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 3g0d_1_D DATA FIRST_RESID 41 DATA SEQUENCE KTYTLTDYLK NTYRLKLYSL RWISDHEYLY KQXXNILVFN AEYGNSSVXL DATA SEQUENCE ENSTFDEFGH SINDYSISPD GQFILLEYNY VKQWRHSYTA SYDIYDLNKR DATA SEQUENCE QLITEERIPN NTQWVTWSPV GHKLAYVWNN DIYVKIEPNL PSYRITWTGK DATA SEQUENCE EDIIYNGITD WVYEEEVFSA YSALWWSPNG TFLAYAQFND TEVPLIEYSF DATA SEQUENCE YSDESLQYPK TVRVPYPKAG AVNPTVKFFV VNTDSLSSVT NATSIQITAP DATA SEQUENCE ASMLIGDHYL CDVTWATQER ISLQWLRRIQ NYSVMDIcDY DESSGRWNcL DATA SEQUENCE VARQHIEMST TGWVGRFRPS EPHFTLDGNS FYKIISNEEG YRHIcYFQID DATA SEQUENCE KKDcTFITKG TWEVIGIEAL TSDYLYYISN EYKGMPGGRN LYKIQLSDYT DATA SEQUENCE KVTCLSCELN PERcQYYSVS FSKEAKYYQL RcSGPGLPLY TLHSSVNDKG DATA SEQUENCE LRVLEDNSAL DKMLQNVQMP SKKLDFIILN ETKFWYQMIL PPHFDKSKKY DATA SEQUENCE PLLLDVYAGP CSQKADTVFR LNWATYLAST ENIIVASFDG RGSGYQGDKI DATA SEQUENCE MHAINRRLGT FEVEDQIEAA RQFSKMGFVD NKRIAIWGWS YGGYVTSMVL DATA SEQUENCE GSGSGVFKcG IAVAPVSRWE YYDSVYTERY MGLPTPEDNL DHYRNSTVMS DATA SEQUENCE RAENFKQVEY LLIHGTADDN VHFQQSAQIS KALVDVGVDF QAMWYTDEDH DATA SEQUENCE GIASSTAHQH IYTHMSHFIK QcFSLP 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 41 K HA 0.000 nan 4.320 nan 0.000 0.191 41 K C 0.000 176.674 176.600 0.124 0.000 0.988 41 K CA 0.000 56.351 56.287 0.106 0.000 0.838 41 K CB 0.000 32.567 32.500 0.111 0.000 1.064 42 T N -1.964 112.674 114.554 0.140 0.000 2.950 42 T HA 0.339 4.689 4.350 -0.000 0.000 0.288 42 T C -0.834 174.004 174.700 0.230 0.000 1.035 42 T CA -0.730 61.470 62.100 0.168 0.000 1.028 42 T CB 0.891 69.854 68.868 0.157 0.000 1.109 42 T HN 0.516 nan 8.240 nan 0.000 0.514 43 Y N 3.084 123.457 120.300 0.121 0.000 2.624 43 Y HA 0.340 4.890 4.550 -0.000 0.000 0.354 43 Y C 1.072 177.135 175.900 0.272 0.000 1.051 43 Y CA -0.232 57.979 58.100 0.184 0.000 1.377 43 Y CB -0.396 38.128 38.460 0.108 0.000 1.168 43 Y HN 1.000 nan 8.280 nan 0.000 0.525 44 T N 2.227 116.786 114.554 0.008 0.000 2.788 44 T HA 0.085 4.435 4.350 -0.000 0.000 0.280 44 T C 1.048 175.645 174.700 -0.172 0.000 0.984 44 T CA -0.651 61.486 62.100 0.062 0.000 0.972 44 T CB 1.086 69.959 68.868 0.009 0.000 1.039 44 T HN 0.682 nan 8.240 nan 0.000 0.530 45 L N 0.958 121.907 121.223 -0.457 0.000 2.083 45 L HA 0.015 4.355 4.340 -0.000 0.000 0.209 45 L C 2.583 179.292 176.870 -0.267 0.000 1.083 45 L CA 2.104 56.528 54.840 -0.694 0.000 0.752 45 L CB -1.469 40.033 42.059 -0.927 0.000 0.899 45 L HN 0.959 nan 8.230 nan 0.000 0.433 46 T N -0.767 113.662 114.554 -0.208 0.000 2.821 46 T HA -0.137 4.213 4.350 -0.000 0.000 0.267 46 T C 1.471 176.076 174.700 -0.158 0.000 1.046 46 T CA 1.314 63.326 62.100 -0.146 0.000 1.139 46 T CB -0.373 68.433 68.868 -0.103 0.000 0.871 46 T HN 0.385 nan 8.240 nan 0.000 0.454 47 D N 0.384 120.655 120.400 -0.215 0.000 2.123 47 D HA -0.101 4.539 4.640 -0.000 0.000 0.196 47 D C 1.750 177.949 176.300 -0.167 0.000 0.992 47 D CA 1.079 54.925 54.000 -0.256 0.000 0.833 47 D CB -0.400 40.164 40.800 -0.393 0.000 0.954 47 D HN 0.435 nan 8.370 nan 0.000 0.455 48 Y N 1.406 121.517 120.300 -0.314 0.000 2.200 48 Y HA -0.088 4.462 4.550 -0.000 0.000 0.290 48 Y C 2.150 178.044 175.900 -0.010 0.000 1.137 48 Y CA 1.167 59.249 58.100 -0.029 0.000 1.163 48 Y CB -0.468 38.022 38.460 0.050 0.000 0.988 48 Y HN -0.099 nan 8.280 nan 0.000 0.518 49 L N -0.303 120.758 121.223 -0.269 0.000 2.217 49 L HA -0.110 4.230 4.340 -0.000 0.000 0.211 49 L C 1.643 178.400 176.870 -0.189 0.000 1.107 49 L CA 1.265 55.915 54.840 -0.316 0.000 0.783 49 L CB -0.272 41.668 42.059 -0.200 0.000 0.919 49 L HN 0.000 nan 8.230 nan 0.000 0.442 50 K N -0.168 120.146 120.400 -0.143 0.000 2.358 50 K HA 0.130 4.450 4.320 -0.000 0.000 0.197 50 K C -0.044 176.503 176.600 -0.088 0.000 1.025 50 K CA -0.110 56.115 56.287 -0.103 0.000 1.104 50 K CB 0.061 32.503 32.500 -0.096 0.000 0.855 50 K HN 0.032 nan 8.250 nan 0.000 0.531 51 N N -0.219 118.437 118.700 -0.074 0.000 2.727 51 N HA -0.199 4.540 4.740 -0.000 0.000 0.249 51 N C 0.046 175.534 175.510 -0.037 0.000 1.048 51 N CA 0.965 54.010 53.050 -0.009 0.000 0.714 51 N CB -1.198 37.283 38.487 -0.010 0.000 0.959 51 N HN 0.152 nan 8.380 nan 0.000 0.544 52 T N -1.259 113.219 114.554 -0.126 0.000 2.803 52 T HA -0.200 4.150 4.350 -0.000 0.000 0.269 52 T C 0.294 174.719 174.700 -0.458 0.000 1.052 52 T CA 1.466 63.347 62.100 -0.364 0.000 1.136 52 T CB -0.163 68.350 68.868 -0.592 0.000 0.864 52 T HN 0.389 nan 8.240 nan 0.000 0.467 53 Y N 1.748 122.147 120.300 0.164 0.000 2.555 53 Y HA 0.433 4.982 4.550 -0.000 0.000 0.326 53 Y C 0.279 176.285 175.900 0.177 0.000 0.984 53 Y CA -1.274 56.939 58.100 0.188 0.000 1.298 53 Y CB 0.577 39.201 38.460 0.274 0.000 1.094 53 Y HN -0.144 nan 8.280 nan 0.000 0.500 54 R N 3.249 123.885 120.500 0.227 0.000 2.349 54 R HA 0.500 4.840 4.340 -0.000 0.000 0.299 54 R C -0.919 175.490 176.300 0.182 0.000 1.027 54 R CA -0.876 55.328 56.100 0.173 0.000 0.958 54 R CB 1.589 31.950 30.300 0.100 0.000 1.047 54 R HN 0.601 nan 8.270 nan 0.000 0.468 55 L N 3.393 124.725 121.223 0.181 0.000 2.281 55 L HA 0.257 4.597 4.340 -0.000 0.000 0.285 55 L C 0.266 177.224 176.870 0.146 0.000 1.074 55 L CA -0.562 54.388 54.840 0.183 0.000 0.817 55 L CB 0.536 42.726 42.059 0.218 0.000 1.168 55 L HN 0.260 nan 8.230 nan 0.000 0.434 56 K N 2.934 123.417 120.400 0.137 0.000 2.237 56 K HA 0.568 4.888 4.320 -0.000 0.000 0.270 56 K C -0.653 175.996 176.600 0.082 0.000 1.015 56 K CA -0.043 56.303 56.287 0.099 0.000 0.949 56 K CB 0.833 33.390 32.500 0.096 0.000 0.976 56 K HN 0.252 nan 8.250 nan 0.000 0.472 57 L N 1.238 122.427 121.223 -0.057 0.000 2.256 57 L HA 0.468 4.808 4.340 -0.000 0.000 0.261 57 L C -0.991 175.586 176.870 -0.488 0.000 1.022 57 L CA -0.674 53.943 54.840 -0.373 0.000 0.828 57 L CB 0.886 42.864 42.059 -0.136 0.000 1.374 57 L HN 0.496 nan 8.230 nan 0.000 0.436 58 Y N 0.198 119.877 120.300 -1.034 0.000 2.535 58 Y HA 0.376 4.926 4.550 -0.000 0.000 0.351 58 Y C -0.120 175.595 175.900 -0.309 0.000 1.050 58 Y CA -0.373 57.381 58.100 -0.577 0.000 1.168 58 Y CB 1.303 39.328 38.460 -0.724 0.000 1.116 58 Y HN 0.482 nan 8.280 nan 0.000 0.654 59 S N 4.835 120.481 115.700 -0.091 0.000 2.416 59 S HA 0.436 4.906 4.470 -0.000 0.000 0.302 59 S C -0.401 174.184 174.600 -0.025 0.000 1.120 59 S CA -0.599 57.586 58.200 -0.025 0.000 1.067 59 S CB -0.858 62.344 63.200 0.003 0.000 1.057 59 S HN 0.566 nan 8.310 nan 0.000 0.518 60 L N 3.919 125.071 121.223 -0.118 0.000 2.365 60 L HA 0.831 5.171 4.340 -0.000 0.000 0.267 60 L C -0.117 176.669 176.870 -0.141 0.000 1.033 60 L CA -0.686 54.030 54.840 -0.207 0.000 0.802 60 L CB 0.755 42.357 42.059 -0.762 0.000 1.267 60 L HN 0.556 nan 8.230 nan 0.000 0.457 61 R N -0.089 120.361 120.500 -0.084 0.000 2.539 61 R HA 0.305 4.645 4.340 -0.000 0.000 0.295 61 R C -2.046 174.320 176.300 0.110 0.000 1.138 61 R CA -0.483 55.638 56.100 0.035 0.000 0.936 61 R CB 0.071 30.436 30.300 0.109 0.000 1.182 61 R HN 0.749 nan 8.270 nan 0.000 0.459 62 W N 4.161 125.598 121.300 0.228 0.000 2.692 62 W HA 0.078 4.738 4.660 -0.000 0.000 0.339 62 W C 1.252 177.900 176.519 0.215 0.000 1.415 62 W CA -0.661 56.835 57.345 0.253 0.000 1.389 62 W CB 0.300 29.893 29.460 0.222 0.000 1.492 62 W HN 0.546 nan 8.180 nan 0.000 0.545 63 I N 1.928 122.756 120.570 0.430 0.000 2.353 63 I HA -0.123 4.047 4.170 -0.000 0.000 0.248 63 I C 1.494 177.790 176.117 0.298 0.000 1.119 63 I CA 1.155 62.633 61.300 0.296 0.000 1.417 63 I CB -1.437 36.693 38.000 0.217 0.000 1.078 63 I HN 0.377 nan 8.210 nan 0.000 0.421 64 S N -0.817 115.115 115.700 0.387 0.000 2.998 64 S HA 0.285 4.755 4.470 -0.000 0.000 0.321 64 S C 0.357 175.151 174.600 0.324 0.000 1.171 64 S CA -0.434 57.956 58.200 0.316 0.000 0.882 64 S CB 1.788 65.153 63.200 0.275 0.000 1.301 64 S HN 0.020 nan 8.310 nan 0.000 0.629 65 D N -1.010 119.524 120.400 0.222 0.000 2.347 65 D HA 0.129 4.769 4.640 -0.000 0.000 0.213 65 D C 1.056 177.328 176.300 -0.048 0.000 0.985 65 D CA 0.963 54.985 54.000 0.036 0.000 0.879 65 D CB -0.002 40.809 40.800 0.019 0.000 0.919 65 D HN 0.593 nan 8.370 nan 0.000 0.526 66 H N -1.171 118.048 119.070 0.249 0.000 3.255 66 H HA 0.338 4.894 4.556 -0.000 0.000 0.256 66 H C -0.059 175.443 175.328 0.290 0.000 1.049 66 H CA 0.116 56.278 56.048 0.190 0.000 1.202 66 H CB 1.164 30.997 29.762 0.118 0.000 1.497 66 H HN 0.124 nan 8.280 nan 0.000 0.503 67 E N 0.512 121.016 120.200 0.507 0.000 2.343 67 E HA 0.383 4.733 4.350 -0.000 0.000 0.270 67 E C -1.388 175.461 176.600 0.415 0.000 0.895 67 E CA -0.867 55.731 56.400 0.330 0.000 0.767 67 E CB 2.829 32.641 29.700 0.186 0.000 1.248 67 E HN 0.130 nan 8.360 nan 0.000 0.440 68 Y N -0.583 119.787 120.300 0.117 0.000 2.689 68 Y HA 0.687 5.237 4.550 -0.000 0.000 0.333 68 Y C -1.706 174.242 175.900 0.079 0.000 1.190 68 Y CA -1.352 56.713 58.100 -0.059 0.000 1.063 68 Y CB 0.820 38.872 38.460 -0.681 0.000 1.294 68 Y HN 0.367 nan 8.280 nan 0.000 0.466 69 L N 1.472 122.912 121.223 0.362 0.000 2.332 69 L HA 0.630 4.970 4.340 -0.000 0.000 0.269 69 L C -1.346 175.804 176.870 0.467 0.000 1.016 69 L CA -1.124 53.921 54.840 0.342 0.000 0.809 69 L CB 2.035 44.257 42.059 0.271 0.000 1.280 69 L HN 0.806 nan 8.230 nan 0.000 0.447 70 Y N 0.599 121.029 120.300 0.217 0.000 2.641 70 Y HA 0.240 4.789 4.550 -0.000 0.000 0.333 70 Y C -1.101 174.827 175.900 0.047 0.000 1.174 70 Y CA -1.385 56.748 58.100 0.055 0.000 1.057 70 Y CB 1.649 40.059 38.460 -0.084 0.000 1.322 70 Y HN 0.405 nan 8.280 nan 0.000 0.457 71 K N 4.714 124.619 120.400 -0.825 0.000 2.300 71 K HA 0.323 4.643 4.320 -0.000 0.000 0.264 71 K C -0.790 175.478 176.600 -0.553 0.000 1.083 71 K CA -0.408 55.548 56.287 -0.552 0.000 0.958 71 K CB 0.433 32.672 32.500 -0.435 0.000 1.318 71 K HN 0.644 nan 8.250 nan 0.000 0.448 76 I N 1.690 122.163 120.570 -0.161 0.000 2.371 76 I HA 0.408 4.577 4.170 -0.000 0.000 0.290 76 I C -0.618 175.435 176.117 -0.106 0.000 1.028 76 I CA -0.442 60.764 61.300 -0.157 0.000 1.345 76 I CB 0.430 38.264 38.000 -0.276 0.000 1.407 76 I HN 0.252 nan 8.210 nan 0.000 0.501 77 L N 7.031 128.232 121.223 -0.037 0.000 2.408 77 L HA 0.493 4.833 4.340 -0.000 0.000 0.268 77 L C -0.167 176.645 176.870 -0.097 0.000 0.986 77 L CA -0.707 54.066 54.840 -0.111 0.000 0.820 77 L CB 2.077 44.041 42.059 -0.158 0.000 1.303 77 L HN 0.369 nan 8.230 nan 0.000 0.411 78 V N -0.958 118.822 119.914 -0.224 0.000 2.834 78 V HA 0.607 4.726 4.120 -0.000 0.000 0.301 78 V C -0.607 175.199 176.094 -0.479 0.000 1.066 78 V CA -0.370 61.809 62.300 -0.201 0.000 1.052 78 V CB 1.083 32.823 31.823 -0.139 0.000 1.021 78 V HN 0.475 nan 8.190 nan 0.000 0.480 79 F N 1.258 120.972 119.950 -0.395 0.000 2.578 79 F HA 0.508 5.035 4.527 -0.000 0.000 0.311 79 F C 0.055 175.600 175.800 -0.425 0.000 1.094 79 F CA -0.661 57.032 58.000 -0.512 0.000 0.923 79 F CB 2.074 40.505 39.000 -0.949 0.000 1.230 79 F HN 0.617 nan 8.300 nan 0.000 0.450 80 N N 1.210 119.891 118.700 -0.031 0.000 2.518 80 N HA 0.541 5.281 4.740 -0.000 0.000 0.283 80 N C 0.102 175.653 175.510 0.067 0.000 1.119 80 N CA 0.139 53.211 53.050 0.036 0.000 0.983 80 N CB 1.892 40.415 38.487 0.059 0.000 1.139 80 N HN 0.722 nan 8.380 nan 0.000 0.465 81 A N 2.709 125.572 122.820 0.071 0.000 2.085 81 A HA 0.093 4.413 4.320 -0.000 0.000 0.208 81 A C 1.686 179.027 177.584 -0.405 0.000 1.191 81 A CA 0.087 52.084 52.037 -0.066 0.000 0.799 81 A CB -0.275 18.749 19.000 0.040 0.000 0.877 81 A HN 0.695 nan 8.150 nan 0.000 0.473 82 E N -0.858 119.195 120.200 -0.244 0.000 2.047 82 E HA -0.142 4.208 4.350 -0.000 0.000 0.191 82 E C 1.065 177.644 176.600 -0.035 0.000 0.987 82 E CA 1.449 57.782 56.400 -0.112 0.000 0.799 82 E CB -0.120 29.720 29.700 0.234 0.000 0.752 82 E HN 0.687 nan 8.360 nan 0.000 0.449 83 Y N -1.894 118.393 120.300 -0.021 0.000 2.680 83 Y HA 0.285 4.835 4.550 -0.000 0.000 0.217 83 Y C 1.848 177.745 175.900 -0.005 0.000 1.016 83 Y CA 1.039 59.137 58.100 -0.003 0.000 1.430 83 Y CB 0.626 39.087 38.460 0.003 0.000 1.168 83 Y HN 0.134 nan 8.280 nan 0.000 0.486 84 G N -1.222 107.711 108.800 0.223 0.000 3.942 84 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.219 84 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.219 84 G C -0.977 174.012 174.900 0.149 0.000 0.869 84 G CA -0.282 44.907 45.100 0.147 0.000 0.851 84 G HN 0.341 nan 8.290 nan 0.000 0.560 85 N N 2.314 121.075 118.700 0.101 0.000 2.497 85 N HA 0.387 5.127 4.740 -0.000 0.000 0.268 85 N C 0.461 175.936 175.510 -0.057 0.000 1.171 85 N CA 0.665 53.727 53.050 0.019 0.000 0.948 85 N CB 1.325 39.786 38.487 -0.044 0.000 1.069 85 N HN 0.453 nan 8.380 nan 0.000 0.460 86 S N 0.904 116.506 115.700 -0.162 0.000 2.645 86 S HA 0.443 4.913 4.470 -0.000 0.000 0.266 86 S C 0.558 174.977 174.600 -0.302 0.000 1.258 86 S CA -0.266 57.670 58.200 -0.440 0.000 0.990 86 S CB 0.767 63.425 63.200 -0.903 0.000 0.967 86 S HN 0.823 nan 8.310 nan 0.000 0.556 87 S N -1.577 113.927 115.700 -0.327 0.000 3.067 87 S HA 0.400 4.870 4.470 -0.000 0.000 0.253 87 S C 0.173 174.648 174.600 -0.208 0.000 0.942 87 S CA -0.120 57.950 58.200 -0.216 0.000 1.197 87 S CB -1.127 61.978 63.200 -0.158 0.000 1.143 87 S HN 1.239 nan 8.310 nan 0.000 0.638 91 E N 1.783 121.859 120.200 -0.206 0.000 2.478 91 E HA 0.211 4.561 4.350 -0.000 0.000 0.293 91 E C -0.584 175.920 176.600 -0.160 0.000 1.011 91 E CA -0.332 55.947 56.400 -0.201 0.000 0.834 91 E CB 1.202 30.781 29.700 -0.201 0.000 1.226 91 E HN 0.575 nan 8.360 nan 0.000 0.419 92 N N 1.457 120.069 118.700 -0.147 0.000 2.461 92 N HA -0.060 4.680 4.740 -0.000 0.000 0.188 92 N C 0.533 176.033 175.510 -0.016 0.000 1.134 92 N CA 0.916 53.922 53.050 -0.073 0.000 0.878 92 N CB 0.355 38.766 38.487 -0.126 0.000 0.972 92 N HN 0.268 nan 8.380 nan 0.000 0.456 93 S N -2.872 112.789 115.700 -0.065 0.000 2.666 93 S HA 0.145 4.615 4.470 -0.000 0.000 0.239 93 S C 1.173 175.699 174.600 -0.123 0.000 1.031 93 S CA -0.381 57.782 58.200 -0.062 0.000 1.015 93 S CB -0.120 63.041 63.200 -0.066 0.000 0.981 93 S HN 0.047 nan 8.310 nan 0.000 0.547 94 T N 2.140 116.537 114.554 -0.262 0.000 2.833 94 T HA 0.108 4.458 4.350 -0.000 0.000 0.269 94 T C 0.039 174.451 174.700 -0.481 0.000 1.054 94 T CA 0.986 62.822 62.100 -0.439 0.000 1.135 94 T CB -0.541 67.926 68.868 -0.669 0.000 0.869 94 T HN 0.556 nan 8.240 nan 0.000 0.466 95 F N 2.033 121.871 119.950 -0.186 0.000 2.666 95 F HA 0.270 4.796 4.527 -0.000 0.000 0.362 95 F C 1.243 177.019 175.800 -0.040 0.000 1.190 95 F CA -0.990 56.919 58.000 -0.152 0.000 1.328 95 F CB -0.457 38.302 39.000 -0.401 0.000 1.682 95 F HN 0.040 nan 8.300 nan 0.000 0.623 96 D N 0.897 121.337 120.400 0.067 0.000 2.162 96 D HA -0.107 4.533 4.640 -0.000 0.000 0.205 96 D C 1.224 177.578 176.300 0.091 0.000 0.964 96 D CA 1.147 55.181 54.000 0.057 0.000 0.847 96 D CB 0.216 41.015 40.800 -0.002 0.000 0.988 96 D HN 0.424 nan 8.370 nan 0.000 0.480 97 E N -0.778 119.481 120.200 0.097 0.000 2.335 97 E HA 0.065 4.415 4.350 -0.000 0.000 0.191 97 E C 0.512 177.196 176.600 0.140 0.000 1.077 97 E CA -0.402 56.048 56.400 0.083 0.000 1.010 97 E CB -0.120 29.607 29.700 0.045 0.000 1.141 97 E HN 0.359 nan 8.360 nan 0.000 0.452 98 F N 0.431 120.412 119.950 0.052 0.000 2.206 98 F HA -0.029 4.498 4.527 -0.000 0.000 0.298 98 F C 1.791 177.578 175.800 -0.022 0.000 1.090 98 F CA 1.779 59.825 58.000 0.077 0.000 1.323 98 F CB 0.308 39.364 39.000 0.092 0.000 1.028 98 F HN 0.231 nan 8.300 nan 0.000 0.492 99 G N -1.160 107.633 108.800 -0.012 0.000 2.399 99 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.216 99 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.216 99 G C 0.367 175.099 174.900 -0.280 0.000 1.096 99 G CA 0.148 45.092 45.100 -0.260 0.000 0.650 99 G HN 0.475 nan 8.290 nan 0.000 0.512 100 H N 0.444 119.570 119.070 0.094 0.000 2.559 100 H HA 0.672 5.228 4.556 -0.000 0.000 0.343 100 H C -0.294 175.132 175.328 0.162 0.000 1.209 100 H CA 0.304 56.427 56.048 0.125 0.000 1.287 100 H CB 1.540 31.297 29.762 -0.009 0.000 1.650 100 H HN 0.210 nan 8.280 nan 0.000 0.567 101 S N 1.587 117.440 115.700 0.254 0.000 2.438 101 S HA 0.218 4.688 4.470 -0.000 0.000 0.293 101 S C 0.034 174.698 174.600 0.106 0.000 1.141 101 S CA -0.886 57.396 58.200 0.136 0.000 1.080 101 S CB -0.376 62.886 63.200 0.104 0.000 0.978 101 S HN 0.285 nan 8.310 nan 0.000 0.479 102 I N 5.302 125.872 120.570 0.001 0.000 2.471 102 I HA 0.130 4.300 4.170 -0.000 0.000 0.286 102 I C 1.292 177.395 176.117 -0.024 0.000 1.079 102 I CA 0.130 61.395 61.300 -0.059 0.000 1.398 102 I CB 0.396 38.293 38.000 -0.172 0.000 1.403 102 I HN 0.737 nan 8.210 nan 0.000 0.530 103 N N 3.842 122.533 118.700 -0.016 0.000 2.387 103 N HA -0.016 4.724 4.740 -0.000 0.000 0.176 103 N C -0.078 175.385 175.510 -0.078 0.000 1.022 103 N CA 0.823 53.826 53.050 -0.079 0.000 0.883 103 N CB 0.559 38.974 38.487 -0.120 0.000 1.019 103 N HN 0.684 nan 8.380 nan 0.000 0.435 104 D N -2.164 118.227 120.400 -0.015 0.000 2.653 104 D HA 0.157 4.796 4.640 -0.000 0.000 0.258 104 D C -1.642 174.719 176.300 0.103 0.000 1.252 104 D CA -0.508 53.504 54.000 0.019 0.000 0.777 104 D CB 0.970 41.761 40.800 -0.015 0.000 1.339 104 D HN 0.080 nan 8.370 nan 0.000 0.422 105 Y N -0.926 119.382 120.300 0.014 0.000 2.570 105 Y HA 0.781 5.331 4.550 -0.000 0.000 0.345 105 Y C -1.019 174.951 175.900 0.116 0.000 1.014 105 Y CA -0.954 57.166 58.100 0.034 0.000 1.063 105 Y CB 1.937 40.393 38.460 -0.007 0.000 1.272 105 Y HN 0.123 nan 8.280 nan 0.000 0.477 106 S N 3.399 119.259 115.700 0.267 0.000 2.750 106 S HA 0.529 4.999 4.470 -0.000 0.000 0.276 106 S C -1.431 173.467 174.600 0.497 0.000 1.165 106 S CA -0.715 57.664 58.200 0.299 0.000 1.047 106 S CB 0.086 63.471 63.200 0.309 0.000 1.056 106 S HN 0.610 nan 8.310 nan 0.000 0.481 107 I N 4.522 125.274 120.570 0.302 0.000 2.529 107 I HA 0.223 4.393 4.170 -0.000 0.000 0.284 107 I C 1.157 177.062 176.117 -0.354 0.000 1.082 107 I CA -0.212 61.139 61.300 0.085 0.000 1.406 107 I CB 0.879 38.942 38.000 0.105 0.000 1.405 107 I HN 0.766 nan 8.210 nan 0.000 0.548 108 S N 6.501 121.657 115.700 -0.906 0.000 2.549 108 S HA 0.200 4.670 4.470 -0.000 0.000 0.283 108 S C -1.800 172.489 174.600 -0.518 0.000 1.320 108 S CA -0.958 56.381 58.200 -1.436 0.000 1.058 108 S CB 0.791 63.068 63.200 -1.538 0.000 0.882 108 S HN 0.431 nan 8.310 nan 0.000 0.498 109 P HA -0.135 nan 4.420 nan 0.000 0.222 109 P C 0.800 178.058 177.300 -0.070 0.000 1.142 109 P CA 1.292 64.326 63.100 -0.110 0.000 0.788 109 P CB -0.077 31.591 31.700 -0.055 0.000 0.767 110 D N -1.919 118.425 120.400 -0.094 0.000 2.333 110 D HA 0.049 4.689 4.640 -0.000 0.000 0.208 110 D C 1.373 177.639 176.300 -0.056 0.000 0.984 110 D CA 0.853 54.834 54.000 -0.032 0.000 0.873 110 D CB -1.061 39.766 40.800 0.044 0.000 0.935 110 D HN 0.150 nan 8.370 nan 0.000 0.521 111 G N 0.625 109.361 108.800 -0.107 0.000 2.160 111 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.244 111 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.244 111 G C 0.687 175.490 174.900 -0.163 0.000 1.022 111 G CA 0.497 45.533 45.100 -0.106 0.000 0.741 111 G HN 0.457 nan 8.290 nan 0.000 0.508 112 Q N -1.828 117.828 119.800 -0.240 0.000 2.378 112 Q HA 0.423 4.763 4.340 -0.000 0.000 0.229 112 Q C 0.014 175.511 176.000 -0.837 0.000 0.882 112 Q CA 0.538 56.031 55.803 -0.517 0.000 0.936 112 Q CB 0.720 29.106 28.738 -0.588 0.000 1.092 112 Q HN 0.532 nan 8.270 nan 0.000 0.535 113 F N -0.111 119.742 119.950 -0.160 0.000 2.578 113 F HA 0.479 5.006 4.527 -0.000 0.000 0.311 113 F C -0.677 175.124 175.800 0.001 0.000 1.094 113 F CA -1.021 56.953 58.000 -0.044 0.000 0.923 113 F CB 1.792 40.801 39.000 0.014 0.000 1.230 113 F HN -0.186 nan 8.300 nan 0.000 0.450 114 I N 3.611 124.421 120.570 0.400 0.000 2.433 114 I HA 0.507 4.677 4.170 -0.000 0.000 0.292 114 I C -1.653 174.768 176.117 0.507 0.000 1.001 114 I CA -1.099 60.440 61.300 0.399 0.000 1.119 114 I CB 1.458 39.623 38.000 0.276 0.000 1.289 114 I HN 0.518 nan 8.210 nan 0.000 0.438 115 L N 8.377 129.937 121.223 0.561 0.000 2.275 115 L HA 0.518 4.857 4.340 -0.000 0.000 0.288 115 L C -1.275 175.744 176.870 0.248 0.000 1.046 115 L CA -0.087 54.978 54.840 0.376 0.000 0.805 115 L CB 1.127 43.319 42.059 0.221 0.000 1.193 115 L HN 0.483 nan 8.230 nan 0.000 0.426 116 L N 4.764 126.104 121.223 0.194 0.000 2.322 116 L HA 0.521 4.861 4.340 -0.000 0.000 0.281 116 L C -0.228 176.762 176.870 0.201 0.000 1.014 116 L CA -0.475 54.400 54.840 0.058 0.000 0.815 116 L CB 1.750 43.647 42.059 -0.270 0.000 1.247 116 L HN 0.611 nan 8.230 nan 0.000 0.421 117 E N 3.492 123.759 120.200 0.113 0.000 2.133 117 E HA 0.447 4.797 4.350 -0.000 0.000 0.274 117 E C -1.671 174.949 176.600 0.034 0.000 0.930 117 E CA -0.521 55.849 56.400 -0.051 0.000 0.770 117 E CB 1.124 30.861 29.700 0.061 0.000 1.104 117 E HN 0.431 nan 8.360 nan 0.000 0.403 118 Y N 1.718 121.868 120.300 -0.249 0.000 2.689 118 Y HA 0.464 5.014 4.550 -0.000 0.000 0.333 118 Y C -0.200 175.627 175.900 -0.122 0.000 1.190 118 Y CA -1.675 56.356 58.100 -0.116 0.000 1.063 118 Y CB 0.519 38.965 38.460 -0.024 0.000 1.294 118 Y HN 0.495 nan 8.280 nan 0.000 0.466 119 N N -0.652 118.045 118.700 -0.006 0.000 2.747 119 N HA -0.292 4.447 4.740 -0.000 0.000 0.249 119 N C -1.038 174.445 175.510 -0.045 0.000 1.107 119 N CA 0.957 53.964 53.050 -0.072 0.000 0.707 119 N CB -1.845 36.490 38.487 -0.252 0.000 1.054 119 N HN 0.879 nan 8.380 nan 0.000 0.555 120 Y N 0.316 120.555 120.300 -0.103 0.000 2.632 120 Y HA 0.288 4.838 4.550 -0.000 0.000 0.329 120 Y C -0.001 175.873 175.900 -0.043 0.000 1.174 120 Y CA -0.016 58.030 58.100 -0.090 0.000 1.469 120 Y CB 0.665 39.023 38.460 -0.169 0.000 1.242 120 Y HN -0.015 nan 8.280 nan 0.000 0.540 121 V N 8.053 127.641 119.914 -0.543 0.000 2.447 121 V HA 0.190 4.309 4.120 -0.000 0.000 0.292 121 V C -0.280 175.435 176.094 -0.632 0.000 1.021 121 V CA -1.435 60.590 62.300 -0.459 0.000 0.850 121 V CB 1.239 32.934 31.823 -0.214 0.000 1.005 121 V HN 0.747 nan 8.190 nan 0.000 0.426 122 K N 3.592 123.592 120.400 -0.667 0.000 2.448 122 K HA 0.146 4.466 4.320 -0.000 0.000 0.278 122 K C 0.543 176.965 176.600 -0.296 0.000 1.009 122 K CA 0.287 56.339 56.287 -0.392 0.000 0.995 122 K CB 1.128 33.581 32.500 -0.078 0.000 0.917 122 K HN 0.820 nan 8.250 nan 0.000 0.481 123 Q N 3.252 122.852 119.800 -0.332 0.000 2.263 123 Q HA 0.133 4.473 4.340 -0.000 0.000 0.218 123 Q C 0.004 175.690 176.000 -0.524 0.000 0.992 123 Q CA -0.021 55.390 55.803 -0.653 0.000 0.844 123 Q CB 0.043 28.257 28.738 -0.873 0.000 1.126 123 Q HN 0.725 nan 8.270 nan 0.000 0.547 124 W N -0.327 120.948 121.300 -0.041 0.000 1.961 124 W HA 0.408 5.068 4.660 -0.000 0.000 0.637 124 W C 1.809 178.293 176.519 -0.059 0.000 1.366 124 W CA -0.786 56.555 57.345 -0.007 0.000 1.140 124 W CB -0.225 29.195 29.460 -0.066 0.000 3.438 124 W HN 0.169 nan 8.180 nan 0.000 0.760 125 R N -0.556 120.014 120.500 0.117 0.000 2.081 125 R HA -0.145 4.195 4.340 -0.000 0.000 0.235 125 R C 1.773 177.903 176.300 -0.283 0.000 1.131 125 R CA 1.846 57.842 56.100 -0.172 0.000 0.960 125 R CB -0.392 29.654 30.300 -0.423 0.000 0.856 125 R HN 0.500 nan 8.270 nan 0.000 0.436 126 H N -1.189 117.943 119.070 0.103 0.000 2.594 126 H HA 0.145 4.701 4.556 -0.000 0.000 0.274 126 H C 0.647 176.052 175.328 0.127 0.000 0.982 126 H CA 0.518 56.650 56.048 0.139 0.000 1.228 126 H CB 0.038 29.858 29.762 0.097 0.000 1.447 126 H HN 0.138 nan 8.280 nan 0.000 0.485 127 S N 1.545 117.212 115.700 -0.056 0.000 2.572 127 S HA 0.311 4.781 4.470 -0.000 0.000 0.279 127 S C -0.248 174.195 174.600 -0.263 0.000 1.341 127 S CA -0.419 57.404 58.200 -0.628 0.000 1.043 127 S CB 0.330 62.688 63.200 -1.404 0.000 0.887 127 S HN 0.460 nan 8.310 nan 0.000 0.516 128 Y N -2.105 118.029 120.300 -0.277 0.000 2.779 128 Y HA 0.744 5.294 4.550 -0.000 0.000 0.340 128 Y C -0.721 175.150 175.900 -0.049 0.000 1.252 128 Y CA -1.163 56.793 58.100 -0.241 0.000 1.072 128 Y CB 0.918 39.197 38.460 -0.303 0.000 1.343 128 Y HN 0.632 nan 8.280 nan 0.000 0.450 129 T N 0.955 115.557 114.554 0.080 0.000 2.908 129 T HA 0.924 5.274 4.350 -0.000 0.000 0.290 129 T C -1.136 173.637 174.700 0.123 0.000 1.034 129 T CA 0.119 62.275 62.100 0.094 0.000 1.010 129 T CB 1.245 70.117 68.868 0.006 0.000 1.068 129 T HN 1.373 nan 8.240 nan 0.000 0.481 130 A N 1.635 124.497 122.820 0.069 0.000 2.586 130 A HA 0.747 5.067 4.320 -0.000 0.000 0.290 130 A C -0.942 176.381 177.584 -0.434 0.000 1.086 130 A CA -0.710 51.216 52.037 -0.185 0.000 0.665 130 A CB 1.271 20.149 19.000 -0.203 0.000 1.279 130 A HN 0.673 nan 8.150 nan 0.000 0.423 131 S N -0.455 114.775 115.700 -0.783 0.000 2.565 131 S HA 0.773 5.242 4.470 -0.000 0.000 0.290 131 S C -1.447 172.452 174.600 -1.168 0.000 1.150 131 S CA -0.039 57.601 58.200 -0.934 0.000 1.058 131 S CB 0.576 63.029 63.200 -1.245 0.000 1.032 131 S HN 0.439 nan 8.310 nan 0.000 0.510 132 Y N 0.350 120.447 120.300 -0.339 0.000 2.477 132 Y HA 0.494 5.044 4.550 -0.000 0.000 0.347 132 Y C -0.416 175.543 175.900 0.098 0.000 0.981 132 Y CA -0.955 57.099 58.100 -0.077 0.000 1.033 132 Y CB 1.796 40.141 38.460 -0.191 0.000 1.245 132 Y HN 0.479 nan 8.280 nan 0.000 0.455 133 D N 2.634 123.278 120.400 0.407 0.000 2.738 133 D HA 0.570 5.210 4.640 -0.000 0.000 0.237 133 D C -0.928 175.551 176.300 0.297 0.000 1.123 133 D CA -0.335 53.865 54.000 0.334 0.000 0.856 133 D CB 2.503 43.611 40.800 0.514 0.000 1.552 133 D HN 0.384 nan 8.370 nan 0.000 0.480 134 I N 1.445 122.142 120.570 0.211 0.000 2.493 134 I HA 0.371 4.541 4.170 -0.000 0.000 0.298 134 I C -0.908 175.376 176.117 0.280 0.000 0.998 134 I CA -0.845 60.624 61.300 0.282 0.000 1.137 134 I CB 1.267 39.377 38.000 0.184 0.000 1.310 134 I HN 0.152 nan 8.210 nan 0.000 0.445 135 Y N 2.541 123.027 120.300 0.310 0.000 2.409 135 Y HA 0.231 4.781 4.550 -0.000 0.000 0.343 135 Y C 0.135 176.236 175.900 0.336 0.000 0.973 135 Y CA -0.865 57.424 58.100 0.314 0.000 1.064 135 Y CB 1.503 40.168 38.460 0.342 0.000 1.207 135 Y HN 0.461 nan 8.280 nan 0.000 0.452 136 D N 4.068 124.669 120.400 0.334 0.000 2.348 136 D HA -0.015 4.625 4.640 -0.000 0.000 0.259 136 D C 1.003 177.285 176.300 -0.031 0.000 1.296 136 D CA 0.459 54.457 54.000 -0.003 0.000 0.931 136 D CB 0.747 41.540 40.800 -0.010 0.000 1.067 136 D HN 0.769 nan 8.370 nan 0.000 0.503 137 L N 4.446 125.594 121.223 -0.125 0.000 2.261 137 L HA -0.167 4.173 4.340 -0.000 0.000 0.216 137 L C 1.872 178.690 176.870 -0.087 0.000 1.114 137 L CA 0.918 55.729 54.840 -0.048 0.000 0.777 137 L CB -0.014 41.998 42.059 -0.078 0.000 0.910 137 L HN 0.421 nan 8.230 nan 0.000 0.440 138 N N -0.846 117.765 118.700 -0.148 0.000 2.415 138 N HA -0.075 4.664 4.740 -0.000 0.000 0.176 138 N C 1.090 176.555 175.510 -0.074 0.000 1.042 138 N CA 0.675 53.655 53.050 -0.117 0.000 0.902 138 N CB 0.291 38.691 38.487 -0.145 0.000 0.986 138 N HN 0.405 nan 8.380 nan 0.000 0.447 139 K N 0.326 120.697 120.400 -0.048 0.000 2.373 139 K HA 0.263 4.582 4.320 -0.000 0.000 0.200 139 K C 0.064 176.685 176.600 0.035 0.000 1.054 139 K CA -0.189 56.091 56.287 -0.012 0.000 1.065 139 K CB 0.982 33.477 32.500 -0.008 0.000 0.886 139 K HN -0.041 nan 8.250 nan 0.000 0.546 140 R N 1.500 122.046 120.500 0.076 0.000 3.946 140 R HA -0.187 4.153 4.340 -0.000 0.000 0.329 140 R C -0.341 176.179 176.300 0.366 0.000 1.209 140 R CA 1.104 57.297 56.100 0.156 0.000 0.909 140 R CB -2.127 28.165 30.300 -0.014 0.000 1.355 140 R HN 0.522 nan 8.270 nan 0.000 0.539 141 Q N 0.724 120.691 119.800 0.279 0.000 2.245 141 Q HA 0.495 4.835 4.340 -0.000 0.000 0.256 141 Q C -0.049 175.884 176.000 -0.112 0.000 0.942 141 Q CA -0.929 54.971 55.803 0.163 0.000 0.896 141 Q CB 1.791 30.568 28.738 0.065 0.000 1.272 141 Q HN 0.095 nan 8.270 nan 0.000 0.442 142 L N 3.769 124.696 121.223 -0.493 0.000 2.410 142 L HA 0.196 4.536 4.340 -0.000 0.000 0.273 142 L C -0.632 176.048 176.870 -0.315 0.000 1.152 142 L CA -0.331 53.977 54.840 -0.887 0.000 0.855 142 L CB 0.436 42.065 42.059 -0.716 0.000 1.129 142 L HN 0.778 nan 8.230 nan 0.000 0.463 143 I N 5.077 125.519 120.570 -0.213 0.000 2.471 143 I HA -0.060 4.110 4.170 -0.000 0.000 0.294 143 I C 1.817 177.879 176.117 -0.091 0.000 1.123 143 I CA 0.409 61.661 61.300 -0.079 0.000 1.336 143 I CB 0.744 38.728 38.000 -0.026 0.000 1.430 143 I HN 0.713 nan 8.210 nan 0.000 0.533 144 T N 2.047 116.555 114.554 -0.076 0.000 2.951 144 T HA -0.015 4.335 4.350 -0.000 0.000 0.268 144 T C 0.669 175.332 174.700 -0.062 0.000 1.073 144 T CA 0.379 62.437 62.100 -0.069 0.000 1.134 144 T CB -0.166 68.669 68.868 -0.055 0.000 0.884 144 T HN 0.585 nan 8.240 nan 0.000 0.479 145 E N 0.995 121.160 120.200 -0.058 0.000 2.232 145 E HA 0.241 4.591 4.350 -0.000 0.000 0.264 145 E C -0.678 175.876 176.600 -0.077 0.000 0.973 145 E CA -0.763 55.600 56.400 -0.062 0.000 0.849 145 E CB 0.907 30.579 29.700 -0.048 0.000 1.198 145 E HN 0.111 nan 8.360 nan 0.000 0.407 146 E N 0.552 120.699 120.200 -0.089 0.000 2.210 146 E HA -0.218 4.132 4.350 -0.000 0.000 0.201 146 E C -0.716 175.801 176.600 -0.138 0.000 1.339 146 E CA 0.668 57.001 56.400 -0.111 0.000 0.699 146 E CB -1.311 28.330 29.700 -0.097 0.000 1.126 146 E HN 0.470 nan 8.360 nan 0.000 0.355 147 R N 0.032 120.442 120.500 -0.151 0.000 2.490 147 R HA 0.358 4.697 4.340 -0.000 0.000 0.280 147 R C 1.079 177.214 176.300 -0.276 0.000 1.077 147 R CA -0.506 55.491 56.100 -0.172 0.000 1.065 147 R CB 0.580 30.801 30.300 -0.132 0.000 1.003 147 R HN 0.158 nan 8.270 nan 0.000 0.470 148 I N 5.241 125.610 120.570 -0.335 0.000 2.683 148 I HA 0.005 4.175 4.170 -0.000 0.000 0.286 148 I C -1.486 174.349 176.117 -0.471 0.000 1.175 148 I CA -1.304 59.652 61.300 -0.574 0.000 1.429 148 I CB 0.166 37.795 38.000 -0.617 0.000 1.371 148 I HN 0.364 nan 8.210 nan 0.000 0.569 149 P HA 0.089 nan 4.420 nan 0.000 0.274 149 P C -0.795 176.301 177.300 -0.340 0.000 1.246 149 P CA -0.450 62.299 63.100 -0.585 0.000 0.795 149 P CB 0.468 31.465 31.700 -1.172 0.000 1.006 150 N N 1.073 119.644 118.700 -0.214 0.000 2.340 150 N HA -0.048 4.692 4.740 -0.000 0.000 0.236 150 N C 0.376 175.948 175.510 0.104 0.000 1.296 150 N CA 0.365 53.359 53.050 -0.093 0.000 0.896 150 N CB -0.679 37.772 38.487 -0.061 0.000 1.127 150 N HN 0.445 nan 8.380 nan 0.000 0.442 151 N N -1.897 116.855 118.700 0.086 0.000 2.735 151 N HA -0.172 4.568 4.740 -0.000 0.000 0.248 151 N C -0.985 174.715 175.510 0.317 0.000 1.083 151 N CA 0.502 53.652 53.050 0.166 0.000 0.703 151 N CB -1.317 37.269 38.487 0.165 0.000 1.005 151 N HN 0.438 nan 8.380 nan 0.000 0.550 152 T N 0.266 115.001 114.554 0.303 0.000 2.869 152 T HA 0.117 4.467 4.350 -0.000 0.000 0.295 152 T C 1.400 176.280 174.700 0.300 0.000 0.987 152 T CA -0.118 62.202 62.100 0.367 0.000 1.109 152 T CB 1.420 70.447 68.868 0.265 0.000 0.932 152 T HN 0.183 nan 8.240 nan 0.000 0.518 153 Q N 1.612 121.573 119.800 0.269 0.000 2.250 153 Q HA 0.172 4.511 4.340 -0.000 0.000 0.200 153 Q C 0.066 176.232 176.000 0.277 0.000 0.941 153 Q CA 0.414 56.373 55.803 0.261 0.000 0.872 153 Q CB 0.796 29.638 28.738 0.172 0.000 0.965 153 Q HN 0.688 nan 8.270 nan 0.000 0.480 154 W N 0.332 121.606 121.300 -0.044 0.000 3.571 154 W HA 0.436 5.096 4.660 -0.000 0.000 0.294 154 W C -2.055 174.385 176.519 -0.131 0.000 1.257 154 W CA -0.879 56.392 57.345 -0.123 0.000 1.206 154 W CB 1.291 30.613 29.460 -0.230 0.000 1.325 154 W HN -0.258 nan 8.180 nan 0.000 0.546 155 V N 1.454 120.682 119.914 -1.142 0.000 2.841 155 V HA 0.905 5.025 4.120 -0.000 0.000 0.310 155 V C -1.057 174.386 176.094 -1.085 0.000 1.090 155 V CA -0.612 61.111 62.300 -0.962 0.000 0.930 155 V CB 1.350 32.501 31.823 -1.119 0.000 1.014 155 V HN 0.569 nan 8.190 nan 0.000 0.425 156 T N 3.416 117.652 114.554 -0.529 0.000 3.105 156 T HA 0.515 4.865 4.350 -0.000 0.000 0.321 156 T C -1.332 173.339 174.700 -0.048 0.000 1.135 156 T CA -0.301 61.675 62.100 -0.208 0.000 1.053 156 T CB 0.877 69.876 68.868 0.218 0.000 1.133 156 T HN 0.777 nan 8.240 nan 0.000 0.463 157 W N 3.307 124.599 121.300 -0.014 0.000 2.150 157 W HA 0.440 5.100 4.660 -0.000 0.000 0.341 157 W C 1.186 177.434 176.519 -0.452 0.000 1.276 157 W CA -0.672 56.589 57.345 -0.141 0.000 1.238 157 W CB 0.594 30.001 29.460 -0.089 0.000 1.128 157 W HN 0.759 nan 8.180 nan 0.000 0.581 158 S N 1.570 116.889 115.700 -0.635 0.000 2.576 158 S HA 0.128 4.597 4.470 -0.000 0.000 0.276 158 S C -1.809 172.539 174.600 -0.420 0.000 1.339 158 S CA -1.050 56.397 58.200 -1.256 0.000 1.039 158 S CB 1.063 63.439 63.200 -1.373 0.000 0.902 158 S HN 0.269 nan 8.310 nan 0.000 0.516 159 P HA -0.058 nan 4.420 nan 0.000 0.218 159 P C 0.333 177.603 177.300 -0.050 0.000 1.146 159 P CA 1.167 64.239 63.100 -0.047 0.000 0.813 159 P CB -0.231 31.477 31.700 0.014 0.000 0.778 160 V N -7.316 112.530 119.914 -0.113 0.000 3.130 160 V HA 0.883 5.002 4.120 -0.000 0.000 0.310 160 V C 0.471 176.484 176.094 -0.135 0.000 1.158 160 V CA -0.474 61.775 62.300 -0.085 0.000 1.029 160 V CB 1.043 32.837 31.823 -0.047 0.000 1.057 160 V HN 0.375 nan 8.190 nan 0.000 0.436 161 G N 1.612 110.355 108.800 -0.095 0.000 2.552 161 G HA2 -0.177 3.782 3.960 -0.000 0.000 0.265 161 G HA3 -0.177 3.782 3.960 -0.000 0.000 0.265 161 G C 0.167 175.019 174.900 -0.081 0.000 1.234 161 G CA 0.672 45.704 45.100 -0.115 0.000 0.944 161 G HN 2.510 nan 8.290 nan 0.000 0.568 162 H N -0.323 118.742 119.070 -0.009 0.000 2.767 162 H HA 0.458 5.014 4.556 -0.000 0.000 0.235 162 H C 0.410 175.871 175.328 0.221 0.000 1.256 162 H CA -0.151 55.940 56.048 0.072 0.000 0.957 162 H CB -0.127 29.720 29.762 0.142 0.000 2.117 162 H HN 0.505 nan 8.280 nan 0.000 0.602 163 K N 1.247 121.643 120.400 -0.007 0.000 2.219 163 K HA 0.360 4.680 4.320 -0.000 0.000 0.258 163 K C -0.829 175.833 176.600 0.103 0.000 1.008 163 K CA -0.682 55.597 56.287 -0.014 0.000 0.928 163 K CB 1.187 33.529 32.500 -0.263 0.000 0.983 163 K HN 0.066 nan 8.250 nan 0.000 0.484 164 L N 1.166 122.494 121.223 0.175 0.000 2.528 164 L HA 0.419 4.759 4.340 -0.000 0.000 0.267 164 L C -1.685 175.361 176.870 0.294 0.000 0.961 164 L CA -0.156 54.747 54.840 0.106 0.000 0.866 164 L CB 1.641 43.600 42.059 -0.166 0.000 1.248 164 L HN 0.718 nan 8.230 nan 0.000 0.404 165 A N 4.629 127.679 122.820 0.383 0.000 2.318 165 A HA 0.819 5.139 4.320 -0.000 0.000 0.324 165 A C -1.535 176.095 177.584 0.077 0.000 1.170 165 A CA -0.360 51.783 52.037 0.177 0.000 0.810 165 A CB 0.719 19.739 19.000 0.034 0.000 1.198 165 A HN 0.810 nan 8.150 nan 0.000 0.484 166 Y N -0.334 119.929 120.300 -0.062 0.000 2.581 166 Y HA 0.754 5.304 4.550 -0.000 0.000 0.345 166 Y C -1.053 174.866 175.900 0.032 0.000 1.036 166 Y CA -1.593 56.452 58.100 -0.091 0.000 1.042 166 Y CB 1.239 39.580 38.460 -0.199 0.000 1.289 166 Y HN 0.337 nan 8.280 nan 0.000 0.471 167 V N 2.303 122.338 119.914 0.203 0.000 2.417 167 V HA 0.321 4.441 4.120 -0.000 0.000 0.291 167 V C -1.378 174.924 176.094 0.347 0.000 1.024 167 V CA -0.615 61.780 62.300 0.158 0.000 0.861 167 V CB 1.068 32.898 31.823 0.012 0.000 0.985 167 V HN 0.878 nan 8.190 nan 0.000 0.436 168 W N 5.239 126.645 121.300 0.176 0.000 2.900 168 W HA 0.474 5.134 4.660 -0.000 0.000 0.336 168 W C 0.313 176.897 176.519 0.108 0.000 1.064 168 W CA -0.650 56.775 57.345 0.132 0.000 1.237 168 W CB 1.261 30.777 29.460 0.094 0.000 1.391 168 W HN 0.780 nan 8.180 nan 0.000 0.468 169 N N 5.436 123.731 118.700 -0.674 0.000 2.725 169 N HA -0.348 4.392 4.740 -0.000 0.000 0.249 169 N C 0.201 175.531 175.510 -0.301 0.000 1.103 169 N CA 1.037 53.699 53.050 -0.646 0.000 0.707 169 N CB -1.133 36.755 38.487 -0.997 0.000 1.043 169 N HN 0.860 nan 8.380 nan 0.000 0.553 170 N N -1.876 116.714 118.700 -0.182 0.000 2.909 170 N HA -0.159 4.581 4.740 -0.000 0.000 0.242 170 N C -1.293 174.135 175.510 -0.136 0.000 0.975 170 N CA 1.128 54.093 53.050 -0.141 0.000 0.921 170 N CB -0.375 37.989 38.487 -0.204 0.000 1.112 170 N HN 0.408 nan 8.380 nan 0.000 0.581 171 D N 0.589 120.913 120.400 -0.127 0.000 2.340 171 D HA 0.497 5.137 4.640 -0.000 0.000 0.240 171 D C 0.144 176.272 176.300 -0.287 0.000 1.001 171 D CA -0.353 53.496 54.000 -0.252 0.000 0.888 171 D CB 1.635 42.228 40.800 -0.346 0.000 1.310 171 D HN 0.034 nan 8.370 nan 0.000 0.474 172 I N 1.685 121.934 120.570 -0.535 0.000 2.396 172 I HA 0.224 4.394 4.170 -0.000 0.000 0.292 172 I C -0.566 175.076 176.117 -0.792 0.000 0.999 172 I CA -0.342 60.623 61.300 -0.558 0.000 1.310 172 I CB 0.540 38.134 38.000 -0.677 0.000 1.404 172 I HN 0.173 nan 8.210 nan 0.000 0.496 173 Y N 3.976 123.896 120.300 -0.633 0.000 2.536 173 Y HA 0.672 5.222 4.550 -0.000 0.000 0.347 173 Y C -0.413 175.150 175.900 -0.561 0.000 1.000 173 Y CA -0.961 56.723 58.100 -0.694 0.000 1.051 173 Y CB 2.128 39.913 38.460 -1.124 0.000 1.259 173 Y HN 0.101 nan 8.280 nan 0.000 0.468 174 V N 2.542 122.396 119.914 -0.100 0.000 2.638 174 V HA 0.399 4.519 4.120 -0.000 0.000 0.306 174 V C -0.897 175.323 176.094 0.209 0.000 1.052 174 V CA -1.340 61.006 62.300 0.076 0.000 0.885 174 V CB 1.946 33.835 31.823 0.110 0.000 0.999 174 V HN 0.615 nan 8.190 nan 0.000 0.424 175 K N 4.807 125.338 120.400 0.219 0.000 2.389 175 K HA 0.462 4.782 4.320 -0.000 0.000 0.261 175 K C 0.409 177.127 176.600 0.197 0.000 1.014 175 K CA -0.667 55.732 56.287 0.187 0.000 0.920 175 K CB 1.601 34.174 32.500 0.122 0.000 1.149 175 K HN 0.455 nan 8.250 nan 0.000 0.444 176 I N 1.123 121.833 120.570 0.234 0.000 2.315 176 I HA -0.110 4.060 4.170 -0.000 0.000 0.248 176 I C 0.548 176.752 176.117 0.145 0.000 1.117 176 I CA 1.547 62.955 61.300 0.179 0.000 1.404 176 I CB -0.220 37.905 38.000 0.209 0.000 1.071 176 I HN 0.527 nan 8.210 nan 0.000 0.419 177 E N -0.246 120.036 120.200 0.137 0.000 2.266 177 E HA 0.276 4.626 4.350 -0.000 0.000 0.268 177 E C -1.878 174.709 176.600 -0.022 0.000 0.879 177 E CA -1.933 54.529 56.400 0.104 0.000 0.762 177 E CB 1.931 31.692 29.700 0.102 0.000 1.199 177 E HN -0.143 nan 8.360 nan 0.000 0.422 178 P HA -0.168 nan 4.420 nan 0.000 0.216 178 P C 0.685 177.901 177.300 -0.139 0.000 1.150 178 P CA 1.507 64.466 63.100 -0.234 0.000 0.837 178 P CB 0.188 31.559 31.700 -0.547 0.000 0.786 179 N N -1.609 117.026 118.700 -0.108 0.000 2.463 179 N HA -0.005 4.735 4.740 -0.000 0.000 0.181 179 N C 0.486 175.968 175.510 -0.047 0.000 1.078 179 N CA 0.264 53.280 53.050 -0.057 0.000 0.902 179 N CB -0.555 37.921 38.487 -0.018 0.000 0.970 179 N HN 0.099 nan 8.380 nan 0.000 0.451 180 L N 0.346 121.544 121.223 -0.041 0.000 2.421 180 L HA 0.443 4.782 4.340 -0.000 0.000 0.263 180 L C -2.134 174.682 176.870 -0.090 0.000 1.122 180 L CA -2.324 52.488 54.840 -0.046 0.000 0.804 180 L CB 0.881 42.936 42.059 -0.007 0.000 1.150 180 L HN -0.100 nan 8.230 nan 0.000 0.457 181 P HA 0.068 nan 4.420 nan 0.000 0.271 181 P C -0.928 176.203 177.300 -0.282 0.000 1.218 181 P CA -0.194 62.794 63.100 -0.187 0.000 0.780 181 P CB 0.620 32.202 31.700 -0.197 0.000 0.901 182 S N 1.279 116.871 115.700 -0.180 0.000 2.580 182 S HA 0.265 4.735 4.470 -0.000 0.000 0.274 182 S C -0.462 174.015 174.600 -0.205 0.000 1.329 182 S CA -0.084 58.052 58.200 -0.106 0.000 1.036 182 S CB -0.183 63.055 63.200 0.064 0.000 0.919 182 S HN 0.240 nan 8.310 nan 0.000 0.515 183 Y N 1.259 121.582 120.300 0.038 0.000 2.326 183 Y HA 0.393 4.943 4.550 -0.000 0.000 0.337 183 Y C 0.700 176.529 175.900 -0.118 0.000 1.023 183 Y CA -0.709 57.389 58.100 -0.004 0.000 1.143 183 Y CB 0.654 39.109 38.460 -0.009 0.000 1.183 183 Y HN 0.516 nan 8.280 nan 0.000 0.485 184 R N 3.148 123.599 120.500 -0.082 0.000 2.216 184 R HA 0.308 4.648 4.340 -0.000 0.000 0.332 184 R C -0.130 175.869 176.300 -0.502 0.000 1.056 184 R CA -0.065 55.677 56.100 -0.598 0.000 0.901 184 R CB 0.282 30.045 30.300 -0.894 0.000 1.039 184 R HN 0.826 nan 8.270 nan 0.000 0.456 185 I N 2.213 122.424 120.570 -0.598 0.000 2.296 185 I HA -0.075 4.095 4.170 -0.000 0.000 0.242 185 I C 0.973 176.851 176.117 -0.397 0.000 1.087 185 I CA 1.156 62.215 61.300 -0.402 0.000 1.393 185 I CB -0.070 37.656 38.000 -0.457 0.000 1.093 185 I HN 0.697 nan 8.210 nan 0.000 0.421 186 T N -3.712 110.472 114.554 -0.615 0.000 2.918 186 T HA 0.309 4.659 4.350 -0.000 0.000 0.286 186 T C -0.567 173.787 174.700 -0.577 0.000 1.026 186 T CA -0.568 61.276 62.100 -0.427 0.000 1.031 186 T CB 1.338 69.975 68.868 -0.384 0.000 1.046 186 T HN 0.227 nan 8.240 nan 0.000 0.479 187 W N -0.074 121.122 121.300 -0.175 0.000 2.534 187 W HA 0.224 4.884 4.660 -0.000 0.000 0.339 187 W C 1.982 178.446 176.519 -0.091 0.000 0.961 187 W CA -0.104 57.170 57.345 -0.119 0.000 1.545 187 W CB 0.158 29.567 29.460 -0.085 0.000 1.104 187 W HN 0.918 nan 8.180 nan 0.000 0.538 188 T N -2.750 111.840 114.554 0.061 0.000 3.065 188 T HA 0.241 4.591 4.350 -0.000 0.000 0.252 188 T C 1.327 176.019 174.700 -0.014 0.000 1.099 188 T CA 0.327 62.447 62.100 0.033 0.000 1.063 188 T CB -0.268 68.617 68.868 0.028 0.000 0.948 188 T HN 0.001 nan 8.240 nan 0.000 0.506 189 G N 1.377 110.138 108.800 -0.065 0.000 2.225 189 G HA2 0.326 4.286 3.960 -0.000 0.000 0.245 189 G HA3 0.326 4.286 3.960 -0.000 0.000 0.245 189 G C -0.609 174.223 174.900 -0.113 0.000 1.249 189 G CA -0.272 44.764 45.100 -0.106 0.000 0.919 189 G HN 0.574 nan 8.290 nan 0.000 0.486 190 K N 1.697 122.009 120.400 -0.147 0.000 2.525 190 K HA 0.202 4.522 4.320 -0.000 0.000 0.254 190 K C -0.300 176.171 176.600 -0.215 0.000 0.934 190 K CA -0.715 55.486 56.287 -0.143 0.000 0.802 190 K CB 1.952 34.403 32.500 -0.081 0.000 1.295 190 K HN 0.587 nan 8.250 nan 0.000 0.433 191 E N 2.739 122.832 120.200 -0.178 0.000 2.480 191 E HA -0.097 4.252 4.350 -0.000 0.000 0.258 191 E C -0.659 175.860 176.600 -0.136 0.000 0.984 191 E CA 0.774 57.070 56.400 -0.174 0.000 0.930 191 E CB 0.283 29.913 29.700 -0.116 0.000 0.936 191 E HN 0.613 nan 8.360 nan 0.000 0.466 192 D N 2.562 122.868 120.400 -0.157 0.000 3.079 192 D HA -0.236 4.404 4.640 -0.000 0.000 0.214 192 D C 0.490 176.828 176.300 0.063 0.000 1.145 192 D CA 1.470 55.490 54.000 0.033 0.000 0.958 192 D CB -0.960 39.893 40.800 0.089 0.000 1.117 192 D HN 0.518 nan 8.370 nan 0.000 0.416 193 I N -1.279 119.228 120.570 -0.104 0.000 3.685 193 I HA 0.080 4.250 4.170 -0.000 0.000 0.258 193 I C 0.388 176.552 176.117 0.077 0.000 1.135 193 I CA -0.105 61.224 61.300 0.047 0.000 1.436 193 I CB 0.583 38.598 38.000 0.025 0.000 1.670 193 I HN -0.179 nan 8.210 nan 0.000 0.424 194 I N 1.475 121.989 120.570 -0.093 0.000 2.404 194 I HA 0.291 4.461 4.170 -0.000 0.000 0.293 194 I C -1.435 174.614 176.117 -0.113 0.000 0.992 194 I CA -0.479 60.838 61.300 0.029 0.000 1.149 194 I CB 0.895 38.915 38.000 0.033 0.000 1.315 194 I HN 0.065 nan 8.210 nan 0.000 0.446 195 Y N 4.356 124.752 120.300 0.159 0.000 2.338 195 Y HA 0.387 4.937 4.550 -0.000 0.000 0.328 195 Y C 0.223 176.199 175.900 0.127 0.000 0.965 195 Y CA -0.885 57.312 58.100 0.162 0.000 1.208 195 Y CB 1.056 39.689 38.460 0.289 0.000 1.132 195 Y HN 0.409 nan 8.280 nan 0.000 0.469 196 N N 2.374 121.147 118.700 0.123 0.000 2.457 196 N HA 0.332 5.072 4.740 -0.000 0.000 0.250 196 N C 0.905 176.373 175.510 -0.070 0.000 0.982 196 N CA 0.481 53.544 53.050 0.022 0.000 0.941 196 N CB 1.765 40.165 38.487 -0.145 0.000 1.120 196 N HN 1.008 nan 8.380 nan 0.000 0.505 197 G N 1.680 110.467 108.800 -0.022 0.000 2.184 197 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.264 197 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.264 197 G C 0.118 174.866 174.900 -0.253 0.000 0.975 197 G CA 0.734 45.731 45.100 -0.171 0.000 0.642 197 G HN 0.663 nan 8.290 nan 0.000 0.536 198 I N -1.798 118.698 120.570 -0.124 0.000 2.828 198 I HA 0.800 4.969 4.170 -0.000 0.000 0.302 198 I C 0.393 176.504 176.117 -0.011 0.000 1.101 198 I CA -0.698 60.428 61.300 -0.291 0.000 1.031 198 I CB 2.034 39.696 38.000 -0.564 0.000 1.231 198 I HN 0.160 nan 8.210 nan 0.000 0.427 199 T N -0.207 114.255 114.554 -0.153 0.000 2.904 199 T HA 0.328 4.678 4.350 -0.000 0.000 0.290 199 T C -0.091 174.372 174.700 -0.394 0.000 1.018 199 T CA -0.639 61.215 62.100 -0.410 0.000 1.075 199 T CB 1.182 69.933 68.868 -0.194 0.000 0.986 199 T HN 0.770 nan 8.240 nan 0.000 0.523 200 D N 0.688 120.584 120.400 -0.839 0.000 2.440 200 D HA 0.029 4.669 4.640 -0.000 0.000 0.269 200 D C 1.038 177.274 176.300 -0.107 0.000 1.249 200 D CA -1.014 52.576 54.000 -0.684 0.000 1.055 200 D CB -0.010 40.285 40.800 -0.841 0.000 1.104 200 D HN 0.696 nan 8.370 nan 0.000 0.561 201 W N -0.123 121.124 121.300 -0.090 0.000 2.332 201 W HA -0.214 4.446 4.660 -0.000 0.000 0.321 201 W C 2.263 178.683 176.519 -0.166 0.000 1.219 201 W CA 2.372 59.654 57.345 -0.105 0.000 1.277 201 W CB -0.560 28.785 29.460 -0.192 0.000 1.161 201 W HN 0.162 nan 8.180 nan 0.000 0.476 202 V N -0.087 119.930 119.914 0.170 0.000 2.515 202 V HA -0.292 3.828 4.120 -0.000 0.000 0.250 202 V C 1.852 177.795 176.094 -0.252 0.000 1.058 202 V CA 1.949 64.235 62.300 -0.024 0.000 1.064 202 V CB -0.736 31.055 31.823 -0.054 0.000 0.675 202 V HN 0.315 nan 8.190 nan 0.000 0.461 203 Y N 0.503 120.657 120.300 -0.243 0.000 2.314 203 Y HA -0.151 4.398 4.550 -0.000 0.000 0.293 203 Y C 2.558 178.381 175.900 -0.129 0.000 1.129 203 Y CA 1.998 59.966 58.100 -0.221 0.000 1.201 203 Y CB -0.027 38.195 38.460 -0.396 0.000 0.999 203 Y HN 0.381 nan 8.280 nan 0.000 0.541 204 E N 0.341 120.514 120.200 -0.045 0.000 2.028 204 E HA -0.267 4.083 4.350 -0.000 0.000 0.191 204 E C 1.986 178.543 176.600 -0.071 0.000 0.988 204 E CA 1.469 57.859 56.400 -0.016 0.000 0.799 204 E CB 0.022 29.711 29.700 -0.018 0.000 0.755 204 E HN 0.343 nan 8.360 nan 0.000 0.447 205 E N 0.127 120.108 120.200 -0.365 0.000 2.076 205 E HA -0.135 4.215 4.350 -0.000 0.000 0.190 205 E C 1.486 177.963 176.600 -0.205 0.000 0.979 205 E CA 1.346 57.505 56.400 -0.403 0.000 0.807 205 E CB 0.247 29.336 29.700 -1.019 0.000 0.761 205 E HN 0.212 nan 8.360 nan 0.000 0.454 206 E N -1.097 118.967 120.200 -0.226 0.000 2.465 206 E HA 0.129 4.479 4.350 -0.000 0.000 0.209 206 E C 1.541 178.010 176.600 -0.219 0.000 0.951 206 E CA 0.254 56.558 56.400 -0.159 0.000 0.997 206 E CB 1.078 30.687 29.700 -0.152 0.000 1.025 206 E HN 0.158 nan 8.360 nan 0.000 0.500 207 V N -0.377 119.365 119.914 -0.286 0.000 2.735 207 V HA 0.064 4.184 4.120 -0.000 0.000 0.234 207 V C 1.457 177.347 176.094 -0.340 0.000 1.121 207 V CA 0.722 62.775 62.300 -0.413 0.000 1.160 207 V CB -0.254 31.181 31.823 -0.646 0.000 0.908 207 V HN 0.017 nan 8.190 nan 0.000 0.495 208 F N 0.755 120.717 119.950 0.020 0.000 2.698 208 F HA 0.240 4.767 4.527 -0.000 0.000 0.295 208 F C 1.603 177.365 175.800 -0.062 0.000 1.124 208 F CA 0.437 58.461 58.000 0.040 0.000 1.426 208 F CB -0.240 38.828 39.000 0.115 0.000 1.120 208 F HN 0.100 nan 8.300 nan 0.000 0.583 209 S N 0.230 115.937 115.700 0.012 0.000 3.581 209 S HA -0.022 4.448 4.470 -0.000 0.000 0.354 209 S C 0.064 174.216 174.600 -0.746 0.000 1.059 209 S CA 0.382 58.433 58.200 -0.248 0.000 1.060 209 S CB -1.871 61.266 63.200 -0.105 0.000 0.908 209 S HN 0.644 nan 8.310 nan 0.000 0.475 210 A N -0.807 121.792 122.820 -0.368 0.000 2.612 210 A HA 0.710 5.030 4.320 -0.000 0.000 0.293 210 A C -0.285 177.258 177.584 -0.068 0.000 1.075 210 A CA -0.461 51.401 52.037 -0.291 0.000 0.680 210 A CB 0.417 19.287 19.000 -0.216 0.000 1.279 210 A HN 0.308 nan 8.150 nan 0.000 0.411 211 Y N 1.470 121.608 120.300 -0.270 0.000 2.314 211 Y HA 0.026 4.576 4.550 -0.000 0.000 0.294 211 Y C 1.725 177.329 175.900 -0.493 0.000 1.119 211 Y CA 1.024 58.960 58.100 -0.273 0.000 1.179 211 Y CB 0.223 38.557 38.460 -0.209 0.000 1.025 211 Y HN 0.807 nan 8.280 nan 0.000 0.541 212 S N 0.790 115.955 115.700 -0.893 0.000 2.562 212 S HA 0.387 4.857 4.470 -0.000 0.000 0.281 212 S C 0.018 174.075 174.600 -0.905 0.000 1.333 212 S CA -0.165 57.292 58.200 -1.238 0.000 1.052 212 S CB 1.532 63.598 63.200 -1.891 0.000 0.884 212 S HN 0.377 nan 8.310 nan 0.000 0.506 213 A N 3.696 125.985 122.820 -0.886 0.000 3.129 213 A HA 0.577 4.897 4.320 -0.000 0.000 0.282 213 A C -0.422 176.371 177.584 -1.318 0.000 0.948 213 A CA -0.617 50.771 52.037 -1.082 0.000 1.027 213 A CB -0.087 18.742 19.000 -0.285 0.000 1.123 213 A HN 0.808 nan 8.150 nan 0.000 0.485 214 L N 0.590 120.933 121.223 -1.466 0.000 2.410 214 L HA 0.592 4.932 4.340 -0.000 0.000 0.270 214 L C -1.256 175.133 176.870 -0.802 0.000 0.983 214 L CA -0.495 53.853 54.840 -0.819 0.000 0.822 214 L CB 1.970 43.796 42.059 -0.389 0.000 1.285 214 L HN 0.505 nan 8.230 nan 0.000 0.409 215 W N 2.772 124.115 121.300 0.071 0.000 2.604 215 W HA 0.213 4.873 4.660 -0.000 0.000 0.302 215 W C -1.055 175.693 176.519 0.381 0.000 1.013 215 W CA -1.089 56.417 57.345 0.269 0.000 1.338 215 W CB 1.062 30.722 29.460 0.334 0.000 1.233 215 W HN 0.485 nan 8.180 nan 0.000 0.390 216 W N 2.343 123.858 121.300 0.358 0.000 2.170 216 W HA 0.158 4.818 4.660 -0.000 0.000 0.342 216 W C 1.411 177.757 176.519 -0.290 0.000 1.294 216 W CA 0.594 58.014 57.345 0.125 0.000 1.246 216 W CB 0.596 30.095 29.460 0.065 0.000 1.156 216 W HN 0.194 nan 8.180 nan 0.000 0.572 217 S N 2.465 117.908 115.700 -0.430 0.000 2.579 217 S HA 0.105 4.575 4.470 -0.000 0.000 0.275 217 S C -1.691 172.622 174.600 -0.479 0.000 1.345 217 S CA -1.006 56.389 58.200 -1.340 0.000 1.031 217 S CB 0.964 63.556 63.200 -1.015 0.000 0.892 217 S HN 0.300 nan 8.310 nan 0.000 0.529 218 P HA -0.159 nan 4.420 nan 0.000 0.218 218 P C 0.822 178.097 177.300 -0.042 0.000 1.146 218 P CA 1.499 64.551 63.100 -0.080 0.000 0.820 218 P CB -0.172 31.532 31.700 0.006 0.000 0.778 219 N N -2.551 116.110 118.700 -0.064 0.000 2.187 219 N HA 0.124 4.864 4.740 -0.000 0.000 0.212 219 N C 1.021 176.488 175.510 -0.071 0.000 1.152 219 N CA 0.482 53.505 53.050 -0.045 0.000 0.872 219 N CB -0.406 38.071 38.487 -0.016 0.000 1.025 219 N HN 0.117 nan 8.380 nan 0.000 0.514 220 G N -0.270 108.502 108.800 -0.047 0.000 2.136 220 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.242 220 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.242 220 G C 0.745 175.721 174.900 0.127 0.000 0.989 220 G CA 0.793 45.892 45.100 -0.001 0.000 0.682 220 G HN 0.382 nan 8.290 nan 0.000 0.522 221 T N -0.229 114.334 114.554 0.015 0.000 2.809 221 T HA 0.278 4.628 4.350 -0.000 0.000 0.260 221 T C 0.903 175.449 174.700 -0.257 0.000 1.039 221 T CA 1.145 63.140 62.100 -0.174 0.000 1.141 221 T CB -0.008 68.664 68.868 -0.326 0.000 0.869 221 T HN 0.295 nan 8.240 nan 0.000 0.437 222 F N 0.313 120.309 119.950 0.075 0.000 2.483 222 F HA 0.651 5.178 4.527 -0.000 0.000 0.329 222 F C -0.290 175.569 175.800 0.098 0.000 1.064 222 F CA -1.509 56.565 58.000 0.123 0.000 0.986 222 F CB 1.163 40.328 39.000 0.275 0.000 1.218 222 F HN -0.105 nan 8.300 nan 0.000 0.484 223 L N 2.367 123.723 121.223 0.222 0.000 2.372 223 L HA 0.765 5.105 4.340 -0.000 0.000 0.273 223 L C -0.706 176.261 176.870 0.160 0.000 0.989 223 L CA -0.545 54.261 54.840 -0.057 0.000 0.841 223 L CB 0.849 42.582 42.059 -0.543 0.000 1.225 223 L HN 0.662 nan 8.230 nan 0.000 0.414 224 A N 4.755 127.742 122.820 0.279 0.000 2.310 224 A HA 0.763 5.083 4.320 -0.000 0.000 0.299 224 A C -1.320 176.337 177.584 0.122 0.000 1.147 224 A CA -0.193 51.885 52.037 0.068 0.000 0.818 224 A CB 0.462 19.572 19.000 0.184 0.000 1.096 224 A HN 0.894 nan 8.150 nan 0.000 0.495 225 Y N -1.557 118.510 120.300 -0.388 0.000 2.638 225 Y HA 0.753 5.303 4.550 -0.000 0.000 0.335 225 Y C -0.431 175.296 175.900 -0.289 0.000 1.155 225 Y CA -0.903 57.068 58.100 -0.216 0.000 1.046 225 Y CB 0.895 39.219 38.460 -0.227 0.000 1.303 225 Y HN 0.938 nan 8.280 nan 0.000 0.460 226 A N 2.021 124.886 122.820 0.075 0.000 2.340 226 A HA 0.680 4.999 4.320 -0.000 0.000 0.331 226 A C -1.336 176.156 177.584 -0.154 0.000 1.140 226 A CA -0.874 51.086 52.037 -0.128 0.000 0.801 226 A CB 1.863 20.761 19.000 -0.170 0.000 1.234 226 A HN 0.804 nan 8.150 nan 0.000 0.469 227 Q N 1.241 120.888 119.800 -0.255 0.000 2.330 227 Q HA 0.606 4.946 4.340 -0.000 0.000 0.269 227 Q C -1.992 173.808 176.000 -0.334 0.000 1.022 227 Q CA -0.351 55.403 55.803 -0.081 0.000 0.796 227 Q CB 0.996 29.888 28.738 0.258 0.000 1.271 227 Q HN 0.608 nan 8.270 nan 0.000 0.450 228 F N 2.200 122.258 119.950 0.181 0.000 2.450 228 F HA 0.430 4.957 4.527 -0.000 0.000 0.332 228 F C 0.424 176.391 175.800 0.280 0.000 1.093 228 F CA -0.902 57.183 58.000 0.142 0.000 1.003 228 F CB 1.382 40.358 39.000 -0.040 0.000 1.151 228 F HN 0.427 nan 8.300 nan 0.000 0.474 229 N N 1.761 120.694 118.700 0.388 0.000 2.483 229 N HA 0.216 4.956 4.740 -0.000 0.000 0.267 229 N C -0.858 174.831 175.510 0.298 0.000 0.998 229 N CA -0.331 52.906 53.050 0.312 0.000 0.918 229 N CB 0.982 39.591 38.487 0.204 0.000 1.215 229 N HN 0.508 nan 8.380 nan 0.000 0.500 230 D N 1.504 122.105 120.400 0.335 0.000 2.388 230 D HA 0.116 4.756 4.640 -0.000 0.000 0.221 230 D C 1.170 177.588 176.300 0.195 0.000 1.133 230 D CA 0.198 54.369 54.000 0.285 0.000 0.831 230 D CB 0.465 41.496 40.800 0.385 0.000 0.962 230 D HN 0.470 nan 8.370 nan 0.000 0.502 231 T N 0.387 115.037 114.554 0.160 0.000 2.635 231 T HA -0.188 4.162 4.350 -0.000 0.000 0.267 231 T C 1.426 176.182 174.700 0.094 0.000 1.040 231 T CA 1.279 63.446 62.100 0.112 0.000 1.156 231 T CB -0.036 68.887 68.868 0.092 0.000 0.863 231 T HN 0.268 nan 8.240 nan 0.000 0.430 232 E N 0.485 120.740 120.200 0.092 0.000 2.465 232 E HA 0.147 4.497 4.350 -0.000 0.000 0.191 232 E C -0.422 176.226 176.600 0.080 0.000 1.053 232 E CA -0.264 56.181 56.400 0.074 0.000 0.869 232 E CB 0.394 30.131 29.700 0.062 0.000 0.977 232 E HN 0.210 nan 8.360 nan 0.000 0.483 233 V N 3.577 123.552 119.914 0.102 0.000 2.470 233 V HA 0.100 4.220 4.120 -0.000 0.000 0.276 233 V C -2.015 174.134 176.094 0.091 0.000 1.040 233 V CA -1.606 60.757 62.300 0.105 0.000 1.008 233 V CB 0.221 32.124 31.823 0.134 0.000 0.990 233 V HN 0.044 nan 8.190 nan 0.000 0.477 234 P HA 0.224 nan 4.420 nan 0.000 0.269 234 P C -0.638 176.696 177.300 0.057 0.000 1.215 234 P CA -0.228 62.908 63.100 0.060 0.000 0.780 234 P CB 0.481 32.214 31.700 0.056 0.000 0.898 235 L N 2.479 123.717 121.223 0.024 0.000 2.292 235 L HA 0.387 4.727 4.340 -0.000 0.000 0.284 235 L C 0.570 177.398 176.870 -0.070 0.000 1.065 235 L CA -0.938 53.898 54.840 -0.006 0.000 0.806 235 L CB 0.669 42.718 42.059 -0.016 0.000 1.175 235 L HN 0.305 nan 8.230 nan 0.000 0.431 236 I N 2.850 123.335 120.570 -0.141 0.000 2.441 236 I HA 0.146 4.316 4.170 -0.000 0.000 0.287 236 I C -0.188 175.792 176.117 -0.228 0.000 1.049 236 I CA 0.410 61.532 61.300 -0.296 0.000 1.381 236 I CB 0.554 38.114 38.000 -0.734 0.000 1.409 236 I HN 0.573 nan 8.210 nan 0.000 0.523 237 E N 7.537 127.624 120.200 -0.189 0.000 2.199 237 E HA 0.460 4.810 4.350 -0.000 0.000 0.265 237 E C -1.722 174.822 176.600 -0.092 0.000 0.882 237 E CA -0.578 55.713 56.400 -0.182 0.000 0.759 237 E CB 1.770 31.391 29.700 -0.133 0.000 1.148 237 E HN 0.569 nan 8.360 nan 0.000 0.412 238 Y N -1.444 118.778 120.300 -0.130 0.000 2.588 238 Y HA 0.558 5.108 4.550 -0.000 0.000 0.343 238 Y C -0.577 175.259 175.900 -0.107 0.000 1.065 238 Y CA -1.356 56.675 58.100 -0.115 0.000 1.038 238 Y CB 0.885 39.286 38.460 -0.097 0.000 1.297 238 Y HN 0.165 nan 8.280 nan 0.000 0.467 239 S N 2.180 117.883 115.700 0.005 0.000 2.548 239 S HA 0.385 4.855 4.470 -0.000 0.000 0.277 239 S C -1.298 173.146 174.600 -0.259 0.000 1.315 239 S CA -0.344 57.700 58.200 -0.260 0.000 1.050 239 S CB 0.101 62.984 63.200 -0.527 0.000 0.918 239 S HN 0.542 nan 8.310 nan 0.000 0.497 240 F N 2.705 122.403 119.950 -0.420 0.000 2.449 240 F HA 0.413 4.940 4.527 -0.000 0.000 0.342 240 F C -0.098 175.486 175.800 -0.360 0.000 1.127 240 F CA -0.784 57.054 58.000 -0.270 0.000 0.975 240 F CB 0.779 39.748 39.000 -0.053 0.000 1.146 240 F HN 0.668 nan 8.300 nan 0.000 0.444 241 Y N 2.693 122.785 120.300 -0.346 0.000 2.397 241 Y HA 0.110 4.660 4.550 -0.000 0.000 0.292 241 Y C 1.642 177.460 175.900 -0.136 0.000 1.115 241 Y CA 1.037 59.022 58.100 -0.192 0.000 1.208 241 Y CB -0.430 37.909 38.460 -0.202 0.000 1.046 241 Y HN 0.724 nan 8.280 nan 0.000 0.552 242 S N -0.022 115.574 115.700 -0.173 0.000 3.697 242 S HA -0.305 4.165 4.470 -0.000 0.000 0.638 242 S C -0.201 174.436 174.600 0.062 0.000 2.176 242 S CA 0.075 58.320 58.200 0.074 0.000 2.349 242 S CB -1.354 62.002 63.200 0.260 0.000 0.329 242 S HN 0.619 nan 8.310 nan 0.000 1.794 243 D N 1.172 121.632 120.400 0.101 0.000 2.443 243 D HA 0.143 4.783 4.640 -0.000 0.000 0.234 243 D C 1.548 177.880 176.300 0.053 0.000 1.172 243 D CA 0.982 55.023 54.000 0.069 0.000 0.878 243 D CB 0.405 41.250 40.800 0.074 0.000 1.204 243 D HN 0.622 nan 8.370 nan 0.000 0.453 244 E N 1.211 121.430 120.200 0.032 0.000 2.267 244 E HA -0.257 4.093 4.350 -0.000 0.000 0.197 244 E C 1.287 177.900 176.600 0.022 0.000 0.998 244 E CA 1.311 57.722 56.400 0.018 0.000 0.830 244 E CB -0.120 29.583 29.700 0.005 0.000 0.751 244 E HN 0.454 nan 8.360 nan 0.000 0.491 245 S N 0.287 116.006 115.700 0.032 0.000 2.481 245 S HA -0.088 4.382 4.470 -0.000 0.000 0.231 245 S C 0.896 175.523 174.600 0.044 0.000 0.996 245 S CA -0.097 58.123 58.200 0.033 0.000 0.942 245 S CB -0.227 62.994 63.200 0.036 0.000 0.768 245 S HN 0.290 nan 8.310 nan 0.000 0.520 246 L N 2.562 123.819 121.223 0.058 0.000 2.385 246 L HA 0.325 4.665 4.340 -0.000 0.000 0.281 246 L C 1.347 178.253 176.870 0.059 0.000 1.106 246 L CA 0.132 55.018 54.840 0.076 0.000 0.856 246 L CB 0.519 42.639 42.059 0.102 0.000 1.186 246 L HN 0.269 nan 8.230 nan 0.000 0.453 247 Q N 3.857 123.696 119.800 0.065 0.000 2.046 247 Q HA -0.094 4.246 4.340 -0.000 0.000 0.200 247 Q C -0.476 175.444 176.000 -0.133 0.000 0.975 247 Q CA 1.419 57.208 55.803 -0.023 0.000 0.836 247 Q CB 0.121 28.872 28.738 0.022 0.000 0.896 247 Q HN 0.680 nan 8.270 nan 0.000 0.428 248 Y N 0.630 120.946 120.300 0.027 0.000 2.335 248 Y HA 0.366 4.916 4.550 -0.000 0.000 0.338 248 Y C -2.014 173.902 175.900 0.027 0.000 0.977 248 Y CA -2.906 55.208 58.100 0.023 0.000 1.114 248 Y CB 1.312 39.778 38.460 0.010 0.000 1.182 248 Y HN 0.174 nan 8.280 nan 0.000 0.463 249 P HA 0.078 nan 4.420 nan 0.000 0.269 249 P C -1.043 176.280 177.300 0.038 0.000 1.215 249 P CA -0.602 62.533 63.100 0.059 0.000 0.780 249 P CB 0.650 32.337 31.700 -0.022 0.000 0.898 250 K N -0.204 120.203 120.400 0.012 0.000 2.118 250 K HA 0.573 4.893 4.320 -0.000 0.000 0.254 250 K C -0.884 175.682 176.600 -0.057 0.000 0.961 250 K CA -0.550 55.739 56.287 0.003 0.000 0.876 250 K CB 0.778 33.299 32.500 0.034 0.000 1.077 250 K HN 0.196 nan 8.250 nan 0.000 0.440 251 T N 2.230 116.734 114.554 -0.083 0.000 2.749 251 T HA 0.257 4.607 4.350 -0.000 0.000 0.287 251 T C -0.586 173.995 174.700 -0.198 0.000 0.970 251 T CA -0.748 61.267 62.100 -0.142 0.000 0.980 251 T CB 1.023 69.820 68.868 -0.117 0.000 0.924 251 T HN 0.386 nan 8.240 nan 0.000 0.456 252 V N 5.341 125.043 119.914 -0.353 0.000 2.498 252 V HA 0.406 4.526 4.120 -0.000 0.000 0.279 252 V C 0.413 176.242 176.094 -0.441 0.000 1.048 252 V CA -0.514 61.518 62.300 -0.447 0.000 0.967 252 V CB 0.811 32.191 31.823 -0.739 0.000 0.988 252 V HN 0.724 nan 8.190 nan 0.000 0.473 253 R N 3.570 123.934 120.500 -0.228 0.000 2.435 253 R HA 0.663 5.003 4.340 -0.000 0.000 0.308 253 R C -1.541 174.737 176.300 -0.036 0.000 0.975 253 R CA -0.476 55.538 56.100 -0.143 0.000 0.867 253 R CB 1.997 32.243 30.300 -0.089 0.000 1.171 253 R HN 0.532 nan 8.270 nan 0.000 0.470 254 V N 4.162 124.058 119.914 -0.031 0.000 2.487 254 V HA 0.386 4.506 4.120 -0.000 0.000 0.298 254 V C -2.134 173.997 176.094 0.062 0.000 1.028 254 V CA -2.452 59.894 62.300 0.077 0.000 0.860 254 V CB 1.882 33.733 31.823 0.047 0.000 0.991 254 V HN 0.630 nan 8.190 nan 0.000 0.427 255 P HA 0.132 nan 4.420 nan 0.000 0.266 255 P C -1.254 176.133 177.300 0.144 0.000 1.215 255 P CA 0.296 63.484 63.100 0.147 0.000 0.763 255 P CB 0.028 31.853 31.700 0.208 0.000 0.806 256 Y N 6.154 126.415 120.300 -0.065 0.000 2.307 256 Y HA 0.363 4.913 4.550 -0.000 0.000 0.323 256 Y C -2.653 173.204 175.900 -0.071 0.000 1.100 256 Y CA -2.628 55.374 58.100 -0.163 0.000 1.140 256 Y CB 2.276 40.520 38.460 -0.361 0.000 1.159 256 Y HN 0.245 nan 8.280 nan 0.000 0.436 257 P HA 0.256 nan 4.420 nan 0.000 0.286 257 P C -1.164 176.172 177.300 0.059 0.000 1.321 257 P CA -0.200 62.927 63.100 0.045 0.000 0.790 257 P CB 1.245 32.959 31.700 0.023 0.000 0.897 258 K N 1.920 122.449 120.400 0.214 0.000 2.107 258 K HA 0.532 4.852 4.320 -0.000 0.000 0.251 258 K C 0.484 177.188 176.600 0.175 0.000 1.012 258 K CA -0.788 55.650 56.287 0.252 0.000 0.920 258 K CB 0.651 33.322 32.500 0.286 0.000 1.033 258 K HN 0.426 nan 8.250 nan 0.000 0.478 259 A N 1.027 123.979 122.820 0.219 0.000 2.563 259 A HA 0.258 4.578 4.320 -0.000 0.000 0.256 259 A C 1.190 178.829 177.584 0.092 0.000 1.056 259 A CA 1.136 53.293 52.037 0.200 0.000 0.775 259 A CB -1.337 17.879 19.000 0.360 0.000 0.973 259 A HN 0.917 nan 8.150 nan 0.000 0.516 260 G N 1.126 109.965 108.800 0.065 0.000 2.234 260 G HA2 0.132 4.092 3.960 -0.000 0.000 0.235 260 G HA3 0.132 4.092 3.960 -0.000 0.000 0.235 260 G C 0.749 175.668 174.900 0.032 0.000 0.997 260 G CA 0.577 45.688 45.100 0.018 0.000 0.623 260 G HN 2.157 nan 8.290 nan 0.000 0.514 261 A N -0.015 122.839 122.820 0.057 0.000 2.292 261 A HA 0.668 4.988 4.320 -0.000 0.000 0.265 261 A C 0.935 178.552 177.584 0.055 0.000 1.133 261 A CA 0.516 52.589 52.037 0.059 0.000 0.807 261 A CB 0.347 19.396 19.000 0.081 0.000 1.102 261 A HN 1.182 nan 8.150 nan 0.000 0.502 262 V N 2.450 122.398 119.914 0.056 0.000 2.446 262 V HA 0.023 4.143 4.120 -0.000 0.000 0.276 262 V C 0.370 176.509 176.094 0.075 0.000 1.030 262 V CA -0.139 62.194 62.300 0.056 0.000 1.033 262 V CB -0.354 31.503 31.823 0.056 0.000 0.993 262 V HN 0.764 nan 8.190 nan 0.000 0.477 263 N N 6.800 125.543 118.700 0.073 0.000 2.483 263 N HA 0.389 5.129 4.740 -0.000 0.000 0.269 263 N C -2.274 173.320 175.510 0.139 0.000 1.209 263 N CA -1.440 51.675 53.050 0.109 0.000 0.969 263 N CB 0.895 39.443 38.487 0.101 0.000 1.173 263 N HN 0.393 nan 8.380 nan 0.000 0.475 264 P HA 0.071 nan 4.420 nan 0.000 0.272 264 P C -0.423 177.037 177.300 0.267 0.000 1.223 264 P CA -0.114 63.147 63.100 0.267 0.000 0.784 264 P CB 0.329 32.242 31.700 0.355 0.000 0.923 265 T N -1.493 113.195 114.554 0.224 0.000 2.952 265 T HA 0.618 4.968 4.350 -0.000 0.000 0.286 265 T C -0.362 174.445 174.700 0.179 0.000 1.024 265 T CA -0.866 61.322 62.100 0.146 0.000 1.029 265 T CB 1.548 70.462 68.868 0.076 0.000 1.094 265 T HN 0.328 nan 8.240 nan 0.000 0.515 266 V N 0.494 120.476 119.914 0.114 0.000 2.925 266 V HA 0.746 4.866 4.120 -0.000 0.000 0.311 266 V C -1.617 174.510 176.094 0.055 0.000 1.104 266 V CA -0.855 61.460 62.300 0.026 0.000 0.954 266 V CB 2.124 33.985 31.823 0.062 0.000 1.022 266 V HN 1.056 nan 8.190 nan 0.000 0.427 267 K N 4.582 124.942 120.400 -0.067 0.000 2.469 267 K HA 0.554 4.874 4.320 -0.000 0.000 0.254 267 K C -1.869 174.540 176.600 -0.318 0.000 0.939 267 K CA -0.480 55.705 56.287 -0.170 0.000 0.812 267 K CB 2.864 35.229 32.500 -0.226 0.000 1.301 267 K HN 0.538 nan 8.250 nan 0.000 0.433 268 F N 2.177 121.757 119.950 -0.617 0.000 2.495 268 F HA 0.584 5.111 4.527 -0.000 0.000 0.327 268 F C -1.324 173.866 175.800 -1.016 0.000 1.103 268 F CA -0.632 57.001 58.000 -0.612 0.000 0.949 268 F CB 0.857 39.687 39.000 -0.283 0.000 1.142 268 F HN 0.391 nan 8.300 nan 0.000 0.457 269 F N 3.927 123.213 119.950 -1.107 0.000 2.588 269 F HA 0.703 5.230 4.527 -0.000 0.000 0.310 269 F C -1.019 174.189 175.800 -0.986 0.000 1.082 269 F CA -1.170 56.263 58.000 -0.945 0.000 0.929 269 F CB 2.043 40.348 39.000 -1.159 0.000 1.254 269 F HN 0.094 nan 8.300 nan 0.000 0.455 270 V N 2.733 122.471 119.914 -0.294 0.000 2.735 270 V HA 0.719 4.839 4.120 -0.000 0.000 0.310 270 V C -1.171 175.019 176.094 0.160 0.000 1.061 270 V CA -0.872 61.338 62.300 -0.151 0.000 0.913 270 V CB 2.200 33.760 31.823 -0.438 0.000 1.005 270 V HN 0.591 nan 8.190 nan 0.000 0.428 271 V N 3.784 123.863 119.914 0.274 0.000 2.760 271 V HA 0.562 4.682 4.120 -0.000 0.000 0.309 271 V C -0.740 175.543 176.094 0.314 0.000 1.077 271 V CA -0.637 61.834 62.300 0.285 0.000 0.910 271 V CB 2.283 34.213 31.823 0.178 0.000 1.008 271 V HN 0.929 nan 8.190 nan 0.000 0.424 272 N N 3.405 122.246 118.700 0.234 0.000 2.406 272 N HA 0.165 4.905 4.740 -0.000 0.000 0.251 272 N C 1.099 176.541 175.510 -0.113 0.000 1.069 272 N CA 0.589 53.586 53.050 -0.090 0.000 0.947 272 N CB 1.727 40.136 38.487 -0.130 0.000 1.111 272 N HN 0.889 nan 8.380 nan 0.000 0.497 273 T N -0.395 114.083 114.554 -0.127 0.000 3.055 273 T HA 0.012 4.362 4.350 -0.000 0.000 0.265 273 T C 0.742 175.379 174.700 -0.106 0.000 1.111 273 T CA 0.645 62.706 62.100 -0.064 0.000 1.118 273 T CB 0.181 69.118 68.868 0.115 0.000 0.909 273 T HN 0.290 nan 8.240 nan 0.000 0.501 274 D N 2.032 122.343 120.400 -0.148 0.000 2.289 274 D HA 0.021 4.661 4.640 -0.000 0.000 0.207 274 D C 1.914 178.144 176.300 -0.118 0.000 0.966 274 D CA 1.050 54.974 54.000 -0.127 0.000 0.868 274 D CB 0.009 40.727 40.800 -0.137 0.000 0.943 274 D HN 0.647 nan 8.370 nan 0.000 0.514 275 S N -0.024 115.605 115.700 -0.119 0.000 2.614 275 S HA 0.137 4.606 4.470 -0.000 0.000 0.230 275 S C 0.554 175.087 174.600 -0.111 0.000 0.952 275 S CA -0.526 57.626 58.200 -0.079 0.000 0.949 275 S CB -0.082 63.102 63.200 -0.027 0.000 0.786 275 S HN -0.091 nan 8.310 nan 0.000 0.478 276 L N 3.040 124.136 121.223 -0.213 0.000 2.477 276 L HA 0.364 4.704 4.340 -0.000 0.000 0.272 276 L C 0.492 177.146 176.870 -0.360 0.000 1.157 276 L CA 0.461 55.082 54.840 -0.365 0.000 0.889 276 L CB 0.667 42.312 42.059 -0.689 0.000 1.158 276 L HN 0.328 nan 8.230 nan 0.000 0.473 277 S N 1.166 116.770 115.700 -0.161 0.000 2.565 277 S HA 0.469 4.939 4.470 -0.000 0.000 0.290 277 S C 0.848 175.549 174.600 0.167 0.000 1.150 277 S CA -0.126 58.075 58.200 0.001 0.000 1.058 277 S CB 1.155 64.374 63.200 0.032 0.000 1.032 277 S HN 0.687 nan 8.310 nan 0.000 0.510 278 S N 2.509 118.369 115.700 0.267 0.000 2.540 278 S HA 0.152 4.622 4.470 -0.000 0.000 0.218 278 S C 0.902 175.602 174.600 0.167 0.000 0.977 278 S CA -0.121 58.261 58.200 0.303 0.000 0.918 278 S CB 0.162 63.535 63.200 0.290 0.000 0.806 278 S HN 0.494 nan 8.310 nan 0.000 0.496 279 V N 0.441 120.430 119.914 0.125 0.000 3.263 279 V HA 0.280 4.400 4.120 -0.000 0.000 0.248 279 V C 1.058 177.194 176.094 0.070 0.000 1.145 279 V CA 0.907 63.257 62.300 0.082 0.000 1.107 279 V CB 0.363 32.223 31.823 0.062 0.000 0.797 279 V HN 0.573 nan 8.190 nan 0.000 0.467 280 T N 0.301 114.902 114.554 0.078 0.000 2.893 280 T HA 0.381 4.731 4.350 -0.000 0.000 0.291 280 T C -0.514 174.239 174.700 0.089 0.000 1.028 280 T CA -0.624 61.511 62.100 0.059 0.000 0.995 280 T CB 1.266 70.157 68.868 0.039 0.000 1.051 280 T HN 0.157 nan 8.240 nan 0.000 0.470 281 N N 2.138 120.883 118.700 0.075 0.000 2.454 281 N HA 0.297 5.037 4.740 -0.000 0.000 0.254 281 N C -0.010 175.566 175.510 0.111 0.000 1.228 281 N CA 0.040 53.170 53.050 0.134 0.000 0.900 281 N CB 0.783 39.310 38.487 0.066 0.000 1.089 281 N HN 0.818 nan 8.380 nan 0.000 0.449 282 A N 1.540 124.440 122.820 0.133 0.000 2.454 282 A HA 0.270 4.590 4.320 -0.000 0.000 0.260 282 A C 0.649 178.280 177.584 0.079 0.000 1.106 282 A CA -0.425 51.657 52.037 0.076 0.000 0.780 282 A CB -0.323 18.699 19.000 0.037 0.000 1.044 282 A HN 0.640 nan 8.150 nan 0.000 0.498 283 T N 0.719 115.317 114.554 0.074 0.000 2.889 283 T HA 0.576 4.926 4.350 -0.000 0.000 0.291 283 T C 0.074 174.835 174.700 0.102 0.000 0.995 283 T CA -0.498 61.650 62.100 0.079 0.000 1.092 283 T CB 0.973 69.891 68.868 0.083 0.000 0.954 283 T HN 0.422 nan 8.240 nan 0.000 0.506 284 S N 2.713 118.466 115.700 0.088 0.000 2.498 284 S HA 0.447 4.917 4.470 -0.000 0.000 0.317 284 S C -0.033 174.685 174.600 0.198 0.000 1.090 284 S CA -0.923 57.349 58.200 0.120 0.000 1.089 284 S CB 0.491 63.692 63.200 0.001 0.000 0.997 284 S HN 0.616 nan 8.310 nan 0.000 0.470 285 I N 3.285 124.009 120.570 0.257 0.000 2.436 285 I HA 0.187 4.357 4.170 -0.000 0.000 0.289 285 I C 0.687 176.958 176.117 0.256 0.000 1.083 285 I CA -0.042 61.432 61.300 0.290 0.000 1.372 285 I CB 0.091 38.346 38.000 0.426 0.000 1.408 285 I HN 0.708 nan 8.210 nan 0.000 0.516 286 Q N 6.475 126.425 119.800 0.251 0.000 2.288 286 Q HA 0.418 4.758 4.340 -0.000 0.000 0.258 286 Q C -0.908 175.081 176.000 -0.017 0.000 0.957 286 Q CA -0.349 55.481 55.803 0.044 0.000 0.919 286 Q CB 0.955 29.725 28.738 0.053 0.000 1.185 286 Q HN 0.570 nan 8.270 nan 0.000 0.408 287 I N 4.590 125.108 120.570 -0.086 0.000 2.307 287 I HA 0.186 4.355 4.170 -0.000 0.000 0.289 287 I C 0.355 176.438 176.117 -0.056 0.000 1.021 287 I CA -0.621 60.670 61.300 -0.015 0.000 1.224 287 I CB 1.285 39.302 38.000 0.028 0.000 1.376 287 I HN 0.682 nan 8.210 nan 0.000 0.470 288 T N 3.164 117.655 114.554 -0.106 0.000 2.899 288 T HA 0.612 4.962 4.350 -0.000 0.000 0.295 288 T C 0.408 174.888 174.700 -0.367 0.000 1.033 288 T CA -0.901 61.075 62.100 -0.207 0.000 1.084 288 T CB 1.473 70.230 68.868 -0.184 0.000 0.979 288 T HN 0.585 nan 8.240 nan 0.000 0.532 289 A N 3.154 125.527 122.820 -0.745 0.000 2.406 289 A HA 0.557 4.877 4.320 -0.000 0.000 0.243 289 A C -2.139 174.954 177.584 -0.818 0.000 1.082 289 A CA -1.390 49.786 52.037 -1.434 0.000 0.786 289 A CB -0.875 16.905 19.000 -2.033 0.000 1.029 289 A HN 0.739 nan 8.150 nan 0.000 0.495 290 P HA 0.264 nan 4.420 nan 0.000 0.272 290 P C 0.771 177.861 177.300 -0.349 0.000 1.230 290 P CA 0.447 63.313 63.100 -0.390 0.000 0.788 290 P CB 0.679 32.222 31.700 -0.262 0.000 0.949 291 A N 1.933 124.617 122.820 -0.227 0.000 1.948 291 A HA -0.217 4.102 4.320 -0.000 0.000 0.220 291 A C 2.057 179.539 177.584 -0.170 0.000 1.177 291 A CA 2.448 54.375 52.037 -0.184 0.000 0.636 291 A CB -1.823 17.103 19.000 -0.124 0.000 0.815 291 A HN 0.635 nan 8.150 nan 0.000 0.449 292 S N -1.472 114.148 115.700 -0.133 0.000 2.481 292 S HA -0.026 4.444 4.470 -0.000 0.000 0.231 292 S C 1.737 176.270 174.600 -0.112 0.000 0.996 292 S CA 1.309 59.458 58.200 -0.085 0.000 0.942 292 S CB -0.253 62.961 63.200 0.023 0.000 0.768 292 S HN 0.415 nan 8.310 nan 0.000 0.520 293 M N 1.003 120.462 119.600 -0.235 0.000 2.429 293 M HA 0.326 4.806 4.480 -0.000 0.000 0.265 293 M C 1.950 177.930 176.300 -0.532 0.000 1.120 293 M CA 0.792 55.867 55.300 -0.375 0.000 1.173 293 M CB -1.113 31.136 32.600 -0.586 0.000 1.343 293 M HN 0.331 nan 8.290 nan 0.000 0.464 294 L N 0.982 121.909 121.223 -0.493 0.000 2.456 294 L HA -0.137 4.203 4.340 -0.000 0.000 0.224 294 L C 2.267 179.057 176.870 -0.134 0.000 1.148 294 L CA 0.359 55.004 54.840 -0.325 0.000 0.825 294 L CB -0.999 40.903 42.059 -0.263 0.000 0.937 294 L HN 0.295 nan 8.230 nan 0.000 0.450 295 I N -2.088 118.407 120.570 -0.126 0.000 2.700 295 I HA 0.107 4.277 4.170 -0.000 0.000 0.261 295 I C 1.017 177.115 176.117 -0.032 0.000 1.219 295 I CA 0.925 62.181 61.300 -0.073 0.000 1.463 295 I CB -0.513 37.439 38.000 -0.081 0.000 1.092 295 I HN 0.044 nan 8.210 nan 0.000 0.452 296 G N -0.716 108.087 108.800 0.004 0.000 2.570 296 G HA2 0.267 4.227 3.960 -0.000 0.000 0.310 296 G HA3 0.267 4.227 3.960 -0.000 0.000 0.310 296 G C -1.878 173.100 174.900 0.130 0.000 1.266 296 G CA -0.641 44.482 45.100 0.039 0.000 0.825 296 G HN 0.010 nan 8.290 nan 0.000 0.483 297 D N 1.390 121.810 120.400 0.033 0.000 2.425 297 D HA 0.453 5.093 4.640 -0.000 0.000 0.247 297 D C 0.358 176.610 176.300 -0.080 0.000 1.147 297 D CA 0.692 54.649 54.000 -0.071 0.000 0.879 297 D CB 0.356 41.078 40.800 -0.131 0.000 1.179 297 D HN 0.527 nan 8.370 nan 0.000 0.456 298 H N -0.238 118.686 119.070 -0.242 0.000 2.960 298 H HA 0.466 5.022 4.556 -0.000 0.000 0.323 298 H C -1.327 173.845 175.328 -0.259 0.000 1.326 298 H CA -0.811 55.104 56.048 -0.221 0.000 1.124 298 H CB 0.363 30.117 29.762 -0.012 0.000 1.853 298 H HN 0.283 nan 8.280 nan 0.000 0.536 299 Y N -0.065 120.448 120.300 0.354 0.000 2.545 299 Y HA 0.384 4.933 4.550 -0.000 0.000 0.348 299 Y C -0.339 175.841 175.900 0.465 0.000 1.002 299 Y CA -1.155 57.165 58.100 0.367 0.000 1.039 299 Y CB 1.955 40.502 38.460 0.145 0.000 1.271 299 Y HN 0.495 nan 8.280 nan 0.000 0.467 300 L N 2.919 124.496 121.223 0.591 0.000 2.290 300 L HA 0.392 4.732 4.340 -0.000 0.000 0.284 300 L C 0.437 177.339 176.870 0.054 0.000 1.078 300 L CA -0.120 54.736 54.840 0.026 0.000 0.815 300 L CB 0.419 42.404 42.059 -0.124 0.000 1.162 300 L HN 0.996 nan 8.230 nan 0.000 0.435 301 C N 0.802 119.980 119.300 -0.204 0.000 3.545 301 C HA 0.587 5.047 4.460 -0.000 0.000 0.368 301 C C 0.213 175.013 174.990 -0.317 0.000 1.400 301 C CA -0.188 58.641 59.018 -0.314 0.000 1.848 301 C CB -0.943 26.686 27.740 -0.184 0.000 2.576 301 C HN 0.871 nan 8.230 nan 0.000 0.683 302 D N -0.239 120.002 120.400 -0.266 0.000 2.837 302 D HA 0.598 5.238 4.640 -0.000 0.000 0.220 302 D C -1.533 174.510 176.300 -0.428 0.000 1.236 302 D CA -0.145 53.733 54.000 -0.203 0.000 0.838 302 D CB 2.362 43.038 40.800 -0.208 0.000 1.647 302 D HN 0.034 nan 8.370 nan 0.000 0.486 303 V N 2.541 122.165 119.914 -0.484 0.000 2.525 303 V HA 0.679 4.799 4.120 -0.000 0.000 0.299 303 V C -0.644 175.102 176.094 -0.581 0.000 1.034 303 V CA -0.446 61.345 62.300 -0.848 0.000 0.863 303 V CB 1.975 32.812 31.823 -1.644 0.000 0.999 303 V HN 0.722 nan 8.190 nan 0.000 0.423 304 T N 3.465 117.738 114.554 -0.468 0.000 3.109 304 T HA 0.344 4.694 4.350 -0.000 0.000 0.311 304 T C -0.925 173.641 174.700 -0.223 0.000 1.011 304 T CA -0.493 61.485 62.100 -0.204 0.000 1.026 304 T CB 0.868 69.691 68.868 -0.076 0.000 1.047 304 T HN 0.520 nan 8.240 nan 0.000 0.448 305 W N 2.091 123.331 121.300 -0.100 0.000 2.190 305 W HA 0.486 5.146 4.660 -0.000 0.000 0.330 305 W C 1.119 177.531 176.519 -0.179 0.000 1.299 305 W CA -0.212 57.069 57.345 -0.107 0.000 1.215 305 W CB 0.620 30.097 29.460 0.028 0.000 1.147 305 W HN 0.861 nan 8.180 nan 0.000 0.563 306 A N 1.764 124.514 122.820 -0.115 0.000 1.944 306 A HA 0.170 4.490 4.320 -0.000 0.000 0.209 306 A C 1.020 178.601 177.584 -0.005 0.000 1.328 306 A CA 1.442 53.233 52.037 -0.410 0.000 0.693 306 A CB -0.567 17.730 19.000 -1.171 0.000 0.994 306 A HN 0.526 nan 8.150 nan 0.000 0.485 307 T N -4.884 109.736 114.554 0.109 0.000 2.633 307 T HA 0.352 4.702 4.350 -0.000 0.000 0.262 307 T C 0.514 175.376 174.700 0.270 0.000 0.920 307 T CA -0.246 61.960 62.100 0.177 0.000 1.062 307 T CB 0.566 69.522 68.868 0.146 0.000 1.390 307 T HN 0.046 nan 8.240 nan 0.000 0.549 308 Q N 0.371 120.298 119.800 0.212 0.000 2.230 308 Q HA 0.061 4.401 4.340 -0.000 0.000 0.202 308 Q C 1.024 177.254 176.000 0.383 0.000 0.963 308 Q CA 1.338 57.267 55.803 0.210 0.000 0.866 308 Q CB -0.038 28.805 28.738 0.174 0.000 0.931 308 Q HN 0.804 nan 8.270 nan 0.000 0.452 309 E N -0.031 120.395 120.200 0.377 0.000 2.758 309 E HA 0.209 4.558 4.350 -0.000 0.000 0.215 309 E C -0.114 176.743 176.600 0.427 0.000 0.985 309 E CA -0.181 56.443 56.400 0.372 0.000 1.102 309 E CB 1.090 30.922 29.700 0.219 0.000 1.042 309 E HN -0.015 nan 8.360 nan 0.000 0.480 310 R N 1.486 122.237 120.500 0.418 0.000 2.628 310 R HA 0.633 4.972 4.340 -0.000 0.000 0.288 310 R C -1.730 174.558 176.300 -0.019 0.000 0.980 310 R CA -0.535 55.682 56.100 0.194 0.000 0.891 310 R CB 1.622 31.932 30.300 0.018 0.000 1.188 310 R HN 0.068 nan 8.270 nan 0.000 0.450 311 I N 2.325 122.714 120.570 -0.302 0.000 2.752 311 I HA 0.351 4.521 4.170 -0.000 0.000 0.295 311 I C -1.310 174.480 176.117 -0.545 0.000 1.219 311 I CA -0.397 60.503 61.300 -0.667 0.000 1.030 311 I CB 2.389 39.556 38.000 -1.388 0.000 1.259 311 I HN 0.843 nan 8.210 nan 0.000 0.423 312 S N 7.150 122.530 115.700 -0.532 0.000 2.501 312 S HA 0.832 5.302 4.470 -0.000 0.000 0.301 312 S C -1.193 173.082 174.600 -0.541 0.000 1.096 312 S CA -0.675 57.280 58.200 -0.409 0.000 1.063 312 S CB 1.897 64.970 63.200 -0.212 0.000 1.042 312 S HN 0.415 nan 8.310 nan 0.000 0.494 313 L N 2.176 123.089 121.223 -0.516 0.000 2.385 313 L HA 0.519 4.859 4.340 -0.000 0.000 0.273 313 L C -0.327 176.203 176.870 -0.566 0.000 0.990 313 L CA -0.171 54.240 54.840 -0.714 0.000 0.821 313 L CB 2.024 43.595 42.059 -0.812 0.000 1.279 313 L HN 0.809 nan 8.230 nan 0.000 0.412 314 Q N 2.237 121.652 119.800 -0.642 0.000 2.322 314 Q HA 0.482 4.821 4.340 -0.000 0.000 0.265 314 Q C -1.636 174.061 176.000 -0.504 0.000 0.985 314 Q CA -0.493 55.059 55.803 -0.418 0.000 0.849 314 Q CB 2.075 30.644 28.738 -0.283 0.000 1.274 314 Q HN 0.495 nan 8.270 nan 0.000 0.449 315 W N 2.627 123.867 121.300 -0.100 0.000 2.689 315 W HA 0.626 5.286 4.660 -0.000 0.000 0.340 315 W C -0.717 175.815 176.519 0.021 0.000 1.060 315 W CA -0.531 56.805 57.345 -0.015 0.000 1.218 315 W CB 1.266 30.702 29.460 -0.041 0.000 1.410 315 W HN 0.316 nan 8.180 nan 0.000 0.528 316 L N 3.215 124.649 121.223 0.351 0.000 2.385 316 L HA 0.526 4.866 4.340 -0.000 0.000 0.273 316 L C 0.250 177.303 176.870 0.304 0.000 0.990 316 L CA -1.129 53.877 54.840 0.277 0.000 0.821 316 L CB 1.484 43.699 42.059 0.260 0.000 1.279 316 L HN 0.457 nan 8.230 nan 0.000 0.412 317 R N 2.063 122.708 120.500 0.241 0.000 2.694 317 R HA 0.062 4.402 4.340 -0.000 0.000 0.268 317 R C 1.050 177.414 176.300 0.106 0.000 1.061 317 R CA 0.014 56.214 56.100 0.168 0.000 1.133 317 R CB 0.776 31.179 30.300 0.172 0.000 1.020 317 R HN 0.603 nan 8.270 nan 0.000 0.475 318 R N 2.043 122.513 120.500 -0.051 0.000 2.105 318 R HA -0.098 4.242 4.340 -0.000 0.000 0.239 318 R C 0.273 176.622 176.300 0.081 0.000 1.135 318 R CA 1.265 57.314 56.100 -0.085 0.000 0.967 318 R CB -0.050 30.146 30.300 -0.173 0.000 0.861 318 R HN 0.489 nan 8.270 nan 0.000 0.442 319 I N 2.206 122.813 120.570 0.061 0.000 2.347 319 I HA 0.008 4.177 4.170 -0.000 0.000 0.294 319 I C 0.361 176.541 176.117 0.105 0.000 1.090 319 I CA 0.277 61.618 61.300 0.068 0.000 1.314 319 I CB 1.437 39.464 38.000 0.046 0.000 1.423 319 I HN 0.161 nan 8.210 nan 0.000 0.503 320 Q N 4.803 124.663 119.800 0.100 0.000 2.294 320 Q HA 0.022 4.362 4.340 -0.000 0.000 0.256 320 Q C 0.534 176.619 176.000 0.140 0.000 0.907 320 Q CA -0.095 55.782 55.803 0.124 0.000 0.954 320 Q CB -0.273 28.505 28.738 0.067 0.000 1.102 320 Q HN 0.680 nan 8.270 nan 0.000 0.429 321 N N -0.627 118.153 118.700 0.134 0.000 2.235 321 N HA -0.043 4.697 4.740 -0.000 0.000 0.209 321 N C -0.979 174.641 175.510 0.183 0.000 1.122 321 N CA -0.102 53.018 53.050 0.116 0.000 0.845 321 N CB 0.297 38.826 38.487 0.071 0.000 1.004 321 N HN 0.174 nan 8.380 nan 0.000 0.499 322 Y N 0.874 121.198 120.300 0.040 0.000 2.362 322 Y HA 0.491 5.041 4.550 -0.000 0.000 0.326 322 Y C -1.133 174.799 175.900 0.054 0.000 1.083 322 Y CA -1.009 57.112 58.100 0.036 0.000 1.073 322 Y CB 1.362 39.836 38.460 0.022 0.000 1.211 322 Y HN 0.149 nan 8.280 nan 0.000 0.433 323 S N 4.084 119.589 115.700 -0.325 0.000 2.599 323 S HA 0.949 5.419 4.470 -0.000 0.000 0.287 323 S C -1.924 172.474 174.600 -0.338 0.000 1.105 323 S CA -0.699 57.385 58.200 -0.193 0.000 0.899 323 S CB 2.044 65.197 63.200 -0.079 0.000 1.100 323 S HN 0.466 nan 8.310 nan 0.000 0.482 324 V N 2.542 122.385 119.914 -0.118 0.000 2.686 324 V HA 0.502 4.622 4.120 -0.000 0.000 0.306 324 V C -0.408 175.688 176.094 0.003 0.000 1.065 324 V CA -0.644 61.609 62.300 -0.079 0.000 0.894 324 V CB 1.826 33.637 31.823 -0.019 0.000 1.004 324 V HN 1.044 nan 8.190 nan 0.000 0.424 325 M N 3.143 122.719 119.600 -0.041 0.000 2.409 325 M HA 0.573 5.052 4.480 -0.000 0.000 0.329 325 M C -1.398 174.894 176.300 -0.013 0.000 1.180 325 M CA -0.111 55.147 55.300 -0.070 0.000 1.053 325 M CB 1.443 33.945 32.600 -0.163 0.000 1.586 325 M HN 0.693 nan 8.290 nan 0.000 0.461 326 D N 3.840 124.216 120.400 -0.040 0.000 2.788 326 D HA 0.412 5.052 4.640 -0.000 0.000 0.247 326 D C -1.520 174.733 176.300 -0.079 0.000 1.236 326 D CA -0.274 53.712 54.000 -0.023 0.000 0.898 326 D CB 1.451 42.271 40.800 0.034 0.000 1.401 326 D HN 0.412 nan 8.370 nan 0.000 0.549 327 I N 2.640 123.190 120.570 -0.034 0.000 2.331 327 I HA 0.337 4.507 4.170 -0.000 0.000 0.292 327 I C -0.220 175.884 176.117 -0.021 0.000 0.998 327 I CA -0.247 61.029 61.300 -0.041 0.000 1.267 327 I CB 1.150 39.178 38.000 0.048 0.000 1.386 327 I HN 0.321 nan 8.210 nan 0.000 0.476 328 c N 4.262 122.844 118.600 -0.031 0.000 2.397 328 c HA 0.534 5.104 4.570 -0.000 0.000 0.325 328 c C -0.686 173.565 174.090 0.268 0.000 1.201 328 c CA -0.890 55.493 56.329 0.089 0.000 1.377 328 c CB 0.809 43.344 42.510 0.041 0.000 2.038 328 c HN 0.617 nan 8.230 nan 0.000 0.457 329 D N 0.800 121.342 120.400 0.236 0.000 2.185 329 D HA 0.312 4.951 4.640 -0.000 0.000 0.247 329 D C -0.607 175.640 176.300 -0.088 0.000 1.027 329 D CA -0.215 53.876 54.000 0.151 0.000 0.861 329 D CB 0.939 41.765 40.800 0.042 0.000 1.202 329 D HN 0.585 nan 8.370 nan 0.000 0.453 330 Y N 1.334 121.223 120.300 -0.684 0.000 2.335 330 Y HA 0.138 4.688 4.550 -0.000 0.000 0.331 330 Y C 0.030 175.586 175.900 -0.573 0.000 1.094 330 Y CA -0.119 57.215 58.100 -1.276 0.000 1.253 330 Y CB 0.727 38.199 38.460 -1.647 0.000 1.203 330 Y HN 0.184 nan 8.280 nan 0.000 0.508 331 D N 6.042 125.825 120.400 -1.029 0.000 2.468 331 D HA 0.025 4.665 4.640 -0.000 0.000 0.218 331 D C 0.766 176.447 176.300 -1.031 0.000 1.155 331 D CA 0.176 53.732 54.000 -0.740 0.000 0.924 331 D CB 0.588 41.129 40.800 -0.432 0.000 1.029 331 D HN 0.925 nan 8.370 nan 0.000 0.515 332 E N 1.062 120.783 120.200 -0.799 0.000 2.209 332 E HA -0.196 4.154 4.350 -0.000 0.000 0.196 332 E C 1.568 177.987 176.600 -0.302 0.000 0.993 332 E CA 1.135 57.208 56.400 -0.545 0.000 0.819 332 E CB 0.407 30.032 29.700 -0.125 0.000 0.745 332 E HN 0.408 nan 8.360 nan 0.000 0.477 333 S N -1.576 113.971 115.700 -0.256 0.000 2.486 333 S HA 0.106 4.576 4.470 -0.000 0.000 0.220 333 S C 1.859 176.374 174.600 -0.142 0.000 1.011 333 S CA 0.336 58.449 58.200 -0.144 0.000 0.921 333 S CB 0.631 63.770 63.200 -0.101 0.000 0.785 333 S HN 0.008 nan 8.310 nan 0.000 0.517 334 S N 0.441 116.012 115.700 -0.214 0.000 2.492 334 S HA 0.463 4.933 4.470 -0.000 0.000 0.218 334 S C 1.545 176.067 174.600 -0.130 0.000 1.016 334 S CA 0.399 58.507 58.200 -0.153 0.000 0.916 334 S CB 0.130 63.239 63.200 -0.152 0.000 0.791 334 S HN 1.016 nan 8.310 nan 0.000 0.513 335 G N 1.698 110.358 108.800 -0.233 0.000 2.159 335 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.256 335 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.256 335 G C 0.227 175.160 174.900 0.054 0.000 0.977 335 G CA 0.186 45.269 45.100 -0.028 0.000 0.652 335 G HN 0.376 nan 8.290 nan 0.000 0.531 336 R N -1.674 118.740 120.500 -0.142 0.000 2.843 336 R HA 0.679 5.019 4.340 -0.000 0.000 0.232 336 R C -0.966 175.234 176.300 -0.166 0.000 1.305 336 R CA -0.753 55.346 56.100 -0.003 0.000 1.096 336 R CB 0.768 31.073 30.300 0.009 0.000 1.455 336 R HN 0.147 nan 8.270 nan 0.000 0.520 337 W N 0.391 121.726 121.300 0.058 0.000 2.647 337 W HA 0.356 5.016 4.660 -0.000 0.000 0.328 337 W C -0.932 175.583 176.519 -0.007 0.000 1.018 337 W CA -0.468 56.900 57.345 0.038 0.000 1.245 337 W CB 1.297 30.779 29.460 0.037 0.000 1.356 337 W HN 0.419 nan 8.180 nan 0.000 0.443 338 N N 2.500 121.292 118.700 0.154 0.000 2.446 338 N HA 0.504 5.244 4.740 -0.000 0.000 0.265 338 N C -1.344 174.211 175.510 0.076 0.000 0.975 338 N CA -0.532 52.563 53.050 0.075 0.000 0.928 338 N CB 0.973 39.463 38.487 0.006 0.000 1.160 338 N HN 0.156 nan 8.380 nan 0.000 0.495 339 c N 3.000 121.629 118.600 0.048 0.000 2.239 339 c HA 0.360 4.930 4.570 -0.000 0.000 0.325 339 c C 0.333 174.421 174.090 -0.003 0.000 1.231 339 c CA -1.176 55.165 56.329 0.021 0.000 1.652 339 c CB -0.740 41.770 42.510 0.000 0.000 2.284 339 c HN 0.546 nan 8.230 nan 0.000 0.499 340 L N 3.510 124.731 121.223 -0.003 0.000 2.456 340 L HA 0.089 4.428 4.340 -0.000 0.000 0.272 340 L C 1.357 178.208 176.870 -0.032 0.000 1.189 340 L CA 0.663 55.493 54.840 -0.016 0.000 0.846 340 L CB 1.091 43.144 42.059 -0.011 0.000 1.111 340 L HN 0.675 nan 8.230 nan 0.000 0.475 341 V N 3.419 123.310 119.914 -0.038 0.000 2.548 341 V HA -0.181 3.939 4.120 -0.000 0.000 0.249 341 V C 2.232 178.289 176.094 -0.061 0.000 1.055 341 V CA 1.508 63.778 62.300 -0.049 0.000 1.065 341 V CB -0.770 31.026 31.823 -0.045 0.000 0.681 341 V HN 0.951 nan 8.190 nan 0.000 0.462 342 A N 0.109 122.895 122.820 -0.056 0.000 2.066 342 A HA -0.101 4.219 4.320 -0.000 0.000 0.218 342 A C 2.338 179.857 177.584 -0.109 0.000 1.157 342 A CA 1.058 53.053 52.037 -0.071 0.000 0.670 342 A CB -0.390 18.582 19.000 -0.047 0.000 0.804 342 A HN 0.499 nan 8.150 nan 0.000 0.453 343 R N -0.181 120.269 120.500 -0.084 0.000 2.275 343 R HA 0.055 4.395 4.340 -0.000 0.000 0.199 343 R C 0.113 176.321 176.300 -0.153 0.000 0.989 343 R CA 0.065 56.117 56.100 -0.081 0.000 1.016 343 R CB 0.021 30.326 30.300 0.009 0.000 0.918 343 R HN 0.634 nan 8.270 nan 0.000 0.473 344 Q N 0.722 120.431 119.800 -0.152 0.000 2.311 344 Q HA 0.060 4.400 4.340 -0.000 0.000 0.272 344 Q C -0.482 175.368 176.000 -0.250 0.000 1.012 344 Q CA 0.507 56.235 55.803 -0.126 0.000 0.891 344 Q CB 0.782 29.473 28.738 -0.077 0.000 1.201 344 Q HN 0.221 nan 8.270 nan 0.000 0.391 345 H N 1.785 120.821 119.070 -0.056 0.000 2.621 345 H HA 0.490 5.045 4.556 -0.000 0.000 0.360 345 H C -0.503 174.759 175.328 -0.109 0.000 1.163 345 H CA -0.644 55.362 56.048 -0.071 0.000 1.194 345 H CB 1.407 31.086 29.762 -0.139 0.000 1.649 345 H HN 0.471 nan 8.280 nan 0.000 0.532 346 I N 1.308 121.895 120.570 0.028 0.000 2.530 346 I HA 0.193 4.363 4.170 -0.000 0.000 0.297 346 I C -0.025 176.041 176.117 -0.086 0.000 1.011 346 I CA -0.347 60.888 61.300 -0.109 0.000 1.107 346 I CB 2.144 40.077 38.000 -0.112 0.000 1.285 346 I HN 0.443 nan 8.210 nan 0.000 0.436 347 E N 7.793 127.885 120.200 -0.181 0.000 2.241 347 E HA 0.624 4.974 4.350 -0.000 0.000 0.263 347 E C -1.385 175.127 176.600 -0.147 0.000 0.882 347 E CA -0.682 55.658 56.400 -0.101 0.000 0.769 347 E CB 1.628 31.288 29.700 -0.067 0.000 1.185 347 E HN 0.608 nan 8.360 nan 0.000 0.415 348 M N 1.037 120.604 119.600 -0.055 0.000 2.618 348 M HA 0.616 5.095 4.480 -0.000 0.000 0.281 348 M C -1.242 175.069 176.300 0.018 0.000 1.267 348 M CA -0.946 54.357 55.300 0.005 0.000 0.845 348 M CB 2.337 35.007 32.600 0.116 0.000 1.732 348 M HN 0.240 nan 8.290 nan 0.000 0.461 349 S N -0.295 115.413 115.700 0.013 0.000 2.557 349 S HA 0.571 5.040 4.470 -0.000 0.000 0.291 349 S C 0.288 174.858 174.600 -0.049 0.000 1.116 349 S CA 0.008 58.179 58.200 -0.047 0.000 0.992 349 S CB 1.713 64.829 63.200 -0.140 0.000 1.028 349 S HN 0.910 nan 8.310 nan 0.000 0.484 350 T N 0.111 114.633 114.554 -0.053 0.000 3.044 350 T HA 0.064 4.414 4.350 -0.000 0.000 0.250 350 T C 1.472 176.123 174.700 -0.082 0.000 1.081 350 T CA 0.847 62.920 62.100 -0.045 0.000 1.040 350 T CB -0.315 68.542 68.868 -0.019 0.000 0.962 350 T HN 0.657 nan 8.240 nan 0.000 0.506 351 T N -2.000 112.468 114.554 -0.142 0.000 3.023 351 T HA 0.598 4.948 4.350 -0.000 0.000 0.249 351 T C 1.229 175.693 174.700 -0.393 0.000 1.050 351 T CA 0.413 62.411 62.100 -0.170 0.000 1.088 351 T CB 0.348 69.187 68.868 -0.048 0.000 0.946 351 T HN 0.582 nan 8.240 nan 0.000 0.480 352 G N 0.435 108.816 108.800 -0.698 0.000 2.899 352 G HA2 0.482 4.442 3.960 -0.000 0.000 0.137 352 G HA3 0.482 4.442 3.960 -0.000 0.000 0.137 352 G C -1.615 173.037 174.900 -0.413 0.000 1.198 352 G CA -0.498 44.127 45.100 -0.793 0.000 1.126 352 G HN 0.509 nan 8.290 nan 0.000 0.589 353 W N -0.302 120.765 121.300 -0.388 0.000 2.367 353 W HA 0.776 5.436 4.660 -0.000 0.000 0.369 353 W C -0.339 176.137 176.519 -0.070 0.000 1.276 353 W CA -1.420 55.826 57.345 -0.165 0.000 1.415 353 W CB 1.084 30.452 29.460 -0.154 0.000 1.306 353 W HN 0.441 nan 8.180 nan 0.000 0.669 354 V N 3.359 123.367 119.914 0.158 0.000 2.350 354 V HA 0.755 4.875 4.120 -0.000 0.000 0.276 354 V C 0.337 176.517 176.094 0.143 0.000 1.028 354 V CA 0.649 62.989 62.300 0.066 0.000 0.860 354 V CB 0.045 31.895 31.823 0.044 0.000 0.990 354 V HN 1.647 nan 8.190 nan 0.000 0.453 355 G N 6.363 115.199 108.800 0.060 0.000 2.655 355 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.680 355 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.680 355 G C 0.158 175.134 174.900 0.127 0.000 1.302 355 G CA 0.107 45.263 45.100 0.093 0.000 0.872 355 G HN 0.800 nan 8.290 nan 0.000 0.540 356 R N -1.003 119.554 120.500 0.096 0.000 2.062 356 R HA 0.230 4.570 4.340 -0.000 0.000 0.226 356 R C 1.964 178.159 176.300 -0.174 0.000 1.125 356 R CA 2.100 58.186 56.100 -0.024 0.000 0.966 356 R CB -0.067 30.218 30.300 -0.025 0.000 0.861 356 R HN 0.454 nan 8.270 nan 0.000 0.433 357 F N -0.988 119.097 119.950 0.225 0.000 2.729 357 F HA 0.251 4.778 4.527 -0.000 0.000 0.304 357 F C 0.474 176.309 175.800 0.057 0.000 1.008 357 F CA -0.499 57.586 58.000 0.142 0.000 1.188 357 F CB 0.672 39.752 39.000 0.134 0.000 0.980 357 F HN -0.152 nan 8.300 nan 0.000 0.627 358 R N -0.498 120.138 120.500 0.226 0.000 2.781 358 R HA 0.553 4.893 4.340 -0.000 0.000 0.269 358 R C -3.237 173.117 176.300 0.089 0.000 1.025 358 R CA -2.047 54.110 56.100 0.096 0.000 0.914 358 R CB 0.359 30.660 30.300 0.001 0.000 1.236 358 R HN -0.346 nan 8.270 nan 0.000 0.465 359 P HA -0.065 nan 4.420 nan 0.000 0.266 359 P C -0.358 176.955 177.300 0.022 0.000 1.193 359 P CA 0.046 63.157 63.100 0.018 0.000 0.770 359 P CB 0.716 32.397 31.700 -0.031 0.000 0.836 360 S N 1.607 117.330 115.700 0.038 0.000 2.585 360 S HA 0.109 4.578 4.470 -0.000 0.000 0.273 360 S C 0.106 174.713 174.600 0.013 0.000 1.339 360 S CA -0.644 57.595 58.200 0.064 0.000 1.028 360 S CB 0.032 63.293 63.200 0.101 0.000 0.906 360 S HN 0.448 nan 8.310 nan 0.000 0.528 361 E N 3.611 123.831 120.200 0.033 0.000 2.313 361 E HA 0.464 4.814 4.350 -0.000 0.000 0.272 361 E C -2.817 173.730 176.600 -0.090 0.000 1.038 361 E CA -2.177 54.187 56.400 -0.060 0.000 0.863 361 E CB 0.521 30.187 29.700 -0.057 0.000 1.060 361 E HN 0.382 nan 8.360 nan 0.000 0.402 362 P HA 0.294 nan 4.420 nan 0.000 0.282 362 P C -0.783 176.344 177.300 -0.287 0.000 1.259 362 P CA -0.457 62.498 63.100 -0.241 0.000 0.826 362 P CB 0.816 32.085 31.700 -0.718 0.000 1.064 363 H N 1.446 120.546 119.070 0.049 0.000 2.791 363 H HA 0.284 4.840 4.556 -0.000 0.000 0.272 363 H C -0.343 175.126 175.328 0.235 0.000 1.188 363 H CA -0.329 55.835 56.048 0.193 0.000 1.436 363 H CB -0.002 29.896 29.762 0.226 0.000 1.467 363 H HN 0.295 nan 8.280 nan 0.000 0.500 364 F N 1.728 121.862 119.950 0.307 0.000 2.471 364 F HA 0.027 4.554 4.527 -0.000 0.000 0.353 364 F C 1.532 177.514 175.800 0.302 0.000 1.113 364 F CA 0.056 58.235 58.000 0.298 0.000 1.262 364 F CB 0.752 39.868 39.000 0.194 0.000 1.146 364 F HN 0.261 nan 8.300 nan 0.000 0.578 365 T N 3.389 118.225 114.554 0.469 0.000 2.766 365 T HA 0.029 4.379 4.350 -0.000 0.000 0.295 365 T C 1.258 176.144 174.700 0.310 0.000 1.024 365 T CA -0.768 61.553 62.100 0.368 0.000 1.018 365 T CB 0.693 69.756 68.868 0.325 0.000 1.002 365 T HN 0.517 nan 8.240 nan 0.000 0.532 366 L N 1.588 122.952 121.223 0.236 0.000 2.043 366 L HA -0.164 4.176 4.340 -0.000 0.000 0.212 366 L C 2.253 179.229 176.870 0.177 0.000 1.075 366 L CA 2.098 57.051 54.840 0.190 0.000 0.752 366 L CB -0.865 41.282 42.059 0.148 0.000 0.891 366 L HN 0.858 nan 8.230 nan 0.000 0.432 367 D N -1.621 118.885 120.400 0.175 0.000 2.224 367 D HA -0.013 4.626 4.640 -0.000 0.000 0.205 367 D C 1.756 178.158 176.300 0.169 0.000 0.965 367 D CA 1.108 55.200 54.000 0.154 0.000 0.852 367 D CB -0.535 40.347 40.800 0.137 0.000 0.947 367 D HN 0.427 nan 8.370 nan 0.000 0.494 368 G N 0.372 109.313 108.800 0.235 0.000 2.175 368 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.244 368 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.244 368 G C 0.847 175.949 174.900 0.338 0.000 0.982 368 G CA 0.262 45.522 45.100 0.267 0.000 0.641 368 G HN 0.343 nan 8.290 nan 0.000 0.527 369 N N 0.479 119.338 118.700 0.266 0.000 2.398 369 N HA 0.227 4.967 4.740 -0.000 0.000 0.188 369 N C 0.328 175.948 175.510 0.184 0.000 1.122 369 N CA 1.062 54.242 53.050 0.215 0.000 0.866 369 N CB 0.467 39.036 38.487 0.136 0.000 0.970 369 N HN 0.438 nan 8.380 nan 0.000 0.462 370 S N -0.115 115.717 115.700 0.219 0.000 2.556 370 S HA 0.668 5.138 4.470 -0.000 0.000 0.271 370 S C -1.188 173.409 174.600 -0.004 0.000 1.135 370 S CA -0.847 57.323 58.200 -0.050 0.000 0.858 370 S CB 1.718 64.839 63.200 -0.133 0.000 1.114 370 S HN 0.224 nan 8.310 nan 0.000 0.468 371 F N -0.631 119.058 119.950 -0.436 0.000 2.619 371 F HA 0.757 5.284 4.527 -0.000 0.000 0.308 371 F C -1.983 173.583 175.800 -0.390 0.000 1.097 371 F CA -1.316 56.377 58.000 -0.511 0.000 0.953 371 F CB 0.624 38.921 39.000 -1.172 0.000 1.287 371 F HN 0.479 nan 8.300 nan 0.000 0.446 372 Y N 1.789 122.184 120.300 0.157 0.000 2.330 372 Y HA 0.618 5.168 4.550 -0.000 0.000 0.336 372 Y C -0.090 175.956 175.900 0.244 0.000 1.036 372 Y CA -0.654 57.544 58.100 0.163 0.000 1.125 372 Y CB 1.881 40.420 38.460 0.133 0.000 1.194 372 Y HN 0.714 nan 8.280 nan 0.000 0.469 373 K N 3.941 124.549 120.400 0.348 0.000 2.553 373 K HA 0.472 4.792 4.320 -0.000 0.000 0.250 373 K C -1.551 175.187 176.600 0.229 0.000 0.953 373 K CA -0.536 55.927 56.287 0.293 0.000 0.800 373 K CB 1.282 33.936 32.500 0.258 0.000 1.243 373 K HN 0.727 nan 8.250 nan 0.000 0.435 374 I N 6.724 127.404 120.570 0.184 0.000 2.517 374 I HA 0.147 4.317 4.170 -0.000 0.000 0.285 374 I C 0.281 176.486 176.117 0.146 0.000 1.106 374 I CA 0.011 61.397 61.300 0.144 0.000 1.402 374 I CB 0.029 38.096 38.000 0.112 0.000 1.399 374 I HN 0.496 nan 8.210 nan 0.000 0.535 375 I N 2.085 122.768 120.570 0.188 0.000 3.074 375 I HA 0.481 4.651 4.170 -0.000 0.000 0.310 375 I C -0.219 176.010 176.117 0.187 0.000 1.153 375 I CA -0.851 60.559 61.300 0.184 0.000 0.993 375 I CB 2.096 40.228 38.000 0.220 0.000 1.237 375 I HN 0.328 nan 8.210 nan 0.000 0.443 376 S N 2.767 118.523 115.700 0.093 0.000 2.481 376 S HA 0.239 4.709 4.470 -0.000 0.000 0.276 376 S C 0.042 174.673 174.600 0.052 0.000 1.247 376 S CA -0.514 57.691 58.200 0.009 0.000 1.053 376 S CB -0.339 62.821 63.200 -0.066 0.000 0.925 376 S HN 0.824 nan 8.310 nan 0.000 0.491 377 N N 3.867 122.503 118.700 -0.107 0.000 2.332 377 N HA 0.084 4.824 4.740 -0.000 0.000 0.282 377 N C 1.282 176.704 175.510 -0.147 0.000 1.288 377 N CA -0.083 52.788 53.050 -0.300 0.000 0.949 377 N CB -0.045 37.845 38.487 -0.994 0.000 1.108 377 N HN 0.659 nan 8.380 nan 0.000 0.542 378 E N -0.702 119.401 120.200 -0.163 0.000 2.209 378 E HA -0.262 4.088 4.350 -0.000 0.000 0.196 378 E C -0.130 176.418 176.600 -0.086 0.000 0.993 378 E CA 1.498 57.848 56.400 -0.083 0.000 0.819 378 E CB -0.562 29.096 29.700 -0.070 0.000 0.745 378 E HN 0.917 nan 8.360 nan 0.000 0.477 379 E N -0.297 119.840 120.200 -0.104 0.000 2.815 379 E HA 0.390 4.740 4.350 -0.000 0.000 0.211 379 E C 0.625 177.165 176.600 -0.099 0.000 1.004 379 E CA -0.012 56.349 56.400 -0.065 0.000 1.173 379 E CB 0.356 30.045 29.700 -0.018 0.000 1.163 379 E HN 0.220 nan 8.360 nan 0.000 0.449 380 G N 0.830 109.530 108.800 -0.166 0.000 2.212 380 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.266 380 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.266 380 G C -0.225 174.429 174.900 -0.410 0.000 0.978 380 G CA 0.440 45.360 45.100 -0.299 0.000 0.632 380 G HN 0.441 nan 8.290 nan 0.000 0.537 381 Y N 0.856 121.036 120.300 -0.201 0.000 2.308 381 Y HA 0.581 5.131 4.550 -0.000 0.000 0.329 381 Y C 1.328 177.102 175.900 -0.211 0.000 1.111 381 Y CA -0.626 57.349 58.100 -0.208 0.000 1.179 381 Y CB 0.834 39.196 38.460 -0.162 0.000 1.201 381 Y HN 0.051 nan 8.280 nan 0.000 0.483 382 R N 3.997 124.393 120.500 -0.173 0.000 2.202 382 R HA 0.321 4.660 4.340 -0.000 0.000 0.334 382 R C -0.843 175.188 176.300 -0.449 0.000 1.036 382 R CA -0.321 55.661 56.100 -0.196 0.000 0.878 382 R CB 0.337 30.556 30.300 -0.135 0.000 1.067 382 R HN 0.692 nan 8.270 nan 0.000 0.457 383 H N 1.795 120.821 119.070 -0.074 0.000 2.949 383 H HA 0.343 4.898 4.556 -0.000 0.000 0.356 383 H C -0.071 175.309 175.328 0.087 0.000 1.212 383 H CA -0.969 55.018 56.048 -0.100 0.000 1.136 383 H CB 1.850 31.451 29.762 -0.268 0.000 1.869 383 H HN 0.309 nan 8.280 nan 0.000 0.556 384 I N 1.389 122.028 120.570 0.115 0.000 2.452 384 I HA 0.021 4.190 4.170 -0.000 0.000 0.287 384 I C 0.363 176.506 176.117 0.043 0.000 1.079 384 I CA 0.144 61.484 61.300 0.065 0.000 1.387 384 I CB 0.275 38.239 38.000 -0.059 0.000 1.404 384 I HN 0.144 nan 8.210 nan 0.000 0.522 385 c N 6.977 125.538 118.600 -0.066 0.000 2.355 385 c HA 0.342 4.912 4.570 -0.000 0.000 0.332 385 c C -0.184 173.701 174.090 -0.341 0.000 1.255 385 c CA -0.600 55.459 56.329 -0.450 0.000 1.792 385 c CB 0.653 42.634 42.510 -0.881 0.000 2.300 385 c HN 0.693 nan 8.230 nan 0.000 0.515 386 Y N 4.529 124.476 120.300 -0.589 0.000 2.383 386 Y HA 0.560 5.110 4.550 -0.000 0.000 0.344 386 Y C -0.807 174.621 175.900 -0.787 0.000 0.986 386 Y CA -0.290 57.437 58.100 -0.622 0.000 1.175 386 Y CB 0.244 38.457 38.460 -0.412 0.000 1.152 386 Y HN 0.652 nan 8.280 nan 0.000 0.511 387 F N 3.924 123.103 119.950 -1.285 0.000 2.450 387 F HA 0.374 4.901 4.527 -0.000 0.000 0.332 387 F C -0.274 174.792 175.800 -1.223 0.000 1.093 387 F CA -0.716 56.513 58.000 -1.285 0.000 1.003 387 F CB 1.685 39.537 39.000 -1.912 0.000 1.151 387 F HN 0.411 nan 8.300 nan 0.000 0.474 388 Q N 2.525 122.023 119.800 -0.504 0.000 2.256 388 Q HA 0.365 4.705 4.340 -0.000 0.000 0.257 388 Q C 0.926 176.945 176.000 0.032 0.000 0.936 388 Q CA -0.364 55.278 55.803 -0.267 0.000 0.903 388 Q CB 1.238 29.872 28.738 -0.174 0.000 1.263 388 Q HN 0.485 nan 8.270 nan 0.000 0.440 389 I N 1.651 122.297 120.570 0.127 0.000 2.248 389 I HA -0.283 3.887 4.170 -0.000 0.000 0.248 389 I C 0.601 176.837 176.117 0.199 0.000 1.107 389 I CA 1.378 62.869 61.300 0.318 0.000 1.373 389 I CB -0.685 37.469 38.000 0.256 0.000 1.055 389 I HN 0.652 nan 8.210 nan 0.000 0.418 390 D N 1.256 121.711 120.400 0.092 0.000 2.096 390 D HA -0.076 4.564 4.640 -0.000 0.000 0.214 390 D C 1.105 177.404 176.300 -0.001 0.000 0.974 390 D CA 0.918 54.934 54.000 0.027 0.000 0.890 390 D CB -0.423 40.385 40.800 0.014 0.000 1.016 390 D HN 0.403 nan 8.370 nan 0.000 0.447 391 K N 1.393 121.801 120.400 0.013 0.000 2.326 391 K HA 0.144 4.464 4.320 -0.000 0.000 0.275 391 K C 0.540 177.176 176.600 0.061 0.000 1.018 391 K CA -0.326 55.963 56.287 0.005 0.000 0.962 391 K CB 1.120 33.612 32.500 -0.014 0.000 0.953 391 K HN -0.192 nan 8.250 nan 0.000 0.475 392 K N 1.442 121.856 120.400 0.023 0.000 2.211 392 K HA -0.035 4.285 4.320 -0.000 0.000 0.203 392 K C -0.011 176.689 176.600 0.167 0.000 1.050 392 K CA 0.990 57.328 56.287 0.086 0.000 0.945 392 K CB -0.222 32.291 32.500 0.021 0.000 0.732 392 K HN 0.688 nan 8.250 nan 0.000 0.451 393 D N 0.963 121.386 120.400 0.037 0.000 2.358 393 D HA 0.104 4.744 4.640 -0.000 0.000 0.244 393 D C 0.547 176.697 176.300 -0.250 0.000 1.163 393 D CA -0.064 53.895 54.000 -0.068 0.000 0.945 393 D CB 1.160 41.912 40.800 -0.081 0.000 1.152 393 D HN 0.217 nan 8.370 nan 0.000 0.451 394 c N -1.374 116.940 118.600 -0.476 0.000 3.171 394 c HA 0.833 5.402 4.570 -0.000 0.000 0.308 394 c C -0.319 173.405 174.090 -0.611 0.000 1.334 394 c CA -0.819 55.017 56.329 -0.821 0.000 1.473 394 c CB 1.241 42.666 42.510 -1.808 0.000 1.866 394 c HN 0.663 nan 8.230 nan 0.000 0.465 395 T N -0.779 113.453 114.554 -0.536 0.000 2.807 395 T HA 0.662 5.012 4.350 -0.000 0.000 0.279 395 T C -0.822 173.633 174.700 -0.408 0.000 0.993 395 T CA -0.222 61.674 62.100 -0.341 0.000 0.970 395 T CB 0.749 69.548 68.868 -0.115 0.000 0.950 395 T HN 0.545 nan 8.240 nan 0.000 0.441 396 F N 2.686 122.510 119.950 -0.210 0.000 2.495 396 F HA 0.306 4.833 4.527 -0.000 0.000 0.365 396 F C 1.720 177.344 175.800 -0.294 0.000 1.090 396 F CA -1.093 56.765 58.000 -0.236 0.000 1.235 396 F CB 0.605 39.465 39.000 -0.233 0.000 1.119 396 F HN 0.683 nan 8.300 nan 0.000 0.562 397 I N -0.796 119.647 120.570 -0.213 0.000 3.783 397 I HA 0.189 4.359 4.170 -0.000 0.000 0.310 397 I C 0.189 176.126 176.117 -0.300 0.000 1.274 397 I CA 0.157 61.141 61.300 -0.527 0.000 1.294 397 I CB -0.084 37.385 38.000 -0.885 0.000 1.051 397 I HN 0.484 nan 8.210 nan 0.000 0.435 398 T N -0.364 114.074 114.554 -0.194 0.000 2.893 398 T HA 0.659 5.009 4.350 -0.000 0.000 0.293 398 T C -0.684 173.657 174.700 -0.599 0.000 1.027 398 T CA -0.792 61.176 62.100 -0.220 0.000 0.988 398 T CB 2.502 71.309 68.868 -0.100 0.000 1.043 398 T HN 0.233 nan 8.240 nan 0.000 0.461 399 K N 0.611 120.601 120.400 -0.683 0.000 2.480 399 K HA 0.889 5.209 4.320 -0.000 0.000 0.258 399 K C -0.242 175.800 176.600 -0.929 0.000 0.990 399 K CA -1.136 54.580 56.287 -0.953 0.000 0.857 399 K CB 2.381 34.602 32.500 -0.465 0.000 1.384 399 K HN 1.248 nan 8.250 nan 0.000 0.446 400 G N -0.253 108.004 108.800 -0.904 0.000 2.347 400 G HA2 -0.050 3.909 3.960 -0.000 0.000 0.477 400 G HA3 -0.050 3.909 3.960 -0.000 0.000 0.477 400 G C -0.634 173.739 174.900 -0.878 0.000 1.349 400 G CA -0.629 44.085 45.100 -0.643 0.000 1.000 400 G HN 0.590 nan 8.290 nan 0.000 0.605 401 T N -0.451 113.729 114.554 -0.622 0.000 4.058 401 T HA 0.542 4.892 4.350 -0.000 0.000 0.252 401 T C 0.287 174.734 174.700 -0.421 0.000 1.264 401 T CA 0.609 62.117 62.100 -0.986 0.000 1.094 401 T CB -0.933 67.665 68.868 -0.450 0.000 1.316 401 T HN 1.459 nan 8.240 nan 0.000 0.872 402 W N -0.501 120.525 121.300 -0.456 0.000 2.923 402 W HA 0.677 5.337 4.660 -0.000 0.000 0.373 402 W C -1.454 175.032 176.519 -0.054 0.000 1.205 402 W CA -1.030 56.251 57.345 -0.107 0.000 1.180 402 W CB 0.735 30.146 29.460 -0.082 0.000 1.477 402 W HN 0.131 nan 8.180 nan 0.000 0.581 403 E N 0.856 121.193 120.200 0.229 0.000 2.293 403 E HA 0.417 4.767 4.350 -0.000 0.000 0.270 403 E C -1.141 175.531 176.600 0.121 0.000 0.879 403 E CA -1.101 55.250 56.400 -0.082 0.000 0.756 403 E CB 3.454 33.178 29.700 0.042 0.000 1.208 403 E HN 0.164 nan 8.360 nan 0.000 0.428 404 V N 4.516 124.372 119.914 -0.096 0.000 2.508 404 V HA -0.000 4.119 4.120 -0.000 0.000 0.281 404 V C 1.250 177.428 176.094 0.141 0.000 1.041 404 V CA 0.040 62.410 62.300 0.117 0.000 1.016 404 V CB 0.504 32.295 31.823 -0.054 0.000 0.984 404 V HN 0.699 nan 8.190 nan 0.000 0.478 405 I N 3.274 123.967 120.570 0.204 0.000 2.339 405 I HA 0.234 4.403 4.170 -0.000 0.000 0.245 405 I C 1.131 177.370 176.117 0.203 0.000 1.096 405 I CA 1.167 62.585 61.300 0.197 0.000 1.408 405 I CB -0.839 37.220 38.000 0.099 0.000 1.092 405 I HN 0.739 nan 8.210 nan 0.000 0.423 406 G N 0.904 109.824 108.800 0.201 0.000 2.733 406 G HA2 0.529 4.489 3.960 -0.000 0.000 0.297 406 G HA3 0.529 4.489 3.960 -0.000 0.000 0.297 406 G C -1.104 173.901 174.900 0.175 0.000 1.452 406 G CA -0.550 44.666 45.100 0.194 0.000 0.940 406 G HN -0.018 nan 8.290 nan 0.000 0.547 407 I N 2.142 122.768 120.570 0.093 0.000 2.452 407 I HA 0.165 4.335 4.170 -0.000 0.000 0.287 407 I C 0.906 176.943 176.117 -0.133 0.000 1.079 407 I CA -0.378 60.874 61.300 -0.080 0.000 1.387 407 I CB 1.372 39.165 38.000 -0.345 0.000 1.404 407 I HN 0.502 nan 8.210 nan 0.000 0.522 408 E N 5.110 125.301 120.200 -0.015 0.000 2.162 408 E HA 0.287 4.637 4.350 -0.000 0.000 0.193 408 E C 0.287 176.835 176.600 -0.087 0.000 0.953 408 E CA 0.367 56.802 56.400 0.058 0.000 0.849 408 E CB 0.474 30.306 29.700 0.220 0.000 0.810 408 E HN 0.687 nan 8.360 nan 0.000 0.470 409 A N 0.782 123.463 122.820 -0.231 0.000 2.604 409 A HA 0.649 4.969 4.320 -0.000 0.000 0.295 409 A C -1.499 175.991 177.584 -0.158 0.000 1.067 409 A CA -0.805 51.036 52.037 -0.326 0.000 0.683 409 A CB 1.100 19.500 19.000 -0.999 0.000 1.281 409 A HN 0.142 nan 8.150 nan 0.000 0.407 410 L N 0.141 121.320 121.223 -0.074 0.000 2.410 410 L HA 0.966 5.306 4.340 -0.000 0.000 0.270 410 L C -0.220 176.668 176.870 0.029 0.000 0.983 410 L CA -0.293 54.524 54.840 -0.038 0.000 0.822 410 L CB 2.213 44.265 42.059 -0.012 0.000 1.285 410 L HN 0.915 nan 8.230 nan 0.000 0.409 411 T N -1.199 113.374 114.554 0.032 0.000 2.905 411 T HA 0.373 4.723 4.350 -0.000 0.000 0.283 411 T C 1.120 175.845 174.700 0.041 0.000 1.031 411 T CA -0.062 62.075 62.100 0.060 0.000 1.002 411 T CB 1.364 70.290 68.868 0.097 0.000 1.200 411 T HN 0.801 nan 8.240 nan 0.000 0.560 412 S N -0.521 115.202 115.700 0.039 0.000 2.474 412 S HA -0.069 4.401 4.470 -0.000 0.000 0.235 412 S C 0.768 175.336 174.600 -0.054 0.000 0.997 412 S CA 0.911 59.125 58.200 0.023 0.000 0.949 412 S CB -0.464 62.754 63.200 0.029 0.000 0.766 412 S HN 0.714 nan 8.310 nan 0.000 0.517 413 D N -0.642 119.683 120.400 -0.125 0.000 2.716 413 D HA 0.239 4.879 4.640 -0.000 0.000 0.273 413 D C -0.266 175.748 176.300 -0.477 0.000 1.024 413 D CA 0.537 54.334 54.000 -0.338 0.000 0.944 413 D CB 0.151 40.678 40.800 -0.456 0.000 1.186 413 D HN 0.425 nan 8.370 nan 0.000 0.485 414 Y N 0.402 120.617 120.300 -0.142 0.000 2.509 414 Y HA 0.434 4.984 4.550 -0.000 0.000 0.341 414 Y C -0.120 175.549 175.900 -0.385 0.000 1.038 414 Y CA -1.116 56.801 58.100 -0.306 0.000 1.089 414 Y CB 2.431 40.602 38.460 -0.481 0.000 1.241 414 Y HN -0.190 nan 8.280 nan 0.000 0.468 415 L N 3.570 124.636 121.223 -0.262 0.000 2.333 415 L HA 0.489 4.829 4.340 -0.000 0.000 0.280 415 L C -1.865 174.799 176.870 -0.344 0.000 1.004 415 L CA -0.830 53.825 54.840 -0.309 0.000 0.820 415 L CB 0.892 42.733 42.059 -0.364 0.000 1.247 415 L HN 0.668 nan 8.230 nan 0.000 0.416 416 Y N 5.595 125.825 120.300 -0.117 0.000 2.341 416 Y HA 0.540 5.090 4.550 -0.000 0.000 0.337 416 Y C -0.145 175.769 175.900 0.024 0.000 1.014 416 Y CA -0.384 57.655 58.100 -0.102 0.000 1.111 416 Y CB 1.490 39.815 38.460 -0.226 0.000 1.194 416 Y HN 0.565 nan 8.280 nan 0.000 0.462 417 Y N 0.117 120.482 120.300 0.108 0.000 2.655 417 Y HA 0.848 5.398 4.550 -0.000 0.000 0.336 417 Y C -1.888 174.103 175.900 0.151 0.000 1.154 417 Y CA -1.991 56.166 58.100 0.095 0.000 1.055 417 Y CB 1.259 39.754 38.460 0.059 0.000 1.295 417 Y HN 0.421 nan 8.280 nan 0.000 0.465 418 I N 2.707 123.453 120.570 0.293 0.000 2.509 418 I HA 0.667 4.837 4.170 -0.000 0.000 0.293 418 I C -0.594 175.715 176.117 0.321 0.000 1.020 418 I CA -0.484 60.929 61.300 0.190 0.000 1.088 418 I CB 2.146 40.205 38.000 0.099 0.000 1.267 418 I HN 0.884 nan 8.210 nan 0.000 0.430 419 S N 3.006 118.872 115.700 0.276 0.000 2.625 419 S HA 0.426 4.896 4.470 -0.000 0.000 0.271 419 S C -0.767 173.917 174.600 0.139 0.000 1.161 419 S CA -0.891 57.470 58.200 0.269 0.000 0.820 419 S CB 1.677 65.112 63.200 0.393 0.000 1.137 419 S HN 0.632 nan 8.310 nan 0.000 0.470 420 N N -0.297 118.475 118.700 0.120 0.000 2.453 420 N HA 0.191 4.931 4.740 -0.000 0.000 0.270 420 N C 0.383 175.888 175.510 -0.008 0.000 1.195 420 N CA -0.438 52.630 53.050 0.030 0.000 0.902 420 N CB 0.439 38.923 38.487 -0.005 0.000 1.186 420 N HN 0.795 nan 8.380 nan 0.000 0.510 421 E N -0.007 120.087 120.200 -0.177 0.000 2.051 421 E HA -0.104 4.246 4.350 -0.000 0.000 0.189 421 E C -0.394 176.089 176.600 -0.195 0.000 0.979 421 E CA -0.037 56.065 56.400 -0.498 0.000 0.803 421 E CB -0.038 28.769 29.700 -1.488 0.000 0.761 421 E HN 0.486 nan 8.360 nan 0.000 0.451 422 Y N 2.041 122.255 120.300 -0.144 0.000 2.865 422 Y HA -0.206 4.344 4.550 -0.000 0.000 0.338 422 Y C 0.375 176.232 175.900 -0.071 0.000 1.269 422 Y CA 1.066 59.120 58.100 -0.077 0.000 1.585 422 Y CB 0.170 38.603 38.460 -0.045 0.000 1.224 422 Y HN 0.117 nan 8.280 nan 0.000 0.554 423 K N 3.168 123.279 120.400 -0.482 0.000 3.274 423 K HA -0.256 4.064 4.320 -0.000 0.000 0.305 423 K C 0.731 177.255 176.600 -0.127 0.000 1.225 423 K CA 0.760 56.839 56.287 -0.347 0.000 0.904 423 K CB -1.879 30.393 32.500 -0.380 0.000 1.227 423 K HN 1.240 nan 8.250 nan 0.000 0.453 424 G N 0.788 109.523 108.800 -0.107 0.000 2.273 424 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.280 424 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.280 424 G C -0.056 174.811 174.900 -0.055 0.000 1.047 424 G CA 0.806 45.883 45.100 -0.039 0.000 0.869 424 G HN 0.302 nan 8.290 nan 0.000 0.502 425 M N -0.226 119.268 119.600 -0.176 0.000 2.066 425 M HA 0.280 4.760 4.480 -0.000 0.000 0.340 425 M C -1.337 174.705 176.300 -0.430 0.000 1.053 425 M CA -2.157 52.859 55.300 -0.474 0.000 0.983 425 M CB 1.975 34.358 32.600 -0.362 0.000 1.520 425 M HN -0.133 nan 8.290 nan 0.000 0.428 426 P HA -0.074 nan 4.420 nan 0.000 0.218 426 P C 1.205 178.353 177.300 -0.254 0.000 1.149 426 P CA 1.023 63.932 63.100 -0.317 0.000 0.817 426 P CB 0.186 31.683 31.700 -0.338 0.000 0.785 427 G N -1.002 107.591 108.800 -0.345 0.000 3.088 427 G HA2 0.219 4.179 3.960 -0.000 0.000 0.212 427 G HA3 0.219 4.179 3.960 -0.000 0.000 0.212 427 G C 0.662 175.553 174.900 -0.014 0.000 1.173 427 G CA 0.079 45.104 45.100 -0.124 0.000 0.779 427 G HN 0.376 nan 8.290 nan 0.000 0.540 428 G N -0.055 108.678 108.800 -0.112 0.000 2.410 428 G HA2 0.611 4.571 3.960 -0.000 0.000 0.330 428 G HA3 0.611 4.571 3.960 -0.000 0.000 0.330 428 G C -0.698 174.082 174.900 -0.200 0.000 1.142 428 G CA -0.724 44.336 45.100 -0.067 0.000 0.902 428 G HN 0.076 nan 8.290 nan 0.000 0.491 429 R N 0.993 121.327 120.500 -0.277 0.000 2.532 429 R HA 0.404 4.744 4.340 -0.000 0.000 0.297 429 R C -1.189 175.059 176.300 -0.086 0.000 0.984 429 R CA -0.814 55.099 56.100 -0.313 0.000 0.884 429 R CB 1.981 31.845 30.300 -0.727 0.000 1.182 429 R HN 0.684 nan 8.270 nan 0.000 0.442 430 N N 0.563 119.215 118.700 -0.080 0.000 2.329 430 N HA 0.402 5.142 4.740 -0.000 0.000 0.282 430 N C -1.535 173.767 175.510 -0.346 0.000 1.198 430 N CA -0.796 52.103 53.050 -0.251 0.000 0.790 430 N CB 2.098 40.319 38.487 -0.444 0.000 1.579 430 N HN 0.257 nan 8.380 nan 0.000 0.475 431 L N 2.111 123.004 121.223 -0.551 0.000 2.276 431 L HA 0.512 4.852 4.340 -0.000 0.000 0.286 431 L C -1.624 174.824 176.870 -0.703 0.000 1.061 431 L CA -0.075 54.484 54.840 -0.469 0.000 0.807 431 L CB -0.074 41.741 42.059 -0.407 0.000 1.177 431 L HN 0.502 nan 8.230 nan 0.000 0.429 432 Y N 3.962 123.921 120.300 -0.568 0.000 2.446 432 Y HA 0.496 5.045 4.550 -0.000 0.000 0.345 432 Y C -0.179 175.416 175.900 -0.508 0.000 0.984 432 Y CA -0.672 57.039 58.100 -0.648 0.000 1.058 432 Y CB 1.726 39.559 38.460 -1.045 0.000 1.220 432 Y HN 0.467 nan 8.280 nan 0.000 0.455 433 K N 4.254 124.530 120.400 -0.207 0.000 2.274 433 K HA 0.594 4.914 4.320 -0.000 0.000 0.262 433 K C -1.682 174.844 176.600 -0.123 0.000 0.961 433 K CA -0.583 55.522 56.287 -0.304 0.000 0.833 433 K CB 1.238 33.480 32.500 -0.431 0.000 1.102 433 K HN 0.842 nan 8.250 nan 0.000 0.436 434 I N 3.665 124.209 120.570 -0.043 0.000 2.418 434 I HA 0.174 4.344 4.170 -0.000 0.000 0.287 434 I C -0.709 175.506 176.117 0.164 0.000 1.008 434 I CA -0.646 60.726 61.300 0.119 0.000 1.104 434 I CB 1.745 39.869 38.000 0.207 0.000 1.264 434 I HN 0.715 nan 8.210 nan 0.000 0.438 435 Q N 5.247 125.179 119.800 0.221 0.000 2.286 435 Q HA 0.120 4.460 4.340 -0.000 0.000 0.267 435 Q C 0.265 176.285 176.000 0.033 0.000 1.028 435 Q CA -0.443 55.427 55.803 0.112 0.000 0.901 435 Q CB 1.306 30.096 28.738 0.085 0.000 1.183 435 Q HN 0.778 nan 8.270 nan 0.000 0.392 436 L N 2.863 124.044 121.223 -0.070 0.000 2.131 436 L HA -0.211 4.129 4.340 -0.000 0.000 0.210 436 L C 2.341 179.048 176.870 -0.272 0.000 1.092 436 L CA 1.969 56.786 54.840 -0.039 0.000 0.759 436 L CB -0.758 41.260 42.059 -0.069 0.000 0.903 436 L HN 0.764 nan 8.230 nan 0.000 0.435 437 S N -2.478 113.064 115.700 -0.262 0.000 2.406 437 S HA -0.049 4.421 4.470 -0.000 0.000 0.228 437 S C 0.827 175.225 174.600 -0.337 0.000 1.020 437 S CA 0.547 58.576 58.200 -0.285 0.000 0.965 437 S CB -0.050 63.029 63.200 -0.201 0.000 0.798 437 S HN 0.395 nan 8.310 nan 0.000 0.488 438 D N -0.324 119.913 120.400 -0.271 0.000 2.402 438 D HA 0.284 4.924 4.640 -0.000 0.000 0.252 438 D C -0.624 175.638 176.300 -0.063 0.000 1.294 438 D CA -0.640 53.242 54.000 -0.196 0.000 0.948 438 D CB 0.718 41.464 40.800 -0.090 0.000 1.202 438 D HN 0.012 nan 8.370 nan 0.000 0.561 439 Y N 1.054 121.336 120.300 -0.030 0.000 2.509 439 Y HA -0.099 4.451 4.550 -0.000 0.000 0.293 439 Y C 2.579 178.485 175.900 0.010 0.000 1.133 439 Y CA 1.249 59.341 58.100 -0.013 0.000 1.283 439 Y CB -0.660 37.786 38.460 -0.024 0.000 1.001 439 Y HN 0.419 nan 8.280 nan 0.000 0.555 440 T N -2.648 111.988 114.554 0.138 0.000 3.055 440 T HA -0.045 4.305 4.350 -0.000 0.000 0.265 440 T C 0.882 175.630 174.700 0.081 0.000 1.111 440 T CA 0.303 62.457 62.100 0.091 0.000 1.118 440 T CB -0.194 68.705 68.868 0.051 0.000 0.909 440 T HN 0.082 nan 8.240 nan 0.000 0.501 441 K N 2.169 122.619 120.400 0.084 0.000 2.142 441 K HA 0.420 4.740 4.320 -0.000 0.000 0.250 441 K C -1.179 175.481 176.600 0.099 0.000 1.148 441 K CA -0.273 56.061 56.287 0.078 0.000 1.040 441 K CB 0.595 33.137 32.500 0.070 0.000 1.569 441 K HN 0.178 nan 8.250 nan 0.000 0.361 442 V N 2.260 122.230 119.914 0.093 0.000 2.370 442 V HA 0.231 4.350 4.120 -0.000 0.000 0.283 442 V C 0.012 176.146 176.094 0.067 0.000 1.023 442 V CA -0.648 61.715 62.300 0.106 0.000 0.857 442 V CB 1.712 33.620 31.823 0.143 0.000 0.985 442 V HN 0.497 nan 8.190 nan 0.000 0.443 443 T N 3.582 118.147 114.554 0.019 0.000 2.786 443 T HA 0.229 4.578 4.350 -0.000 0.000 0.283 443 T C -0.312 174.312 174.700 -0.126 0.000 0.992 443 T CA -0.284 61.785 62.100 -0.053 0.000 0.954 443 T CB 1.157 69.960 68.868 -0.110 0.000 0.934 443 T HN 0.762 nan 8.240 nan 0.000 0.440 444 C N 5.168 124.347 119.300 -0.202 0.000 2.576 444 C HA 0.369 4.828 4.460 -0.000 0.000 0.401 444 C C 1.713 176.401 174.990 -0.503 0.000 1.314 444 C CA -0.476 58.189 59.018 -0.589 0.000 1.855 444 C CB -1.710 25.578 27.740 -0.754 0.000 2.537 444 C HN 0.982 nan 8.230 nan 0.000 0.578 445 L N 4.629 125.517 121.223 -0.559 0.000 2.416 445 L HA 0.089 4.429 4.340 -0.000 0.000 0.216 445 L C 2.194 178.741 176.870 -0.538 0.000 1.098 445 L CA 0.906 55.482 54.840 -0.440 0.000 0.840 445 L CB -0.306 41.535 42.059 -0.364 0.000 0.981 445 L HN 0.872 nan 8.230 nan 0.000 0.462 446 S N -2.836 112.425 115.700 -0.732 0.000 2.549 446 S HA -0.012 4.458 4.470 -0.000 0.000 0.225 446 S C 1.891 176.040 174.600 -0.751 0.000 1.039 446 S CA -0.086 57.559 58.200 -0.925 0.000 0.942 446 S CB -0.341 61.924 63.200 -1.560 0.000 0.881 446 S HN 0.289 nan 8.310 nan 0.000 0.503 447 C N 2.501 121.337 119.300 -0.772 0.000 2.376 447 C HA -0.091 4.368 4.460 -0.000 0.000 0.275 447 C C 2.079 176.727 174.990 -0.569 0.000 1.200 447 C CA 1.480 59.949 59.018 -0.916 0.000 1.756 447 C CB -1.125 25.779 27.740 -1.392 0.000 2.050 447 C HN 0.698 nan 8.230 nan 0.000 0.460 448 E N -0.281 119.685 120.200 -0.391 0.000 2.569 448 E HA 0.205 4.555 4.350 -0.000 0.000 0.205 448 E C 1.482 178.012 176.600 -0.117 0.000 1.006 448 E CA -0.250 56.043 56.400 -0.179 0.000 0.985 448 E CB 0.110 29.735 29.700 -0.125 0.000 1.060 448 E HN 0.592 nan 8.360 nan 0.000 0.460 449 L N 0.506 121.649 121.223 -0.134 0.000 2.027 449 L HA -0.029 4.311 4.340 -0.000 0.000 0.206 449 L C 1.014 177.884 176.870 0.000 0.000 1.074 449 L CA 0.819 55.622 54.840 -0.062 0.000 0.745 449 L CB 0.093 42.115 42.059 -0.060 0.000 0.898 449 L HN 0.155 nan 8.230 nan 0.000 0.433 450 N N -1.168 117.552 118.700 0.033 0.000 2.839 450 N HA 0.114 4.854 4.740 -0.000 0.000 0.230 450 N C -2.175 173.362 175.510 0.044 0.000 1.388 450 N CA -1.016 52.051 53.050 0.030 0.000 0.747 450 N CB 1.104 39.604 38.487 0.022 0.000 1.411 450 N HN -0.175 nan 8.380 nan 0.000 0.556 451 P HA -0.105 nan 4.420 nan 0.000 0.222 451 P C 0.936 178.281 177.300 0.074 0.000 1.147 451 P CA 0.992 64.146 63.100 0.089 0.000 0.790 451 P CB 0.916 32.683 31.700 0.113 0.000 0.780 452 E N 0.638 120.861 120.200 0.039 0.000 2.021 452 E HA -0.153 4.197 4.350 -0.000 0.000 0.189 452 E C 2.248 178.848 176.600 0.001 0.000 0.980 452 E CA 0.786 57.198 56.400 0.021 0.000 0.803 452 E CB -0.025 29.679 29.700 0.007 0.000 0.766 452 E HN 0.108 nan 8.360 nan 0.000 0.449 453 R N -0.992 119.495 120.500 -0.022 0.000 2.276 453 R HA 0.180 4.520 4.340 -0.000 0.000 0.196 453 R C -0.307 175.943 176.300 -0.083 0.000 0.961 453 R CA 0.319 56.383 56.100 -0.060 0.000 1.024 453 R CB 0.081 30.330 30.300 -0.086 0.000 0.940 453 R HN -0.018 nan 8.270 nan 0.000 0.480 454 c N 1.194 119.761 118.600 -0.055 0.000 2.356 454 c HA 0.416 4.986 4.570 -0.000 0.000 0.324 454 c C -0.231 173.854 174.090 -0.008 0.000 1.167 454 c CA -0.560 55.691 56.329 -0.130 0.000 1.420 454 c CB 1.257 43.666 42.510 -0.168 0.000 2.036 454 c HN 0.613 nan 8.230 nan 0.000 0.435 455 Q N 0.686 120.468 119.800 -0.030 0.000 2.073 455 Q HA 0.199 4.539 4.340 -0.000 0.000 0.215 455 Q C -1.025 175.042 176.000 0.113 0.000 0.776 455 Q CA 0.066 55.927 55.803 0.096 0.000 1.008 455 Q CB 1.390 30.193 28.738 0.108 0.000 1.196 455 Q HN 0.777 nan 8.270 nan 0.000 0.458 456 Y N 0.400 120.606 120.300 -0.157 0.000 2.400 456 Y HA 0.363 4.913 4.550 -0.000 0.000 0.335 456 Y C -1.718 174.054 175.900 -0.212 0.000 1.066 456 Y CA -0.952 57.081 58.100 -0.111 0.000 1.285 456 Y CB 0.732 39.135 38.460 -0.095 0.000 1.103 456 Y HN -0.063 nan 8.280 nan 0.000 0.490 457 Y N 2.503 122.752 120.300 -0.085 0.000 2.377 457 Y HA 0.577 5.127 4.550 -0.000 0.000 0.339 457 Y C 0.275 176.143 175.900 -0.054 0.000 1.011 457 Y CA -0.579 57.482 58.100 -0.065 0.000 1.093 457 Y CB 2.108 40.489 38.460 -0.131 0.000 1.201 457 Y HN 0.504 nan 8.280 nan 0.000 0.455 458 S N 2.058 117.860 115.700 0.169 0.000 2.607 458 S HA 0.856 5.326 4.470 -0.000 0.000 0.303 458 S C -1.520 173.166 174.600 0.143 0.000 1.086 458 S CA -0.693 57.595 58.200 0.146 0.000 0.995 458 S CB 1.894 65.194 63.200 0.167 0.000 1.084 458 S HN 0.561 nan 8.310 nan 0.000 0.507 459 V N 1.041 121.032 119.914 0.128 0.000 2.876 459 V HA 0.840 4.960 4.120 -0.000 0.000 0.312 459 V C -0.986 175.183 176.094 0.125 0.000 1.085 459 V CA -0.317 62.027 62.300 0.073 0.000 0.945 459 V CB 2.351 34.139 31.823 -0.059 0.000 1.017 459 V HN 1.111 nan 8.190 nan 0.000 0.428 460 S N 5.056 120.808 115.700 0.085 0.000 2.707 460 S HA 0.701 5.171 4.470 -0.000 0.000 0.303 460 S C -1.210 173.497 174.600 0.179 0.000 1.132 460 S CA -0.378 57.965 58.200 0.237 0.000 1.046 460 S CB 0.553 63.944 63.200 0.318 0.000 1.004 460 S HN 0.489 nan 8.310 nan 0.000 0.483 461 F N 2.822 122.865 119.950 0.155 0.000 2.377 461 F HA 0.475 5.002 4.527 -0.000 0.000 0.328 461 F C 1.419 176.940 175.800 -0.464 0.000 1.094 461 F CA -0.324 57.630 58.000 -0.078 0.000 1.093 461 F CB 1.470 40.408 39.000 -0.104 0.000 1.214 461 F HN 0.638 nan 8.300 nan 0.000 0.518 462 S N 1.133 116.403 115.700 -0.716 0.000 2.633 462 S HA 0.156 4.626 4.470 -0.000 0.000 0.257 462 S C 1.278 175.702 174.600 -0.295 0.000 1.265 462 S CA -0.557 56.973 58.200 -1.118 0.000 0.980 462 S CB 0.670 63.186 63.200 -1.140 0.000 1.017 462 S HN 0.627 nan 8.310 nan 0.000 0.577 463 K N 0.722 121.045 120.400 -0.128 0.000 2.001 463 K HA -0.107 4.213 4.320 -0.000 0.000 0.214 463 K C 1.462 178.081 176.600 0.033 0.000 1.050 463 K CA 2.079 58.389 56.287 0.037 0.000 0.934 463 K CB -0.666 31.895 32.500 0.102 0.000 0.718 463 K HN 0.702 nan 8.250 nan 0.000 0.443 464 E N -0.742 119.464 120.200 0.010 0.000 2.403 464 E HA 0.349 4.699 4.350 -0.000 0.000 0.188 464 E C -0.647 175.949 176.600 -0.007 0.000 1.056 464 E CA 0.619 57.031 56.400 0.021 0.000 0.892 464 E CB 0.375 30.097 29.700 0.037 0.000 1.049 464 E HN 0.391 nan 8.360 nan 0.000 0.465 465 A N 0.814 123.620 122.820 -0.024 0.000 2.610 465 A HA -0.327 3.993 4.320 -0.000 0.000 0.299 465 A C 1.180 178.782 177.584 0.029 0.000 1.487 465 A CA 1.241 53.294 52.037 0.026 0.000 0.743 465 A CB -1.617 17.297 19.000 -0.143 0.000 1.070 465 A HN 0.293 nan 8.150 nan 0.000 0.439 466 K N -1.873 118.465 120.400 -0.103 0.000 2.367 466 K HA 0.227 4.547 4.320 -0.000 0.000 0.195 466 K C -0.647 175.588 176.600 -0.608 0.000 1.060 466 K CA 0.743 56.836 56.287 -0.324 0.000 1.022 466 K CB 0.571 32.804 32.500 -0.446 0.000 0.894 466 K HN 0.684 nan 8.250 nan 0.000 0.540 467 Y N 0.701 120.924 120.300 -0.129 0.000 2.322 467 Y HA 0.219 4.769 4.550 -0.000 0.000 0.324 467 Y C -0.718 175.059 175.900 -0.205 0.000 1.027 467 Y CA -1.644 56.357 58.100 -0.165 0.000 1.179 467 Y CB 1.035 39.406 38.460 -0.149 0.000 1.136 467 Y HN -0.036 nan 8.280 nan 0.000 0.449 468 Y N 0.059 120.271 120.300 -0.146 0.000 2.487 468 Y HA 0.655 5.204 4.550 -0.000 0.000 0.337 468 Y C -0.584 175.288 175.900 -0.046 0.000 1.076 468 Y CA -1.528 56.349 58.100 -0.371 0.000 1.115 468 Y CB 1.314 39.045 38.460 -1.216 0.000 1.235 468 Y HN 0.541 nan 8.280 nan 0.000 0.468 469 Q N 3.157 123.035 119.800 0.131 0.000 2.293 469 Q HA 0.501 4.841 4.340 -0.000 0.000 0.261 469 Q C -1.879 174.211 176.000 0.150 0.000 0.960 469 Q CA -0.761 55.114 55.803 0.120 0.000 0.882 469 Q CB 1.402 30.205 28.738 0.107 0.000 1.275 469 Q HN 0.984 nan 8.270 nan 0.000 0.445 470 L N 4.289 125.624 121.223 0.187 0.000 2.287 470 L HA 0.518 4.857 4.340 -0.000 0.000 0.287 470 L C -0.105 176.847 176.870 0.137 0.000 1.022 470 L CA -0.498 54.465 54.840 0.204 0.000 0.814 470 L CB 1.502 43.708 42.059 0.246 0.000 1.217 470 L HN 0.525 nan 8.230 nan 0.000 0.420 471 R N 3.408 123.963 120.500 0.092 0.000 2.255 471 R HA 0.361 4.701 4.340 -0.000 0.000 0.326 471 R C -0.981 175.176 176.300 -0.238 0.000 0.986 471 R CA -0.422 55.587 56.100 -0.151 0.000 0.847 471 R CB 1.233 31.537 30.300 0.006 0.000 1.111 471 R HN 0.680 nan 8.270 nan 0.000 0.452 472 c N 3.799 122.104 118.600 -0.491 0.000 2.273 472 c HA 0.392 4.962 4.570 -0.000 0.000 0.328 472 c C 0.989 174.840 174.090 -0.398 0.000 1.275 472 c CA -0.362 55.602 56.329 -0.608 0.000 1.704 472 c CB 0.896 43.002 42.510 -0.673 0.000 2.326 472 c HN 1.040 nan 8.230 nan 0.000 0.517 473 S N 2.987 118.550 115.700 -0.228 0.000 2.492 473 S HA 0.460 4.930 4.470 -0.000 0.000 0.218 473 S C 0.741 175.289 174.600 -0.087 0.000 1.016 473 S CA 0.596 58.725 58.200 -0.118 0.000 0.916 473 S CB 0.300 63.450 63.200 -0.084 0.000 0.791 473 S HN 1.253 nan 8.310 nan 0.000 0.513 474 G N 0.775 109.512 108.800 -0.105 0.000 2.321 474 G HA2 0.317 4.277 3.960 -0.000 0.000 0.296 474 G HA3 0.317 4.277 3.960 -0.000 0.000 0.296 474 G C -3.001 171.868 174.900 -0.051 0.000 1.287 474 G CA -0.685 44.388 45.100 -0.044 0.000 0.846 474 G HN -0.183 nan 8.290 nan 0.000 0.508 475 P HA 0.128 nan 4.420 nan 0.000 0.221 475 P C 1.390 178.707 177.300 0.028 0.000 1.150 475 P CA 1.577 64.696 63.100 0.031 0.000 0.800 475 P CB 0.140 31.857 31.700 0.028 0.000 0.787 476 G N -0.445 108.303 108.800 -0.087 0.000 2.525 476 G HA2 0.361 4.321 3.960 -0.000 0.000 0.287 476 G HA3 0.361 4.321 3.960 -0.000 0.000 0.287 476 G C -0.708 173.925 174.900 -0.445 0.000 1.350 476 G CA -0.460 44.501 45.100 -0.232 0.000 1.039 476 G HN -0.047 nan 8.290 nan 0.000 0.513 477 L N 1.401 122.264 121.223 -0.600 0.000 2.525 477 L HA 0.171 4.511 4.340 -0.000 0.000 0.278 477 L C -1.670 175.014 176.870 -0.310 0.000 1.218 477 L CA -0.459 54.017 54.840 -0.606 0.000 0.878 477 L CB 0.181 41.980 42.059 -0.433 0.000 1.127 477 L HN 0.225 nan 8.230 nan 0.000 0.492 478 P HA 0.138 nan 4.420 nan 0.000 0.266 478 P C -1.072 176.107 177.300 -0.203 0.000 1.195 478 P CA -0.134 62.853 63.100 -0.189 0.000 0.768 478 P CB 0.634 32.312 31.700 -0.037 0.000 0.838 479 L N 4.535 125.524 121.223 -0.389 0.000 2.410 479 L HA 0.516 4.856 4.340 -0.000 0.000 0.270 479 L C -1.800 174.797 176.870 -0.455 0.000 0.983 479 L CA -0.634 54.042 54.840 -0.273 0.000 0.822 479 L CB 1.251 43.204 42.059 -0.176 0.000 1.285 479 L HN 0.241 nan 8.230 nan 0.000 0.409 480 Y N 2.773 123.024 120.300 -0.083 0.000 2.328 480 Y HA 0.718 5.268 4.550 -0.000 0.000 0.336 480 Y C 0.223 176.007 175.900 -0.195 0.000 0.960 480 Y CA -0.505 57.529 58.100 -0.110 0.000 1.134 480 Y CB 2.158 40.546 38.460 -0.120 0.000 1.166 480 Y HN 0.676 nan 8.280 nan 0.000 0.464 481 T N 1.244 115.777 114.554 -0.035 0.000 2.903 481 T HA 0.703 5.052 4.350 -0.000 0.000 0.299 481 T C -1.379 173.179 174.700 -0.237 0.000 1.093 481 T CA -0.899 61.099 62.100 -0.170 0.000 1.002 481 T CB 1.865 70.664 68.868 -0.115 0.000 1.127 481 T HN 0.576 nan 8.240 nan 0.000 0.488 482 L N 2.233 123.198 121.223 -0.430 0.000 2.322 482 L HA 0.591 4.931 4.340 -0.000 0.000 0.281 482 L C -0.802 175.693 176.870 -0.626 0.000 1.014 482 L CA -0.771 53.858 54.840 -0.352 0.000 0.815 482 L CB 1.028 42.977 42.059 -0.184 0.000 1.247 482 L HN 0.797 nan 8.230 nan 0.000 0.421 483 H N 2.167 120.979 119.070 -0.431 0.000 2.717 483 H HA 0.312 4.867 4.556 -0.000 0.000 0.366 483 H C -0.649 174.363 175.328 -0.526 0.000 1.132 483 H CA -0.801 54.901 56.048 -0.578 0.000 1.180 483 H CB 2.149 31.332 29.762 -0.966 0.000 1.678 483 H HN 0.570 nan 8.280 nan 0.000 0.537 484 S N 0.814 116.453 115.700 -0.101 0.000 2.537 484 S HA 0.082 4.552 4.470 -0.000 0.000 0.275 484 S C 1.060 175.624 174.600 -0.061 0.000 1.272 484 S CA -0.495 57.684 58.200 -0.035 0.000 1.050 484 S CB 1.204 64.458 63.200 0.091 0.000 0.961 484 S HN 0.681 nan 8.310 nan 0.000 0.496 485 S N 2.078 117.752 115.700 -0.044 0.000 2.634 485 S HA 0.029 4.499 4.470 -0.000 0.000 0.221 485 S C 1.255 175.889 174.600 0.055 0.000 0.952 485 S CA 0.093 58.387 58.200 0.157 0.000 0.930 485 S CB -0.129 63.202 63.200 0.218 0.000 0.780 485 S HN 0.736 nan 8.310 nan 0.000 0.498 486 V N 2.734 122.628 119.914 -0.033 0.000 2.343 486 V HA -0.151 3.969 4.120 -0.000 0.000 0.247 486 V C 1.097 177.209 176.094 0.031 0.000 1.051 486 V CA 2.374 64.671 62.300 -0.006 0.000 1.036 486 V CB -0.523 31.285 31.823 -0.025 0.000 0.654 486 V HN 0.881 nan 8.190 nan 0.000 0.451 487 N N -2.382 116.332 118.700 0.023 0.000 2.110 487 N HA 0.125 4.864 4.740 -0.000 0.000 0.230 487 N C -0.389 175.128 175.510 0.012 0.000 1.353 487 N CA 0.352 53.411 53.050 0.015 0.000 0.807 487 N CB -0.055 38.440 38.487 0.014 0.000 1.244 487 N HN 0.402 nan 8.380 nan 0.000 0.504 488 D N 0.364 120.789 120.400 0.042 0.000 2.739 488 D HA -0.151 4.489 4.640 -0.000 0.000 0.240 488 D C -0.914 175.409 176.300 0.038 0.000 1.114 488 D CA 0.809 54.848 54.000 0.066 0.000 0.695 488 D CB -1.040 39.784 40.800 0.040 0.000 1.078 488 D HN 0.553 nan 8.370 nan 0.000 0.434 489 K N 0.321 120.741 120.400 0.034 0.000 2.159 489 K HA 0.515 4.835 4.320 -0.000 0.000 0.266 489 K C 0.871 177.493 176.600 0.036 0.000 0.975 489 K CA -0.548 55.758 56.287 0.030 0.000 0.865 489 K CB 1.666 34.169 32.500 0.006 0.000 1.087 489 K HN 0.097 nan 8.250 nan 0.000 0.446 490 G N 2.805 111.632 108.800 0.044 0.000 2.354 490 G HA2 0.109 4.069 3.960 -0.000 0.000 0.266 490 G HA3 0.109 4.069 3.960 -0.000 0.000 0.266 490 G C 0.738 175.531 174.900 -0.179 0.000 1.242 490 G CA -0.302 44.724 45.100 -0.124 0.000 0.923 490 G HN 0.586 nan 8.290 nan 0.000 0.476 491 L N 1.855 122.927 121.223 -0.251 0.000 2.007 491 L HA 0.233 4.573 4.340 -0.000 0.000 0.205 491 L C 1.771 178.544 176.870 -0.162 0.000 1.073 491 L CA 1.185 55.928 54.840 -0.161 0.000 0.744 491 L CB -0.100 41.886 42.059 -0.122 0.000 0.898 491 L HN 0.761 nan 8.230 nan 0.000 0.435 492 R N -1.898 118.468 120.500 -0.224 0.000 2.728 492 R HA 0.391 4.731 4.340 -0.000 0.000 0.274 492 R C -1.668 174.490 176.300 -0.237 0.000 1.030 492 R CA -0.842 55.145 56.100 -0.189 0.000 0.876 492 R CB 1.364 31.580 30.300 -0.140 0.000 1.259 492 R HN -0.239 nan 8.270 nan 0.000 0.468 493 V N 3.002 122.802 119.914 -0.191 0.000 2.461 493 V HA 0.183 4.303 4.120 -0.000 0.000 0.275 493 V C 1.284 177.210 176.094 -0.279 0.000 1.047 493 V CA -0.339 61.845 62.300 -0.195 0.000 0.955 493 V CB 1.110 32.858 31.823 -0.125 0.000 0.988 493 V HN 0.642 nan 8.190 nan 0.000 0.471 494 L N 2.361 123.345 121.223 -0.398 0.000 2.200 494 L HA 0.337 4.677 4.340 -0.000 0.000 0.200 494 L C 0.751 177.306 176.870 -0.525 0.000 1.072 494 L CA 0.667 55.036 54.840 -0.786 0.000 0.787 494 L CB 0.179 41.405 42.059 -1.387 0.000 0.957 494 L HN 0.666 nan 8.230 nan 0.000 0.459 495 E N -0.232 119.844 120.200 -0.206 0.000 2.321 495 E HA 0.125 4.475 4.350 -0.000 0.000 0.278 495 E C -1.116 175.539 176.600 0.091 0.000 0.902 495 E CA -0.330 56.078 56.400 0.014 0.000 0.758 495 E CB 1.485 31.242 29.700 0.095 0.000 1.213 495 E HN 0.166 nan 8.360 nan 0.000 0.426 496 D N 2.808 123.237 120.400 0.050 0.000 2.500 496 D HA 0.093 4.733 4.640 -0.000 0.000 0.218 496 D C -0.340 175.968 176.300 0.013 0.000 1.140 496 D CA -0.114 53.896 54.000 0.015 0.000 0.830 496 D CB -0.006 40.783 40.800 -0.019 0.000 1.055 496 D HN 0.470 nan 8.370 nan 0.000 0.512 497 N N 0.670 119.398 118.700 0.047 0.000 2.747 497 N HA -0.189 4.551 4.740 -0.000 0.000 0.249 497 N C 0.986 176.503 175.510 0.011 0.000 1.107 497 N CA 0.949 54.022 53.050 0.039 0.000 0.707 497 N CB -1.614 36.890 38.487 0.028 0.000 1.054 497 N HN 0.472 nan 8.380 nan 0.000 0.555 498 S N -1.205 114.502 115.700 0.011 0.000 2.423 498 S HA 0.011 4.481 4.470 -0.000 0.000 0.231 498 S C 2.087 176.701 174.600 0.022 0.000 1.014 498 S CA 0.869 59.072 58.200 0.005 0.000 0.965 498 S CB -0.032 63.169 63.200 0.003 0.000 0.785 498 S HN 0.517 nan 8.310 nan 0.000 0.495 499 A N 2.137 124.981 122.820 0.039 0.000 1.858 499 A HA 0.071 4.391 4.320 -0.000 0.000 0.216 499 A C 2.225 179.853 177.584 0.073 0.000 1.190 499 A CA 1.594 53.664 52.037 0.055 0.000 0.617 499 A CB -0.940 18.097 19.000 0.061 0.000 0.827 499 A HN 0.528 nan 8.150 nan 0.000 0.443 500 L N -0.069 121.202 121.223 0.080 0.000 2.141 500 L HA -0.136 4.204 4.340 -0.000 0.000 0.209 500 L C 1.943 178.851 176.870 0.064 0.000 1.094 500 L CA 2.378 57.282 54.840 0.108 0.000 0.763 500 L CB -0.490 41.638 42.059 0.114 0.000 0.908 500 L HN 0.463 nan 8.230 nan 0.000 0.437 501 D N -0.298 120.112 120.400 0.017 0.000 2.117 501 D HA -0.258 4.382 4.640 -0.000 0.000 0.197 501 D C 2.066 178.371 176.300 0.008 0.000 0.987 501 D CA 1.140 55.131 54.000 -0.015 0.000 0.829 501 D CB 0.144 40.924 40.800 -0.034 0.000 0.961 501 D HN 0.397 nan 8.370 nan 0.000 0.460 502 K N -0.019 120.399 120.400 0.030 0.000 2.026 502 K HA -0.116 4.203 4.320 -0.000 0.000 0.208 502 K C 2.404 179.041 176.600 0.062 0.000 1.048 502 K CA 0.866 57.177 56.287 0.040 0.000 0.929 502 K CB -0.058 32.469 32.500 0.045 0.000 0.713 502 K HN 0.158 nan 8.250 nan 0.000 0.439 503 M N 0.390 120.051 119.600 0.101 0.000 2.117 503 M HA -0.176 4.304 4.480 -0.000 0.000 0.262 503 M C 1.888 178.241 176.300 0.089 0.000 1.065 503 M CA 1.108 56.508 55.300 0.167 0.000 1.114 503 M CB -0.183 32.608 32.600 0.319 0.000 1.361 503 M HN 0.086 nan 8.290 nan 0.000 0.408 504 L N 0.234 121.459 121.223 0.004 0.000 2.551 504 L HA -0.103 4.237 4.340 -0.000 0.000 0.228 504 L C 2.197 179.037 176.870 -0.049 0.000 1.153 504 L CA 1.490 56.273 54.840 -0.096 0.000 0.851 504 L CB -0.718 41.287 42.059 -0.090 0.000 0.959 504 L HN 0.336 nan 8.230 nan 0.000 0.451 505 Q N -1.326 118.469 119.800 -0.009 0.000 2.311 505 Q HA -0.065 4.275 4.340 -0.000 0.000 0.203 505 Q C 1.509 177.519 176.000 0.018 0.000 0.954 505 Q CA 0.511 56.314 55.803 0.001 0.000 0.885 505 Q CB 0.000 28.744 28.738 0.009 0.000 0.963 505 Q HN 0.507 nan 8.270 nan 0.000 0.471 506 N N 0.589 119.309 118.700 0.034 0.000 2.336 506 N HA 0.030 4.769 4.740 -0.000 0.000 0.189 506 N C -0.659 174.887 175.510 0.060 0.000 1.113 506 N CA 0.073 53.157 53.050 0.056 0.000 0.858 506 N CB 0.777 39.313 38.487 0.082 0.000 0.970 506 N HN -0.016 nan 8.380 nan 0.000 0.471 507 V N -0.594 119.334 119.914 0.023 0.000 2.604 507 V HA 0.394 4.514 4.120 -0.000 0.000 0.305 507 V C -0.384 175.720 176.094 0.017 0.000 1.043 507 V CA -1.105 61.210 62.300 0.026 0.000 0.888 507 V CB 1.841 33.644 31.823 -0.033 0.000 0.995 507 V HN -0.084 nan 8.190 nan 0.000 0.429 508 Q N 4.343 124.176 119.800 0.054 0.000 2.348 508 Q HA 0.425 4.765 4.340 -0.000 0.000 0.251 508 Q C -0.534 175.471 176.000 0.007 0.000 1.113 508 Q CA 0.052 55.879 55.803 0.040 0.000 0.902 508 Q CB 0.704 29.513 28.738 0.118 0.000 1.333 508 Q HN 0.608 nan 8.270 nan 0.000 0.457 509 M N 4.230 123.803 119.600 -0.045 0.000 2.363 509 M HA 0.435 4.915 4.480 -0.000 0.000 0.343 509 M C -2.165 174.082 176.300 -0.089 0.000 1.165 509 M CA -2.573 52.686 55.300 -0.069 0.000 1.046 509 M CB 0.944 33.499 32.600 -0.075 0.000 1.648 509 M HN 0.354 nan 8.290 nan 0.000 0.452 510 P HA 0.169 nan 4.420 nan 0.000 0.272 510 P C -0.540 176.684 177.300 -0.127 0.000 1.230 510 P CA -0.232 62.791 63.100 -0.128 0.000 0.788 510 P CB 0.411 32.019 31.700 -0.153 0.000 0.949 511 S N 0.453 116.063 115.700 -0.150 0.000 2.730 511 S HA 0.539 5.008 4.470 -0.000 0.000 0.284 511 S C -0.329 174.182 174.600 -0.149 0.000 1.153 511 S CA -0.711 57.412 58.200 -0.130 0.000 0.995 511 S CB 1.351 64.474 63.200 -0.129 0.000 1.058 511 S HN 0.523 nan 8.310 nan 0.000 0.552 512 K N 0.330 120.667 120.400 -0.106 0.000 2.507 512 K HA 0.377 4.696 4.320 -0.000 0.000 0.252 512 K C -1.489 175.063 176.600 -0.080 0.000 0.943 512 K CA -0.467 55.762 56.287 -0.097 0.000 0.808 512 K CB 1.343 33.809 32.500 -0.057 0.000 1.142 512 K HN 0.720 nan 8.250 nan 0.000 0.426 513 K N 5.897 126.240 120.400 -0.095 0.000 2.293 513 K HA 0.299 4.619 4.320 -0.000 0.000 0.267 513 K C -1.148 175.404 176.600 -0.080 0.000 1.010 513 K CA -0.634 55.609 56.287 -0.073 0.000 0.875 513 K CB 0.905 33.360 32.500 -0.075 0.000 1.106 513 K HN 0.552 nan 8.250 nan 0.000 0.450 514 L N 4.222 125.419 121.223 -0.043 0.000 2.275 514 L HA 0.445 4.785 4.340 -0.000 0.000 0.288 514 L C -0.942 175.914 176.870 -0.024 0.000 1.046 514 L CA 0.020 54.855 54.840 -0.009 0.000 0.805 514 L CB 1.227 43.350 42.059 0.106 0.000 1.193 514 L HN 0.874 nan 8.230 nan 0.000 0.426 515 D N 2.690 122.943 120.400 -0.246 0.000 2.713 515 D HA 0.396 5.036 4.640 -0.000 0.000 0.306 515 D C -1.486 174.542 176.300 -0.453 0.000 1.299 515 D CA -0.123 53.684 54.000 -0.321 0.000 0.823 515 D CB 1.814 42.388 40.800 -0.376 0.000 1.353 515 D HN 0.218 nan 8.370 nan 0.000 0.447 516 F N 0.000 119.608 119.950 -0.571 0.000 2.579 516 F HA 0.806 5.333 4.527 -0.000 0.000 0.324 516 F C -0.612 175.207 175.800 0.031 0.000 1.058 516 F CA -1.055 56.640 58.000 -0.508 0.000 0.944 516 F CB 1.031 39.242 39.000 -1.314 0.000 1.245 516 F HN 0.260 nan 8.300 nan 0.000 0.477 517 I N 0.581 121.333 120.570 0.304 0.000 2.608 517 I HA 0.598 4.767 4.170 -0.000 0.000 0.295 517 I C -1.318 175.014 176.117 0.358 0.000 1.049 517 I CA -1.148 60.291 61.300 0.232 0.000 1.063 517 I CB 2.269 40.389 38.000 0.201 0.000 1.248 517 I HN 0.630 nan 8.210 nan 0.000 0.424 518 I N 5.877 126.610 120.570 0.271 0.000 2.325 518 I HA 0.337 4.507 4.170 -0.000 0.000 0.291 518 I C -0.927 175.336 176.117 0.243 0.000 1.019 518 I CA -0.378 61.087 61.300 0.274 0.000 1.302 518 I CB 1.112 39.239 38.000 0.211 0.000 1.401 518 I HN 0.372 nan 8.210 nan 0.000 0.485 519 L N 7.035 128.471 121.223 0.356 0.000 2.349 519 L HA 0.430 4.770 4.340 -0.000 0.000 0.278 519 L C 0.053 177.087 176.870 0.273 0.000 0.996 519 L CA -0.481 54.520 54.840 0.268 0.000 0.825 519 L CB 1.194 43.378 42.059 0.207 0.000 1.243 519 L HN 0.477 nan 8.230 nan 0.000 0.412 520 N N 2.569 121.357 118.700 0.147 0.000 2.714 520 N HA -0.261 4.479 4.740 -0.000 0.000 0.252 520 N C 0.088 175.660 175.510 0.102 0.000 1.014 520 N CA 1.179 54.294 53.050 0.108 0.000 0.735 520 N CB -1.100 37.444 38.487 0.095 0.000 0.924 520 N HN 0.883 nan 8.380 nan 0.000 0.540 521 E N -3.629 116.628 120.200 0.094 0.000 2.971 521 E HA -0.224 4.126 4.350 -0.000 0.000 0.278 521 E C -0.754 175.867 176.600 0.034 0.000 1.009 521 E CA 1.494 57.930 56.400 0.060 0.000 0.862 521 E CB -1.468 28.253 29.700 0.036 0.000 1.436 521 E HN 0.575 nan 8.360 nan 0.000 0.434 522 T N 0.284 114.872 114.554 0.056 0.000 2.841 522 T HA 0.425 4.775 4.350 -0.000 0.000 0.283 522 T C -0.128 174.468 174.700 -0.173 0.000 1.000 522 T CA -0.927 61.104 62.100 -0.116 0.000 0.977 522 T CB 1.598 70.335 68.868 -0.219 0.000 0.979 522 T HN -0.020 nan 8.240 nan 0.000 0.446 523 K N 2.130 122.354 120.400 -0.293 0.000 2.316 523 K HA 0.414 4.734 4.320 -0.000 0.000 0.289 523 K C -1.119 175.263 176.600 -0.363 0.000 1.070 523 K CA -0.148 55.994 56.287 -0.241 0.000 0.928 523 K CB 0.332 32.610 32.500 -0.370 0.000 1.039 523 K HN 0.418 nan 8.250 nan 0.000 0.480 524 F N 2.518 122.527 119.950 0.099 0.000 2.427 524 F HA 0.311 4.837 4.527 -0.000 0.000 0.348 524 F C -0.419 175.457 175.800 0.128 0.000 1.125 524 F CA -0.841 57.220 58.000 0.101 0.000 0.989 524 F CB 0.821 39.898 39.000 0.130 0.000 1.165 524 F HN 0.410 nan 8.300 nan 0.000 0.442 525 W N 3.947 125.369 121.300 0.203 0.000 2.313 525 W HA 0.497 5.157 4.660 -0.000 0.000 0.328 525 W C -0.490 176.199 176.519 0.284 0.000 1.197 525 W CA -0.620 56.867 57.345 0.237 0.000 1.235 525 W CB 0.544 30.079 29.460 0.126 0.000 1.158 525 W HN 0.460 nan 8.180 nan 0.000 0.578 526 Y N -0.277 120.324 120.300 0.502 0.000 2.609 526 Y HA 0.669 5.219 4.550 -0.000 0.000 0.342 526 Y C -0.889 175.222 175.900 0.351 0.000 1.058 526 Y CA -1.849 56.540 58.100 0.482 0.000 1.055 526 Y CB 1.230 40.112 38.460 0.703 0.000 1.292 526 Y HN 0.556 nan 8.280 nan 0.000 0.476 527 Q N 2.541 122.551 119.800 0.351 0.000 2.397 527 Q HA 0.710 5.050 4.340 -0.000 0.000 0.275 527 Q C -1.888 174.210 176.000 0.164 0.000 1.090 527 Q CA -1.164 54.730 55.803 0.152 0.000 0.809 527 Q CB 3.203 32.005 28.738 0.108 0.000 1.362 527 Q HN 0.935 nan 8.270 nan 0.000 0.431 528 M N 3.035 122.665 119.600 0.049 0.000 2.213 528 M HA 0.394 4.874 4.480 -0.000 0.000 0.286 528 M C -1.473 174.747 176.300 -0.135 0.000 1.008 528 M CA -0.870 54.400 55.300 -0.050 0.000 0.937 528 M CB 1.931 34.494 32.600 -0.061 0.000 1.600 528 M HN 0.666 nan 8.290 nan 0.000 0.450 529 I N 6.096 126.581 120.570 -0.142 0.000 2.294 529 I HA 0.247 4.417 4.170 -0.000 0.000 0.295 529 I C -0.494 175.459 176.117 -0.273 0.000 1.098 529 I CA -0.121 61.071 61.300 -0.180 0.000 1.277 529 I CB -0.428 37.489 38.000 -0.137 0.000 1.434 529 I HN 0.632 nan 8.210 nan 0.000 0.498 530 L N 8.415 129.416 121.223 -0.369 0.000 2.289 530 L HA 0.416 4.756 4.340 -0.000 0.000 0.285 530 L C -2.097 174.558 176.870 -0.358 0.000 1.049 530 L CA -1.766 52.732 54.840 -0.569 0.000 0.804 530 L CB 0.903 42.387 42.059 -0.958 0.000 1.195 530 L HN 0.256 nan 8.230 nan 0.000 0.428 531 P HA 0.001 nan 4.420 nan 0.000 0.267 531 P C -2.392 174.887 177.300 -0.034 0.000 1.201 531 P CA -0.703 62.335 63.100 -0.104 0.000 0.775 531 P CB -0.296 31.400 31.700 -0.006 0.000 0.854 532 P HA -0.110 nan 4.420 nan 0.000 0.268 532 P C 0.011 177.351 177.300 0.068 0.000 1.208 532 P CA 0.723 63.791 63.100 -0.055 0.000 0.777 532 P CB -0.012 31.673 31.700 -0.024 0.000 0.875 533 H N -1.827 117.285 119.070 0.069 0.000 2.741 533 H HA -0.207 4.349 4.556 -0.000 0.000 0.305 533 H C 0.197 175.593 175.328 0.113 0.000 1.169 533 H CA 0.169 56.261 56.048 0.073 0.000 1.144 533 H CB -2.227 27.570 29.762 0.057 0.000 1.397 533 H HN 0.396 nan 8.280 nan 0.000 0.409 534 F N 2.607 122.555 119.950 -0.004 0.000 2.623 534 F HA 0.101 4.628 4.527 0.000 0.000 0.383 534 F C 0.533 176.339 175.800 0.011 0.000 1.077 534 F CA 0.076 58.032 58.000 -0.074 0.000 1.268 534 F CB 0.488 39.334 39.000 -0.256 0.000 1.053 534 F HN 0.157 nan 8.300 nan 0.000 0.571 535 D N 6.247 126.324 120.400 -0.539 0.000 2.421 535 D HA 0.141 4.781 4.640 -0.000 0.000 0.254 535 D C 0.238 176.193 176.300 -0.574 0.000 1.238 535 D CA -0.530 53.214 54.000 -0.427 0.000 0.919 535 D CB 0.963 41.698 40.800 -0.109 0.000 1.152 535 D HN 0.656 nan 8.370 nan 0.000 0.552 536 K N 1.152 121.120 120.400 -0.720 0.000 2.589 536 K HA -0.034 4.286 4.320 -0.000 0.000 0.192 536 K C 1.093 177.677 176.600 -0.028 0.000 1.029 536 K CA 0.333 56.386 56.287 -0.390 0.000 1.031 536 K CB -0.048 32.287 32.500 -0.274 0.000 0.821 536 K HN 0.217 nan 8.250 nan 0.000 0.502 537 S N 0.433 116.086 115.700 -0.077 0.000 2.439 537 S HA 0.022 4.492 4.470 -0.000 0.000 0.224 537 S C 0.799 175.376 174.600 -0.039 0.000 1.029 537 S CA -0.119 58.061 58.200 -0.033 0.000 0.946 537 S CB -0.007 63.162 63.200 -0.051 0.000 0.797 537 S HN 0.194 nan 8.310 nan 0.000 0.504 538 K N 1.339 121.688 120.400 -0.085 0.000 2.219 538 K HA 0.278 4.598 4.320 -0.000 0.000 0.258 538 K C -0.377 176.146 176.600 -0.129 0.000 1.008 538 K CA -0.166 56.005 56.287 -0.193 0.000 0.928 538 K CB 0.384 32.627 32.500 -0.428 0.000 0.983 538 K HN 0.044 nan 8.250 nan 0.000 0.484 539 K N 2.689 122.966 120.400 -0.204 0.000 2.293 539 K HA 0.232 4.552 4.320 -0.000 0.000 0.267 539 K C -1.013 175.480 176.600 -0.178 0.000 1.010 539 K CA -0.333 55.907 56.287 -0.078 0.000 0.875 539 K CB 0.845 33.303 32.500 -0.069 0.000 1.106 539 K HN 0.426 nan 8.250 nan 0.000 0.450 540 Y N 3.016 123.356 120.300 0.066 0.000 2.387 540 Y HA 0.286 4.836 4.550 -0.000 0.000 0.330 540 Y C -1.725 174.118 175.900 -0.095 0.000 1.133 540 Y CA -2.280 55.833 58.100 0.023 0.000 1.152 540 Y CB 1.009 39.549 38.460 0.134 0.000 1.215 540 Y HN 0.439 nan 8.280 nan 0.000 0.466 541 P HA 0.185 nan 4.420 nan 0.000 0.275 541 P C -1.170 175.980 177.300 -0.250 0.000 1.228 541 P CA -0.221 62.604 63.100 -0.459 0.000 0.786 541 P CB 1.509 32.590 31.700 -1.032 0.000 0.927 542 L N 3.230 124.337 121.223 -0.194 0.000 2.385 542 L HA 0.547 4.887 4.340 -0.000 0.000 0.273 542 L C -1.265 175.774 176.870 0.282 0.000 0.990 542 L CA -1.096 53.782 54.840 0.062 0.000 0.821 542 L CB 1.790 43.896 42.059 0.078 0.000 1.279 542 L HN 0.158 nan 8.230 nan 0.000 0.412 543 L N 5.365 126.771 121.223 0.305 0.000 2.305 543 L HA 0.523 4.863 4.340 -0.000 0.000 0.284 543 L C -1.288 175.806 176.870 0.372 0.000 1.013 543 L CA -0.325 54.755 54.840 0.400 0.000 0.819 543 L CB 1.547 43.801 42.059 0.326 0.000 1.227 543 L HN 0.627 nan 8.230 nan 0.000 0.417 544 L N 5.080 126.572 121.223 0.448 0.000 2.278 544 L HA 0.409 4.749 4.340 -0.000 0.000 0.287 544 L C -0.637 176.460 176.870 0.378 0.000 1.072 544 L CA 0.249 55.340 54.840 0.417 0.000 0.819 544 L CB 0.651 42.998 42.059 0.480 0.000 1.176 544 L HN 0.654 nan 8.230 nan 0.000 0.435 545 D N 4.247 124.839 120.400 0.321 0.000 2.280 545 D HA 0.368 5.008 4.640 -0.000 0.000 0.236 545 D C -1.189 175.179 176.300 0.112 0.000 1.082 545 D CA -0.089 54.015 54.000 0.173 0.000 0.834 545 D CB 1.560 42.548 40.800 0.313 0.000 1.100 545 D HN 0.313 nan 8.370 nan 0.000 0.486 546 V N 5.921 125.821 119.914 -0.023 0.000 2.709 546 V HA 0.422 4.542 4.120 -0.000 0.000 0.308 546 V C -1.026 175.171 176.094 0.172 0.000 1.062 546 V CA -0.549 61.827 62.300 0.126 0.000 0.901 546 V CB 1.646 33.566 31.823 0.163 0.000 1.003 546 V HN 0.626 nan 8.190 nan 0.000 0.425 547 Y N 5.845 126.219 120.300 0.124 0.000 2.488 547 Y HA 0.520 5.069 4.550 -0.000 0.000 0.262 547 Y C 1.780 177.820 175.900 0.233 0.000 1.108 547 Y CA 1.547 59.747 58.100 0.166 0.000 1.299 547 Y CB -0.145 38.398 38.460 0.138 0.000 1.231 547 Y HN 1.483 nan 8.280 nan 0.000 0.507 548 A N 0.541 123.513 122.820 0.254 0.000 2.945 548 A HA -0.182 4.138 4.320 -0.000 0.000 0.263 548 A C 1.151 178.646 177.584 -0.149 0.000 1.293 548 A CA 1.106 53.208 52.037 0.109 0.000 0.944 548 A CB -2.477 16.696 19.000 0.289 0.000 1.093 548 A HN 0.920 nan 8.150 nan 0.000 0.786 549 G N -0.960 107.498 108.800 -0.570 0.000 2.634 549 G HA2 0.471 4.431 3.960 -0.000 0.000 0.255 549 G HA3 0.471 4.431 3.960 -0.000 0.000 0.255 549 G C -2.300 172.170 174.900 -0.716 0.000 1.205 549 G CA -0.760 43.651 45.100 -1.149 0.000 0.884 549 G HN 0.294 nan 8.290 nan 0.000 0.549 550 P HA 0.102 nan 4.420 nan 0.000 0.263 550 P C 0.554 177.601 177.300 -0.421 0.000 1.195 550 P CA 0.084 62.837 63.100 -0.578 0.000 0.762 550 P CB 0.746 31.719 31.700 -1.211 0.000 0.799 551 C N 2.555 121.672 119.300 -0.306 0.000 4.417 551 C HA -0.155 4.305 4.460 -0.000 0.000 0.284 551 C C 0.940 175.814 174.990 -0.194 0.000 1.379 551 C CA 1.123 59.939 59.018 -0.336 0.000 1.918 551 C CB -2.734 24.680 27.740 -0.544 0.000 1.280 551 C HN 0.784 nan 8.230 nan 0.000 0.783 552 S N 0.075 115.591 115.700 -0.308 0.000 2.603 552 S HA 0.536 5.006 4.470 -0.000 0.000 0.268 552 S C -0.554 174.023 174.600 -0.038 0.000 1.317 552 S CA 0.065 58.042 58.200 -0.371 0.000 1.012 552 S CB 1.612 64.133 63.200 -1.133 0.000 0.926 552 S HN 0.774 nan 8.310 nan 0.000 0.539 553 Q N 0.210 120.084 119.800 0.125 0.000 2.483 553 Q HA 0.302 4.642 4.340 -0.000 0.000 0.245 553 Q C -0.470 175.648 176.000 0.197 0.000 0.902 553 Q CA -0.600 55.321 55.803 0.197 0.000 0.767 553 Q CB 0.882 29.807 28.738 0.311 0.000 1.341 553 Q HN 0.674 nan 8.270 nan 0.000 0.453 554 K N 0.591 121.100 120.400 0.182 0.000 2.352 554 K HA 0.274 4.593 4.320 -0.000 0.000 0.194 554 K C 0.004 176.712 176.600 0.179 0.000 1.038 554 K CA 0.357 56.765 56.287 0.202 0.000 1.023 554 K CB 1.053 33.693 32.500 0.233 0.000 0.840 554 K HN 0.487 nan 8.250 nan 0.000 0.519 555 A N 2.978 125.905 122.820 0.178 0.000 2.280 555 A HA 0.400 4.720 4.320 -0.000 0.000 0.320 555 A C -0.655 176.995 177.584 0.110 0.000 1.366 555 A CA -0.516 51.624 52.037 0.172 0.000 0.938 555 A CB 0.132 19.284 19.000 0.253 0.000 1.157 555 A HN 0.257 nan 8.150 nan 0.000 0.536 556 D N 0.047 120.494 120.400 0.078 0.000 2.921 556 D HA 0.384 5.024 4.640 -0.000 0.000 0.329 556 D C 0.401 176.726 176.300 0.042 0.000 1.293 556 D CA 0.359 54.397 54.000 0.064 0.000 0.964 556 D CB 0.139 40.999 40.800 0.100 0.000 1.435 556 D HN 0.208 nan 8.370 nan 0.000 0.548 557 T N -2.305 112.299 114.554 0.083 0.000 3.145 557 T HA 0.336 4.685 4.350 -0.000 0.000 0.255 557 T C 0.354 175.029 174.700 -0.043 0.000 1.039 557 T CA -0.355 61.783 62.100 0.062 0.000 0.928 557 T CB -0.664 68.287 68.868 0.138 0.000 1.029 557 T HN 0.273 nan 8.240 nan 0.000 0.554 558 V N 2.730 122.514 119.914 -0.217 0.000 2.555 558 V HA 0.333 4.453 4.120 -0.000 0.000 0.286 558 V C 0.102 176.148 176.094 -0.080 0.000 1.044 558 V CA -1.070 61.062 62.300 -0.279 0.000 1.026 558 V CB -0.078 31.464 31.823 -0.469 0.000 0.981 558 V HN 0.550 nan 8.190 nan 0.000 0.480 559 F N 6.566 126.425 119.950 -0.150 0.000 2.467 559 F HA 0.523 5.050 4.527 -0.000 0.000 0.362 559 F C 0.550 176.301 175.800 -0.082 0.000 1.090 559 F CA -0.048 57.889 58.000 -0.104 0.000 1.202 559 F CB 0.246 39.190 39.000 -0.093 0.000 1.113 559 F HN 0.440 nan 8.300 nan 0.000 0.541 560 R N 6.300 126.333 120.500 -0.778 0.000 2.744 560 R HA 0.576 4.916 4.340 -0.000 0.000 0.279 560 R C -1.631 174.233 176.300 -0.726 0.000 0.977 560 R CA -1.072 54.706 56.100 -0.537 0.000 0.906 560 R CB 2.111 32.263 30.300 -0.247 0.000 1.197 560 R HN 0.661 nan 8.270 nan 0.000 0.463 561 L N 3.943 124.942 121.223 -0.373 0.000 2.318 561 L HA 0.447 4.787 4.340 -0.000 0.000 0.277 561 L C -0.646 176.241 176.870 0.029 0.000 1.008 561 L CA -0.673 54.016 54.840 -0.252 0.000 0.846 561 L CB 0.780 42.804 42.059 -0.058 0.000 1.220 561 L HN 0.770 nan 8.230 nan 0.000 0.423 562 N N 0.429 119.102 118.700 -0.045 0.000 3.418 562 N HA 0.158 4.898 4.740 -0.000 0.000 0.316 562 N C 0.136 175.405 175.510 -0.402 0.000 1.601 562 N CA -0.904 52.070 53.050 -0.127 0.000 0.805 562 N CB 0.189 38.661 38.487 -0.025 0.000 1.873 562 N HN 0.338 nan 8.380 nan 0.000 0.615 563 W N 0.677 121.408 121.300 -0.949 0.000 2.338 563 W HA 0.142 4.802 4.660 0.000 0.000 0.304 563 W C 2.036 178.504 176.519 -0.084 0.000 1.212 563 W CA 2.961 59.947 57.345 -0.599 0.000 1.264 563 W CB -0.993 28.221 29.460 -0.410 0.000 1.142 563 W HN 0.708 nan 8.180 nan 0.000 0.512 564 A N -0.535 122.237 122.820 -0.080 0.000 1.972 564 A HA -0.199 4.121 4.320 -0.000 0.000 0.219 564 A C 1.928 179.409 177.584 -0.173 0.000 1.169 564 A CA 2.430 54.362 52.037 -0.174 0.000 0.635 564 A CB -1.259 17.729 19.000 -0.020 0.000 0.810 564 A HN 0.308 nan 8.150 nan 0.000 0.446 565 T N -1.351 113.127 114.554 -0.127 0.000 2.746 565 T HA -0.197 4.153 4.350 -0.000 0.000 0.267 565 T C 1.770 176.509 174.700 0.064 0.000 1.039 565 T CA 1.627 63.632 62.100 -0.159 0.000 1.142 565 T CB -0.502 68.112 68.868 -0.423 0.000 0.866 565 T HN 0.704 nan 8.240 nan 0.000 0.444 566 Y N 1.854 122.247 120.300 0.156 0.000 2.145 566 Y HA -0.073 4.477 4.550 -0.000 0.000 0.286 566 Y C 2.021 177.913 175.900 -0.014 0.000 1.145 566 Y CA 1.081 59.296 58.100 0.191 0.000 1.148 566 Y CB -0.523 38.017 38.460 0.133 0.000 0.981 566 Y HN 0.074 nan 8.280 nan 0.000 0.507 567 L N 0.431 121.229 121.223 -0.708 0.000 2.042 567 L HA -0.225 4.115 4.340 -0.000 0.000 0.210 567 L C 2.867 179.483 176.870 -0.423 0.000 1.076 567 L CA 1.316 55.670 54.840 -0.810 0.000 0.749 567 L CB -0.886 40.742 42.059 -0.718 0.000 0.893 567 L HN 0.443 nan 8.230 nan 0.000 0.432 568 A N -1.339 121.318 122.820 -0.271 0.000 1.874 568 A HA -0.170 4.150 4.320 -0.000 0.000 0.214 568 A C 2.511 180.035 177.584 -0.101 0.000 1.189 568 A CA 1.702 53.639 52.037 -0.166 0.000 0.615 568 A CB -0.608 18.291 19.000 -0.168 0.000 0.830 568 A HN 0.327 nan 8.150 nan 0.000 0.443 569 S N -1.180 114.481 115.700 -0.066 0.000 2.355 569 S HA -0.115 4.355 4.470 -0.000 0.000 0.222 569 S C 2.032 176.661 174.600 0.047 0.000 1.031 569 S CA 2.285 60.501 58.200 0.027 0.000 0.993 569 S CB -0.394 62.881 63.200 0.125 0.000 0.859 569 S HN 0.576 nan 8.310 nan 0.000 0.453 570 T N 1.362 115.919 114.554 0.005 0.000 2.953 570 T HA 0.155 4.505 4.350 -0.000 0.000 0.247 570 T C 1.479 176.154 174.700 -0.041 0.000 1.029 570 T CA 0.634 62.753 62.100 0.032 0.000 1.144 570 T CB -0.155 68.812 68.868 0.166 0.000 0.870 570 T HN 0.317 nan 8.240 nan 0.000 0.446 571 E N 1.271 121.352 120.200 -0.198 0.000 2.478 571 E HA 0.130 4.480 4.350 -0.000 0.000 0.194 571 E C 0.047 176.629 176.600 -0.029 0.000 1.045 571 E CA -0.015 56.308 56.400 -0.128 0.000 0.868 571 E CB -0.353 29.203 29.700 -0.240 0.000 0.885 571 E HN 0.532 nan 8.360 nan 0.000 0.505 572 N N 0.446 119.140 118.700 -0.011 0.000 2.735 572 N HA -0.192 4.547 4.740 -0.000 0.000 0.248 572 N C -0.857 174.729 175.510 0.128 0.000 1.083 572 N CA 0.265 53.373 53.050 0.097 0.000 0.703 572 N CB -1.287 37.302 38.487 0.170 0.000 1.005 572 N HN 0.198 nan 8.380 nan 0.000 0.550 573 I N 0.901 121.479 120.570 0.015 0.000 2.359 573 I HA 0.326 4.496 4.170 -0.000 0.000 0.294 573 I C 0.662 176.753 176.117 -0.044 0.000 0.987 573 I CA -0.785 60.528 61.300 0.021 0.000 1.225 573 I CB 1.196 39.223 38.000 0.046 0.000 1.366 573 I HN 0.035 nan 8.210 nan 0.000 0.466 574 I N 6.536 127.085 120.570 -0.034 0.000 2.471 574 I HA 0.137 4.307 4.170 -0.000 0.000 0.286 574 I C -0.369 175.723 176.117 -0.042 0.000 1.079 574 I CA -0.307 60.930 61.300 -0.104 0.000 1.398 574 I CB 0.783 38.721 38.000 -0.104 0.000 1.403 574 I HN 0.207 nan 8.210 nan 0.000 0.530 575 V N 6.464 126.339 119.914 -0.064 0.000 2.384 575 V HA 0.689 4.809 4.120 -0.000 0.000 0.287 575 V C 0.250 176.353 176.094 0.015 0.000 1.020 575 V CA -0.472 61.838 62.300 0.016 0.000 0.850 575 V CB 1.242 33.069 31.823 0.006 0.000 0.987 575 V HN 0.846 nan 8.190 nan 0.000 0.436 576 A N 3.753 126.615 122.820 0.070 0.000 2.401 576 A HA 0.928 5.248 4.320 -0.000 0.000 0.310 576 A C -0.314 177.410 177.584 0.232 0.000 1.075 576 A CA -0.513 51.551 52.037 0.045 0.000 0.746 576 A CB 1.917 20.750 19.000 -0.278 0.000 1.277 576 A HN 0.677 nan 8.150 nan 0.000 0.425 577 S N -0.000 115.880 115.700 0.301 0.000 2.568 577 S HA 0.793 5.263 4.470 -0.000 0.000 0.293 577 S C -1.442 173.509 174.600 0.584 0.000 1.089 577 S CA -0.294 58.141 58.200 0.392 0.000 0.945 577 S CB 1.307 64.683 63.200 0.293 0.000 1.077 577 S HN 0.747 nan 8.310 nan 0.000 0.485 578 F N 1.788 121.972 119.950 0.390 0.000 2.561 578 F HA 0.450 4.977 4.527 -0.000 0.000 0.313 578 F C -1.443 174.551 175.800 0.324 0.000 1.126 578 F CA -0.781 57.467 58.000 0.414 0.000 0.918 578 F CB 1.469 40.685 39.000 0.361 0.000 1.199 578 F HN 0.377 nan 8.300 nan 0.000 0.444 579 D N 4.790 124.989 120.400 -0.334 0.000 2.485 579 D HA 0.340 4.980 4.640 -0.000 0.000 0.221 579 D C 0.424 176.472 176.300 -0.420 0.000 1.112 579 D CA 0.158 54.035 54.000 -0.203 0.000 0.911 579 D CB 1.308 42.123 40.800 0.025 0.000 1.019 579 D HN 0.749 nan 8.370 nan 0.000 0.516 580 G N 1.127 109.789 108.800 -0.231 0.000 2.543 580 G HA2 0.284 4.244 3.960 -0.000 0.000 0.267 580 G HA3 0.284 4.244 3.960 -0.000 0.000 0.267 580 G C 0.120 175.137 174.900 0.196 0.000 1.406 580 G CA -0.759 44.354 45.100 0.021 0.000 1.048 580 G HN 0.283 nan 8.290 nan 0.000 0.548 581 R N -0.668 119.956 120.500 0.206 0.000 2.522 581 R HA 0.376 4.716 4.340 -0.000 0.000 0.284 581 R C 1.185 177.578 176.300 0.155 0.000 1.032 581 R CA 1.400 57.627 56.100 0.212 0.000 1.049 581 R CB 0.501 30.897 30.300 0.161 0.000 0.956 581 R HN 1.029 nan 8.270 nan 0.000 0.422 582 G N 1.271 110.128 108.800 0.095 0.000 2.259 582 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.217 582 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.217 582 G C 0.178 175.044 174.900 -0.056 0.000 1.001 582 G CA 0.071 45.193 45.100 0.036 0.000 0.627 582 G HN 0.713 nan 8.290 nan 0.000 0.501 583 S N 0.376 116.056 115.700 -0.034 0.000 2.589 583 S HA 0.645 5.115 4.470 -0.000 0.000 0.265 583 S C 0.821 175.344 174.600 -0.128 0.000 1.342 583 S CA 0.521 58.674 58.200 -0.077 0.000 1.005 583 S CB 1.726 64.922 63.200 -0.006 0.000 0.909 583 S HN 1.692 nan 8.310 nan 0.000 0.555 584 G N -1.109 107.591 108.800 -0.167 0.000 2.601 584 G HA2 0.519 4.479 3.960 -0.000 0.000 0.317 584 G HA3 0.519 4.479 3.960 -0.000 0.000 0.317 584 G C -0.969 173.800 174.900 -0.218 0.000 1.246 584 G CA -1.151 43.715 45.100 -0.390 0.000 1.012 584 G HN 1.011 nan 8.290 nan 0.000 0.494 585 Y N -2.267 117.999 120.300 -0.057 0.000 4.272 585 Y HA -0.229 4.321 4.550 -0.000 0.000 0.232 585 Y C 1.338 177.224 175.900 -0.024 0.000 1.149 585 Y CA 0.998 59.080 58.100 -0.029 0.000 1.961 585 Y CB -1.977 36.486 38.460 0.005 0.000 1.611 585 Y HN 0.531 nan 8.280 nan 0.000 0.682 586 Q N -0.117 119.673 119.800 -0.017 0.000 2.073 586 Q HA 0.481 4.821 4.340 -0.000 0.000 0.215 586 Q C 0.851 176.696 176.000 -0.257 0.000 0.776 586 Q CA 0.207 56.005 55.803 -0.009 0.000 1.008 586 Q CB 1.973 30.698 28.738 -0.023 0.000 1.196 586 Q HN 0.585 nan 8.270 nan 0.000 0.458 587 G N 0.722 109.243 108.800 -0.466 0.000 2.629 587 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.686 587 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.686 587 G C -0.587 173.936 174.900 -0.628 0.000 1.232 587 G CA -0.577 44.009 45.100 -0.856 0.000 0.803 587 G HN 0.051 nan 8.290 nan 0.000 0.638 588 D N -0.028 119.984 120.400 -0.647 0.000 2.218 588 D HA -0.059 4.581 4.640 -0.000 0.000 0.204 588 D C 2.252 178.271 176.300 -0.468 0.000 0.976 588 D CA 1.388 54.961 54.000 -0.712 0.000 0.853 588 D CB 0.092 40.547 40.800 -0.576 0.000 0.939 588 D HN 0.467 nan 8.370 nan 0.000 0.481 589 K N 0.740 120.925 120.400 -0.359 0.000 2.097 589 K HA -0.046 4.274 4.320 -0.000 0.000 0.206 589 K C 1.858 178.356 176.600 -0.170 0.000 1.049 589 K CA 0.924 57.080 56.287 -0.219 0.000 0.933 589 K CB -0.268 32.111 32.500 -0.201 0.000 0.717 589 K HN 0.166 nan 8.250 nan 0.000 0.442 590 I N -0.595 119.850 120.570 -0.209 0.000 2.429 590 I HA -0.095 4.075 4.170 -0.000 0.000 0.247 590 I C 2.482 178.536 176.117 -0.104 0.000 1.099 590 I CA 0.794 62.028 61.300 -0.110 0.000 1.422 590 I CB -0.157 37.777 38.000 -0.109 0.000 1.112 590 I HN 0.205 nan 8.210 nan 0.000 0.430 591 M N 0.276 119.733 119.600 -0.238 0.000 2.086 591 M HA -0.218 4.262 4.480 -0.000 0.000 0.261 591 M C 2.052 178.291 176.300 -0.102 0.000 1.067 591 M CA 1.853 57.014 55.300 -0.232 0.000 1.116 591 M CB -0.227 32.109 32.600 -0.439 0.000 1.348 591 M HN 0.248 nan 8.290 nan 0.000 0.407 592 H N -0.117 118.818 119.070 -0.224 0.000 2.556 592 H HA 0.209 4.765 4.556 -0.000 0.000 0.268 592 H C 1.896 177.219 175.328 -0.008 0.000 0.996 592 H CA 0.775 56.705 56.048 -0.197 0.000 1.157 592 H CB -0.620 28.948 29.762 -0.324 0.000 1.355 592 H HN 0.496 nan 8.280 nan 0.000 0.597 593 A N 1.334 124.221 122.820 0.112 0.000 1.986 593 A HA -0.158 4.162 4.320 -0.000 0.000 0.220 593 A C 1.826 179.573 177.584 0.272 0.000 1.171 593 A CA 1.677 53.785 52.037 0.118 0.000 0.640 593 A CB -0.585 18.444 19.000 0.048 0.000 0.811 593 A HN 0.377 nan 8.150 nan 0.000 0.451 594 I N -2.538 118.198 120.570 0.277 0.000 3.914 594 I HA 0.208 4.377 4.170 -0.000 0.000 0.333 594 I C 0.258 176.486 176.117 0.186 0.000 1.449 594 I CA -0.772 60.684 61.300 0.261 0.000 1.135 594 I CB -0.803 37.329 38.000 0.221 0.000 1.073 594 I HN 0.214 nan 8.210 nan 0.000 0.401 595 N N 2.936 121.782 118.700 0.244 0.000 2.447 595 N HA -0.007 4.733 4.740 -0.000 0.000 0.263 595 N C 0.226 175.782 175.510 0.077 0.000 1.226 595 N CA 0.127 53.323 53.050 0.244 0.000 0.906 595 N CB 0.294 38.914 38.487 0.221 0.000 1.060 595 N HN 0.365 nan 8.380 nan 0.000 0.468 596 R N 0.747 121.259 120.500 0.021 0.000 3.994 596 R HA -0.136 4.204 4.340 -0.000 0.000 0.403 596 R C -0.381 175.758 176.300 -0.267 0.000 1.126 596 R CA 0.778 56.831 56.100 -0.078 0.000 1.143 596 R CB -0.804 29.470 30.300 -0.043 0.000 1.695 596 R HN 0.638 nan 8.270 nan 0.000 0.555 597 R N 0.531 120.889 120.500 -0.237 0.000 2.718 597 R HA 0.227 4.567 4.340 -0.000 0.000 0.307 597 R C -0.817 175.457 176.300 -0.044 0.000 1.244 597 R CA -0.630 55.212 56.100 -0.430 0.000 1.348 597 R CB 0.394 30.514 30.300 -0.300 0.000 1.304 597 R HN -0.100 nan 8.270 nan 0.000 0.663 598 L N 0.223 121.502 121.223 0.092 0.000 2.456 598 L HA 0.279 4.619 4.340 -0.000 0.000 0.272 598 L C 1.500 178.648 176.870 0.463 0.000 1.189 598 L CA 1.309 56.276 54.840 0.212 0.000 0.846 598 L CB 0.528 42.503 42.059 -0.141 0.000 1.111 598 L HN 0.777 nan 8.230 nan 0.000 0.475 599 G N 1.048 110.131 108.800 0.471 0.000 2.137 599 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.237 599 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.237 599 G C 0.569 175.554 174.900 0.142 0.000 1.002 599 G CA 0.887 46.189 45.100 0.336 0.000 0.702 599 G HN 0.890 nan 8.290 nan 0.000 0.515 600 T N -3.615 110.990 114.554 0.085 0.000 3.479 600 T HA 0.450 4.800 4.350 -0.000 0.000 0.197 600 T C 1.690 176.328 174.700 -0.103 0.000 0.912 600 T CA 1.006 63.027 62.100 -0.131 0.000 1.281 600 T CB -0.006 68.604 68.868 -0.430 0.000 1.588 600 T HN 0.138 nan 8.240 nan 0.000 0.389 601 F N 3.241 123.255 119.950 0.107 0.000 2.259 601 F HA 0.183 4.710 4.527 -0.000 0.000 0.298 601 F C 2.810 178.669 175.800 0.099 0.000 1.088 601 F CA 0.950 59.000 58.000 0.084 0.000 1.358 601 F CB -0.491 38.554 39.000 0.075 0.000 1.040 601 F HN 0.461 nan 8.300 nan 0.000 0.505 602 E N 0.812 121.191 120.200 0.299 0.000 2.150 602 E HA -0.120 4.230 4.350 -0.000 0.000 0.193 602 E C 2.093 178.827 176.600 0.223 0.000 0.985 602 E CA 1.447 58.004 56.400 0.262 0.000 0.814 602 E CB -1.025 28.843 29.700 0.280 0.000 0.752 602 E HN 0.290 nan 8.360 nan 0.000 0.466 603 V N 1.771 121.787 119.914 0.170 0.000 2.283 603 V HA -0.221 3.899 4.120 -0.000 0.000 0.243 603 V C 2.393 178.533 176.094 0.076 0.000 1.039 603 V CA 2.200 64.552 62.300 0.087 0.000 1.016 603 V CB -0.647 31.181 31.823 0.009 0.000 0.650 603 V HN 0.213 nan 8.190 nan 0.000 0.449 604 E N 0.075 120.328 120.200 0.087 0.000 2.118 604 E HA -0.252 4.098 4.350 -0.000 0.000 0.195 604 E C 1.916 178.546 176.600 0.051 0.000 0.992 604 E CA 1.531 57.976 56.400 0.075 0.000 0.804 604 E CB -0.192 29.576 29.700 0.113 0.000 0.741 604 E HN 0.572 nan 8.360 nan 0.000 0.458 605 D N 0.136 120.592 120.400 0.093 0.000 2.219 605 D HA -0.119 4.521 4.640 -0.000 0.000 0.205 605 D C 1.921 178.203 176.300 -0.029 0.000 0.970 605 D CA 0.733 54.767 54.000 0.055 0.000 0.851 605 D CB -0.017 40.907 40.800 0.207 0.000 0.943 605 D HN 0.129 nan 8.370 nan 0.000 0.488 606 Q N 0.017 119.870 119.800 0.088 0.000 2.137 606 Q HA 0.026 4.366 4.340 -0.000 0.000 0.198 606 Q C 2.528 178.567 176.000 0.065 0.000 0.960 606 Q CA 0.354 56.213 55.803 0.093 0.000 0.847 606 Q CB 0.090 28.925 28.738 0.161 0.000 0.915 606 Q HN 0.416 nan 8.270 nan 0.000 0.448 607 I N 0.771 121.392 120.570 0.085 0.000 2.226 607 I HA -0.255 3.915 4.170 -0.000 0.000 0.245 607 I C 2.371 178.440 176.117 -0.079 0.000 1.100 607 I CA 1.192 62.584 61.300 0.154 0.000 1.374 607 I CB -0.167 37.913 38.000 0.134 0.000 1.057 607 I HN 0.132 nan 8.210 nan 0.000 0.413 608 E N 1.476 121.563 120.200 -0.189 0.000 2.106 608 E HA -0.175 4.174 4.350 -0.000 0.000 0.192 608 E C 2.102 178.366 176.600 -0.559 0.000 0.984 608 E CA 1.448 57.661 56.400 -0.313 0.000 0.806 608 E CB -0.169 29.365 29.700 -0.277 0.000 0.750 608 E HN 0.397 nan 8.360 nan 0.000 0.458 609 A N 1.106 123.442 122.820 -0.807 0.000 1.884 609 A HA -0.217 4.103 4.320 -0.000 0.000 0.219 609 A C 2.513 179.384 177.584 -1.188 0.000 1.197 609 A CA 2.739 54.014 52.037 -1.269 0.000 0.637 609 A CB -1.363 16.961 19.000 -1.126 0.000 0.827 609 A HN 0.421 nan 8.150 nan 0.000 0.450 610 A N -0.651 121.862 122.820 -0.511 0.000 1.908 610 A HA -0.198 4.122 4.320 -0.000 0.000 0.218 610 A C 2.247 179.622 177.584 -0.348 0.000 1.181 610 A CA 1.662 53.535 52.037 -0.274 0.000 0.627 610 A CB -0.524 18.338 19.000 -0.230 0.000 0.818 610 A HN 0.569 nan 8.150 nan 0.000 0.445 611 R N -0.890 119.392 120.500 -0.363 0.000 2.105 611 R HA -0.134 4.205 4.340 -0.000 0.000 0.239 611 R C 2.342 178.452 176.300 -0.316 0.000 1.135 611 R CA 1.418 57.342 56.100 -0.295 0.000 0.967 611 R CB -0.248 29.906 30.300 -0.243 0.000 0.861 611 R HN 0.561 nan 8.270 nan 0.000 0.442 612 Q N -0.369 119.151 119.800 -0.467 0.000 2.119 612 Q HA -0.094 4.246 4.340 -0.000 0.000 0.201 612 Q C 1.955 177.743 176.000 -0.353 0.000 0.972 612 Q CA 1.292 56.828 55.803 -0.446 0.000 0.847 612 Q CB -0.098 28.291 28.738 -0.582 0.000 0.903 612 Q HN 0.296 nan 8.270 nan 0.000 0.433 613 F N 1.074 120.852 119.950 -0.287 0.000 2.206 613 F HA -0.104 4.422 4.527 -0.000 0.000 0.298 613 F C 2.610 178.199 175.800 -0.352 0.000 1.090 613 F CA 1.120 58.933 58.000 -0.312 0.000 1.323 613 F CB -1.149 37.716 39.000 -0.225 0.000 1.028 613 F HN 0.045 nan 8.300 nan 0.000 0.492 614 S N -0.263 115.363 115.700 -0.123 0.000 2.383 614 S HA -0.116 4.354 4.470 -0.000 0.000 0.227 614 S C 1.818 176.303 174.600 -0.192 0.000 1.026 614 S CA 0.633 58.732 58.200 -0.168 0.000 0.981 614 S CB -0.373 62.737 63.200 -0.150 0.000 0.818 614 S HN 0.174 nan 8.310 nan 0.000 0.472 615 K N 1.209 121.501 120.400 -0.179 0.000 2.442 615 K HA 0.198 4.518 4.320 -0.000 0.000 0.198 615 K C 1.735 178.239 176.600 -0.160 0.000 1.042 615 K CA 0.595 56.792 56.287 -0.151 0.000 0.958 615 K CB -0.519 31.903 32.500 -0.131 0.000 0.766 615 K HN 0.519 nan 8.250 nan 0.000 0.474 616 M N -0.937 118.516 119.600 -0.245 0.000 2.394 616 M HA -0.060 4.420 4.480 -0.000 0.000 0.264 616 M C 1.328 177.433 176.300 -0.326 0.000 1.073 616 M CA 1.375 56.495 55.300 -0.300 0.000 1.111 616 M CB -0.004 32.307 32.600 -0.482 0.000 1.401 616 M HN 0.421 nan 8.290 nan 0.000 0.448 617 G N 0.416 109.007 108.800 -0.347 0.000 2.232 617 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.226 617 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.226 617 G C 0.464 175.329 174.900 -0.058 0.000 0.996 617 G CA 0.170 45.182 45.100 -0.148 0.000 0.626 617 G HN 0.587 nan 8.290 nan 0.000 0.509 618 F N 0.653 120.663 119.950 0.099 0.000 2.668 618 F HA 0.789 5.316 4.527 -0.000 0.000 0.297 618 F C 0.053 175.979 175.800 0.210 0.000 1.124 618 F CA -1.037 57.062 58.000 0.165 0.000 1.353 618 F CB 0.409 39.560 39.000 0.252 0.000 0.992 618 F HN 0.052 nan 8.300 nan 0.000 0.524 619 V N 1.273 121.190 119.914 0.006 0.000 2.448 619 V HA 0.181 4.301 4.120 -0.000 0.000 0.295 619 V C -0.746 175.336 176.094 -0.021 0.000 1.025 619 V CA -0.770 61.546 62.300 0.026 0.000 0.859 619 V CB 1.627 33.405 31.823 -0.075 0.000 0.988 619 V HN 0.110 nan 8.190 nan 0.000 0.431 620 D N 3.781 124.166 120.400 -0.025 0.000 2.359 620 D HA 0.038 4.678 4.640 -0.000 0.000 0.250 620 D C 1.140 177.387 176.300 -0.089 0.000 1.264 620 D CA -0.146 53.811 54.000 -0.073 0.000 0.911 620 D CB 0.568 41.304 40.800 -0.107 0.000 1.056 620 D HN 0.676 nan 8.370 nan 0.000 0.499 621 N N 2.882 121.532 118.700 -0.083 0.000 2.571 621 N HA -0.106 4.634 4.740 -0.000 0.000 0.189 621 N C 0.916 176.378 175.510 -0.079 0.000 1.154 621 N CA 0.544 53.537 53.050 -0.095 0.000 0.907 621 N CB 0.049 38.471 38.487 -0.107 0.000 0.977 621 N HN 0.290 nan 8.380 nan 0.000 0.449 622 K N -0.208 120.155 120.400 -0.062 0.000 2.400 622 K HA 0.178 4.498 4.320 -0.000 0.000 0.194 622 K C 0.094 176.690 176.600 -0.006 0.000 1.033 622 K CA 0.271 56.538 56.287 -0.033 0.000 1.021 622 K CB 0.305 32.788 32.500 -0.028 0.000 0.808 622 K HN 0.176 nan 8.250 nan 0.000 0.505 623 R N 1.171 121.639 120.500 -0.053 0.000 2.681 623 R HA 0.340 4.680 4.340 -0.000 0.000 0.277 623 R C -1.038 175.206 176.300 -0.093 0.000 1.563 623 R CA -0.137 55.921 56.100 -0.069 0.000 1.673 623 R CB 0.658 30.762 30.300 -0.327 0.000 1.258 623 R HN -0.010 nan 8.270 nan 0.000 0.650 624 I N 1.151 121.791 120.570 0.116 0.000 2.406 624 I HA 0.552 4.722 4.170 -0.000 0.000 0.290 624 I C 0.025 176.426 176.117 0.474 0.000 0.999 624 I CA -0.762 60.655 61.300 0.194 0.000 1.124 624 I CB 1.917 39.887 38.000 -0.049 0.000 1.289 624 I HN 0.303 nan 8.210 nan 0.000 0.441 625 A N 7.040 130.242 122.820 0.637 0.000 2.387 625 A HA 0.922 5.242 4.320 -0.000 0.000 0.303 625 A C -1.113 176.823 177.584 0.587 0.000 1.145 625 A CA -0.651 51.745 52.037 0.597 0.000 0.801 625 A CB 2.041 21.284 19.000 0.405 0.000 1.342 625 A HN 0.736 nan 8.150 nan 0.000 0.440 626 I N 0.653 121.472 120.570 0.415 0.000 2.722 626 I HA 0.717 4.886 4.170 -0.000 0.000 0.295 626 I C -1.842 174.511 176.117 0.394 0.000 1.161 626 I CA -0.541 60.926 61.300 0.278 0.000 1.032 626 I CB 1.618 39.486 38.000 -0.220 0.000 1.244 626 I HN 0.926 nan 8.210 nan 0.000 0.421 627 W N 7.020 128.436 121.300 0.193 0.000 3.137 627 W HA 0.838 5.498 4.660 -0.000 0.000 0.324 627 W C -1.618 175.037 176.519 0.226 0.000 1.253 627 W CA -0.994 56.477 57.345 0.210 0.000 1.183 627 W CB 1.136 30.771 29.460 0.292 0.000 1.424 627 W HN 0.843 nan 8.180 nan 0.000 0.566 628 G N 1.033 109.729 108.800 -0.172 0.000 2.616 628 G HA2 0.403 4.362 3.960 -0.000 0.000 0.294 628 G HA3 0.403 4.362 3.960 -0.000 0.000 0.294 628 G C -2.628 172.191 174.900 -0.135 0.000 1.489 628 G CA -0.761 44.093 45.100 -0.410 0.000 0.836 628 G HN 0.604 nan 8.290 nan 0.000 0.527 629 W N 1.319 122.441 121.300 -0.297 0.000 2.578 629 W HA 0.564 5.224 4.660 -0.000 0.000 0.346 629 W C 0.967 177.438 176.519 -0.081 0.000 1.075 629 W CA 0.719 57.975 57.345 -0.148 0.000 1.233 629 W CB 1.667 31.034 29.460 -0.155 0.000 1.358 629 W HN 1.085 nan 8.180 nan 0.000 0.574 630 S N 1.400 117.277 115.700 0.295 0.000 4.114 630 S HA -0.432 4.038 4.470 -0.000 0.000 0.618 630 S C 0.821 175.535 174.600 0.189 0.000 1.937 630 S CA 1.611 59.990 58.200 0.299 0.000 4.228 630 S CB -1.590 61.826 63.200 0.361 0.000 0.216 630 S HN 0.756 nan 8.310 nan 0.000 0.528 631 Y N 2.966 123.338 120.300 0.121 0.000 2.274 631 Y HA -0.014 4.536 4.550 -0.000 0.000 0.290 631 Y C 2.467 178.553 175.900 0.310 0.000 1.145 631 Y CA 2.001 60.264 58.100 0.271 0.000 1.203 631 Y CB -0.912 37.805 38.460 0.428 0.000 0.984 631 Y HN 0.566 nan 8.280 nan 0.000 0.533 632 G N -0.905 108.147 108.800 0.419 0.000 2.432 632 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.219 632 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.219 632 G C 1.820 176.801 174.900 0.135 0.000 1.135 632 G CA 0.731 45.990 45.100 0.265 0.000 0.767 632 G HN 0.560 nan 8.290 nan 0.000 0.550 633 G N -0.264 108.601 108.800 0.109 0.000 2.403 633 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.216 633 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.216 633 G C 1.534 176.483 174.900 0.083 0.000 1.154 633 G CA 0.921 46.057 45.100 0.060 0.000 0.784 633 G HN 0.466 nan 8.290 nan 0.000 0.538 634 Y N 1.035 121.288 120.300 -0.079 0.000 2.114 634 Y HA -0.157 4.393 4.550 -0.000 0.000 0.284 634 Y C 2.794 178.645 175.900 -0.082 0.000 1.143 634 Y CA 1.832 59.832 58.100 -0.165 0.000 1.135 634 Y CB -0.232 37.991 38.460 -0.396 0.000 0.980 634 Y HN 0.025 nan 8.280 nan 0.000 0.499 635 V N -0.052 119.797 119.914 -0.108 0.000 2.343 635 V HA -0.326 3.794 4.120 -0.000 0.000 0.247 635 V C 2.302 178.321 176.094 -0.124 0.000 1.051 635 V CA 2.406 64.627 62.300 -0.131 0.000 1.036 635 V CB -1.032 30.886 31.823 0.158 0.000 0.654 635 V HN 0.534 nan 8.190 nan 0.000 0.451 636 T N -0.121 114.411 114.554 -0.037 0.000 2.665 636 T HA -0.211 4.139 4.350 -0.000 0.000 0.268 636 T C 2.124 176.799 174.700 -0.042 0.000 1.035 636 T CA 2.075 64.155 62.100 -0.034 0.000 1.151 636 T CB -0.270 68.642 68.868 0.074 0.000 0.862 636 T HN 0.536 nan 8.240 nan 0.000 0.438 637 S N 1.028 116.739 115.700 0.018 0.000 2.368 637 S HA -0.017 4.453 4.470 -0.000 0.000 0.224 637 S C 2.161 176.717 174.600 -0.073 0.000 1.029 637 S CA 0.934 59.187 58.200 0.087 0.000 0.988 637 S CB -0.281 62.999 63.200 0.134 0.000 0.838 637 S HN 0.326 nan 8.310 nan 0.000 0.462 638 M N 0.983 120.445 119.600 -0.230 0.000 2.117 638 M HA -0.041 4.439 4.480 -0.000 0.000 0.262 638 M C 2.258 178.419 176.300 -0.230 0.000 1.065 638 M CA 1.113 56.253 55.300 -0.267 0.000 1.114 638 M CB -1.470 30.875 32.600 -0.425 0.000 1.361 638 M HN 0.173 nan 8.290 nan 0.000 0.408 639 V N 0.781 120.554 119.914 -0.234 0.000 2.343 639 V HA -0.249 3.871 4.120 -0.000 0.000 0.247 639 V C 2.498 178.416 176.094 -0.294 0.000 1.051 639 V CA 1.487 63.642 62.300 -0.242 0.000 1.036 639 V CB -0.605 31.009 31.823 -0.348 0.000 0.654 639 V HN 0.419 nan 8.190 nan 0.000 0.451 640 L N 0.154 121.140 121.223 -0.395 0.000 2.291 640 L HA 0.003 4.343 4.340 -0.000 0.000 0.214 640 L C 2.172 178.455 176.870 -0.978 0.000 1.120 640 L CA 1.276 55.763 54.840 -0.589 0.000 0.799 640 L CB -0.618 41.078 42.059 -0.605 0.000 0.925 640 L HN 0.472 nan 8.230 nan 0.000 0.446 641 G N -1.333 106.978 108.800 -0.815 0.000 3.189 641 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.225 641 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.225 641 G C 1.517 176.275 174.900 -0.237 0.000 1.159 641 G CA 0.572 45.343 45.100 -0.548 0.000 0.763 641 G HN 0.406 nan 8.290 nan 0.000 0.549 642 S N -0.453 115.123 115.700 -0.207 0.000 2.436 642 S HA 0.274 4.743 4.470 -0.000 0.000 0.228 642 S C 2.005 176.562 174.600 -0.073 0.000 1.014 642 S CA 1.174 59.310 58.200 -0.106 0.000 0.950 642 S CB -0.205 62.952 63.200 -0.071 0.000 0.784 642 S HN 1.392 nan 8.310 nan 0.000 0.504 643 G N 1.131 109.880 108.800 -0.086 0.000 2.136 643 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.242 643 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.242 643 G C 0.976 175.863 174.900 -0.022 0.000 0.989 643 G CA 1.002 46.072 45.100 -0.051 0.000 0.682 643 G HN 1.317 nan 8.290 nan 0.000 0.522 644 S N -0.478 115.220 115.700 -0.003 0.000 2.423 644 S HA 0.302 4.771 4.470 -0.000 0.000 0.231 644 S C 2.531 177.130 174.600 -0.002 0.000 1.014 644 S CA 1.727 59.933 58.200 0.010 0.000 0.965 644 S CB -0.264 62.966 63.200 0.049 0.000 0.785 644 S HN 2.422 nan 8.310 nan 0.000 0.495 645 G N -0.037 108.770 108.800 0.012 0.000 2.162 645 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.260 645 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.260 645 G C 0.720 175.595 174.900 -0.041 0.000 0.976 645 G CA 0.406 45.503 45.100 -0.005 0.000 0.655 645 G HN 0.744 nan 8.290 nan 0.000 0.533 646 V N -0.758 119.107 119.914 -0.081 0.000 2.719 646 V HA 0.289 4.409 4.120 -0.000 0.000 0.252 646 V C 1.094 176.919 176.094 -0.448 0.000 1.065 646 V CA 1.345 63.450 62.300 -0.325 0.000 1.086 646 V CB -0.346 31.157 31.823 -0.534 0.000 0.700 646 V HN 0.311 nan 8.190 nan 0.000 0.467 647 F N -0.220 119.741 119.950 0.020 0.000 2.469 647 F HA 0.434 4.961 4.527 -0.000 0.000 0.332 647 F C 1.022 176.863 175.800 0.068 0.000 1.103 647 F CA -0.647 57.390 58.000 0.063 0.000 0.979 647 F CB 1.741 40.781 39.000 0.067 0.000 1.137 647 F HN -0.281 nan 8.300 nan 0.000 0.463 648 K N 1.511 122.077 120.400 0.277 0.000 2.128 648 K HA 0.142 4.462 4.320 -0.000 0.000 0.202 648 K C -0.025 176.701 176.600 0.210 0.000 1.050 648 K CA 0.857 57.264 56.287 0.200 0.000 0.966 648 K CB 0.312 32.928 32.500 0.194 0.000 0.759 648 K HN 0.795 nan 8.250 nan 0.000 0.454 649 c N -2.566 116.194 118.600 0.267 0.000 3.332 649 c HA 0.919 5.489 4.570 -0.000 0.000 0.329 649 c C -0.275 174.035 174.090 0.367 0.000 1.434 649 c CA -0.497 56.007 56.329 0.292 0.000 1.314 649 c CB 1.101 43.693 42.510 0.137 0.000 1.664 649 c HN 0.375 nan 8.230 nan 0.000 0.457 650 G N 0.005 109.095 108.800 0.482 0.000 2.632 650 G HA2 0.669 4.629 3.960 -0.000 0.000 0.292 650 G HA3 0.669 4.629 3.960 -0.000 0.000 0.292 650 G C -2.026 173.095 174.900 0.368 0.000 1.465 650 G CA -0.665 44.692 45.100 0.429 0.000 0.824 650 G HN 1.002 nan 8.290 nan 0.000 0.509 651 I N 1.085 121.832 120.570 0.295 0.000 2.418 651 I HA 0.589 4.759 4.170 -0.000 0.000 0.287 651 I C 0.315 176.518 176.117 0.144 0.000 1.008 651 I CA -0.882 60.465 61.300 0.078 0.000 1.104 651 I CB 2.100 40.149 38.000 0.081 0.000 1.264 651 I HN 0.643 nan 8.210 nan 0.000 0.438 652 A N 6.706 129.500 122.820 -0.043 0.000 2.271 652 A HA 0.764 5.084 4.320 -0.000 0.000 0.317 652 A C -0.598 176.874 177.584 -0.186 0.000 1.245 652 A CA -0.488 51.537 52.037 -0.020 0.000 0.857 652 A CB 0.977 20.026 19.000 0.082 0.000 1.175 652 A HN 0.455 nan 8.150 nan 0.000 0.512 653 V N 2.219 121.968 119.914 -0.275 0.000 2.384 653 V HA 0.558 4.678 4.120 -0.000 0.000 0.287 653 V C 0.912 176.567 176.094 -0.732 0.000 1.020 653 V CA 0.270 62.172 62.300 -0.663 0.000 0.850 653 V CB 0.676 31.760 31.823 -1.231 0.000 0.987 653 V HN 2.047 nan 8.190 nan 0.000 0.436 654 A N 5.767 128.162 122.820 -0.707 0.000 2.415 654 A HA -0.104 4.216 4.320 -0.000 0.000 0.292 654 A C -1.853 175.584 177.584 -0.246 0.000 1.452 654 A CA 0.351 51.919 52.037 -0.781 0.000 0.750 654 A CB -1.502 17.127 19.000 -0.619 0.000 1.099 654 A HN 0.615 nan 8.150 nan 0.000 0.391 655 P HA 0.432 nan 4.420 nan 0.000 0.282 655 P C 0.203 177.476 177.300 -0.046 0.000 1.249 655 P CA -0.252 62.830 63.100 -0.031 0.000 0.806 655 P CB 1.278 32.985 31.700 0.012 0.000 0.984 656 V N 2.388 122.185 119.914 -0.196 0.000 2.715 656 V HA 0.037 4.157 4.120 -0.000 0.000 0.299 656 V C 1.848 177.779 176.094 -0.272 0.000 1.054 656 V CA 1.083 63.123 62.300 -0.434 0.000 1.077 656 V CB 0.524 31.673 31.823 -1.123 0.000 0.972 656 V HN 0.838 nan 8.190 nan 0.000 0.484 657 S N 4.069 119.642 115.700 -0.212 0.000 2.599 657 S HA 0.224 4.694 4.470 -0.000 0.000 0.236 657 S C 0.562 175.030 174.600 -0.220 0.000 1.077 657 S CA -0.302 57.841 58.200 -0.095 0.000 0.906 657 S CB 0.325 63.530 63.200 0.008 0.000 0.804 657 S HN 0.840 nan 8.310 nan 0.000 0.497 658 R N -1.157 119.102 120.500 -0.401 0.000 2.643 658 R HA 0.358 4.697 4.340 -0.000 0.000 0.269 658 R C -0.950 175.039 176.300 -0.518 0.000 1.037 658 R CA -0.851 54.932 56.100 -0.528 0.000 0.894 658 R CB 0.026 30.036 30.300 -0.484 0.000 1.238 658 R HN 0.223 nan 8.270 nan 0.000 0.459 659 W N 1.300 122.536 121.300 -0.108 0.000 2.465 659 W HA 0.010 4.670 4.660 -0.000 0.000 0.268 659 W C 1.294 177.964 176.519 0.253 0.000 1.242 659 W CA 0.623 57.996 57.345 0.046 0.000 1.248 659 W CB 0.196 29.594 29.460 -0.103 0.000 1.118 659 W HN 0.742 nan 8.180 nan 0.000 0.587 660 E N -0.807 119.593 120.200 0.334 0.000 2.265 660 E HA -0.206 4.144 4.350 -0.000 0.000 0.196 660 E C 1.396 178.164 176.600 0.279 0.000 0.996 660 E CA 1.108 57.643 56.400 0.225 0.000 0.832 660 E CB -0.438 29.279 29.700 0.028 0.000 0.756 660 E HN 0.348 nan 8.360 nan 0.000 0.491 661 Y N -1.493 118.915 120.300 0.181 0.000 2.519 661 Y HA 0.083 4.633 4.550 -0.000 0.000 0.287 661 Y C 0.682 176.696 175.900 0.191 0.000 1.128 661 Y CA -0.332 57.843 58.100 0.125 0.000 1.282 661 Y CB -0.470 38.008 38.460 0.029 0.000 1.027 661 Y HN 0.029 nan 8.280 nan 0.000 0.551 662 Y N 1.746 122.221 120.300 0.293 0.000 2.458 662 Y HA 0.308 4.858 4.550 -0.000 0.000 0.322 662 Y C 0.187 176.314 175.900 0.378 0.000 1.259 662 Y CA -2.208 56.068 58.100 0.294 0.000 1.302 662 Y CB 0.419 39.075 38.460 0.326 0.000 1.314 662 Y HN 0.162 nan 8.280 nan 0.000 0.509 663 D N -0.346 119.787 120.400 -0.445 0.000 2.382 663 D HA 0.077 4.717 4.640 -0.000 0.000 0.240 663 D C 0.922 177.194 176.300 -0.047 0.000 1.146 663 D CA 0.411 54.203 54.000 -0.346 0.000 0.897 663 D CB 0.963 41.334 40.800 -0.715 0.000 1.197 663 D HN 0.498 nan 8.370 nan 0.000 0.432 664 S N 1.338 117.022 115.700 -0.026 0.000 2.356 664 S HA -0.215 4.255 4.470 -0.000 0.000 0.223 664 S C 1.900 176.521 174.600 0.035 0.000 1.032 664 S CA 1.109 59.347 58.200 0.063 0.000 1.005 664 S CB -0.943 62.302 63.200 0.075 0.000 0.867 664 S HN 0.428 nan 8.310 nan 0.000 0.449 665 V N 0.838 120.714 119.914 -0.063 0.000 2.287 665 V HA -0.174 3.946 4.120 -0.000 0.000 0.248 665 V C 2.304 178.313 176.094 -0.141 0.000 1.053 665 V CA 2.237 64.417 62.300 -0.200 0.000 1.027 665 V CB -1.064 30.495 31.823 -0.441 0.000 0.646 665 V HN 0.601 nan 8.190 nan 0.000 0.447 666 Y N 1.245 121.479 120.300 -0.109 0.000 2.133 666 Y HA -0.228 4.322 4.550 -0.000 0.000 0.287 666 Y C 2.741 178.628 175.900 -0.021 0.000 1.134 666 Y CA 2.329 60.439 58.100 0.017 0.000 1.133 666 Y CB -0.544 38.120 38.460 0.339 0.000 0.987 666 Y HN 0.217 nan 8.280 nan 0.000 0.502 667 T N 0.335 115.065 114.554 0.293 0.000 2.684 667 T HA -0.209 4.140 4.350 -0.000 0.000 0.267 667 T C 1.542 176.187 174.700 -0.091 0.000 1.036 667 T CA 2.010 64.222 62.100 0.187 0.000 1.148 667 T CB -0.308 68.832 68.868 0.452 0.000 0.863 667 T HN 0.441 nan 8.240 nan 0.000 0.436 668 E N 0.456 120.631 120.200 -0.041 0.000 2.208 668 E HA -0.032 4.318 4.350 -0.000 0.000 0.193 668 E C 2.341 178.805 176.600 -0.227 0.000 0.988 668 E CA 0.280 56.655 56.400 -0.042 0.000 0.828 668 E CB -0.099 29.631 29.700 0.051 0.000 0.763 668 E HN 0.311 nan 8.360 nan 0.000 0.478 669 R N 0.087 120.286 120.500 -0.501 0.000 2.103 669 R HA -0.214 4.126 4.340 -0.000 0.000 0.242 669 R C 1.197 176.962 176.300 -0.891 0.000 1.142 669 R CA 1.724 57.327 56.100 -0.829 0.000 0.960 669 R CB -0.008 29.419 30.300 -1.456 0.000 0.858 669 R HN 0.272 nan 8.270 nan 0.000 0.439 670 Y N -2.497 117.501 120.300 -0.503 0.000 2.535 670 Y HA 0.204 4.754 4.550 -0.000 0.000 0.266 670 Y C 1.846 177.572 175.900 -0.290 0.000 1.088 670 Y CA 0.003 57.813 58.100 -0.483 0.000 1.285 670 Y CB 0.295 38.346 38.460 -0.682 0.000 1.166 670 Y HN -0.065 nan 8.280 nan 0.000 0.525 671 M N -0.494 118.997 119.600 -0.181 0.000 2.421 671 M HA 0.349 4.829 4.480 -0.000 0.000 0.258 671 M C 1.224 177.543 176.300 0.031 0.000 1.122 671 M CA 0.925 56.122 55.300 -0.171 0.000 1.078 671 M CB -0.374 31.940 32.600 -0.477 0.000 1.380 671 M HN 0.379 nan 8.290 nan 0.000 0.499 672 G N 1.881 110.710 108.800 0.048 0.000 2.562 672 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.250 672 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.250 672 G C -0.465 174.572 174.900 0.228 0.000 1.269 672 G CA -0.614 44.554 45.100 0.113 0.000 0.919 672 G HN 0.350 nan 8.290 nan 0.000 0.574 673 L N 2.120 123.450 121.223 0.178 0.000 2.322 673 L HA 0.478 4.817 4.340 -0.000 0.000 0.279 673 L C -1.614 175.244 176.870 -0.021 0.000 1.036 673 L CA -1.870 53.024 54.840 0.089 0.000 0.807 673 L CB 2.245 44.321 42.059 0.028 0.000 1.226 673 L HN 0.429 nan 8.230 nan 0.000 0.433 674 P HA 0.091 nan 4.420 nan 0.000 0.212 674 P C -0.609 176.538 177.300 -0.255 0.000 1.816 674 P CA -0.177 62.505 63.100 -0.697 0.000 0.944 674 P CB -0.380 30.593 31.700 -1.210 0.000 1.896 675 T N -2.906 111.586 114.554 -0.103 0.000 2.885 675 T HA 0.469 4.818 4.350 -0.000 0.000 0.285 675 T C -2.227 172.470 174.700 -0.006 0.000 1.019 675 T CA -2.608 59.464 62.100 -0.047 0.000 1.010 675 T CB 1.825 70.677 68.868 -0.027 0.000 1.022 675 T HN -0.284 nan 8.240 nan 0.000 0.466 676 P HA -0.126 nan 4.420 nan 0.000 0.220 676 P C 1.167 178.480 177.300 0.022 0.000 1.144 676 P CA 0.950 64.059 63.100 0.015 0.000 0.800 676 P CB 0.118 31.824 31.700 0.010 0.000 0.772 677 E N -2.002 118.208 120.200 0.017 0.000 2.463 677 E HA 0.053 4.403 4.350 -0.000 0.000 0.193 677 E C 0.532 177.148 176.600 0.027 0.000 1.041 677 E CA 0.306 56.718 56.400 0.019 0.000 0.879 677 E CB -0.025 29.681 29.700 0.010 0.000 0.997 677 E HN 0.202 nan 8.360 nan 0.000 0.478 678 D N 0.905 121.328 120.400 0.038 0.000 3.208 678 D HA 0.061 4.701 4.640 -0.000 0.000 0.193 678 D C 0.183 176.539 176.300 0.093 0.000 1.283 678 D CA -0.115 53.919 54.000 0.057 0.000 1.473 678 D CB -0.077 40.756 40.800 0.056 0.000 1.040 678 D HN 0.020 nan 8.370 nan 0.000 0.173 679 N N 0.036 118.825 118.700 0.148 0.000 2.241 679 N HA 0.112 4.852 4.740 -0.000 0.000 0.238 679 N C 1.093 176.815 175.510 0.355 0.000 1.244 679 N CA -0.074 53.119 53.050 0.240 0.000 0.880 679 N CB 0.282 38.932 38.487 0.272 0.000 1.179 679 N HN 0.120 nan 8.380 nan 0.000 0.513 680 L N 0.578 121.916 121.223 0.193 0.000 2.051 680 L HA -0.173 4.167 4.340 -0.000 0.000 0.214 680 L C 1.148 178.139 176.870 0.201 0.000 1.076 680 L CA 1.989 56.910 54.840 0.135 0.000 0.758 680 L CB -0.400 41.672 42.059 0.021 0.000 0.890 680 L HN 0.132 nan 8.230 nan 0.000 0.433 681 D N -1.564 118.936 120.400 0.167 0.000 2.104 681 D HA -0.255 4.385 4.640 -0.000 0.000 0.194 681 D C 2.081 178.485 176.300 0.173 0.000 0.994 681 D CA 1.825 55.910 54.000 0.142 0.000 0.830 681 D CB -0.239 40.630 40.800 0.116 0.000 0.959 681 D HN 0.598 nan 8.370 nan 0.000 0.452 682 H N -0.906 118.244 119.070 0.133 0.000 2.395 682 H HA -0.066 4.490 4.556 -0.000 0.000 0.299 682 H C 1.748 177.152 175.328 0.127 0.000 1.070 682 H CA 1.242 57.346 56.048 0.094 0.000 1.356 682 H CB -0.297 29.488 29.762 0.038 0.000 1.401 682 H HN 0.134 nan 8.280 nan 0.000 0.524 683 Y N 0.696 121.041 120.300 0.076 0.000 2.114 683 Y HA -0.262 4.288 4.550 -0.000 0.000 0.282 683 Y C 2.603 178.499 175.900 -0.007 0.000 1.165 683 Y CA 2.052 60.194 58.100 0.070 0.000 1.148 683 Y CB -0.044 38.469 38.460 0.089 0.000 0.972 683 Y HN 0.191 nan 8.280 nan 0.000 0.504 684 R N -0.397 120.195 120.500 0.154 0.000 2.115 684 R HA -0.082 4.258 4.340 -0.000 0.000 0.226 684 R C 1.663 177.961 176.300 -0.003 0.000 1.100 684 R CA 1.266 57.401 56.100 0.058 0.000 0.980 684 R CB -0.325 30.006 30.300 0.053 0.000 0.875 684 R HN 0.473 nan 8.270 nan 0.000 0.445 685 N N 0.452 119.123 118.700 -0.047 0.000 2.463 685 N HA -0.044 4.696 4.740 -0.000 0.000 0.181 685 N C 0.487 175.911 175.510 -0.143 0.000 1.078 685 N CA 0.850 53.848 53.050 -0.086 0.000 0.902 685 N CB 0.350 38.798 38.487 -0.064 0.000 0.970 685 N HN 0.163 nan 8.380 nan 0.000 0.451 686 S N -0.013 115.575 115.700 -0.187 0.000 2.574 686 S HA 0.041 4.511 4.470 -0.000 0.000 0.242 686 S C 0.651 175.291 174.600 0.066 0.000 0.982 686 S CA -0.742 57.405 58.200 -0.088 0.000 0.977 686 S CB -0.142 62.967 63.200 -0.152 0.000 0.814 686 S HN 0.147 nan 8.310 nan 0.000 0.464 687 T N -1.283 113.270 114.554 -0.002 0.000 2.904 687 T HA 0.455 4.805 4.350 -0.000 0.000 0.290 687 T C 1.338 176.030 174.700 -0.012 0.000 1.018 687 T CA -0.595 61.494 62.100 -0.019 0.000 1.075 687 T CB 1.230 70.058 68.868 -0.067 0.000 0.986 687 T HN -0.037 nan 8.240 nan 0.000 0.523 688 V N 2.246 122.149 119.914 -0.017 0.000 2.379 688 V HA -0.121 3.999 4.120 -0.000 0.000 0.245 688 V C 2.649 178.705 176.094 -0.063 0.000 1.044 688 V CA 1.652 63.928 62.300 -0.041 0.000 1.036 688 V CB -0.938 30.858 31.823 -0.046 0.000 0.664 688 V HN 0.830 nan 8.190 nan 0.000 0.453 689 M N 1.244 120.796 119.600 -0.080 0.000 2.144 689 M HA -0.183 4.296 4.480 -0.000 0.000 0.260 689 M C 2.378 178.644 176.300 -0.056 0.000 1.067 689 M CA 2.248 57.495 55.300 -0.089 0.000 1.095 689 M CB -1.057 31.505 32.600 -0.063 0.000 1.365 689 M HN 0.542 nan 8.290 nan 0.000 0.406 690 S N -0.339 115.340 115.700 -0.035 0.000 2.442 690 S HA -0.122 4.347 4.470 -0.000 0.000 0.236 690 S C 1.900 176.498 174.600 -0.003 0.000 1.007 690 S CA 0.954 59.143 58.200 -0.019 0.000 0.965 690 S CB -0.481 62.707 63.200 -0.019 0.000 0.773 690 S HN 0.537 nan 8.310 nan 0.000 0.504 691 R N 0.571 121.080 120.500 0.015 0.000 2.334 691 R HA 0.441 4.781 4.340 -0.000 0.000 0.216 691 R C 2.380 178.770 176.300 0.150 0.000 0.905 691 R CA 0.448 56.586 56.100 0.063 0.000 1.064 691 R CB -0.368 29.971 30.300 0.065 0.000 1.046 691 R HN 0.479 nan 8.270 nan 0.000 0.508 692 A N 1.739 124.594 122.820 0.059 0.000 1.896 692 A HA -0.340 3.980 4.320 -0.000 0.000 0.220 692 A C 1.998 179.653 177.584 0.119 0.000 1.206 692 A CA 2.154 54.188 52.037 -0.004 0.000 0.647 692 A CB -0.464 18.466 19.000 -0.116 0.000 0.828 692 A HN 0.296 nan 8.150 nan 0.000 0.455 693 E N 0.269 120.514 120.200 0.074 0.000 2.147 693 E HA -0.215 4.134 4.350 -0.000 0.000 0.199 693 E C 1.592 178.248 176.600 0.093 0.000 1.005 693 E CA 1.778 58.220 56.400 0.069 0.000 0.810 693 E CB -0.270 29.454 29.700 0.040 0.000 0.736 693 E HN 0.618 nan 8.360 nan 0.000 0.460 694 N N -0.705 118.053 118.700 0.098 0.000 2.512 694 N HA -0.084 4.656 4.740 -0.000 0.000 0.183 694 N C 0.643 176.138 175.510 -0.025 0.000 1.073 694 N CA 0.421 53.481 53.050 0.016 0.000 0.911 694 N CB -0.169 38.282 38.487 -0.060 0.000 0.964 694 N HN 0.213 nan 8.380 nan 0.000 0.447 695 F N 1.252 121.154 119.950 -0.080 0.000 2.699 695 F HA 0.082 4.609 4.527 -0.000 0.000 0.298 695 F C 1.843 177.643 175.800 0.001 0.000 1.154 695 F CA 0.474 58.423 58.000 -0.085 0.000 1.457 695 F CB 0.064 38.954 39.000 -0.184 0.000 1.106 695 F HN -0.061 nan 8.300 nan 0.000 0.585 696 K N -0.047 120.445 120.400 0.153 0.000 2.360 696 K HA -0.172 4.148 4.320 -0.000 0.000 0.201 696 K C 1.532 178.185 176.600 0.089 0.000 1.046 696 K CA 1.049 57.408 56.287 0.119 0.000 0.945 696 K CB -0.178 32.374 32.500 0.087 0.000 0.750 696 K HN 0.434 nan 8.250 nan 0.000 0.464 697 Q N 0.294 120.126 119.800 0.054 0.000 2.392 697 Q HA 0.030 4.370 4.340 -0.000 0.000 0.203 697 Q C 0.414 176.448 176.000 0.057 0.000 0.917 697 Q CA 0.127 55.953 55.803 0.039 0.000 0.939 697 Q CB 0.651 29.392 28.738 0.006 0.000 1.063 697 Q HN 0.133 nan 8.270 nan 0.000 0.516 698 V N -2.745 117.215 119.914 0.077 0.000 3.074 698 V HA 0.490 4.610 4.120 -0.000 0.000 0.314 698 V C -1.059 175.171 176.094 0.227 0.000 1.117 698 V CA -1.274 61.100 62.300 0.123 0.000 1.014 698 V CB 2.258 34.111 31.823 0.050 0.000 1.057 698 V HN -0.044 nan 8.190 nan 0.000 0.438 699 E N 1.479 121.842 120.200 0.272 0.000 2.174 699 E HA 0.485 4.835 4.350 -0.000 0.000 0.282 699 E C -1.849 175.111 176.600 0.600 0.000 0.992 699 E CA -0.351 56.277 56.400 0.380 0.000 0.803 699 E CB 1.763 31.609 29.700 0.242 0.000 1.090 699 E HN 0.697 nan 8.360 nan 0.000 0.396 700 Y N 3.320 123.892 120.300 0.454 0.000 2.391 700 Y HA 0.445 4.995 4.550 -0.000 0.000 0.341 700 Y C -1.722 174.284 175.900 0.176 0.000 0.965 700 Y CA -1.421 56.896 58.100 0.361 0.000 1.067 700 Y CB 1.066 39.770 38.460 0.407 0.000 1.199 700 Y HN 0.424 nan 8.280 nan 0.000 0.450 701 L N 7.635 128.569 121.223 -0.481 0.000 2.325 701 L HA 0.612 4.952 4.340 -0.000 0.000 0.281 701 L C -2.108 174.316 176.870 -0.744 0.000 1.004 701 L CA -0.762 53.646 54.840 -0.720 0.000 0.823 701 L CB 1.287 42.587 42.059 -1.266 0.000 1.236 701 L HN 0.654 nan 8.230 nan 0.000 0.415 702 L N 6.680 127.574 121.223 -0.548 0.000 2.313 702 L HA 0.700 5.040 4.340 -0.000 0.000 0.283 702 L C -1.149 175.611 176.870 -0.184 0.000 1.013 702 L CA -0.017 54.562 54.840 -0.435 0.000 0.816 702 L CB 1.211 43.071 42.059 -0.332 0.000 1.236 702 L HN 0.576 nan 8.230 nan 0.000 0.419 703 I N 4.444 124.909 120.570 -0.175 0.000 2.582 703 I HA 0.452 4.622 4.170 -0.000 0.000 0.292 703 I C -1.174 174.922 176.117 -0.035 0.000 1.066 703 I CA -0.681 60.571 61.300 -0.080 0.000 1.053 703 I CB 2.063 39.974 38.000 -0.150 0.000 1.241 703 I HN 0.672 nan 8.210 nan 0.000 0.421 704 H N 2.226 121.355 119.070 0.099 0.000 3.046 704 H HA 0.539 5.094 4.556 -0.000 0.000 0.363 704 H C -0.330 175.225 175.328 0.379 0.000 1.203 704 H CA -0.573 55.580 56.048 0.176 0.000 1.169 704 H CB 2.179 32.012 29.762 0.118 0.000 1.851 704 H HN 0.738 nan 8.280 nan 0.000 0.546 705 G N 0.698 109.838 108.800 0.565 0.000 2.372 705 G HA2 0.214 4.174 3.960 -0.000 0.000 0.283 705 G HA3 0.214 4.174 3.960 -0.000 0.000 0.283 705 G C 1.086 176.264 174.900 0.465 0.000 1.177 705 G CA 0.113 45.502 45.100 0.483 0.000 0.842 705 G HN 0.753 nan 8.290 nan 0.000 0.503 706 T N -0.713 113.973 114.554 0.220 0.000 3.035 706 T HA 0.114 4.463 4.350 -0.000 0.000 0.268 706 T C 1.591 176.265 174.700 -0.043 0.000 1.109 706 T CA 1.210 63.257 62.100 -0.088 0.000 1.119 706 T CB 0.202 68.940 68.868 -0.217 0.000 0.900 706 T HN 0.695 nan 8.240 nan 0.000 0.503 707 A N 0.959 123.815 122.820 0.059 0.000 2.713 707 A HA 0.344 4.663 4.320 -0.000 0.000 0.296 707 A C 0.231 177.755 177.584 -0.100 0.000 1.255 707 A CA -0.546 51.473 52.037 -0.030 0.000 0.955 707 A CB -0.198 19.059 19.000 0.429 0.000 1.149 707 A HN 0.352 nan 8.150 nan 0.000 0.538 708 D N 1.469 121.842 120.400 -0.045 0.000 2.338 708 D HA 0.026 4.665 4.640 -0.000 0.000 0.255 708 D C 0.373 176.668 176.300 -0.009 0.000 1.237 708 D CA 0.083 54.173 54.000 0.149 0.000 0.883 708 D CB 0.785 41.831 40.800 0.410 0.000 1.087 708 D HN 0.560 nan 8.370 nan 0.000 0.485 709 D N 2.173 122.633 120.400 0.099 0.000 2.333 709 D HA -0.102 4.538 4.640 -0.000 0.000 0.208 709 D C 1.033 177.385 176.300 0.086 0.000 0.984 709 D CA 0.128 54.154 54.000 0.043 0.000 0.873 709 D CB 0.266 41.029 40.800 -0.062 0.000 0.935 709 D HN 0.408 nan 8.370 nan 0.000 0.521 710 N N 0.121 118.957 118.700 0.227 0.000 2.255 710 N HA -0.029 4.711 4.740 -0.000 0.000 0.192 710 N C -0.167 175.329 175.510 -0.022 0.000 1.049 710 N CA 0.323 53.535 53.050 0.269 0.000 0.886 710 N CB 0.653 39.245 38.487 0.174 0.000 1.064 710 N HN -0.172 nan 8.380 nan 0.000 0.457 711 V N 2.247 122.152 119.914 -0.015 0.000 2.304 711 V HA 0.199 4.319 4.120 -0.000 0.000 0.269 711 V C -0.917 175.261 176.094 0.140 0.000 1.036 711 V CA -0.348 61.976 62.300 0.040 0.000 0.840 711 V CB 0.099 31.988 31.823 0.111 0.000 1.036 711 V HN 0.341 nan 8.190 nan 0.000 0.466 712 H N 3.437 122.511 119.070 0.008 0.000 2.815 712 H HA 0.027 4.583 4.556 -0.000 0.000 0.350 712 H C 0.807 175.991 175.328 -0.239 0.000 1.080 712 H CA -0.168 55.800 56.048 -0.133 0.000 1.433 712 H CB 0.767 30.365 29.762 -0.273 0.000 1.432 712 H HN 0.626 nan 8.280 nan 0.000 0.592 713 F N 2.185 121.922 119.950 -0.354 0.000 2.141 713 F HA -0.360 4.167 4.527 -0.000 0.000 0.300 713 F C 2.611 178.129 175.800 -0.470 0.000 1.079 713 F CA 2.030 59.613 58.000 -0.695 0.000 1.264 713 F CB -0.212 38.585 39.000 -0.339 0.000 1.011 713 F HN 0.689 nan 8.300 nan 0.000 0.487 714 Q N 0.149 119.809 119.800 -0.232 0.000 2.142 714 Q HA -0.350 3.989 4.340 -0.000 0.000 0.213 714 Q C 2.120 177.886 176.000 -0.390 0.000 1.004 714 Q CA 2.549 58.169 55.803 -0.303 0.000 0.883 714 Q CB -0.432 28.109 28.738 -0.327 0.000 0.939 714 Q HN 0.624 nan 8.270 nan 0.000 0.413 715 Q N -0.460 119.150 119.800 -0.318 0.000 2.096 715 Q HA -0.128 4.212 4.340 -0.000 0.000 0.204 715 Q C 2.255 178.161 176.000 -0.156 0.000 0.982 715 Q CA 1.750 57.483 55.803 -0.116 0.000 0.850 715 Q CB -0.072 28.683 28.738 0.028 0.000 0.901 715 Q HN 0.346 nan 8.270 nan 0.000 0.422 716 S N 0.565 116.065 115.700 -0.333 0.000 2.414 716 S HA 0.011 4.481 4.470 -0.000 0.000 0.227 716 S C 2.037 176.389 174.600 -0.412 0.000 1.022 716 S CA 0.658 58.661 58.200 -0.329 0.000 0.958 716 S CB -0.058 62.957 63.200 -0.309 0.000 0.797 716 S HN 0.461 nan 8.310 nan 0.000 0.493 717 A N 1.450 123.919 122.820 -0.584 0.000 1.978 717 A HA -0.146 4.174 4.320 -0.000 0.000 0.220 717 A C 2.138 179.617 177.584 -0.175 0.000 1.170 717 A CA 1.184 53.013 52.037 -0.347 0.000 0.636 717 A CB -0.388 18.462 19.000 -0.249 0.000 0.810 717 A HN 0.357 nan 8.150 nan 0.000 0.448 718 Q N -0.425 119.280 119.800 -0.159 0.000 2.096 718 Q HA -0.000 4.340 4.340 -0.000 0.000 0.197 718 Q C 2.170 178.117 176.000 -0.090 0.000 0.964 718 Q CA 1.080 56.844 55.803 -0.064 0.000 0.838 718 Q CB -0.377 28.397 28.738 0.061 0.000 0.906 718 Q HN 0.776 nan 8.270 nan 0.000 0.444 719 I N 1.344 121.835 120.570 -0.131 0.000 2.127 719 I HA -0.316 3.854 4.170 -0.000 0.000 0.241 719 I C 2.606 178.549 176.117 -0.290 0.000 1.075 719 I CA 1.609 62.782 61.300 -0.212 0.000 1.334 719 I CB -0.566 37.316 38.000 -0.197 0.000 1.040 719 I HN 0.195 nan 8.210 nan 0.000 0.405 720 S N 0.989 116.551 115.700 -0.230 0.000 2.370 720 S HA -0.303 4.167 4.470 -0.000 0.000 0.226 720 S C 2.048 176.618 174.600 -0.050 0.000 1.033 720 S CA 1.661 59.764 58.200 -0.161 0.000 1.011 720 S CB -0.514 62.762 63.200 0.128 0.000 0.852 720 S HN 0.394 nan 8.310 nan 0.000 0.457 721 K N 1.714 122.091 120.400 -0.039 0.000 2.063 721 K HA -0.013 4.307 4.320 -0.000 0.000 0.208 721 K C 2.316 178.892 176.600 -0.039 0.000 1.048 721 K CA 1.196 57.475 56.287 -0.012 0.000 0.928 721 K CB -0.738 31.753 32.500 -0.014 0.000 0.713 721 K HN 0.458 nan 8.250 nan 0.000 0.442 722 A N 1.209 123.973 122.820 -0.093 0.000 1.883 722 A HA -0.151 4.169 4.320 -0.000 0.000 0.217 722 A C 2.120 179.629 177.584 -0.126 0.000 1.186 722 A CA 1.541 53.513 52.037 -0.108 0.000 0.624 722 A CB -0.715 18.197 19.000 -0.146 0.000 0.822 722 A HN 0.337 nan 8.150 nan 0.000 0.444 723 L N -0.527 120.563 121.223 -0.220 0.000 2.083 723 L HA -0.157 4.183 4.340 -0.000 0.000 0.209 723 L C 2.513 179.395 176.870 0.020 0.000 1.083 723 L CA 1.008 55.725 54.840 -0.205 0.000 0.752 723 L CB -0.603 41.131 42.059 -0.542 0.000 0.899 723 L HN 0.255 nan 8.230 nan 0.000 0.433 724 V N -0.294 119.670 119.914 0.085 0.000 2.358 724 V HA -0.272 3.848 4.120 -0.000 0.000 0.246 724 V C 2.021 178.153 176.094 0.063 0.000 1.047 724 V CA 1.852 64.228 62.300 0.126 0.000 1.035 724 V CB -0.505 31.394 31.823 0.126 0.000 0.658 724 V HN 0.416 nan 8.190 nan 0.000 0.452 725 D N 0.365 120.783 120.400 0.029 0.000 2.218 725 D HA -0.106 4.534 4.640 -0.000 0.000 0.204 725 D C 1.866 178.177 176.300 0.019 0.000 0.976 725 D CA 1.653 55.664 54.000 0.019 0.000 0.853 725 D CB -0.090 40.714 40.800 0.005 0.000 0.939 725 D HN 0.558 nan 8.370 nan 0.000 0.481 726 V N -3.662 116.262 119.914 0.017 0.000 3.647 726 V HA 0.469 4.589 4.120 -0.000 0.000 0.279 726 V C 1.296 177.416 176.094 0.044 0.000 1.314 726 V CA 0.439 62.754 62.300 0.024 0.000 1.125 726 V CB -0.083 31.750 31.823 0.016 0.000 0.907 726 V HN 0.155 nan 8.190 nan 0.000 0.434 727 G N 0.453 109.288 108.800 0.058 0.000 2.182 727 G HA2 -0.182 3.777 3.960 -0.000 0.000 0.248 727 G HA3 -0.182 3.777 3.960 -0.000 0.000 0.248 727 G C -0.091 174.871 174.900 0.103 0.000 1.042 727 G CA 0.110 45.256 45.100 0.075 0.000 0.775 727 G HN 0.831 nan 8.290 nan 0.000 0.501 728 V N 0.624 120.617 119.914 0.130 0.000 2.432 728 V HA 0.432 4.552 4.120 -0.000 0.000 0.275 728 V C 0.503 176.780 176.094 0.306 0.000 1.043 728 V CA -0.392 62.018 62.300 0.184 0.000 0.925 728 V CB 1.650 33.563 31.823 0.150 0.000 0.985 728 V HN 0.440 nan 8.190 nan 0.000 0.466 729 D N 4.358 124.913 120.400 0.259 0.000 2.304 729 D HA 0.551 5.190 4.640 -0.000 0.000 0.250 729 D C -0.511 176.019 176.300 0.383 0.000 1.107 729 D CA 0.142 54.284 54.000 0.236 0.000 0.885 729 D CB 0.649 41.525 40.800 0.126 0.000 1.192 729 D HN 0.373 nan 8.370 nan 0.000 0.436 730 F N -0.063 119.969 119.950 0.137 0.000 2.745 730 F HA 0.498 5.025 4.527 -0.000 0.000 0.316 730 F C -1.300 174.569 175.800 0.115 0.000 1.155 730 F CA -1.148 56.963 58.000 0.184 0.000 0.937 730 F CB 0.925 40.080 39.000 0.258 0.000 1.361 730 F HN 0.070 nan 8.300 nan 0.000 0.472 731 Q N 1.328 121.218 119.800 0.149 0.000 2.266 731 Q HA 0.783 5.123 4.340 -0.000 0.000 0.261 731 Q C -0.963 175.030 176.000 -0.012 0.000 0.985 731 Q CA -0.933 54.855 55.803 -0.025 0.000 0.873 731 Q CB 2.203 30.947 28.738 0.010 0.000 1.306 731 Q HN 0.990 nan 8.270 nan 0.000 0.447 732 A N 1.911 124.689 122.820 -0.070 0.000 2.498 732 A HA 0.838 5.158 4.320 -0.000 0.000 0.298 732 A C -1.310 176.222 177.584 -0.087 0.000 1.075 732 A CA -0.597 51.438 52.037 -0.003 0.000 0.714 732 A CB 1.937 20.995 19.000 0.097 0.000 1.299 732 A HN 0.638 nan 8.150 nan 0.000 0.407 733 M N 1.683 121.220 119.600 -0.104 0.000 2.255 733 M HA 0.558 5.038 4.480 -0.000 0.000 0.275 733 M C -1.830 174.363 176.300 -0.177 0.000 1.050 733 M CA -0.476 54.620 55.300 -0.340 0.000 0.978 733 M CB 1.080 33.374 32.600 -0.510 0.000 1.761 733 M HN 0.892 nan 8.290 nan 0.000 0.479 734 W N 4.335 125.511 121.300 -0.208 0.000 2.381 734 W HA 0.733 5.393 4.660 -0.000 0.000 0.329 734 W C -1.900 174.391 176.519 -0.379 0.000 1.157 734 W CA -0.726 56.570 57.345 -0.081 0.000 1.240 734 W CB 0.243 29.687 29.460 -0.026 0.000 1.199 734 W HN 0.607 nan 8.180 nan 0.000 0.579 735 Y N 2.548 122.969 120.300 0.200 0.000 2.464 735 Y HA 0.274 4.824 4.550 -0.000 0.000 0.326 735 Y C 0.545 176.545 175.900 0.166 0.000 0.969 735 Y CA -1.074 57.071 58.100 0.074 0.000 1.270 735 Y CB 1.050 39.528 38.460 0.030 0.000 1.103 735 Y HN 0.424 nan 8.280 nan 0.000 0.491 736 T N 4.647 119.361 114.554 0.268 0.000 2.822 736 T HA -0.052 4.297 4.350 -0.000 0.000 0.288 736 T C 0.187 174.954 174.700 0.111 0.000 0.991 736 T CA 0.768 62.969 62.100 0.169 0.000 1.176 736 T CB -0.198 68.713 68.868 0.071 0.000 0.951 736 T HN 0.706 nan 8.240 nan 0.000 0.526 737 D N 0.804 121.248 120.400 0.072 0.000 3.079 737 D HA -0.122 4.517 4.640 -0.000 0.000 0.214 737 D C 0.241 176.659 176.300 0.197 0.000 1.145 737 D CA 1.104 55.085 54.000 -0.032 0.000 0.958 737 D CB -0.424 40.153 40.800 -0.373 0.000 1.117 737 D HN 0.572 nan 8.370 nan 0.000 0.416 738 E N 0.917 121.254 120.200 0.227 0.000 2.277 738 E HA 0.353 4.703 4.350 -0.000 0.000 0.274 738 E C 0.741 177.515 176.600 0.289 0.000 1.022 738 E CA -0.294 56.259 56.400 0.255 0.000 0.853 738 E CB 1.282 31.123 29.700 0.236 0.000 1.086 738 E HN 0.339 nan 8.360 nan 0.000 0.397 739 D N -0.407 120.175 120.400 0.302 0.000 2.541 739 D HA 0.009 4.649 4.640 -0.000 0.000 0.276 739 D C 1.058 177.578 176.300 0.366 0.000 1.190 739 D CA -0.220 53.983 54.000 0.339 0.000 1.095 739 D CB -0.157 40.871 40.800 0.380 0.000 1.173 739 D HN 0.414 nan 8.370 nan 0.000 0.604 740 H N -1.505 117.741 119.070 0.293 0.000 2.456 740 H HA 0.098 4.654 4.556 -0.000 0.000 0.296 740 H C 1.963 177.516 175.328 0.376 0.000 1.079 740 H CA 2.128 58.370 56.048 0.323 0.000 1.322 740 H CB -0.409 29.525 29.762 0.286 0.000 1.388 740 H HN 0.487 nan 8.280 nan 0.000 0.538 741 G N 0.052 108.997 108.800 0.241 0.000 2.464 741 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.217 741 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.217 741 G C 0.686 175.708 174.900 0.203 0.000 1.138 741 G CA 0.386 45.537 45.100 0.085 0.000 0.793 741 G HN 0.533 nan 8.290 nan 0.000 0.539 742 I N 0.174 120.912 120.570 0.280 0.000 5.071 742 I HA -0.318 3.852 4.170 -0.000 0.000 0.126 742 I C 1.452 177.669 176.117 0.168 0.000 1.290 742 I CA 0.132 61.555 61.300 0.205 0.000 2.644 742 I CB -1.054 37.039 38.000 0.155 0.000 2.208 742 I HN 0.257 nan 8.210 nan 0.000 0.322 743 A N 0.994 123.890 122.820 0.127 0.000 2.431 743 A HA 0.316 4.636 4.320 -0.000 0.000 0.239 743 A C 1.071 178.693 177.584 0.063 0.000 1.230 743 A CA 0.069 52.149 52.037 0.071 0.000 0.928 743 A CB 0.298 19.308 19.000 0.016 0.000 1.006 743 A HN 0.428 nan 8.150 nan 0.000 0.520 744 S N 0.447 116.202 115.700 0.091 0.000 2.558 744 S HA 0.057 4.527 4.470 -0.000 0.000 0.291 744 S C 1.509 176.163 174.600 0.089 0.000 1.306 744 S CA 0.496 58.747 58.200 0.085 0.000 1.056 744 S CB 1.161 64.417 63.200 0.093 0.000 0.836 744 S HN 0.549 nan 8.310 nan 0.000 0.504 745 S N 2.401 118.141 115.700 0.067 0.000 2.372 745 S HA -0.212 4.258 4.470 -0.000 0.000 0.227 745 S C 2.272 176.929 174.600 0.096 0.000 1.044 745 S CA 2.266 60.508 58.200 0.070 0.000 1.050 745 S CB -0.772 62.452 63.200 0.040 0.000 0.901 745 S HN 0.972 nan 8.310 nan 0.000 0.447 746 T N -0.726 113.876 114.554 0.079 0.000 2.896 746 T HA 0.249 4.598 4.350 -0.000 0.000 0.263 746 T C 1.915 176.671 174.700 0.094 0.000 1.050 746 T CA 1.159 63.307 62.100 0.080 0.000 1.140 746 T CB -0.699 68.208 68.868 0.065 0.000 0.877 746 T HN 0.418 nan 8.240 nan 0.000 0.457 747 A N 1.291 124.151 122.820 0.068 0.000 1.929 747 A HA -0.013 4.306 4.320 -0.000 0.000 0.216 747 A C 2.176 179.724 177.584 -0.059 0.000 1.176 747 A CA 1.779 53.797 52.037 -0.031 0.000 0.628 747 A CB -1.163 17.782 19.000 -0.092 0.000 0.816 747 A HN 0.745 nan 8.150 nan 0.000 0.444 748 H N -0.014 119.045 119.070 -0.019 0.000 2.319 748 H HA -0.145 4.411 4.556 -0.000 0.000 0.299 748 H C 2.073 177.467 175.328 0.111 0.000 1.092 748 H CA 2.367 58.455 56.048 0.066 0.000 1.302 748 H CB -0.221 29.575 29.762 0.056 0.000 1.373 748 H HN 0.567 nan 8.280 nan 0.000 0.497 749 Q N -0.923 118.847 119.800 -0.051 0.000 2.084 749 Q HA -0.190 4.150 4.340 -0.000 0.000 0.202 749 Q C 2.265 178.242 176.000 -0.038 0.000 0.978 749 Q CA 1.417 57.162 55.803 -0.097 0.000 0.844 749 Q CB -0.228 28.500 28.738 -0.017 0.000 0.898 749 Q HN 0.632 nan 8.270 nan 0.000 0.426 750 H N 0.661 119.704 119.070 -0.045 0.000 2.321 750 H HA -0.092 4.464 4.556 -0.000 0.000 0.300 750 H C 2.071 177.404 175.328 0.007 0.000 1.087 750 H CA 1.425 57.485 56.048 0.020 0.000 1.319 750 H CB -0.050 29.782 29.762 0.118 0.000 1.379 750 H HN 0.271 nan 8.280 nan 0.000 0.501 751 I N 0.132 120.689 120.570 -0.021 0.000 2.179 751 I HA -0.333 3.837 4.170 -0.000 0.000 0.242 751 I C 1.849 177.754 176.117 -0.353 0.000 1.088 751 I CA 1.312 62.506 61.300 -0.176 0.000 1.357 751 I CB -0.270 37.445 38.000 -0.475 0.000 1.051 751 I HN 0.192 nan 8.210 nan 0.000 0.409 752 Y N 0.737 120.827 120.300 -0.349 0.000 2.293 752 Y HA -0.218 4.332 4.550 -0.000 0.000 0.291 752 Y C 2.686 178.357 175.900 -0.381 0.000 1.137 752 Y CA 1.883 59.653 58.100 -0.550 0.000 1.202 752 Y CB -0.535 37.604 38.460 -0.535 0.000 0.990 752 Y HN 0.163 nan 8.280 nan 0.000 0.537 753 T N -1.739 112.729 114.554 -0.145 0.000 2.777 753 T HA -0.230 4.120 4.350 -0.000 0.000 0.266 753 T C 1.491 176.061 174.700 -0.217 0.000 1.040 753 T CA 1.820 63.796 62.100 -0.206 0.000 1.141 753 T CB -0.452 68.303 68.868 -0.188 0.000 0.868 753 T HN 0.407 nan 8.240 nan 0.000 0.444 754 H N 0.933 119.877 119.070 -0.210 0.000 2.321 754 H HA 0.125 4.681 4.556 -0.000 0.000 0.300 754 H C 2.170 177.481 175.328 -0.028 0.000 1.087 754 H CA 1.511 57.514 56.048 -0.076 0.000 1.319 754 H CB -0.256 29.451 29.762 -0.092 0.000 1.379 754 H HN 0.236 nan 8.280 nan 0.000 0.501 755 M N -0.819 118.719 119.600 -0.104 0.000 2.229 755 M HA -0.152 4.328 4.480 -0.000 0.000 0.264 755 M C 2.362 178.759 176.300 0.162 0.000 1.063 755 M CA 1.340 56.579 55.300 -0.101 0.000 1.114 755 M CB 0.055 32.356 32.600 -0.499 0.000 1.387 755 M HN 0.209 nan 8.290 nan 0.000 0.420 756 S N -0.486 115.309 115.700 0.159 0.000 2.356 756 S HA -0.170 4.300 4.470 -0.000 0.000 0.223 756 S C 1.568 176.238 174.600 0.116 0.000 1.032 756 S CA 1.327 59.701 58.200 0.291 0.000 1.005 756 S CB -0.601 62.743 63.200 0.240 0.000 0.867 756 S HN 0.567 nan 8.310 nan 0.000 0.449 757 H N -0.673 118.447 119.070 0.084 0.000 2.387 757 H HA -0.047 4.509 4.556 -0.000 0.000 0.299 757 H C 1.900 177.227 175.328 -0.002 0.000 1.090 757 H CA 1.574 57.630 56.048 0.012 0.000 1.332 757 H CB -0.169 29.554 29.762 -0.065 0.000 1.386 757 H HN 0.380 nan 8.280 nan 0.000 0.516 758 F N 0.910 120.838 119.950 -0.037 0.000 2.113 758 F HA -0.172 4.355 4.527 -0.000 0.000 0.297 758 F C 1.975 177.717 175.800 -0.096 0.000 1.103 758 F CA 0.938 58.887 58.000 -0.086 0.000 1.248 758 F CB -0.095 38.830 39.000 -0.125 0.000 0.999 758 F HN 0.036 nan 8.300 nan 0.000 0.475 759 I N 0.501 121.046 120.570 -0.043 0.000 2.315 759 I HA -0.236 3.934 4.170 -0.000 0.000 0.248 759 I C 2.212 178.098 176.117 -0.385 0.000 1.117 759 I CA 1.364 62.460 61.300 -0.339 0.000 1.404 759 I CB -1.277 36.609 38.000 -0.190 0.000 1.071 759 I HN 0.196 nan 8.210 nan 0.000 0.419 760 K N 0.337 120.671 120.400 -0.109 0.000 2.057 760 K HA -0.229 4.090 4.320 -0.000 0.000 0.206 760 K C 2.142 178.724 176.600 -0.031 0.000 1.050 760 K CA 1.286 57.569 56.287 -0.006 0.000 0.935 760 K CB -0.133 32.417 32.500 0.084 0.000 0.715 760 K HN 0.151 nan 8.250 nan 0.000 0.439 761 Q N 0.522 120.269 119.800 -0.088 0.000 2.061 761 Q HA -0.217 4.123 4.340 -0.000 0.000 0.204 761 Q C 2.219 178.126 176.000 -0.154 0.000 0.984 761 Q CA 1.937 57.674 55.803 -0.110 0.000 0.846 761 Q CB -0.407 28.244 28.738 -0.144 0.000 0.902 761 Q HN 0.447 nan 8.270 nan 0.000 0.421 762 c N -0.545 117.858 118.600 -0.329 0.000 2.422 762 c HA -0.078 4.492 4.570 -0.000 0.000 0.279 762 c C 1.713 175.814 174.090 0.019 0.000 1.305 762 c CA 0.510 56.658 56.329 -0.301 0.000 1.757 762 c CB -1.136 41.013 42.510 -0.602 0.000 1.962 762 c HN 0.584 nan 8.230 nan 0.000 0.499 763 F N 1.450 121.359 119.950 -0.067 0.000 2.693 763 F HA 0.267 4.794 4.527 0.000 0.000 0.303 763 F C 1.592 177.378 175.800 -0.024 0.000 1.097 763 F CA 0.252 58.235 58.000 -0.029 0.000 1.330 763 F CB -1.149 37.843 39.000 -0.014 0.000 1.067 763 F HN 0.184 nan 8.300 nan 0.000 0.565 764 S N 0.986 116.769 115.700 0.137 0.000 3.682 764 S HA -0.203 4.266 4.470 -0.000 0.000 0.354 764 S C -0.056 174.590 174.600 0.077 0.000 1.034 764 S CA 0.112 58.357 58.200 0.075 0.000 1.084 764 S CB -2.120 61.113 63.200 0.055 0.000 0.903 764 S HN 0.238 nan 8.310 nan 0.000 0.470 765 L N 1.139 122.418 121.223 0.094 0.000 2.282 765 L HA 0.488 4.828 4.340 -0.000 0.000 0.288 765 L C -1.587 175.326 176.870 0.071 0.000 1.033 765 L CA -2.019 52.873 54.840 0.087 0.000 0.807 765 L CB 0.695 42.823 42.059 0.115 0.000 1.209 765 L HN 0.028 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 63.135 63.100 0.058 0.000 0.800 766 P CB 0.000 31.726 31.700 0.043 0.000 0.726