295 319 I C 0.328 176.511 176.117 0.109 0.000 1.109 319 I CA 0.310 61.655 61.300 0.075 0.000 1.297 319 I CB 1.353 39.381 38.000 0.046 0.000 1.433 319 I HN 0.219 nan 8.210 nan 0.000 0.509 320 Q N 4.930 124.792 119.800 0.103 0.000 2.292 320 Q HA 0.014 4.353 4.340 -0.001 0.000 0.247 320 Q C 0.466 176.543 176.000 0.128 0.000 0.911 320 Q CA -0.063 55.814 55.803 0.123 0.000 0.948 320 Q CB -0.336 28.436 28.738 0.058 0.000 1.093 320 Q HN 0.678 nan 8.270 nan 0.000 0.428 321 N N -0.725 118.052 118.700 0.129 0.000 2.214 321 N HA -0.033 4.706 4.740 -0.001 0.000 0.214 321 N C -1.002 174.610 175.510 0.171 0.000 1.132 321 N CA -0.162 52.953 53.050 0.108 0.000 0.856 321 N CB 0.279 38.806 38.487 0.067 0.000 1.020 321 N HN 0.183 nan 8.380 nan 0.000 0.509 322 Y N 0.955 121.279 120.300 0.040 0.000 2.330 322 Y HA 0.507 5.056 4.550 -0.001 0.000 0.324 322 Y C -1.151 174.784 175.900 0.058 0.000 1.093 322 Y CA -0.858 57.265 58.100 0.037 0.000 1.103 322 Y CB 1.379 39.854 38.460 0.025 0.000 1.183 322 Y HN 0.165 nan 8.280 nan 0.000 0.433 323 S N 3.943 119.496 115.700 -0.245 0.000 2.595 323 S HA 0.931 5.401 4.470 -0.001 0.000 0.281 323 S C -1.972 172.492 174.600 -0.226 0.000 1.117 323 S CA -0.766 57.372 58.200 -0.104 0.000 0.873 323 S CB 2.028 65.218 63.200 -0.018 0.000 1.108 323 S HN 0.440 nan 8.310 nan 0.000 0.477 324 V N 2.429 122.318 119.914 -0.043 0.000 2.638 324 V HA 0.518 4.638 4.120 -0.001 0.000 0.306 324 V C -0.544 175.568 176.094 0.029 0.000 1.052 324 V CA -0.647 61.636 62.300 -0.028 0.000 0.885 324 V CB 1.882 33.724 31.823 0.032 0.000 0.999 324 V HN 1.032 nan 8.190 nan 0.000 0.424 325 M N 3.566 123.154 119.600 -0.019 0.000 2.157 325 M HA 0.485 4.964 4.480 -0.001 0.000 0.354 325 M C -1.066 175.234 176.300 0.000 0.000 1.170 325 M CA -0.303 54.959 55.300 -0.063 0.000 1.060 325 M CB 0.984 33.472 32.600 -0.187 0.000 1.615 325 M HN 0.607 nan 8.290 nan 0.000 0.460 326 D N 5.112 125.508 120.400 -0.007 0.000 2.177 326 D HA 0.452 5.092 4.640 -0.001 0.000 0.247 326 D C -0.942 175.314 176.300 -0.073 0.000 1.063 326 D CA 0.010 54.007 54.000 -0.005 0.000 0.867 326 D CB 1.316 42.142 40.800 0.043 0.000 1.168 326 D HN 0.560 nan 8.370 nan 0.000 0.445 327 I N 2.827 123.384 120.570 -0.022 0.000 2.359 327 I HA 0.239 4.408 4.170 -0.001 0.000 0.284 327 I C -0.539 175.569 176.117 -0.015 0.000 1.018 327 I CA -0.455 60.823 61.300 -0.036 0.000 1.173 327 I CB 0.957 38.984 38.000 0.047 0.000 1.326 327 I HN 0.157 nan 8.210 nan 0.000 0.462 328 c N 4.018 122.595 118.600 -0.039 0.000 2.322 328 c HA 0.529 5.099 4.570 -0.001 0.000 0.324 328 c C -0.202 174.025 174.090 0.229 0.000 1.284 328 c CA -0.707 55.668 56.329 0.077 0.000 1.606 328 c CB 0.531 43.071 42.510 0.049 0.000 2.251 328 c HN 0.580 nan 8.230 nan 0.000 0.502 329 D N 0.610 121.126 120.400 0.193 0.000 2.185 329 D HA 0.298 4.938 4.640 -0.001 0.000 0.247 329 D C -0.572 175.623 176.300 -0.175 0.000 1.027 329 D CA -0.231 53.827 54.000 0.097 0.000 0.861 329 D CB 0.821 41.630 40.800 0.016 0.000 1.202 329 D HN 0.567 nan 8.370 nan 0.000 0.453 330 Y N 1.521 121.358 120.300 -0.772 0.000 2.442 330 Y HA 0.213 4.762 4.550 -0.001 0.000 0.330 330 Y C -0.201 175.384 175.900 -0.526 0.000 1.129 330 Y CA 0.004 57.362 58.100 -1.237 0.000 1.365 330 Y CB 0.657 38.278 38.460 -1.398 0.000 1.233 330 Y HN 0.170 nan 8.280 nan 0.000 0.529 331 D N 5.080 124.830 120.400 -1.083 0.000 2.303 331 D HA 0.156 4.795 4.640 -0.001 0.000 0.236 331 D C 0.457 176.212 176.300 -0.908 0.000 1.068 331 D CA -0.182 53.390 54.000 -0.713 0.000 0.830 331 D CB 1.137 41.682 40.800 -0.425 0.000 1.109 331 D HN 0.799 nan 8.370 nan 0.000 0.496 332 E N 1.263 121.169 120.200 -0.491 0.000 2.072 332 E HA -0.142 4.208 4.350 -0.001 0.000 0.191 332 E C 1.630 178.132 176.600 -0.163 0.000 0.985 332 E CA 1.143 57.397 56.400 -0.243 0.000 0.801 332 E CB 0.225 29.909 29.700 -0.026 0.000 0.750 332 E HN 0.581 nan 8.360 nan 0.000 0.452 333 S N -0.071 115.541 115.700 -0.146 0.000 2.453 333 S HA -0.015 4.454 4.470 -0.001 0.000 0.231 333 S C 2.091 176.629 174.600 -0.104 0.000 1.005 333 S CA 0.846 58.991 58.200 -0.092 0.000 0.949 333 S CB 0.203 63.360 63.200 -0.071 0.000 0.774 333 S HN -0.037 nan 8.310 nan 0.000 0.510 334 S N 0.913 116.508 115.700 -0.174 0.000 2.356 334 S HA 0.401 4.870 4.470 -0.001 0.000 0.219 334 S C 1.696 176.218 174.600 -0.130 0.000 1.036 334 S CA 0.740 58.849 58.200 -0.152 0.000 0.965 334 S CB -0.708 62.375 63.200 -0.195 0.000 0.864 334 S HN 1.086 nan 8.310 nan 0.000 0.471 335 G N 1.474 110.122 108.800 -0.252 0.000 2.143 335 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.249 335 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.249 335 G C 0.086 174.960 174.900 -0.045 0.000 0.981 335 G CA 0.100 45.151 45.100 -0.081 0.000 0.665 335 G HN 0.412 nan 8.290 nan 0.000 0.528 336 R N -1.737 118.609 120.500 -0.257 0.000 2.902 336 R HA 0.647 4.986 4.340 -0.001 0.000 0.258 336 R C -0.992 175.135 176.300 -0.288 0.000 1.071 336 R CA -0.888 55.157 56.100 -0.091 0.000 1.024 336 R CB 0.994 31.277 30.300 -0.029 0.000 1.184 336 R HN 0.130 nan 8.270 nan 0.000 0.492 337 W N 0.679 121.970 121.300 -0.016 0.000 2.417 337 W HA 0.386 5.045 4.660 -0.001 0.000 0.315 337 W C -0.475 176.015 176.519 -0.049 0.000 1.045 337 W CA -0.348 56.984 57.345 -0.023 0.000 1.221 337 W CB 1.101 30.554 29.460 -0.011 0.000 1.309 337 W HN 0.380 nan 8.180 nan 0.000 0.453 338 N N 2.481 121.240 118.700 0.098 0.000 2.417 338 N HA 0.465 5.205 4.740 -0.001 0.000 0.274 338 N C -1.402 174.140 175.510 0.053 0.000 0.987 338 N CA -0.642 52.433 53.050 0.042 0.000 0.912 338 N CB 1.021 39.494 38.487 -0.023 0.000 1.177 338 N HN 0.204 nan 8.380 nan 0.000 0.490 339 c N 3.394 122.013 118.600 0.032 0.000 2.242 339 c HA 0.334 4.903 4.570 -0.001 0.000 0.317 339 c C 0.128 174.217 174.090 -0.002 0.000 1.087 339 c CA -1.027 55.312 56.329 0.016 0.000 1.535 339 c CB -1.563 40.947 42.510 -0.000 0.000 1.893 339 c HN 0.617 nan 8.230 nan 0.000 0.426 340 L N 2.647 123.872 121.223 0.004 0.000 2.559 340 L HA -0.010 4.329 4.340 -0.001 0.000 0.274 340 L C 1.568 178.432 176.870 -0.011 0.000 1.205 340 L CA 0.760 55.598 54.840 -0.004 0.000 0.907 340 L CB 0.404 42.466 42.059 0.005 0.000 1.153 340 L HN 0.601 nan 8.230 nan 0.000 0.490 341 V N 3.732 123.631 119.914 -0.025 0.000 2.594 341 V HA -0.288 3.831 4.120 -0.001 0.000 0.253 341 V C 2.092 178.163 176.094 -0.039 0.000 1.069 341 V CA 1.891 64.170 62.300 -0.034 0.000 1.082 341 V CB -0.795 31.005 31.823 -0.039 0.000 0.680 341 V HN 1.007 nan 8.190 nan 0.000 0.469 342 A N -0.749 122.051 122.820 -0.034 0.000 2.235 342 A HA -0.029 4.290 4.320 -0.001 0.000 0.208 342 A C 2.145 179.697 177.584 -0.054 0.000 1.172 342 A CA 0.666 52.676 52.037 -0.045 0.000 0.786 342 A CB -0.295 18.687 19.000 -0.030 0.000 0.804 342 A HN 0.481 nan 8.150 nan 0.000 0.479 343 R N -0.466 120.020 120.500 -0.023 0.000 2.397 343 R HA 0.125 4.464 4.340 -0.001 0.000 0.241 343 R C -0.241 176.085 176.300 0.043 0.000 0.914 343 R CA -0.082 56.037 56.100 0.031 0.000 1.071 343 R CB 0.264 30.619 30.300 0.093 0.000 1.116 343 R HN 0.606 nan 8.270 nan 0.000 0.524 344 Q N 0.837 120.616 119.800 -0.036 0.000 2.297 344 Q HA 0.049 4.389 4.340 -0.001 0.000 0.267 344 Q C -0.914 175.009 176.000 -0.128 0.000 1.006 344 Q CA 0.466 56.260 55.803 -0.015 0.000 0.896 344 Q CB 0.683 29.404 28.738 -0.028 0.000 1.186 344 Q HN 0.139 nan 8.270 nan 0.000 0.392 345 H N 1.841 120.894 119.070 -0.029 0.000 2.541 345 H HA 0.340 4.896 4.556 -0.001 0.000 0.316 345 H C -0.599 174.678 175.328 -0.084 0.000 1.043 345 H CA -0.413 55.617 56.048 -0.030 0.000 1.232 345 H CB 0.637 30.371 29.762 -0.047 0.000 1.406 345 H HN 0.468 nan 8.280 nan 0.000 0.469 346 I N 2.420 122.976 120.570 -0.024 0.000 2.395 346 I HA 0.120 4.289 4.170 -0.001 0.000 0.289 346 I C 0.345 176.391 176.117 -0.120 0.000 1.023 346 I CA 0.095 61.298 61.300 -0.161 0.000 1.350 346 I CB 0.773 38.649 38.000 -0.207 0.000 1.409 346 I HN 0.573 nan 8.210 nan 0.000 0.507 347 E N 8.426 128.510 120.200 -0.194 0.000 2.185 347 E HA 0.563 4.912 4.350 -0.001 0.000 0.261 347 E C -1.149 175.349 176.600 -0.171 0.000 0.879 347 E CA -0.720 55.612 56.400 -0.113 0.000 0.756 347 E CB 1.249 30.917 29.700 -0.055 0.000 1.152 347 E HN 0.605 nan 8.360 nan 0.000 0.416 348 M N 1.254 120.791 119.600 -0.105 0.000 2.719 348 M HA 0.654 5.133 4.480 -0.001 0.000 0.291 348 M C -0.990 175.304 176.300 -0.010 0.000 1.264 348 M CA -0.951 54.315 55.300 -0.057 0.000 0.811 348 M CB 2.337 34.933 32.600 -0.007 0.000 1.756 348 M HN 0.206 nan 8.290 nan 0.000 0.464 349 S N -0.683 115.020 115.700 0.004 0.000 2.575 349 S HA 0.516 4.985 4.470 -0.001 0.000 0.278 349 S C 0.190 174.778 174.600 -0.020 0.000 1.139 349 S CA -0.023 58.162 58.200 -0.026 0.000 0.954 349 S CB 1.730 64.877 63.200 -0.089 0.000 1.054 349 S HN 0.936 nan 8.310 nan 0.000 0.483 350 T N -0.046 114.496 114.554 -0.020 0.000 3.057 350 T HA 0.056 4.405 4.350 -0.001 0.000 0.254 350 T C 1.438 176.115 174.700 -0.038 0.000 1.094 350 T CA 1.009 63.100 62.100 -0.016 0.000 1.088 350 T CB -0.358 68.508 68.868 -0.005 0.000 0.934 350 T HN 0.682 nan 8.240 nan 0.000 0.497 351 T N -2.309 112.208 114.554 -0.061 0.000 3.001 351 T HA 0.622 4.971 4.350 -0.001 0.000 0.251 351 T C 1.027 175.554 174.700 -0.289 0.000 1.040 351 T CA 0.265 62.323 62.100 -0.070 0.000 0.985 351 T CB 0.532 69.421 68.868 0.036 0.000 1.011 351 T HN 0.606 nan 8.240 nan 0.000 0.509 352 G N 0.431 108.920 108.800 -0.518 0.000 2.635 352 G HA2 0.490 4.450 3.960 -0.001 0.000 0.194 352 G HA3 0.490 4.450 3.960 -0.001 0.000 0.194 352 G C -1.635 173.015 174.900 -0.417 0.000 1.198 352 G CA -0.624 43.955 45.100 -0.867 0.000 0.972 352 G HN 0.474 nan 8.290 nan 0.000 0.520 353 W N -0.185 120.855 121.300 -0.434 0.000 2.353 353 W HA 0.760 5.419 4.660 -0.001 0.000 0.377 353 W C -0.412 176.045 176.519 -0.103 0.000 1.375 353 W CA -1.272 55.942 57.345 -0.218 0.000 1.503 353 W CB 0.634 29.938 29.460 -0.260 0.000 1.345 353 W HN 0.272 nan 8.180 nan 0.000 0.683 354 V N 2.759 122.731 119.914 0.097 0.000 2.439 354 V HA 0.726 4.846 4.120 -0.001 0.000 0.282 354 V C 0.775 176.928 176.094 0.098 0.000 1.039 354 V CA 0.286 62.600 62.300 0.025 0.000 0.913 354 V CB 0.070 31.908 31.823 0.025 0.000 0.983 354 V HN 1.311 nan 8.190 nan 0.000 0.460 355 G N 4.963 113.777 108.800 0.023 0.000 2.796 355 G HA2 -0.192 3.767 3.960 -0.001 0.000 0.571 355 G HA3 -0.192 3.767 3.960 -0.001 0.000 0.571 355 G C 0.353 175.318 174.900 0.108 0.000 1.370 355 G CA 0.279 45.420 45.100 0.069 0.000 0.856 355 G HN 0.653 nan 8.290 nan 0.000 0.538 356 R N -0.923 119.647 120.500 0.117 0.000 2.061 356 R HA 0.121 4.461 4.340 -0.001 0.000 0.230 356 R C 2.105 178.401 176.300 -0.006 0.000 1.140 356 R CA 2.206 58.337 56.100 0.052 0.000 0.940 356 R CB -0.144 30.199 30.300 0.072 0.000 0.839 356 R HN 0.465 nan 8.270 nan 0.000 0.429 357 F N -0.652 119.441 119.950 0.239 0.000 2.746 357 F HA 0.265 4.791 4.527 -0.001 0.000 0.313 357 F C 0.268 176.097 175.800 0.048 0.000 1.095 357 F CA -0.487 57.599 58.000 0.144 0.000 1.224 357 F CB 0.746 39.827 39.000 0.134 0.000 1.060 357 F HN -0.064 nan 8.300 nan 0.000 0.584 358 R N -1.333 119.297 120.500 0.218 0.000 2.753 358 R HA 0.387 4.726 4.340 -0.001 0.000 0.272 358 R C -3.391 172.957 176.300 0.081 0.000 1.034 358 R CA -1.907 54.243 56.100 0.084 0.000 0.869 358 R CB 0.097 30.387 30.300 -0.017 0.000 1.264 358 R HN -0.370 nan 8.270 nan 0.000 0.481 359 P HA -0.027 nan 4.420 nan 0.000 0.262 359 P C -0.251 177.058 177.300 0.014 0.000 1.182 359 P CA 0.205 63.313 63.100 0.013 0.000 0.761 359 P CB 0.892 32.575 31.700 -0.030 0.000 0.795 360 S N 2.125 117.850 115.700 0.042 0.000 2.576 360 S HA 0.042 4.511 4.470 -0.001 0.000 0.272 360 S C 0.317 174.934 174.600 0.028 0.000 1.352 360 S CA -0.544 57.699 58.200 0.071 0.000 1.021 360 S CB 0.035 63.300 63.200 0.108 0.000 0.887 360 S HN 0.465 nan 8.310 nan 0.000 0.542 361 E N 4.004 124.241 120.200 0.062 0.000 2.313 361 E HA 0.336 4.685 4.350 -0.001 0.000 0.276 361 E C -2.730 173.866 176.600 -0.006 0.000 1.031 361 E CA -2.198 54.195 56.400 -0.012 0.000 0.857 361 E CB 0.440 30.135 29.700 -0.009 0.000 1.040 361 E HN 0.284 nan 8.360 nan 0.000 0.408 362 P HA 0.196 nan 4.420 nan 0.000 0.277 362 P C -0.690 176.497 177.300 -0.188 0.000 1.240 362 P CA -0.205 62.772 63.100 -0.205 0.000 0.798 362 P CB 0.650 31.869 31.700 -0.802 0.000 0.979 363 H N 2.005 121.092 119.070 0.028 0.000 2.792 363 H HA 0.288 4.843 4.556 -0.001 0.000 0.298 363 H C -0.265 175.195 175.328 0.219 0.000 1.042 363 H CA -0.351 55.805 56.048 0.180 0.000 1.300 363 H CB 0.244 30.138 29.762 0.219 0.000 1.431 363 H HN 0.312 nan 8.280 nan 0.000 0.496 364 F N 1.835 121.961 119.950 0.292 0.000 2.389 364 F HA 0.047 4.573 4.527 -0.001 0.000 0.337 364 F C 1.685 177.669 175.800 0.306 0.000 1.112 364 F CA -0.359 57.816 58.000 0.291 0.000 1.192 364 F CB 0.991 40.094 39.000 0.171 0.000 1.185 364 F HN 0.383 nan 8.300 nan 0.000 0.552 365 T N 0.488 115.329 114.554 0.479 0.000 2.766 365 T HA 0.084 4.433 4.350 -0.001 0.000 0.295 365 T C 1.099 175.986 174.700 0.312 0.000 1.024 365 T CA -0.737 61.588 62.100 0.374 0.000 1.018 365 T CB 0.654 69.720 68.868 0.330 0.000 1.002 365 T HN 0.598 nan 8.240 nan 0.000 0.532 366 L N 1.264 122.626 121.223 0.232 0.000 2.013 366 L HA -0.088 4.252 4.340 -0.001 0.000 0.212 366 L C 2.199 179.170 176.870 0.168 0.000 1.073 366 L CA 2.609 57.558 54.840 0.182 0.000 0.753 366 L CB -1.187 40.955 42.059 0.139 0.000 0.890 366 L HN 0.940 nan 8.230 nan 0.000 0.432 367 D N -0.974 119.525 120.400 0.165 0.000 2.310 367 D HA 0.009 4.648 4.640 -0.001 0.000 0.212 367 D C 1.679 178.075 176.300 0.159 0.000 0.965 367 D CA 0.905 54.992 54.000 0.144 0.000 0.879 367 D CB -0.688 40.188 40.800 0.126 0.000 0.921 367 D HN 0.507 nan 8.370 nan 0.000 0.510 368 G N 0.346 109.280 108.800 0.223 0.000 2.143 368 G HA2 -0.322 3.637 3.960 -0.001 0.000 0.248 368 G HA3 -0.322 3.637 3.960 -0.001 0.000 0.248 368 G C 0.827 175.909 174.900 0.304 0.000 0.991 368 G CA 0.342 45.595 45.100 0.255 0.000 0.689 368 G HN 0.359 nan 8.290 nan 0.000 0.522 369 N N -0.076 118.781 118.700 0.262 0.000 2.373 369 N HA 0.195 4.935 4.740 -0.001 0.000 0.181 369 N C 0.547 176.170 175.510 0.188 0.000 1.082 369 N CA 1.014 54.188 53.050 0.207 0.000 0.885 369 N CB 0.442 39.012 38.487 0.138 0.000 0.977 369 N HN 0.446 nan 8.380 nan 0.000 0.462 370 S N -0.336 115.501 115.700 0.228 0.000 2.588 370 S HA 0.703 5.172 4.470 -0.001 0.000 0.275 370 S C -1.082 173.576 174.600 0.098 0.000 1.130 370 S CA -0.817 57.389 58.200 0.009 0.000 0.855 370 S CB 1.833 65.007 63.200 -0.043 0.000 1.116 370 S HN 0.212 nan 8.310 nan 0.000 0.472 371 F N -0.903 118.831 119.950 -0.360 0.000 2.645 371 F HA 0.792 5.319 4.527 -0.001 0.000 0.310 371 F C -2.106 173.481 175.800 -0.354 0.000 1.102 371 F CA -1.354 56.376 58.000 -0.448 0.000 0.952 371 F CB 0.778 39.096 39.000 -1.137 0.000 1.326 371 F HN 0.487 nan 8.300 nan 0.000 0.456 372 Y N 1.309 121.719 120.300 0.184 0.000 2.364 372 Y HA 0.642 5.192 4.550 -0.001 0.000 0.340 372 Y C -0.507 175.531 175.900 0.230 0.000 0.975 372 Y CA -0.829 57.374 58.100 0.172 0.000 1.089 372 Y CB 2.055 40.587 38.460 0.119 0.000 1.192 372 Y HN 0.695 nan 8.280 nan 0.000 0.454 373 K N 1.331 121.940 120.400 0.347 0.000 2.508 373 K HA 0.671 4.990 4.320 -0.001 0.000 0.260 373 K C -1.583 175.142 176.600 0.209 0.000 0.949 373 K CA -0.792 55.657 56.287 0.271 0.000 0.834 373 K CB 1.803 34.413 32.500 0.185 0.000 1.365 373 K HN 0.553 nan 8.250 nan 0.000 0.437 374 I N 3.362 124.031 120.570 0.165 0.000 2.517 374 I HA 0.212 4.381 4.170 -0.001 0.000 0.285 374 I C 0.044 176.244 176.117 0.138 0.000 1.106 374 I CA -0.167 61.213 61.300 0.133 0.000 1.402 374 I CB -0.115 37.949 38.000 0.107 0.000 1.399 374 I HN 0.608 nan 8.210 nan 0.000 0.535 375 I N 2.331 123.010 120.570 0.181 0.000 2.994 375 I HA 0.533 4.702 4.170 -0.001 0.000 0.306 375 I C -0.148 176.093 176.117 0.206 0.000 1.195 375 I CA -0.875 60.532 61.300 0.178 0.000 1.001 375 I CB 2.208 40.332 38.000 0.207 0.000 1.244 375 I HN 0.458 nan 8.210 nan 0.000 0.437 376 S N 2.153 117.907 115.700 0.091 0.000 2.523 376 S HA 0.335 4.804 4.470 -0.001 0.000 0.275 376 S C -0.041 174.580 174.600 0.034 0.000 1.281 376 S CA -0.752 57.444 58.200 -0.007 0.000 1.050 376 S CB 0.443 63.557 63.200 -0.145 0.000 0.937 376 S HN 0.815 nan 8.310 nan 0.000 0.492 377 N N 1.650 120.234 118.700 -0.193 0.000 2.332 377 N HA 0.022 4.762 4.740 -0.001 0.000 0.282 377 N C 1.146 176.509 175.510 -0.245 0.000 1.288 377 N CA -0.244 52.491 53.050 -0.525 0.000 0.949 377 N CB 0.005 37.836 38.487 -1.094 0.000 1.108 377 N HN 0.730 nan 8.380 nan 0.000 0.542 378 E N -0.420 119.630 120.200 -0.249 0.000 2.268 378 E HA -0.225 4.125 4.350 -0.001 0.000 0.195 378 E C 0.536 177.060 176.600 -0.127 0.000 0.995 378 E CA 1.262 57.581 56.400 -0.135 0.000 0.836 378 E CB -0.645 28.993 29.700 -0.103 0.000 0.763 378 E HN 0.873 nan 8.360 nan 0.000 0.491 379 E N 0.343 120.464 120.200 -0.132 0.000 2.502 379 E HA 0.219 4.568 4.350 -0.001 0.000 0.194 379 E C 1.055 177.547 176.600 -0.181 0.000 1.062 379 E CA 0.390 56.749 56.400 -0.068 0.000 0.867 379 E CB -0.048 29.694 29.700 0.070 0.000 0.888 379 E HN 0.372 nan 8.360 nan 0.000 0.510 380 G N 0.610 109.267 108.800 -0.238 0.000 2.143 380 G HA2 -0.305 3.655 3.960 -0.001 0.000 0.249 380 G HA3 -0.305 3.655 3.960 -0.001 0.000 0.249 380 G C -0.400 174.189 174.900 -0.518 0.000 0.981 380 G CA -0.036 44.835 45.100 -0.381 0.000 0.665 380 G HN 0.310 nan 8.290 nan 0.000 0.528 381 Y N 0.343 120.496 120.300 -0.244 0.000 2.323 381 Y HA 0.606 5.155 4.550 -0.001 0.000 0.331 381 Y C 1.264 176.980 175.900 -0.307 0.000 1.092 381 Y CA -0.831 57.102 58.100 -0.279 0.000 1.150 381 Y CB 0.927 39.230 38.460 -0.262 0.000 1.200 381 Y HN 0.067 nan 8.280 nan 0.000 0.472 382 R N 3.819 124.181 120.500 -0.230 0.000 2.296 382 R HA 0.260 4.599 4.340 -0.001 0.000 0.323 382 R C -0.804 175.233 176.300 -0.437 0.000 1.067 382 R CA -0.027 55.946 56.100 -0.212 0.000 0.946 382 R CB 0.099 30.320 30.300 -0.131 0.000 0.991 382 R HN 0.661 nan 8.270 nan 0.000 0.448 383 H N 1.656 120.708 119.070 -0.030 0.000 2.985 383 H HA 0.307 4.863 4.556 -0.001 0.000 0.360 383 H C -0.259 175.126 175.328 0.095 0.000 1.221 383 H CA -0.934 55.070 56.048 -0.074 0.000 1.121 383 H CB 1.564 31.195 29.762 -0.218 0.000 1.854 383 H HN 0.327 nan 8.280 nan 0.000 0.551 384 I N 1.365 122.007 120.570 0.121 0.000 2.452 384 I HA 0.025 4.195 4.170 -0.001 0.000 0.287 384 I C 0.443 176.568 176.117 0.013 0.000 1.079 384 I CA 0.237 61.565 61.300 0.046 0.000 1.387 384 I CB 0.221 38.166 38.000 -0.091 0.000 1.404 384 I HN 0.145 nan 8.210 nan 0.000 0.522 385 c N 7.031 125.567 118.600 -0.106 0.000 2.411 385 c HA 0.409 4.978 4.570 -0.001 0.000 0.330 385 c C -0.401 173.523 174.090 -0.276 0.000 1.224 385 c CA -0.629 55.402 56.329 -0.497 0.000 1.770 385 c CB 0.769 42.672 42.510 -1.011 0.000 2.297 385 c HN 0.711 nan 8.230 nan 0.000 0.507 386 Y N 4.470 124.411 120.300 -0.598 0.000 2.331 386 Y HA 0.646 5.195 4.550 -0.001 0.000 0.338 386 Y C -1.056 174.367 175.900 -0.795 0.000 0.976 386 Y CA -0.537 57.177 58.100 -0.643 0.000 1.137 386 Y CB 0.444 38.611 38.460 -0.488 0.000 1.172 386 Y HN 0.663 nan 8.280 nan 0.000 0.478 387 F N 4.408 123.559 119.950 -1.332 0.000 2.480 387 F HA 0.361 4.888 4.527 -0.001 0.000 0.329 387 F C -0.009 175.042 175.800 -1.247 0.000 1.091 387 F CA -0.865 56.371 58.000 -1.274 0.000 0.972 387 F CB 1.650 39.584 39.000 -1.778 0.000 1.150 387 F HN 0.392 nan 8.300 nan 0.000 0.467 388 Q N 2.892 122.347 119.800 -0.574 0.000 2.235 388 Q HA 0.249 4.588 4.340 -0.001 0.000 0.250 388 Q C 0.998 176.985 176.000 -0.022 0.000 0.909 388 Q CA -0.380 55.236 55.803 -0.310 0.000 0.910 388 Q CB 1.508 30.124 28.738 -0.205 0.000 1.223 388 Q HN 0.698 nan 8.270 nan 0.000 0.432 389 I N 2.447 123.074 120.570 0.095 0.000 2.248 389 I HA -0.266 3.903 4.170 -0.001 0.000 0.248 389 I C 1.098 177.403 176.117 0.313 0.000 1.107 389 I CA 1.599 63.074 61.300 0.292 0.000 1.373 389 I CB -0.358 37.804 38.000 0.269 0.000 1.055 389 I HN 0.625 nan 8.210 nan 0.000 0.418 390 D N 0.656 121.152 120.400 0.160 0.000 2.339 390 D HA 0.031 4.670 4.640 -0.001 0.000 0.217 390 D C 0.661 176.986 176.300 0.041 0.000 1.050 390 D CA 0.252 54.307 54.000 0.091 0.000 0.856 390 D CB 0.488 41.319 40.800 0.052 0.000 0.922 390 D HN 0.489 nan 8.370 nan 0.000 0.518 391 K N -0.771 119.669 120.400 0.067 0.000 2.385 391 K HA 0.431 4.750 4.320 -0.001 0.000 0.248 391 K C 0.563 177.173 176.600 0.017 0.000 0.955 391 K CA -0.878 55.411 56.287 0.003 0.000 0.816 391 K CB 2.585 35.066 32.500 -0.031 0.000 1.250 391 K HN -0.406 nan 8.250 nan 0.000 0.434 392 K N 0.898 121.264 120.400 -0.057 0.000 2.076 392 K HA 0.031 4.350 4.320 -0.001 0.000 0.204 392 K C -0.411 176.187 176.600 -0.004 0.000 1.051 392 K CA 1.184 57.439 56.287 -0.053 0.000 0.949 392 K CB -0.036 32.420 32.500 -0.073 0.000 0.726 392 K HN 0.760 nan 8.250 nan 0.000 0.443 393 D N 1.003 121.356 120.400 -0.080 0.000 2.390 393 D HA 0.036 4.676 4.640 -0.001 0.000 0.249 393 D C -0.009 176.088 176.300 -0.338 0.000 1.144 393 D CA 0.032 53.933 54.000 -0.165 0.000 0.880 393 D CB 0.725 41.446 40.800 -0.132 0.000 1.182 393 D HN 0.408 nan 8.370 nan 0.000 0.451 394 c N 0.505 118.752 118.600 -0.589 0.000 2.486 394 c HA 0.814 5.384 4.570 -0.001 0.000 0.348 394 c C 0.410 174.127 174.090 -0.622 0.000 1.203 394 c CA -0.831 54.940 56.329 -0.931 0.000 1.911 394 c CB 1.415 42.686 42.510 -2.064 0.000 2.340 394 c HN 0.554 nan 8.230 nan 0.000 0.511 395 T N 0.679 114.924 114.554 -0.515 0.000 2.794 395 T HA 0.581 4.930 4.350 -0.001 0.000 0.280 395 T C -0.922 173.559 174.700 -0.365 0.000 0.987 395 T CA -0.232 61.697 62.100 -0.285 0.000 0.993 395 T CB 0.045 68.880 68.868 -0.055 0.000 0.939 395 T HN 0.485 nan 8.240 nan 0.000 0.449 396 F N 5.279 125.098 119.950 -0.219 0.000 2.495 396 F HA 0.289 4.816 4.527 -0.001 0.000 0.365 396 F C 1.554 177.166 175.800 -0.314 0.000 1.090 396 F CA -0.567 57.289 58.000 -0.240 0.000 1.235 396 F CB 0.622 39.489 39.000 -0.221 0.000 1.119 396 F HN 0.619 nan 8.300 nan 0.000 0.562 397 I N -0.790 119.629 120.570 -0.251 0.000 3.854 397 I HA 0.190 4.360 4.170 -0.001 0.000 0.312 397 I C 0.466 176.389 176.117 -0.323 0.000 1.273 397 I CA 0.128 61.060 61.300 -0.613 0.000 1.298 397 I CB 0.158 37.543 38.000 -1.024 0.000 1.071 397 I HN 0.483 nan 8.210 nan 0.000 0.428 398 T N -0.499 113.924 114.554 -0.219 0.000 2.912 398 T HA 0.632 4.981 4.350 -0.001 0.000 0.288 398 T C -0.448 173.887 174.700 -0.608 0.000 1.030 398 T CA -0.697 61.257 62.100 -0.244 0.000 1.020 398 T CB 2.715 71.501 68.868 -0.137 0.000 1.056 398 T HN 0.043 nan 8.240 nan 0.000 0.480 399 K N -0.030 119.876 120.400 -0.823 0.000 2.556 399 K HA 0.772 5.092 4.320 -0.001 0.000 0.274 399 K C -0.271 175.720 176.600 -1.014 0.000 0.966 399 K CA -0.192 55.433 56.287 -1.103 0.000 0.865 399 K CB 2.014 34.214 32.500 -0.500 0.000 1.444 399 K HN 1.404 nan 8.250 nan 0.000 0.433 400 G N -0.325 107.901 108.800 -0.956 0.000 2.351 400 G HA2 -0.064 3.895 3.960 -0.001 0.000 0.353 400 G HA3 -0.064 3.895 3.960 -0.001 0.000 0.353 400 G C -0.797 173.581 174.900 -0.869 0.000 1.358 400 G CA -0.289 44.428 45.100 -0.638 0.000 0.995 400 G HN 0.478 nan 8.290 nan 0.000 0.611 401 T N -0.450 113.715 114.554 -0.648 0.000 3.855 401 T HA 0.573 4.923 4.350 -0.001 0.000 0.306 401 T C 0.165 174.555 174.700 -0.517 0.000 1.575 401 T CA 0.519 61.974 62.100 -1.076 0.000 1.214 401 T CB -0.936 67.586 68.868 -0.578 0.000 1.262 401 T HN 1.587 nan 8.240 nan 0.000 0.883 402 W N -0.414 120.609 121.300 -0.463 0.000 2.926 402 W HA 0.591 5.251 4.660 -0.001 0.000 0.361 402 W C -1.646 174.792 176.519 -0.135 0.000 1.195 402 W CA -0.926 56.331 57.345 -0.146 0.000 1.177 402 W CB 0.563 29.965 29.460 -0.095 0.000 1.453 402 W HN 0.183 nan 8.180 nan 0.000 0.571 403 E N 0.904 121.220 120.200 0.193 0.000 2.288 403 E HA 0.444 4.793 4.350 -0.001 0.000 0.268 403 E C -1.028 175.661 176.600 0.149 0.000 0.885 403 E CA -1.183 55.142 56.400 -0.125 0.000 0.767 403 E CB 3.439 33.143 29.700 0.006 0.000 1.220 403 E HN 0.171 nan 8.360 nan 0.000 0.427 404 V N 4.006 123.879 119.914 -0.069 0.000 2.508 404 V HA -0.012 4.107 4.120 -0.001 0.000 0.281 404 V C 1.172 177.364 176.094 0.163 0.000 1.041 404 V CA 0.129 62.517 62.300 0.146 0.000 1.016 404 V CB 0.508 32.322 31.823 -0.016 0.000 0.984 404 V HN 0.687 nan 8.190 nan 0.000 0.478 405 I N 3.184 123.888 120.570 0.225 0.000 2.494 405 I HA 0.275 4.445 4.170 -0.001 0.000 0.250 405 I C 1.108 177.351 176.117 0.210 0.000 1.112 405 I CA 1.078 62.506 61.300 0.213 0.000 1.438 405 I CB -0.675 37.396 38.000 0.119 0.000 1.111 405 I HN 0.735 nan 8.210 nan 0.000 0.431 406 G N 0.974 109.898 108.800 0.207 0.000 2.755 406 G HA2 0.546 4.505 3.960 -0.001 0.000 0.297 406 G HA3 0.546 4.505 3.960 -0.001 0.000 0.297 406 G C -1.135 173.867 174.900 0.170 0.000 1.441 406 G CA -0.519 44.695 45.100 0.190 0.000 0.964 406 G HN -0.038 nan 8.290 nan 0.000 0.540 407 I N 1.752 122.354 120.570 0.054 0.000 2.416 407 I HA 0.215 4.385 4.170 -0.001 0.000 0.288 407 I C 0.824 176.892 176.117 -0.081 0.000 1.051 407 I CA -0.380 60.848 61.300 -0.120 0.000 1.375 407 I CB 1.496 39.167 38.000 -0.549 0.000 1.407 407 I HN 0.498 nan 8.210 nan 0.000 0.516 408 E N 4.798 125.015 120.200 0.027 0.000 2.290 408 E HA 0.346 4.695 4.350 -0.001 0.000 0.199 408 E C 0.095 176.691 176.600 -0.007 0.000 0.912 408 E CA 0.258 56.731 56.400 0.122 0.000 0.924 408 E CB 0.723 30.584 29.700 0.267 0.000 0.901 408 E HN 0.667 nan 8.360 nan 0.000 0.487 409 A N 0.998 123.713 122.820 -0.176 0.000 2.589 409 A HA 0.629 4.948 4.320 -0.001 0.000 0.296 409 A C -1.520 176.009 177.584 -0.093 0.000 1.062 409 A CA -0.805 51.071 52.037 -0.269 0.000 0.686 409 A CB 1.026 19.460 19.000 -0.944 0.000 1.282 409 A HN 0.137 nan 8.150 nan 0.000 0.404 410 L N 0.791 122.011 121.223 -0.006 0.000 2.381 410 L HA 0.932 5.272 4.340 -0.001 0.000 0.274 410 L C -0.070 176.838 176.870 0.064 0.000 0.988 410 L CA -0.195 54.659 54.840 0.022 0.000 0.824 410 L CB 2.016 44.095 42.059 0.033 0.000 1.263 410 L HN 0.886 nan 8.230 nan 0.000 0.410 411 T N -0.566 114.036 114.554 0.080 0.000 2.922 411 T HA 0.357 4.706 4.350 -0.001 0.000 0.281 411 T C 1.232 175.976 174.700 0.072 0.000 1.005 411 T CA -0.059 62.100 62.100 0.098 0.000 0.982 411 T CB 1.345 70.312 68.868 0.165 0.000 1.158 411 T HN 0.797 nan 8.240 nan 0.000 0.566 412 S N -0.316 115.423 115.700 0.066 0.000 2.442 412 S HA -0.095 4.374 4.470 -0.001 0.000 0.236 412 S C 0.850 175.428 174.600 -0.037 0.000 1.007 412 S CA 1.148 59.370 58.200 0.037 0.000 0.965 412 S CB -0.510 62.713 63.200 0.040 0.000 0.773 412 S HN 0.741 nan 8.310 nan 0.000 0.504 413 D N -0.832 119.517 120.400 -0.085 0.000 2.455 413 D HA 0.283 4.922 4.640 -0.001 0.000 0.228 413 D C -0.533 175.388 176.300 -0.632 0.000 1.070 413 D CA 0.424 54.214 54.000 -0.349 0.000 0.881 413 D CB 0.306 40.871 40.800 -0.393 0.000 1.087 413 D HN 0.454 nan 8.370 nan 0.000 0.498 414 Y N 0.091 120.319 120.300 -0.120 0.000 2.545 414 Y HA 0.444 4.994 4.550 -0.001 0.000 0.348 414 Y C -0.485 175.225 175.900 -0.317 0.000 1.002 414 Y CA -1.209 56.726 58.100 -0.274 0.000 1.039 414 Y CB 2.315 40.488 38.460 -0.479 0.000 1.271 414 Y HN -0.259 nan 8.280 nan 0.000 0.467 415 L N 3.386 124.475 121.223 -0.222 0.000 2.313 415 L HA 0.508 4.847 4.340 -0.001 0.000 0.283 415 L C -1.869 174.871 176.870 -0.217 0.000 1.013 415 L CA -0.924 53.768 54.840 -0.246 0.000 0.816 415 L CB 0.495 42.317 42.059 -0.396 0.000 1.236 415 L HN 0.671 nan 8.230 nan 0.000 0.419 416 Y N 6.104 126.349 120.300 -0.092 0.000 2.328 416 Y HA 0.502 5.052 4.550 -0.001 0.000 0.337 416 Y C -0.183 175.744 175.900 0.046 0.000 1.008 416 Y CA -0.330 57.727 58.100 -0.073 0.000 1.129 416 Y CB 1.281 39.596 38.460 -0.242 0.000 1.185 416 Y HN 0.575 nan 8.280 nan 0.000 0.476 417 Y N 0.574 120.948 120.300 0.123 0.000 2.581 417 Y HA 0.827 5.377 4.550 -0.001 0.000 0.345 417 Y C -1.591 174.409 175.900 0.167 0.000 1.036 417 Y CA -1.928 56.236 58.100 0.107 0.000 1.042 417 Y CB 1.163 39.660 38.460 0.062 0.000 1.289 417 Y HN 0.409 nan 8.280 nan 0.000 0.471 418 I N 3.064 123.784 120.570 0.250 0.000 2.412 418 I HA 0.631 4.800 4.170 -0.001 0.000 0.296 418 I C -0.287 176.016 176.117 0.309 0.000 0.987 418 I CA -0.346 61.055 61.300 0.168 0.000 1.180 418 I CB 1.921 39.980 38.000 0.098 0.000 1.340 418 I HN 0.888 nan 8.210 nan 0.000 0.455 419 S N 2.971 118.825 115.700 0.257 0.000 2.625 419 S HA 0.402 4.871 4.470 -0.001 0.000 0.271 419 S C -0.680 173.998 174.600 0.130 0.000 1.161 419 S CA -0.920 57.438 58.200 0.262 0.000 0.820 419 S CB 1.604 65.012 63.200 0.347 0.000 1.137 419 S HN 0.634 nan 8.310 nan 0.000 0.470 420 N N -0.342 118.429 118.700 0.119 0.000 2.453 420 N HA 0.164 4.903 4.740 -0.001 0.000 0.270 420 N C 0.475 175.968 175.510 -0.027 0.000 1.195 420 N CA -0.376 52.694 53.050 0.033 0.000 0.902 420 N CB 0.366 38.858 38.487 0.008 0.000 1.186 420 N HN 0.803 nan 8.380 nan 0.000 0.510 421 E N -0.083 119.954 120.200 -0.272 0.000 2.150 421 E HA -0.171 4.178 4.350 -0.001 0.000 0.193 421 E C -0.460 175.967 176.600 -0.288 0.000 0.985 421 E CA 0.140 56.114 56.400 -0.711 0.000 0.814 421 E CB -0.026 28.599 29.700 -1.793 0.000 0.752 421 E HN 0.555 nan 8.360 nan 0.000 0.466 422 Y N 2.104 122.300 120.300 -0.173 0.000 2.677 422 Y HA -0.100 4.450 4.550 -0.001 0.000 0.335 422 Y C 0.119 175.970 175.900 -0.082 0.000 1.162 422 Y CA 0.141 58.188 58.100 -0.089 0.000 1.483 422 Y CB 0.271 38.706 38.460 -0.041 0.000 1.209 422 Y HN -0.020 nan 8.280 nan 0.000 0.528 423 K N 3.648 123.732 120.400 -0.528 0.000 3.341 423 K HA -0.210 4.110 4.320 -0.001 0.000 0.305 423 K C 0.713 177.211 176.600 -0.170 0.000 1.270 423 K CA 0.958 56.992 56.287 -0.423 0.000 0.897 423 K CB -2.028 30.155 32.500 -0.529 0.000 1.264 423 K HN 1.309 nan 8.250 nan 0.000 0.468 424 G N 0.732 109.448 108.800 -0.140 0.000 2.225 424 G HA2 -0.335 3.625 3.960 -0.001 0.000 0.267 424 G HA3 -0.335 3.625 3.960 -0.001 0.000 0.267 424 G C 0.105 174.948 174.900 -0.094 0.000 1.024 424 G CA 0.881 45.944 45.100 -0.063 0.000 0.784 424 G HN 0.350 nan 8.290 nan 0.000 0.507 425 M N 0.073 119.550 119.600 -0.205 0.000 2.080 425 M HA 0.262 4.742 4.480 -0.001 0.000 0.350 425 M C -1.464 174.571 176.300 -0.441 0.000 1.143 425 M CA -1.991 53.014 55.300 -0.491 0.000 1.064 425 M CB 1.661 34.047 32.600 -0.357 0.000 1.429 425 M HN -0.144 nan 8.290 nan 0.000 0.418 426 P HA -0.043 nan 4.420 nan 0.000 0.228 426 P C 1.108 178.280 177.300 -0.214 0.000 1.151 426 P CA 0.873 63.809 63.100 -0.272 0.000 0.770 426 P CB 0.225 31.779 31.700 -0.242 0.000 0.786 427 G N -1.150 107.465 108.800 -0.309 0.000 3.233 427 G HA2 0.308 4.267 3.960 -0.001 0.000 0.234 427 G HA3 0.308 4.267 3.960 -0.001 0.000 0.234 427 G C 0.597 175.513 174.900 0.026 0.000 1.137 427 G CA -0.005 45.036 45.100 -0.100 0.000 0.763 427 G HN 0.361 nan 8.290 nan 0.000 0.549 428 G N -0.047 108.712 108.800 -0.068 0.000 2.434 428 G HA2 0.627 4.586 3.960 -0.001 0.000 0.330 428 G HA3 0.627 4.586 3.960 -0.001 0.000 0.330 428 G C -0.799 174.013 174.900 -0.147 0.000 1.155 428 G CA -0.701 44.392 45.100 -0.011 0.000 0.917 428 G HN 0.070 nan 8.290 nan 0.000 0.493 429 R N 0.658 121.033 120.500 -0.209 0.000 2.515 429 R HA 0.334 4.673 4.340 -0.001 0.000 0.291 429 R C -1.301 174.959 176.300 -0.067 0.000 1.046 429 R CA -0.739 55.193 56.100 -0.280 0.000 0.914 429 R CB 1.850 31.710 30.300 -0.734 0.000 1.191 429 R HN 0.694 nan 8.270 nan 0.000 0.435 430 N N 0.773 119.450 118.700 -0.039 0.000 2.284 430 N HA 0.448 5.187 4.740 -0.001 0.000 0.289 430 N C -1.419 173.940 175.510 -0.251 0.000 1.179 430 N CA -0.793 52.144 53.050 -0.188 0.000 0.774 430 N CB 2.184 40.446 38.487 -0.375 0.000 1.548 430 N HN 0.249 nan 8.380 nan 0.000 0.473 431 L N 2.187 123.122 121.223 -0.480 0.000 2.292 431 L HA 0.519 4.858 4.340 -0.001 0.000 0.284 431 L C -1.621 174.873 176.870 -0.628 0.000 1.065 431 L CA -0.030 54.566 54.840 -0.407 0.000 0.806 431 L CB -0.033 41.791 42.059 -0.391 0.000 1.175 431 L HN 0.524 nan 8.230 nan 0.000 0.431 432 Y N 3.226 123.196 120.300 -0.549 0.000 2.570 432 Y HA 0.582 5.131 4.550 -0.001 0.000 0.345 432 Y C -0.545 175.067 175.900 -0.481 0.000 1.014 432 Y CA -0.930 56.811 58.100 -0.597 0.000 1.063 432 Y CB 1.793 39.687 38.460 -0.943 0.000 1.272 432 Y HN 0.522 nan 8.280 nan 0.000 0.477 433 K N 2.050 122.341 120.400 -0.181 0.000 2.345 433 K HA 0.711 5.031 4.320 -0.001 0.000 0.255 433 K C -1.685 174.895 176.600 -0.033 0.000 0.934 433 K CA -0.749 55.368 56.287 -0.284 0.000 0.801 433 K CB 2.609 34.707 32.500 -0.671 0.000 1.137 433 K HN 0.730 nan 8.250 nan 0.000 0.424 434 I N 2.122 122.718 120.570 0.044 0.000 2.339 434 I HA 0.121 4.290 4.170 -0.001 0.000 0.290 434 I C -0.459 175.716 176.117 0.097 0.000 0.994 434 I CA -0.564 60.816 61.300 0.133 0.000 1.191 434 I CB 1.553 39.659 38.000 0.176 0.000 1.343 434 I HN 0.827 nan 8.210 nan 0.000 0.458 435 Q N 5.849 125.717 119.800 0.113 0.000 2.263 435 Q HA 0.043 4.382 4.340 -0.001 0.000 0.270 435 Q C 0.315 176.250 176.000 -0.108 0.000 1.104 435 Q CA -0.420 55.338 55.803 -0.076 0.000 0.909 435 Q CB 0.965 29.681 28.738 -0.036 0.000 1.214 435 Q HN 0.803 nan 8.270 nan 0.000 0.400 436 L N 3.314 124.413 121.223 -0.206 0.000 2.127 436 L HA -0.182 4.157 4.340 -0.001 0.000 0.211 436 L C 2.264 179.000 176.870 -0.223 0.000 1.089 436 L CA 1.992 56.763 54.840 -0.115 0.000 0.757 436 L CB -1.037 40.938 42.059 -0.139 0.000 0.899 436 L HN 0.766 nan 8.230 nan 0.000 0.434 437 S N -2.276 113.268 115.700 -0.260 0.000 2.607 437 S HA -0.002 4.467 4.470 -0.001 0.000 0.224 437 S C 0.472 174.886 174.600 -0.311 0.000 0.969 437 S CA 0.212 58.253 58.200 -0.264 0.000 0.927 437 S CB -0.058 63.022 63.200 -0.200 0.000 0.772 437 S HN 0.445 nan 8.310 nan 0.000 0.533 438 D N -0.516 119.687 120.400 -0.328 0.000 2.296 438 D HA 0.140 4.780 4.640 -0.001 0.000 0.224 438 D C -0.434 175.790 176.300 -0.128 0.000 1.324 438 D CA -0.487 53.349 54.000 -0.274 0.000 0.940 438 D CB -0.103 40.611 40.800 -0.143 0.000 1.492 438 D HN -0.051 nan 8.370 nan 0.000 0.531 439 Y N 1.248 121.524 120.300 -0.040 0.000 2.333 439 Y HA -0.089 4.461 4.550 -0.001 0.000 0.290 439 Y C 2.431 178.333 175.900 0.004 0.000 1.144 439 Y CA 1.296 59.382 58.100 -0.023 0.000 1.228 439 Y CB -0.744 37.701 38.460 -0.026 0.000 0.985 439 Y HN 0.343 nan 8.280 nan 0.000 0.542 440 T N -0.675 113.957 114.554 0.130 0.000 3.072 440 T HA -0.085 4.264 4.350 -0.001 0.000 0.266 440 T C 0.834 175.580 174.700 0.077 0.000 1.127 440 T CA 0.584 62.737 62.100 0.088 0.000 1.107 440 T CB -0.202 68.695 68.868 0.048 0.000 0.910 440 T HN 0.130 nan 8.240 nan 0.000 0.513 441 K N 2.236 122.679 120.400 0.072 0.000 2.150 441 K HA 0.378 4.697 4.320 -0.001 0.000 0.261 441 K C -1.193 175.468 176.600 0.102 0.000 1.127 441 K CA -0.188 56.141 56.287 0.071 0.000 0.989 441 K CB 0.450 32.980 32.500 0.051 0.000 1.475 441 K HN 0.046 nan 8.250 nan 0.000 0.391 442 V N 2.357 122.335 119.914 0.106 0.000 2.448 442 V HA 0.265 4.384 4.120 -0.001 0.000 0.295 442 V C -0.132 176.022 176.094 0.101 0.000 1.025 442 V CA -0.765 61.613 62.300 0.131 0.000 0.859 442 V CB 1.954 33.877 31.823 0.168 0.000 0.988 442 V HN 0.541 nan 8.190 nan 0.000 0.431 443 T N 3.400 117.989 114.554 0.059 0.000 2.770 443 T HA 0.221 4.570 4.350 -0.001 0.000 0.283 443 T C -0.264 174.375 174.700 -0.102 0.000 0.988 443 T CA -0.261 61.827 62.100 -0.020 0.000 0.957 443 T CB 1.126 69.953 68.868 -0.070 0.000 0.930 443 T HN 0.745 nan 8.240 nan 0.000 0.443 444 C N 5.362 124.541 119.300 -0.202 0.000 2.555 444 C HA 0.337 4.797 4.460 -0.001 0.000 0.385 444 C C 1.782 176.467 174.990 -0.508 0.000 1.296 444 C CA -0.510 58.129 59.018 -0.632 0.000 1.757 444 C CB -1.895 25.402 27.740 -0.738 0.000 2.445 444 C HN 0.977 nan 8.230 nan 0.000 0.571 445 L N 4.502 125.388 121.223 -0.561 0.000 2.375 445 L HA 0.047 4.387 4.340 -0.001 0.000 0.215 445 L C 2.237 178.799 176.870 -0.513 0.000 1.108 445 L CA 1.180 55.768 54.840 -0.420 0.000 0.830 445 L CB -0.228 41.617 42.059 -0.356 0.000 0.959 445 L HN 0.890 nan 8.230 nan 0.000 0.457 446 S N -3.203 112.064 115.700 -0.722 0.000 2.593 446 S HA -0.023 4.446 4.470 -0.001 0.000 0.235 446 S C 1.882 176.041 174.600 -0.735 0.000 1.059 446 S CA -0.098 57.539 58.200 -0.939 0.000 0.953 446 S CB -0.326 61.879 63.200 -1.658 0.000 0.897 446 S HN 0.284 nan 8.310 nan 0.000 0.507 447 C N 2.028 120.896 119.300 -0.720 0.000 2.385 447 C HA -0.045 4.414 4.460 -0.001 0.000 0.275 447 C C 2.364 177.033 174.990 -0.536 0.000 1.207 447 C CA 1.632 60.158 59.018 -0.819 0.000 1.760 447 C CB -1.103 25.995 27.740 -1.070 0.000 2.051 447 C HN 0.661 nan 8.230 nan 0.000 0.467 448 E N -0.463 119.525 120.200 -0.352 0.000 2.501 448 E HA 0.221 4.570 4.350 -0.001 0.000 0.201 448 E C 1.742 178.279 176.600 -0.105 0.000 1.016 448 E CA -0.152 56.141 56.400 -0.179 0.000 0.920 448 E CB -0.055 29.565 29.700 -0.134 0.000 1.023 448 E HN 0.540 nan 8.360 nan 0.000 0.474 449 L N 0.244 121.402 121.223 -0.109 0.000 1.994 449 L HA -0.039 4.300 4.340 -0.001 0.000 0.208 449 L C 0.976 177.850 176.870 0.008 0.000 1.071 449 L CA 0.888 55.707 54.840 -0.034 0.000 0.745 449 L CB 0.084 42.140 42.059 -0.005 0.000 0.892 449 L HN 0.124 nan 8.230 nan 0.000 0.431 450 N N -1.143 117.578 118.700 0.034 0.000 2.751 450 N HA 0.114 4.854 4.740 -0.001 0.000 0.234 450 N C -2.174 173.352 175.510 0.026 0.000 1.403 450 N CA -1.072 51.990 53.050 0.020 0.000 0.747 450 N CB 1.093 39.587 38.487 0.011 0.000 1.326 450 N HN -0.153 nan 8.380 nan 0.000 0.532 451 P HA -0.139 nan 4.420 nan 0.000 0.219 451 P C 0.916 178.254 177.300 0.063 0.000 1.146 451 P CA 1.078 64.210 63.100 0.052 0.000 0.808 451 P CB 0.711 32.455 31.700 0.073 0.000 0.779 452 E N 0.289 120.510 120.200 0.035 0.000 2.122 452 E HA -0.139 4.211 4.350 -0.001 0.000 0.190 452 E C 2.259 178.859 176.600 0.000 0.000 0.977 452 E CA 0.403 56.817 56.400 0.023 0.000 0.820 452 E CB 0.047 29.754 29.700 0.012 0.000 0.770 452 E HN 0.048 nan 8.360 nan 0.000 0.462 453 R N -0.634 119.853 120.500 -0.021 0.000 2.210 453 R HA 0.101 4.440 4.340 -0.001 0.000 0.203 453 R C -0.235 176.015 176.300 -0.083 0.000 1.010 453 R CA 0.635 56.700 56.100 -0.058 0.000 1.008 453 R CB 0.210 30.465 30.300 -0.074 0.000 0.923 453 R HN 0.018 nan 8.270 nan 0.000 0.469 454 c N 0.944 119.504 118.600 -0.066 0.000 2.407 454 c HA 0.425 4.995 4.570 -0.001 0.000 0.328 454 c C -0.405 173.650 174.090 -0.058 0.000 1.137 454 c CA -0.613 55.618 56.329 -0.163 0.000 1.390 454 c CB 1.363 43.756 42.510 -0.195 0.000 1.989 454 c HN 0.605 nan 8.230 nan 0.000 0.432 455 Q N 0.577 120.337 119.800 -0.067 0.000 2.073 455 Q HA 0.211 4.550 4.340 -0.001 0.000 0.215 455 Q C -1.015 175.039 176.000 0.089 0.000 0.776 455 Q CA 0.066 55.911 55.803 0.070 0.000 1.008 455 Q CB 1.294 30.096 28.738 0.107 0.000 1.196 455 Q HN 0.788 nan 8.270 nan 0.000 0.458 456 Y N 0.407 120.583 120.300 -0.207 0.000 2.445 456 Y HA 0.364 4.914 4.550 -0.001 0.000 0.332 456 Y C -1.665 174.077 175.900 -0.263 0.000 1.037 456 Y CA -0.914 57.096 58.100 -0.151 0.000 1.296 456 Y CB 0.713 39.102 38.460 -0.118 0.000 1.099 456 Y HN -0.053 nan 8.280 nan 0.000 0.496 457 Y N 2.467 122.674 120.300 -0.155 0.000 2.409 457 Y HA 0.588 5.137 4.550 -0.001 0.000 0.339 457 Y C 0.428 176.259 175.900 -0.115 0.000 1.033 457 Y CA -0.447 57.584 58.100 -0.115 0.000 1.094 457 Y CB 2.024 40.389 38.460 -0.158 0.000 1.210 457 Y HN 0.521 nan 8.280 nan 0.000 0.456 458 S N 1.579 117.357 115.700 0.130 0.000 2.715 458 S HA 0.888 5.358 4.470 -0.001 0.000 0.307 458 S C -1.411 173.262 174.600 0.121 0.000 1.119 458 S CA -0.747 57.522 58.200 0.115 0.000 0.937 458 S CB 1.930 65.213 63.200 0.138 0.000 1.150 458 S HN 0.613 nan 8.310 nan 0.000 0.521 459 V N 0.179 120.161 119.914 0.113 0.000 3.012 459 V HA 0.795 4.914 4.120 -0.001 0.000 0.307 459 V C -1.331 174.840 176.094 0.128 0.000 1.166 459 V CA -0.233 62.103 62.300 0.060 0.000 0.974 459 V CB 2.232 33.997 31.823 -0.097 0.000 1.040 459 V HN 1.144 nan 8.190 nan 0.000 0.428 460 S N 5.405 121.186 115.700 0.134 0.000 2.774 460 S HA 0.666 5.135 4.470 -0.001 0.000 0.297 460 S C -1.062 173.732 174.600 0.322 0.000 1.143 460 S CA -0.370 58.008 58.200 0.295 0.000 1.090 460 S CB 0.318 63.738 63.200 0.367 0.000 1.019 460 S HN 0.516 nan 8.310 nan 0.000 0.482 461 F N 3.184 123.238 119.950 0.172 0.000 2.389 461 F HA 0.380 4.906 4.527 -0.001 0.000 0.337 461 F C 1.501 176.970 175.800 -0.552 0.000 1.112 461 F CA -0.161 57.793 58.000 -0.076 0.000 1.192 461 F CB 1.206 40.117 39.000 -0.149 0.000 1.185 461 F HN 0.615 nan 8.300 nan 0.000 0.552 462 S N 1.624 116.787 115.700 -0.896 0.000 2.606 462 S HA 0.099 4.568 4.470 -0.001 0.000 0.257 462 S C 1.292 175.588 174.600 -0.507 0.000 1.327 462 S CA -0.683 56.619 58.200 -1.496 0.000 0.984 462 S CB 0.688 63.045 63.200 -1.404 0.000 0.941 462 S HN 0.762 nan 8.310 nan 0.000 0.576 463 K N 0.414 120.625 120.400 -0.314 0.000 2.107 463 K HA -0.193 4.127 4.320 -0.001 0.000 0.211 463 K C 1.340 177.890 176.600 -0.083 0.000 1.049 463 K CA 2.121 58.350 56.287 -0.097 0.000 0.927 463 K CB -0.155 32.322 32.500 -0.039 0.000 0.714 463 K HN 0.734 nan 8.250 nan 0.000 0.452 464 E N -1.918 118.208 120.200 -0.124 0.000 2.651 464 E HA 0.309 4.659 4.350 -0.001 0.000 0.208 464 E C -0.609 175.937 176.600 -0.090 0.000 0.997 464 E CA 0.520 56.872 56.400 -0.079 0.000 1.020 464 E CB 0.987 30.648 29.700 -0.066 0.000 1.052 464 E HN 0.363 nan 8.360 nan 0.000 0.465 465 A N 0.629 123.380 122.820 -0.116 0.000 2.847 465 A HA -0.357 3.963 4.320 -0.001 0.000 0.263 465 A C 1.548 179.121 177.584 -0.019 0.000 1.391 465 A CA 1.565 53.576 52.037 -0.043 0.000 0.866 465 A CB -2.013 16.851 19.000 -0.227 0.000 1.057 465 A HN 0.340 nan 8.150 nan 0.000 0.673 466 K N -1.508 118.793 120.400 -0.165 0.000 2.097 466 K HA -0.018 4.301 4.320 -0.001 0.000 0.205 466 K C 0.328 176.659 176.600 -0.448 0.000 1.050 466 K CA 1.601 57.695 56.287 -0.322 0.000 0.938 466 K CB -0.041 32.185 32.500 -0.458 0.000 0.718 466 K HN 0.706 nan 8.250 nan 0.000 0.442 467 Y N -0.913 119.348 120.300 -0.065 0.000 2.562 467 Y HA 0.322 4.871 4.550 -0.001 0.000 0.343 467 Y C -0.828 175.062 175.900 -0.017 0.000 1.025 467 Y CA -1.517 56.565 58.100 -0.029 0.000 1.082 467 Y CB 1.634 40.161 38.460 0.113 0.000 1.264 467 Y HN -0.037 nan 8.280 nan 0.000 0.478 468 Y N -1.020 119.320 120.300 0.066 0.000 2.504 468 Y HA 0.479 5.028 4.550 -0.001 0.000 0.344 468 Y C -1.105 174.842 175.900 0.079 0.000 1.023 468 Y CA -1.540 56.440 58.100 -0.200 0.000 1.020 468 Y CB 1.339 39.127 38.460 -1.119 0.000 1.282 468 Y HN 0.562 nan 8.280 nan 0.000 0.454 469 Q N 3.941 123.885 119.800 0.239 0.000 2.278 469 Q HA 0.486 4.825 4.340 -0.001 0.000 0.257 469 Q C -1.608 174.497 176.000 0.174 0.000 0.928 469 Q CA -0.618 55.275 55.803 0.149 0.000 0.932 469 Q CB 1.098 29.875 28.738 0.066 0.000 1.221 469 Q HN 0.970 nan 8.270 nan 0.000 0.434 470 L N 4.323 125.676 121.223 0.217 0.000 2.292 470 L HA 0.476 4.816 4.340 -0.001 0.000 0.284 470 L C 0.123 177.070 176.870 0.128 0.000 1.065 470 L CA -0.373 54.586 54.840 0.199 0.000 0.806 470 L CB 1.229 43.424 42.059 0.227 0.000 1.175 470 L HN 0.538 nan 8.230 nan 0.000 0.431 471 R N 3.530 124.073 120.500 0.071 0.000 2.288 471 R HA 0.345 4.684 4.340 -0.001 0.000 0.326 471 R C -1.013 175.135 176.300 -0.254 0.000 0.959 471 R CA -0.512 55.460 56.100 -0.214 0.000 0.834 471 R CB 1.252 31.503 30.300 -0.080 0.000 1.157 471 R HN 0.734 nan 8.270 nan 0.000 0.470 472 c N 4.042 122.354 118.600 -0.480 0.000 2.265 472 c HA 0.410 4.979 4.570 -0.001 0.000 0.332 472 c C 0.830 174.683 174.090 -0.394 0.000 1.248 472 c CA -0.400 55.556 56.329 -0.620 0.000 1.727 472 c CB 0.674 42.742 42.510 -0.736 0.000 2.348 472 c HN 0.965 nan 8.230 nan 0.000 0.519 473 S N 3.435 119.011 115.700 -0.207 0.000 2.556 473 S HA 0.510 4.979 4.470 -0.001 0.000 0.216 473 S C 0.727 175.288 174.600 -0.066 0.000 0.970 473 S CA 0.460 58.604 58.200 -0.094 0.000 0.912 473 S CB 0.126 63.308 63.200 -0.029 0.000 0.790 473 S HN 1.456 nan 8.310 nan 0.000 0.504 474 G N 1.595 110.337 108.800 -0.096 0.000 2.337 474 G HA2 0.237 4.196 3.960 -0.001 0.000 0.298 474 G HA3 0.237 4.196 3.960 -0.001 0.000 0.298 474 G C -2.987 171.885 174.900 -0.046 0.000 1.335 474 G CA -0.662 44.416 45.100 -0.038 0.000 0.875 474 G HN -0.168 nan 8.290 nan 0.000 0.579 475 P HA 0.135 nan 4.420 nan 0.000 0.229 475 P C 1.323 178.638 177.300 0.026 0.000 1.160 475 P CA 1.379 64.500 63.100 0.034 0.000 0.777 475 P CB 0.263 31.982 31.700 0.031 0.000 0.814 476 G N 0.686 109.437 108.800 -0.081 0.000 2.588 476 G HA2 0.317 4.276 3.960 -0.001 0.000 0.278 476 G HA3 0.317 4.276 3.960 -0.001 0.000 0.278 476 G C -0.477 174.188 174.900 -0.392 0.000 1.307 476 G CA -0.490 44.482 45.100 -0.213 0.000 1.016 476 G HN -0.029 nan 8.290 nan 0.000 0.503 477 L N 1.235 122.110 121.223 -0.580 0.000 2.593 477 L HA 0.121 4.460 4.340 -0.001 0.000 0.287 477 L C -1.614 175.101 176.870 -0.258 0.000 1.243 477 L CA -0.867 53.641 54.840 -0.554 0.000 0.890 477 L CB -0.078 41.746 42.059 -0.392 0.000 1.134 477 L HN 0.236 nan 8.230 nan 0.000 0.502 478 P HA 0.052 nan 4.420 nan 0.000 0.263 478 P C -0.919 176.301 177.300 -0.133 0.000 1.175 478 P CA -0.014 63.005 63.100 -0.135 0.000 0.761 478 P CB 0.502 32.213 31.700 0.018 0.000 0.794 479 L N 5.349 126.398 121.223 -0.291 0.000 2.409 479 L HA 0.472 4.812 4.340 -0.001 0.000 0.272 479 L C -1.669 174.999 176.870 -0.336 0.000 0.980 479 L CA -0.699 54.031 54.840 -0.184 0.000 0.826 479 L CB 0.930 42.908 42.059 -0.135 0.000 1.268 479 L HN 0.250 nan 8.230 nan 0.000 0.407 480 Y N 2.779 123.036 120.300 -0.072 0.000 2.335 480 Y HA 0.718 5.267 4.550 -0.001 0.000 0.338 480 Y C 0.385 176.165 175.900 -0.200 0.000 0.977 480 Y CA -0.525 57.513 58.100 -0.103 0.000 1.114 480 Y CB 2.120 40.514 38.460 -0.110 0.000 1.182 480 Y HN 0.658 nan 8.280 nan 0.000 0.463 481 T N 1.503 116.031 114.554 -0.044 0.000 2.909 481 T HA 0.616 4.965 4.350 -0.001 0.000 0.299 481 T C -1.254 173.287 174.700 -0.266 0.000 1.073 481 T CA -0.916 61.069 62.100 -0.192 0.000 0.999 481 T CB 1.541 70.322 68.868 -0.146 0.000 1.098 481 T HN 0.531 nan 8.240 nan 0.000 0.477 482 L N 2.880 123.830 121.223 -0.455 0.000 2.309 482 L HA 0.557 4.896 4.340 -0.001 0.000 0.282 482 L C -0.340 176.144 176.870 -0.643 0.000 1.036 482 L CA -0.750 53.858 54.840 -0.387 0.000 0.806 482 L CB 1.030 42.908 42.059 -0.303 0.000 1.220 482 L HN 0.821 nan 8.230 nan 0.000 0.429 483 H N 1.291 120.135 119.070 -0.377 0.000 2.946 483 H HA 0.374 4.930 4.556 -0.001 0.000 0.365 483 H C -0.761 174.370 175.328 -0.329 0.000 1.197 483 H CA -0.836 54.913 56.048 -0.497 0.000 1.131 483 H CB 2.256 31.422 29.762 -0.993 0.000 1.849 483 H HN 0.496 nan 8.280 nan 0.000 0.555 484 S N -0.007 115.680 115.700 -0.021 0.000 2.449 484 S HA 0.146 4.615 4.470 -0.001 0.000 0.310 484 S C 0.960 175.587 174.600 0.045 0.000 1.096 484 S CA -0.538 57.727 58.200 0.108 0.000 1.095 484 S CB 1.605 64.903 63.200 0.162 0.000 1.007 484 S HN 0.691 nan 8.310 nan 0.000 0.474 485 S N 2.132 117.890 115.700 0.098 0.000 2.489 485 S HA -0.065 4.404 4.470 -0.001 0.000 0.228 485 S C 1.490 176.162 174.600 0.120 0.000 0.995 485 S CA 0.531 58.879 58.200 0.247 0.000 0.934 485 S CB -0.452 62.915 63.200 0.279 0.000 0.771 485 S HN 0.610 nan 8.310 nan 0.000 0.522 486 V N 3.648 123.587 119.914 0.042 0.000 2.407 486 V HA -0.145 3.974 4.120 -0.001 0.000 0.248 486 V C 1.727 177.841 176.094 0.033 0.000 1.055 486 V CA 2.148 64.468 62.300 0.033 0.000 1.049 486 V CB -0.569 31.259 31.823 0.008 0.000 0.662 486 V HN 0.865 nan 8.190 nan 0.000 0.455 487 N N -2.980 115.742 118.700 0.036 0.000 2.143 487 N HA 0.056 4.796 4.740 -0.001 0.000 0.222 487 N C 0.352 175.882 175.510 0.034 0.000 1.264 487 N CA 0.558 53.625 53.050 0.028 0.000 0.897 487 N CB 0.241 38.743 38.487 0.025 0.000 1.092 487 N HN 0.381 nan 8.380 nan 0.000 0.516 488 D N 0.323 120.764 120.400 0.069 0.000 3.039 488 D HA -0.193 4.446 4.640 -0.001 0.000 0.222 488 D C -0.242 176.101 176.300 0.070 0.000 1.179 488 D CA 1.086 55.148 54.000 0.105 0.000 0.880 488 D CB -0.989 39.862 40.800 0.085 0.000 1.115 488 D HN 0.772 nan 8.370 nan 0.000 0.416 489 K N 0.203 120.630 120.400 0.045 0.000 2.168 489 K HA 0.454 4.774 4.320 -0.001 0.000 0.258 489 K C 0.695 177.311 176.600 0.027 0.000 1.010 489 K CA -0.103 56.204 56.287 0.032 0.000 0.929 489 K CB 0.878 33.384 32.500 0.010 0.000 0.998 489 K HN -0.049 nan 8.250 nan 0.000 0.479 490 G N 2.124 110.913 108.800 -0.019 0.000 2.349 490 G HA2 0.238 4.198 3.960 -0.001 0.000 0.281 490 G HA3 0.238 4.198 3.960 -0.001 0.000 0.281 490 G C 0.410 175.191 174.900 -0.199 0.000 1.182 490 G CA -0.794 44.182 45.100 -0.207 0.000 0.899 490 G HN 0.636 nan 8.290 nan 0.000 0.455 491 L N 1.763 122.828 121.223 -0.263 0.000 2.007 491 L HA 0.236 4.575 4.340 -0.001 0.000 0.205 491 L C 1.707 178.459 176.870 -0.196 0.000 1.073 491 L CA 1.148 55.876 54.840 -0.187 0.000 0.744 491 L CB -0.167 41.778 42.059 -0.190 0.000 0.898 491 L HN 0.746 nan 8.230 nan 0.000 0.435 492 R N -1.931 118.406 120.500 -0.271 0.000 2.709 492 R HA 0.343 4.682 4.340 -0.001 0.000 0.270 492 R C -1.553 174.579 176.300 -0.280 0.000 1.038 492 R CA -0.877 55.085 56.100 -0.231 0.000 0.872 492 R CB 1.173 31.366 30.300 -0.179 0.000 1.259 492 R HN -0.245 nan 8.270 nan 0.000 0.473 493 V N 3.463 123.247 119.914 -0.217 0.000 2.521 493 V HA 0.064 4.183 4.120 -0.001 0.000 0.286 493 V C 1.439 177.364 176.094 -0.282 0.000 1.034 493 V CA 0.072 62.247 62.300 -0.208 0.000 1.045 493 V CB 0.782 32.525 31.823 -0.132 0.000 0.974 493 V HN 0.639 nan 8.190 nan 0.000 0.480 494 L N 2.683 123.668 121.223 -0.396 0.000 2.200 494 L HA 0.297 4.636 4.340 -0.001 0.000 0.200 494 L C 0.795 177.381 176.870 -0.475 0.000 1.072 494 L CA 0.644 55.044 54.840 -0.734 0.000 0.787 494 L CB 0.178 41.403 42.059 -1.390 0.000 0.957 494 L HN 0.682 nan 8.230 nan 0.000 0.459 495 E N 0.029 120.107 120.200 -0.204 0.000 2.287 495 E HA 0.089 4.438 4.350 -0.001 0.000 0.274 495 E C -0.941 175.708 176.600 0.082 0.000 0.896 495 E CA -0.364 56.040 56.400 0.007 0.000 0.788 495 E CB 1.133 30.888 29.700 0.090 0.000 1.244 495 E HN 0.176 nan 8.360 nan 0.000 0.408 496 D N 3.249 123.669 120.400 0.034 0.000 2.369 496 D HA 0.086 4.725 4.640 -0.001 0.000 0.211 496 D C -0.207 176.104 176.300 0.019 0.000 1.077 496 D CA -0.172 53.837 54.000 0.015 0.000 0.842 496 D CB -0.002 40.787 40.800 -0.020 0.000 0.947 496 D HN 0.448 nan 8.370 nan 0.000 0.509 497 N N 0.219 118.949 118.700 0.050 0.000 2.754 497 N HA -0.193 4.546 4.740 -0.001 0.000 0.248 497 N C 0.882 176.403 175.510 0.018 0.000 1.093 497 N CA 0.884 53.962 53.050 0.046 0.000 0.699 497 N CB -1.420 37.091 38.487 0.041 0.000 1.016 497 N HN 0.464 nan 8.380 nan 0.000 0.552 498 S N -1.343 114.368 115.700 0.018 0.000 2.402 498 S HA 0.032 4.501 4.470 -0.001 0.000 0.229 498 S C 2.098 176.716 174.600 0.029 0.000 1.021 498 S CA 0.865 59.072 58.200 0.012 0.000 0.974 498 S CB -0.078 63.127 63.200 0.008 0.000 0.800 498 S HN 0.484 nan 8.310 nan 0.000 0.484 499 A N 1.918 124.765 122.820 0.044 0.000 1.902 499 A HA 0.054 4.373 4.320 -0.001 0.000 0.217 499 A C 2.222 179.855 177.584 0.082 0.000 1.181 499 A CA 1.607 53.680 52.037 0.059 0.000 0.623 499 A CB -0.849 18.188 19.000 0.061 0.000 0.818 499 A HN 0.517 nan 8.150 nan 0.000 0.443 500 L N 0.318 121.594 121.223 0.089 0.000 2.056 500 L HA -0.112 4.228 4.340 -0.001 0.000 0.207 500 L C 1.968 178.892 176.870 0.091 0.000 1.078 500 L CA 2.730 57.646 54.840 0.126 0.000 0.749 500 L CB -0.692 41.444 42.059 0.127 0.000 0.901 500 L HN 0.532 nan 8.230 nan 0.000 0.433 501 D N -0.609 119.809 120.400 0.031 0.000 2.133 501 D HA -0.309 4.331 4.640 -0.001 0.000 0.195 501 D C 2.232 178.548 176.300 0.027 0.000 0.997 501 D CA 1.756 55.756 54.000 -0.001 0.000 0.840 501 D CB -0.040 40.745 40.800 -0.025 0.000 0.947 501 D HN 0.300 nan 8.370 nan 0.000 0.452 502 K N -0.875 119.552 120.400 0.045 0.000 2.097 502 K HA -0.074 4.245 4.320 -0.001 0.000 0.206 502 K C 2.211 178.862 176.600 0.085 0.000 1.049 502 K CA 1.056 57.375 56.287 0.054 0.000 0.933 502 K CB -0.026 32.505 32.500 0.051 0.000 0.717 502 K HN 0.232 nan 8.250 nan 0.000 0.442 503 M N -0.185 119.493 119.600 0.129 0.000 2.099 503 M HA -0.140 4.340 4.480 -0.001 0.000 0.262 503 M C 1.532 177.938 176.300 0.177 0.000 1.067 503 M CA 1.050 56.482 55.300 0.219 0.000 1.124 503 M CB -0.078 32.741 32.600 0.366 0.000 1.353 503 M HN 0.096 nan 8.290 nan 0.000 0.410 504 L N 0.410 121.683 121.223 0.084 0.000 2.456 504 L HA -0.127 4.212 4.340 -0.001 0.000 0.224 504 L C 2.260 179.128 176.870 -0.003 0.000 1.148 504 L CA 1.499 56.322 54.840 -0.029 0.000 0.825 504 L CB -1.088 40.948 42.059 -0.038 0.000 0.937 504 L HN 0.370 nan 8.230 nan 0.000 0.450 505 Q N -0.746 119.071 119.800 0.028 0.000 2.152 505 Q HA -0.243 4.096 4.340 -0.001 0.000 0.206 505 Q C 1.951 177.976 176.000 0.042 0.000 0.985 505 Q CA 1.540 57.361 55.803 0.030 0.000 0.863 505 Q CB -0.090 28.670 28.738 0.038 0.000 0.904 505 Q HN 0.611 nan 8.270 nan 0.000 0.422 506 N N -0.251 118.486 118.700 0.062 0.000 2.415 506 N HA -0.026 4.714 4.740 -0.001 0.000 0.176 506 N C -0.049 175.504 175.510 0.072 0.000 1.042 506 N CA -0.081 53.015 53.050 0.076 0.000 0.902 506 N CB 0.659 39.209 38.487 0.105 0.000 0.986 506 N HN -0.014 nan 8.380 nan 0.000 0.447 507 V N 1.857 121.795 119.914 0.040 0.000 2.481 507 V HA 0.172 4.291 4.120 -0.001 0.000 0.286 507 V C -0.340 175.768 176.094 0.023 0.000 1.042 507 V CA -0.521 61.797 62.300 0.029 0.000 0.928 507 V CB 1.524 33.316 31.823 -0.052 0.000 0.986 507 V HN 0.121 nan 8.190 nan 0.000 0.462 508 Q N 6.574 126.407 119.800 0.056 0.000 2.388 508 Q HA 0.205 4.544 4.340 -0.001 0.000 0.246 508 Q C -0.454 175.540 176.000 -0.011 0.000 1.246 508 Q CA 0.105 55.928 55.803 0.034 0.000 0.895 508 Q CB 0.319 29.120 28.738 0.105 0.000 1.510 508 Q HN 0.601 nan 8.270 nan 0.000 0.503 509 M N 4.345 123.909 119.600 -0.059 0.000 2.277 509 M HA 0.378 4.858 4.480 -0.001 0.000 0.350 509 M C -2.046 174.188 176.300 -0.110 0.000 1.180 509 M CA -2.723 52.529 55.300 -0.080 0.000 1.103 509 M CB 0.477 33.036 32.600 -0.070 0.000 1.577 509 M HN 0.308 nan 8.290 nan 0.000 0.459 510 P HA 0.203 nan 4.420 nan 0.000 0.274 510 P C -0.619 176.600 177.300 -0.135 0.000 1.237 510 P CA -0.274 62.741 63.100 -0.142 0.000 0.793 510 P CB 0.536 32.138 31.700 -0.164 0.000 0.977 511 S N 0.427 116.033 115.700 -0.156 0.000 2.758 511 S HA 0.565 5.035 4.470 -0.001 0.000 0.292 511 S C -0.372 174.133 174.600 -0.160 0.000 1.131 511 S CA -0.730 57.389 58.200 -0.135 0.000 0.997 511 S CB 1.499 64.616 63.200 -0.137 0.000 1.111 511 S HN 0.527 nan 8.310 nan 0.000 0.552 512 K N 0.287 120.614 120.400 -0.122 0.000 2.397 512 K HA 0.399 4.718 4.320 -0.001 0.000 0.253 512 K C -1.472 175.061 176.600 -0.113 0.000 0.932 512 K CA -0.535 55.681 56.287 -0.118 0.000 0.795 512 K CB 1.553 34.010 32.500 -0.072 0.000 1.159 512 K HN 0.737 nan 8.250 nan 0.000 0.424 513 K N 5.425 125.745 120.400 -0.133 0.000 2.235 513 K HA 0.337 4.657 4.320 -0.001 0.000 0.266 513 K C -1.310 175.220 176.600 -0.117 0.000 0.980 513 K CA -0.674 55.544 56.287 -0.117 0.000 0.849 513 K CB 1.026 33.446 32.500 -0.134 0.000 1.098 513 K HN 0.519 nan 8.250 nan 0.000 0.445 514 L N 4.503 125.681 121.223 -0.075 0.000 2.305 514 L HA 0.468 4.807 4.340 -0.001 0.000 0.284 514 L C -1.191 175.671 176.870 -0.014 0.000 1.013 514 L CA -0.208 54.618 54.840 -0.023 0.000 0.819 514 L CB 1.351 43.473 42.059 0.104 0.000 1.227 514 L HN 0.886 nan 8.230 nan 0.000 0.417 515 D N 2.926 123.157 120.400 -0.281 0.000 2.768 515 D HA 0.434 5.073 4.640 -0.001 0.000 0.327 515 D C -1.510 174.483 176.300 -0.511 0.000 1.302 515 D CA -0.069 53.716 54.000 -0.359 0.000 0.897 515 D CB 2.222 42.778 40.800 -0.407 0.000 1.420 515 D HN 0.212 nan 8.370 nan 0.000 0.494 516 F N 0.007 119.581 119.950 -0.628 0.000 2.593 516 F HA 0.754 5.281 4.527 -0.001 0.000 0.320 516 F C -0.439 175.397 175.800 0.060 0.000 1.060 516 F CA -1.058 56.650 58.000 -0.486 0.000 0.940 516 F CB 0.903 39.106 39.000 -1.328 0.000 1.268 516 F HN 0.272 nan 8.300 nan 0.000 0.475 517 I N 0.405 121.168 120.570 0.321 0.000 2.910 517 I HA 0.623 4.792 4.170 -0.001 0.000 0.310 517 I C -1.140 175.183 176.117 0.344 0.000 1.043 517 I CA -1.192 60.242 61.300 0.223 0.000 1.053 517 I CB 2.077 40.199 38.000 0.203 0.000 1.242 517 I HN 0.460 nan 8.210 nan 0.000 0.452 518 I N 4.734 125.448 120.570 0.239 0.000 2.321 518 I HA 0.373 4.543 4.170 -0.001 0.000 0.291 518 I C -0.735 175.519 176.117 0.229 0.000 0.998 518 I CA -0.427 61.019 61.300 0.243 0.000 1.227 518 I CB 1.213 39.316 38.000 0.172 0.000 1.368 518 I HN 0.411 nan 8.210 nan 0.000 0.466 519 L N 7.374 128.802 121.223 0.341 0.000 2.342 519 L HA 0.437 4.776 4.340 -0.001 0.000 0.276 519 L C -0.052 176.969 176.870 0.251 0.000 0.997 519 L CA -0.279 54.728 54.840 0.279 0.000 0.838 519 L CB 0.547 42.792 42.059 0.309 0.000 1.224 519 L HN 0.487 nan 8.230 nan 0.000 0.416 520 N N 3.103 121.883 118.700 0.132 0.000 2.738 520 N HA -0.238 4.501 4.740 -0.001 0.000 0.249 520 N C 0.156 175.713 175.510 0.079 0.000 1.047 520 N CA 1.202 54.306 53.050 0.090 0.000 0.707 520 N CB -1.003 37.530 38.487 0.076 0.000 0.937 520 N HN 0.829 nan 8.380 nan 0.000 0.545 521 E N -3.857 116.387 120.200 0.073 0.000 2.971 521 E HA -0.243 4.107 4.350 -0.001 0.000 0.278 521 E C -0.723 175.890 176.600 0.021 0.000 1.009 521 E CA 1.333 57.761 56.400 0.046 0.000 0.862 521 E CB -1.666 28.049 29.700 0.027 0.000 1.436 521 E HN 0.519 nan 8.360 nan 0.000 0.434 522 T N 0.509 115.082 114.554 0.031 0.000 2.861 522 T HA 0.382 4.731 4.350 -0.001 0.000 0.287 522 T C -0.175 174.424 174.700 -0.168 0.000 1.003 522 T CA -0.874 61.155 62.100 -0.119 0.000 0.977 522 T CB 1.645 70.398 68.868 -0.191 0.000 0.996 522 T HN -0.004 nan 8.240 nan 0.000 0.448 523 K N 2.086 122.322 120.400 -0.273 0.000 2.379 523 K HA 0.421 4.740 4.320 -0.001 0.000 0.284 523 K C -1.032 175.309 176.600 -0.433 0.000 1.044 523 K CA 0.074 56.214 56.287 -0.244 0.000 0.974 523 K CB 0.306 32.539 32.500 -0.444 0.000 0.962 523 K HN 0.392 nan 8.250 nan 0.000 0.474 524 F N 2.099 122.134 119.950 0.142 0.000 2.518 524 F HA 0.330 4.856 4.527 -0.001 0.000 0.323 524 F C -0.602 175.292 175.800 0.156 0.000 1.129 524 F CA -0.754 57.329 58.000 0.138 0.000 0.920 524 F CB 1.020 40.127 39.000 0.178 0.000 1.160 524 F HN 0.410 nan 8.300 nan 0.000 0.440 525 W N 3.935 125.374 121.300 0.231 0.000 2.376 525 W HA 0.526 5.185 4.660 -0.001 0.000 0.322 525 W C -0.663 176.034 176.519 0.297 0.000 1.160 525 W CA -0.630 56.873 57.345 0.263 0.000 1.218 525 W CB 0.832 30.377 29.460 0.142 0.000 1.205 525 W HN 0.445 nan 8.180 nan 0.000 0.559 526 Y N 0.145 120.760 120.300 0.525 0.000 2.581 526 Y HA 0.685 5.235 4.550 -0.001 0.000 0.345 526 Y C -0.848 175.270 175.900 0.364 0.000 1.036 526 Y CA -1.807 56.609 58.100 0.527 0.000 1.042 526 Y CB 1.225 40.173 38.460 0.813 0.000 1.289 526 Y HN 0.565 nan 8.280 nan 0.000 0.471 527 Q N 2.545 122.537 119.800 0.320 0.000 2.394 527 Q HA 0.736 5.076 4.340 -0.001 0.000 0.273 527 Q C -1.739 174.350 176.000 0.149 0.000 1.089 527 Q CA -1.154 54.718 55.803 0.115 0.000 0.812 527 Q CB 3.212 32.005 28.738 0.091 0.000 1.353 527 Q HN 0.878 nan 8.270 nan 0.000 0.438 528 M N 2.466 122.082 119.600 0.028 0.000 2.326 528 M HA 0.421 4.901 4.480 -0.001 0.000 0.306 528 M C -1.197 175.024 176.300 -0.131 0.000 1.054 528 M CA -0.966 54.297 55.300 -0.061 0.000 0.922 528 M CB 2.086 34.610 32.600 -0.127 0.000 1.632 528 M HN 0.599 nan 8.290 nan 0.000 0.436 529 I N 5.336 125.830 120.570 -0.126 0.000 2.291 529 I HA 0.290 4.459 4.170 -0.001 0.000 0.292 529 I C -0.430 175.543 176.117 -0.241 0.000 1.064 529 I CA -0.210 60.990 61.300 -0.167 0.000 1.269 529 I CB -0.309 37.612 38.000 -0.132 0.000 1.418 529 I HN 0.624 nan 8.210 nan 0.000 0.485 530 L N 8.443 129.467 121.223 -0.331 0.000 2.289 530 L HA 0.437 4.776 4.340 -0.001 0.000 0.285 530 L C -2.112 174.578 176.870 -0.300 0.000 1.049 530 L CA -1.786 52.760 54.840 -0.491 0.000 0.804 530 L CB 0.855 42.406 42.059 -0.847 0.000 1.195 530 L HN 0.271 nan 8.230 nan 0.000 0.428 531 P HA 0.014 nan 4.420 nan 0.000 0.267 531 P C -2.445 174.838 177.300 -0.028 0.000 1.201 531 P CA -0.698 62.364 63.100 -0.063 0.000 0.775 531 P CB -0.259 31.471 31.700 0.050 0.000 0.854 532 P HA -0.071 nan 4.420 nan 0.000 0.267 532 P C -0.227 177.054 177.300 -0.032 0.000 1.200 532 P CA 0.808 63.824 63.100 -0.139 0.000 0.772 532 P CB -0.183 31.445 31.700 -0.119 0.000 0.855 533 H N -0.942 118.166 119.070 0.063 0.000 2.677 533 H HA -0.213 4.342 4.556 -0.001 0.000 0.321 533 H C -0.069 175.312 175.328 0.088 0.000 1.171 533 H CA 0.048 56.133 56.048 0.063 0.000 1.139 533 H CB -2.129 27.660 29.762 0.044 0.000 1.515 533 H HN 0.393 nan 8.280 nan 0.000 0.423 534 F N 2.363 122.302 119.950 -0.019 0.000 2.571 534 F HA 0.143 4.670 4.527 -0.001 0.000 0.384 534 F C 0.574 176.368 175.800 -0.009 0.000 1.058 534 F CA -0.227 57.720 58.000 -0.088 0.000 1.200 534 F CB 0.501 39.329 39.000 -0.286 0.000 1.077 534 F HN 0.155 nan 8.300 nan 0.000 0.558 535 D N 6.101 126.158 120.400 -0.573 0.000 2.414 535 D HA 0.125 4.764 4.640 -0.001 0.000 0.232 535 D C 0.603 176.552 176.300 -0.586 0.000 1.070 535 D CA -0.523 53.242 54.000 -0.391 0.000 0.839 535 D CB 1.164 41.879 40.800 -0.142 0.000 1.079 535 D HN 0.714 nan 8.370 nan 0.000 0.521 536 K N 0.938 121.073 120.400 -0.442 0.000 2.439 536 K HA -0.077 4.243 4.320 -0.001 0.000 0.197 536 K C 1.189 177.815 176.600 0.043 0.000 1.041 536 K CA 0.759 56.944 56.287 -0.171 0.000 0.970 536 K CB -0.005 32.546 32.500 0.084 0.000 0.773 536 K HN 0.186 nan 8.250 nan 0.000 0.479 537 S N -0.142 115.542 115.700 -0.027 0.000 2.603 537 S HA 0.081 4.550 4.470 -0.001 0.000 0.220 537 S C 0.453 175.033 174.600 -0.034 0.000 0.967 537 S CA -0.312 57.884 58.200 -0.007 0.000 0.920 537 S CB -0.024 63.163 63.200 -0.023 0.000 0.773 537 S HN 0.189 nan 8.310 nan 0.000 0.529 538 K N 1.397 121.761 120.400 -0.060 0.000 2.156 538 K HA 0.376 4.695 4.320 -0.001 0.000 0.254 538 K C -0.783 175.761 176.600 -0.093 0.000 0.950 538 K CA -0.656 55.533 56.287 -0.163 0.000 0.849 538 K CB 0.940 33.229 32.500 -0.351 0.000 1.100 538 K HN 0.037 nan 8.250 nan 0.000 0.434 539 K N 3.128 123.425 120.400 -0.171 0.000 2.234 539 K HA 0.242 4.561 4.320 -0.001 0.000 0.277 539 K C -0.810 175.685 176.600 -0.175 0.000 1.038 539 K CA -0.338 55.916 56.287 -0.055 0.000 0.888 539 K CB 0.698 33.161 32.500 -0.062 0.000 1.091 539 K HN 0.447 nan 8.250 nan 0.000 0.467 540 Y N 3.013 123.332 120.300 0.033 0.000 2.387 540 Y HA 0.258 4.807 4.550 -0.001 0.000 0.336 540 Y C -1.752 174.084 175.900 -0.107 0.000 1.067 540 Y CA -2.385 55.711 58.100 -0.006 0.000 1.114 540 Y CB 1.261 39.787 38.460 0.110 0.000 1.208 540 Y HN 0.449 nan 8.280 nan 0.000 0.458 541 P HA 0.042 nan 4.420 nan 0.000 0.269 541 P C -0.996 176.156 177.300 -0.246 0.000 1.209 541 P CA 0.021 62.811 63.100 -0.516 0.000 0.776 541 P CB 1.280 32.254 31.700 -1.210 0.000 0.876 542 L N 3.118 124.246 121.223 -0.159 0.000 2.386 542 L HA 0.566 4.905 4.340 -0.001 0.000 0.271 542 L C -1.191 175.872 176.870 0.323 0.000 0.993 542 L CA -1.142 53.759 54.840 0.101 0.000 0.819 542 L CB 1.774 43.906 42.059 0.121 0.000 1.294 542 L HN 0.158 nan 8.230 nan 0.000 0.414 543 L N 5.251 126.680 121.223 0.344 0.000 2.305 543 L HA 0.524 4.863 4.340 -0.001 0.000 0.284 543 L C -1.338 175.773 176.870 0.403 0.000 1.013 543 L CA -0.350 54.745 54.840 0.426 0.000 0.819 543 L CB 1.604 43.872 42.059 0.349 0.000 1.227 543 L HN 0.645 nan 8.230 nan 0.000 0.417 544 L N 5.090 126.600 121.223 0.478 0.000 2.261 544 L HA 0.406 4.745 4.340 -0.001 0.000 0.289 544 L C -0.580 176.542 176.870 0.421 0.000 1.059 544 L CA 0.165 55.278 54.840 0.455 0.000 0.816 544 L CB 0.562 42.932 42.059 0.518 0.000 1.191 544 L HN 0.631 nan 8.230 nan 0.000 0.431 545 D N 4.283 124.903 120.400 0.367 0.000 2.339 545 D HA 0.216 4.855 4.640 -0.001 0.000 0.241 545 D C -0.992 175.392 176.300 0.139 0.000 1.183 545 D CA 0.093 54.218 54.000 0.208 0.000 0.859 545 D CB 1.295 42.282 40.800 0.311 0.000 1.067 545 D HN 0.316 nan 8.370 nan 0.000 0.484 546 V N 6.258 126.180 119.914 0.014 0.000 2.628 546 V HA 0.379 4.499 4.120 -0.001 0.000 0.306 546 V C -0.693 175.510 176.094 0.182 0.000 1.045 546 V CA -0.510 61.878 62.300 0.147 0.000 0.905 546 V CB 1.791 33.714 31.823 0.167 0.000 0.997 546 V HN 0.697 nan 8.190 nan 0.000 0.436 547 Y N 5.423 125.802 120.300 0.132 0.000 2.972 547 Y HA 0.442 4.991 4.550 -0.001 0.000 0.211 547 Y C 1.720 177.771 175.900 0.251 0.000 0.969 547 Y CA 0.383 58.590 58.100 0.178 0.000 1.574 547 Y CB 0.489 39.039 38.460 0.149 0.000 1.364 547 Y HN 0.829 nan 8.280 nan 0.000 0.467 548 A N 1.094 124.048 122.820 0.224 0.000 3.132 548 A HA -0.223 4.096 4.320 -0.001 0.000 0.266 548 A C 0.804 178.253 177.584 -0.225 0.000 1.216 548 A CA 0.884 52.963 52.037 0.070 0.000 0.985 548 A CB -2.611 16.545 19.000 0.260 0.000 1.102 548 A HN 0.819 nan 8.150 nan 0.000 0.833 549 G N -0.330 108.115 108.800 -0.592 0.000 2.614 549 G HA2 0.429 4.388 3.960 -0.001 0.000 0.239 549 G HA3 0.429 4.388 3.960 -0.001 0.000 0.239 549 G C -1.858 172.570 174.900 -0.788 0.000 1.240 549 G CA -0.326 44.028 45.100 -1.243 0.000 0.842 549 G HN 0.376 nan 8.290 nan 0.000 0.584 550 P HA -0.025 nan 4.420 nan 0.000 0.260 550 P C 0.794 177.829 177.300 -0.441 0.000 1.172 550 P CA 0.171 62.893 63.100 -0.630 0.000 0.760 550 P CB 0.571 31.477 31.700 -1.324 0.000 0.773 551 C N 2.257 121.377 119.300 -0.299 0.000 4.392 551 C HA -0.161 4.298 4.460 -0.001 0.000 0.280 551 C C 1.119 176.022 174.990 -0.144 0.000 1.381 551 C CA 1.223 60.054 59.018 -0.312 0.000 1.871 551 C CB -2.632 24.783 27.740 -0.542 0.000 1.323 551 C HN 0.813 nan 8.230 nan 0.000 0.772 552 S N 0.082 115.614 115.700 -0.281 0.000 2.593 552 S HA 0.498 4.968 4.470 -0.001 0.000 0.269 552 S C -0.565 174.030 174.600 -0.009 0.000 1.334 552 S CA 0.205 58.180 58.200 -0.374 0.000 1.015 552 S CB 1.560 64.081 63.200 -1.132 0.000 0.912 552 S HN 0.801 nan 8.310 nan 0.000 0.541 553 Q N 0.227 120.121 119.800 0.156 0.000 2.374 553 Q HA 0.335 4.674 4.340 -0.001 0.000 0.250 553 Q C -0.664 175.463 176.000 0.211 0.000 0.918 553 Q CA -0.589 55.349 55.803 0.225 0.000 0.778 553 Q CB 0.940 29.888 28.738 0.350 0.000 1.328 553 Q HN 0.702 nan 8.270 nan 0.000 0.445 554 K N 1.005 121.520 120.400 0.192 0.000 2.355 554 K HA 0.324 4.644 4.320 -0.001 0.000 0.198 554 K C -0.293 176.417 176.600 0.184 0.000 1.039 554 K CA 0.272 56.683 56.287 0.207 0.000 1.075 554 K CB 1.474 34.120 32.500 0.244 0.000 0.870 554 K HN 0.498 nan 8.250 nan 0.000 0.540 555 A N 2.921 125.851 122.820 0.184 0.000 2.273 555 A HA 0.429 4.748 4.320 -0.001 0.000 0.320 555 A C -0.791 176.862 177.584 0.115 0.000 1.358 555 A CA -0.447 51.699 52.037 0.181 0.000 0.910 555 A CB 0.122 19.287 19.000 0.274 0.000 1.159 555 A HN 0.258 nan 8.150 nan 0.000 0.526 556 D N -0.070 120.371 120.400 0.069 0.000 2.665 556 D HA 0.309 4.948 4.640 -0.001 0.000 0.287 556 D C 0.299 176.599 176.300 -0.000 0.000 1.266 556 D CA 0.234 54.258 54.000 0.040 0.000 0.830 556 D CB 0.207 41.037 40.800 0.050 0.000 1.356 556 D HN 0.193 nan 8.370 nan 0.000 0.437 557 T N -2.142 112.433 114.554 0.034 0.000 3.272 557 T HA 0.284 4.633 4.350 -0.001 0.000 0.250 557 T C 0.521 175.178 174.700 -0.072 0.000 1.082 557 T CA -0.320 61.796 62.100 0.026 0.000 0.968 557 T CB -0.746 68.189 68.868 0.112 0.000 1.015 557 T HN 0.291 nan 8.240 nan 0.000 0.563 558 V N 2.539 122.301 119.914 -0.253 0.000 2.555 558 V HA 0.308 4.427 4.120 -0.001 0.000 0.286 558 V C 0.163 176.196 176.094 -0.101 0.000 1.044 558 V CA -1.088 61.030 62.300 -0.304 0.000 1.026 558 V CB -0.074 31.443 31.823 -0.510 0.000 0.981 558 V HN 0.531 nan 8.190 nan 0.000 0.480 559 F N 6.513 126.370 119.950 -0.155 0.000 2.467 559 F HA 0.482 5.008 4.527 -0.001 0.000 0.362 559 F C 0.604 176.353 175.800 -0.085 0.000 1.090 559 F CA -0.045 57.891 58.000 -0.108 0.000 1.202 559 F CB 0.199 39.145 39.000 -0.090 0.000 1.113 559 F HN 0.438 nan 8.300 nan 0.000 0.541 560 R N 6.463 126.509 120.500 -0.757 0.000 2.686 560 R HA 0.529 4.868 4.340 -0.001 0.000 0.283 560 R C -1.562 174.317 176.300 -0.702 0.000 0.978 560 R CA -1.052 54.739 56.100 -0.515 0.000 0.897 560 R CB 2.010 32.161 30.300 -0.247 0.000 1.192 560 R HN 0.646 nan 8.270 nan 0.000 0.457 561 L N 4.249 125.253 121.223 -0.366 0.000 2.277 561 L HA 0.399 4.738 4.340 -0.001 0.000 0.284 561 L C -0.408 176.466 176.870 0.006 0.000 1.028 561 L CA -0.536 54.164 54.840 -0.234 0.000 0.835 561 L CB 0.384 42.448 42.059 0.008 0.000 1.215 561 L HN 0.765 nan 8.230 nan 0.000 0.425 562 N N 0.429 119.054 118.700 -0.125 0.000 3.479 562 N HA 0.167 4.906 4.740 -0.001 0.000 0.336 562 N C 0.167 175.327 175.510 -0.583 0.000 1.623 562 N CA -0.872 52.003 53.050 -0.291 0.000 0.759 562 N CB 0.104 38.526 38.487 -0.109 0.000 2.016 562 N HN 0.291 nan 8.380 nan 0.000 0.637 563 W N 0.635 121.335 121.300 -1.000 0.000 2.355 563 W HA 0.196 4.855 4.660 -0.002 0.000 0.309 563 W C 2.151 178.612 176.519 -0.096 0.000 1.206 563 W CA 2.905 59.905 57.345 -0.575 0.000 1.284 563 W CB -1.067 28.212 29.460 -0.302 0.000 1.145 563 W HN 0.702 nan 8.180 nan 0.000 0.502 564 A N -0.386 122.408 122.820 -0.043 0.000 1.948 564 A HA -0.250 4.069 4.320 -0.001 0.000 0.220 564 A C 1.936 179.408 177.584 -0.187 0.000 1.177 564 A CA 2.703 54.657 52.037 -0.137 0.000 0.636 564 A CB -1.330 17.675 19.000 0.008 0.000 0.815 564 A HN 0.322 nan 8.150 nan 0.000 0.449 565 T N -1.389 113.058 114.554 -0.178 0.000 2.684 565 T HA -0.210 4.139 4.350 -0.001 0.000 0.267 565 T C 1.784 176.457 174.700 -0.045 0.000 1.036 565 T CA 1.701 63.658 62.100 -0.238 0.000 1.148 565 T CB -0.509 68.043 68.868 -0.526 0.000 0.863 565 T HN 0.728 nan 8.240 nan 0.000 0.436 566 Y N 1.818 122.162 120.300 0.073 0.000 2.200 566 Y HA -0.028 4.521 4.550 -0.002 0.000 0.290 566 Y C 1.990 177.879 175.900 -0.019 0.000 1.137 566 Y CA 0.992 59.206 58.100 0.190 0.000 1.163 566 Y CB -0.533 38.050 38.460 0.206 0.000 0.988 566 Y HN 0.084 nan 8.280 nan 0.000 0.518 567 L N 0.551 121.313 121.223 -0.769 0.000 2.046 567 L HA -0.206 4.133 4.340 -0.001 0.000 0.208 567 L C 2.905 179.520 176.870 -0.424 0.000 1.077 567 L CA 1.280 55.616 54.840 -0.840 0.000 0.747 567 L CB -0.965 40.649 42.059 -0.742 0.000 0.896 567 L HN 0.426 nan 8.230 nan 0.000 0.432 568 A N -1.140 121.514 122.820 -0.276 0.000 1.872 568 A HA -0.192 4.127 4.320 -0.001 0.000 0.214 568 A C 2.534 180.056 177.584 -0.103 0.000 1.187 568 A CA 1.888 53.827 52.037 -0.164 0.000 0.614 568 A CB -0.688 18.213 19.000 -0.165 0.000 0.826 568 A HN 0.328 nan 8.150 nan 0.000 0.442 569 S N -1.234 114.420 115.700 -0.077 0.000 2.355 569 S HA -0.112 4.357 4.470 -0.001 0.000 0.222 569 S C 1.969 176.596 174.600 0.045 0.000 1.031 569 S CA 2.207 60.416 58.200 0.014 0.000 0.993 569 S CB -0.364 62.899 63.200 0.105 0.000 0.859 569 S HN 0.591 nan 8.310 nan 0.000 0.453 570 T N 0.893 115.454 114.554 0.012 0.000 3.031 570 T HA 0.207 4.556 4.350 -0.001 0.000 0.254 570 T C 1.272 175.960 174.700 -0.019 0.000 1.060 570 T CA 0.451 62.584 62.100 0.056 0.000 1.135 570 T CB 0.006 69.020 68.868 0.244 0.000 0.896 570 T HN 0.268 nan 8.240 nan 0.000 0.472 571 E N 1.073 121.178 120.200 -0.158 0.000 2.498 571 E HA 0.204 4.553 4.350 -0.001 0.000 0.203 571 E C 0.032 176.622 176.600 -0.017 0.000 1.013 571 E CA -0.102 56.234 56.400 -0.107 0.000 0.927 571 E CB -0.143 29.416 29.700 -0.236 0.000 1.012 571 E HN 0.500 nan 8.360 nan 0.000 0.482 572 N N 0.667 119.372 118.700 0.009 0.000 2.721 572 N HA -0.200 4.539 4.740 -0.001 0.000 0.249 572 N C -0.744 174.868 175.510 0.170 0.000 1.072 572 N CA 0.284 53.410 53.050 0.126 0.000 0.710 572 N CB -1.250 37.348 38.487 0.184 0.000 0.993 572 N HN 0.204 nan 8.380 nan 0.000 0.547 573 I N 0.977 121.571 120.570 0.042 0.000 2.353 573 I HA 0.284 4.453 4.170 -0.001 0.000 0.293 573 I C 0.694 176.807 176.117 -0.007 0.000 0.992 573 I CA -0.749 60.577 61.300 0.044 0.000 1.268 573 I CB 1.020 39.053 38.000 0.056 0.000 1.387 573 I HN 0.037 nan 8.210 nan 0.000 0.478 574 I N 6.750 127.327 120.570 0.012 0.000 2.533 574 I HA 0.091 4.261 4.170 -0.001 0.000 0.284 574 I C 0.064 176.183 176.117 0.003 0.000 1.109 574 I CA -0.087 61.181 61.300 -0.053 0.000 1.412 574 I CB 1.017 38.994 38.000 -0.039 0.000 1.396 574 I HN 0.318 nan 8.210 nan 0.000 0.543 575 V N 7.094 126.993 119.914 -0.026 0.000 2.334 575 V HA 0.812 4.931 4.120 -0.001 0.000 0.281 575 V C 0.002 176.135 176.094 0.064 0.000 1.016 575 V CA -0.179 62.156 62.300 0.057 0.000 0.832 575 V CB 1.103 32.969 31.823 0.071 0.000 0.999 575 V HN 0.789 nan 8.190 nan 0.000 0.439 576 A N 4.997 127.889 122.820 0.120 0.000 2.325 576 A HA 0.929 5.248 4.320 -0.001 0.000 0.333 576 A C 0.012 177.769 177.584 0.288 0.000 1.155 576 A CA -0.522 51.586 52.037 0.118 0.000 0.814 576 A CB 1.700 20.646 19.000 -0.090 0.000 1.206 576 A HN 1.012 nan 8.150 nan 0.000 0.482 577 S N 0.031 115.937 115.700 0.343 0.000 2.542 577 S HA 0.764 5.234 4.470 -0.001 0.000 0.293 577 S C -1.394 173.559 174.600 0.589 0.000 1.089 577 S CA -0.292 58.155 58.200 0.412 0.000 0.961 577 S CB 1.284 64.665 63.200 0.301 0.000 1.062 577 S HN 0.693 nan 8.310 nan 0.000 0.483 578 F N 1.771 121.958 119.950 0.394 0.000 2.561 578 F HA 0.457 4.983 4.527 -0.001 0.000 0.313 578 F C -1.488 174.507 175.800 0.325 0.000 1.126 578 F CA -0.809 57.444 58.000 0.422 0.000 0.918 578 F CB 1.528 40.748 39.000 0.368 0.000 1.199 578 F HN 0.387 nan 8.300 nan 0.000 0.444 579 D N 4.652 124.789 120.400 -0.437 0.000 2.473 579 D HA 0.349 4.988 4.640 -0.001 0.000 0.226 579 D C 0.416 176.470 176.300 -0.409 0.000 1.089 579 D CA 0.136 53.992 54.000 -0.239 0.000 0.883 579 D CB 1.373 42.189 40.800 0.027 0.000 1.029 579 D HN 0.755 nan 8.370 nan 0.000 0.517 580 G N 1.210 109.865 108.800 -0.241 0.000 2.630 580 G HA2 0.267 4.227 3.960 -0.001 0.000 0.223 580 G HA3 0.267 4.227 3.960 -0.001 0.000 0.223 580 G C 0.193 175.130 174.900 0.061 0.000 1.434 580 G CA -0.687 44.317 45.100 -0.160 0.000 1.057 580 G HN 0.282 nan 8.290 nan 0.000 0.570 581 R N -0.724 119.785 120.500 0.015 0.000 2.623 581 R HA 0.378 4.717 4.340 -0.001 0.000 0.271 581 R C 1.243 177.620 176.300 0.128 0.000 1.043 581 R CA 1.417 57.606 56.100 0.148 0.000 1.083 581 R CB 0.546 30.910 30.300 0.107 0.000 0.974 581 R HN 1.016 nan 8.270 nan 0.000 0.436 582 G N 1.105 109.970 108.800 0.108 0.000 2.284 582 G HA2 -0.337 3.622 3.960 -0.001 0.000 0.230 582 G HA3 -0.337 3.622 3.960 -0.001 0.000 0.230 582 G C 0.184 175.061 174.900 -0.038 0.000 1.021 582 G CA 0.150 45.276 45.100 0.043 0.000 0.619 582 G HN 0.737 nan 8.290 nan 0.000 0.510 583 S N 0.567 116.260 115.700 -0.012 0.000 2.589 583 S HA 0.625 5.094 4.470 -0.001 0.000 0.265 583 S C 0.843 175.393 174.600 -0.084 0.000 1.342 583 S CA 0.615 58.786 58.200 -0.048 0.000 1.005 583 S CB 1.645 64.860 63.200 0.025 0.000 0.909 583 S HN 1.731 nan 8.310 nan 0.000 0.555 584 G N -0.844 107.873 108.800 -0.138 0.000 2.521 584 G HA2 0.516 4.475 3.960 -0.001 0.000 0.323 584 G HA3 0.516 4.475 3.960 -0.001 0.000 0.323 584 G C -0.841 173.918 174.900 -0.235 0.000 1.211 584 G CA -1.035 43.820 45.100 -0.409 0.000 0.979 584 G HN 1.062 nan 8.290 nan 0.000 0.490 585 Y N -2.462 117.832 120.300 -0.010 0.000 4.841 585 Y HA -0.238 4.311 4.550 -0.001 0.000 0.242 585 Y C 1.456 177.366 175.900 0.017 0.000 1.002 585 Y CA 1.062 59.167 58.100 0.010 0.000 2.011 585 Y CB -1.837 36.644 38.460 0.035 0.000 1.554 585 Y HN 0.521 nan 8.280 nan 0.000 0.618 586 Q N 0.244 120.070 119.800 0.043 0.000 2.118 586 Q HA 0.490 4.829 4.340 -0.001 0.000 0.219 586 Q C 0.940 176.897 176.000 -0.071 0.000 0.794 586 Q CA 0.226 56.074 55.803 0.074 0.000 1.035 586 Q CB 1.815 30.577 28.738 0.041 0.000 1.177 586 Q HN 0.550 nan 8.270 nan 0.000 0.478 587 G N 0.828 109.467 108.800 -0.267 0.000 2.699 587 G HA2 -0.190 3.769 3.960 -0.001 0.000 0.686 587 G HA3 -0.190 3.769 3.960 -0.001 0.000 0.686 587 G C -0.507 174.042 174.900 -0.585 0.000 1.301 587 G CA -0.487 44.197 45.100 -0.694 0.000 0.816 587 G HN 0.111 nan 8.290 nan 0.000 0.595 588 D N -0.077 119.915 120.400 -0.681 0.000 2.224 588 D HA -0.029 4.610 4.640 -0.001 0.000 0.205 588 D C 2.264 178.260 176.300 -0.507 0.000 0.965 588 D CA 1.360 54.892 54.000 -0.781 0.000 0.852 588 D CB 0.047 40.343 40.800 -0.841 0.000 0.947 588 D HN 0.503 nan 8.370 nan 0.000 0.494 589 K N 0.898 121.062 120.400 -0.394 0.000 2.063 589 K HA -0.085 4.234 4.320 -0.001 0.000 0.208 589 K C 1.873 178.390 176.600 -0.138 0.000 1.048 589 K CA 1.042 57.194 56.287 -0.226 0.000 0.928 589 K CB -0.351 32.021 32.500 -0.213 0.000 0.713 589 K HN 0.136 nan 8.250 nan 0.000 0.442 590 I N -0.300 120.177 120.570 -0.155 0.000 2.277 590 I HA -0.133 4.036 4.170 -0.001 0.000 0.243 590 I C 2.556 178.661 176.117 -0.020 0.000 1.094 590 I CA 1.018 62.302 61.300 -0.027 0.000 1.393 590 I CB -0.136 37.861 38.000 -0.004 0.000 1.078 590 I HN 0.261 nan 8.210 nan 0.000 0.417 591 M N -0.027 119.486 119.600 -0.145 0.000 2.132 591 M HA -0.205 4.274 4.480 -0.001 0.000 0.263 591 M C 1.957 178.304 176.300 0.079 0.000 1.065 591 M CA 1.797 57.036 55.300 -0.101 0.000 1.122 591 M CB -0.170 32.259 32.600 -0.286 0.000 1.365 591 M HN 0.242 nan 8.290 nan 0.000 0.411 592 H N -0.297 118.673 119.070 -0.166 0.000 2.547 592 H HA 0.255 4.810 4.556 -0.001 0.000 0.266 592 H C 1.849 177.199 175.328 0.036 0.000 0.988 592 H CA 0.685 56.644 56.048 -0.148 0.000 1.147 592 H CB -0.492 29.090 29.762 -0.299 0.000 1.365 592 H HN 0.463 nan 8.280 nan 0.000 0.589 593 A N 1.192 124.116 122.820 0.174 0.000 1.978 593 A HA -0.122 4.198 4.320 -0.001 0.000 0.220 593 A C 2.112 179.897 177.584 0.336 0.000 1.170 593 A CA 1.479 53.632 52.037 0.192 0.000 0.636 593 A CB -0.733 18.343 19.000 0.126 0.000 0.810 593 A HN 0.538 nan 8.150 nan 0.000 0.448 594 I N -3.436 117.306 120.570 0.286 0.000 3.883 594 I HA 0.150 4.320 4.170 -0.001 0.000 0.326 594 I C 0.454 176.653 176.117 0.136 0.000 1.283 594 I CA -0.433 60.995 61.300 0.214 0.000 1.161 594 I CB -0.538 37.554 38.000 0.155 0.000 1.012 594 I HN 0.211 nan 8.210 nan 0.000 0.421 595 N N 3.170 122.001 118.700 0.219 0.000 2.217 595 N HA -0.133 4.606 4.740 -0.001 0.000 0.268 595 N C 0.196 175.727 175.510 0.036 0.000 1.290 595 N CA 0.515 53.683 53.050 0.195 0.000 0.831 595 N CB 0.275 38.845 38.487 0.137 0.000 1.057 595 N HN 0.430 nan 8.380 nan 0.000 0.481 596 R N 0.655 121.148 120.500 -0.012 0.000 3.994 596 R HA -0.160 4.179 4.340 -0.001 0.000 0.403 596 R C -0.304 175.829 176.300 -0.278 0.000 1.126 596 R CA 0.925 56.967 56.100 -0.096 0.000 1.143 596 R CB -0.764 29.501 30.300 -0.058 0.000 1.695 596 R HN 0.662 nan 8.270 nan 0.000 0.555 597 R N 0.356 120.680 120.500 -0.294 0.000 2.648 597 R HA 0.197 4.536 4.340 -0.001 0.000 0.341 597 R C -0.754 175.485 176.300 -0.102 0.000 1.154 597 R CA -0.616 55.149 56.100 -0.559 0.000 1.228 597 R CB 0.456 30.478 30.300 -0.463 0.000 1.311 597 R HN -0.110 nan 8.270 nan 0.000 0.659 598 L N 0.359 121.626 121.223 0.073 0.000 2.483 598 L HA 0.226 4.566 4.340 -0.001 0.000 0.276 598 L C 1.503 178.652 176.870 0.465 0.000 1.213 598 L CA 1.459 56.404 54.840 0.173 0.000 0.843 598 L CB 0.382 42.297 42.059 -0.240 0.000 1.107 598 L HN 0.761 nan 8.230 nan 0.000 0.487 599 G N 1.026 110.155 108.800 0.549 0.000 2.198 599 G HA2 -0.300 3.659 3.960 -0.001 0.000 0.257 599 G HA3 -0.300 3.659 3.960 -0.001 0.000 0.257 599 G C 0.544 175.558 174.900 0.189 0.000 1.042 599 G CA 0.965 46.318 45.100 0.423 0.000 0.791 599 G HN 0.946 nan 8.290 nan 0.000 0.502 600 T N -3.992 110.629 114.554 0.112 0.000 3.257 600 T HA 0.460 4.809 4.350 -0.001 0.000 0.176 600 T C 1.622 176.318 174.700 -0.007 0.000 0.892 600 T CA 0.875 62.930 62.100 -0.075 0.000 1.147 600 T CB 0.032 68.662 68.868 -0.397 0.000 1.840 600 T HN 0.138 nan 8.240 nan 0.000 0.375 601 F N 3.442 123.445 119.950 0.088 0.000 2.171 601 F HA 0.104 4.630 4.527 -0.001 0.000 0.300 601 F C 2.773 178.611 175.800 0.063 0.000 1.090 601 F CA 1.206 59.240 58.000 0.058 0.000 1.293 601 F CB -0.602 38.426 39.000 0.047 0.000 1.013 601 F HN 0.529 nan 8.300 nan 0.000 0.486 602 E N 0.567 120.933 120.200 0.275 0.000 2.274 602 E HA -0.089 4.261 4.350 -0.001 0.000 0.194 602 E C 2.057 178.779 176.600 0.203 0.000 0.996 602 E CA 1.110 57.645 56.400 0.225 0.000 0.840 602 E CB -0.935 28.903 29.700 0.230 0.000 0.772 602 E HN 0.289 nan 8.360 nan 0.000 0.491 603 V N 1.825 121.839 119.914 0.167 0.000 2.323 603 V HA -0.206 3.914 4.120 -0.001 0.000 0.244 603 V C 2.302 178.442 176.094 0.077 0.000 1.041 603 V CA 2.100 64.453 62.300 0.087 0.000 1.025 603 V CB -0.570 31.260 31.823 0.012 0.000 0.656 603 V HN 0.219 nan 8.190 nan 0.000 0.451 604 E N 0.213 120.472 120.200 0.098 0.000 2.118 604 E HA -0.247 4.102 4.350 -0.001 0.000 0.195 604 E C 1.861 178.489 176.600 0.046 0.000 0.992 604 E CA 1.534 57.983 56.400 0.081 0.000 0.804 604 E CB -0.212 29.568 29.700 0.133 0.000 0.741 604 E HN 0.580 nan 8.360 nan 0.000 0.458 605 D N 0.360 120.803 120.400 0.072 0.000 2.183 605 D HA -0.113 4.526 4.640 -0.001 0.000 0.203 605 D C 1.977 178.264 176.300 -0.022 0.000 0.969 605 D CA 0.697 54.712 54.000 0.026 0.000 0.842 605 D CB -0.079 40.777 40.800 0.094 0.000 0.957 605 D HN 0.103 nan 8.370 nan 0.000 0.484 606 Q N 0.160 120.016 119.800 0.093 0.000 2.119 606 Q HA -0.024 4.315 4.340 -0.001 0.000 0.201 606 Q C 2.534 178.573 176.000 0.066 0.000 0.972 606 Q CA 0.519 56.385 55.803 0.104 0.000 0.847 606 Q CB -0.046 28.792 28.738 0.166 0.000 0.903 606 Q HN 0.426 nan 8.270 nan 0.000 0.433 607 I N 0.676 121.298 120.570 0.088 0.000 2.179 607 I HA -0.259 3.911 4.170 -0.001 0.000 0.242 607 I C 2.417 178.477 176.117 -0.094 0.000 1.088 607 I CA 1.260 62.638 61.300 0.131 0.000 1.357 607 I CB -0.265 37.804 38.000 0.115 0.000 1.051 607 I HN 0.146 nan 8.210 nan 0.000 0.409 608 E N 1.568 121.661 120.200 -0.178 0.000 2.110 608 E HA -0.200 4.150 4.350 -0.001 0.000 0.193 608 E C 2.093 178.378 176.600 -0.525 0.000 0.988 608 E CA 1.670 57.898 56.400 -0.285 0.000 0.804 608 E CB -0.193 29.365 29.700 -0.236 0.000 0.745 608 E HN 0.409 nan 8.360 nan 0.000 0.458 609 A N 0.907 123.247 122.820 -0.799 0.000 1.883 609 A HA -0.120 4.199 4.320 -0.001 0.000 0.217 609 A C 2.488 179.262 177.584 -1.350 0.000 1.186 609 A CA 2.409 53.615 52.037 -1.384 0.000 0.624 609 A CB -1.195 16.762 19.000 -1.739 0.000 0.822 609 A HN 0.405 nan 8.150 nan 0.000 0.444 610 A N -0.338 122.082 122.820 -0.666 0.000 1.933 610 A HA -0.182 4.137 4.320 -0.001 0.000 0.218 610 A C 2.236 179.592 177.584 -0.380 0.000 1.175 610 A CA 1.551 53.364 52.037 -0.373 0.000 0.628 610 A CB -0.493 18.353 19.000 -0.257 0.000 0.814 610 A HN 0.571 nan 8.150 nan 0.000 0.444 611 R N -0.714 119.562 120.500 -0.373 0.000 2.081 611 R HA -0.133 4.206 4.340 -0.001 0.000 0.235 611 R C 2.319 178.438 176.300 -0.302 0.000 1.131 611 R CA 1.441 57.366 56.100 -0.291 0.000 0.960 611 R CB -0.300 29.860 30.300 -0.232 0.000 0.856 611 R HN 0.583 nan 8.270 nan 0.000 0.436 612 Q N -0.214 119.325 119.800 -0.435 0.000 2.119 612 Q HA -0.097 4.243 4.340 -0.001 0.000 0.201 612 Q C 1.991 177.822 176.000 -0.281 0.000 0.972 612 Q CA 1.220 56.790 55.803 -0.389 0.000 0.847 612 Q CB -0.119 28.325 28.738 -0.491 0.000 0.903 612 Q HN 0.301 nan 8.270 nan 0.000 0.433 613 F N 1.416 121.187 119.950 -0.298 0.000 2.234 613 F HA -0.104 4.422 4.527 -0.001 0.000 0.299 613 F C 2.587 178.199 175.800 -0.313 0.000 1.087 613 F CA 1.042 58.859 58.000 -0.306 0.000 1.340 613 F CB -1.162 37.705 39.000 -0.221 0.000 1.031 613 F HN 0.020 nan 8.300 nan 0.000 0.500 614 S N 0.043 115.685 115.700 -0.098 0.000 2.383 614 S HA -0.159 4.310 4.470 -0.001 0.000 0.227 614 S C 1.679 176.177 174.600 -0.170 0.000 1.026 614 S CA 0.800 58.914 58.200 -0.143 0.000 0.981 614 S CB -0.531 62.584 63.200 -0.141 0.000 0.818 614 S HN 0.370 nan 8.310 nan 0.000 0.472 615 K N 0.638 120.939 120.400 -0.166 0.000 2.574 615 K HA 0.198 4.518 4.320 -0.001 0.000 0.193 615 K C 1.405 177.898 176.600 -0.177 0.000 1.035 615 K CA 0.430 56.627 56.287 -0.150 0.000 0.982 615 K CB -0.285 32.137 32.500 -0.130 0.000 0.795 615 K HN 0.472 nan 8.250 nan 0.000 0.491 616 M N -1.000 118.432 119.600 -0.281 0.000 2.541 616 M HA 0.014 4.493 4.480 -0.001 0.000 0.252 616 M C 1.208 177.211 176.300 -0.495 0.000 1.125 616 M CA 0.743 55.792 55.300 -0.419 0.000 1.091 616 M CB 0.511 32.722 32.600 -0.648 0.000 1.420 616 M HN 0.436 nan 8.290 nan 0.000 0.486 617 G N 0.892 109.463 108.800 -0.381 0.000 2.241 617 G HA2 -0.302 3.658 3.960 -0.001 0.000 0.244 617 G HA3 -0.302 3.658 3.960 -0.001 0.000 0.244 617 G C 0.498 175.363 174.900 -0.059 0.000 0.998 617 G CA 0.370 45.370 45.100 -0.167 0.000 0.621 617 G HN 0.606 nan 8.290 nan 0.000 0.519 618 F N 0.415 120.425 119.950 0.100 0.000 2.639 618 F HA 0.764 5.290 4.527 -0.001 0.000 0.302 618 F C 0.216 176.137 175.800 0.202 0.000 1.097 618 F CA -0.885 57.214 58.000 0.164 0.000 1.294 618 F CB 0.358 39.518 39.000 0.267 0.000 1.027 618 F HN 0.069 nan 8.300 nan 0.000 0.550 619 V N 1.415 121.346 119.914 0.029 0.000 2.435 619 V HA 0.192 4.311 4.120 -0.001 0.000 0.290 619 V C -0.647 175.446 176.094 -0.002 0.000 1.030 619 V CA -0.779 61.556 62.300 0.059 0.000 0.881 619 V CB 1.530 33.326 31.823 -0.044 0.000 0.983 619 V HN 0.083 nan 8.190 nan 0.000 0.445 620 D N 3.483 123.876 120.400 -0.011 0.000 2.352 620 D HA 0.053 4.692 4.640 -0.001 0.000 0.245 620 D C 1.136 177.389 176.300 -0.078 0.000 1.224 620 D CA -0.186 53.775 54.000 -0.065 0.000 0.879 620 D CB 0.774 41.509 40.800 -0.108 0.000 1.057 620 D HN 0.693 nan 8.370 nan 0.000 0.491 621 N N 3.445 122.100 118.700 -0.075 0.000 2.512 621 N HA -0.148 4.591 4.740 -0.001 0.000 0.183 621 N C 0.858 176.327 175.510 -0.069 0.000 1.073 621 N CA 0.930 53.929 53.050 -0.085 0.000 0.911 621 N CB -0.005 38.427 38.487 -0.092 0.000 0.964 621 N HN 0.284 nan 8.380 nan 0.000 0.447 622 K N -0.431 119.936 120.400 -0.055 0.000 2.432 622 K HA 0.119 4.439 4.320 -0.001 0.000 0.196 622 K C 0.138 176.738 176.600 0.000 0.000 1.038 622 K CA 0.430 56.701 56.287 -0.027 0.000 0.986 622 K CB 0.215 32.699 32.500 -0.026 0.000 0.782 622 K HN 0.232 nan 8.250 nan 0.000 0.485 623 R N 1.159 121.632 120.500 -0.045 0.000 2.681 623 R HA 0.339 4.678 4.340 -0.001 0.000 0.277 623 R C -0.997 175.283 176.300 -0.034 0.000 1.563 623 R CA -0.139 55.930 56.100 -0.051 0.000 1.673 623 R CB 0.609 30.692 30.300 -0.362 0.000 1.258 623 R HN -0.009 nan 8.270 nan 0.000 0.650 624 I N 1.128 121.784 120.570 0.143 0.000 2.378 624 I HA 0.570 4.740 4.170 -0.001 0.000 0.291 624 I C 0.084 176.487 176.117 0.475 0.000 0.992 624 I CA -0.730 60.695 61.300 0.210 0.000 1.154 624 I CB 1.882 39.839 38.000 -0.071 0.000 1.315 624 I HN 0.299 nan 8.210 nan 0.000 0.448 625 A N 7.035 130.237 122.820 0.638 0.000 2.387 625 A HA 0.922 5.241 4.320 -0.001 0.000 0.303 625 A C -1.123 176.823 177.584 0.602 0.000 1.145 625 A CA -0.652 51.739 52.037 0.590 0.000 0.801 625 A CB 2.009 21.223 19.000 0.356 0.000 1.342 625 A HN 0.733 nan 8.150 nan 0.000 0.440 626 I N 0.675 121.504 120.570 0.431 0.000 2.722 626 I HA 0.717 4.886 4.170 -0.001 0.000 0.295 626 I C -1.865 174.503 176.117 0.418 0.000 1.161 626 I CA -0.533 60.950 61.300 0.304 0.000 1.032 626 I CB 1.636 39.516 38.000 -0.200 0.000 1.244 626 I HN 0.927 nan 8.210 nan 0.000 0.421 627 W N 7.046 128.471 121.300 0.207 0.000 3.137 627 W HA 0.836 5.496 4.660 -0.000 0.000 0.324 627 W C -1.532 175.126 176.519 0.232 0.000 1.253 627 W CA -0.930 56.545 57.345 0.217 0.000 1.183 627 W CB 1.072 30.710 29.460 0.298 0.000 1.424 627 W HN 0.835 nan 8.180 nan 0.000 0.566 628 G N 0.819 109.551 108.800 -0.114 0.000 2.547 628 G HA2 0.430 4.389 3.960 -0.001 0.000 0.291 628 G HA3 0.430 4.389 3.960 -0.001 0.000 0.291 628 G C -2.713 172.095 174.900 -0.154 0.000 1.471 628 G CA -0.782 44.070 45.100 -0.414 0.000 0.798 628 G HN 0.593 nan 8.290 nan 0.000 0.504 629 W N 1.093 122.192 121.300 -0.334 0.000 2.627 629 W HA 0.559 5.219 4.660 -0.001 0.000 0.339 629 W C 0.879 177.325 176.519 -0.122 0.000 1.058 629 W CA 0.616 57.846 57.345 -0.191 0.000 1.223 629 W CB 1.562 30.896 29.460 -0.210 0.000 1.389 629 W HN 1.117 nan 8.180 nan 0.000 0.541 630 S N 1.822 117.678 115.700 0.260 0.000 4.140 630 S HA -0.429 4.040 4.470 -0.001 0.000 0.618 630 S C 0.849 175.548 174.600 0.165 0.000 1.896 630 S CA 1.529 59.890 58.200 0.268 0.000 4.240 630 S CB -1.557 61.862 63.200 0.365 0.000 0.208 630 S HN 0.747 nan 8.310 nan 0.000 0.487 631 Y N 2.961 123.337 120.300 0.126 0.000 2.207 631 Y HA -0.038 4.512 4.550 -0.001 0.000 0.287 631 Y C 2.532 178.626 175.900 0.324 0.000 1.156 631 Y CA 2.192 60.471 58.100 0.298 0.000 1.182 631 Y CB -0.941 37.816 38.460 0.495 0.000 0.979 631 Y HN 0.582 nan 8.280 nan 0.000 0.521 632 G N -1.015 108.038 108.800 0.421 0.000 2.448 632 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.219 632 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.219 632 G C 1.819 176.797 174.900 0.130 0.000 1.127 632 G CA 0.765 46.024 45.100 0.265 0.000 0.766 632 G HN 0.574 nan 8.290 nan 0.000 0.552 633 G N -0.225 108.632 108.800 0.096 0.000 2.394 633 G HA2 -0.187 3.773 3.960 -0.001 0.000 0.215 633 G HA3 -0.187 3.773 3.960 -0.001 0.000 0.215 633 G C 1.524 176.463 174.900 0.063 0.000 1.165 633 G CA 0.892 46.021 45.100 0.048 0.000 0.784 633 G HN 0.451 nan 8.290 nan 0.000 0.535 634 Y N 1.066 121.303 120.300 -0.105 0.000 2.081 634 Y HA -0.208 4.342 4.550 -0.001 0.000 0.280 634 Y C 2.812 178.656 175.900 -0.092 0.000 1.163 634 Y CA 1.977 59.963 58.100 -0.190 0.000 1.135 634 Y CB -0.159 38.041 38.460 -0.434 0.000 0.970 634 Y HN 0.041 nan 8.280 nan 0.000 0.498 635 V N -0.450 119.390 119.914 -0.123 0.000 2.379 635 V HA -0.279 3.841 4.120 -0.001 0.000 0.245 635 V C 2.259 178.270 176.094 -0.140 0.000 1.044 635 V CA 2.246 64.463 62.300 -0.138 0.000 1.036 635 V CB -0.991 30.933 31.823 0.168 0.000 0.664 635 V HN 0.496 nan 8.190 nan 0.000 0.453 636 T N 0.143 114.666 114.554 -0.052 0.000 2.665 636 T HA -0.214 4.135 4.350 -0.001 0.000 0.268 636 T C 2.143 176.787 174.700 -0.093 0.000 1.035 636 T CA 2.129 64.196 62.100 -0.055 0.000 1.151 636 T CB -0.292 68.623 68.868 0.078 0.000 0.862 636 T HN 0.526 nan 8.240 nan 0.000 0.438 637 S N 1.112 116.795 115.700 -0.028 0.000 2.368 637 S HA -0.027 4.442 4.470 -0.001 0.000 0.225 637 S C 2.147 176.651 174.600 -0.160 0.000 1.030 637 S CA 0.970 59.178 58.200 0.013 0.000 0.999 637 S CB -0.296 62.968 63.200 0.107 0.000 0.844 637 S HN 0.327 nan 8.310 nan 0.000 0.459 638 M N 0.900 120.324 119.600 -0.293 0.000 2.159 638 M HA -0.019 4.460 4.480 -0.001 0.000 0.263 638 M C 2.199 178.330 176.300 -0.282 0.000 1.063 638 M CA 1.032 56.136 55.300 -0.327 0.000 1.110 638 M CB -1.369 30.933 32.600 -0.497 0.000 1.374 638 M HN 0.181 nan 8.290 nan 0.000 0.411 639 V N 0.626 120.368 119.914 -0.287 0.000 2.307 639 V HA -0.221 3.898 4.120 -0.001 0.000 0.245 639 V C 2.492 178.378 176.094 -0.347 0.000 1.045 639 V CA 1.316 63.444 62.300 -0.287 0.000 1.024 639 V CB -0.562 31.021 31.823 -0.399 0.000 0.651 639 V HN 0.394 nan 8.190 nan 0.000 0.449 640 L N 0.402 121.343 121.223 -0.471 0.000 2.141 640 L HA -0.038 4.301 4.340 -0.001 0.000 0.209 640 L C 2.213 178.513 176.870 -0.951 0.000 1.094 640 L CA 1.499 55.964 54.840 -0.625 0.000 0.763 640 L CB -0.743 40.909 42.059 -0.678 0.000 0.908 640 L HN 0.477 nan 8.230 nan 0.000 0.437 641 G N -1.267 106.932 108.800 -1.003 0.000 3.233 641 G HA2 -0.032 3.927 3.960 -0.001 0.000 0.227 641 G HA3 -0.032 3.927 3.960 -0.001 0.000 0.227 641 G C 1.456 176.174 174.900 -0.303 0.000 1.175 641 G CA 0.580 45.232 45.100 -0.747 0.000 0.781 641 G HN 0.430 nan 8.290 nan 0.000 0.542 642 S N -0.837 114.711 115.700 -0.253 0.000 2.478 642 S HA 0.310 4.779 4.470 -0.001 0.000 0.222 642 S C 1.910 176.462 174.600 -0.081 0.000 1.008 642 S CA 1.012 59.136 58.200 -0.126 0.000 0.928 642 S CB -0.052 63.093 63.200 -0.091 0.000 0.781 642 S HN 1.338 nan 8.310 nan 0.000 0.518 643 G N 1.541 110.286 108.800 -0.092 0.000 2.160 643 G HA2 -0.337 3.623 3.960 -0.001 0.000 0.251 643 G HA3 -0.337 3.623 3.960 -0.001 0.000 0.251 643 G C 0.949 175.837 174.900 -0.020 0.000 1.008 643 G CA 0.934 46.004 45.100 -0.049 0.000 0.724 643 G HN 1.242 nan 8.290 nan 0.000 0.514 644 S N -0.937 114.762 115.700 -0.001 0.000 2.383 644 S HA 0.282 4.752 4.470 -0.001 0.000 0.227 644 S C 2.561 177.163 174.600 0.003 0.000 1.026 644 S CA 1.739 59.947 58.200 0.014 0.000 0.981 644 S CB -0.256 62.979 63.200 0.057 0.000 0.818 644 S HN 2.425 nan 8.310 nan 0.000 0.472 645 G N -0.138 108.673 108.800 0.018 0.000 2.176 645 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.253 645 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.253 645 G C 0.729 175.616 174.900 -0.022 0.000 0.979 645 G CA 0.333 45.436 45.100 0.004 0.000 0.641 645 G HN 0.680 nan 8.290 nan 0.000 0.530 646 V N -0.440 119.444 119.914 -0.050 0.000 2.488 646 V HA 0.268 4.387 4.120 -0.001 0.000 0.246 646 V C 1.168 177.039 176.094 -0.372 0.000 1.046 646 V CA 1.471 63.604 62.300 -0.279 0.000 1.053 646 V CB -0.357 31.180 31.823 -0.478 0.000 0.679 646 V HN 0.301 nan 8.190 nan 0.000 0.458 647 F N -0.048 119.916 119.950 0.023 0.000 2.436 647 F HA 0.409 4.936 4.527 -0.002 0.000 0.340 647 F C 1.099 176.944 175.800 0.075 0.000 1.113 647 F CA -0.638 57.404 58.000 0.069 0.000 1.022 647 F CB 1.390 40.434 39.000 0.074 0.000 1.128 647 F HN -0.252 nan 8.300 nan 0.000 0.466 648 K N 1.661 122.221 120.400 0.267 0.000 2.103 648 K HA 0.044 4.363 4.320 -0.001 0.000 0.204 648 K C 0.021 176.751 176.600 0.217 0.000 1.052 648 K CA 1.106 57.514 56.287 0.201 0.000 0.945 648 K CB 0.210 32.828 32.500 0.197 0.000 0.722 648 K HN 0.825 nan 8.250 nan 0.000 0.443 649 c N -3.627 115.142 118.600 0.281 0.000 3.295 649 c HA 0.880 5.450 4.570 -0.001 0.000 0.341 649 c C -0.260 174.056 174.090 0.376 0.000 1.418 649 c CA -0.466 56.046 56.329 0.305 0.000 1.240 649 c CB 1.109 43.706 42.510 0.145 0.000 1.562 649 c HN 0.389 nan 8.230 nan 0.000 0.457 650 G N -0.238 108.869 108.800 0.512 0.000 2.451 650 G HA2 0.674 4.633 3.960 -0.001 0.000 0.292 650 G HA3 0.674 4.633 3.960 -0.001 0.000 0.292 650 G C -2.174 172.973 174.900 0.411 0.000 1.427 650 G CA -0.650 44.725 45.100 0.458 0.000 0.792 650 G HN 1.144 nan 8.290 nan 0.000 0.498 651 I N 0.627 121.389 120.570 0.319 0.000 2.478 651 I HA 0.591 4.760 4.170 -0.001 0.000 0.287 651 I C 0.189 176.416 176.117 0.182 0.000 1.042 651 I CA -0.944 60.412 61.300 0.092 0.000 1.067 651 I CB 2.157 40.197 38.000 0.067 0.000 1.233 651 I HN 0.699 nan 8.210 nan 0.000 0.431 652 A N 6.569 129.399 122.820 0.018 0.000 2.260 652 A HA 0.756 5.075 4.320 -0.001 0.000 0.314 652 A C -0.535 176.939 177.584 -0.183 0.000 1.257 652 A CA -0.483 51.565 52.037 0.018 0.000 0.871 652 A CB 0.904 19.988 19.000 0.139 0.000 1.166 652 A HN 0.459 nan 8.150 nan 0.000 0.522 653 V N 2.362 122.109 119.914 -0.278 0.000 2.370 653 V HA 0.538 4.657 4.120 -0.001 0.000 0.283 653 V C 0.975 176.608 176.094 -0.769 0.000 1.023 653 V CA 0.365 62.256 62.300 -0.681 0.000 0.857 653 V CB 0.698 31.780 31.823 -1.234 0.000 0.985 653 V HN 2.016 nan 8.190 nan 0.000 0.443 654 A N 5.776 128.123 122.820 -0.788 0.000 2.511 654 A HA -0.106 4.213 4.320 -0.001 0.000 0.297 654 A C -1.742 175.637 177.584 -0.340 0.000 1.476 654 A CA 0.361 51.847 52.037 -0.918 0.000 0.757 654 A CB -1.573 17.044 19.000 -0.637 0.000 1.072 654 A HN 0.622 nan 8.150 nan 0.000 0.413 655 P HA 0.382 nan 4.420 nan 0.000 0.278 655 P C 0.302 177.558 177.300 -0.073 0.000 1.238 655 P CA -0.142 62.915 63.100 -0.072 0.000 0.794 655 P CB 1.207 32.898 31.700 -0.015 0.000 0.955 656 V N 2.679 122.464 119.914 -0.215 0.000 2.655 656 V HA -0.012 4.107 4.120 -0.001 0.000 0.300 656 V C 1.854 177.788 176.094 -0.266 0.000 1.044 656 V CA 1.242 63.280 62.300 -0.436 0.000 1.095 656 V CB 0.490 31.649 31.823 -1.105 0.000 0.952 656 V HN 0.828 nan 8.190 nan 0.000 0.485 657 S N 4.196 119.767 115.700 -0.216 0.000 2.539 657 S HA 0.234 4.703 4.470 -0.001 0.000 0.226 657 S C 0.523 174.976 174.600 -0.244 0.000 1.054 657 S CA -0.265 57.870 58.200 -0.107 0.000 0.910 657 S CB 0.305 63.505 63.200 -0.000 0.000 0.818 657 S HN 0.847 nan 8.310 nan 0.000 0.490 658 R N -1.332 118.894 120.500 -0.456 0.000 2.594 658 R HA 0.360 4.700 4.340 -0.001 0.000 0.265 658 R C -1.037 174.927 176.300 -0.561 0.000 1.070 658 R CA -0.857 54.899 56.100 -0.573 0.000 0.909 658 R CB -0.076 29.891 30.300 -0.555 0.000 1.243 658 R HN 0.171 nan 8.270 nan 0.000 0.455 659 W N 1.363 122.587 121.300 -0.126 0.000 2.425 659 W HA 0.029 4.689 4.660 -0.001 0.000 0.277 659 W C 1.292 177.970 176.519 0.265 0.000 1.231 659 W CA 0.684 58.044 57.345 0.026 0.000 1.248 659 W CB 0.275 29.626 29.460 -0.182 0.000 1.117 659 W HN 0.748 nan 8.180 nan 0.000 0.568 660 E N -0.835 119.583 120.200 0.364 0.000 2.333 660 E HA -0.205 4.144 4.350 -0.001 0.000 0.198 660 E C 1.382 178.155 176.600 0.288 0.000 1.007 660 E CA 1.068 57.609 56.400 0.234 0.000 0.845 660 E CB -0.381 29.343 29.700 0.040 0.000 0.766 660 E HN 0.349 nan 8.360 nan 0.000 0.507 661 Y N -1.463 118.944 120.300 0.178 0.000 2.519 661 Y HA 0.067 4.617 4.550 -0.001 0.000 0.287 661 Y C 0.691 176.709 175.900 0.196 0.000 1.128 661 Y CA -0.289 57.885 58.100 0.124 0.000 1.282 661 Y CB -0.474 38.001 38.460 0.024 0.000 1.027 661 Y HN 0.027 nan 8.280 nan 0.000 0.551 662 Y N 1.829 122.300 120.300 0.285 0.000 2.392 662 Y HA 0.292 4.841 4.550 -0.001 0.000 0.323 662 Y C 0.283 176.416 175.900 0.388 0.000 1.291 662 Y CA -2.211 56.066 58.100 0.296 0.000 1.345 662 Y CB 0.383 39.043 38.460 0.334 0.000 1.320 662 Y HN 0.181 nan 8.280 nan 0.000 0.518 663 D N -0.513 119.614 120.400 -0.454 0.000 2.368 663 D HA 0.087 4.726 4.640 -0.001 0.000 0.240 663 D C 0.917 177.192 176.300 -0.042 0.000 1.169 663 D CA 0.384 54.189 54.000 -0.325 0.000 0.906 663 D CB 0.894 41.307 40.800 -0.645 0.000 1.187 663 D HN 0.476 nan 8.370 nan 0.000 0.435 664 S N 1.056 116.746 115.700 -0.015 0.000 2.356 664 S HA -0.205 4.265 4.470 -0.001 0.000 0.223 664 S C 1.908 176.532 174.600 0.040 0.000 1.032 664 S CA 1.080 59.323 58.200 0.073 0.000 1.005 664 S CB -0.932 62.323 63.200 0.091 0.000 0.867 664 S HN 0.426 nan 8.310 nan 0.000 0.449 665 V N 0.841 120.718 119.914 -0.062 0.000 2.261 665 V HA -0.165 3.954 4.120 -0.001 0.000 0.246 665 V C 2.299 178.294 176.094 -0.166 0.000 1.047 665 V CA 2.204 64.371 62.300 -0.223 0.000 1.015 665 V CB -1.051 30.486 31.823 -0.477 0.000 0.642 665 V HN 0.587 nan 8.190 nan 0.000 0.446 666 Y N 1.283 121.511 120.300 -0.120 0.000 2.133 666 Y HA -0.241 4.308 4.550 -0.001 0.000 0.287 666 Y C 2.752 178.647 175.900 -0.008 0.000 1.134 666 Y CA 2.393 60.505 58.100 0.019 0.000 1.133 666 Y CB -0.593 38.067 38.460 0.334 0.000 0.987 666 Y HN 0.217 nan 8.280 nan 0.000 0.502 667 T N 0.368 115.113 114.554 0.317 0.000 2.652 667 T HA -0.209 4.140 4.350 -0.001 0.000 0.267 667 T C 1.573 176.243 174.700 -0.049 0.000 1.039 667 T CA 1.999 64.232 62.100 0.222 0.000 1.153 667 T CB -0.315 68.846 68.868 0.488 0.000 0.863 667 T HN 0.452 nan 8.240 nan 0.000 0.428 668 E N 0.507 120.701 120.200 -0.010 0.000 2.204 668 E HA -0.057 4.293 4.350 -0.001 0.000 0.194 668 E C 2.374 178.848 176.600 -0.211 0.000 0.989 668 E CA 0.326 56.715 56.400 -0.019 0.000 0.824 668 E CB -0.112 29.626 29.700 0.064 0.000 0.756 668 E HN 0.322 nan 8.360 nan 0.000 0.477 669 R N 0.238 120.451 120.500 -0.477 0.000 2.113 669 R HA -0.226 4.113 4.340 -0.001 0.000 0.244 669 R C 1.472 177.252 176.300 -0.867 0.000 1.142 669 R CA 1.889 57.503 56.100 -0.810 0.000 0.953 669 R CB -0.086 29.326 30.300 -1.480 0.000 0.860 669 R HN 0.264 nan 8.270 nan 0.000 0.438 670 Y N -2.258 117.720 120.300 -0.537 0.000 2.503 670 Y HA 0.172 4.722 4.550 -0.001 0.000 0.277 670 Y C 1.909 177.622 175.900 -0.312 0.000 1.102 670 Y CA 0.111 57.901 58.100 -0.516 0.000 1.261 670 Y CB 0.251 38.266 38.460 -0.742 0.000 1.096 670 Y HN -0.034 nan 8.280 nan 0.000 0.546 671 M N -0.423 119.068 119.600 -0.181 0.000 2.367 671 M HA 0.333 4.812 4.480 -0.001 0.000 0.256 671 M C 1.201 177.528 176.300 0.045 0.000 1.091 671 M CA 0.817 56.011 55.300 -0.178 0.000 1.049 671 M CB -0.496 31.807 32.600 -0.495 0.000 1.406 671 M HN 0.384 nan 8.290 nan 0.000 0.498 672 G N 1.764 110.600 108.800 0.059 0.000 2.569 672 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.259 672 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.259 672 G C -0.616 174.425 174.900 0.234 0.000 1.263 672 G CA -0.705 44.467 45.100 0.121 0.000 0.928 672 G HN 0.249 nan 8.290 nan 0.000 0.572 673 L N 2.604 123.928 121.223 0.169 0.000 2.325 673 L HA 0.517 4.857 4.340 -0.001 0.000 0.279 673 L C -1.394 175.451 176.870 -0.042 0.000 1.054 673 L CA -2.137 52.745 54.840 0.070 0.000 0.804 673 L CB 1.167 43.239 42.059 0.022 0.000 1.200 673 L HN 0.430 nan 8.230 nan 0.000 0.436 674 P HA 0.094 nan 4.420 nan 0.000 0.225 674 P C -0.556 176.596 177.300 -0.246 0.000 1.768 674 P CA -0.114 62.565 63.100 -0.701 0.000 0.943 674 P CB -0.471 30.523 31.700 -1.177 0.000 1.936 675 T N -3.086 111.412 114.554 -0.094 0.000 2.908 675 T HA 0.465 4.814 4.350 -0.001 0.000 0.290 675 T C -2.243 172.458 174.700 0.001 0.000 1.034 675 T CA -2.565 59.510 62.100 -0.041 0.000 1.010 675 T CB 1.880 70.733 68.868 -0.025 0.000 1.068 675 T HN -0.303 nan 8.240 nan 0.000 0.481 676 P HA -0.177 nan 4.420 nan 0.000 0.217 676 P C 1.356 178.670 177.300 0.024 0.000 1.151 676 P CA 1.207 64.318 63.100 0.018 0.000 0.849 676 P CB 0.117 31.824 31.700 0.012 0.000 0.787 677 E N -1.836 118.374 120.200 0.018 0.000 2.478 677 E HA -0.029 4.320 4.350 -0.001 0.000 0.194 677 E C 0.912 177.528 176.600 0.027 0.000 1.045 677 E CA 0.579 56.990 56.400 0.019 0.000 0.868 677 E CB -0.202 29.504 29.700 0.011 0.000 0.885 677 E HN 0.250 nan 8.360 nan 0.000 0.505 678 D N 1.142 121.564 120.400 0.038 0.000 2.970 678 D HA 0.032 4.671 4.640 -0.001 0.000 0.236 678 D C 0.338 176.692 176.300 0.089 0.000 1.415 678 D CA 0.004 54.038 54.000 0.056 0.000 1.279 678 D CB -0.002 40.832 40.800 0.057 0.000 0.932 678 D HN -0.009 nan 8.370 nan 0.000 0.216 679 N N -0.023 118.763 118.700 0.142 0.000 2.299 679 N HA 0.104 4.843 4.740 -0.001 0.000 0.246 679 N C 1.006 176.709 175.510 0.322 0.000 1.254 679 N CA -0.119 53.069 53.050 0.230 0.000 0.879 679 N CB 0.282 38.939 38.487 0.284 0.000 1.214 679 N HN 0.105 nan 8.380 nan 0.000 0.510 680 L N 0.658 121.987 121.223 0.176 0.000 2.013 680 L HA -0.149 4.191 4.340 -0.001 0.000 0.212 680 L C 1.221 178.204 176.870 0.188 0.000 1.073 680 L CA 2.029 56.949 54.840 0.134 0.000 0.753 680 L CB -0.524 41.556 42.059 0.035 0.000 0.890 680 L HN 0.121 nan 8.230 nan 0.000 0.432 681 D N -1.491 119.000 120.400 0.152 0.000 2.116 681 D HA -0.268 4.372 4.640 -0.001 0.000 0.193 681 D C 2.139 178.534 176.300 0.159 0.000 0.998 681 D CA 1.862 55.941 54.000 0.131 0.000 0.836 681 D CB -0.179 40.686 40.800 0.109 0.000 0.951 681 D HN 0.617 nan 8.370 nan 0.000 0.449 682 H N -1.288 117.852 119.070 0.117 0.000 2.470 682 H HA -0.015 4.540 4.556 -0.001 0.000 0.289 682 H C 1.658 177.054 175.328 0.114 0.000 1.033 682 H CA 1.052 57.148 56.048 0.081 0.000 1.331 682 H CB -0.219 29.557 29.762 0.023 0.000 1.414 682 H HN 0.165 nan 8.280 nan 0.000 0.545 683 Y N 0.553 120.876 120.300 0.038 0.000 2.165 683 Y HA -0.204 4.345 4.550 -0.001 0.000 0.286 683 Y C 2.522 178.402 175.900 -0.034 0.000 1.155 683 Y CA 1.804 59.924 58.100 0.033 0.000 1.164 683 Y CB 0.012 38.515 38.460 0.071 0.000 0.978 683 Y HN 0.156 nan 8.280 nan 0.000 0.513 684 R N -0.468 120.107 120.500 0.125 0.000 2.148 684 R HA -0.093 4.247 4.340 -0.001 0.000 0.223 684 R C 1.838 178.132 176.300 -0.011 0.000 1.088 684 R CA 1.062 57.189 56.100 0.044 0.000 0.985 684 R CB -0.291 30.038 30.300 0.047 0.000 0.880 684 R HN 0.424 nan 8.270 nan 0.000 0.451 685 N N 0.361 119.028 118.700 -0.054 0.000 2.457 685 N HA -0.063 4.676 4.740 -0.001 0.000 0.180 685 N C 0.499 175.927 175.510 -0.136 0.000 1.050 685 N CA 1.011 54.011 53.050 -0.083 0.000 0.906 685 N CB 0.291 38.746 38.487 -0.053 0.000 0.968 685 N HN 0.151 nan 8.380 nan 0.000 0.445 686 S N -0.230 115.353 115.700 -0.195 0.000 2.561 686 S HA 0.059 4.528 4.470 -0.001 0.000 0.245 686 S C 0.476 175.123 174.600 0.079 0.000 1.001 686 S CA -0.770 57.377 58.200 -0.088 0.000 1.002 686 S CB -0.027 63.059 63.200 -0.190 0.000 0.805 686 S HN 0.126 nan 8.310 nan 0.000 0.458 687 T N -1.254 113.300 114.554 0.001 0.000 2.909 687 T HA 0.488 4.837 4.350 -0.001 0.000 0.286 687 T C 1.347 176.042 174.700 -0.009 0.000 1.002 687 T CA -0.182 61.907 62.100 -0.017 0.000 1.074 687 T CB 1.541 70.368 68.868 -0.069 0.000 0.984 687 T HN 0.408 nan 8.240 nan 0.000 0.495 688 V N 2.318 122.224 119.914 -0.014 0.000 2.548 688 V HA -0.061 4.058 4.120 -0.001 0.000 0.249 688 V C 2.240 178.313 176.094 -0.035 0.000 1.055 688 V CA 1.464 63.750 62.300 -0.023 0.000 1.065 688 V CB -1.164 30.645 31.823 -0.024 0.000 0.681 688 V HN 0.855 nan 8.190 nan 0.000 0.462 689 M N 2.508 122.068 119.600 -0.066 0.000 2.108 689 M HA -0.173 4.306 4.480 -0.001 0.000 0.257 689 M C 2.418 178.695 176.300 -0.039 0.000 1.071 689 M CA 2.562 57.818 55.300 -0.073 0.000 1.093 689 M CB -1.106 31.462 32.600 -0.053 0.000 1.345 689 M HN 0.758 nan 8.290 nan 0.000 0.403 690 S N -0.548 115.139 115.700 -0.022 0.000 2.507 690 S HA -0.067 4.402 4.470 -0.001 0.000 0.235 690 S C 1.762 176.367 174.600 0.009 0.000 0.988 690 S CA 0.718 58.913 58.200 -0.008 0.000 0.944 690 S CB -0.428 62.765 63.200 -0.011 0.000 0.762 690 S HN 0.550 nan 8.310 nan 0.000 0.526 691 R N 0.253 120.772 120.500 0.032 0.000 2.397 691 R HA 0.449 4.788 4.340 -0.001 0.000 0.241 691 R C 2.216 178.621 176.300 0.174 0.000 0.914 691 R CA 0.435 56.578 56.100 0.072 0.000 1.071 691 R CB -0.201 30.131 30.300 0.054 0.000 1.116 691 R HN 0.454 nan 8.270 nan 0.000 0.524 692 A N 1.692 124.573 122.820 0.102 0.000 1.940 692 A HA -0.310 4.009 4.320 -0.001 0.000 0.221 692 A C 2.037 179.710 177.584 0.147 0.000 1.190 692 A CA 2.084 54.154 52.037 0.056 0.000 0.647 692 A CB -0.303 18.650 19.000 -0.079 0.000 0.821 692 A HN 0.293 nan 8.150 nan 0.000 0.457 693 E N 0.465 120.722 120.200 0.096 0.000 2.110 693 E HA -0.173 4.176 4.350 -0.001 0.000 0.193 693 E C 1.569 178.224 176.600 0.092 0.000 0.988 693 E CA 1.594 58.041 56.400 0.079 0.000 0.804 693 E CB -0.237 29.491 29.700 0.046 0.000 0.745 693 E HN 0.604 nan 8.360 nan 0.000 0.458 694 N N -0.414 118.333 118.700 0.079 0.000 2.512 694 N HA -0.095 4.645 4.740 -0.001 0.000 0.183 694 N C 0.821 176.313 175.510 -0.031 0.000 1.073 694 N CA 0.489 53.539 53.050 0.000 0.000 0.911 694 N CB -0.226 38.215 38.487 -0.078 0.000 0.964 694 N HN 0.227 nan 8.380 nan 0.000 0.447 695 F N 1.414 121.318 119.950 -0.076 0.000 2.546 695 F HA 0.023 4.549 4.527 -0.001 0.000 0.298 695 F C 1.940 177.744 175.800 0.006 0.000 1.120 695 F CA 0.629 58.580 58.000 -0.082 0.000 1.456 695 F CB -0.003 38.895 39.000 -0.170 0.000 1.088 695 F HN -0.055 nan 8.300 nan 0.000 0.572 696 K N -0.071 120.430 120.400 0.168 0.000 2.281 696 K HA -0.197 4.122 4.320 -0.001 0.000 0.203 696 K C 1.601 178.259 176.600 0.097 0.000 1.046 696 K CA 1.127 57.490 56.287 0.128 0.000 0.938 696 K CB -0.173 32.383 32.500 0.093 0.000 0.737 696 K HN 0.423 nan 8.250 nan 0.000 0.458 697 Q N 0.039 119.878 119.800 0.064 0.000 2.392 697 Q HA 0.032 4.371 4.340 -0.001 0.000 0.203 697 Q C 0.276 176.315 176.000 0.065 0.000 0.917 697 Q CA 0.081 55.912 55.803 0.047 0.000 0.939 697 Q CB 0.779 29.524 28.738 0.013 0.000 1.063 697 Q HN 0.139 nan 8.270 nan 0.000 0.516 698 V N -3.004 116.964 119.914 0.091 0.000 3.160 698 V HA 0.504 4.623 4.120 -0.001 0.000 0.310 698 V C -1.425 174.808 176.094 0.231 0.000 1.181 698 V CA -1.268 61.111 62.300 0.132 0.000 1.047 698 V CB 2.324 34.187 31.823 0.068 0.000 1.068 698 V HN -0.032 nan 8.190 nan 0.000 0.441 699 E N 1.335 121.707 120.200 0.287 0.000 2.133 699 E HA 0.508 4.857 4.350 -0.001 0.000 0.274 699 E C -1.897 175.096 176.600 0.655 0.000 0.930 699 E CA -0.391 56.256 56.400 0.411 0.000 0.770 699 E CB 1.944 31.807 29.700 0.272 0.000 1.104 699 E HN 0.681 nan 8.360 nan 0.000 0.403 700 Y N 3.064 123.643 120.300 0.465 0.000 2.376 700 Y HA 0.467 5.016 4.550 -0.001 0.000 0.340 700 Y C -1.621 174.325 175.900 0.078 0.000 0.965 700 Y CA -1.584 56.713 58.100 0.327 0.000 1.078 700 Y CB 1.113 39.791 38.460 0.364 0.000 1.193 700 Y HN 0.450 nan 8.280 nan 0.000 0.452 701 L N 7.467 128.354 121.223 -0.560 0.000 2.305 701 L HA 0.592 4.932 4.340 -0.001 0.000 0.284 701 L C -2.034 174.331 176.870 -0.842 0.000 1.013 701 L CA -0.758 53.599 54.840 -0.805 0.000 0.819 701 L CB 1.265 42.536 42.059 -1.313 0.000 1.227 701 L HN 0.630 nan 8.230 nan 0.000 0.417 702 L N 6.822 127.638 121.223 -0.677 0.000 2.305 702 L HA 0.669 5.008 4.340 -0.001 0.000 0.284 702 L C -1.081 175.636 176.870 -0.254 0.000 1.013 702 L CA -0.030 54.467 54.840 -0.572 0.000 0.819 702 L CB 1.023 42.785 42.059 -0.497 0.000 1.227 702 L HN 0.558 nan 8.230 nan 0.000 0.417 703 I N 4.581 125.014 120.570 -0.228 0.000 2.545 703 I HA 0.451 4.620 4.170 -0.001 0.000 0.292 703 I C -1.154 174.925 176.117 -0.063 0.000 1.040 703 I CA -0.749 60.477 61.300 -0.122 0.000 1.068 703 I CB 2.037 39.928 38.000 -0.182 0.000 1.251 703 I HN 0.677 nan 8.210 nan 0.000 0.424 704 H N 2.224 121.343 119.070 0.082 0.000 3.086 704 H HA 0.414 4.969 4.556 -0.001 0.000 0.353 704 H C -0.262 175.297 175.328 0.384 0.000 1.134 704 H CA -0.591 55.567 56.048 0.183 0.000 1.248 704 H CB 1.984 31.828 29.762 0.137 0.000 1.878 704 H HN 0.774 nan 8.280 nan 0.000 0.527 705 G N 1.151 110.293 108.800 0.571 0.000 2.403 705 G HA2 0.174 4.133 3.960 -0.001 0.000 0.259 705 G HA3 0.174 4.133 3.960 -0.001 0.000 0.259 705 G C 1.190 176.341 174.900 0.417 0.000 1.244 705 G CA 0.202 45.587 45.100 0.474 0.000 0.849 705 G HN 0.742 nan 8.290 nan 0.000 0.532 706 T N -0.599 114.060 114.554 0.174 0.000 2.995 706 T HA 0.112 4.462 4.350 -0.001 0.000 0.269 706 T C 1.693 176.351 174.700 -0.070 0.000 1.091 706 T CA 1.252 63.274 62.100 -0.130 0.000 1.128 706 T CB 0.169 68.876 68.868 -0.268 0.000 0.891 706 T HN 0.694 nan 8.240 nan 0.000 0.492 707 A N 1.093 123.947 122.820 0.056 0.000 2.708 707 A HA 0.327 4.647 4.320 -0.001 0.000 0.293 707 A C 0.346 177.892 177.584 -0.063 0.000 1.303 707 A CA -0.506 51.549 52.037 0.029 0.000 0.949 707 A CB -0.338 18.969 19.000 0.510 0.000 1.121 707 A HN 0.382 nan 8.150 nan 0.000 0.542 708 D N 1.516 121.886 120.400 -0.049 0.000 2.344 708 D HA 0.003 4.642 4.640 -0.001 0.000 0.253 708 D C 0.427 176.685 176.300 -0.069 0.000 1.255 708 D CA 0.059 54.139 54.000 0.134 0.000 0.894 708 D CB 0.691 41.729 40.800 0.396 0.000 1.067 708 D HN 0.560 nan 8.370 nan 0.000 0.492 709 D N 2.106 122.529 120.400 0.037 0.000 2.347 709 D HA -0.102 4.538 4.640 -0.001 0.000 0.213 709 D C 0.943 177.215 176.300 -0.045 0.000 0.985 709 D CA 0.163 54.125 54.000 -0.062 0.000 0.879 709 D CB 0.321 41.013 40.800 -0.179 0.000 0.919 709 D HN 0.440 nan 8.370 nan 0.000 0.526 710 N N -0.047 118.736 118.700 0.138 0.000 2.530 710 N HA -0.007 4.732 4.740 -0.001 0.000 0.216 710 N C -0.258 175.233 175.510 -0.031 0.000 1.031 710 N CA 0.054 53.227 53.050 0.205 0.000 1.063 710 N CB 0.824 39.435 38.487 0.207 0.000 1.346 710 N HN -0.186 nan 8.380 nan 0.000 0.515 711 V N 2.393 122.314 119.914 0.011 0.000 2.334 711 V HA 0.204 4.323 4.120 -0.001 0.000 0.267 711 V C -0.816 175.379 176.094 0.169 0.000 1.040 711 V CA -0.317 62.021 62.300 0.063 0.000 0.866 711 V CB 0.138 32.055 31.823 0.157 0.000 1.019 711 V HN 0.336 nan 8.190 nan 0.000 0.468 712 H N 3.528 122.590 119.070 -0.013 0.000 2.815 712 H HA 0.043 4.598 4.556 -0.001 0.000 0.350 712 H C 0.751 175.910 175.328 -0.282 0.000 1.080 712 H CA -0.273 55.666 56.048 -0.182 0.000 1.433 712 H CB 0.866 30.444 29.762 -0.306 0.000 1.432 712 H HN 0.645 nan 8.280 nan 0.000 0.592 713 F N 2.237 121.946 119.950 -0.401 0.000 2.147 713 F HA -0.353 4.173 4.527 -0.002 0.000 0.301 713 F C 2.635 178.151 175.800 -0.472 0.000 1.084 713 F CA 2.011 59.580 58.000 -0.720 0.000 1.268 713 F CB -0.235 38.536 39.000 -0.382 0.000 1.009 713 F HN 0.687 nan 8.300 nan 0.000 0.486 714 Q N 0.110 119.764 119.800 -0.244 0.000 2.188 714 Q HA -0.374 3.965 4.340 -0.001 0.000 0.217 714 Q C 2.112 177.867 176.000 -0.408 0.000 1.018 714 Q CA 2.695 58.304 55.803 -0.323 0.000 0.910 714 Q CB -0.458 28.072 28.738 -0.346 0.000 0.979 714 Q HN 0.627 nan 8.270 nan 0.000 0.413 715 Q N -0.555 119.052 119.800 -0.321 0.000 2.050 715 Q HA -0.118 4.221 4.340 -0.001 0.000 0.202 715 Q C 2.275 178.188 176.000 -0.145 0.000 0.980 715 Q CA 1.738 57.476 55.803 -0.107 0.000 0.840 715 Q CB -0.116 28.644 28.738 0.037 0.000 0.898 715 Q HN 0.339 nan 8.270 nan 0.000 0.424 716 S N 0.579 116.098 115.700 -0.302 0.000 2.414 716 S HA 0.005 4.475 4.470 -0.001 0.000 0.227 716 S C 2.008 176.355 174.600 -0.422 0.000 1.022 716 S CA 0.697 58.713 58.200 -0.308 0.000 0.958 716 S CB -0.050 62.987 63.200 -0.272 0.000 0.797 716 S HN 0.460 nan 8.310 nan 0.000 0.493 717 A N 1.210 123.668 122.820 -0.604 0.000 1.972 717 A HA -0.105 4.215 4.320 -0.001 0.000 0.219 717 A C 2.109 179.579 177.584 -0.190 0.000 1.169 717 A CA 1.060 52.868 52.037 -0.381 0.000 0.635 717 A CB -0.344 18.478 19.000 -0.297 0.000 0.810 717 A HN 0.338 nan 8.150 nan 0.000 0.446 718 Q N -0.416 119.281 119.800 -0.171 0.000 2.187 718 Q HA 0.021 4.361 4.340 -0.001 0.000 0.199 718 Q C 2.093 178.039 176.000 -0.090 0.000 0.957 718 Q CA 0.945 56.706 55.803 -0.070 0.000 0.857 718 Q CB -0.314 28.457 28.738 0.055 0.000 0.929 718 Q HN 0.779 nan 8.270 nan 0.000 0.453 719 I N 1.068 121.556 120.570 -0.138 0.000 2.179 719 I HA -0.283 3.886 4.170 -0.001 0.000 0.242 719 I C 2.541 178.479 176.117 -0.298 0.000 1.088 719 I CA 1.526 62.694 61.300 -0.220 0.000 1.357 719 I CB -0.438 37.434 38.000 -0.213 0.000 1.051 719 I HN 0.183 nan 8.210 nan 0.000 0.409 720 S N 0.865 116.424 115.700 -0.236 0.000 2.368 720 S HA -0.265 4.204 4.470 -0.001 0.000 0.225 720 S C 2.055 176.639 174.600 -0.027 0.000 1.030 720 S CA 1.414 59.517 58.200 -0.161 0.000 0.999 720 S CB -0.406 62.859 63.200 0.109 0.000 0.844 720 S HN 0.377 nan 8.310 nan 0.000 0.459 721 K N 1.635 122.014 120.400 -0.034 0.000 2.057 721 K HA 0.029 4.348 4.320 -0.001 0.000 0.207 721 K C 2.300 178.885 176.600 -0.025 0.000 1.049 721 K CA 1.197 57.481 56.287 -0.005 0.000 0.931 721 K CB -0.710 31.782 32.500 -0.013 0.000 0.714 721 K HN 0.450 nan 8.250 nan 0.000 0.440 722 A N 0.974 123.747 122.820 -0.078 0.000 1.933 722 A HA -0.094 4.225 4.320 -0.001 0.000 0.218 722 A C 2.060 179.579 177.584 -0.107 0.000 1.175 722 A CA 1.258 53.242 52.037 -0.088 0.000 0.628 722 A CB -0.525 18.406 19.000 -0.115 0.000 0.814 722 A HN 0.330 nan 8.150 nan 0.000 0.444 723 L N -0.791 120.320 121.223 -0.187 0.000 2.156 723 L HA -0.099 4.240 4.340 -0.001 0.000 0.208 723 L C 2.426 179.336 176.870 0.066 0.000 1.095 723 L CA 0.607 55.349 54.840 -0.163 0.000 0.770 723 L CB -0.462 41.302 42.059 -0.492 0.000 0.914 723 L HN 0.220 nan 8.230 nan 0.000 0.439 724 V N -0.232 119.755 119.914 0.123 0.000 2.358 724 V HA -0.262 3.857 4.120 -0.001 0.000 0.246 724 V C 2.031 178.171 176.094 0.075 0.000 1.047 724 V CA 1.793 64.180 62.300 0.143 0.000 1.035 724 V CB -0.465 31.438 31.823 0.133 0.000 0.658 724 V HN 0.416 nan 8.190 nan 0.000 0.452 725 D N 0.450 120.875 120.400 0.041 0.000 2.218 725 D HA -0.110 4.529 4.640 -0.001 0.000 0.204 725 D C 1.793 178.110 176.300 0.029 0.000 0.976 725 D CA 1.733 55.749 54.000 0.027 0.000 0.853 725 D CB -0.083 40.725 40.800 0.012 0.000 0.939 725 D HN 0.562 nan 8.370 nan 0.000 0.481 726 V N -3.651 116.281 119.914 0.031 0.000 3.542 726 V HA 0.502 4.621 4.120 -0.001 0.000 0.296 726 V C 1.217 177.344 176.094 0.055 0.000 1.364 726 V CA 0.292 62.614 62.300 0.037 0.000 1.118 726 V CB -0.067 31.775 31.823 0.031 0.000 0.972 726 V HN 0.144 nan 8.190 nan 0.000 0.430 727 G N 0.510 109.352 108.800 0.069 0.000 2.225 727 G HA2 -0.185 3.775 3.960 -0.001 0.000 0.264 727 G HA3 -0.185 3.775 3.960 -0.001 0.000 0.264 727 G C -0.094 174.871 174.900 0.108 0.000 1.060 727 G CA 0.151 45.299 45.100 0.080 0.000 0.833 727 G HN 0.852 nan 8.290 nan 0.000 0.498 728 V N 0.585 120.588 119.914 0.147 0.000 2.383 728 V HA 0.415 4.534 4.120 -0.001 0.000 0.275 728 V C 0.438 176.723 176.094 0.320 0.000 1.036 728 V CA -0.519 61.905 62.300 0.206 0.000 0.889 728 V CB 1.640 33.574 31.823 0.185 0.000 0.985 728 V HN 0.427 nan 8.190 nan 0.000 0.459 729 D N 4.608 125.155 120.400 0.244 0.000 2.308 729 D HA 0.532 5.171 4.640 -0.001 0.000 0.251 729 D C -0.472 176.029 176.300 0.335 0.000 1.127 729 D CA 0.156 54.272 54.000 0.193 0.000 0.876 729 D CB 0.569 41.425 40.800 0.092 0.000 1.176 729 D HN 0.366 nan 8.370 nan 0.000 0.446 730 F N 0.265 120.290 119.950 0.124 0.000 2.754 730 F HA 0.550 5.077 4.527 0.000 0.000 0.320 730 F C -1.144 174.710 175.800 0.089 0.000 1.156 730 F CA -1.132 56.967 58.000 0.164 0.000 0.950 730 F CB 0.932 40.066 39.000 0.224 0.000 1.388 730 F HN 0.034 nan 8.300 nan 0.000 0.485 731 Q N 1.159 121.049 119.800 0.150 0.000 2.306 731 Q HA 0.800 5.140 4.340 -0.001 0.000 0.265 731 Q C -0.991 175.007 176.000 -0.004 0.000 1.022 731 Q CA -0.929 54.859 55.803 -0.024 0.000 0.853 731 Q CB 2.231 30.971 28.738 0.003 0.000 1.327 731 Q HN 1.024 nan 8.270 nan 0.000 0.449 732 A N 1.731 124.519 122.820 -0.053 0.000 2.566 732 A HA 0.865 5.184 4.320 -0.001 0.000 0.292 732 A C -1.425 176.096 177.584 -0.104 0.000 1.112 732 A CA -0.559 51.470 52.037 -0.013 0.000 0.707 732 A CB 2.027 21.095 19.000 0.114 0.000 1.302 732 A HN 0.604 nan 8.150 nan 0.000 0.409 733 M N 1.184 120.705 119.600 -0.132 0.000 2.274 733 M HA 0.540 5.020 4.480 -0.001 0.000 0.272 733 M C -1.951 174.227 176.300 -0.203 0.000 1.053 733 M CA -0.605 54.471 55.300 -0.374 0.000 0.978 733 M CB 1.126 33.406 32.600 -0.534 0.000 1.836 733 M HN 0.943 nan 8.290 nan 0.000 0.484 734 W N 4.497 125.652 121.300 -0.241 0.000 2.449 734 W HA 0.748 5.407 4.660 -0.002 0.000 0.331 734 W C -1.924 174.328 176.519 -0.444 0.000 1.119 734 W CA -0.735 56.535 57.345 -0.124 0.000 1.240 734 W CB 0.257 29.660 29.460 -0.094 0.000 1.251 734 W HN 0.612 nan 8.180 nan 0.000 0.576 735 Y N 2.572 122.993 120.300 0.202 0.000 2.388 735 Y HA 0.291 4.841 4.550 -0.001 0.000 0.328 735 Y C 0.525 176.532 175.900 0.179 0.000 0.963 735 Y CA -1.095 57.056 58.100 0.085 0.000 1.240 735 Y CB 1.277 39.762 38.460 0.042 0.000 1.118 735 Y HN 0.427 nan 8.280 nan 0.000 0.484 736 T N 4.725 119.453 114.554 0.290 0.000 2.831 736 T HA -0.012 4.337 4.350 -0.001 0.000 0.291 736 T C 0.166 174.925 174.700 0.099 0.000 0.981 736 T CA 0.681 62.881 62.100 0.168 0.000 1.174 736 T CB -0.133 68.781 68.868 0.076 0.000 0.929 736 T HN 0.718 nan 8.240 nan 0.000 0.532 737 D N 0.668 121.092 120.400 0.041 0.000 2.946 737 D HA -0.124 4.515 4.640 -0.001 0.000 0.202 737 D C 0.324 176.734 176.300 0.182 0.000 1.068 737 D CA 1.164 55.111 54.000 -0.089 0.000 1.011 737 D CB -0.419 40.110 40.800 -0.451 0.000 1.105 737 D HN 0.564 nan 8.370 nan 0.000 0.425 738 E N 1.008 121.341 120.200 0.221 0.000 2.349 738 E HA 0.325 4.674 4.350 -0.001 0.000 0.265 738 E C 0.749 177.530 176.600 0.301 0.000 1.064 738 E CA -0.141 56.416 56.400 0.262 0.000 0.886 738 E CB 1.105 30.954 29.700 0.249 0.000 1.036 738 E HN 0.386 nan 8.360 nan 0.000 0.413 739 D N -0.510 120.081 120.400 0.320 0.000 2.589 739 D HA 0.008 4.647 4.640 -0.001 0.000 0.268 739 D C 1.051 177.584 176.300 0.390 0.000 1.182 739 D CA -0.298 53.916 54.000 0.357 0.000 1.087 739 D CB -0.172 40.866 40.800 0.398 0.000 1.186 739 D HN 0.407 nan 8.370 nan 0.000 0.620 740 H N -1.407 117.853 119.070 0.317 0.000 2.457 740 H HA 0.043 4.598 4.556 -0.001 0.000 0.297 740 H C 1.893 177.464 175.328 0.405 0.000 1.092 740 H CA 2.337 58.594 56.048 0.348 0.000 1.309 740 H CB -0.393 29.552 29.762 0.304 0.000 1.382 740 H HN 0.506 nan 8.280 nan 0.000 0.535 741 G N -0.313 108.648 108.800 0.268 0.000 2.551 741 G HA2 -0.012 3.947 3.960 -0.001 0.000 0.216 741 G HA3 -0.012 3.947 3.960 -0.001 0.000 0.216 741 G C 0.620 175.657 174.900 0.228 0.000 1.137 741 G CA 0.320 45.476 45.100 0.094 0.000 0.798 741 G HN 0.522 nan 8.290 nan 0.000 0.536 742 I N 0.024 120.782 120.570 0.313 0.000 6.347 742 I HA -0.316 3.853 4.170 -0.001 0.000 0.126 742 I C 1.428 177.656 176.117 0.186 0.000 1.576 742 I CA 0.141 61.583 61.300 0.236 0.000 2.463 742 I CB -1.129 36.993 38.000 0.203 0.000 2.990 742 I HN 0.253 nan 8.210 nan 0.000 0.281 743 A N 0.811 123.723 122.820 0.152 0.000 2.431 743 A HA 0.323 4.642 4.320 -0.001 0.000 0.239 743 A C 1.054 178.691 177.584 0.088 0.000 1.230 743 A CA 0.089 52.190 52.037 0.106 0.000 0.928 743 A CB 0.333 19.368 19.000 0.058 0.000 1.006 743 A HN 0.411 nan 8.150 nan 0.000 0.520 744 S N 0.353 116.118 115.700 0.108 0.000 2.558 744 S HA 0.069 4.539 4.470 -0.001 0.000 0.291 744 S C 1.622 176.280 174.600 0.097 0.000 1.306 744 S CA 0.542 58.800 58.200 0.096 0.000 1.056 744 S CB 1.055 64.315 63.200 0.100 0.000 0.836 744 S HN 0.601 nan 8.310 nan 0.000 0.504 745 S N 2.582 118.325 115.700 0.072 0.000 2.372 745 S HA -0.196 4.273 4.470 -0.001 0.000 0.227 745 S C 2.200 176.864 174.600 0.107 0.000 1.044 745 S CA 2.306 60.549 58.200 0.073 0.000 1.050 745 S CB -0.756 62.468 63.200 0.041 0.000 0.901 745 S HN 0.957 nan 8.310 nan 0.000 0.447 746 T N -0.513 114.093 114.554 0.087 0.000 2.812 746 T HA 0.236 4.585 4.350 -0.001 0.000 0.264 746 T C 1.988 176.748 174.700 0.100 0.000 1.042 746 T CA 1.197 63.350 62.100 0.088 0.000 1.140 746 T CB -0.870 68.040 68.868 0.070 0.000 0.870 746 T HN 0.454 nan 8.240 nan 0.000 0.445 747 A N 1.507 124.368 122.820 0.069 0.000 1.898 747 A HA -0.068 4.251 4.320 -0.001 0.000 0.216 747 A C 2.198 179.737 177.584 -0.075 0.000 1.181 747 A CA 1.964 53.975 52.037 -0.044 0.000 0.620 747 A CB -1.297 17.648 19.000 -0.092 0.000 0.819 747 A HN 0.744 nan 8.150 nan 0.000 0.442 748 H N -0.045 119.012 119.070 -0.022 0.000 2.319 748 H HA -0.183 4.372 4.556 -0.001 0.000 0.297 748 H C 2.086 177.489 175.328 0.124 0.000 1.097 748 H CA 2.468 58.559 56.048 0.072 0.000 1.285 748 H CB -0.206 29.598 29.762 0.070 0.000 1.368 748 H HN 0.589 nan 8.280 nan 0.000 0.495 749 Q N -1.191 118.618 119.800 0.016 0.000 2.119 749 Q HA -0.162 4.177 4.340 -0.001 0.000 0.201 749 Q C 2.222 178.217 176.000 -0.008 0.000 0.972 749 Q CA 1.211 56.986 55.803 -0.046 0.000 0.847 749 Q CB -0.143 28.611 28.738 0.027 0.000 0.903 749 Q HN 0.639 nan 8.270 nan 0.000 0.433 750 H N 0.755 119.803 119.070 -0.035 0.000 2.357 750 H HA -0.065 4.490 4.556 -0.002 0.000 0.301 750 H C 2.036 177.373 175.328 0.016 0.000 1.082 750 H CA 1.236 57.302 56.048 0.030 0.000 1.342 750 H CB 0.030 29.865 29.762 0.122 0.000 1.389 750 H HN 0.280 nan 8.280 nan 0.000 0.511 751 I N 0.119 120.655 120.570 -0.058 0.000 2.179 751 I HA -0.338 3.831 4.170 -0.001 0.000 0.242 751 I C 1.859 177.760 176.117 -0.361 0.000 1.088 751 I CA 1.357 62.533 61.300 -0.207 0.000 1.357 751 I CB -0.319 37.361 38.000 -0.533 0.000 1.051 751 I HN 0.165 nan 8.210 nan 0.000 0.409 752 Y N 0.956 121.044 120.300 -0.353 0.000 2.224 752 Y HA -0.243 4.306 4.550 -0.001 0.000 0.289 752 Y C 2.718 178.443 175.900 -0.291 0.000 1.146 752 Y CA 2.010 59.797 58.100 -0.521 0.000 1.182 752 Y CB -0.705 37.455 38.460 -0.500 0.000 0.983 752 Y HN 0.184 nan 8.280 nan 0.000 0.524 753 T N -1.634 112.879 114.554 -0.069 0.000 2.746 753 T HA -0.261 4.088 4.350 -0.001 0.000 0.267 753 T C 1.501 176.146 174.700 -0.092 0.000 1.039 753 T CA 1.956 63.988 62.100 -0.114 0.000 1.142 753 T CB -0.475 68.322 68.868 -0.118 0.000 0.866 753 T HN 0.443 nan 8.240 nan 0.000 0.444 754 H N 0.917 119.896 119.070 -0.151 0.000 2.326 754 H HA 0.144 4.699 4.556 -0.002 0.000 0.301 754 H C 2.208 177.537 175.328 0.003 0.000 1.081 754 H CA 1.423 57.439 56.048 -0.052 0.000 1.334 754 H CB -0.257 29.441 29.762 -0.107 0.000 1.385 754 H HN 0.227 nan 8.280 nan 0.000 0.504 755 M N -0.606 118.949 119.600 -0.075 0.000 2.149 755 M HA -0.171 4.308 4.480 -0.001 0.000 0.261 755 M C 2.352 178.784 176.300 0.220 0.000 1.064 755 M CA 1.554 56.805 55.300 -0.082 0.000 1.102 755 M CB -0.100 32.178 32.600 -0.536 0.000 1.369 755 M HN 0.222 nan 8.290 nan 0.000 0.408 756 S N -0.605 115.260 115.700 0.275 0.000 2.368 756 S HA -0.155 4.314 4.470 -0.001 0.000 0.224 756 S C 1.591 176.282 174.600 0.151 0.000 1.029 756 S CA 1.264 59.695 58.200 0.385 0.000 0.988 756 S CB -0.585 62.848 63.200 0.388 0.000 0.838 756 S HN 0.557 nan 8.310 nan 0.000 0.462 757 H N -0.414 118.718 119.070 0.104 0.000 2.353 757 H HA -0.044 4.512 4.556 0.000 0.000 0.300 757 H C 1.909 177.238 175.328 0.001 0.000 1.090 757 H CA 1.679 57.741 56.048 0.023 0.000 1.327 757 H CB -0.207 29.523 29.762 -0.052 0.000 1.383 757 H HN 0.379 nan 8.280 nan 0.000 0.508 758 F N 1.045 120.978 119.950 -0.029 0.000 2.075 758 F HA -0.226 4.300 4.527 -0.002 0.000 0.297 758 F C 2.014 177.758 175.800 -0.093 0.000 1.113 758 F CA 1.086 59.036 58.000 -0.084 0.000 1.218 758 F CB -0.214 38.710 39.000 -0.126 0.000 0.984 758 F HN 0.037 nan 8.300 nan 0.000 0.472 759 I N 0.775 121.327 120.570 -0.029 0.000 2.163 759 I HA -0.294 3.875 4.170 -0.001 0.000 0.243 759 I C 2.283 178.152 176.117 -0.413 0.000 1.085 759 I CA 1.570 62.665 61.300 -0.342 0.000 1.347 759 I CB -1.399 36.481 38.000 -0.199 0.000 1.044 759 I HN 0.232 nan 8.210 nan 0.000 0.408 760 K N 0.139 120.466 120.400 -0.120 0.000 2.063 760 K HA -0.231 4.088 4.320 -0.001 0.000 0.208 760 K C 2.134 178.719 176.600 -0.025 0.000 1.048 760 K CA 1.319 57.602 56.287 -0.006 0.000 0.928 760 K CB -0.194 32.354 32.500 0.079 0.000 0.713 760 K HN 0.372 nan 8.250 nan 0.000 0.442 761 Q N 0.478 120.224 119.800 -0.090 0.000 2.079 761 Q HA -0.198 4.141 4.340 -0.001 0.000 0.200 761 Q C 2.345 178.249 176.000 -0.160 0.000 0.974 761 Q CA 1.478 57.218 55.803 -0.105 0.000 0.840 761 Q CB -0.175 28.490 28.738 -0.121 0.000 0.898 761 Q HN 0.441 nan 8.270 nan 0.000 0.430 762 c N 0.129 118.520 118.600 -0.349 0.000 2.413 762 c HA -0.130 4.439 4.570 -0.001 0.000 0.277 762 c C 2.029 176.135 174.090 0.026 0.000 1.265 762 c CA 0.531 56.669 56.329 -0.319 0.000 1.752 762 c CB -1.176 40.960 42.510 -0.624 0.000 1.998 762 c HN 0.556 nan 8.230 nan 0.000 0.489 763 F N 1.571 121.475 119.950 -0.077 0.000 2.765 763 F HA 0.242 4.768 4.527 -0.001 0.000 0.302 763 F C 1.645 177.427 175.800 -0.030 0.000 1.111 763 F CA 0.439 58.417 58.000 -0.036 0.000 1.359 763 F CB -1.235 37.751 39.000 -0.023 0.000 1.097 763 F HN 0.214 nan 8.300 nan 0.000 0.577 764 S N 0.958 116.739 115.700 0.135 0.000 3.682 764 S HA -0.207 4.263 4.470 -0.001 0.000 0.354 764 S C -0.027 174.617 174.600 0.072 0.000 1.034 764 S CA 0.102 58.345 58.200 0.072 0.000 1.084 764 S CB -2.080 61.148 63.200 0.048 0.000 0.903 764 S HN 0.240 nan 8.310 nan 0.000 0.470 765 L N 2.069 123.347 121.223 0.092 0.000 2.265 765 L HA 0.428 4.767 4.340 -0.001 0.000 0.289 765 L C -1.054 175.859 176.870 0.071 0.000 1.033 765 L CA -1.858 53.032 54.840 0.084 0.000 0.814 765 L CB 0.591 42.718 42.059 0.113 0.000 1.203 765 L HN 0.098 nan 8.230 nan 0.000 0.423 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.134 63.100 0.057 0.000 0.800 766 P CB 0.000 31.725 31.700 0.042 0.000 0.726