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 3ccb_1_C DATA FIRST_RESID 41 DATA SEQUENCE KTYTLTDYLK NTYRLKLYSL RWISDHEYLY KQXXNILVFN AEYGNSSVFL 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 0.000 176.669 176.600 0.115 0.000 0.988 41 K CA 0.000 56.350 56.287 0.105 0.000 0.838 41 K CB 0.000 32.569 32.500 0.114 0.000 1.064 42 T N -2.085 112.546 114.554 0.129 0.000 2.948 42 T HA 0.331 4.677 4.350 -0.007 0.000 0.285 42 T C -0.721 174.105 174.700 0.211 0.000 1.019 42 T CA -0.735 61.453 62.100 0.147 0.000 1.013 42 T CB 0.767 69.717 68.868 0.137 0.000 1.117 42 T HN 0.520 nan 8.240 nan 0.000 0.533 43 Y N 2.713 123.073 120.300 0.101 0.000 2.624 43 Y HA 0.347 4.893 4.550 -0.006 0.000 0.354 43 Y C 1.023 177.081 175.900 0.264 0.000 1.051 43 Y CA -0.367 57.832 58.100 0.165 0.000 1.377 43 Y CB -0.371 38.136 38.460 0.079 0.000 1.168 43 Y HN 0.996 nan 8.280 nan 0.000 0.525 44 T N 2.179 116.760 114.554 0.045 0.000 2.770 44 T HA 0.088 4.434 4.350 -0.007 0.000 0.281 44 T C 0.986 175.629 174.700 -0.095 0.000 0.981 44 T CA -0.661 61.509 62.100 0.115 0.000 0.955 44 T CB 1.050 69.939 68.868 0.034 0.000 1.060 44 T HN 0.660 nan 8.240 nan 0.000 0.531 45 L N 0.776 121.758 121.223 -0.402 0.000 2.056 45 L HA 0.040 4.376 4.340 -0.007 0.000 0.207 45 L C 2.617 179.348 176.870 -0.232 0.000 1.078 45 L CA 2.089 56.551 54.840 -0.629 0.000 0.749 45 L CB -1.552 39.974 42.059 -0.888 0.000 0.901 45 L HN 0.958 nan 8.230 nan 0.000 0.433 46 T N -0.791 113.650 114.554 -0.189 0.000 2.788 46 T HA -0.159 4.187 4.350 -0.007 0.000 0.268 46 T C 1.505 176.116 174.700 -0.150 0.000 1.044 46 T CA 1.364 63.382 62.100 -0.136 0.000 1.139 46 T CB -0.437 68.372 68.868 -0.098 0.000 0.867 46 T HN 0.352 nan 8.240 nan 0.000 0.454 47 D N 0.350 120.629 120.400 -0.201 0.000 2.116 47 D HA -0.112 4.524 4.640 -0.007 0.000 0.193 47 D C 1.758 177.951 176.300 -0.178 0.000 0.998 47 D CA 1.159 55.000 54.000 -0.266 0.000 0.836 47 D CB -0.480 40.041 40.800 -0.466 0.000 0.951 47 D HN 0.438 nan 8.370 nan 0.000 0.449 48 Y N 1.330 121.453 120.300 -0.294 0.000 2.145 48 Y HA -0.105 4.441 4.550 -0.007 0.000 0.286 48 Y C 2.145 178.059 175.900 0.022 0.000 1.145 48 Y CA 1.252 59.358 58.100 0.009 0.000 1.148 48 Y CB -0.555 37.993 38.460 0.147 0.000 0.981 48 Y HN -0.071 nan 8.280 nan 0.000 0.507 49 L N -0.341 120.712 121.223 -0.283 0.000 2.156 49 L HA -0.106 4.230 4.340 -0.007 0.000 0.208 49 L C 1.827 178.590 176.870 -0.179 0.000 1.095 49 L CA 1.214 55.859 54.840 -0.326 0.000 0.770 49 L CB -0.338 41.599 42.059 -0.203 0.000 0.914 49 L HN -0.009 nan 8.230 nan 0.000 0.439 50 K N 0.054 120.373 120.400 -0.135 0.000 2.374 50 K HA 0.121 4.437 4.320 -0.007 0.000 0.196 50 K C 0.039 176.588 176.600 -0.085 0.000 1.023 50 K CA -0.012 56.216 56.287 -0.099 0.000 1.103 50 K CB -0.142 32.300 32.500 -0.096 0.000 0.848 50 K HN 0.161 nan 8.250 nan 0.000 0.528 51 N N -0.114 118.544 118.700 -0.070 0.000 2.758 51 N HA -0.219 4.517 4.740 -0.007 0.000 0.248 51 N C -0.078 175.409 175.510 -0.039 0.000 1.076 51 N CA 0.439 53.482 53.050 -0.010 0.000 0.696 51 N CB -0.890 37.590 38.487 -0.012 0.000 0.979 51 N HN 0.147 nan 8.380 nan 0.000 0.550 52 T N -0.833 113.648 114.554 -0.123 0.000 2.684 52 T HA -0.195 4.151 4.350 -0.007 0.000 0.267 52 T C 0.414 174.893 174.700 -0.368 0.000 1.036 52 T CA 1.424 63.327 62.100 -0.328 0.000 1.148 52 T CB -0.127 68.411 68.868 -0.550 0.000 0.863 52 T HN 0.333 nan 8.240 nan 0.000 0.436 53 Y N 1.690 122.063 120.300 0.123 0.000 2.593 53 Y HA 0.504 5.050 4.550 -0.007 0.000 0.331 53 Y C 0.399 176.405 175.900 0.176 0.000 0.986 53 Y CA -1.015 57.188 58.100 0.172 0.000 1.262 53 Y CB 0.324 38.945 38.460 0.270 0.000 1.098 53 Y HN -0.137 nan 8.280 nan 0.000 0.506 54 R N 2.746 123.380 120.500 0.223 0.000 2.349 54 R HA 0.496 4.832 4.340 -0.007 0.000 0.299 54 R C -0.785 175.620 176.300 0.176 0.000 1.027 54 R CA -0.617 55.584 56.100 0.168 0.000 0.958 54 R CB 0.984 31.339 30.300 0.092 0.000 1.047 54 R HN 0.605 nan 8.270 nan 0.000 0.468 55 L N 3.929 125.258 121.223 0.176 0.000 2.319 55 L HA 0.242 4.577 4.340 -0.007 0.000 0.280 55 L C 0.182 177.125 176.870 0.121 0.000 1.099 55 L CA -0.082 54.861 54.840 0.171 0.000 0.828 55 L CB 0.699 42.880 42.059 0.205 0.000 1.150 55 L HN 0.400 nan 8.230 nan 0.000 0.442 56 K N 4.363 124.827 120.400 0.107 0.000 2.172 56 K HA 0.550 4.866 4.320 -0.007 0.000 0.276 56 K C -0.864 175.750 176.600 0.024 0.000 1.013 56 K CA -0.680 55.642 56.287 0.058 0.000 0.913 56 K CB 1.338 33.872 32.500 0.056 0.000 1.055 56 K HN 0.244 nan 8.250 nan 0.000 0.461 57 L N 1.417 122.587 121.223 -0.087 0.000 2.347 57 L HA 0.436 4.772 4.340 -0.007 0.000 0.268 57 L C -0.644 175.925 176.870 -0.502 0.000 1.019 57 L CA -0.834 53.791 54.840 -0.358 0.000 0.806 57 L CB 0.195 42.173 42.059 -0.135 0.000 1.339 57 L HN 0.451 nan 8.230 nan 0.000 0.463 58 Y N 0.149 119.829 120.300 -1.034 0.000 2.628 58 Y HA 0.429 4.975 4.550 -0.006 0.000 0.354 58 Y C -0.122 175.619 175.900 -0.266 0.000 1.061 58 Y CA -0.448 57.337 58.100 -0.525 0.000 1.251 58 Y CB 1.274 39.342 38.460 -0.654 0.000 1.098 58 Y HN 0.560 nan 8.280 nan 0.000 0.626 59 S N 5.232 120.881 115.700 -0.085 0.000 2.505 59 S HA 0.639 5.105 4.470 -0.007 0.000 0.276 59 S C -0.772 173.836 174.600 0.014 0.000 1.274 59 S CA -0.377 57.814 58.200 -0.015 0.000 1.053 59 S CB -0.301 62.880 63.200 -0.032 0.000 0.919 59 S HN 0.596 nan 8.310 nan 0.000 0.490 60 L N 3.519 124.725 121.223 -0.029 0.000 2.393 60 L HA 0.782 5.118 4.340 -0.007 0.000 0.260 60 L C -0.815 176.001 176.870 -0.090 0.000 1.002 60 L CA -0.825 53.952 54.840 -0.106 0.000 0.818 60 L CB 1.799 43.528 42.059 -0.550 0.000 1.369 60 L HN 0.467 nan 8.230 nan 0.000 0.412 61 R N 1.625 122.124 120.500 -0.001 0.000 2.422 61 R HA 0.301 4.637 4.340 -0.007 0.000 0.307 61 R C -1.707 174.676 176.300 0.138 0.000 1.004 61 R CA -0.300 55.851 56.100 0.084 0.000 0.882 61 R CB 1.050 31.435 30.300 0.142 0.000 1.164 61 R HN 0.768 nan 8.270 nan 0.000 0.489 62 W N 3.376 124.809 121.300 0.222 0.000 2.397 62 W HA 0.017 4.673 4.660 -0.007 0.000 0.327 62 W C 1.297 177.933 176.519 0.194 0.000 1.421 62 W CA -0.188 57.296 57.345 0.232 0.000 1.288 62 W CB 0.339 29.920 29.460 0.200 0.000 1.312 62 W HN 0.569 nan 8.180 nan 0.000 0.559 63 I N 2.868 123.705 120.570 0.445 0.000 4.035 63 I HA 0.015 4.181 4.170 -0.007 0.000 0.321 63 I C 0.965 177.229 176.117 0.245 0.000 1.289 63 I CA 0.641 62.107 61.300 0.276 0.000 1.236 63 I CB -0.149 37.956 38.000 0.176 0.000 1.076 63 I HN 0.334 nan 8.210 nan 0.000 0.418 64 S N -2.274 113.616 115.700 0.318 0.000 2.873 64 S HA 0.276 4.742 4.470 -0.007 0.000 0.303 64 S C 0.278 174.984 174.600 0.176 0.000 1.222 64 S CA -0.288 58.050 58.200 0.230 0.000 0.923 64 S CB 0.570 63.917 63.200 0.245 0.000 1.286 64 S HN -0.068 nan 8.310 nan 0.000 0.571 65 D N -0.740 119.657 120.400 -0.005 0.000 2.348 65 D HA 0.194 4.830 4.640 -0.007 0.000 0.211 65 D C 0.989 177.120 176.300 -0.281 0.000 0.998 65 D CA 0.874 54.706 54.000 -0.280 0.000 0.873 65 D CB -0.006 40.519 40.800 -0.458 0.000 0.925 65 D HN 0.596 nan 8.370 nan 0.000 0.524 66 H N -1.335 117.921 119.070 0.310 0.000 3.241 66 H HA 0.372 4.924 4.556 -0.007 0.000 0.260 66 H C -0.069 175.467 175.328 0.347 0.000 1.084 66 H CA -0.004 56.254 56.048 0.350 0.000 1.203 66 H CB 1.190 31.105 29.762 0.255 0.000 1.524 66 H HN 0.109 nan 8.280 nan 0.000 0.521 67 E N 0.810 121.335 120.200 0.541 0.000 2.367 67 E HA 0.401 4.747 4.350 -0.007 0.000 0.273 67 E C -1.478 175.369 176.600 0.412 0.000 0.903 67 E CA -0.987 55.618 56.400 0.342 0.000 0.764 67 E CB 2.993 32.792 29.700 0.166 0.000 1.252 67 E HN 0.152 nan 8.360 nan 0.000 0.446 68 Y N -0.579 119.767 120.300 0.075 0.000 2.588 68 Y HA 0.657 5.203 4.550 -0.007 0.000 0.343 68 Y C -1.686 174.249 175.900 0.058 0.000 1.065 68 Y CA -1.377 56.669 58.100 -0.089 0.000 1.038 68 Y CB 0.760 38.818 38.460 -0.671 0.000 1.297 68 Y HN 0.353 nan 8.280 nan 0.000 0.467 69 L N 2.895 124.310 121.223 0.319 0.000 2.360 69 L HA 0.545 4.881 4.340 -0.007 0.000 0.271 69 L C -1.094 176.058 176.870 0.469 0.000 1.057 69 L CA -0.940 54.107 54.840 0.345 0.000 0.803 69 L CB 1.434 43.693 42.059 0.333 0.000 1.207 69 L HN 0.794 nan 8.230 nan 0.000 0.445 70 Y N 1.351 121.813 120.300 0.269 0.000 2.571 70 Y HA 0.351 4.897 4.550 -0.006 0.000 0.341 70 Y C -0.972 174.985 175.900 0.094 0.000 1.076 70 Y CA -1.321 56.842 58.100 0.105 0.000 1.029 70 Y CB 1.707 40.135 38.460 -0.054 0.000 1.308 70 Y HN 0.406 nan 8.280 nan 0.000 0.461 71 K N 4.293 124.157 120.400 -0.893 0.000 2.264 71 K HA 0.318 4.633 4.320 -0.007 0.000 0.277 71 K C -0.776 175.359 176.600 -0.774 0.000 1.067 71 K CA -0.447 55.462 56.287 -0.630 0.000 0.900 71 K CB 0.995 33.235 32.500 -0.434 0.000 1.124 71 K HN 0.752 nan 8.250 nan 0.000 0.469 76 I N 2.490 123.028 120.570 -0.053 0.000 2.354 76 I HA 0.408 4.574 4.170 -0.007 0.000 0.286 76 I C -0.914 175.267 176.117 0.106 0.000 1.007 76 I CA -0.579 60.721 61.300 0.000 0.000 1.167 76 I CB 0.703 38.642 38.000 -0.101 0.000 1.320 76 I HN 0.243 nan 8.210 nan 0.000 0.458 77 L N 7.106 128.426 121.223 0.162 0.000 2.331 77 L HA 0.519 4.855 4.340 -0.007 0.000 0.275 77 L C -0.144 176.819 176.870 0.155 0.000 1.022 77 L CA -0.714 54.199 54.840 0.122 0.000 0.812 77 L CB 1.735 43.821 42.059 0.044 0.000 1.257 77 L HN 0.186 nan 8.230 nan 0.000 0.435 78 V N 2.579 122.485 119.914 -0.014 0.000 2.383 78 V HA 0.387 4.503 4.120 -0.007 0.000 0.275 78 V C -0.251 175.711 176.094 -0.220 0.000 1.036 78 V CA -0.397 61.858 62.300 -0.075 0.000 0.889 78 V CB 0.668 32.386 31.823 -0.175 0.000 0.985 78 V HN 0.362 nan 8.190 nan 0.000 0.459 79 F N 2.802 122.495 119.950 -0.429 0.000 2.432 79 F HA 0.437 4.960 4.527 -0.007 0.000 0.329 79 F C 0.555 176.089 175.800 -0.444 0.000 1.076 79 F CA -0.592 57.097 58.000 -0.518 0.000 1.018 79 F CB 1.339 39.790 39.000 -0.915 0.000 1.201 79 F HN 0.431 nan 8.300 nan 0.000 0.489 80 N N 0.405 119.055 118.700 -0.083 0.000 2.408 80 N HA 0.490 5.226 4.740 -0.007 0.000 0.280 80 N C 0.253 175.749 175.510 -0.023 0.000 1.002 80 N CA -0.185 52.854 53.050 -0.018 0.000 0.907 80 N CB 1.506 40.026 38.487 0.056 0.000 1.161 80 N HN 0.730 nan 8.380 nan 0.000 0.488 81 A N 2.901 125.663 122.820 -0.097 0.000 1.968 81 A HA -0.075 4.241 4.320 -0.007 0.000 0.217 81 A C 1.791 179.144 177.584 -0.384 0.000 1.169 81 A CA 0.928 52.768 52.037 -0.329 0.000 0.638 81 A CB -0.217 18.296 19.000 -0.812 0.000 0.812 81 A HN 0.768 nan 8.150 nan 0.000 0.446 82 E N -0.918 119.151 120.200 -0.219 0.000 2.049 82 E HA -0.222 4.123 4.350 -0.007 0.000 0.198 82 E C 1.449 177.802 176.600 -0.412 0.000 1.007 82 E CA 1.960 58.239 56.400 -0.202 0.000 0.809 82 E CB -0.275 29.370 29.700 -0.092 0.000 0.749 82 E HN 0.854 nan 8.360 nan 0.000 0.450 83 Y N -2.421 117.877 120.300 -0.004 0.000 2.817 83 Y HA 0.314 4.860 4.550 -0.006 0.000 0.257 83 Y C 1.791 177.688 175.900 -0.006 0.000 1.055 83 Y CA 0.404 58.503 58.100 -0.002 0.000 1.319 83 Y CB 0.720 39.176 38.460 -0.007 0.000 1.481 83 Y HN 0.179 nan 8.280 nan 0.000 0.471 84 G N -0.015 108.885 108.800 0.167 0.000 2.425 84 G HA2 -0.200 3.756 3.960 -0.007 0.000 0.177 84 G HA3 -0.200 3.756 3.960 -0.007 0.000 0.177 84 G C -0.567 174.368 174.900 0.059 0.000 0.999 84 G CA -0.293 44.880 45.100 0.123 0.000 0.723 84 G HN 0.331 nan 8.290 nan 0.000 0.491 85 N N 1.461 120.168 118.700 0.013 0.000 2.454 85 N HA 0.409 5.145 4.740 -0.007 0.000 0.254 85 N C -0.093 175.284 175.510 -0.222 0.000 1.228 85 N CA 0.961 53.956 53.050 -0.091 0.000 0.900 85 N CB 1.263 39.697 38.487 -0.089 0.000 1.089 85 N HN 0.794 nan 8.380 nan 0.000 0.449 86 S N -0.284 115.214 115.700 -0.337 0.000 2.557 86 S HA 0.604 5.070 4.470 -0.007 0.000 0.291 86 S C -0.579 173.827 174.600 -0.323 0.000 1.116 86 S CA -0.960 56.919 58.200 -0.535 0.000 0.992 86 S CB 1.076 63.567 63.200 -1.181 0.000 1.028 86 S HN 0.740 nan 8.310 nan 0.000 0.484 87 S N 1.479 117.029 115.700 -0.249 0.000 2.537 87 S HA 0.709 5.175 4.470 -0.007 0.000 0.301 87 S C -0.203 174.345 174.600 -0.086 0.000 1.092 87 S CA -0.881 57.236 58.200 -0.138 0.000 1.048 87 S CB 1.144 64.291 63.200 -0.088 0.000 1.053 87 S HN 0.720 nan 8.310 nan 0.000 0.501 88 V N 2.879 122.770 119.914 -0.039 0.000 2.637 88 V HA 0.166 4.282 4.120 -0.007 0.000 0.296 88 V C 0.292 176.458 176.094 0.120 0.000 1.046 88 V CA 0.270 62.575 62.300 0.010 0.000 1.066 88 V CB 0.329 32.137 31.823 -0.024 0.000 0.968 88 V HN 1.016 nan 8.190 nan 0.000 0.483 89 F N 4.002 123.916 119.950 -0.060 0.000 2.557 89 F HA 0.396 4.920 4.527 -0.006 0.000 0.278 89 F C 0.359 176.128 175.800 -0.052 0.000 1.051 89 F CA 0.031 58.006 58.000 -0.041 0.000 1.357 89 F CB 0.763 39.757 39.000 -0.010 0.000 1.104 89 F HN 0.231 nan 8.300 nan 0.000 0.654 90 L N 2.037 123.190 121.223 -0.116 0.000 2.404 90 L HA 0.318 4.654 4.340 -0.007 0.000 0.272 90 L C -0.301 176.460 176.870 -0.181 0.000 0.980 90 L CA -0.280 54.417 54.840 -0.237 0.000 0.836 90 L CB 1.189 43.112 42.059 -0.226 0.000 1.238 90 L HN 0.125 nan 8.230 nan 0.000 0.408 91 E N 1.390 121.451 120.200 -0.231 0.000 2.371 91 E HA 0.053 4.399 4.350 -0.007 0.000 0.257 91 E C 0.588 177.069 176.600 -0.199 0.000 1.134 91 E CA -0.345 55.942 56.400 -0.188 0.000 0.919 91 E CB 1.377 30.966 29.700 -0.185 0.000 1.025 91 E HN 0.668 nan 8.360 nan 0.000 0.438 92 N N 0.612 119.228 118.700 -0.140 0.000 1.997 92 N HA -0.229 4.507 4.740 -0.007 0.000 0.198 92 N C 1.033 176.467 175.510 -0.127 0.000 1.063 92 N CA 1.927 54.911 53.050 -0.109 0.000 0.860 92 N CB -0.777 37.662 38.487 -0.081 0.000 1.063 92 N HN 0.282 nan 8.380 nan 0.000 0.424 93 S N -1.809 113.811 115.700 -0.134 0.000 2.994 93 S HA 0.248 4.713 4.470 -0.007 0.000 0.247 93 S C 0.471 174.941 174.600 -0.217 0.000 1.323 93 S CA -0.582 57.539 58.200 -0.132 0.000 1.246 93 S CB -0.742 62.406 63.200 -0.088 0.000 0.994 93 S HN 0.353 nan 8.310 nan 0.000 0.484 94 T N 0.845 115.158 114.554 -0.401 0.000 2.978 94 T HA 0.141 4.487 4.350 -0.007 0.000 0.262 94 T C 0.121 174.414 174.700 -0.678 0.000 1.063 94 T CA 0.714 62.434 62.100 -0.633 0.000 1.140 94 T CB -0.347 67.903 68.868 -1.030 0.000 0.886 94 T HN 0.629 nan 8.240 nan 0.000 0.470 95 F N 1.651 121.486 119.950 -0.192 0.000 2.986 95 F HA 0.382 4.905 4.527 -0.007 0.000 0.297 95 F C 1.193 176.945 175.800 -0.081 0.000 1.210 95 F CA -1.504 56.390 58.000 -0.177 0.000 1.346 95 F CB -0.454 38.278 39.000 -0.448 0.000 1.007 95 F HN 0.016 nan 8.300 nan 0.000 0.512 96 D N 1.211 121.627 120.400 0.026 0.000 2.085 96 D HA -0.126 4.510 4.640 -0.007 0.000 0.199 96 D C 0.600 176.936 176.300 0.059 0.000 0.981 96 D CA 1.192 55.204 54.000 0.020 0.000 0.834 96 D CB 0.130 40.913 40.800 -0.028 0.000 0.992 96 D HN 0.346 nan 8.370 nan 0.000 0.457 97 E N -0.481 119.753 120.200 0.056 0.000 1.972 97 E HA 0.138 4.484 4.350 -0.007 0.000 0.292 97 E C -0.406 176.254 176.600 0.101 0.000 1.193 97 E CA -0.275 56.151 56.400 0.045 0.000 1.228 97 E CB 0.153 29.860 29.700 0.011 0.000 1.167 97 E HN 0.365 nan 8.360 nan 0.000 0.479 98 F N -0.148 119.761 119.950 -0.069 0.000 2.421 98 F HA 0.299 4.822 4.527 -0.007 0.000 0.270 98 F C 1.693 177.338 175.800 -0.259 0.000 0.894 98 F CA 0.944 58.886 58.000 -0.097 0.000 1.128 98 F CB 0.875 39.848 39.000 -0.044 0.000 1.011 98 F HN 0.401 nan 8.300 nan 0.000 0.788 99 G N 0.010 108.777 108.800 -0.055 0.000 2.194 99 G HA2 -0.164 3.792 3.960 -0.007 0.000 0.236 99 G HA3 -0.164 3.792 3.960 -0.007 0.000 0.236 99 G C 0.033 174.712 174.900 -0.369 0.000 0.987 99 G CA 0.229 45.142 45.100 -0.311 0.000 0.635 99 G HN 0.513 nan 8.290 nan 0.000 0.520 100 H N -0.099 119.118 119.070 0.246 0.000 2.797 100 H HA 0.708 5.260 4.556 -0.007 0.000 0.362 100 H C -0.649 174.709 175.328 0.050 0.000 1.183 100 H CA -0.171 55.970 56.048 0.155 0.000 1.197 100 H CB 1.548 31.364 29.762 0.090 0.000 1.835 100 H HN 0.099 nan 8.280 nan 0.000 0.567 101 S N 1.631 117.432 115.700 0.168 0.000 2.457 101 S HA 0.249 4.715 4.470 -0.007 0.000 0.289 101 S C 0.396 174.986 174.600 -0.017 0.000 1.163 101 S CA -0.706 57.514 58.200 0.034 0.000 1.078 101 S CB 0.083 63.309 63.200 0.044 0.000 0.987 101 S HN 0.256 nan 8.310 nan 0.000 0.482 102 I N 4.325 124.803 120.570 -0.153 0.000 2.308 102 I HA 0.129 4.295 4.170 -0.007 0.000 0.293 102 I C 1.380 177.434 176.117 -0.105 0.000 1.078 102 I CA -0.109 61.072 61.300 -0.197 0.000 1.292 102 I CB -0.090 37.669 38.000 -0.402 0.000 1.423 102 I HN 0.641 nan 8.210 nan 0.000 0.493 103 N N 4.553 123.214 118.700 -0.064 0.000 2.142 103 N HA -0.113 4.623 4.740 -0.007 0.000 0.186 103 N C 0.246 175.702 175.510 -0.090 0.000 1.023 103 N CA 1.489 54.475 53.050 -0.106 0.000 0.852 103 N CB 0.391 38.793 38.487 -0.142 0.000 0.998 103 N HN 0.703 nan 8.380 nan 0.000 0.424 104 D N -3.225 117.160 120.400 -0.025 0.000 2.692 104 D HA 0.213 4.849 4.640 -0.007 0.000 0.290 104 D C -1.702 174.684 176.300 0.144 0.000 1.281 104 D CA -0.559 53.467 54.000 0.044 0.000 0.804 104 D CB 0.559 41.349 40.800 -0.017 0.000 1.331 104 D HN 0.069 nan 8.370 nan 0.000 0.432 105 Y N -1.381 118.935 120.300 0.027 0.000 2.615 105 Y HA 0.774 5.320 4.550 -0.007 0.000 0.341 105 Y C -1.192 174.801 175.900 0.156 0.000 1.089 105 Y CA -1.078 57.064 58.100 0.071 0.000 1.049 105 Y CB 1.751 40.227 38.460 0.026 0.000 1.296 105 Y HN 0.150 nan 8.280 nan 0.000 0.470 106 S N 2.957 118.807 115.700 0.251 0.000 2.673 106 S HA 0.519 4.985 4.470 -0.007 0.000 0.256 106 S C -1.356 173.571 174.600 0.545 0.000 1.141 106 S CA -0.681 57.680 58.200 0.269 0.000 1.109 106 S CB -0.099 63.256 63.200 0.257 0.000 1.101 106 S HN 0.625 nan 8.310 nan 0.000 0.471 107 I N 4.583 125.416 120.570 0.439 0.000 2.648 107 I HA 0.142 4.308 4.170 -0.007 0.000 0.284 107 I C 1.364 177.489 176.117 0.014 0.000 1.153 107 I CA 0.033 61.535 61.300 0.338 0.000 1.426 107 I CB 0.711 38.929 38.000 0.364 0.000 1.381 107 I HN 0.800 nan 8.210 nan 0.000 0.571 108 S N 6.973 122.405 115.700 -0.447 0.000 2.573 108 S HA 0.141 4.607 4.470 -0.007 0.000 0.277 108 S C -1.702 172.634 174.600 -0.440 0.000 1.346 108 S CA -0.860 56.605 58.200 -1.225 0.000 1.034 108 S CB 0.730 63.059 63.200 -1.452 0.000 0.879 108 S HN 0.429 nan 8.310 nan 0.000 0.528 109 P HA -0.160 nan 4.420 nan 0.000 0.215 109 P C 0.880 178.144 177.300 -0.060 0.000 1.157 109 P CA 1.709 64.746 63.100 -0.106 0.000 0.874 109 P CB -0.186 31.465 31.700 -0.082 0.000 0.790 110 D N -1.652 118.705 120.400 -0.071 0.000 2.363 110 D HA 0.048 4.684 4.640 -0.007 0.000 0.226 110 D C 1.222 177.517 176.300 -0.007 0.000 1.020 110 D CA 0.660 54.655 54.000 -0.007 0.000 0.892 110 D CB -1.318 39.512 40.800 0.050 0.000 0.900 110 D HN 0.217 nan 8.370 nan 0.000 0.531 111 G N 0.983 109.767 108.800 -0.027 0.000 2.225 111 G HA2 -0.374 3.582 3.960 -0.007 0.000 0.267 111 G HA3 -0.374 3.582 3.960 -0.007 0.000 0.267 111 G C 0.727 175.650 174.900 0.038 0.000 1.024 111 G CA 0.794 45.917 45.100 0.038 0.000 0.784 111 G HN 0.619 nan 8.290 nan 0.000 0.507 112 Q N -1.802 117.951 119.800 -0.078 0.000 2.316 112 Q HA 0.492 4.828 4.340 -0.007 0.000 0.235 112 Q C 0.267 175.946 176.000 -0.535 0.000 0.863 112 Q CA -0.012 55.624 55.803 -0.280 0.000 0.939 112 Q CB 0.661 29.177 28.738 -0.369 0.000 1.108 112 Q HN 0.448 nan 8.270 nan 0.000 0.522 113 F N 1.316 121.194 119.950 -0.121 0.000 2.520 113 F HA 0.538 5.061 4.527 -0.007 0.000 0.322 113 F C -0.621 175.261 175.800 0.137 0.000 1.103 113 F CA -1.278 56.715 58.000 -0.012 0.000 0.926 113 F CB 2.276 41.266 39.000 -0.017 0.000 1.154 113 F HN -0.032 nan 8.300 nan 0.000 0.453 114 I N 4.543 125.406 120.570 0.488 0.000 2.433 114 I HA 0.483 4.649 4.170 -0.007 0.000 0.292 114 I C -1.634 174.827 176.117 0.573 0.000 1.001 114 I CA -1.019 60.592 61.300 0.518 0.000 1.119 114 I CB 1.313 39.560 38.000 0.412 0.000 1.289 114 I HN 0.513 nan 8.210 nan 0.000 0.438 115 L N 8.280 129.855 121.223 0.587 0.000 2.289 115 L HA 0.532 4.868 4.340 -0.007 0.000 0.285 115 L C -1.275 175.789 176.870 0.324 0.000 1.049 115 L CA -0.104 54.980 54.840 0.407 0.000 0.804 115 L CB 1.259 43.462 42.059 0.241 0.000 1.195 115 L HN 0.508 nan 8.230 nan 0.000 0.428 116 L N 4.722 126.112 121.223 0.279 0.000 2.333 116 L HA 0.511 4.847 4.340 -0.007 0.000 0.280 116 L C -0.325 176.691 176.870 0.244 0.000 1.004 116 L CA -0.482 54.457 54.840 0.166 0.000 0.820 116 L CB 1.740 43.764 42.059 -0.058 0.000 1.247 116 L HN 0.595 nan 8.230 nan 0.000 0.416 117 E N 3.790 124.073 120.200 0.137 0.000 2.134 117 E HA 0.414 4.760 4.350 -0.007 0.000 0.278 117 E C -1.666 174.937 176.600 0.005 0.000 0.959 117 E CA -0.507 55.849 56.400 -0.072 0.000 0.783 117 E CB 0.966 30.689 29.700 0.038 0.000 1.095 117 E HN 0.443 nan 8.360 nan 0.000 0.399 118 Y N 1.722 121.851 120.300 -0.285 0.000 2.644 118 Y HA 0.447 4.992 4.550 -0.007 0.000 0.338 118 Y C -0.243 175.556 175.900 -0.168 0.000 1.119 118 Y CA -1.732 56.265 58.100 -0.171 0.000 1.060 118 Y CB 0.612 39.002 38.460 -0.115 0.000 1.294 118 Y HN 0.484 nan 8.280 nan 0.000 0.472 119 N N -0.238 118.448 118.700 -0.023 0.000 2.758 119 N HA -0.292 4.444 4.740 -0.007 0.000 0.248 119 N C -1.132 174.332 175.510 -0.077 0.000 1.076 119 N CA 0.924 53.923 53.050 -0.085 0.000 0.696 119 N CB -1.647 36.698 38.487 -0.237 0.000 0.979 119 N HN 0.877 nan 8.380 nan 0.000 0.550 120 Y N 0.391 120.611 120.300 -0.133 0.000 2.605 120 Y HA 0.276 4.822 4.550 -0.007 0.000 0.336 120 Y C 0.009 175.860 175.900 -0.081 0.000 1.111 120 Y CA -0.010 58.007 58.100 -0.138 0.000 1.422 120 Y CB 0.619 38.957 38.460 -0.204 0.000 1.193 120 Y HN 0.008 nan 8.280 nan 0.000 0.526 121 V N 8.103 127.697 119.914 -0.533 0.000 2.409 121 V HA 0.207 4.323 4.120 -0.007 0.000 0.290 121 V C -0.249 175.503 176.094 -0.569 0.000 1.017 121 V CA -1.404 60.646 62.300 -0.417 0.000 0.841 121 V CB 1.329 33.030 31.823 -0.205 0.000 1.003 121 V HN 0.696 nan 8.190 nan 0.000 0.426 122 K N 3.777 123.875 120.400 -0.504 0.000 2.401 122 K HA 0.210 4.526 4.320 -0.007 0.000 0.278 122 K C 0.454 176.901 176.600 -0.255 0.000 1.018 122 K CA 0.159 56.261 56.287 -0.308 0.000 0.981 122 K CB 1.117 33.597 32.500 -0.034 0.000 0.933 122 K HN 0.817 nan 8.250 nan 0.000 0.477 123 Q N 3.287 122.901 119.800 -0.310 0.000 2.496 123 Q HA 0.150 4.486 4.340 -0.007 0.000 0.299 123 Q C 0.044 175.791 176.000 -0.421 0.000 1.044 123 Q CA -0.192 55.234 55.803 -0.629 0.000 0.700 123 Q CB 0.035 28.236 28.738 -0.895 0.000 3.313 123 Q HN 0.715 nan 8.270 nan 0.000 0.449 124 W N 0.035 121.321 121.300 -0.022 0.000 1.756 124 W HA 0.344 5.000 4.660 -0.007 0.000 0.638 124 W C 1.913 178.414 176.519 -0.030 0.000 1.472 124 W CA -0.730 56.623 57.345 0.014 0.000 1.437 124 W CB -0.169 29.255 29.460 -0.060 0.000 3.368 124 W HN 0.260 nan 8.180 nan 0.000 0.771 125 R N -0.691 119.896 120.500 0.145 0.000 2.090 125 R HA -0.119 4.217 4.340 -0.007 0.000 0.228 125 R C 1.760 177.903 176.300 -0.262 0.000 1.110 125 R CA 1.608 57.627 56.100 -0.135 0.000 0.973 125 R CB -0.311 29.762 30.300 -0.378 0.000 0.869 125 R HN 0.496 nan 8.270 nan 0.000 0.440 126 H N -1.166 117.984 119.070 0.133 0.000 2.657 126 H HA 0.140 4.692 4.556 -0.007 0.000 0.262 126 H C 0.684 176.109 175.328 0.162 0.000 0.965 126 H CA 0.514 56.666 56.048 0.173 0.000 1.184 126 H CB -0.051 29.786 29.762 0.124 0.000 1.443 126 H HN 0.123 nan 8.280 nan 0.000 0.462 127 S N 1.567 117.263 115.700 -0.006 0.000 2.568 127 S HA 0.258 4.724 4.470 -0.007 0.000 0.282 127 S C -0.193 174.243 174.600 -0.273 0.000 1.338 127 S CA -0.262 57.580 58.200 -0.597 0.000 1.045 127 S CB 0.240 62.611 63.200 -1.381 0.000 0.873 127 S HN 0.476 nan 8.310 nan 0.000 0.516 128 Y N -2.423 117.696 120.300 -0.300 0.000 2.774 128 Y HA 0.681 5.226 4.550 -0.007 0.000 0.346 128 Y C -0.953 174.913 175.900 -0.057 0.000 1.222 128 Y CA -1.168 56.781 58.100 -0.252 0.000 1.088 128 Y CB 0.704 38.974 38.460 -0.317 0.000 1.354 128 Y HN 0.618 nan 8.280 nan 0.000 0.455 129 T N 1.371 115.994 114.554 0.114 0.000 2.887 129 T HA 0.931 5.277 4.350 -0.007 0.000 0.288 129 T C -0.987 173.779 174.700 0.109 0.000 1.021 129 T CA 0.109 62.277 62.100 0.113 0.000 1.000 129 T CB 1.315 70.188 68.868 0.009 0.000 1.034 129 T HN 1.222 nan 8.240 nan 0.000 0.467 130 A N 1.803 124.666 122.820 0.073 0.000 2.602 130 A HA 0.816 5.132 4.320 -0.007 0.000 0.290 130 A C -0.786 176.531 177.584 -0.445 0.000 1.114 130 A CA -0.720 51.193 52.037 -0.208 0.000 0.683 130 A CB 1.391 20.235 19.000 -0.259 0.000 1.281 130 A HN 0.655 nan 8.150 nan 0.000 0.416 131 S N -0.636 114.577 115.700 -0.812 0.000 2.617 131 S HA 0.745 5.210 4.470 -0.007 0.000 0.283 131 S C -1.561 172.343 174.600 -1.161 0.000 1.189 131 S CA 0.004 57.614 58.200 -0.983 0.000 1.036 131 S CB 0.527 62.828 63.200 -1.499 0.000 1.014 131 S HN 0.431 nan 8.310 nan 0.000 0.522 132 Y N 0.520 120.611 120.300 -0.348 0.000 2.361 132 Y HA 0.353 4.899 4.550 -0.007 0.000 0.328 132 Y C -0.595 175.348 175.900 0.072 0.000 1.044 132 Y CA -0.976 57.076 58.100 -0.080 0.000 1.085 132 Y CB 1.505 39.855 38.460 -0.182 0.000 1.194 132 Y HN 0.485 nan 8.280 nan 0.000 0.438 133 D N 3.644 124.286 120.400 0.403 0.000 2.185 133 D HA 0.512 5.148 4.640 -0.007 0.000 0.247 133 D C -0.505 175.964 176.300 0.283 0.000 1.027 133 D CA -0.298 53.884 54.000 0.304 0.000 0.861 133 D CB 2.254 43.254 40.800 0.333 0.000 1.202 133 D HN 0.402 nan 8.370 nan 0.000 0.453 134 I N 2.029 122.744 120.570 0.242 0.000 2.336 134 I HA 0.226 4.392 4.170 -0.007 0.000 0.292 134 I C -0.719 175.638 176.117 0.401 0.000 0.991 134 I CA -0.944 60.545 61.300 0.315 0.000 1.227 134 I CB 0.932 39.071 38.000 0.230 0.000 1.366 134 I HN 0.226 nan 8.210 nan 0.000 0.466 135 Y N 5.626 126.118 120.300 0.321 0.000 2.352 135 Y HA 0.341 4.887 4.550 -0.007 0.000 0.339 135 Y C -0.375 175.675 175.900 0.251 0.000 0.992 135 Y CA -0.818 57.445 58.100 0.273 0.000 1.100 135 Y CB 1.243 39.871 38.460 0.279 0.000 1.192 135 Y HN 0.499 nan 8.280 nan 0.000 0.458 136 D N 5.545 125.746 120.400 -0.331 0.000 2.295 136 D HA 0.121 4.757 4.640 -0.007 0.000 0.248 136 D C 0.616 176.545 176.300 -0.619 0.000 1.154 136 D CA 0.246 53.965 54.000 -0.468 0.000 0.857 136 D CB 1.113 41.676 40.800 -0.396 0.000 1.117 136 D HN 0.842 nan 8.370 nan 0.000 0.468 137 L N 3.544 124.533 121.223 -0.390 0.000 2.056 137 L HA -0.123 4.212 4.340 -0.007 0.000 0.207 137 L C 1.985 178.717 176.870 -0.229 0.000 1.078 137 L CA 1.032 55.738 54.840 -0.224 0.000 0.749 137 L CB -0.290 41.703 42.059 -0.110 0.000 0.901 137 L HN 0.482 nan 8.230 nan 0.000 0.433 138 N N -0.300 118.239 118.700 -0.269 0.000 2.135 138 N HA -0.132 4.603 4.740 -0.007 0.000 0.186 138 N C 1.411 176.808 175.510 -0.188 0.000 1.027 138 N CA 0.785 53.718 53.050 -0.194 0.000 0.849 138 N CB 0.041 38.413 38.487 -0.191 0.000 1.002 138 N HN 0.246 nan 8.380 nan 0.000 0.425 139 K N 0.797 121.052 120.400 -0.240 0.000 2.487 139 K HA 0.145 4.461 4.320 -0.007 0.000 0.192 139 K C 0.093 176.566 176.600 -0.210 0.000 1.027 139 K CA 0.129 56.302 56.287 -0.189 0.000 1.054 139 K CB 0.313 32.716 32.500 -0.161 0.000 0.824 139 K HN 0.130 nan 8.250 nan 0.000 0.510 140 R N 0.167 120.488 120.500 -0.299 0.000 3.977 140 R HA -0.213 4.123 4.340 -0.007 0.000 0.428 140 R C -0.069 176.004 176.300 -0.378 0.000 1.079 140 R CA 1.492 57.430 56.100 -0.269 0.000 1.269 140 R CB -1.783 28.467 30.300 -0.084 0.000 1.856 140 R HN 0.484 nan 8.270 nan 0.000 0.551 141 Q N 0.069 119.566 119.800 -0.506 0.000 2.496 141 Q HA 0.585 4.921 4.340 -0.007 0.000 0.286 141 Q C -0.750 175.143 176.000 -0.179 0.000 1.103 141 Q CA -1.255 54.416 55.803 -0.220 0.000 0.813 141 Q CB 1.397 30.090 28.738 -0.075 0.000 1.444 141 Q HN -0.090 nan 8.270 nan 0.000 0.443 142 L N 2.171 123.467 121.223 0.122 0.000 2.290 142 L HA 0.320 4.656 4.340 -0.007 0.000 0.284 142 L C -0.140 176.794 176.870 0.107 0.000 1.078 142 L CA -0.405 54.556 54.840 0.201 0.000 0.815 142 L CB 0.436 42.627 42.059 0.220 0.000 1.162 142 L HN 0.674 nan 8.230 nan 0.000 0.435 143 I N 3.070 123.717 120.570 0.128 0.000 2.533 143 I HA -0.004 4.162 4.170 -0.007 0.000 0.284 143 I C 1.473 177.625 176.117 0.059 0.000 1.109 143 I CA 0.550 61.906 61.300 0.093 0.000 1.412 143 I CB 0.850 38.918 38.000 0.112 0.000 1.396 143 I HN 0.715 nan 8.210 nan 0.000 0.543 144 T N 1.143 115.715 114.554 0.030 0.000 3.010 144 T HA 0.193 4.539 4.350 -0.007 0.000 0.257 144 T C 0.345 175.038 174.700 -0.011 0.000 1.020 144 T CA -0.356 61.749 62.100 0.009 0.000 0.938 144 T CB -0.039 68.831 68.868 0.004 0.000 1.049 144 T HN 0.576 nan 8.240 nan 0.000 0.522 145 E N 1.548 121.741 120.200 -0.012 0.000 2.221 145 E HA 0.283 4.628 4.350 -0.007 0.000 0.268 145 E C -0.841 175.732 176.600 -0.045 0.000 0.933 145 E CA -0.608 55.775 56.400 -0.029 0.000 0.809 145 E CB 1.066 30.753 29.700 -0.021 0.000 1.190 145 E HN 0.070 nan 8.360 nan 0.000 0.406 146 E N 0.832 120.992 120.200 -0.068 0.000 2.228 146 E HA -0.225 4.121 4.350 -0.007 0.000 0.213 146 E C -0.564 175.965 176.600 -0.119 0.000 1.282 146 E CA 0.645 56.988 56.400 -0.095 0.000 0.707 146 E CB -1.588 28.065 29.700 -0.077 0.000 1.150 146 E HN 0.545 nan 8.360 nan 0.000 0.362 147 R N -0.135 120.285 120.500 -0.135 0.000 2.679 147 R HA 0.396 4.732 4.340 -0.007 0.000 0.269 147 R C 1.044 177.179 176.300 -0.274 0.000 1.076 147 R CA -0.609 55.399 56.100 -0.153 0.000 1.160 147 R CB 0.523 30.756 30.300 -0.112 0.000 1.054 147 R HN 0.129 nan 8.270 nan 0.000 0.507 148 I N 4.655 125.033 120.570 -0.319 0.000 2.587 148 I HA 0.026 4.192 4.170 -0.007 0.000 0.284 148 I C -1.563 174.262 176.117 -0.487 0.000 1.134 148 I CA -1.454 59.508 61.300 -0.562 0.000 1.410 148 I CB 0.357 38.037 38.000 -0.534 0.000 1.392 148 I HN 0.311 nan 8.210 nan 0.000 0.545 149 P HA -0.019 nan 4.420 nan 0.000 0.267 149 P C -0.614 176.467 177.300 -0.364 0.000 1.200 149 P CA -0.112 62.597 63.100 -0.652 0.000 0.772 149 P CB 0.355 31.219 31.700 -1.393 0.000 0.855 150 N N 2.124 120.695 118.700 -0.216 0.000 2.344 150 N HA -0.088 4.648 4.740 -0.007 0.000 0.236 150 N C 0.580 176.146 175.510 0.093 0.000 1.279 150 N CA 0.518 53.507 53.050 -0.101 0.000 0.882 150 N CB -0.587 37.860 38.487 -0.066 0.000 1.110 150 N HN 0.429 nan 8.380 nan 0.000 0.436 151 N N -1.872 116.869 118.700 0.069 0.000 2.776 151 N HA -0.166 4.570 4.740 -0.007 0.000 0.250 151 N C -0.981 174.709 175.510 0.300 0.000 1.112 151 N CA 0.699 53.843 53.050 0.156 0.000 0.733 151 N CB -1.365 37.224 38.487 0.170 0.000 1.097 151 N HN 0.464 nan 8.380 nan 0.000 0.558 152 T N 0.367 115.089 114.554 0.279 0.000 2.916 152 T HA 0.029 4.375 4.350 -0.007 0.000 0.303 152 T C 1.447 176.332 174.700 0.309 0.000 1.025 152 T CA 0.189 62.493 62.100 0.340 0.000 1.142 152 T CB 1.067 70.089 68.868 0.255 0.000 0.947 152 T HN 0.194 nan 8.240 nan 0.000 0.544 153 Q N 1.699 121.671 119.800 0.288 0.000 2.297 153 Q HA 0.164 4.499 4.340 -0.007 0.000 0.203 153 Q C 0.143 176.322 176.000 0.298 0.000 0.931 153 Q CA 0.401 56.374 55.803 0.283 0.000 0.885 153 Q CB 0.788 29.629 28.738 0.171 0.000 0.991 153 Q HN 0.707 nan 8.270 nan 0.000 0.498 154 W N 0.532 121.810 121.300 -0.037 0.000 3.571 154 W HA 0.434 5.090 4.660 -0.007 0.000 0.294 154 W C -2.035 174.402 176.519 -0.137 0.000 1.257 154 W CA -0.851 56.422 57.345 -0.121 0.000 1.206 154 W CB 1.443 30.770 29.460 -0.220 0.000 1.325 154 W HN -0.254 nan 8.180 nan 0.000 0.546 155 V N 1.563 120.897 119.914 -0.966 0.000 2.789 155 V HA 0.892 5.008 4.120 -0.007 0.000 0.311 155 V C -0.905 174.581 176.094 -1.013 0.000 1.073 155 V CA -0.642 61.140 62.300 -0.863 0.000 0.921 155 V CB 1.252 32.405 31.823 -1.117 0.000 1.009 155 V HN 0.549 nan 8.190 nan 0.000 0.426 156 T N 2.994 117.243 114.554 -0.507 0.000 3.041 156 T HA 0.539 4.885 4.350 -0.007 0.000 0.321 156 T C -1.391 173.300 174.700 -0.016 0.000 1.184 156 T CA -0.327 61.642 62.100 -0.218 0.000 1.050 156 T CB 1.078 70.043 68.868 0.163 0.000 1.159 156 T HN 0.755 nan 8.240 nan 0.000 0.469 157 W N 3.194 124.519 121.300 0.041 0.000 2.150 157 W HA 0.439 5.095 4.660 -0.007 0.000 0.341 157 W C 1.275 177.598 176.519 -0.326 0.000 1.276 157 W CA -0.615 56.691 57.345 -0.064 0.000 1.238 157 W CB 0.592 30.023 29.460 -0.050 0.000 1.128 157 W HN 0.801 nan 8.180 nan 0.000 0.581 158 S N 1.578 116.931 115.700 -0.579 0.000 2.576 158 S HA 0.060 4.526 4.470 -0.007 0.000 0.272 158 S C -1.829 172.496 174.600 -0.460 0.000 1.352 158 S CA -0.884 56.488 58.200 -1.379 0.000 1.021 158 S CB 0.729 63.148 63.200 -1.303 0.000 0.887 158 S HN 0.281 nan 8.310 nan 0.000 0.542 159 P HA 0.018 nan 4.420 nan 0.000 0.217 159 P C 0.584 177.848 177.300 -0.061 0.000 1.151 159 P CA 0.843 63.907 63.100 -0.061 0.000 0.828 159 P CB -0.222 31.484 31.700 0.009 0.000 0.788 160 V N -5.991 113.852 119.914 -0.119 0.000 3.096 160 V HA 0.877 4.993 4.120 -0.007 0.000 0.319 160 V C 0.754 176.761 176.094 -0.145 0.000 1.103 160 V CA -0.293 61.951 62.300 -0.093 0.000 1.016 160 V CB 0.584 32.370 31.823 -0.063 0.000 1.090 160 V HN 0.472 nan 8.190 nan 0.000 0.449 161 G N 1.417 110.154 108.800 -0.105 0.000 2.550 161 G HA2 -0.221 3.735 3.960 -0.007 0.000 0.277 161 G HA3 -0.221 3.735 3.960 -0.007 0.000 0.277 161 G C 0.315 175.154 174.900 -0.100 0.000 1.190 161 G CA 0.915 45.941 45.100 -0.123 0.000 0.971 161 G HN 2.525 nan 8.290 nan 0.000 0.559 162 H N -0.481 118.535 119.070 -0.091 0.000 3.043 162 H HA 0.367 4.919 4.556 -0.007 0.000 0.244 162 H C 0.378 175.818 175.328 0.187 0.000 1.199 162 H CA -0.001 56.008 56.048 -0.066 0.000 0.956 162 H CB -0.285 29.414 29.762 -0.105 0.000 2.305 162 H HN 0.543 nan 8.280 nan 0.000 0.665 163 K N 1.432 121.796 120.400 -0.060 0.000 2.380 163 K HA 0.272 4.588 4.320 -0.007 0.000 0.267 163 K C -0.709 175.974 176.600 0.139 0.000 0.990 163 K CA -0.301 55.969 56.287 -0.030 0.000 0.946 163 K CB 1.148 33.488 32.500 -0.267 0.000 0.937 163 K HN 0.087 nan 8.250 nan 0.000 0.491 164 L N 1.231 122.570 121.223 0.194 0.000 2.470 164 L HA 0.490 4.826 4.340 -0.007 0.000 0.268 164 L C -1.593 175.455 176.870 0.296 0.000 0.964 164 L CA -0.122 54.799 54.840 0.135 0.000 0.839 164 L CB 1.794 43.781 42.059 -0.121 0.000 1.276 164 L HN 0.739 nan 8.230 nan 0.000 0.403 165 A N 4.191 127.233 122.820 0.371 0.000 2.365 165 A HA 0.889 5.205 4.320 -0.007 0.000 0.318 165 A C -1.758 175.885 177.584 0.100 0.000 1.091 165 A CA -0.366 51.780 52.037 0.182 0.000 0.763 165 A CB 1.174 20.205 19.000 0.051 0.000 1.248 165 A HN 0.936 nan 8.150 nan 0.000 0.442 166 Y N -1.024 119.257 120.300 -0.032 0.000 2.581 166 Y HA 0.675 5.221 4.550 -0.007 0.000 0.337 166 Y C -1.382 174.552 175.900 0.057 0.000 1.108 166 Y CA -1.486 56.582 58.100 -0.053 0.000 1.033 166 Y CB 0.840 39.209 38.460 -0.152 0.000 1.318 166 Y HN 0.421 nan 8.280 nan 0.000 0.459 167 V N 2.637 122.707 119.914 0.259 0.000 2.435 167 V HA 0.399 4.514 4.120 -0.007 0.000 0.290 167 V C -1.286 175.051 176.094 0.405 0.000 1.030 167 V CA -0.529 61.890 62.300 0.198 0.000 0.881 167 V CB 1.215 33.049 31.823 0.019 0.000 0.983 167 V HN 0.881 nan 8.190 nan 0.000 0.445 168 W N 5.460 126.889 121.300 0.214 0.000 3.097 168 W HA 0.529 5.185 4.660 -0.007 0.000 0.335 168 W C 0.038 176.634 176.519 0.128 0.000 1.114 168 W CA -0.617 56.832 57.345 0.174 0.000 1.231 168 W CB 1.299 30.861 29.460 0.170 0.000 1.388 168 W HN 0.620 nan 8.180 nan 0.000 0.485 169 N N 5.278 123.611 118.700 -0.613 0.000 2.714 169 N HA -0.313 4.423 4.740 -0.007 0.000 0.252 169 N C 0.056 175.387 175.510 -0.299 0.000 1.014 169 N CA 1.840 54.521 53.050 -0.615 0.000 0.735 169 N CB -1.468 36.393 38.487 -1.043 0.000 0.924 169 N HN 0.844 nan 8.380 nan 0.000 0.540 170 N N -2.206 116.384 118.700 -0.183 0.000 2.753 170 N HA -0.210 4.526 4.740 -0.007 0.000 0.251 170 N C -1.198 174.221 175.510 -0.152 0.000 1.097 170 N CA 1.096 54.057 53.050 -0.148 0.000 0.786 170 N CB -0.347 38.012 38.487 -0.214 0.000 1.137 170 N HN 0.454 nan 8.380 nan 0.000 0.566 171 D N 0.330 120.646 120.400 -0.139 0.000 2.527 171 D HA 0.495 5.131 4.640 -0.007 0.000 0.233 171 D C 0.056 176.164 176.300 -0.320 0.000 1.063 171 D CA -0.398 53.435 54.000 -0.279 0.000 0.880 171 D CB 1.668 42.245 40.800 -0.373 0.000 1.457 171 D HN 0.008 nan 8.370 nan 0.000 0.475 172 I N 1.745 121.972 120.570 -0.572 0.000 2.353 172 I HA 0.255 4.421 4.170 -0.007 0.000 0.293 172 I C -0.579 175.055 176.117 -0.805 0.000 0.992 172 I CA -0.492 60.461 61.300 -0.577 0.000 1.268 172 I CB 0.571 38.162 38.000 -0.681 0.000 1.387 172 I HN 0.155 nan 8.210 nan 0.000 0.478 173 Y N 4.310 124.210 120.300 -0.668 0.000 2.524 173 Y HA 0.665 5.211 4.550 -0.007 0.000 0.344 173 Y C -0.238 175.314 175.900 -0.579 0.000 1.012 173 Y CA -0.987 56.671 58.100 -0.737 0.000 1.068 173 Y CB 2.111 39.865 38.460 -1.178 0.000 1.249 173 Y HN 0.130 nan 8.280 nan 0.000 0.468 174 V N 2.731 122.584 119.914 -0.101 0.000 2.577 174 V HA 0.379 4.495 4.120 -0.007 0.000 0.303 174 V C -0.872 175.360 176.094 0.229 0.000 1.042 174 V CA -1.376 60.971 62.300 0.079 0.000 0.872 174 V CB 1.905 33.794 31.823 0.109 0.000 0.998 174 V HN 0.639 nan 8.190 nan 0.000 0.423 175 K N 4.609 125.144 120.400 0.224 0.000 2.235 175 K HA 0.500 4.816 4.320 -0.007 0.000 0.266 175 K C 0.304 177.034 176.600 0.217 0.000 0.980 175 K CA -0.752 55.664 56.287 0.215 0.000 0.849 175 K CB 1.896 34.481 32.500 0.142 0.000 1.098 175 K HN 0.421 nan 8.250 nan 0.000 0.445 176 I N 1.042 121.756 120.570 0.240 0.000 2.333 176 I HA -0.036 4.130 4.170 -0.007 0.000 0.246 176 I C 0.511 176.696 176.117 0.113 0.000 1.106 176 I CA 1.362 62.751 61.300 0.149 0.000 1.411 176 I CB -0.282 37.808 38.000 0.150 0.000 1.082 176 I HN 0.549 nan 8.210 nan 0.000 0.420 177 E N 0.370 120.651 120.200 0.135 0.000 2.238 177 E HA 0.282 4.628 4.350 -0.007 0.000 0.267 177 E C -1.840 174.782 176.600 0.037 0.000 0.887 177 E CA -2.067 54.406 56.400 0.122 0.000 0.769 177 E CB 1.879 31.653 29.700 0.123 0.000 1.187 177 E HN -0.126 nan 8.360 nan 0.000 0.416 178 P HA -0.158 nan 4.420 nan 0.000 0.219 178 P C 0.793 178.052 177.300 -0.067 0.000 1.146 178 P CA 1.374 64.383 63.100 -0.151 0.000 0.808 178 P CB 0.229 31.649 31.700 -0.467 0.000 0.779 179 N N -1.640 117.040 118.700 -0.032 0.000 2.325 179 N HA 0.030 4.766 4.740 -0.007 0.000 0.182 179 N C 0.432 175.938 175.510 -0.006 0.000 1.088 179 N CA -0.049 52.999 53.050 -0.003 0.000 0.879 179 N CB -0.086 38.418 38.487 0.027 0.000 0.983 179 N HN 0.148 nan 8.380 nan 0.000 0.471 180 L N 1.424 122.647 121.223 0.001 0.000 2.421 180 L HA 0.397 4.733 4.340 -0.007 0.000 0.263 180 L C -2.137 174.696 176.870 -0.061 0.000 1.122 180 L CA -2.022 52.810 54.840 -0.014 0.000 0.804 180 L CB 0.646 42.718 42.059 0.021 0.000 1.150 180 L HN -0.149 nan 8.230 nan 0.000 0.457 181 P HA 0.025 nan 4.420 nan 0.000 0.268 181 P C -0.912 176.242 177.300 -0.243 0.000 1.208 181 P CA -0.054 62.947 63.100 -0.164 0.000 0.777 181 P CB 0.508 32.097 31.700 -0.185 0.000 0.875 182 S N 1.068 116.678 115.700 -0.151 0.000 2.592 182 S HA 0.282 4.747 4.470 -0.007 0.000 0.271 182 S C -0.467 174.030 174.600 -0.172 0.000 1.326 182 S CA -0.148 58.009 58.200 -0.072 0.000 1.024 182 S CB -0.077 63.166 63.200 0.071 0.000 0.921 182 S HN 0.246 nan 8.310 nan 0.000 0.527 183 Y N 0.944 121.268 120.300 0.040 0.000 2.326 183 Y HA 0.391 4.937 4.550 -0.007 0.000 0.337 183 Y C 0.717 176.546 175.900 -0.119 0.000 1.023 183 Y CA -0.682 57.420 58.100 0.004 0.000 1.143 183 Y CB 0.698 39.160 38.460 0.003 0.000 1.183 183 Y HN 0.508 nan 8.280 nan 0.000 0.485 184 R N 3.666 124.116 120.500 -0.084 0.000 2.210 184 R HA 0.299 4.635 4.340 -0.007 0.000 0.338 184 R C 0.025 176.030 176.300 -0.492 0.000 1.062 184 R CA 0.126 55.857 56.100 -0.615 0.000 0.902 184 R CB 0.066 29.772 30.300 -0.991 0.000 1.050 184 R HN 0.896 nan 8.270 nan 0.000 0.461 185 I N 2.148 122.383 120.570 -0.558 0.000 2.584 185 I HA -0.064 4.101 4.170 -0.007 0.000 0.255 185 I C 0.617 176.514 176.117 -0.366 0.000 1.145 185 I CA 0.798 61.883 61.300 -0.358 0.000 1.462 185 I CB 0.208 37.963 38.000 -0.409 0.000 1.102 185 I HN 0.622 nan 8.210 nan 0.000 0.433 186 T N -4.013 110.177 114.554 -0.606 0.000 2.900 186 T HA 0.334 4.680 4.350 -0.007 0.000 0.295 186 T C -0.827 173.551 174.700 -0.536 0.000 1.044 186 T CA -0.632 61.213 62.100 -0.426 0.000 0.995 186 T CB 1.337 69.948 68.868 -0.429 0.000 1.072 186 T HN 0.156 nan 8.240 nan 0.000 0.473 187 W N 0.587 121.773 121.300 -0.190 0.000 2.499 187 W HA 0.249 4.905 4.660 -0.007 0.000 0.362 187 W C 1.737 178.196 176.519 -0.100 0.000 0.945 187 W CA -0.249 57.020 57.345 -0.127 0.000 1.721 187 W CB 0.396 29.803 29.460 -0.088 0.000 1.156 187 W HN 0.929 nan 8.180 nan 0.000 0.547 188 T N -3.102 111.477 114.554 0.042 0.000 3.040 188 T HA 0.287 4.633 4.350 -0.007 0.000 0.250 188 T C 1.239 175.923 174.700 -0.026 0.000 1.058 188 T CA 0.160 62.272 62.100 0.019 0.000 0.988 188 T CB -0.073 68.802 68.868 0.011 0.000 0.993 188 T HN -0.007 nan 8.240 nan 0.000 0.519 189 G N 1.283 110.035 108.800 -0.079 0.000 2.321 189 G HA2 0.355 4.311 3.960 -0.007 0.000 0.237 189 G HA3 0.355 4.311 3.960 -0.007 0.000 0.237 189 G C -0.634 174.196 174.900 -0.116 0.000 1.282 189 G CA -0.333 44.697 45.100 -0.117 0.000 0.886 189 G HN 0.538 nan 8.290 nan 0.000 0.528 190 K N 1.654 121.963 120.400 -0.153 0.000 2.619 190 K HA 0.155 4.471 4.320 -0.007 0.000 0.251 190 K C -0.166 176.306 176.600 -0.214 0.000 0.987 190 K CA -0.637 55.565 56.287 -0.142 0.000 0.844 190 K CB 1.535 33.987 32.500 -0.080 0.000 1.237 190 K HN 0.655 nan 8.250 nan 0.000 0.447 191 E N 3.133 123.219 120.200 -0.190 0.000 2.765 191 E HA -0.171 4.175 4.350 -0.007 0.000 0.256 191 E C -0.593 175.908 176.600 -0.165 0.000 0.935 191 E CA 1.033 57.319 56.400 -0.190 0.000 0.954 191 E CB 0.237 29.862 29.700 -0.125 0.000 0.908 191 E HN 0.628 nan 8.360 nan 0.000 0.500 192 D N 2.432 122.706 120.400 -0.209 0.000 3.077 192 D HA -0.239 4.396 4.640 -0.007 0.000 0.217 192 D C 0.404 176.725 176.300 0.036 0.000 1.162 192 D CA 1.575 55.573 54.000 -0.004 0.000 0.943 192 D CB -0.956 39.898 40.800 0.089 0.000 1.122 192 D HN 0.536 nan 8.370 nan 0.000 0.413 193 I N -1.383 119.100 120.570 -0.146 0.000 3.814 193 I HA 0.071 4.237 4.170 -0.007 0.000 0.264 193 I C 0.231 176.392 176.117 0.073 0.000 1.145 193 I CA -0.068 61.251 61.300 0.032 0.000 1.375 193 I CB 0.717 38.724 38.000 0.012 0.000 1.638 193 I HN -0.178 nan 8.210 nan 0.000 0.432 194 I N 1.577 122.098 120.570 -0.081 0.000 2.389 194 I HA 0.278 4.444 4.170 -0.007 0.000 0.288 194 I C -1.473 174.605 176.117 -0.065 0.000 0.999 194 I CA -0.493 60.833 61.300 0.044 0.000 1.129 194 I CB 0.847 38.866 38.000 0.032 0.000 1.288 194 I HN 0.054 nan 8.210 nan 0.000 0.444 195 Y N 4.529 124.919 120.300 0.151 0.000 2.388 195 Y HA 0.371 4.917 4.550 -0.007 0.000 0.328 195 Y C 0.428 176.390 175.900 0.103 0.000 0.963 195 Y CA -0.828 57.359 58.100 0.144 0.000 1.240 195 Y CB 0.758 39.374 38.460 0.261 0.000 1.118 195 Y HN 0.409 nan 8.280 nan 0.000 0.484 196 N N 2.476 121.230 118.700 0.088 0.000 2.414 196 N HA 0.296 5.032 4.740 -0.007 0.000 0.256 196 N C 0.983 176.420 175.510 -0.121 0.000 1.029 196 N CA 0.617 53.649 53.050 -0.030 0.000 0.948 196 N CB 1.670 40.034 38.487 -0.204 0.000 1.102 196 N HN 1.014 nan 8.380 nan 0.000 0.496 197 G N 1.690 110.443 108.800 -0.079 0.000 2.179 197 G HA2 -0.265 3.691 3.960 -0.007 0.000 0.260 197 G HA3 -0.265 3.691 3.960 -0.007 0.000 0.260 197 G C 0.135 174.866 174.900 -0.282 0.000 0.977 197 G CA 0.704 45.678 45.100 -0.210 0.000 0.641 197 G HN 0.667 nan 8.290 nan 0.000 0.533 198 I N -1.815 118.663 120.570 -0.153 0.000 2.934 198 I HA 0.839 5.005 4.170 -0.007 0.000 0.306 198 I C 0.312 176.439 176.117 0.017 0.000 1.110 198 I CA -0.683 60.429 61.300 -0.314 0.000 1.019 198 I CB 2.063 39.674 38.000 -0.649 0.000 1.227 198 I HN 0.174 nan 8.210 nan 0.000 0.434 199 T N -0.530 113.949 114.554 -0.124 0.000 2.918 199 T HA 0.419 4.765 4.350 -0.007 0.000 0.283 199 T C -0.201 174.251 174.700 -0.413 0.000 1.001 199 T CA -0.665 61.203 62.100 -0.387 0.000 1.041 199 T CB 1.316 70.048 68.868 -0.225 0.000 1.028 199 T HN 0.775 nan 8.240 nan 0.000 0.511 200 D N 0.314 120.215 120.400 -0.833 0.000 2.440 200 D HA 0.040 4.676 4.640 -0.007 0.000 0.269 200 D C 1.021 177.236 176.300 -0.142 0.000 1.249 200 D CA -1.067 52.477 54.000 -0.760 0.000 1.055 200 D CB -0.013 40.335 40.800 -0.753 0.000 1.104 200 D HN 0.714 nan 8.370 nan 0.000 0.561 201 W N -0.081 121.159 121.300 -0.100 0.000 2.333 201 W HA -0.220 4.436 4.660 -0.007 0.000 0.316 201 W C 2.164 178.580 176.519 -0.172 0.000 1.215 201 W CA 2.422 59.705 57.345 -0.103 0.000 1.278 201 W CB -0.450 28.889 29.460 -0.203 0.000 1.154 201 W HN 0.174 nan 8.180 nan 0.000 0.486 202 V N -0.201 119.817 119.914 0.174 0.000 2.453 202 V HA -0.275 3.841 4.120 -0.007 0.000 0.247 202 V C 1.894 177.843 176.094 -0.242 0.000 1.048 202 V CA 1.960 64.255 62.300 -0.009 0.000 1.049 202 V CB -0.775 31.043 31.823 -0.009 0.000 0.672 202 V HN 0.297 nan 8.190 nan 0.000 0.457 203 Y N 0.776 120.919 120.300 -0.262 0.000 2.293 203 Y HA -0.190 4.355 4.550 -0.007 0.000 0.291 203 Y C 2.549 178.355 175.900 -0.157 0.000 1.137 203 Y CA 2.117 60.065 58.100 -0.252 0.000 1.202 203 Y CB -0.049 38.130 38.460 -0.469 0.000 0.990 203 Y HN 0.434 nan 8.280 nan 0.000 0.537 204 E N 0.391 120.551 120.200 -0.066 0.000 2.028 204 E HA -0.283 4.063 4.350 -0.007 0.000 0.191 204 E C 2.049 178.605 176.600 -0.073 0.000 0.988 204 E CA 1.535 57.919 56.400 -0.026 0.000 0.799 204 E CB -0.045 29.632 29.700 -0.039 0.000 0.755 204 E HN 0.406 nan 8.360 nan 0.000 0.447 205 E N 0.016 119.987 120.200 -0.381 0.000 2.072 205 E HA -0.157 4.189 4.350 -0.007 0.000 0.190 205 E C 1.624 178.115 176.600 -0.181 0.000 0.982 205 E CA 1.526 57.693 56.400 -0.389 0.000 0.803 205 E CB 0.205 29.327 29.700 -0.963 0.000 0.755 205 E HN 0.239 nan 8.360 nan 0.000 0.453 206 E N -0.953 119.118 120.200 -0.215 0.000 2.434 206 E HA 0.104 4.450 4.350 -0.007 0.000 0.207 206 E C 1.808 178.279 176.600 -0.215 0.000 0.929 206 E CA 0.408 56.722 56.400 -0.144 0.000 1.001 206 E CB 0.860 30.472 29.700 -0.147 0.000 1.016 206 E HN 0.187 nan 8.360 nan 0.000 0.502 207 V N -0.233 119.496 119.914 -0.308 0.000 2.602 207 V HA 0.045 4.161 4.120 -0.007 0.000 0.235 207 V C 1.554 177.408 176.094 -0.400 0.000 1.087 207 V CA 0.936 62.958 62.300 -0.463 0.000 1.117 207 V CB -0.284 31.108 31.823 -0.719 0.000 0.820 207 V HN 0.026 nan 8.190 nan 0.000 0.490 208 F N 0.205 120.174 119.950 0.032 0.000 2.714 208 F HA 0.306 4.829 4.527 -0.007 0.000 0.294 208 F C 1.583 177.358 175.800 -0.042 0.000 1.120 208 F CA 0.434 58.468 58.000 0.057 0.000 1.398 208 F CB -0.056 39.025 39.000 0.135 0.000 1.120 208 F HN 0.072 nan 8.300 nan 0.000 0.589 209 S N 0.220 115.946 115.700 0.044 0.000 3.698 209 S HA 0.042 4.508 4.470 -0.007 0.000 0.338 209 S C -0.037 174.144 174.600 -0.699 0.000 1.089 209 S CA 0.364 58.454 58.200 -0.183 0.000 0.991 209 S CB -1.650 61.497 63.200 -0.089 0.000 0.909 209 S HN 0.701 nan 8.310 nan 0.000 0.485 210 A N -0.829 121.802 122.820 -0.315 0.000 2.586 210 A HA 0.676 4.992 4.320 -0.007 0.000 0.291 210 A C -0.378 177.185 177.584 -0.035 0.000 1.062 210 A CA -0.308 51.574 52.037 -0.258 0.000 0.666 210 A CB 0.220 19.084 19.000 -0.227 0.000 1.281 210 A HN 0.343 nan 8.150 nan 0.000 0.421 211 Y N 1.243 121.390 120.300 -0.257 0.000 2.314 211 Y HA 0.036 4.582 4.550 -0.007 0.000 0.294 211 Y C 1.628 177.222 175.900 -0.510 0.000 1.119 211 Y CA 0.983 58.918 58.100 -0.275 0.000 1.179 211 Y CB 0.222 38.559 38.460 -0.206 0.000 1.025 211 Y HN 0.801 nan 8.280 nan 0.000 0.541 212 S N 0.651 115.786 115.700 -0.941 0.000 2.572 212 S HA 0.416 4.882 4.470 -0.007 0.000 0.279 212 S C 0.051 174.096 174.600 -0.925 0.000 1.341 212 S CA -0.183 57.231 58.200 -1.310 0.000 1.043 212 S CB 1.600 63.584 63.200 -2.028 0.000 0.887 212 S HN 0.367 nan 8.310 nan 0.000 0.516 213 A N 2.757 125.028 122.820 -0.916 0.000 3.234 213 A HA 0.554 4.870 4.320 -0.007 0.000 0.247 213 A C -0.502 176.386 177.584 -1.160 0.000 0.938 213 A CA -0.561 50.849 52.037 -1.044 0.000 1.039 213 A CB -0.022 18.818 19.000 -0.267 0.000 1.197 213 A HN 0.773 nan 8.150 nan 0.000 0.498 214 L N 1.027 121.433 121.223 -1.362 0.000 2.406 214 L HA 0.541 4.877 4.340 -0.007 0.000 0.272 214 L C -1.318 175.108 176.870 -0.741 0.000 0.980 214 L CA -0.413 53.970 54.840 -0.761 0.000 0.831 214 L CB 1.682 43.498 42.059 -0.405 0.000 1.253 214 L HN 0.501 nan 8.230 nan 0.000 0.406 215 W N 2.854 124.182 121.300 0.046 0.000 2.587 215 W HA 0.262 4.918 4.660 -0.007 0.000 0.324 215 W C -0.931 175.752 176.519 0.273 0.000 1.008 215 W CA -1.051 56.440 57.345 0.244 0.000 1.265 215 W CB 1.497 31.187 29.460 0.384 0.000 1.328 215 W HN 0.463 nan 8.180 nan 0.000 0.432 216 W N 2.191 123.667 121.300 0.292 0.000 2.202 216 W HA 0.242 4.897 4.660 -0.007 0.000 0.332 216 W C 1.273 177.450 176.519 -0.571 0.000 1.263 216 W CA 0.156 57.497 57.345 -0.006 0.000 1.223 216 W CB 0.787 30.247 29.460 -0.002 0.000 1.128 216 W HN 0.209 nan 8.180 nan 0.000 0.573 217 S N 2.208 117.447 115.700 -0.769 0.000 2.584 217 S HA 0.110 4.576 4.470 -0.007 0.000 0.270 217 S C -1.727 172.614 174.600 -0.433 0.000 1.346 217 S CA -0.920 56.424 58.200 -1.426 0.000 1.018 217 S CB 0.919 63.492 63.200 -1.044 0.000 0.899 217 S HN 0.287 nan 8.310 nan 0.000 0.542 218 P HA -0.162 nan 4.420 nan 0.000 0.216 218 P C 0.811 178.086 177.300 -0.040 0.000 1.154 218 P CA 1.683 64.761 63.100 -0.037 0.000 0.865 218 P CB -0.238 31.489 31.700 0.045 0.000 0.789 219 N N -1.992 116.673 118.700 -0.060 0.000 2.235 219 N HA 0.149 4.885 4.740 -0.007 0.000 0.209 219 N C 1.026 176.468 175.510 -0.114 0.000 1.122 219 N CA 0.319 53.329 53.050 -0.066 0.000 0.845 219 N CB -0.767 37.698 38.487 -0.037 0.000 1.004 219 N HN 0.160 nan 8.380 nan 0.000 0.499 220 G N -0.889 107.842 108.800 -0.115 0.000 2.162 220 G HA2 -0.347 3.609 3.960 -0.007 0.000 0.260 220 G HA3 -0.347 3.609 3.960 -0.007 0.000 0.260 220 G C 0.931 175.836 174.900 0.009 0.000 0.976 220 G CA 0.828 45.848 45.100 -0.133 0.000 0.655 220 G HN 0.386 nan 8.290 nan 0.000 0.533 221 T N -0.152 114.359 114.554 -0.071 0.000 2.737 221 T HA 0.201 4.547 4.350 -0.007 0.000 0.265 221 T C 0.836 175.375 174.700 -0.269 0.000 1.038 221 T CA 1.273 63.228 62.100 -0.241 0.000 1.144 221 T CB -0.080 68.525 68.868 -0.438 0.000 0.866 221 T HN 0.293 nan 8.240 nan 0.000 0.434 222 F N 0.478 120.460 119.950 0.054 0.000 2.422 222 F HA 0.599 5.122 4.527 -0.007 0.000 0.333 222 F C -0.225 175.633 175.800 0.097 0.000 1.095 222 F CA -1.519 56.549 58.000 0.113 0.000 1.038 222 F CB 1.082 40.227 39.000 0.242 0.000 1.156 222 F HN -0.087 nan 8.300 nan 0.000 0.483 223 L N 3.127 124.473 121.223 0.204 0.000 2.319 223 L HA 0.788 5.124 4.340 -0.007 0.000 0.281 223 L C -0.539 176.408 176.870 0.128 0.000 1.005 223 L CA -0.573 54.195 54.840 -0.121 0.000 0.828 223 L CB 0.615 42.323 42.059 -0.584 0.000 1.227 223 L HN 0.664 nan 8.230 nan 0.000 0.415 224 A N 5.015 127.983 122.820 0.247 0.000 2.312 224 A HA 0.785 5.101 4.320 -0.007 0.000 0.328 224 A C -1.427 176.251 177.584 0.157 0.000 1.158 224 A CA -0.296 51.821 52.037 0.132 0.000 0.821 224 A CB 0.637 19.837 19.000 0.334 0.000 1.170 224 A HN 0.866 nan 8.150 nan 0.000 0.490 225 Y N -1.541 118.561 120.300 -0.330 0.000 2.609 225 Y HA 0.745 5.291 4.550 -0.007 0.000 0.336 225 Y C -0.357 175.391 175.900 -0.254 0.000 1.129 225 Y CA -0.911 57.077 58.100 -0.188 0.000 1.040 225 Y CB 0.860 39.181 38.460 -0.232 0.000 1.310 225 Y HN 0.922 nan 8.280 nan 0.000 0.460 226 A N 2.386 125.283 122.820 0.127 0.000 2.306 226 A HA 0.653 4.969 4.320 -0.007 0.000 0.330 226 A C -1.061 176.433 177.584 -0.150 0.000 1.146 226 A CA -0.808 51.179 52.037 -0.083 0.000 0.827 226 A CB 1.544 20.402 19.000 -0.237 0.000 1.178 226 A HN 0.832 nan 8.150 nan 0.000 0.490 227 Q N 1.362 121.029 119.800 -0.221 0.000 2.325 227 Q HA 0.593 4.929 4.340 -0.007 0.000 0.270 227 Q C -2.061 173.763 176.000 -0.293 0.000 1.020 227 Q CA -0.374 55.386 55.803 -0.071 0.000 0.785 227 Q CB 0.903 29.806 28.738 0.274 0.000 1.259 227 Q HN 0.567 nan 8.270 nan 0.000 0.452 228 F N 2.553 122.610 119.950 0.179 0.000 2.420 228 F HA 0.388 4.911 4.527 -0.007 0.000 0.342 228 F C 0.454 176.418 175.800 0.273 0.000 1.113 228 F CA -0.875 57.215 58.000 0.150 0.000 1.059 228 F CB 1.273 40.273 39.000 0.001 0.000 1.128 228 F HN 0.474 nan 8.300 nan 0.000 0.475 229 N N 2.285 121.208 118.700 0.372 0.000 2.469 229 N HA 0.191 4.927 4.740 -0.007 0.000 0.253 229 N C -0.709 174.981 175.510 0.301 0.000 0.970 229 N CA -0.221 53.008 53.050 0.298 0.000 0.940 229 N CB 1.058 39.664 38.487 0.199 0.000 1.128 229 N HN 0.558 nan 8.380 nan 0.000 0.503 230 D N 1.318 121.915 120.400 0.329 0.000 2.402 230 D HA 0.116 4.752 4.640 -0.007 0.000 0.216 230 D C 1.229 177.649 176.300 0.200 0.000 1.128 230 D CA 0.161 54.336 54.000 0.291 0.000 0.833 230 D CB 0.544 41.587 40.800 0.405 0.000 0.971 230 D HN 0.465 nan 8.370 nan 0.000 0.503 231 T N 0.430 115.080 114.554 0.161 0.000 2.649 231 T HA -0.226 4.120 4.350 -0.007 0.000 0.268 231 T C 1.359 176.115 174.700 0.094 0.000 1.036 231 T CA 1.410 63.577 62.100 0.112 0.000 1.157 231 T CB -0.076 68.846 68.868 0.090 0.000 0.861 231 T HN 0.305 nan 8.240 nan 0.000 0.445 232 E N 0.250 120.506 120.200 0.093 0.000 2.476 232 E HA 0.175 4.521 4.350 -0.007 0.000 0.196 232 E C -0.375 176.273 176.600 0.081 0.000 1.029 232 E CA -0.258 56.186 56.400 0.074 0.000 0.896 232 E CB 0.549 30.285 29.700 0.061 0.000 1.012 232 E HN 0.203 nan 8.360 nan 0.000 0.475 233 V N 3.864 123.841 119.914 0.105 0.000 2.479 233 V HA 0.064 4.180 4.120 -0.007 0.000 0.281 233 V C -1.964 174.187 176.094 0.094 0.000 1.031 233 V CA -1.321 61.045 62.300 0.109 0.000 1.038 233 V CB 0.095 32.004 31.823 0.142 0.000 0.981 233 V HN 0.048 nan 8.190 nan 0.000 0.478 234 P HA 0.267 nan 4.420 nan 0.000 0.272 234 P C -0.763 176.572 177.300 0.058 0.000 1.240 234 P CA -0.304 62.832 63.100 0.059 0.000 0.791 234 P CB 0.509 32.241 31.700 0.053 0.000 0.978 235 L N 1.586 122.821 121.223 0.019 0.000 2.296 235 L HA 0.436 4.772 4.340 -0.007 0.000 0.286 235 L C 0.335 177.154 176.870 -0.086 0.000 1.023 235 L CA -1.100 53.734 54.840 -0.011 0.000 0.812 235 L CB 1.107 43.155 42.059 -0.018 0.000 1.223 235 L HN 0.283 nan 8.230 nan 0.000 0.421 236 I N 3.006 123.479 120.570 -0.161 0.000 2.496 236 I HA 0.131 4.297 4.170 -0.007 0.000 0.285 236 I C -0.085 175.874 176.117 -0.264 0.000 1.080 236 I CA 0.450 61.548 61.300 -0.337 0.000 1.404 236 I CB 0.474 37.987 38.000 -0.812 0.000 1.403 236 I HN 0.575 nan 8.210 nan 0.000 0.539 237 E N 7.543 127.611 120.200 -0.221 0.000 2.199 237 E HA 0.531 4.877 4.350 -0.007 0.000 0.269 237 E C -1.689 174.837 176.600 -0.123 0.000 0.899 237 E CA -0.597 55.667 56.400 -0.227 0.000 0.772 237 E CB 1.988 31.594 29.700 -0.158 0.000 1.155 237 E HN 0.576 nan 8.360 nan 0.000 0.408 238 Y N -1.943 118.275 120.300 -0.137 0.000 2.656 238 Y HA 0.496 5.042 4.550 -0.007 0.000 0.334 238 Y C -0.818 175.007 175.900 -0.126 0.000 1.179 238 Y CA -1.316 56.705 58.100 -0.131 0.000 1.050 238 Y CB 0.703 39.091 38.460 -0.119 0.000 1.308 238 Y HN 0.205 nan 8.280 nan 0.000 0.456 239 S N 1.764 117.465 115.700 0.002 0.000 2.545 239 S HA 0.483 4.949 4.470 -0.007 0.000 0.275 239 S C -1.379 173.065 174.600 -0.261 0.000 1.299 239 S CA -0.376 57.663 58.200 -0.268 0.000 1.048 239 S CB 0.310 63.173 63.200 -0.562 0.000 0.938 239 S HN 0.528 nan 8.310 nan 0.000 0.496 240 F N 2.468 122.173 119.950 -0.409 0.000 2.477 240 F HA 0.421 4.944 4.527 -0.007 0.000 0.335 240 F C -0.149 175.439 175.800 -0.353 0.000 1.130 240 F CA -0.798 57.042 58.000 -0.266 0.000 0.948 240 F CB 0.820 39.797 39.000 -0.038 0.000 1.154 240 F HN 0.672 nan 8.300 nan 0.000 0.439 241 Y N 2.621 122.737 120.300 -0.305 0.000 2.397 241 Y HA 0.113 4.659 4.550 -0.007 0.000 0.292 241 Y C 1.718 177.573 175.900 -0.075 0.000 1.115 241 Y CA 1.032 59.042 58.100 -0.150 0.000 1.208 241 Y CB -0.417 37.936 38.460 -0.178 0.000 1.046 241 Y HN 0.744 nan 8.280 nan 0.000 0.552 242 S N -0.201 115.460 115.700 -0.066 0.000 3.443 242 S HA -0.289 4.177 4.470 -0.007 0.000 0.635 242 S C -0.400 174.264 174.600 0.107 0.000 2.555 242 S CA 0.241 58.541 58.200 0.167 0.000 2.778 242 S CB -1.315 62.072 63.200 0.312 0.000 0.331 242 S HN 0.508 nan 8.310 nan 0.000 1.765 243 D N 1.360 121.835 120.400 0.126 0.000 2.423 243 D HA 0.223 4.859 4.640 -0.007 0.000 0.238 243 D C 1.375 177.714 176.300 0.065 0.000 1.142 243 D CA 0.829 54.879 54.000 0.084 0.000 0.884 243 D CB 0.330 41.179 40.800 0.081 0.000 1.199 243 D HN 0.515 nan 8.370 nan 0.000 0.438 244 E N 0.705 120.930 120.200 0.041 0.000 2.253 244 E HA -0.301 4.045 4.350 -0.007 0.000 0.202 244 E C 1.457 178.074 176.600 0.029 0.000 1.014 244 E CA 1.400 57.815 56.400 0.025 0.000 0.823 244 E CB 0.088 29.797 29.700 0.014 0.000 0.736 244 E HN 0.497 nan 8.360 nan 0.000 0.478 245 S N -0.183 115.542 115.700 0.041 0.000 2.481 245 S HA -0.050 4.416 4.470 -0.007 0.000 0.231 245 S C 1.095 175.728 174.600 0.054 0.000 0.996 245 S CA -0.069 58.157 58.200 0.042 0.000 0.942 245 S CB -0.068 63.158 63.200 0.045 0.000 0.768 245 S HN 0.237 nan 8.310 nan 0.000 0.520 246 L N 2.555 123.821 121.223 0.071 0.000 2.485 246 L HA 0.156 4.492 4.340 -0.007 0.000 0.279 246 L C 1.609 178.525 176.870 0.077 0.000 1.124 246 L CA -0.017 54.878 54.840 0.092 0.000 0.888 246 L CB 0.898 43.029 42.059 0.119 0.000 1.217 246 L HN 0.476 nan 8.230 nan 0.000 0.464 247 Q N 4.256 124.106 119.800 0.084 0.000 2.020 247 Q HA -0.141 4.195 4.340 -0.007 0.000 0.202 247 Q C -0.490 175.463 176.000 -0.080 0.000 0.982 247 Q CA 1.610 57.421 55.803 0.014 0.000 0.838 247 Q CB 0.117 28.899 28.738 0.074 0.000 0.899 247 Q HN 0.600 nan 8.270 nan 0.000 0.423 248 Y N 1.296 121.616 120.300 0.034 0.000 2.331 248 Y HA 0.358 4.904 4.550 -0.007 0.000 0.338 248 Y C -1.934 173.989 175.900 0.038 0.000 0.992 248 Y CA -2.978 55.141 58.100 0.031 0.000 1.121 248 Y CB 1.126 39.595 38.460 0.014 0.000 1.184 248 Y HN 0.242 nan 8.280 nan 0.000 0.469 249 P HA -0.049 nan 4.420 nan 0.000 0.266 249 P C -0.831 176.498 177.300 0.047 0.000 1.193 249 P CA -0.228 62.919 63.100 0.080 0.000 0.770 249 P CB 1.033 32.740 31.700 0.013 0.000 0.836 250 K N 0.990 121.404 120.400 0.023 0.000 2.143 250 K HA 0.322 4.638 4.320 -0.007 0.000 0.272 250 K C -0.617 175.953 176.600 -0.050 0.000 1.001 250 K CA -0.420 55.876 56.287 0.015 0.000 0.915 250 K CB 0.519 33.056 32.500 0.061 0.000 1.047 250 K HN 0.301 nan 8.250 nan 0.000 0.458 251 T N 3.325 117.832 114.554 -0.078 0.000 2.743 251 T HA 0.226 4.572 4.350 -0.007 0.000 0.292 251 T C -0.511 174.074 174.700 -0.192 0.000 0.972 251 T CA -0.685 61.332 62.100 -0.139 0.000 0.967 251 T CB 0.967 69.764 68.868 -0.117 0.000 0.926 251 T HN 0.307 nan 8.240 nan 0.000 0.459 252 V N 5.267 124.978 119.914 -0.338 0.000 2.546 252 V HA 0.433 4.549 4.120 -0.007 0.000 0.284 252 V C 0.442 176.259 176.094 -0.461 0.000 1.050 252 V CA -0.555 61.496 62.300 -0.416 0.000 0.981 252 V CB 0.905 32.383 31.823 -0.575 0.000 0.990 252 V HN 0.729 nan 8.190 nan 0.000 0.474 253 R N 3.349 123.708 120.500 -0.235 0.000 2.483 253 R HA 0.683 5.019 4.340 -0.007 0.000 0.303 253 R C -1.683 174.598 176.300 -0.033 0.000 0.987 253 R CA -0.502 55.504 56.100 -0.156 0.000 0.881 253 R CB 2.146 32.388 30.300 -0.096 0.000 1.177 253 R HN 0.526 nan 8.270 nan 0.000 0.451 254 V N 4.068 123.966 119.914 -0.027 0.000 2.531 254 V HA 0.358 4.474 4.120 -0.007 0.000 0.301 254 V C -2.324 173.825 176.094 0.092 0.000 1.034 254 V CA -2.539 59.821 62.300 0.101 0.000 0.865 254 V CB 2.067 33.930 31.823 0.067 0.000 0.995 254 V HN 0.596 nan 8.190 nan 0.000 0.424 255 P HA 0.149 nan 4.420 nan 0.000 0.265 255 P C -1.260 176.142 177.300 0.170 0.000 1.222 255 P CA 0.429 63.637 63.100 0.180 0.000 0.767 255 P CB -0.233 31.619 31.700 0.254 0.000 0.801 256 Y N 6.303 126.577 120.300 -0.043 0.000 2.317 256 Y HA 0.368 4.914 4.550 -0.007 0.000 0.325 256 Y C -2.597 173.270 175.900 -0.055 0.000 1.066 256 Y CA -2.783 55.231 58.100 -0.143 0.000 1.203 256 Y CB 2.064 40.324 38.460 -0.333 0.000 1.127 256 Y HN 0.289 nan 8.280 nan 0.000 0.451 257 P HA 0.208 nan 4.420 nan 0.000 0.286 257 P C -0.987 176.363 177.300 0.083 0.000 1.321 257 P CA -0.124 63.015 63.100 0.064 0.000 0.790 257 P CB 1.179 32.904 31.700 0.042 0.000 0.897 258 K N 2.049 122.587 120.400 0.230 0.000 2.120 258 K HA 0.480 4.796 4.320 -0.007 0.000 0.245 258 K C 0.612 177.316 176.600 0.173 0.000 1.024 258 K CA -0.671 55.772 56.287 0.259 0.000 0.906 258 K CB 0.465 33.127 32.500 0.271 0.000 1.051 258 K HN 0.446 nan 8.250 nan 0.000 0.491 259 A N 0.728 123.675 122.820 0.212 0.000 2.566 259 A HA 0.276 4.592 4.320 -0.007 0.000 0.245 259 A C 1.212 178.843 177.584 0.077 0.000 1.056 259 A CA 1.011 53.160 52.037 0.187 0.000 0.757 259 A CB -1.135 18.058 19.000 0.323 0.000 0.979 259 A HN 0.901 nan 8.150 nan 0.000 0.508 260 G N 0.901 109.731 108.800 0.050 0.000 2.234 260 G HA2 0.099 4.055 3.960 -0.007 0.000 0.260 260 G HA3 0.099 4.055 3.960 -0.007 0.000 0.260 260 G C 0.694 175.608 174.900 0.023 0.000 0.987 260 G CA 0.786 45.887 45.100 0.002 0.000 0.625 260 G HN 2.188 nan 8.290 nan 0.000 0.532 261 A N -0.250 122.601 122.820 0.051 0.000 2.259 261 A HA 0.749 5.065 4.320 -0.007 0.000 0.278 261 A C 0.850 178.466 177.584 0.053 0.000 1.107 261 A CA 0.303 52.372 52.037 0.054 0.000 0.828 261 A CB 0.678 19.724 19.000 0.076 0.000 1.111 261 A HN 1.173 nan 8.150 nan 0.000 0.498 262 V N 2.485 122.431 119.914 0.053 0.000 2.493 262 V HA 0.002 4.118 4.120 -0.007 0.000 0.292 262 V C 0.373 176.511 176.094 0.074 0.000 1.016 262 V CA -0.037 62.295 62.300 0.054 0.000 1.097 262 V CB -0.432 31.423 31.823 0.054 0.000 0.947 262 V HN 0.772 nan 8.190 nan 0.000 0.479 263 N N 6.633 125.376 118.700 0.070 0.000 2.493 263 N HA 0.414 5.150 4.740 -0.007 0.000 0.275 263 N C -2.279 173.314 175.510 0.138 0.000 1.186 263 N CA -1.502 51.612 53.050 0.107 0.000 0.978 263 N CB 1.021 39.560 38.487 0.087 0.000 1.184 263 N HN 0.395 nan 8.380 nan 0.000 0.487 264 P HA 0.056 nan 4.420 nan 0.000 0.270 264 P C -0.409 177.047 177.300 0.261 0.000 1.223 264 P CA -0.057 63.204 63.100 0.269 0.000 0.785 264 P CB 0.318 32.239 31.700 0.369 0.000 0.923 265 T N -1.950 112.739 114.554 0.226 0.000 2.950 265 T HA 0.597 4.943 4.350 -0.007 0.000 0.288 265 T C -0.396 174.425 174.700 0.202 0.000 1.035 265 T CA -0.892 61.295 62.100 0.145 0.000 1.028 265 T CB 1.543 70.452 68.868 0.069 0.000 1.109 265 T HN 0.322 nan 8.240 nan 0.000 0.514 266 V N 0.561 120.564 119.914 0.148 0.000 2.760 266 V HA 0.708 4.824 4.120 -0.007 0.000 0.309 266 V C -1.383 174.791 176.094 0.133 0.000 1.077 266 V CA -0.797 61.575 62.300 0.120 0.000 0.910 266 V CB 1.958 33.909 31.823 0.213 0.000 1.008 266 V HN 1.019 nan 8.190 nan 0.000 0.424 267 K N 4.648 125.062 120.400 0.022 0.000 2.395 267 K HA 0.612 4.928 4.320 -0.007 0.000 0.247 267 K C -1.865 174.631 176.600 -0.173 0.000 0.973 267 K CA -0.559 55.688 56.287 -0.068 0.000 0.828 267 K CB 2.768 35.199 32.500 -0.116 0.000 1.272 267 K HN 0.542 nan 8.250 nan 0.000 0.439 268 F N 1.978 121.581 119.950 -0.577 0.000 2.529 268 F HA 0.543 5.066 4.527 -0.007 0.000 0.320 268 F C -1.513 173.703 175.800 -0.974 0.000 1.118 268 F CA -0.747 56.903 58.000 -0.584 0.000 0.915 268 F CB 0.897 39.732 39.000 -0.275 0.000 1.161 268 F HN 0.372 nan 8.300 nan 0.000 0.445 269 F N 4.079 123.277 119.950 -1.254 0.000 2.588 269 F HA 0.758 5.281 4.527 -0.007 0.000 0.314 269 F C -0.957 174.166 175.800 -1.129 0.000 1.069 269 F CA -1.240 56.126 58.000 -1.058 0.000 0.931 269 F CB 2.109 40.389 39.000 -1.200 0.000 1.260 269 F HN 0.108 nan 8.300 nan 0.000 0.465 270 V N 2.786 122.463 119.914 -0.396 0.000 2.577 270 V HA 0.580 4.696 4.120 -0.007 0.000 0.303 270 V C -1.029 175.161 176.094 0.160 0.000 1.042 270 V CA -0.809 61.364 62.300 -0.212 0.000 0.872 270 V CB 1.834 33.339 31.823 -0.530 0.000 0.998 270 V HN 0.619 nan 8.190 nan 0.000 0.423 271 V N 3.905 123.978 119.914 0.265 0.000 2.715 271 V HA 0.585 4.701 4.120 -0.007 0.000 0.310 271 V C -0.366 175.953 176.094 0.374 0.000 1.054 271 V CA -0.619 61.865 62.300 0.307 0.000 0.928 271 V CB 2.217 34.166 31.823 0.209 0.000 1.007 271 V HN 0.930 nan 8.190 nan 0.000 0.437 272 N N 3.079 121.962 118.700 0.304 0.000 2.437 272 N HA 0.153 4.889 4.740 -0.007 0.000 0.243 272 N C 1.010 176.502 175.510 -0.029 0.000 1.041 272 N CA 0.526 53.628 53.050 0.087 0.000 0.940 272 N CB 1.657 40.177 38.487 0.055 0.000 1.133 272 N HN 0.885 nan 8.380 nan 0.000 0.506 273 T N -0.427 114.097 114.554 -0.050 0.000 3.055 273 T HA -0.002 4.344 4.350 -0.007 0.000 0.265 273 T C 0.824 175.460 174.700 -0.106 0.000 1.111 273 T CA 0.680 62.758 62.100 -0.037 0.000 1.118 273 T CB 0.108 69.058 68.868 0.137 0.000 0.909 273 T HN 0.273 nan 8.240 nan 0.000 0.501 274 D N 2.119 122.432 120.400 -0.145 0.000 2.348 274 D HA 0.006 4.642 4.640 -0.007 0.000 0.216 274 D C 1.140 177.367 176.300 -0.122 0.000 0.970 274 D CA 1.026 54.944 54.000 -0.137 0.000 0.889 274 D CB 0.086 40.787 40.800 -0.164 0.000 0.912 274 D HN 0.673 nan 8.370 nan 0.000 0.524 275 S N 0.074 115.699 115.700 -0.124 0.000 2.740 275 S HA 0.220 4.686 4.470 -0.007 0.000 0.244 275 S C -0.203 174.329 174.600 -0.114 0.000 1.101 275 S CA -0.741 57.404 58.200 -0.091 0.000 1.123 275 S CB 0.184 63.361 63.200 -0.038 0.000 1.012 275 S HN -0.172 nan 8.310 nan 0.000 0.491 276 L N 2.531 123.605 121.223 -0.248 0.000 2.319 276 L HA 0.547 4.883 4.340 -0.007 0.000 0.280 276 L C 0.665 177.399 176.870 -0.228 0.000 1.099 276 L CA 0.106 54.748 54.840 -0.329 0.000 0.828 276 L CB 0.935 42.548 42.059 -0.743 0.000 1.150 276 L HN 0.511 nan 8.230 nan 0.000 0.442 277 S N 1.335 117.026 115.700 -0.014 0.000 2.585 277 S HA 0.343 4.808 4.470 -0.007 0.000 0.277 277 S C 1.135 175.879 174.600 0.240 0.000 1.241 277 S CA -0.427 57.833 58.200 0.101 0.000 1.041 277 S CB 1.091 64.336 63.200 0.076 0.000 0.987 277 S HN 0.651 nan 8.310 nan 0.000 0.512 278 S N 2.342 118.191 115.700 0.249 0.000 2.446 278 S HA -0.014 4.452 4.470 -0.007 0.000 0.225 278 S C 1.632 176.318 174.600 0.143 0.000 1.016 278 S CA 0.567 58.900 58.200 0.222 0.000 0.943 278 S CB -0.026 63.269 63.200 0.158 0.000 0.786 278 S HN 0.616 nan 8.310 nan 0.000 0.508 279 V N 1.827 121.807 119.914 0.109 0.000 2.951 279 V HA 0.069 4.185 4.120 -0.007 0.000 0.255 279 V C 1.063 177.196 176.094 0.064 0.000 1.088 279 V CA 1.029 63.373 62.300 0.073 0.000 1.109 279 V CB -0.837 31.019 31.823 0.055 0.000 0.724 279 V HN 0.603 nan 8.190 nan 0.000 0.471 280 T N -1.979 112.624 114.554 0.081 0.000 2.893 280 T HA 0.434 4.780 4.350 -0.007 0.000 0.291 280 T C -0.507 174.250 174.700 0.096 0.000 1.028 280 T CA -0.787 61.350 62.100 0.062 0.000 0.995 280 T CB 1.797 70.693 68.868 0.047 0.000 1.051 280 T HN 0.010 nan 8.240 nan 0.000 0.470 281 N N 1.531 120.271 118.700 0.067 0.000 2.483 281 N HA 0.378 5.114 4.740 -0.007 0.000 0.264 281 N C 0.488 176.074 175.510 0.127 0.000 1.197 281 N CA -0.009 53.114 53.050 0.121 0.000 0.927 281 N CB 0.858 39.349 38.487 0.007 0.000 1.065 281 N HN 1.007 nan 8.380 nan 0.000 0.461 282 A N 2.009 124.930 122.820 0.168 0.000 2.587 282 A HA 0.052 4.368 4.320 -0.007 0.000 0.233 282 A C 0.739 178.384 177.584 0.102 0.000 1.049 282 A CA 0.337 52.440 52.037 0.111 0.000 0.754 282 A CB -0.062 18.989 19.000 0.084 0.000 0.977 282 A HN 0.558 nan 8.150 nan 0.000 0.509 283 T N 2.252 116.865 114.554 0.100 0.000 2.853 283 T HA 0.481 4.827 4.350 -0.007 0.000 0.317 283 T C -0.141 174.649 174.700 0.150 0.000 1.059 283 T CA -0.363 61.805 62.100 0.113 0.000 0.954 283 T CB -0.367 68.567 68.868 0.111 0.000 0.994 283 T HN 0.551 nan 8.240 nan 0.000 0.479 284 S N 5.896 121.677 115.700 0.135 0.000 2.513 284 S HA 0.474 4.940 4.470 -0.007 0.000 0.276 284 S C 0.215 174.959 174.600 0.241 0.000 1.254 284 S CA -0.818 57.487 58.200 0.175 0.000 1.053 284 S CB 0.295 63.554 63.200 0.098 0.000 0.958 284 S HN 0.651 nan 8.310 nan 0.000 0.491 285 I N 3.372 124.105 120.570 0.272 0.000 2.325 285 I HA 0.237 4.403 4.170 -0.007 0.000 0.291 285 I C 0.653 176.882 176.117 0.185 0.000 1.019 285 I CA -0.241 61.221 61.300 0.271 0.000 1.302 285 I CB 0.702 38.933 38.000 0.386 0.000 1.401 285 I HN 0.681 nan 8.210 nan 0.000 0.485 286 Q N 6.137 126.030 119.800 0.154 0.000 2.352 286 Q HA 0.396 4.732 4.340 -0.007 0.000 0.260 286 Q C -1.004 174.927 176.000 -0.114 0.000 0.976 286 Q CA -0.175 55.523 55.803 -0.175 0.000 0.881 286 Q CB 1.042 29.648 28.738 -0.219 0.000 1.235 286 Q HN 0.554 nan 8.270 nan 0.000 0.419 287 I N 4.032 124.506 120.570 -0.159 0.000 2.382 287 I HA 0.201 4.367 4.170 -0.007 0.000 0.285 287 I C 0.243 176.342 176.117 -0.030 0.000 1.007 287 I CA -0.769 60.516 61.300 -0.025 0.000 1.142 287 I CB 1.522 39.547 38.000 0.042 0.000 1.289 287 I HN 0.680 nan 8.210 nan 0.000 0.453 288 T N 2.894 117.396 114.554 -0.087 0.000 2.899 288 T HA 0.605 4.951 4.350 -0.007 0.000 0.295 288 T C 0.384 174.900 174.700 -0.306 0.000 1.033 288 T CA -0.802 61.189 62.100 -0.182 0.000 1.084 288 T CB 1.511 70.275 68.868 -0.172 0.000 0.979 288 T HN 0.590 nan 8.240 nan 0.000 0.532 289 A N 3.552 125.964 122.820 -0.681 0.000 2.386 289 A HA 0.580 4.896 4.320 -0.007 0.000 0.248 289 A C -1.875 175.288 177.584 -0.702 0.000 1.082 289 A CA -1.606 49.682 52.037 -1.249 0.000 0.789 289 A CB -0.610 17.183 19.000 -2.012 0.000 1.025 289 A HN 0.809 nan 8.150 nan 0.000 0.490 290 P HA 0.144 nan 4.420 nan 0.000 0.270 290 P C 0.813 177.929 177.300 -0.307 0.000 1.223 290 P CA 0.541 63.453 63.100 -0.315 0.000 0.785 290 P CB 0.715 32.301 31.700 -0.191 0.000 0.923 291 A N 2.528 125.227 122.820 -0.202 0.000 1.958 291 A HA -0.228 4.088 4.320 -0.007 0.000 0.221 291 A C 2.172 179.657 177.584 -0.164 0.000 1.178 291 A CA 2.561 54.496 52.037 -0.171 0.000 0.642 291 A CB -1.822 17.108 19.000 -0.116 0.000 0.816 291 A HN 0.678 nan 8.150 nan 0.000 0.453 292 S N -1.515 114.109 115.700 -0.128 0.000 2.474 292 S HA -0.025 4.441 4.470 -0.007 0.000 0.235 292 S C 1.643 176.173 174.600 -0.118 0.000 0.997 292 S CA 1.390 59.535 58.200 -0.091 0.000 0.949 292 S CB -0.220 62.994 63.200 0.023 0.000 0.766 292 S HN 0.440 nan 8.310 nan 0.000 0.517 293 M N 0.468 119.928 119.600 -0.234 0.000 2.615 293 M HA 0.370 4.846 4.480 -0.007 0.000 0.262 293 M C 1.816 177.798 176.300 -0.531 0.000 1.198 293 M CA 0.564 55.639 55.300 -0.374 0.000 1.165 293 M CB -0.851 31.398 32.600 -0.585 0.000 1.310 293 M HN 0.323 nan 8.290 nan 0.000 0.494 294 L N -0.176 120.768 121.223 -0.465 0.000 2.291 294 L HA -0.112 4.224 4.340 -0.007 0.000 0.214 294 L C 2.349 179.140 176.870 -0.132 0.000 1.120 294 L CA 0.293 54.943 54.840 -0.317 0.000 0.799 294 L CB -0.605 41.294 42.059 -0.267 0.000 0.925 294 L HN 0.155 nan 8.230 nan 0.000 0.446 295 I N -0.141 120.352 120.570 -0.128 0.000 2.315 295 I HA -0.139 4.027 4.170 -0.007 0.000 0.251 295 I C 1.178 177.270 176.117 -0.041 0.000 1.125 295 I CA 1.282 62.534 61.300 -0.080 0.000 1.392 295 I CB -0.218 37.728 38.000 -0.090 0.000 1.065 295 I HN 0.167 nan 8.210 nan 0.000 0.424 296 G N -1.830 106.962 108.800 -0.013 0.000 2.911 296 G HA2 0.281 4.236 3.960 -0.007 0.000 0.299 296 G HA3 0.281 4.236 3.960 -0.007 0.000 0.299 296 G C -1.523 173.432 174.900 0.092 0.000 1.283 296 G CA -0.561 44.549 45.100 0.018 0.000 0.805 296 G HN -0.058 nan 8.290 nan 0.000 0.548 297 D N 1.247 121.654 120.400 0.011 0.000 2.424 297 D HA 0.426 5.062 4.640 -0.007 0.000 0.244 297 D C 0.289 176.531 176.300 -0.097 0.000 1.134 297 D CA 0.650 54.597 54.000 -0.088 0.000 0.881 297 D CB 0.507 41.221 40.800 -0.143 0.000 1.191 297 D HN 0.531 nan 8.370 nan 0.000 0.445 298 H N -0.647 118.261 119.070 -0.270 0.000 2.960 298 H HA 0.452 5.004 4.556 -0.007 0.000 0.323 298 H C -1.363 173.793 175.328 -0.287 0.000 1.326 298 H CA -0.802 55.095 56.048 -0.250 0.000 1.124 298 H CB 0.368 30.115 29.762 -0.024 0.000 1.853 298 H HN 0.310 nan 8.280 nan 0.000 0.536 299 Y N -0.173 120.373 120.300 0.411 0.000 2.576 299 Y HA 0.418 4.964 4.550 -0.007 0.000 0.346 299 Y C -0.437 175.800 175.900 0.562 0.000 1.018 299 Y CA -1.186 57.183 58.100 0.448 0.000 1.050 299 Y CB 1.828 40.383 38.460 0.159 0.000 1.280 299 Y HN 0.456 nan 8.280 nan 0.000 0.474 300 L N 2.553 124.171 121.223 0.658 0.000 2.276 300 L HA 0.406 4.742 4.340 -0.007 0.000 0.286 300 L C 0.387 177.305 176.870 0.079 0.000 1.061 300 L CA -0.254 54.595 54.840 0.015 0.000 0.807 300 L CB 0.515 42.497 42.059 -0.128 0.000 1.177 300 L HN 1.003 nan 8.230 nan 0.000 0.429 301 C N 0.700 119.888 119.300 -0.186 0.000 3.559 301 C HA 0.596 5.052 4.460 -0.007 0.000 0.314 301 C C 0.167 174.991 174.990 -0.278 0.000 1.419 301 C CA -0.292 58.538 59.018 -0.314 0.000 1.775 301 C CB -1.012 26.613 27.740 -0.191 0.000 2.430 301 C HN 0.862 nan 8.230 nan 0.000 0.686 302 D N -0.117 120.148 120.400 -0.224 0.000 2.803 302 D HA 0.592 5.228 4.640 -0.007 0.000 0.218 302 D C -1.502 174.526 176.300 -0.453 0.000 1.245 302 D CA -0.158 53.732 54.000 -0.183 0.000 0.821 302 D CB 2.301 42.976 40.800 -0.208 0.000 1.626 302 D HN 0.026 nan 8.370 nan 0.000 0.487 303 V N 2.480 122.059 119.914 -0.560 0.000 2.577 303 V HA 0.687 4.803 4.120 -0.007 0.000 0.303 303 V C -0.605 175.107 176.094 -0.637 0.000 1.042 303 V CA -0.496 61.225 62.300 -0.965 0.000 0.872 303 V CB 1.979 32.631 31.823 -1.952 0.000 0.998 303 V HN 0.729 nan 8.190 nan 0.000 0.423 304 T N 3.266 117.526 114.554 -0.491 0.000 3.011 304 T HA 0.364 4.710 4.350 -0.007 0.000 0.303 304 T C -0.946 173.603 174.700 -0.252 0.000 0.997 304 T CA -0.477 61.500 62.100 -0.206 0.000 1.007 304 T CB 0.889 69.719 68.868 -0.063 0.000 1.017 304 T HN 0.518 nan 8.240 nan 0.000 0.443 305 W N 2.015 123.250 121.300 -0.108 0.000 2.216 305 W HA 0.493 5.148 4.660 -0.007 0.000 0.326 305 W C 1.119 177.506 176.519 -0.219 0.000 1.319 305 W CA -0.319 56.955 57.345 -0.119 0.000 1.213 305 W CB 0.586 30.062 29.460 0.026 0.000 1.171 305 W HN 0.857 nan 8.180 nan 0.000 0.557 306 A N 1.911 124.592 122.820 -0.231 0.000 1.963 306 A HA 0.209 4.525 4.320 -0.007 0.000 0.207 306 A C 0.880 178.391 177.584 -0.120 0.000 1.243 306 A CA 1.460 53.117 52.037 -0.633 0.000 0.728 306 A CB -0.339 17.774 19.000 -1.478 0.000 0.895 306 A HN 0.526 nan 8.150 nan 0.000 0.467 307 T N -5.465 109.125 114.554 0.059 0.000 2.654 307 T HA 0.348 4.694 4.350 -0.007 0.000 0.289 307 T C 0.195 175.060 174.700 0.274 0.000 1.062 307 T CA -0.382 61.809 62.100 0.152 0.000 1.041 307 T CB 0.650 69.590 68.868 0.120 0.000 1.417 307 T HN -0.042 nan 8.240 nan 0.000 0.510 308 Q N 0.293 120.224 119.800 0.219 0.000 2.226 308 Q HA 0.020 4.356 4.340 -0.007 0.000 0.204 308 Q C 1.011 177.264 176.000 0.421 0.000 0.975 308 Q CA 1.521 57.467 55.803 0.238 0.000 0.866 308 Q CB -0.119 28.718 28.738 0.165 0.000 0.915 308 Q HN 0.823 nan 8.270 nan 0.000 0.440 309 E N -0.319 120.115 120.200 0.389 0.000 2.676 309 E HA 0.162 4.508 4.350 -0.007 0.000 0.222 309 E C -0.118 176.709 176.600 0.379 0.000 0.968 309 E CA -0.180 56.437 56.400 0.363 0.000 1.090 309 E CB 1.050 30.880 29.700 0.217 0.000 1.066 309 E HN -0.021 nan 8.360 nan 0.000 0.496 310 R N 1.650 122.376 120.500 0.376 0.000 2.513 310 R HA 0.519 4.855 4.340 -0.007 0.000 0.301 310 R C -1.609 174.668 176.300 -0.038 0.000 0.968 310 R CA -0.415 55.792 56.100 0.178 0.000 0.872 310 R CB 1.224 31.537 30.300 0.022 0.000 1.177 310 R HN 0.032 nan 8.270 nan 0.000 0.444 311 I N 3.142 123.546 120.570 -0.277 0.000 2.569 311 I HA 0.415 4.581 4.170 -0.007 0.000 0.296 311 I C -0.963 174.838 176.117 -0.526 0.000 1.028 311 I CA -0.537 60.336 61.300 -0.711 0.000 1.082 311 I CB 2.211 39.380 38.000 -1.385 0.000 1.264 311 I HN 0.847 nan 8.210 nan 0.000 0.429 312 S N 7.835 123.214 115.700 -0.534 0.000 2.478 312 S HA 0.689 5.155 4.470 -0.007 0.000 0.312 312 S C -1.074 173.207 174.600 -0.531 0.000 1.094 312 S CA -0.820 57.142 58.200 -0.396 0.000 1.081 312 S CB 1.445 64.530 63.200 -0.192 0.000 1.007 312 S HN 0.402 nan 8.310 nan 0.000 0.475 313 L N 2.548 123.446 121.223 -0.542 0.000 2.334 313 L HA 0.591 4.927 4.340 -0.007 0.000 0.273 313 L C 0.105 176.630 176.870 -0.574 0.000 1.013 313 L CA -0.447 53.952 54.840 -0.734 0.000 0.816 313 L CB 1.243 42.712 42.059 -0.983 0.000 1.278 313 L HN 0.833 nan 8.230 nan 0.000 0.431 314 Q N 1.240 120.659 119.800 -0.635 0.000 2.333 314 Q HA 0.470 4.805 4.340 -0.007 0.000 0.267 314 Q C -1.597 174.106 176.000 -0.496 0.000 1.012 314 Q CA -0.427 55.127 55.803 -0.415 0.000 0.824 314 Q CB 2.350 30.921 28.738 -0.279 0.000 1.290 314 Q HN 0.482 nan 8.270 nan 0.000 0.449 315 W N 2.388 123.634 121.300 -0.091 0.000 2.706 315 W HA 0.648 5.304 4.660 -0.007 0.000 0.346 315 W C -0.780 175.761 176.519 0.036 0.000 1.071 315 W CA -0.575 56.767 57.345 -0.005 0.000 1.206 315 W CB 1.332 30.771 29.460 -0.035 0.000 1.413 315 W HN 0.286 nan 8.180 nan 0.000 0.542 316 L N 3.261 124.717 121.223 0.389 0.000 2.409 316 L HA 0.510 4.846 4.340 -0.007 0.000 0.272 316 L C 0.158 177.229 176.870 0.334 0.000 0.980 316 L CA -1.043 53.980 54.840 0.304 0.000 0.826 316 L CB 1.386 43.609 42.059 0.273 0.000 1.268 316 L HN 0.488 nan 8.230 nan 0.000 0.407 317 R N 2.221 122.879 120.500 0.264 0.000 2.734 317 R HA 0.044 4.380 4.340 -0.007 0.000 0.266 317 R C 0.980 177.360 176.300 0.133 0.000 1.044 317 R CA -0.084 56.123 56.100 0.179 0.000 1.128 317 R CB 0.767 31.162 30.300 0.158 0.000 1.010 317 R HN 0.624 nan 8.270 nan 0.000 0.461 318 R N 1.711 122.205 120.500 -0.010 0.000 2.105 318 R HA -0.101 4.235 4.340 -0.007 0.000 0.239 318 R C 0.390 176.751 176.300 0.102 0.000 1.135 318 R CA 1.291 57.379 56.100 -0.019 0.000 0.967 318 R CB -0.083 30.149 30.300 -0.113 0.000 0.861 318 R HN 0.493 nan 8.270 nan 0.000 0.442 319 I N 2.449 123.061 120.570 0.071 0.000 2.389 319 I HA -0.014 4.152 4.170 -0.007 0.000 0.295 319 I C 0.356 176.538 176.117 0.108 0.000 1.117 319 I CA 0.361 61.704 61.300 0.071 0.000 1.317 319 I CB 1.219 39.247 38.000 0.047 0.000 1.431 319 I HN 0.194 nan 8.210 nan 0.000 0.521 320 Q N 4.939 124.799 119.800 0.099 0.000 2.292 320 Q HA 0.001 4.337 4.340 -0.007 0.000 0.247 320 Q C 0.557 176.638 176.000 0.135 0.000 0.911 320 Q CA -0.062 55.813 55.803 0.121 0.000 0.948 320 Q CB -0.345 28.423 28.738 0.051 0.000 1.093 320 Q HN 0.686 nan 8.270 nan 0.000 0.428 321 N N -0.673 118.109 118.700 0.137 0.000 2.214 321 N HA -0.039 4.697 4.740 -0.007 0.000 0.214 321 N C -1.019 174.600 175.510 0.181 0.000 1.132 321 N CA -0.174 52.949 53.050 0.121 0.000 0.856 321 N CB 0.304 38.839 38.487 0.080 0.000 1.020 321 N HN 0.189 nan 8.380 nan 0.000 0.509 322 Y N 0.946 121.272 120.300 0.044 0.000 2.362 322 Y HA 0.516 5.062 4.550 -0.007 0.000 0.326 322 Y C -1.164 174.770 175.900 0.057 0.000 1.083 322 Y CA -0.860 57.263 58.100 0.039 0.000 1.073 322 Y CB 1.410 39.885 38.460 0.026 0.000 1.211 322 Y HN 0.166 nan 8.280 nan 0.000 0.433 323 S N 3.977 119.505 115.700 -0.287 0.000 2.595 323 S HA 0.938 5.404 4.470 -0.007 0.000 0.281 323 S C -1.993 172.450 174.600 -0.263 0.000 1.117 323 S CA -0.754 57.363 58.200 -0.138 0.000 0.873 323 S CB 2.015 65.190 63.200 -0.042 0.000 1.108 323 S HN 0.480 nan 8.310 nan 0.000 0.477 324 V N 2.311 122.183 119.914 -0.070 0.000 2.686 324 V HA 0.542 4.658 4.120 -0.007 0.000 0.306 324 V C -0.485 175.614 176.094 0.008 0.000 1.065 324 V CA -0.654 61.618 62.300 -0.045 0.000 0.894 324 V CB 1.720 33.556 31.823 0.022 0.000 1.004 324 V HN 1.064 nan 8.190 nan 0.000 0.424 325 M N 3.712 123.287 119.600 -0.042 0.000 2.180 325 M HA 0.595 5.071 4.480 -0.007 0.000 0.350 325 M C -1.256 175.030 176.300 -0.022 0.000 1.125 325 M CA -0.018 55.232 55.300 -0.083 0.000 1.031 325 M CB 1.187 33.673 32.600 -0.190 0.000 1.623 325 M HN 0.555 nan 8.290 nan 0.000 0.451 326 D N 5.407 125.787 120.400 -0.033 0.000 2.168 326 D HA 0.478 5.114 4.640 -0.007 0.000 0.246 326 D C -0.988 175.269 176.300 -0.072 0.000 1.050 326 D CA -0.045 53.942 54.000 -0.021 0.000 0.857 326 D CB 1.834 42.648 40.800 0.024 0.000 1.169 326 D HN 0.676 nan 8.370 nan 0.000 0.453 327 I N 2.735 123.289 120.570 -0.025 0.000 2.354 327 I HA 0.232 4.398 4.170 -0.007 0.000 0.286 327 I C -0.393 175.714 176.117 -0.017 0.000 1.007 327 I CA -0.436 60.846 61.300 -0.031 0.000 1.167 327 I CB 0.975 39.012 38.000 0.061 0.000 1.320 327 I HN 0.168 nan 8.210 nan 0.000 0.458 328 c N 4.067 122.643 118.600 -0.039 0.000 2.382 328 c HA 0.547 5.112 4.570 -0.007 0.000 0.327 328 c C -0.222 173.987 174.090 0.198 0.000 1.250 328 c CA -0.678 55.690 56.329 0.065 0.000 1.707 328 c CB 0.850 43.388 42.510 0.047 0.000 2.272 328 c HN 0.575 nan 8.230 nan 0.000 0.506 329 D N 0.275 120.793 120.400 0.196 0.000 2.362 329 D HA 0.312 4.948 4.640 -0.007 0.000 0.247 329 D C -0.683 175.586 176.300 -0.051 0.000 1.050 329 D CA -0.234 53.843 54.000 0.129 0.000 0.839 329 D CB 0.922 41.744 40.800 0.035 0.000 1.283 329 D HN 0.562 nan 8.370 nan 0.000 0.477 330 Y N 1.800 121.738 120.300 -0.603 0.000 2.442 330 Y HA 0.135 4.681 4.550 -0.007 0.000 0.330 330 Y C 0.048 175.653 175.900 -0.493 0.000 1.129 330 Y CA 0.213 57.628 58.100 -1.141 0.000 1.365 330 Y CB 0.641 38.209 38.460 -1.487 0.000 1.233 330 Y HN 0.188 nan 8.280 nan 0.000 0.529 331 D N 5.922 125.735 120.400 -0.978 0.000 2.412 331 D HA 0.053 4.689 4.640 -0.007 0.000 0.224 331 D C 0.540 176.329 176.300 -0.852 0.000 1.093 331 D CA -0.075 53.536 54.000 -0.648 0.000 0.850 331 D CB 0.919 41.481 40.800 -0.397 0.000 1.046 331 D HN 0.914 nan 8.370 nan 0.000 0.507 332 E N 1.542 121.432 120.200 -0.517 0.000 2.333 332 E HA -0.159 4.187 4.350 -0.007 0.000 0.198 332 E C 1.402 177.901 176.600 -0.170 0.000 1.007 332 E CA 0.871 57.117 56.400 -0.256 0.000 0.845 332 E CB 0.422 30.121 29.700 -0.002 0.000 0.766 332 E HN 0.456 nan 8.360 nan 0.000 0.507 333 S N -1.736 113.855 115.700 -0.182 0.000 2.492 333 S HA 0.142 4.608 4.470 -0.007 0.000 0.218 333 S C 1.897 176.428 174.600 -0.115 0.000 1.016 333 S CA 0.103 58.238 58.200 -0.109 0.000 0.916 333 S CB 0.726 63.879 63.200 -0.078 0.000 0.791 333 S HN -0.025 nan 8.310 nan 0.000 0.513 334 S N 0.427 116.018 115.700 -0.182 0.000 2.468 334 S HA 0.463 4.929 4.470 -0.007 0.000 0.226 334 S C 1.591 176.111 174.600 -0.133 0.000 1.051 334 S CA 0.618 58.734 58.200 -0.140 0.000 0.943 334 S CB -0.025 63.088 63.200 -0.145 0.000 0.810 334 S HN 1.018 nan 8.310 nan 0.000 0.509 335 G N 1.618 110.256 108.800 -0.270 0.000 2.176 335 G HA2 -0.233 3.723 3.960 -0.007 0.000 0.253 335 G HA3 -0.233 3.723 3.960 -0.007 0.000 0.253 335 G C 0.112 174.964 174.900 -0.080 0.000 0.979 335 G CA 0.018 45.035 45.100 -0.139 0.000 0.641 335 G HN 0.426 nan 8.290 nan 0.000 0.530 336 R N -1.382 119.001 120.500 -0.196 0.000 2.691 336 R HA 0.622 4.957 4.340 -0.007 0.000 0.259 336 R C -0.783 175.412 176.300 -0.174 0.000 1.048 336 R CA -0.760 55.325 56.100 -0.025 0.000 1.086 336 R CB 0.833 31.143 30.300 0.018 0.000 1.166 336 R HN 0.146 nan 8.270 nan 0.000 0.526 337 W N 0.622 121.915 121.300 -0.012 0.000 2.478 337 W HA 0.358 5.014 4.660 -0.007 0.000 0.318 337 W C -0.379 176.114 176.519 -0.042 0.000 1.062 337 W CA -0.456 56.877 57.345 -0.019 0.000 1.210 337 W CB 1.019 30.475 29.460 -0.006 0.000 1.325 337 W HN 0.249 nan 8.180 nan 0.000 0.496 338 N N 2.067 120.843 118.700 0.128 0.000 2.392 338 N HA 0.364 5.100 4.740 -0.007 0.000 0.283 338 N C -1.413 174.133 175.510 0.061 0.000 1.003 338 N CA -0.583 52.504 53.050 0.061 0.000 0.892 338 N CB 1.276 39.762 38.487 -0.002 0.000 1.193 338 N HN 0.240 nan 8.380 nan 0.000 0.487 339 c N 3.391 122.013 118.600 0.036 0.000 2.170 339 c HA 0.338 4.904 4.570 -0.007 0.000 0.339 339 c C 0.187 174.274 174.090 -0.005 0.000 1.056 339 c CA -0.992 55.346 56.329 0.015 0.000 1.535 339 c CB -1.676 40.835 42.510 0.003 0.000 1.785 339 c HN 0.489 nan 8.230 nan 0.000 0.440 340 L N 2.555 123.776 121.223 -0.003 0.000 2.628 340 L HA -0.018 4.318 4.340 -0.007 0.000 0.274 340 L C 1.583 178.436 176.870 -0.029 0.000 1.209 340 L CA 0.655 55.486 54.840 -0.015 0.000 0.930 340 L CB 0.159 42.214 42.059 -0.008 0.000 1.183 340 L HN 0.555 nan 8.230 nan 0.000 0.492 341 V N 4.018 123.910 119.914 -0.037 0.000 2.392 341 V HA -0.308 3.808 4.120 -0.007 0.000 0.249 341 V C 2.148 178.205 176.094 -0.062 0.000 1.059 341 V CA 1.981 64.252 62.300 -0.048 0.000 1.051 341 V CB -0.750 31.046 31.823 -0.044 0.000 0.658 341 V HN 1.014 nan 8.190 nan 0.000 0.455 342 A N -0.600 122.187 122.820 -0.054 0.000 2.248 342 A HA -0.074 4.241 4.320 -0.007 0.000 0.210 342 A C 1.990 179.520 177.584 -0.091 0.000 1.174 342 A CA 0.802 52.801 52.037 -0.064 0.000 0.750 342 A CB -0.321 18.655 19.000 -0.040 0.000 0.780 342 A HN 0.527 nan 8.150 nan 0.000 0.478 343 R N -0.341 120.107 120.500 -0.087 0.000 2.468 343 R HA 0.163 4.499 4.340 -0.007 0.000 0.280 343 R C -0.238 175.952 176.300 -0.183 0.000 0.963 343 R CA -0.113 55.932 56.100 -0.092 0.000 1.083 343 R CB 0.268 30.576 30.300 0.013 0.000 1.200 343 R HN 0.605 nan 8.270 nan 0.000 0.541 344 Q N 0.636 120.301 119.800 -0.224 0.000 2.354 344 Q HA 0.164 4.500 4.340 -0.007 0.000 0.244 344 Q C -0.519 175.219 176.000 -0.437 0.000 0.969 344 Q CA 0.242 55.922 55.803 -0.206 0.000 0.885 344 Q CB 1.048 29.720 28.738 -0.111 0.000 1.241 344 Q HN 0.191 nan 8.270 nan 0.000 0.461 345 H N 1.946 120.983 119.070 -0.056 0.000 2.823 345 H HA 0.354 4.906 4.556 -0.007 0.000 0.332 345 H C -0.744 174.513 175.328 -0.119 0.000 0.980 345 H CA -0.423 55.579 56.048 -0.076 0.000 1.286 345 H CB 0.878 30.559 29.762 -0.135 0.000 1.541 345 H HN 0.492 nan 8.280 nan 0.000 0.521 346 I N 2.180 122.740 120.570 -0.017 0.000 2.396 346 I HA 0.148 4.314 4.170 -0.007 0.000 0.292 346 I C 0.455 176.506 176.117 -0.110 0.000 0.999 346 I CA 0.031 61.244 61.300 -0.145 0.000 1.310 346 I CB 1.224 39.126 38.000 -0.163 0.000 1.404 346 I HN 0.462 nan 8.210 nan 0.000 0.496 347 E N 8.255 128.338 120.200 -0.194 0.000 2.244 347 E HA 0.557 4.903 4.350 -0.007 0.000 0.260 347 E C -1.261 175.242 176.600 -0.162 0.000 0.884 347 E CA -0.673 55.661 56.400 -0.111 0.000 0.777 347 E CB 1.503 31.163 29.700 -0.067 0.000 1.197 347 E HN 0.645 nan 8.360 nan 0.000 0.416 348 M N 1.272 120.821 119.600 -0.086 0.000 2.704 348 M HA 0.683 5.159 4.480 -0.007 0.000 0.284 348 M C -1.158 175.146 176.300 0.006 0.000 1.275 348 M CA -0.894 54.387 55.300 -0.032 0.000 0.811 348 M CB 2.320 34.942 32.600 0.036 0.000 1.741 348 M HN 0.238 nan 8.290 nan 0.000 0.458 349 S N -0.846 114.865 115.700 0.018 0.000 2.540 349 S HA 0.611 5.077 4.470 -0.007 0.000 0.275 349 S C 0.004 174.599 174.600 -0.008 0.000 1.123 349 S CA 0.083 58.275 58.200 -0.013 0.000 0.907 349 S CB 1.928 65.080 63.200 -0.080 0.000 1.081 349 S HN 0.945 nan 8.310 nan 0.000 0.476 350 T N -0.512 114.035 114.554 -0.012 0.000 3.015 350 T HA 0.086 4.432 4.350 -0.007 0.000 0.250 350 T C 1.572 176.253 174.700 -0.032 0.000 1.057 350 T CA 0.903 62.999 62.100 -0.008 0.000 1.066 350 T CB -0.456 68.415 68.868 0.006 0.000 0.959 350 T HN 0.719 nan 8.240 nan 0.000 0.488 351 T N -1.516 113.010 114.554 -0.047 0.000 3.065 351 T HA 0.586 4.932 4.350 -0.007 0.000 0.252 351 T C 1.118 175.654 174.700 -0.274 0.000 1.099 351 T CA 0.423 62.496 62.100 -0.046 0.000 1.063 351 T CB 0.237 69.153 68.868 0.080 0.000 0.948 351 T HN 0.639 nan 8.240 nan 0.000 0.506 352 G N 0.261 108.746 108.800 -0.524 0.000 2.562 352 G HA2 0.468 4.423 3.960 -0.007 0.000 0.190 352 G HA3 0.468 4.423 3.960 -0.007 0.000 0.190 352 G C -1.591 173.057 174.900 -0.420 0.000 1.196 352 G CA -0.568 44.009 45.100 -0.873 0.000 0.986 352 G HN 0.486 nan 8.290 nan 0.000 0.512 353 W N -0.328 120.710 121.300 -0.437 0.000 2.365 353 W HA 0.790 5.446 4.660 -0.006 0.000 0.410 353 W C -0.433 176.033 176.519 -0.088 0.000 1.634 353 W CA -1.268 55.957 57.345 -0.201 0.000 1.761 353 W CB 0.574 29.904 29.460 -0.216 0.000 1.485 353 W HN 0.291 nan 8.180 nan 0.000 0.706 354 V N 2.335 122.340 119.914 0.152 0.000 2.483 354 V HA 0.753 4.868 4.120 -0.007 0.000 0.295 354 V C 0.709 176.880 176.094 0.130 0.000 1.035 354 V CA 0.167 62.502 62.300 0.057 0.000 0.896 354 V CB 0.191 32.041 31.823 0.044 0.000 0.986 354 V HN 1.307 nan 8.190 nan 0.000 0.447 355 G N 4.861 113.691 108.800 0.051 0.000 2.828 355 G HA2 -0.200 3.756 3.960 -0.007 0.000 0.463 355 G HA3 -0.200 3.756 3.960 -0.007 0.000 0.463 355 G C 0.379 175.345 174.900 0.109 0.000 1.394 355 G CA 0.322 45.473 45.100 0.084 0.000 0.862 355 G HN 0.675 nan 8.290 nan 0.000 0.540 356 R N -1.008 119.552 120.500 0.099 0.000 2.062 356 R HA 0.151 4.487 4.340 -0.007 0.000 0.229 356 R C 2.025 178.252 176.300 -0.122 0.000 1.128 356 R CA 2.149 58.241 56.100 -0.012 0.000 0.960 356 R CB -0.082 30.214 30.300 -0.006 0.000 0.855 356 R HN 0.476 nan 8.270 nan 0.000 0.432 357 F N -0.915 119.178 119.950 0.238 0.000 2.819 357 F HA 0.247 4.770 4.527 -0.007 0.000 0.325 357 F C 0.302 176.137 175.800 0.058 0.000 1.041 357 F CA -0.499 57.590 58.000 0.148 0.000 1.184 357 F CB 0.741 39.815 39.000 0.124 0.000 1.019 357 F HN -0.137 nan 8.300 nan 0.000 0.590 358 R N -0.747 119.892 120.500 0.230 0.000 2.663 358 R HA 0.486 4.822 4.340 -0.007 0.000 0.267 358 R C -3.318 173.035 176.300 0.088 0.000 1.038 358 R CA -2.005 54.152 56.100 0.096 0.000 0.886 358 R CB 0.493 30.795 30.300 0.003 0.000 1.249 358 R HN -0.355 nan 8.270 nan 0.000 0.463 359 P HA -0.075 nan 4.420 nan 0.000 0.264 359 P C -0.325 176.991 177.300 0.026 0.000 1.179 359 P CA 0.227 63.339 63.100 0.020 0.000 0.763 359 P CB 0.698 32.381 31.700 -0.029 0.000 0.806 360 S N 1.624 117.353 115.700 0.047 0.000 2.593 360 S HA 0.093 4.559 4.470 -0.007 0.000 0.269 360 S C 0.199 174.816 174.600 0.029 0.000 1.334 360 S CA -0.654 57.591 58.200 0.076 0.000 1.015 360 S CB 0.052 63.322 63.200 0.115 0.000 0.912 360 S HN 0.448 nan 8.310 nan 0.000 0.541 361 E N 3.743 123.977 120.200 0.057 0.000 2.343 361 E HA 0.349 4.695 4.350 -0.007 0.000 0.269 361 E C -2.756 173.829 176.600 -0.026 0.000 1.047 361 E CA -2.008 54.378 56.400 -0.023 0.000 0.874 361 E CB 0.219 29.906 29.700 -0.022 0.000 1.033 361 E HN 0.271 nan 8.360 nan 0.000 0.409 362 P HA 0.231 nan 4.420 nan 0.000 0.279 362 P C -0.719 176.469 177.300 -0.187 0.000 1.252 362 P CA -0.274 62.685 63.100 -0.236 0.000 0.811 362 P CB 0.654 31.841 31.700 -0.855 0.000 1.035 363 H N 1.566 120.648 119.070 0.020 0.000 2.792 363 H HA 0.284 4.836 4.556 -0.006 0.000 0.298 363 H C -0.313 175.136 175.328 0.202 0.000 1.042 363 H CA -0.350 55.802 56.048 0.174 0.000 1.300 363 H CB 0.179 30.077 29.762 0.226 0.000 1.431 363 H HN 0.300 nan 8.280 nan 0.000 0.496 364 F N 1.964 122.082 119.950 0.280 0.000 2.418 364 F HA 0.026 4.549 4.527 -0.006 0.000 0.341 364 F C 1.656 177.633 175.800 0.294 0.000 1.120 364 F CA -0.349 57.813 58.000 0.271 0.000 1.232 364 F CB 0.855 39.952 39.000 0.162 0.000 1.175 364 F HN 0.364 nan 8.300 nan 0.000 0.569 365 T N 0.810 115.639 114.554 0.459 0.000 2.856 365 T HA 0.062 4.408 4.350 -0.007 0.000 0.306 365 T C 1.137 176.024 174.700 0.313 0.000 1.062 365 T CA -0.793 61.529 62.100 0.369 0.000 1.083 365 T CB 0.706 69.764 68.868 0.316 0.000 0.984 365 T HN 0.594 nan 8.240 nan 0.000 0.542 366 L N 1.603 122.968 121.223 0.237 0.000 2.021 366 L HA -0.133 4.203 4.340 -0.007 0.000 0.215 366 L C 2.178 179.151 176.870 0.172 0.000 1.074 366 L CA 2.634 57.587 54.840 0.188 0.000 0.760 366 L CB -1.108 41.039 42.059 0.146 0.000 0.889 366 L HN 0.965 nan 8.230 nan 0.000 0.433 367 D N -1.220 119.279 120.400 0.166 0.000 2.350 367 D HA 0.030 4.665 4.640 -0.007 0.000 0.216 367 D C 1.603 177.997 176.300 0.158 0.000 0.968 367 D CA 0.828 54.914 54.000 0.143 0.000 0.894 367 D CB -0.630 40.246 40.800 0.128 0.000 0.909 367 D HN 0.472 nan 8.370 nan 0.000 0.520 368 G N 0.272 109.204 108.800 0.220 0.000 2.179 368 G HA2 -0.353 3.602 3.960 -0.007 0.000 0.257 368 G HA3 -0.353 3.602 3.960 -0.007 0.000 0.257 368 G C 0.831 175.910 174.900 0.299 0.000 1.010 368 G CA 0.399 45.654 45.100 0.259 0.000 0.736 368 G HN 0.385 nan 8.290 nan 0.000 0.513 369 N N -0.286 118.564 118.700 0.249 0.000 2.353 369 N HA 0.165 4.901 4.740 -0.007 0.000 0.185 369 N C 0.566 176.174 175.510 0.163 0.000 1.098 369 N CA 0.960 54.126 53.050 0.194 0.000 0.872 369 N CB 0.473 39.039 38.487 0.131 0.000 0.970 369 N HN 0.414 nan 8.380 nan 0.000 0.467 370 S N -0.424 115.385 115.700 0.182 0.000 2.638 370 S HA 0.715 5.181 4.470 -0.007 0.000 0.274 370 S C -1.409 173.169 174.600 -0.036 0.000 1.157 370 S CA -0.752 57.383 58.200 -0.109 0.000 0.826 370 S CB 1.640 64.678 63.200 -0.271 0.000 1.139 370 S HN 0.206 nan 8.310 nan 0.000 0.474 371 F N -0.787 118.829 119.950 -0.556 0.000 2.693 371 F HA 0.748 5.271 4.527 -0.006 0.000 0.309 371 F C -2.108 173.383 175.800 -0.513 0.000 1.129 371 F CA -1.291 56.362 58.000 -0.578 0.000 0.948 371 F CB 0.579 38.901 39.000 -1.131 0.000 1.315 371 F HN 0.476 nan 8.300 nan 0.000 0.447 372 Y N 1.341 121.713 120.300 0.121 0.000 2.387 372 Y HA 0.692 5.237 4.550 -0.007 0.000 0.336 372 Y C -0.182 175.858 175.900 0.232 0.000 1.067 372 Y CA -0.752 57.426 58.100 0.130 0.000 1.114 372 Y CB 2.088 40.617 38.460 0.115 0.000 1.208 372 Y HN 0.735 nan 8.280 nan 0.000 0.458 373 K N 2.919 123.527 120.400 0.346 0.000 2.561 373 K HA 0.485 4.801 4.320 -0.007 0.000 0.254 373 K C -1.805 174.941 176.600 0.244 0.000 0.942 373 K CA -0.496 55.973 56.287 0.303 0.000 0.818 373 K CB 1.331 34.002 32.500 0.285 0.000 1.306 373 K HN 0.705 nan 8.250 nan 0.000 0.435 374 I N 6.628 127.315 120.570 0.195 0.000 2.452 374 I HA 0.231 4.397 4.170 -0.007 0.000 0.287 374 I C 0.251 176.464 176.117 0.160 0.000 1.079 374 I CA -0.167 61.228 61.300 0.158 0.000 1.387 374 I CB 0.145 38.218 38.000 0.121 0.000 1.404 374 I HN 0.497 nan 8.210 nan 0.000 0.522 375 I N 1.999 122.692 120.570 0.204 0.000 3.074 375 I HA 0.511 4.677 4.170 -0.007 0.000 0.310 375 I C -0.247 175.979 176.117 0.180 0.000 1.153 375 I CA -0.790 60.624 61.300 0.190 0.000 0.993 375 I CB 2.174 40.314 38.000 0.234 0.000 1.237 375 I HN 0.312 nan 8.210 nan 0.000 0.443 376 S N 2.763 118.515 115.700 0.087 0.000 2.510 376 S HA 0.230 4.696 4.470 -0.007 0.000 0.279 376 S C 0.002 174.629 174.600 0.044 0.000 1.284 376 S CA -0.522 57.676 58.200 -0.004 0.000 1.059 376 S CB -0.348 62.804 63.200 -0.080 0.000 0.901 376 S HN 0.823 nan 8.310 nan 0.000 0.491 377 N N 3.678 122.311 118.700 -0.111 0.000 2.366 377 N HA 0.086 4.822 4.740 -0.007 0.000 0.277 377 N C 1.220 176.648 175.510 -0.136 0.000 1.275 377 N CA -0.321 52.550 53.050 -0.298 0.000 0.964 377 N CB 0.039 37.980 38.487 -0.910 0.000 1.167 377 N HN 0.646 nan 8.380 nan 0.000 0.568 378 E N -0.411 119.709 120.200 -0.134 0.000 2.267 378 E HA -0.279 4.067 4.350 -0.007 0.000 0.197 378 E C 0.409 176.967 176.600 -0.070 0.000 0.998 378 E CA 1.584 57.944 56.400 -0.066 0.000 0.830 378 E CB -0.551 29.120 29.700 -0.049 0.000 0.751 378 E HN 0.928 nan 8.360 nan 0.000 0.491 379 E N -0.218 119.935 120.200 -0.078 0.000 2.465 379 E HA 0.286 4.632 4.350 -0.007 0.000 0.195 379 E C 0.856 177.436 176.600 -0.032 0.000 1.028 379 E CA 0.258 56.650 56.400 -0.012 0.000 0.899 379 E CB 0.116 29.838 29.700 0.038 0.000 1.032 379 E HN 0.241 nan 8.360 nan 0.000 0.468 380 G N 0.702 109.426 108.800 -0.126 0.000 2.143 380 G HA2 -0.306 3.650 3.960 -0.007 0.000 0.249 380 G HA3 -0.306 3.650 3.960 -0.007 0.000 0.249 380 G C -0.490 174.158 174.900 -0.420 0.000 0.981 380 G CA 0.222 45.153 45.100 -0.283 0.000 0.665 380 G HN 0.347 nan 8.290 nan 0.000 0.528 381 Y N 0.262 120.439 120.300 -0.205 0.000 2.330 381 Y HA 0.601 5.148 4.550 -0.005 0.000 0.336 381 Y C 1.205 176.973 175.900 -0.221 0.000 1.036 381 Y CA -0.871 57.102 58.100 -0.212 0.000 1.125 381 Y CB 1.002 39.357 38.460 -0.174 0.000 1.194 381 Y HN 0.089 nan 8.280 nan 0.000 0.469 382 R N 4.042 124.431 120.500 -0.186 0.000 2.351 382 R HA 0.219 4.555 4.340 -0.007 0.000 0.318 382 R C -0.695 175.332 176.300 -0.455 0.000 1.055 382 R CA 0.157 56.139 56.100 -0.198 0.000 0.968 382 R CB 0.015 30.240 30.300 -0.125 0.000 0.974 382 R HN 0.672 nan 8.270 nan 0.000 0.439 383 H N 1.748 120.773 119.070 -0.075 0.000 2.949 383 H HA 0.326 4.879 4.556 -0.006 0.000 0.356 383 H C -0.186 175.208 175.328 0.111 0.000 1.212 383 H CA -0.954 55.036 56.048 -0.097 0.000 1.136 383 H CB 1.579 31.159 29.762 -0.302 0.000 1.869 383 H HN 0.307 nan 8.280 nan 0.000 0.556 384 I N 1.367 122.044 120.570 0.178 0.000 2.396 384 I HA 0.053 4.219 4.170 -0.007 0.000 0.289 384 I C 0.330 176.523 176.117 0.127 0.000 1.056 384 I CA 0.097 61.474 61.300 0.129 0.000 1.365 384 I CB 0.317 38.318 38.000 0.001 0.000 1.407 384 I HN 0.128 nan 8.210 nan 0.000 0.509 385 c N 7.019 125.605 118.600 -0.024 0.000 2.382 385 c HA 0.413 4.979 4.570 -0.007 0.000 0.327 385 c C -0.351 173.498 174.090 -0.403 0.000 1.250 385 c CA -0.588 55.444 56.329 -0.495 0.000 1.707 385 c CB 0.834 42.762 42.510 -0.970 0.000 2.272 385 c HN 0.690 nan 8.230 nan 0.000 0.506 386 Y N 4.482 124.360 120.300 -0.702 0.000 2.328 386 Y HA 0.656 5.203 4.550 -0.005 0.000 0.337 386 Y C -1.081 174.264 175.900 -0.924 0.000 1.008 386 Y CA -0.419 57.240 58.100 -0.734 0.000 1.129 386 Y CB 0.390 38.494 38.460 -0.593 0.000 1.185 386 Y HN 0.645 nan 8.280 nan 0.000 0.476 387 F N 4.090 123.109 119.950 -1.551 0.000 2.522 387 F HA 0.436 4.959 4.527 -0.006 0.000 0.324 387 F C -0.231 174.731 175.800 -1.396 0.000 1.077 387 F CA -0.857 56.279 58.000 -1.441 0.000 0.944 387 F CB 1.739 39.519 39.000 -2.034 0.000 1.175 387 F HN 0.351 nan 8.300 nan 0.000 0.468 388 Q N 3.167 122.613 119.800 -0.590 0.000 2.241 388 Q HA 0.290 4.626 4.340 -0.007 0.000 0.254 388 Q C 0.958 176.944 176.000 -0.023 0.000 0.917 388 Q CA -0.528 55.090 55.803 -0.308 0.000 0.919 388 Q CB 2.205 30.851 28.738 -0.153 0.000 1.237 388 Q HN 0.625 nan 8.270 nan 0.000 0.434 389 I N 1.571 122.206 120.570 0.108 0.000 2.236 389 I HA -0.303 3.863 4.170 -0.007 0.000 0.249 389 I C 1.277 177.557 176.117 0.271 0.000 1.102 389 I CA 1.596 63.096 61.300 0.332 0.000 1.365 389 I CB -0.601 37.563 38.000 0.274 0.000 1.051 389 I HN 0.595 nan 8.210 nan 0.000 0.420 390 D N 0.828 121.307 120.400 0.131 0.000 2.234 390 D HA -0.047 4.589 4.640 -0.007 0.000 0.205 390 D C 1.099 177.421 176.300 0.037 0.000 0.962 390 D CA 0.613 54.652 54.000 0.065 0.000 0.855 390 D CB 0.290 41.114 40.800 0.040 0.000 0.951 390 D HN 0.535 nan 8.370 nan 0.000 0.500 391 K N -0.285 120.155 120.400 0.068 0.000 2.238 391 K HA 0.400 4.716 4.320 -0.007 0.000 0.239 391 K C 0.611 177.261 176.600 0.084 0.000 0.987 391 K CA -0.809 55.500 56.287 0.036 0.000 0.857 391 K CB 2.521 35.020 32.500 -0.002 0.000 1.154 391 K HN -0.431 nan 8.250 nan 0.000 0.439 392 K N 0.665 121.082 120.400 0.027 0.000 1.980 392 K HA 0.008 4.324 4.320 -0.007 0.000 0.208 392 K C -0.157 176.487 176.600 0.073 0.000 1.043 392 K CA 1.538 57.852 56.287 0.045 0.000 0.938 392 K CB -0.153 32.349 32.500 0.003 0.000 0.724 392 K HN 0.685 nan 8.250 nan 0.000 0.438 393 D N -0.415 119.970 120.400 -0.025 0.000 2.344 393 D HA 0.090 4.726 4.640 -0.007 0.000 0.244 393 D C -0.110 176.008 176.300 -0.304 0.000 1.134 393 D CA -0.053 53.872 54.000 -0.125 0.000 0.930 393 D CB 0.952 41.683 40.800 -0.116 0.000 1.175 393 D HN 0.407 nan 8.370 nan 0.000 0.437 394 c N -0.853 117.417 118.600 -0.551 0.000 2.913 394 c HA 0.889 5.455 4.570 -0.007 0.000 0.322 394 c C 0.026 173.702 174.090 -0.690 0.000 1.292 394 c CA -0.816 54.963 56.329 -0.917 0.000 1.649 394 c CB 1.216 42.539 42.510 -1.978 0.000 2.139 394 c HN 0.645 nan 8.230 nan 0.000 0.475 395 T N -0.588 113.592 114.554 -0.623 0.000 2.829 395 T HA 0.665 5.011 4.350 -0.007 0.000 0.280 395 T C -0.953 173.419 174.700 -0.545 0.000 0.999 395 T CA -0.237 61.590 62.100 -0.455 0.000 0.983 395 T CB 0.645 69.356 68.868 -0.261 0.000 0.968 395 T HN 0.537 nan 8.240 nan 0.000 0.446 396 F N 3.362 123.136 119.950 -0.293 0.000 2.427 396 F HA 0.387 4.910 4.527 -0.008 0.000 0.352 396 F C 1.524 177.078 175.800 -0.410 0.000 1.100 396 F CA -1.171 56.655 58.000 -0.290 0.000 1.191 396 F CB 0.885 39.741 39.000 -0.240 0.000 1.128 396 F HN 0.658 nan 8.300 nan 0.000 0.533 397 I N -1.192 119.253 120.570 -0.208 0.000 4.139 397 I HA 0.241 4.407 4.170 -0.007 0.000 0.335 397 I C 0.261 176.355 176.117 -0.040 0.000 1.327 397 I CA -0.011 61.044 61.300 -0.409 0.000 1.112 397 I CB 0.082 37.815 38.000 -0.445 0.000 1.058 397 I HN 0.487 nan 8.210 nan 0.000 0.396 398 T N 0.279 114.807 114.554 -0.044 0.000 2.916 398 T HA 0.732 5.078 4.350 -0.007 0.000 0.292 398 T C -0.652 173.761 174.700 -0.477 0.000 1.055 398 T CA -0.639 61.416 62.100 -0.075 0.000 1.009 398 T CB 2.745 71.621 68.868 0.013 0.000 1.118 398 T HN 0.475 nan 8.240 nan 0.000 0.497 399 K N -0.115 119.832 120.400 -0.755 0.000 2.579 399 K HA 0.797 5.113 4.320 -0.007 0.000 0.284 399 K C -0.413 175.528 176.600 -1.097 0.000 0.990 399 K CA -0.904 54.608 56.287 -1.291 0.000 0.880 399 K CB 1.385 33.502 32.500 -0.639 0.000 1.488 399 K HN 1.560 nan 8.250 nan 0.000 0.425 400 G N -0.049 108.133 108.800 -1.029 0.000 2.347 400 G HA2 0.067 4.023 3.960 -0.007 0.000 0.477 400 G HA3 0.067 4.023 3.960 -0.007 0.000 0.477 400 G C -0.791 173.562 174.900 -0.911 0.000 1.349 400 G CA -0.398 44.268 45.100 -0.722 0.000 1.000 400 G HN 1.051 nan 8.290 nan 0.000 0.605 401 T N -0.315 113.852 114.554 -0.646 0.000 3.945 401 T HA 0.569 4.915 4.350 -0.007 0.000 0.306 401 T C 0.210 174.774 174.700 -0.227 0.000 1.475 401 T CA 0.706 62.279 62.100 -0.878 0.000 1.177 401 T CB -0.987 67.601 68.868 -0.467 0.000 1.272 401 T HN 1.726 nan 8.240 nan 0.000 0.930 402 W N -0.206 120.966 121.300 -0.214 0.000 2.882 402 W HA 0.546 5.200 4.660 -0.009 0.000 0.382 402 W C -1.756 174.759 176.519 -0.006 0.000 1.143 402 W CA -0.919 56.427 57.345 0.002 0.000 1.155 402 W CB 0.456 29.900 29.460 -0.028 0.000 1.466 402 W HN 0.259 nan 8.180 nan 0.000 0.570 403 E N 0.899 121.290 120.200 0.317 0.000 2.317 403 E HA 0.437 4.783 4.350 -0.007 0.000 0.270 403 E C -1.051 175.681 176.600 0.220 0.000 0.885 403 E CA -1.162 55.221 56.400 -0.028 0.000 0.760 403 E CB 3.401 33.134 29.700 0.056 0.000 1.227 403 E HN 0.186 nan 8.360 nan 0.000 0.434 404 V N 3.942 123.856 119.914 0.001 0.000 2.508 404 V HA -0.015 4.101 4.120 -0.007 0.000 0.281 404 V C 1.225 177.422 176.094 0.172 0.000 1.041 404 V CA 0.105 62.514 62.300 0.182 0.000 1.016 404 V CB 0.375 32.203 31.823 0.010 0.000 0.984 404 V HN 0.693 nan 8.190 nan 0.000 0.478 405 I N 3.192 123.891 120.570 0.214 0.000 2.429 405 I HA 0.253 4.419 4.170 -0.007 0.000 0.247 405 I C 1.141 177.376 176.117 0.196 0.000 1.099 405 I CA 1.165 62.575 61.300 0.184 0.000 1.422 405 I CB -0.739 37.304 38.000 0.071 0.000 1.112 405 I HN 0.741 nan 8.210 nan 0.000 0.430 406 G N 0.796 109.715 108.800 0.198 0.000 2.759 406 G HA2 0.562 4.518 3.960 -0.007 0.000 0.297 406 G HA3 0.562 4.518 3.960 -0.007 0.000 0.297 406 G C -1.161 173.842 174.900 0.171 0.000 1.434 406 G CA -0.487 44.725 45.100 0.187 0.000 0.980 406 G HN -0.032 nan 8.290 nan 0.000 0.531 407 I N 1.876 122.481 120.570 0.059 0.000 2.396 407 I HA 0.193 4.359 4.170 -0.007 0.000 0.289 407 I C 0.843 176.912 176.117 -0.079 0.000 1.056 407 I CA -0.347 60.891 61.300 -0.104 0.000 1.365 407 I CB 1.483 39.181 38.000 -0.503 0.000 1.407 407 I HN 0.505 nan 8.210 nan 0.000 0.509 408 E N 5.102 125.323 120.200 0.034 0.000 2.290 408 E HA 0.328 4.674 4.350 -0.007 0.000 0.197 408 E C 0.156 176.758 176.600 0.003 0.000 0.948 408 E CA 0.222 56.691 56.400 0.114 0.000 0.895 408 E CB 0.751 30.586 29.700 0.226 0.000 0.865 408 E HN 0.661 nan 8.360 nan 0.000 0.486 409 A N 0.741 123.471 122.820 -0.150 0.000 2.589 409 A HA 0.627 4.943 4.320 -0.007 0.000 0.296 409 A C -1.669 175.866 177.584 -0.082 0.000 1.062 409 A CA -0.583 51.301 52.037 -0.256 0.000 0.686 409 A CB 1.326 19.738 19.000 -0.981 0.000 1.282 409 A HN 0.090 nan 8.150 nan 0.000 0.404 410 L N 2.712 123.932 121.223 -0.006 0.000 2.376 410 L HA 0.645 4.980 4.340 -0.007 0.000 0.275 410 L C 0.458 177.368 176.870 0.067 0.000 0.987 410 L CA -0.205 54.655 54.840 0.033 0.000 0.828 410 L CB 2.036 44.160 42.059 0.109 0.000 1.249 410 L HN 1.149 nan 8.230 nan 0.000 0.409 411 T N -0.690 113.911 114.554 0.079 0.000 2.849 411 T HA 0.274 4.620 4.350 -0.007 0.000 0.272 411 T C 1.081 175.824 174.700 0.072 0.000 1.046 411 T CA 0.201 62.356 62.100 0.091 0.000 0.983 411 T CB 1.141 70.092 68.868 0.139 0.000 1.721 411 T HN 0.549 nan 8.240 nan 0.000 0.594 412 S N -0.897 114.835 115.700 0.053 0.000 2.517 412 S HA 0.145 4.611 4.470 -0.007 0.000 0.214 412 S C 0.554 175.123 174.600 -0.052 0.000 0.991 412 S CA 0.020 58.237 58.200 0.028 0.000 0.906 412 S CB -0.250 62.971 63.200 0.036 0.000 0.789 412 S HN 0.628 nan 8.310 nan 0.000 0.513 413 D N -0.282 120.049 120.400 -0.114 0.000 2.431 413 D HA 0.278 4.914 4.640 -0.007 0.000 0.227 413 D C -0.565 175.366 176.300 -0.616 0.000 1.030 413 D CA 0.564 54.337 54.000 -0.379 0.000 0.897 413 D CB 0.255 40.770 40.800 -0.473 0.000 1.058 413 D HN 0.450 nan 8.370 nan 0.000 0.500 414 Y N 0.063 120.292 120.300 -0.118 0.000 2.492 414 Y HA 0.414 4.959 4.550 -0.008 0.000 0.346 414 Y C -0.828 174.866 175.900 -0.344 0.000 0.997 414 Y CA -1.438 56.486 58.100 -0.293 0.000 1.025 414 Y CB 2.379 40.544 38.460 -0.492 0.000 1.263 414 Y HN -0.256 nan 8.280 nan 0.000 0.454 415 L N 3.624 124.705 121.223 -0.237 0.000 2.313 415 L HA 0.550 4.886 4.340 -0.007 0.000 0.283 415 L C -1.980 174.739 176.870 -0.251 0.000 1.013 415 L CA -1.480 53.204 54.840 -0.259 0.000 0.816 415 L CB 0.101 41.919 42.059 -0.402 0.000 1.236 415 L HN 0.526 nan 8.230 nan 0.000 0.419 416 Y N 6.197 126.433 120.300 -0.106 0.000 2.331 416 Y HA 0.588 5.134 4.550 -0.005 0.000 0.338 416 Y C -0.363 175.554 175.900 0.028 0.000 0.992 416 Y CA -0.245 57.796 58.100 -0.098 0.000 1.121 416 Y CB 1.318 39.589 38.460 -0.316 0.000 1.184 416 Y HN 0.642 nan 8.280 nan 0.000 0.469 417 Y N 0.512 120.872 120.300 0.101 0.000 2.588 417 Y HA 0.827 5.372 4.550 -0.008 0.000 0.343 417 Y C -1.663 174.323 175.900 0.143 0.000 1.065 417 Y CA -1.917 56.238 58.100 0.091 0.000 1.038 417 Y CB 1.273 39.769 38.460 0.060 0.000 1.297 417 Y HN 0.409 nan 8.280 nan 0.000 0.467 418 I N 3.351 124.035 120.570 0.190 0.000 2.378 418 I HA 0.561 4.727 4.170 -0.007 0.000 0.291 418 I C -0.346 175.910 176.117 0.232 0.000 0.992 418 I CA -0.366 60.996 61.300 0.103 0.000 1.154 418 I CB 1.818 39.858 38.000 0.066 0.000 1.315 418 I HN 0.890 nan 8.210 nan 0.000 0.448 419 S N 3.411 119.220 115.700 0.183 0.000 2.732 419 S HA 0.447 4.913 4.470 -0.007 0.000 0.293 419 S C -0.319 174.314 174.600 0.055 0.000 1.159 419 S CA -0.839 57.477 58.200 0.194 0.000 0.847 419 S CB 1.671 65.046 63.200 0.291 0.000 1.169 419 S HN 0.631 nan 8.310 nan 0.000 0.501 420 N N -0.607 118.128 118.700 0.058 0.000 2.321 420 N HA 0.138 4.874 4.740 -0.007 0.000 0.242 420 N C 0.577 176.040 175.510 -0.079 0.000 1.141 420 N CA -0.252 52.789 53.050 -0.016 0.000 0.864 420 N CB 0.152 38.627 38.487 -0.020 0.000 1.100 420 N HN 0.817 nan 8.380 nan 0.000 0.510 421 E N 0.169 120.149 120.200 -0.366 0.000 2.077 421 E HA -0.203 4.143 4.350 -0.007 0.000 0.193 421 E C -0.362 176.051 176.600 -0.313 0.000 0.989 421 E CA 0.278 56.175 56.400 -0.838 0.000 0.800 421 E CB -0.117 28.458 29.700 -1.875 0.000 0.746 421 E HN 0.535 nan 8.360 nan 0.000 0.452 422 Y N 2.589 122.771 120.300 -0.196 0.000 2.802 422 Y HA -0.183 4.362 4.550 -0.008 0.000 0.333 422 Y C 0.245 176.098 175.900 -0.079 0.000 1.244 422 Y CA 0.789 58.836 58.100 -0.089 0.000 1.558 422 Y CB 0.153 38.584 38.460 -0.048 0.000 1.233 422 Y HN 0.103 nan 8.280 nan 0.000 0.547 423 K N 3.705 123.806 120.400 -0.498 0.000 3.264 423 K HA -0.273 4.043 4.320 -0.007 0.000 0.267 423 K C 0.547 177.061 176.600 -0.143 0.000 0.886 423 K CA 0.716 56.784 56.287 -0.365 0.000 0.665 423 K CB -2.538 29.659 32.500 -0.504 0.000 1.447 423 K HN 1.311 nan 8.250 nan 0.000 0.464 424 G N 0.282 109.026 108.800 -0.092 0.000 2.258 424 G HA2 -0.337 3.619 3.960 -0.007 0.000 0.274 424 G HA3 -0.337 3.619 3.960 -0.007 0.000 0.274 424 G C 0.021 174.900 174.900 -0.034 0.000 1.021 424 G CA 0.832 45.927 45.100 -0.008 0.000 0.798 424 G HN 0.553 nan 8.290 nan 0.000 0.507 425 M N 0.057 119.565 119.600 -0.154 0.000 2.055 425 M HA 0.283 4.759 4.480 -0.007 0.000 0.347 425 M C -1.432 174.625 176.300 -0.405 0.000 1.123 425 M CA -2.052 53.002 55.300 -0.410 0.000 1.035 425 M CB 1.869 34.297 32.600 -0.286 0.000 1.484 425 M HN -0.142 nan 8.290 nan 0.000 0.428 426 P HA -0.018 nan 4.420 nan 0.000 0.226 426 P C 1.118 178.268 177.300 -0.249 0.000 1.153 426 P CA 0.802 63.721 63.100 -0.301 0.000 0.777 426 P CB 0.246 31.773 31.700 -0.290 0.000 0.794 427 G N -0.983 107.611 108.800 -0.344 0.000 3.189 427 G HA2 0.283 4.239 3.960 -0.007 0.000 0.225 427 G HA3 0.283 4.239 3.960 -0.007 0.000 0.225 427 G C 0.635 175.521 174.900 -0.022 0.000 1.159 427 G CA 0.014 45.038 45.100 -0.126 0.000 0.763 427 G HN 0.364 nan 8.290 nan 0.000 0.549 428 G N -0.129 108.597 108.800 -0.124 0.000 2.461 428 G HA2 0.630 4.586 3.960 -0.007 0.000 0.329 428 G HA3 0.630 4.586 3.960 -0.007 0.000 0.329 428 G C -0.790 173.952 174.900 -0.263 0.000 1.170 428 G CA -0.718 44.326 45.100 -0.092 0.000 0.935 428 G HN 0.074 nan 8.290 nan 0.000 0.492 429 R N 0.534 120.845 120.500 -0.315 0.000 2.533 429 R HA 0.360 4.696 4.340 -0.007 0.000 0.288 429 R C -1.310 174.923 176.300 -0.111 0.000 1.039 429 R CA -0.780 55.117 56.100 -0.340 0.000 0.909 429 R CB 1.909 31.768 30.300 -0.736 0.000 1.195 429 R HN 0.688 nan 8.270 nan 0.000 0.438 430 N N 0.658 119.303 118.700 -0.093 0.000 2.284 430 N HA 0.431 5.167 4.740 -0.007 0.000 0.289 430 N C -1.448 173.892 175.510 -0.284 0.000 1.179 430 N CA -0.809 52.090 53.050 -0.252 0.000 0.774 430 N CB 2.076 40.302 38.487 -0.435 0.000 1.548 430 N HN 0.254 nan 8.380 nan 0.000 0.473 431 L N 2.081 123.003 121.223 -0.501 0.000 2.292 431 L HA 0.514 4.850 4.340 -0.007 0.000 0.284 431 L C -1.591 174.893 176.870 -0.644 0.000 1.065 431 L CA -0.022 54.567 54.840 -0.419 0.000 0.806 431 L CB -0.109 41.718 42.059 -0.386 0.000 1.175 431 L HN 0.524 nan 8.230 nan 0.000 0.431 432 Y N 3.709 123.646 120.300 -0.605 0.000 2.562 432 Y HA 0.552 5.097 4.550 -0.008 0.000 0.343 432 Y C -0.353 175.260 175.900 -0.478 0.000 1.025 432 Y CA -0.850 56.870 58.100 -0.633 0.000 1.082 432 Y CB 1.738 39.618 38.460 -0.966 0.000 1.264 432 Y HN 0.483 nan 8.280 nan 0.000 0.478 433 K N 3.508 123.803 120.400 -0.174 0.000 2.507 433 K HA 0.496 4.812 4.320 -0.007 0.000 0.252 433 K C -1.888 174.663 176.600 -0.081 0.000 0.943 433 K CA -0.551 55.544 56.287 -0.320 0.000 0.808 433 K CB 1.582 33.772 32.500 -0.518 0.000 1.142 433 K HN 0.852 nan 8.250 nan 0.000 0.426 434 I N 3.475 124.043 120.570 -0.003 0.000 2.312 434 I HA 0.175 4.341 4.170 -0.007 0.000 0.290 434 I C -0.284 175.889 176.117 0.093 0.000 1.008 434 I CA -0.514 60.851 61.300 0.107 0.000 1.226 434 I CB 1.373 39.474 38.000 0.169 0.000 1.371 434 I HN 0.791 nan 8.210 nan 0.000 0.468 435 Q N 5.838 125.717 119.800 0.131 0.000 2.263 435 Q HA 0.042 4.378 4.340 -0.007 0.000 0.270 435 Q C 0.235 176.187 176.000 -0.080 0.000 1.104 435 Q CA -0.442 55.360 55.803 -0.003 0.000 0.909 435 Q CB 1.061 29.819 28.738 0.034 0.000 1.214 435 Q HN 0.853 nan 8.270 nan 0.000 0.400 436 L N 3.483 124.601 121.223 -0.175 0.000 2.127 436 L HA -0.214 4.122 4.340 -0.007 0.000 0.211 436 L C 2.420 179.244 176.870 -0.076 0.000 1.089 436 L CA 2.112 56.888 54.840 -0.107 0.000 0.757 436 L CB -0.929 41.057 42.059 -0.122 0.000 0.899 436 L HN 0.804 nan 8.230 nan 0.000 0.434 437 S N -2.143 113.489 115.700 -0.114 0.000 2.453 437 S HA -0.077 4.389 4.470 -0.007 0.000 0.231 437 S C 0.764 175.327 174.600 -0.062 0.000 1.005 437 S CA 0.700 58.849 58.200 -0.084 0.000 0.949 437 S CB -0.078 63.062 63.200 -0.100 0.000 0.774 437 S HN 0.463 nan 8.310 nan 0.000 0.510 438 D N 0.146 120.511 120.400 -0.059 0.000 2.365 438 D HA 0.149 4.785 4.640 -0.007 0.000 0.235 438 D C 0.110 176.369 176.300 -0.068 0.000 1.368 438 D CA -0.774 53.169 54.000 -0.096 0.000 1.001 438 D CB 0.484 41.218 40.800 -0.110 0.000 1.364 438 D HN 0.269 nan 8.370 nan 0.000 0.577 439 Y N 1.561 121.831 120.300 -0.049 0.000 2.571 439 Y HA -0.006 4.543 4.550 -0.002 0.000 0.294 439 Y C 1.918 177.818 175.900 0.000 0.000 1.141 439 Y CA 1.191 59.273 58.100 -0.030 0.000 1.308 439 Y CB -0.532 37.903 38.460 -0.043 0.000 1.002 439 Y HN 0.235 nan 8.280 nan 0.000 0.551 440 T N -2.658 111.741 114.554 -0.258 0.000 2.995 440 T HA -0.001 4.345 4.350 -0.007 0.000 0.269 440 T C 0.641 175.328 174.700 -0.022 0.000 1.091 440 T CA 0.265 62.282 62.100 -0.137 0.000 1.128 440 T CB -0.265 68.465 68.868 -0.230 0.000 0.891 440 T HN 0.013 nan 8.240 nan 0.000 0.492 441 K N 2.091 122.479 120.400 -0.019 0.000 2.228 441 K HA 0.488 4.804 4.320 -0.007 0.000 0.284 441 K C -1.203 175.441 176.600 0.074 0.000 1.088 441 K CA -0.125 56.175 56.287 0.022 0.000 0.941 441 K CB 0.598 33.104 32.500 0.011 0.000 1.158 441 K HN 0.191 nan 8.250 nan 0.000 0.438 442 V N 2.585 122.552 119.914 0.088 0.000 2.540 442 V HA 0.449 4.565 4.120 -0.007 0.000 0.302 442 V C -0.272 175.877 176.094 0.091 0.000 1.035 442 V CA -0.892 61.483 62.300 0.126 0.000 0.873 442 V CB 2.279 34.217 31.823 0.190 0.000 0.992 442 V HN 0.645 nan 8.190 nan 0.000 0.428 443 T N 2.566 117.147 114.554 0.046 0.000 2.807 443 T HA 0.290 4.636 4.350 -0.007 0.000 0.279 443 T C -0.454 174.168 174.700 -0.131 0.000 0.993 443 T CA -0.323 61.755 62.100 -0.036 0.000 0.970 443 T CB 1.445 70.260 68.868 -0.088 0.000 0.950 443 T HN 0.766 nan 8.240 nan 0.000 0.441 444 C N 4.707 123.852 119.300 -0.257 0.000 2.394 444 C HA 0.412 4.868 4.460 -0.007 0.000 0.362 444 C C 1.716 176.387 174.990 -0.530 0.000 1.268 444 C CA -0.547 58.055 59.018 -0.693 0.000 1.828 444 C CB -1.786 25.453 27.740 -0.836 0.000 2.442 444 C HN 0.976 nan 8.230 nan 0.000 0.549 445 L N 4.437 125.318 121.223 -0.570 0.000 2.375 445 L HA 0.061 4.397 4.340 -0.007 0.000 0.215 445 L C 2.265 178.828 176.870 -0.511 0.000 1.108 445 L CA 1.045 55.634 54.840 -0.419 0.000 0.830 445 L CB -0.276 41.580 42.059 -0.338 0.000 0.959 445 L HN 0.877 nan 8.230 nan 0.000 0.457 446 S N -2.601 112.661 115.700 -0.730 0.000 2.564 446 S HA -0.046 4.420 4.470 -0.007 0.000 0.231 446 S C 1.998 176.136 174.600 -0.769 0.000 1.067 446 S CA 0.087 57.725 58.200 -0.936 0.000 0.908 446 S CB -0.405 61.834 63.200 -1.601 0.000 0.809 446 S HN 0.299 nan 8.310 nan 0.000 0.491 447 C N 2.110 120.920 119.300 -0.817 0.000 2.353 447 C HA -0.127 4.329 4.460 -0.007 0.000 0.272 447 C C 2.646 177.281 174.990 -0.593 0.000 1.165 447 C CA 1.884 60.314 59.018 -0.979 0.000 1.786 447 C CB -1.171 25.811 27.740 -1.263 0.000 2.071 447 C HN 0.653 nan 8.230 nan 0.000 0.451 448 E N -0.378 119.588 120.200 -0.390 0.000 2.476 448 E HA 0.178 4.524 4.350 -0.007 0.000 0.199 448 E C 1.932 178.465 176.600 -0.111 0.000 1.021 448 E CA -0.054 56.236 56.400 -0.185 0.000 0.907 448 E CB -0.171 29.444 29.700 -0.140 0.000 0.974 448 E HN 0.554 nan 8.360 nan 0.000 0.489 449 L N 0.265 121.408 121.223 -0.133 0.000 2.043 449 L HA -0.122 4.214 4.340 -0.007 0.000 0.212 449 L C 0.938 177.814 176.870 0.011 0.000 1.075 449 L CA 1.026 55.839 54.840 -0.045 0.000 0.752 449 L CB -0.068 41.976 42.059 -0.025 0.000 0.891 449 L HN 0.120 nan 8.230 nan 0.000 0.432 450 N N -1.644 117.079 118.700 0.037 0.000 2.884 450 N HA 0.083 4.819 4.740 -0.007 0.000 0.211 450 N C -2.156 173.387 175.510 0.057 0.000 1.442 450 N CA -0.692 52.384 53.050 0.043 0.000 0.757 450 N CB 0.815 39.328 38.487 0.043 0.000 1.461 450 N HN -0.157 nan 8.380 nan 0.000 0.557 451 P HA -0.116 nan 4.420 nan 0.000 0.220 451 P C 1.032 178.386 177.300 0.090 0.000 1.148 451 P CA 1.006 64.166 63.100 0.101 0.000 0.803 451 P CB 0.866 32.642 31.700 0.126 0.000 0.782 452 E N 0.475 120.706 120.200 0.053 0.000 2.028 452 E HA -0.172 4.174 4.350 -0.007 0.000 0.190 452 E C 2.202 178.813 176.600 0.018 0.000 0.984 452 E CA 1.024 57.445 56.400 0.034 0.000 0.800 452 E CB -0.003 29.708 29.700 0.018 0.000 0.758 452 E HN 0.156 nan 8.360 nan 0.000 0.448 453 R N -1.267 119.232 120.500 -0.002 0.000 2.290 453 R HA 0.216 4.552 4.340 -0.007 0.000 0.197 453 R C -0.343 175.924 176.300 -0.055 0.000 0.913 453 R CA 0.189 56.265 56.100 -0.039 0.000 1.040 453 R CB 0.177 30.435 30.300 -0.070 0.000 0.992 453 R HN -0.038 nan 8.270 nan 0.000 0.500 454 c N 1.314 119.902 118.600 -0.021 0.000 2.407 454 c HA 0.410 4.976 4.570 -0.007 0.000 0.328 454 c C -0.202 173.932 174.090 0.073 0.000 1.137 454 c CA -0.568 55.717 56.329 -0.074 0.000 1.390 454 c CB 1.219 43.668 42.510 -0.102 0.000 1.989 454 c HN 0.600 nan 8.230 nan 0.000 0.432 455 Q N 0.498 120.333 119.800 0.059 0.000 2.113 455 Q HA 0.200 4.536 4.340 -0.007 0.000 0.225 455 Q C -0.909 175.191 176.000 0.165 0.000 0.786 455 Q CA 0.082 55.983 55.803 0.163 0.000 0.989 455 Q CB 1.410 30.243 28.738 0.158 0.000 1.174 455 Q HN 0.766 nan 8.270 nan 0.000 0.470 456 Y N 0.441 120.694 120.300 -0.079 0.000 2.349 456 Y HA 0.403 4.949 4.550 -0.006 0.000 0.324 456 Y C -1.583 174.194 175.900 -0.204 0.000 1.005 456 Y CA -1.038 57.017 58.100 -0.075 0.000 1.240 456 Y CB 0.801 39.208 38.460 -0.088 0.000 1.117 456 Y HN -0.077 nan 8.280 nan 0.000 0.463 457 Y N 2.606 122.858 120.300 -0.080 0.000 2.446 457 Y HA 0.604 5.150 4.550 -0.006 0.000 0.345 457 Y C 0.245 176.109 175.900 -0.060 0.000 0.984 457 Y CA -0.635 57.424 58.100 -0.068 0.000 1.058 457 Y CB 2.246 40.620 38.460 -0.143 0.000 1.220 457 Y HN 0.556 nan 8.280 nan 0.000 0.455 458 S N 1.086 116.870 115.700 0.140 0.000 2.751 458 S HA 0.886 5.352 4.470 -0.007 0.000 0.310 458 S C -1.404 173.258 174.600 0.104 0.000 1.128 458 S CA -0.783 57.486 58.200 0.115 0.000 0.931 458 S CB 1.973 65.251 63.200 0.130 0.000 1.177 458 S HN 0.577 nan 8.310 nan 0.000 0.530 459 V N 0.034 120.006 119.914 0.097 0.000 3.012 459 V HA 0.769 4.885 4.120 -0.007 0.000 0.307 459 V C -1.354 174.808 176.094 0.114 0.000 1.166 459 V CA -0.278 62.048 62.300 0.044 0.000 0.974 459 V CB 2.274 34.037 31.823 -0.100 0.000 1.040 459 V HN 1.090 nan 8.190 nan 0.000 0.428 460 S N 5.269 121.037 115.700 0.114 0.000 2.707 460 S HA 0.684 5.150 4.470 -0.007 0.000 0.312 460 S C -1.099 173.675 174.600 0.290 0.000 1.116 460 S CA -0.345 58.025 58.200 0.283 0.000 1.078 460 S CB 0.409 63.814 63.200 0.342 0.000 0.997 460 S HN 0.498 nan 8.310 nan 0.000 0.477 461 F N 3.189 123.241 119.950 0.171 0.000 2.375 461 F HA 0.382 4.905 4.527 -0.008 0.000 0.333 461 F C 1.431 176.879 175.800 -0.588 0.000 1.104 461 F CA -0.206 57.736 58.000 -0.097 0.000 1.149 461 F CB 1.284 40.186 39.000 -0.163 0.000 1.190 461 F HN 0.609 nan 8.300 nan 0.000 0.533 462 S N 1.953 117.046 115.700 -1.011 0.000 2.606 462 S HA 0.088 4.554 4.470 -0.007 0.000 0.257 462 S C 1.333 175.651 174.600 -0.470 0.000 1.327 462 S CA -0.630 56.656 58.200 -1.524 0.000 0.984 462 S CB 0.733 63.051 63.200 -1.471 0.000 0.941 462 S HN 0.734 nan 8.310 nan 0.000 0.576 463 K N 0.632 120.882 120.400 -0.251 0.000 2.071 463 K HA -0.208 4.108 4.320 -0.007 0.000 0.217 463 K C 1.516 178.086 176.600 -0.049 0.000 1.054 463 K CA 2.293 58.550 56.287 -0.050 0.000 0.937 463 K CB -0.240 32.266 32.500 0.009 0.000 0.719 463 K HN 0.747 nan 8.250 nan 0.000 0.454 464 E N -1.808 118.336 120.200 -0.094 0.000 2.585 464 E HA 0.342 4.688 4.350 -0.007 0.000 0.206 464 E C -0.588 175.969 176.600 -0.072 0.000 1.007 464 E CA 0.546 56.913 56.400 -0.056 0.000 1.028 464 E CB 0.475 30.150 29.700 -0.041 0.000 1.087 464 E HN 0.355 nan 8.360 nan 0.000 0.455 465 A N 0.447 123.213 122.820 -0.091 0.000 2.861 465 A HA -0.364 3.952 4.320 -0.007 0.000 0.261 465 A C 1.573 179.161 177.584 0.006 0.000 1.351 465 A CA 1.600 53.623 52.037 -0.024 0.000 0.904 465 A CB -2.145 16.695 19.000 -0.266 0.000 1.076 465 A HN 0.365 nan 8.150 nan 0.000 0.729 466 K N -1.711 118.610 120.400 -0.132 0.000 2.148 466 K HA 0.027 4.343 4.320 -0.007 0.000 0.204 466 K C 0.376 176.699 176.600 -0.461 0.000 1.050 466 K CA 1.613 57.729 56.287 -0.285 0.000 0.942 466 K CB -0.072 32.205 32.500 -0.370 0.000 0.724 466 K HN 0.698 nan 8.250 nan 0.000 0.446 467 Y N -1.387 118.847 120.300 -0.111 0.000 2.634 467 Y HA 0.354 4.900 4.550 -0.006 0.000 0.340 467 Y C -1.026 174.822 175.900 -0.087 0.000 1.058 467 Y CA -1.323 56.721 58.100 -0.094 0.000 1.081 467 Y CB 1.813 40.245 38.460 -0.048 0.000 1.295 467 Y HN -0.018 nan 8.280 nan 0.000 0.487 468 Y N -1.225 119.100 120.300 0.042 0.000 2.521 468 Y HA 0.422 4.968 4.550 -0.007 0.000 0.332 468 Y C -1.455 174.479 175.900 0.056 0.000 1.121 468 Y CA -1.400 56.578 58.100 -0.204 0.000 1.037 468 Y CB 1.250 39.023 38.460 -1.145 0.000 1.330 468 Y HN 0.583 nan 8.280 nan 0.000 0.452 469 Q N 3.702 123.648 119.800 0.242 0.000 2.257 469 Q HA 0.588 4.924 4.340 -0.007 0.000 0.255 469 Q C -1.693 174.401 176.000 0.158 0.000 0.920 469 Q CA -0.740 55.150 55.803 0.144 0.000 0.927 469 Q CB 1.289 30.058 28.738 0.051 0.000 1.229 469 Q HN 0.941 nan 8.270 nan 0.000 0.433 470 L N 3.864 125.193 121.223 0.177 0.000 2.309 470 L HA 0.541 4.877 4.340 -0.007 0.000 0.282 470 L C -0.053 176.848 176.870 0.052 0.000 1.036 470 L CA -0.570 54.364 54.840 0.157 0.000 0.806 470 L CB 1.600 43.787 42.059 0.212 0.000 1.220 470 L HN 0.559 nan 8.230 nan 0.000 0.429 471 R N 2.887 123.369 120.500 -0.031 0.000 2.265 471 R HA 0.362 4.698 4.340 -0.007 0.000 0.328 471 R C -1.086 174.974 176.300 -0.401 0.000 0.969 471 R CA -0.475 55.402 56.100 -0.371 0.000 0.832 471 R CB 1.276 31.411 30.300 -0.274 0.000 1.139 471 R HN 0.726 nan 8.270 nan 0.000 0.457 472 c N 4.220 122.454 118.600 -0.609 0.000 2.239 472 c HA 0.397 4.963 4.570 -0.007 0.000 0.325 472 c C 0.787 174.609 174.090 -0.446 0.000 1.231 472 c CA -0.397 55.499 56.329 -0.722 0.000 1.652 472 c CB 0.414 42.449 42.510 -0.791 0.000 2.284 472 c HN 0.973 nan 8.230 nan 0.000 0.499 473 S N 3.808 119.344 115.700 -0.274 0.000 2.556 473 S HA 0.213 4.679 4.470 -0.007 0.000 0.216 473 S C 1.394 175.929 174.600 -0.109 0.000 0.970 473 S CA 0.324 58.431 58.200 -0.155 0.000 0.912 473 S CB -0.084 63.026 63.200 -0.150 0.000 0.790 473 S HN 1.177 nan 8.310 nan 0.000 0.504 474 G N 3.269 111.987 108.800 -0.137 0.000 3.273 474 G HA2 -0.091 3.865 3.960 -0.007 0.000 0.516 474 G HA3 -0.091 3.865 3.960 -0.007 0.000 0.516 474 G C -1.333 173.563 174.900 -0.007 0.000 1.281 474 G CA -0.351 44.712 45.100 -0.061 0.000 1.201 474 G HN 0.190 nan 8.290 nan 0.000 0.743 475 P HA 0.004 nan 4.420 nan 0.000 0.218 475 P C 1.384 178.707 177.300 0.037 0.000 1.149 475 P CA 1.595 64.728 63.100 0.055 0.000 0.817 475 P CB -0.175 31.553 31.700 0.047 0.000 0.785 476 G N -0.340 108.421 108.800 -0.066 0.000 2.535 476 G HA2 0.380 4.336 3.960 -0.007 0.000 0.282 476 G HA3 0.380 4.336 3.960 -0.007 0.000 0.282 476 G C -0.550 174.118 174.900 -0.387 0.000 1.350 476 G CA -0.551 44.431 45.100 -0.196 0.000 1.039 476 G HN 0.002 nan 8.290 nan 0.000 0.509 477 L N 1.145 122.052 121.223 -0.528 0.000 2.485 477 L HA 0.207 4.543 4.340 -0.007 0.000 0.275 477 L C -1.803 174.904 176.870 -0.271 0.000 1.207 477 L CA -0.766 53.723 54.840 -0.585 0.000 0.855 477 L CB 0.130 41.931 42.059 -0.430 0.000 1.114 477 L HN 0.226 nan 8.230 nan 0.000 0.485 478 P HA 0.010 nan 4.420 nan 0.000 0.264 478 P C -0.952 176.307 177.300 -0.069 0.000 1.179 478 P CA 0.089 63.136 63.100 -0.088 0.000 0.763 478 P CB 0.452 32.216 31.700 0.106 0.000 0.806 479 L N 5.217 126.320 121.223 -0.199 0.000 2.446 479 L HA 0.416 4.752 4.340 -0.007 0.000 0.268 479 L C -1.712 175.035 176.870 -0.206 0.000 0.975 479 L CA -0.645 54.127 54.840 -0.113 0.000 0.848 479 L CB 0.714 42.698 42.059 -0.125 0.000 1.225 479 L HN 0.240 nan 8.230 nan 0.000 0.410 480 Y N 3.116 123.364 120.300 -0.087 0.000 2.335 480 Y HA 0.674 5.220 4.550 -0.006 0.000 0.339 480 Y C 0.737 176.524 175.900 -0.187 0.000 0.987 480 Y CA -0.438 57.592 58.100 -0.117 0.000 1.140 480 Y CB 1.801 40.180 38.460 -0.134 0.000 1.173 480 Y HN 0.658 nan 8.280 nan 0.000 0.486 481 T N 1.844 116.391 114.554 -0.011 0.000 2.916 481 T HA 0.625 4.971 4.350 -0.007 0.000 0.292 481 T C -1.349 173.266 174.700 -0.142 0.000 1.055 481 T CA -0.972 61.068 62.100 -0.101 0.000 1.009 481 T CB 1.957 70.821 68.868 -0.008 0.000 1.118 481 T HN 0.486 nan 8.240 nan 0.000 0.497 482 L N 2.120 123.124 121.223 -0.364 0.000 2.362 482 L HA 0.541 4.877 4.340 -0.007 0.000 0.275 482 L C -0.962 175.577 176.870 -0.551 0.000 0.998 482 L CA -0.583 54.077 54.840 -0.300 0.000 0.820 482 L CB 1.452 43.377 42.059 -0.225 0.000 1.270 482 L HN 0.892 nan 8.230 nan 0.000 0.415 483 H N 1.916 120.771 119.070 -0.358 0.000 2.768 483 H HA 0.312 4.864 4.556 -0.007 0.000 0.371 483 H C -0.428 174.704 175.328 -0.327 0.000 1.151 483 H CA -0.692 55.053 56.048 -0.504 0.000 1.165 483 H CB 2.372 31.489 29.762 -1.076 0.000 1.722 483 H HN 0.567 nan 8.280 nan 0.000 0.543 484 S N 0.498 116.183 115.700 -0.024 0.000 2.525 484 S HA 0.113 4.579 4.470 -0.007 0.000 0.278 484 S C 1.085 175.658 174.600 -0.045 0.000 1.234 484 S CA -0.353 57.854 58.200 0.011 0.000 1.058 484 S CB 1.427 64.654 63.200 0.045 0.000 0.983 484 S HN 0.702 nan 8.310 nan 0.000 0.495 485 S N 2.374 118.057 115.700 -0.028 0.000 2.548 485 S HA -0.017 4.449 4.470 -0.007 0.000 0.215 485 S C 1.509 176.147 174.600 0.062 0.000 0.976 485 S CA 0.329 58.622 58.200 0.154 0.000 0.908 485 S CB -0.308 63.049 63.200 0.261 0.000 0.781 485 S HN 0.721 nan 8.310 nan 0.000 0.519 486 V N 3.601 123.504 119.914 -0.018 0.000 2.287 486 V HA -0.185 3.931 4.120 -0.007 0.000 0.248 486 V C 1.741 177.852 176.094 0.029 0.000 1.053 486 V CA 2.479 64.784 62.300 0.007 0.000 1.027 486 V CB -0.594 31.211 31.823 -0.029 0.000 0.646 486 V HN 0.875 nan 8.190 nan 0.000 0.447 487 N N -2.854 115.856 118.700 0.017 0.000 2.143 487 N HA 0.078 4.814 4.740 -0.007 0.000 0.222 487 N C 0.151 175.671 175.510 0.018 0.000 1.264 487 N CA 0.580 53.641 53.050 0.018 0.000 0.897 487 N CB 0.254 38.749 38.487 0.014 0.000 1.092 487 N HN 0.442 nan 8.380 nan 0.000 0.516 488 D N 0.203 120.625 120.400 0.037 0.000 2.800 488 D HA -0.174 4.462 4.640 -0.007 0.000 0.232 488 D C -0.497 175.833 176.300 0.050 0.000 1.137 488 D CA 0.740 54.779 54.000 0.066 0.000 0.718 488 D CB -0.954 39.879 40.800 0.055 0.000 1.084 488 D HN 0.557 nan 8.370 nan 0.000 0.432 489 K N 0.489 120.903 120.400 0.025 0.000 2.270 489 K HA 0.364 4.679 4.320 -0.007 0.000 0.276 489 K C 0.733 177.326 176.600 -0.012 0.000 1.023 489 K CA 0.078 56.369 56.287 0.007 0.000 0.955 489 K CB 0.723 33.218 32.500 -0.009 0.000 0.975 489 K HN 0.099 nan 8.250 nan 0.000 0.471 490 G N 4.864 113.639 108.800 -0.042 0.000 2.519 490 G HA2 0.160 4.116 3.960 -0.007 0.000 0.306 490 G HA3 0.160 4.116 3.960 -0.007 0.000 0.306 490 G C 0.884 175.634 174.900 -0.250 0.000 0.965 490 G CA -0.403 44.561 45.100 -0.227 0.000 1.291 490 G HN 0.691 nan 8.290 nan 0.000 0.450 491 L N 1.514 122.567 121.223 -0.284 0.000 1.970 491 L HA 0.077 4.413 4.340 -0.007 0.000 0.212 491 L C 1.819 178.583 176.870 -0.177 0.000 1.071 491 L CA 1.379 56.112 54.840 -0.178 0.000 0.751 491 L CB -0.260 41.719 42.059 -0.133 0.000 0.889 491 L HN 0.699 nan 8.230 nan 0.000 0.432 492 R N -1.691 118.665 120.500 -0.241 0.000 2.716 492 R HA 0.450 4.786 4.340 -0.007 0.000 0.271 492 R C -1.685 174.476 176.300 -0.232 0.000 1.028 492 R CA -0.861 55.123 56.100 -0.192 0.000 0.883 492 R CB 1.543 31.763 30.300 -0.134 0.000 1.250 492 R HN -0.241 nan 8.270 nan 0.000 0.465 493 V N 3.665 123.474 119.914 -0.176 0.000 2.368 493 V HA 0.167 4.283 4.120 -0.007 0.000 0.266 493 V C 1.353 177.314 176.094 -0.222 0.000 1.045 493 V CA -0.392 61.807 62.300 -0.169 0.000 0.899 493 V CB 0.842 32.604 31.823 -0.102 0.000 1.006 493 V HN 0.671 nan 8.190 nan 0.000 0.470 494 L N 2.615 123.624 121.223 -0.356 0.000 2.068 494 L HA 0.192 4.528 4.340 -0.007 0.000 0.204 494 L C 0.900 177.535 176.870 -0.390 0.000 1.076 494 L CA 1.037 55.468 54.840 -0.682 0.000 0.753 494 L CB 0.126 41.343 42.059 -1.404 0.000 0.910 494 L HN 0.648 nan 8.230 nan 0.000 0.439 495 E N -0.287 119.814 120.200 -0.165 0.000 2.311 495 E HA 0.113 4.459 4.350 -0.007 0.000 0.281 495 E C -1.195 175.448 176.600 0.072 0.000 0.905 495 E CA -0.412 56.003 56.400 0.025 0.000 0.778 495 E CB 1.214 30.970 29.700 0.094 0.000 1.240 495 E HN 0.169 nan 8.360 nan 0.000 0.410 496 D N 3.089 123.513 120.400 0.040 0.000 2.469 496 D HA 0.127 4.763 4.640 -0.007 0.000 0.215 496 D C -0.303 176.007 176.300 0.016 0.000 1.154 496 D CA -0.270 53.741 54.000 0.019 0.000 0.832 496 D CB -0.074 40.720 40.800 -0.010 0.000 1.008 496 D HN 0.458 nan 8.370 nan 0.000 0.506 497 N N 0.572 119.298 118.700 0.044 0.000 2.693 497 N HA -0.231 4.505 4.740 -0.007 0.000 0.249 497 N C 1.024 176.542 175.510 0.014 0.000 1.119 497 N CA 0.982 54.053 53.050 0.035 0.000 0.717 497 N CB -1.381 37.118 38.487 0.020 0.000 1.071 497 N HN 0.500 nan 8.380 nan 0.000 0.555 498 S N -1.073 114.636 115.700 0.014 0.000 2.400 498 S HA -0.084 4.381 4.470 -0.007 0.000 0.232 498 S C 2.096 176.711 174.600 0.025 0.000 1.025 498 S CA 1.061 59.266 58.200 0.010 0.000 0.993 498 S CB -0.165 63.040 63.200 0.010 0.000 0.808 498 S HN 0.525 nan 8.310 nan 0.000 0.478 499 A N 1.996 124.840 122.820 0.040 0.000 1.877 499 A HA 0.060 4.376 4.320 -0.007 0.000 0.216 499 A C 2.242 179.871 177.584 0.074 0.000 1.186 499 A CA 1.608 53.677 52.037 0.055 0.000 0.620 499 A CB -0.941 18.095 19.000 0.059 0.000 0.822 499 A HN 0.506 nan 8.150 nan 0.000 0.443 500 L N 0.147 121.418 121.223 0.080 0.000 2.093 500 L HA -0.148 4.188 4.340 -0.007 0.000 0.208 500 L C 2.005 178.916 176.870 0.067 0.000 1.085 500 L CA 2.618 57.524 54.840 0.110 0.000 0.755 500 L CB -0.559 41.568 42.059 0.114 0.000 0.904 500 L HN 0.480 nan 8.230 nan 0.000 0.435 501 D N -0.604 119.806 120.400 0.017 0.000 2.123 501 D HA -0.223 4.413 4.640 -0.007 0.000 0.196 501 D C 2.030 178.336 176.300 0.011 0.000 0.992 501 D CA 1.265 55.257 54.000 -0.014 0.000 0.833 501 D CB 0.076 40.856 40.800 -0.034 0.000 0.954 501 D HN 0.185 nan 8.370 nan 0.000 0.455 502 K N -0.226 120.193 120.400 0.032 0.000 2.032 502 K HA -0.114 4.202 4.320 -0.007 0.000 0.209 502 K C 2.363 179.000 176.600 0.063 0.000 1.048 502 K CA 0.987 57.299 56.287 0.042 0.000 0.927 502 K CB -0.439 32.090 32.500 0.047 0.000 0.712 502 K HN 0.368 nan 8.250 nan 0.000 0.441 503 M N 0.271 119.931 119.600 0.101 0.000 2.117 503 M HA -0.163 4.313 4.480 -0.007 0.000 0.262 503 M C 1.904 178.256 176.300 0.086 0.000 1.065 503 M CA 1.149 56.547 55.300 0.163 0.000 1.114 503 M CB -0.279 32.508 32.600 0.312 0.000 1.361 503 M HN -0.023 nan 8.290 nan 0.000 0.408 504 L N 0.254 121.484 121.223 0.011 0.000 2.362 504 L HA -0.120 4.216 4.340 -0.007 0.000 0.219 504 L C 2.302 179.150 176.870 -0.037 0.000 1.134 504 L CA 1.560 56.355 54.840 -0.074 0.000 0.807 504 L CB -0.896 41.123 42.059 -0.067 0.000 0.927 504 L HN 0.354 nan 8.230 nan 0.000 0.447 505 Q N -1.090 118.709 119.800 -0.002 0.000 2.230 505 Q HA -0.145 4.191 4.340 -0.007 0.000 0.202 505 Q C 1.838 177.851 176.000 0.022 0.000 0.963 505 Q CA 0.824 56.632 55.803 0.008 0.000 0.866 505 Q CB -0.126 28.621 28.738 0.014 0.000 0.931 505 Q HN 0.568 nan 8.270 nan 0.000 0.452 506 N N 0.723 119.445 118.700 0.037 0.000 2.409 506 N HA -0.070 4.666 4.740 -0.007 0.000 0.179 506 N C 0.178 175.721 175.510 0.055 0.000 1.032 506 N CA 0.262 53.347 53.050 0.058 0.000 0.898 506 N CB 0.529 39.069 38.487 0.088 0.000 0.971 506 N HN 0.041 nan 8.380 nan 0.000 0.441 507 V N 2.344 122.269 119.914 0.018 0.000 2.472 507 V HA 0.209 4.325 4.120 -0.007 0.000 0.290 507 V C -0.399 175.693 176.094 -0.003 0.000 1.037 507 V CA -0.767 61.540 62.300 0.012 0.000 0.908 507 V CB 1.538 33.335 31.823 -0.043 0.000 0.985 507 V HN 0.232 nan 8.190 nan 0.000 0.454 508 Q N 6.859 126.668 119.800 0.014 0.000 2.348 508 Q HA 0.345 4.680 4.340 -0.007 0.000 0.251 508 Q C -0.518 175.445 176.000 -0.062 0.000 1.113 508 Q CA -0.278 55.504 55.803 -0.034 0.000 0.902 508 Q CB 0.751 29.470 28.738 -0.032 0.000 1.333 508 Q HN 0.628 nan 8.270 nan 0.000 0.457 509 M N 3.723 123.274 119.600 -0.082 0.000 2.359 509 M HA 0.446 4.922 4.480 -0.007 0.000 0.322 509 M C -2.154 174.072 176.300 -0.123 0.000 1.166 509 M CA -2.507 52.738 55.300 -0.093 0.000 1.067 509 M CB 0.586 33.140 32.600 -0.076 0.000 1.523 509 M HN 0.523 nan 8.290 nan 0.000 0.467 510 P HA 0.211 nan 4.420 nan 0.000 0.276 510 P C -0.844 176.372 177.300 -0.140 0.000 1.244 510 P CA -0.343 62.661 63.100 -0.160 0.000 0.801 510 P CB 0.459 32.048 31.700 -0.184 0.000 1.006 511 S N 0.460 116.065 115.700 -0.159 0.000 2.690 511 S HA 0.526 4.992 4.470 -0.007 0.000 0.291 511 S C -0.313 174.194 174.600 -0.155 0.000 1.138 511 S CA -0.810 57.310 58.200 -0.132 0.000 1.013 511 S CB 1.393 64.512 63.200 -0.134 0.000 1.053 511 S HN 0.466 nan 8.310 nan 0.000 0.539 512 K N 0.842 121.179 120.400 -0.106 0.000 2.425 512 K HA 0.324 4.640 4.320 -0.007 0.000 0.259 512 K C -0.960 175.590 176.600 -0.084 0.000 0.978 512 K CA -0.441 55.788 56.287 -0.096 0.000 0.883 512 K CB 0.942 33.412 32.500 -0.051 0.000 1.110 512 K HN 0.652 nan 8.250 nan 0.000 0.436 513 K N 5.211 125.544 120.400 -0.112 0.000 2.201 513 K HA 0.270 4.586 4.320 -0.007 0.000 0.278 513 K C -1.236 175.327 176.600 -0.062 0.000 1.027 513 K CA -0.652 55.587 56.287 -0.082 0.000 0.909 513 K CB 0.850 33.293 32.500 -0.095 0.000 1.062 513 K HN 0.511 nan 8.250 nan 0.000 0.465 514 L N 5.140 126.334 121.223 -0.047 0.000 2.388 514 L HA 0.406 4.742 4.340 -0.007 0.000 0.267 514 L C -1.415 175.449 176.870 -0.011 0.000 0.995 514 L CA -0.110 54.724 54.840 -0.010 0.000 0.864 514 L CB 1.018 43.139 42.059 0.105 0.000 1.216 514 L HN 0.831 nan 8.230 nan 0.000 0.430 515 D N 3.473 123.624 120.400 -0.414 0.000 2.781 515 D HA 0.551 5.187 4.640 -0.007 0.000 0.295 515 D C -1.349 174.517 176.300 -0.722 0.000 1.143 515 D CA 0.014 53.705 54.000 -0.514 0.000 1.076 515 D CB 2.539 43.059 40.800 -0.467 0.000 1.444 515 D HN 0.269 nan 8.370 nan 0.000 0.567 516 F N -0.023 119.557 119.950 -0.617 0.000 2.588 516 F HA 0.651 5.174 4.527 -0.007 0.000 0.314 516 F C -0.427 175.436 175.800 0.105 0.000 1.069 516 F CA -1.125 56.613 58.000 -0.436 0.000 0.931 516 F CB 0.726 38.995 39.000 -1.220 0.000 1.260 516 F HN 0.227 nan 8.300 nan 0.000 0.465 517 I N 0.207 121.075 120.570 0.497 0.000 2.863 517 I HA 0.709 4.875 4.170 -0.007 0.000 0.311 517 I C -1.155 175.212 176.117 0.417 0.000 1.026 517 I CA -1.224 60.299 61.300 0.372 0.000 1.077 517 I CB 2.264 40.440 38.000 0.293 0.000 1.262 517 I HN 0.638 nan 8.210 nan 0.000 0.461 518 I N 4.216 124.964 120.570 0.297 0.000 2.382 518 I HA 0.350 4.516 4.170 -0.007 0.000 0.286 518 I C -1.179 175.074 176.117 0.227 0.000 1.002 518 I CA -0.556 60.897 61.300 0.256 0.000 1.135 518 I CB 1.617 39.733 38.000 0.192 0.000 1.288 518 I HN 0.325 nan 8.210 nan 0.000 0.448 519 L N 6.783 128.195 121.223 0.314 0.000 2.325 519 L HA 0.455 4.791 4.340 -0.007 0.000 0.281 519 L C 0.300 177.306 176.870 0.226 0.000 1.004 519 L CA -0.432 54.569 54.840 0.268 0.000 0.823 519 L CB 0.855 43.116 42.059 0.336 0.000 1.236 519 L HN 0.485 nan 8.230 nan 0.000 0.415 520 N N 2.896 121.671 118.700 0.125 0.000 2.727 520 N HA -0.245 4.491 4.740 -0.007 0.000 0.249 520 N C 0.147 175.698 175.510 0.069 0.000 1.048 520 N CA 1.179 54.279 53.050 0.083 0.000 0.714 520 N CB -0.776 37.756 38.487 0.075 0.000 0.959 520 N HN 0.820 nan 8.380 nan 0.000 0.544 521 E N -2.702 117.538 120.200 0.065 0.000 2.539 521 E HA -0.243 4.103 4.350 -0.007 0.000 0.253 521 E C -0.702 175.898 176.600 0.001 0.000 1.145 521 E CA 1.405 57.827 56.400 0.036 0.000 0.738 521 E CB -1.167 28.546 29.700 0.021 0.000 1.308 521 E HN 0.449 nan 8.360 nan 0.000 0.409 522 T N 0.255 114.809 114.554 0.001 0.000 2.829 522 T HA 0.390 4.736 4.350 -0.007 0.000 0.280 522 T C -0.006 174.565 174.700 -0.215 0.000 0.999 522 T CA -0.856 61.154 62.100 -0.149 0.000 0.983 522 T CB 1.574 70.313 68.868 -0.214 0.000 0.968 522 T HN -0.009 nan 8.240 nan 0.000 0.446 523 K N 1.807 122.006 120.400 -0.335 0.000 2.249 523 K HA 0.518 4.834 4.320 -0.007 0.000 0.280 523 K C -1.139 175.186 176.600 -0.458 0.000 1.033 523 K CA -0.229 55.865 56.287 -0.322 0.000 0.946 523 K CB 0.564 32.746 32.500 -0.530 0.000 1.005 523 K HN 0.393 nan 8.250 nan 0.000 0.469 524 F N 1.645 121.651 119.950 0.093 0.000 2.539 524 F HA 0.315 4.839 4.527 -0.006 0.000 0.318 524 F C -0.812 175.081 175.800 0.154 0.000 1.135 524 F CA -0.715 57.362 58.000 0.129 0.000 0.915 524 F CB 1.050 40.163 39.000 0.189 0.000 1.176 524 F HN 0.437 nan 8.300 nan 0.000 0.440 525 W N 3.782 125.216 121.300 0.223 0.000 2.449 525 W HA 0.570 5.225 4.660 -0.008 0.000 0.331 525 W C -0.717 175.982 176.519 0.300 0.000 1.119 525 W CA -0.613 56.883 57.345 0.250 0.000 1.240 525 W CB 0.935 30.479 29.460 0.140 0.000 1.251 525 W HN 0.436 nan 8.180 nan 0.000 0.576 526 Y N -0.271 120.366 120.300 0.562 0.000 2.588 526 Y HA 0.649 5.195 4.550 -0.006 0.000 0.343 526 Y C -0.977 175.144 175.900 0.369 0.000 1.065 526 Y CA -1.878 56.547 58.100 0.541 0.000 1.038 526 Y CB 1.173 40.113 38.460 0.800 0.000 1.297 526 Y HN 0.555 nan 8.280 nan 0.000 0.467 527 Q N 2.555 122.585 119.800 0.383 0.000 2.397 527 Q HA 0.724 5.059 4.340 -0.007 0.000 0.275 527 Q C -1.774 174.336 176.000 0.185 0.000 1.090 527 Q CA -1.153 54.759 55.803 0.182 0.000 0.809 527 Q CB 3.175 31.988 28.738 0.125 0.000 1.362 527 Q HN 0.879 nan 8.270 nan 0.000 0.431 528 M N 3.067 122.704 119.600 0.061 0.000 2.142 528 M HA 0.385 4.861 4.480 -0.007 0.000 0.299 528 M C -1.142 175.077 176.300 -0.136 0.000 0.960 528 M CA -0.924 54.341 55.300 -0.059 0.000 0.920 528 M CB 1.878 34.398 32.600 -0.132 0.000 1.541 528 M HN 0.621 nan 8.290 nan 0.000 0.429 529 I N 5.518 126.011 120.570 -0.128 0.000 2.347 529 I HA 0.225 4.391 4.170 -0.007 0.000 0.294 529 I C -0.262 175.704 176.117 -0.251 0.000 1.090 529 I CA -0.031 61.167 61.300 -0.169 0.000 1.314 529 I CB -0.475 37.443 38.000 -0.136 0.000 1.423 529 I HN 0.632 nan 8.210 nan 0.000 0.503 530 L N 8.703 129.726 121.223 -0.334 0.000 2.289 530 L HA 0.419 4.755 4.340 -0.007 0.000 0.285 530 L C -2.079 174.588 176.870 -0.339 0.000 1.049 530 L CA -1.748 52.797 54.840 -0.492 0.000 0.804 530 L CB 1.023 42.605 42.059 -0.794 0.000 1.195 530 L HN 0.278 nan 8.230 nan 0.000 0.428 531 P HA 0.057 nan 4.420 nan 0.000 0.269 531 P C -2.464 174.759 177.300 -0.128 0.000 1.217 531 P CA -0.793 62.209 63.100 -0.165 0.000 0.783 531 P CB -0.184 31.465 31.700 -0.085 0.000 0.898 532 P HA -0.047 nan 4.420 nan 0.000 0.269 532 P C -0.203 176.982 177.300 -0.192 0.000 1.217 532 P CA 0.680 63.608 63.100 -0.287 0.000 0.783 532 P CB -0.194 31.250 31.700 -0.428 0.000 0.898 533 H N -1.608 117.497 119.070 0.059 0.000 2.690 533 H HA -0.220 4.332 4.556 -0.007 0.000 0.309 533 H C 0.132 175.519 175.328 0.098 0.000 1.138 533 H CA -0.023 56.065 56.048 0.066 0.000 1.142 533 H CB -2.372 27.422 29.762 0.053 0.000 1.410 533 H HN 0.367 nan 8.280 nan 0.000 0.409 534 F N 2.453 122.388 119.950 -0.026 0.000 2.623 534 F HA 0.121 4.644 4.527 -0.007 0.000 0.383 534 F C 0.543 176.333 175.800 -0.017 0.000 1.077 534 F CA -0.040 57.887 58.000 -0.122 0.000 1.268 534 F CB 0.514 39.336 39.000 -0.297 0.000 1.053 534 F HN 0.160 nan 8.300 nan 0.000 0.571 535 D N 5.665 125.702 120.400 -0.605 0.000 2.454 535 D HA 0.147 4.783 4.640 -0.007 0.000 0.247 535 D C 0.560 176.455 176.300 -0.675 0.000 1.129 535 D CA -0.607 53.118 54.000 -0.459 0.000 0.877 535 D CB 1.021 41.744 40.800 -0.128 0.000 1.082 535 D HN 0.649 nan 8.370 nan 0.000 0.537 536 K N 0.861 120.829 120.400 -0.721 0.000 2.442 536 K HA -0.135 4.181 4.320 -0.007 0.000 0.199 536 K C 1.041 177.639 176.600 -0.003 0.000 1.044 536 K CA 1.387 57.448 56.287 -0.377 0.000 0.941 536 K CB -0.107 32.341 32.500 -0.086 0.000 0.759 536 K HN 0.188 nan 8.250 nan 0.000 0.472 537 S N -0.917 114.746 115.700 -0.062 0.000 2.540 537 S HA 0.185 4.651 4.470 -0.007 0.000 0.218 537 S C 0.376 174.963 174.600 -0.022 0.000 0.977 537 S CA -0.684 57.510 58.200 -0.010 0.000 0.918 537 S CB 0.181 63.365 63.200 -0.026 0.000 0.806 537 S HN 0.151 nan 8.310 nan 0.000 0.496 538 K N 1.451 121.826 120.400 -0.041 0.000 2.106 538 K HA 0.391 4.707 4.320 -0.007 0.000 0.246 538 K C -0.706 175.863 176.600 -0.050 0.000 0.987 538 K CA -0.606 55.616 56.287 -0.108 0.000 0.904 538 K CB 0.771 33.124 32.500 -0.244 0.000 1.071 538 K HN 0.018 nan 8.250 nan 0.000 0.453 539 K N 2.832 123.145 120.400 -0.146 0.000 2.334 539 K HA 0.216 4.532 4.320 -0.007 0.000 0.265 539 K C -0.882 175.628 176.600 -0.149 0.000 1.039 539 K CA -0.340 55.913 56.287 -0.057 0.000 0.920 539 K CB 0.514 32.976 32.500 -0.064 0.000 1.160 539 K HN 0.421 nan 8.250 nan 0.000 0.451 540 Y N 3.363 123.697 120.300 0.056 0.000 2.334 540 Y HA 0.212 4.758 4.550 -0.007 0.000 0.328 540 Y C -1.665 174.186 175.900 -0.081 0.000 1.130 540 Y CA -2.119 55.992 58.100 0.019 0.000 1.163 540 Y CB 0.828 39.359 38.460 0.119 0.000 1.207 540 Y HN 0.434 nan 8.280 nan 0.000 0.471 541 P HA 0.100 nan 4.420 nan 0.000 0.271 541 P C -1.029 176.146 177.300 -0.207 0.000 1.218 541 P CA -0.036 62.809 63.100 -0.424 0.000 0.780 541 P CB 1.362 32.552 31.700 -0.851 0.000 0.901 542 L N 3.251 124.364 121.223 -0.184 0.000 2.386 542 L HA 0.558 4.894 4.340 -0.007 0.000 0.271 542 L C -1.200 175.857 176.870 0.311 0.000 0.993 542 L CA -1.200 53.690 54.840 0.083 0.000 0.819 542 L CB 1.902 44.024 42.059 0.105 0.000 1.294 542 L HN 0.162 nan 8.230 nan 0.000 0.414 543 L N 5.248 126.679 121.223 0.347 0.000 2.319 543 L HA 0.491 4.826 4.340 -0.007 0.000 0.281 543 L C -1.267 175.853 176.870 0.415 0.000 1.005 543 L CA -0.356 54.752 54.840 0.447 0.000 0.828 543 L CB 1.570 43.852 42.059 0.373 0.000 1.227 543 L HN 0.609 nan 8.230 nan 0.000 0.415 544 L N 5.127 126.644 121.223 0.490 0.000 2.295 544 L HA 0.377 4.713 4.340 -0.007 0.000 0.288 544 L C -0.449 176.663 176.870 0.403 0.000 1.079 544 L CA 0.242 55.354 54.840 0.453 0.000 0.830 544 L CB 0.330 42.705 42.059 0.527 0.000 1.200 544 L HN 0.630 nan 8.230 nan 0.000 0.438 545 D N 4.203 124.816 120.400 0.356 0.000 2.316 545 D HA 0.234 4.870 4.640 -0.007 0.000 0.245 545 D C -1.004 175.382 176.300 0.143 0.000 1.171 545 D CA 0.127 54.254 54.000 0.212 0.000 0.856 545 D CB 1.309 42.301 40.800 0.320 0.000 1.090 545 D HN 0.326 nan 8.370 nan 0.000 0.476 546 V N 5.803 125.721 119.914 0.007 0.000 2.656 546 V HA 0.376 4.492 4.120 -0.007 0.000 0.307 546 V C -0.920 175.262 176.094 0.147 0.000 1.051 546 V CA -0.481 61.889 62.300 0.116 0.000 0.893 546 V CB 1.661 33.548 31.823 0.106 0.000 0.999 546 V HN 0.686 nan 8.190 nan 0.000 0.426 547 Y N 5.375 125.750 120.300 0.124 0.000 2.891 547 Y HA 0.545 5.091 4.550 -0.007 0.000 0.228 547 Y C 1.673 177.717 175.900 0.241 0.000 1.000 547 Y CA 1.248 59.448 58.100 0.167 0.000 1.491 547 Y CB 0.386 38.929 38.460 0.137 0.000 1.394 547 Y HN 0.936 nan 8.280 nan 0.000 0.477 548 A N 0.698 123.671 122.820 0.254 0.000 2.899 548 A HA -0.179 4.137 4.320 -0.007 0.000 0.257 548 A C 0.952 178.452 177.584 -0.140 0.000 1.335 548 A CA 0.776 52.905 52.037 0.153 0.000 0.924 548 A CB -2.531 16.605 19.000 0.227 0.000 1.105 548 A HN 0.866 nan 8.150 nan 0.000 0.765 549 G N -0.797 107.712 108.800 -0.485 0.000 2.699 549 G HA2 0.445 4.401 3.960 -0.007 0.000 0.246 549 G HA3 0.445 4.401 3.960 -0.007 0.000 0.246 549 G C -2.223 172.396 174.900 -0.469 0.000 1.219 549 G CA -0.471 43.954 45.100 -1.126 0.000 0.866 549 G HN 0.345 nan 8.290 nan 0.000 0.572 550 P HA 0.156 nan 4.420 nan 0.000 0.271 550 P C 0.519 177.673 177.300 -0.243 0.000 1.226 550 P CA -0.095 62.738 63.100 -0.445 0.000 0.765 550 P CB 0.928 31.983 31.700 -1.074 0.000 0.835 551 C N 2.289 121.511 119.300 -0.131 0.000 4.392 551 C HA -0.162 4.294 4.460 -0.007 0.000 0.280 551 C C 1.035 176.043 174.990 0.031 0.000 1.381 551 C CA 1.219 60.117 59.018 -0.200 0.000 1.871 551 C CB -2.714 24.720 27.740 -0.510 0.000 1.323 551 C HN 0.801 nan 8.230 nan 0.000 0.772 552 S N 0.134 115.922 115.700 0.148 0.000 2.593 552 S HA 0.470 4.936 4.470 -0.007 0.000 0.269 552 S C -0.551 174.213 174.600 0.274 0.000 1.334 552 S CA 0.294 58.662 58.200 0.280 0.000 1.015 552 S CB 1.452 64.879 63.200 0.377 0.000 0.912 552 S HN 0.798 nan 8.310 nan 0.000 0.541 553 Q N 0.093 120.076 119.800 0.306 0.000 2.309 553 Q HA 0.343 4.679 4.340 -0.007 0.000 0.254 553 Q C -0.712 175.415 176.000 0.212 0.000 0.938 553 Q CA -0.606 55.371 55.803 0.289 0.000 0.789 553 Q CB 0.996 29.964 28.738 0.383 0.000 1.313 553 Q HN 0.696 nan 8.270 nan 0.000 0.438 554 K N 0.922 121.446 120.400 0.207 0.000 2.373 554 K HA 0.336 4.652 4.320 -0.007 0.000 0.200 554 K C -0.416 176.294 176.600 0.183 0.000 1.054 554 K CA 0.269 56.669 56.287 0.188 0.000 1.065 554 K CB 1.581 34.220 32.500 0.231 0.000 0.886 554 K HN 0.492 nan 8.250 nan 0.000 0.546 555 A N 2.884 125.821 122.820 0.195 0.000 2.322 555 A HA 0.425 4.741 4.320 -0.007 0.000 0.327 555 A C -0.728 176.932 177.584 0.127 0.000 1.394 555 A CA -0.482 51.672 52.037 0.195 0.000 0.921 555 A CB 0.088 19.261 19.000 0.289 0.000 1.153 555 A HN 0.232 nan 8.150 nan 0.000 0.523 556 D N 0.026 120.481 120.400 0.093 0.000 2.812 556 D HA 0.421 5.057 4.640 -0.007 0.000 0.318 556 D C 0.430 176.766 176.300 0.061 0.000 1.234 556 D CA 0.330 54.380 54.000 0.083 0.000 0.989 556 D CB 0.274 41.148 40.800 0.122 0.000 1.442 556 D HN 0.178 nan 8.370 nan 0.000 0.537 557 T N -2.489 112.130 114.554 0.108 0.000 3.134 557 T HA 0.316 4.662 4.350 -0.007 0.000 0.260 557 T C 0.456 175.153 174.700 -0.005 0.000 1.027 557 T CA -0.344 61.807 62.100 0.085 0.000 0.913 557 T CB -0.570 68.388 68.868 0.149 0.000 1.046 557 T HN 0.258 nan 8.240 nan 0.000 0.553 558 V N 2.751 122.552 119.914 -0.188 0.000 2.655 558 V HA 0.294 4.410 4.120 -0.007 0.000 0.300 558 V C 0.083 176.124 176.094 -0.089 0.000 1.044 558 V CA -0.748 61.380 62.300 -0.287 0.000 1.095 558 V CB -0.002 31.516 31.823 -0.509 0.000 0.952 558 V HN 0.586 nan 8.190 nan 0.000 0.485 559 F N 6.550 126.404 119.950 -0.159 0.000 2.411 559 F HA 0.599 5.122 4.527 -0.007 0.000 0.350 559 F C 0.415 176.158 175.800 -0.097 0.000 1.114 559 F CA -0.280 57.653 58.000 -0.112 0.000 1.135 559 F CB 0.372 39.315 39.000 -0.094 0.000 1.120 559 F HN 0.418 nan 8.300 nan 0.000 0.495 560 R N 6.327 126.295 120.500 -0.886 0.000 2.744 560 R HA 0.590 4.926 4.340 -0.007 0.000 0.279 560 R C -1.664 174.175 176.300 -0.768 0.000 0.977 560 R CA -1.106 54.630 56.100 -0.608 0.000 0.906 560 R CB 2.238 32.358 30.300 -0.301 0.000 1.197 560 R HN 0.683 nan 8.270 nan 0.000 0.463 561 L N 3.857 124.838 121.223 -0.402 0.000 2.318 561 L HA 0.427 4.763 4.340 -0.007 0.000 0.277 561 L C -0.607 176.226 176.870 -0.062 0.000 1.008 561 L CA -0.599 54.077 54.840 -0.273 0.000 0.846 561 L CB 0.815 42.861 42.059 -0.022 0.000 1.220 561 L HN 0.780 nan 8.230 nan 0.000 0.423 562 N N 0.408 118.981 118.700 -0.212 0.000 3.506 562 N HA 0.170 4.906 4.740 -0.007 0.000 0.331 562 N C 0.118 175.225 175.510 -0.671 0.000 1.631 562 N CA -0.862 51.939 53.050 -0.414 0.000 0.786 562 N CB 0.123 38.509 38.487 -0.169 0.000 2.023 562 N HN 0.327 nan 8.380 nan 0.000 0.621 563 W N 0.566 121.283 121.300 -0.971 0.000 2.358 563 W HA 0.249 4.905 4.660 -0.007 0.000 0.303 563 W C 2.086 178.573 176.519 -0.053 0.000 1.208 563 W CA 2.728 59.776 57.345 -0.496 0.000 1.274 563 W CB -0.962 28.361 29.460 -0.227 0.000 1.138 563 W HN 0.697 nan 8.180 nan 0.000 0.515 564 A N -0.246 122.533 122.820 -0.068 0.000 1.908 564 A HA -0.237 4.079 4.320 -0.007 0.000 0.218 564 A C 1.964 179.420 177.584 -0.212 0.000 1.181 564 A CA 2.756 54.689 52.037 -0.174 0.000 0.627 564 A CB -1.393 17.592 19.000 -0.026 0.000 0.818 564 A HN 0.294 nan 8.150 nan 0.000 0.445 565 T N -1.122 113.306 114.554 -0.210 0.000 2.665 565 T HA -0.275 4.071 4.350 -0.007 0.000 0.268 565 T C 1.766 176.421 174.700 -0.074 0.000 1.035 565 T CA 1.890 63.819 62.100 -0.285 0.000 1.151 565 T CB -0.618 67.875 68.868 -0.626 0.000 0.862 565 T HN 0.692 nan 8.240 nan 0.000 0.438 566 Y N 1.845 122.186 120.300 0.069 0.000 2.128 566 Y HA -0.126 4.420 4.550 -0.007 0.000 0.284 566 Y C 2.043 177.928 175.900 -0.024 0.000 1.154 566 Y CA 1.172 59.388 58.100 0.194 0.000 1.149 566 Y CB -0.556 38.026 38.460 0.204 0.000 0.976 566 Y HN 0.111 nan 8.280 nan 0.000 0.505 567 L N 0.350 121.147 121.223 -0.710 0.000 2.083 567 L HA -0.202 4.134 4.340 -0.007 0.000 0.209 567 L C 2.854 179.475 176.870 -0.416 0.000 1.083 567 L CA 1.244 55.609 54.840 -0.792 0.000 0.752 567 L CB -0.847 40.787 42.059 -0.708 0.000 0.899 567 L HN 0.434 nan 8.230 nan 0.000 0.433 568 A N -1.427 121.223 122.820 -0.283 0.000 1.898 568 A HA -0.155 4.161 4.320 -0.007 0.000 0.214 568 A C 2.508 180.013 177.584 -0.133 0.000 1.183 568 A CA 1.663 53.588 52.037 -0.186 0.000 0.622 568 A CB -0.537 18.349 19.000 -0.190 0.000 0.824 568 A HN 0.309 nan 8.150 nan 0.000 0.444 569 S N -1.081 114.556 115.700 -0.105 0.000 2.355 569 S HA -0.107 4.359 4.470 -0.007 0.000 0.222 569 S C 2.042 176.648 174.600 0.009 0.000 1.031 569 S CA 2.230 60.419 58.200 -0.019 0.000 0.993 569 S CB -0.371 62.880 63.200 0.085 0.000 0.859 569 S HN 0.601 nan 8.310 nan 0.000 0.453 570 T N 1.465 116.008 114.554 -0.020 0.000 2.866 570 T HA 0.143 4.489 4.350 -0.007 0.000 0.250 570 T C 1.393 176.065 174.700 -0.047 0.000 1.033 570 T CA 0.619 62.727 62.100 0.015 0.000 1.145 570 T CB -0.213 68.734 68.868 0.133 0.000 0.866 570 T HN 0.300 nan 8.240 nan 0.000 0.434 571 E N 1.330 121.414 120.200 -0.193 0.000 2.489 571 E HA 0.134 4.480 4.350 -0.007 0.000 0.193 571 E C -0.090 176.495 176.600 -0.025 0.000 1.057 571 E CA -0.084 56.243 56.400 -0.122 0.000 0.866 571 E CB -0.489 29.069 29.700 -0.237 0.000 0.916 571 E HN 0.501 nan 8.360 nan 0.000 0.500 572 N N 0.646 119.343 118.700 -0.004 0.000 2.714 572 N HA -0.198 4.537 4.740 -0.007 0.000 0.252 572 N C -0.936 174.669 175.510 0.158 0.000 1.014 572 N CA 0.354 53.473 53.050 0.115 0.000 0.735 572 N CB -1.189 37.420 38.487 0.204 0.000 0.924 572 N HN 0.234 nan 8.380 nan 0.000 0.540 573 I N 0.864 121.450 120.570 0.027 0.000 2.339 573 I HA 0.306 4.472 4.170 -0.007 0.000 0.290 573 I C 0.590 176.688 176.117 -0.032 0.000 0.994 573 I CA -0.852 60.473 61.300 0.041 0.000 1.191 573 I CB 1.140 39.171 38.000 0.052 0.000 1.343 573 I HN 0.046 nan 8.210 nan 0.000 0.458 574 I N 6.888 127.446 120.570 -0.020 0.000 2.587 574 I HA 0.055 4.221 4.170 -0.007 0.000 0.284 574 I C 0.114 176.222 176.117 -0.015 0.000 1.134 574 I CA 0.075 61.321 61.300 -0.090 0.000 1.410 574 I CB 0.752 38.709 38.000 -0.072 0.000 1.392 574 I HN 0.321 nan 8.210 nan 0.000 0.545 575 V N 7.057 126.947 119.914 -0.039 0.000 2.384 575 V HA 0.853 4.969 4.120 -0.007 0.000 0.287 575 V C -0.035 176.087 176.094 0.047 0.000 1.020 575 V CA -0.133 62.197 62.300 0.051 0.000 0.850 575 V CB 1.272 33.131 31.823 0.060 0.000 0.987 575 V HN 0.801 nan 8.190 nan 0.000 0.436 576 A N 4.883 127.767 122.820 0.107 0.000 2.354 576 A HA 0.982 5.298 4.320 -0.007 0.000 0.321 576 A C -0.188 177.554 177.584 0.263 0.000 1.125 576 A CA -0.611 51.484 52.037 0.096 0.000 0.799 576 A CB 2.056 20.979 19.000 -0.129 0.000 1.293 576 A HN 1.096 nan 8.150 nan 0.000 0.452 577 S N -0.462 115.437 115.700 0.333 0.000 2.546 577 S HA 0.738 5.204 4.470 -0.007 0.000 0.274 577 S C -1.486 173.468 174.600 0.591 0.000 1.121 577 S CA -0.319 58.126 58.200 0.409 0.000 0.887 577 S CB 1.383 64.764 63.200 0.301 0.000 1.094 577 S HN 0.857 nan 8.310 nan 0.000 0.474 578 F N 1.725 121.921 119.950 0.410 0.000 2.574 578 F HA 0.470 4.993 4.527 -0.007 0.000 0.313 578 F C -1.629 174.386 175.800 0.358 0.000 1.130 578 F CA -0.663 57.610 58.000 0.455 0.000 0.936 578 F CB 1.479 40.736 39.000 0.429 0.000 1.219 578 F HN 0.405 nan 8.300 nan 0.000 0.445 579 D N 4.813 125.049 120.400 -0.273 0.000 2.467 579 D HA 0.347 4.983 4.640 -0.007 0.000 0.220 579 D C 0.413 176.419 176.300 -0.490 0.000 1.103 579 D CA 0.140 54.040 54.000 -0.167 0.000 0.886 579 D CB 1.422 42.269 40.800 0.078 0.000 1.025 579 D HN 0.766 nan 8.370 nan 0.000 0.514 580 G N 1.361 109.980 108.800 -0.301 0.000 2.695 580 G HA2 0.265 4.221 3.960 -0.007 0.000 0.213 580 G HA3 0.265 4.221 3.960 -0.007 0.000 0.213 580 G C 0.230 175.153 174.900 0.038 0.000 1.406 580 G CA -0.678 44.290 45.100 -0.221 0.000 1.049 580 G HN 0.283 nan 8.290 nan 0.000 0.573 581 R N -0.788 119.714 120.500 0.003 0.000 2.679 581 R HA 0.369 4.705 4.340 -0.007 0.000 0.268 581 R C 1.309 177.715 176.300 0.177 0.000 1.044 581 R CA 1.346 57.547 56.100 0.168 0.000 1.105 581 R CB 0.456 30.839 30.300 0.138 0.000 0.989 581 R HN 1.032 nan 8.270 nan 0.000 0.447 582 G N 0.878 109.779 108.800 0.167 0.000 2.253 582 G HA2 -0.349 3.607 3.960 -0.007 0.000 0.251 582 G HA3 -0.349 3.607 3.960 -0.007 0.000 0.251 582 G C 0.188 175.129 174.900 0.067 0.000 0.998 582 G CA 0.315 45.489 45.100 0.124 0.000 0.621 582 G HN 0.752 nan 8.290 nan 0.000 0.524 583 S N 0.461 116.216 115.700 0.092 0.000 2.584 583 S HA 0.627 5.093 4.470 -0.007 0.000 0.270 583 S C 0.871 175.465 174.600 -0.009 0.000 1.346 583 S CA 0.597 58.841 58.200 0.073 0.000 1.018 583 S CB 1.710 64.988 63.200 0.129 0.000 0.899 583 S HN 1.699 nan 8.310 nan 0.000 0.542 584 G N -0.402 108.349 108.800 -0.083 0.000 2.552 584 G HA2 0.499 4.455 3.960 -0.007 0.000 0.318 584 G HA3 0.499 4.455 3.960 -0.007 0.000 0.318 584 G C -0.860 173.895 174.900 -0.242 0.000 1.240 584 G CA -1.088 43.783 45.100 -0.381 0.000 1.002 584 G HN 1.069 nan 8.290 nan 0.000 0.493 585 Y N -2.300 117.996 120.300 -0.008 0.000 4.177 585 Y HA -0.232 4.314 4.550 -0.007 0.000 0.227 585 Y C 1.246 177.149 175.900 0.005 0.000 1.154 585 Y CA 1.000 59.101 58.100 0.003 0.000 1.887 585 Y CB -2.096 36.383 38.460 0.032 0.000 1.594 585 Y HN 0.528 nan 8.280 nan 0.000 0.668 586 Q N -0.164 119.648 119.800 0.019 0.000 2.057 586 Q HA 0.478 4.814 4.340 -0.007 0.000 0.216 586 Q C 0.873 176.752 176.000 -0.202 0.000 0.788 586 Q CA 0.142 55.965 55.803 0.033 0.000 1.053 586 Q CB 1.841 30.596 28.738 0.028 0.000 1.210 586 Q HN 0.613 nan 8.270 nan 0.000 0.455 587 G N 0.833 109.372 108.800 -0.434 0.000 2.662 587 G HA2 -0.183 3.773 3.960 -0.007 0.000 0.686 587 G HA3 -0.183 3.773 3.960 -0.007 0.000 0.686 587 G C -0.507 174.010 174.900 -0.639 0.000 1.271 587 G CA -0.467 44.088 45.100 -0.909 0.000 0.816 587 G HN 0.087 nan 8.290 nan 0.000 0.608 588 D N 0.012 119.996 120.400 -0.693 0.000 2.183 588 D HA -0.046 4.590 4.640 -0.007 0.000 0.203 588 D C 2.275 178.280 176.300 -0.492 0.000 0.969 588 D CA 1.489 55.034 54.000 -0.757 0.000 0.842 588 D CB -0.002 40.302 40.800 -0.827 0.000 0.957 588 D HN 0.582 nan 8.370 nan 0.000 0.484 589 K N 1.263 121.438 120.400 -0.374 0.000 2.020 589 K HA -0.146 4.170 4.320 -0.007 0.000 0.212 589 K C 1.919 178.442 176.600 -0.129 0.000 1.050 589 K CA 1.256 57.420 56.287 -0.204 0.000 0.929 589 K CB -0.597 31.801 32.500 -0.170 0.000 0.714 589 K HN 0.134 nan 8.250 nan 0.000 0.443 590 I N 0.043 120.527 120.570 -0.143 0.000 2.233 590 I HA -0.193 3.973 4.170 -0.007 0.000 0.243 590 I C 2.712 178.826 176.117 -0.005 0.000 1.093 590 I CA 1.497 62.788 61.300 -0.014 0.000 1.380 590 I CB -0.187 37.812 38.000 -0.002 0.000 1.067 590 I HN 0.338 nan 8.210 nan 0.000 0.413 591 M N -0.078 119.442 119.600 -0.133 0.000 2.132 591 M HA -0.218 4.258 4.480 -0.007 0.000 0.263 591 M C 1.871 178.207 176.300 0.059 0.000 1.065 591 M CA 1.950 57.194 55.300 -0.092 0.000 1.122 591 M CB -0.274 32.164 32.600 -0.270 0.000 1.365 591 M HN 0.263 nan 8.290 nan 0.000 0.411 592 H N -0.767 118.208 119.070 -0.159 0.000 2.547 592 H HA 0.187 4.739 4.556 -0.006 0.000 0.266 592 H C 1.813 177.170 175.328 0.047 0.000 0.988 592 H CA 0.105 56.065 56.048 -0.147 0.000 1.147 592 H CB 0.198 29.775 29.762 -0.308 0.000 1.365 592 H HN 0.515 nan 8.280 nan 0.000 0.589 593 A N 1.478 124.413 122.820 0.191 0.000 1.972 593 A HA -0.133 4.183 4.320 -0.007 0.000 0.219 593 A C 1.863 179.668 177.584 0.368 0.000 1.169 593 A CA 1.126 53.294 52.037 0.219 0.000 0.635 593 A CB -0.438 18.646 19.000 0.140 0.000 0.810 593 A HN 0.422 nan 8.150 nan 0.000 0.446 594 I N -1.945 118.817 120.570 0.319 0.000 3.806 594 I HA 0.152 4.318 4.170 -0.007 0.000 0.321 594 I C 0.280 176.506 176.117 0.181 0.000 1.315 594 I CA -0.985 60.461 61.300 0.242 0.000 1.148 594 I CB -1.258 36.852 38.000 0.183 0.000 1.028 594 I HN 0.210 nan 8.210 nan 0.000 0.415 595 N N 3.045 121.898 118.700 0.255 0.000 2.440 595 N HA -0.026 4.710 4.740 -0.007 0.000 0.265 595 N C 0.148 175.703 175.510 0.074 0.000 1.239 595 N CA 0.131 53.329 53.050 0.246 0.000 0.909 595 N CB 0.242 38.849 38.487 0.201 0.000 1.066 595 N HN 0.378 nan 8.380 nan 0.000 0.474 596 R N 1.217 121.728 120.500 0.017 0.000 3.963 596 R HA -0.132 4.204 4.340 -0.007 0.000 0.394 596 R C -0.331 175.841 176.300 -0.213 0.000 1.131 596 R CA 0.730 56.790 56.100 -0.067 0.000 1.059 596 R CB -0.818 29.461 30.300 -0.035 0.000 1.614 596 R HN 0.676 nan 8.270 nan 0.000 0.546 597 R N 0.144 120.514 120.500 -0.216 0.000 2.635 597 R HA 0.181 4.517 4.340 -0.007 0.000 0.393 597 R C -0.682 175.588 176.300 -0.050 0.000 1.070 597 R CA -0.611 55.220 56.100 -0.448 0.000 1.118 597 R CB 0.388 30.432 30.300 -0.428 0.000 1.341 597 R HN -0.110 nan 8.270 nan 0.000 0.628 598 L N 0.544 121.817 121.223 0.083 0.000 2.485 598 L HA 0.205 4.541 4.340 -0.007 0.000 0.275 598 L C 1.519 178.644 176.870 0.426 0.000 1.207 598 L CA 1.640 56.586 54.840 0.176 0.000 0.855 598 L CB 0.291 42.258 42.059 -0.154 0.000 1.114 598 L HN 0.746 nan 8.230 nan 0.000 0.485 599 G N 0.888 109.959 108.800 0.451 0.000 2.149 599 G HA2 -0.283 3.673 3.960 -0.007 0.000 0.235 599 G HA3 -0.283 3.673 3.960 -0.007 0.000 0.235 599 G C 0.511 175.482 174.900 0.119 0.000 1.018 599 G CA 0.861 46.144 45.100 0.305 0.000 0.728 599 G HN 0.922 nan 8.290 nan 0.000 0.508 600 T N -3.646 110.942 114.554 0.057 0.000 3.257 600 T HA 0.476 4.822 4.350 -0.007 0.000 0.176 600 T C 1.625 176.282 174.700 -0.070 0.000 0.892 600 T CA 0.903 62.924 62.100 -0.131 0.000 1.147 600 T CB 0.006 68.605 68.868 -0.450 0.000 1.840 600 T HN 0.150 nan 8.240 nan 0.000 0.375 601 F N 3.370 123.367 119.950 0.077 0.000 2.171 601 F HA 0.108 4.631 4.527 -0.006 0.000 0.300 601 F C 2.822 178.659 175.800 0.062 0.000 1.090 601 F CA 1.165 59.198 58.000 0.054 0.000 1.293 601 F CB -0.658 38.372 39.000 0.050 0.000 1.013 601 F HN 0.509 nan 8.300 nan 0.000 0.486 602 E N 0.875 121.234 120.200 0.265 0.000 2.153 602 E HA -0.127 4.219 4.350 -0.007 0.000 0.194 602 E C 2.076 178.783 176.600 0.179 0.000 0.988 602 E CA 1.443 57.976 56.400 0.222 0.000 0.811 602 E CB -0.983 28.861 29.700 0.239 0.000 0.746 602 E HN 0.297 nan 8.360 nan 0.000 0.466 603 V N 1.663 121.653 119.914 0.127 0.000 2.255 603 V HA -0.206 3.910 4.120 -0.007 0.000 0.243 603 V C 2.379 178.503 176.094 0.049 0.000 1.038 603 V CA 2.098 64.423 62.300 0.042 0.000 1.008 603 V CB -0.658 31.142 31.823 -0.039 0.000 0.645 603 V HN 0.198 nan 8.190 nan 0.000 0.449 604 E N 0.246 120.489 120.200 0.072 0.000 2.130 604 E HA -0.267 4.079 4.350 -0.007 0.000 0.196 604 E C 1.900 178.527 176.600 0.046 0.000 0.998 604 E CA 1.672 58.115 56.400 0.072 0.000 0.806 604 E CB -0.198 29.580 29.700 0.131 0.000 0.738 604 E HN 0.593 nan 8.360 nan 0.000 0.459 605 D N 0.137 120.581 120.400 0.073 0.000 2.178 605 D HA -0.124 4.512 4.640 -0.007 0.000 0.202 605 D C 1.984 178.256 176.300 -0.048 0.000 0.974 605 D CA 0.686 54.697 54.000 0.019 0.000 0.841 605 D CB -0.138 40.729 40.800 0.111 0.000 0.953 605 D HN 0.107 nan 8.370 nan 0.000 0.478 606 Q N 0.283 120.127 119.800 0.072 0.000 2.084 606 Q HA -0.078 4.258 4.340 -0.007 0.000 0.202 606 Q C 2.557 178.585 176.000 0.047 0.000 0.978 606 Q CA 0.644 56.492 55.803 0.075 0.000 0.844 606 Q CB -0.238 28.574 28.738 0.123 0.000 0.898 606 Q HN 0.430 nan 8.270 nan 0.000 0.426 607 I N 0.604 121.219 120.570 0.075 0.000 2.226 607 I HA -0.256 3.910 4.170 -0.007 0.000 0.245 607 I C 2.399 178.467 176.117 -0.082 0.000 1.100 607 I CA 1.170 62.554 61.300 0.140 0.000 1.374 607 I CB -0.199 37.876 38.000 0.126 0.000 1.057 607 I HN 0.146 nan 8.210 nan 0.000 0.413 608 E N 1.463 121.560 120.200 -0.171 0.000 2.110 608 E HA -0.193 4.153 4.350 -0.007 0.000 0.193 608 E C 2.115 178.402 176.600 -0.521 0.000 0.988 608 E CA 1.570 57.803 56.400 -0.279 0.000 0.804 608 E CB -0.177 29.386 29.700 -0.228 0.000 0.745 608 E HN 0.406 nan 8.360 nan 0.000 0.458 609 A N 0.949 123.298 122.820 -0.785 0.000 1.892 609 A HA -0.154 4.162 4.320 -0.007 0.000 0.218 609 A C 2.489 179.275 177.584 -1.330 0.000 1.188 609 A CA 2.487 53.710 52.037 -1.357 0.000 0.631 609 A CB -1.232 16.835 19.000 -1.555 0.000 0.822 609 A HN 0.405 nan 8.150 nan 0.000 0.447 610 A N -0.549 121.892 122.820 -0.632 0.000 1.933 610 A HA -0.172 4.144 4.320 -0.007 0.000 0.218 610 A C 2.248 179.617 177.584 -0.359 0.000 1.175 610 A CA 1.563 53.394 52.037 -0.344 0.000 0.628 610 A CB -0.480 18.360 19.000 -0.267 0.000 0.814 610 A HN 0.567 nan 8.150 nan 0.000 0.444 611 R N -0.671 119.613 120.500 -0.360 0.000 2.073 611 R HA -0.141 4.195 4.340 -0.007 0.000 0.234 611 R C 2.459 178.588 176.300 -0.284 0.000 1.134 611 R CA 1.563 57.497 56.100 -0.277 0.000 0.952 611 R CB -0.345 29.822 30.300 -0.222 0.000 0.850 611 R HN 0.614 nan 8.270 nan 0.000 0.433 612 Q N -0.226 119.334 119.800 -0.400 0.000 2.124 612 Q HA -0.146 4.190 4.340 -0.007 0.000 0.202 612 Q C 2.062 177.911 176.000 -0.251 0.000 0.977 612 Q CA 1.331 56.924 55.803 -0.350 0.000 0.850 612 Q CB -0.168 28.300 28.738 -0.449 0.000 0.901 612 Q HN 0.293 nan 8.270 nan 0.000 0.429 613 F N 0.819 120.600 119.950 -0.281 0.000 2.146 613 F HA -0.122 4.400 4.527 -0.007 0.000 0.298 613 F C 2.738 178.347 175.800 -0.318 0.000 1.096 613 F CA 1.029 58.850 58.000 -0.299 0.000 1.275 613 F CB -1.300 37.568 39.000 -0.220 0.000 1.008 613 F HN 0.016 nan 8.300 nan 0.000 0.480 614 S N -0.297 115.354 115.700 -0.082 0.000 2.399 614 S HA -0.176 4.289 4.470 -0.007 0.000 0.231 614 S C 2.156 176.654 174.600 -0.171 0.000 1.022 614 S CA 1.025 59.142 58.200 -0.139 0.000 0.983 614 S CB -0.287 62.828 63.200 -0.142 0.000 0.803 614 S HN 0.157 nan 8.310 nan 0.000 0.480 615 K N 0.356 120.656 120.400 -0.167 0.000 2.504 615 K HA 0.163 4.479 4.320 -0.007 0.000 0.195 615 K C 1.476 177.973 176.600 -0.172 0.000 1.036 615 K CA 0.400 56.598 56.287 -0.149 0.000 0.984 615 K CB -0.198 32.225 32.500 -0.129 0.000 0.788 615 K HN 0.508 nan 8.250 nan 0.000 0.488 616 M N -1.418 118.021 119.600 -0.268 0.000 2.595 616 M HA 0.006 4.482 4.480 -0.007 0.000 0.248 616 M C 1.182 177.210 176.300 -0.454 0.000 1.119 616 M CA 0.848 55.924 55.300 -0.374 0.000 1.079 616 M CB 0.445 32.714 32.600 -0.553 0.000 1.472 616 M HN 0.340 nan 8.290 nan 0.000 0.501 617 G N 0.879 109.459 108.800 -0.368 0.000 2.258 617 G HA2 -0.294 3.662 3.960 -0.007 0.000 0.233 617 G HA3 -0.294 3.662 3.960 -0.007 0.000 0.233 617 G C 0.476 175.321 174.900 -0.093 0.000 1.006 617 G CA 0.261 45.251 45.100 -0.184 0.000 0.620 617 G HN 0.602 nan 8.290 nan 0.000 0.511 618 F N 0.611 120.609 119.950 0.081 0.000 2.684 618 F HA 0.786 5.308 4.527 -0.007 0.000 0.298 618 F C 0.085 175.988 175.800 0.172 0.000 1.120 618 F CA -0.952 57.127 58.000 0.131 0.000 1.332 618 F CB 0.448 39.564 39.000 0.195 0.000 0.986 618 F HN 0.058 nan 8.300 nan 0.000 0.524 619 V N 1.429 121.380 119.914 0.063 0.000 2.417 619 V HA 0.182 4.298 4.120 -0.007 0.000 0.291 619 V C -0.701 175.393 176.094 -0.000 0.000 1.024 619 V CA -0.727 61.616 62.300 0.072 0.000 0.861 619 V CB 1.571 33.386 31.823 -0.014 0.000 0.985 619 V HN 0.130 nan 8.190 nan 0.000 0.436 620 D N 4.092 124.484 120.400 -0.013 0.000 2.374 620 D HA 0.045 4.681 4.640 -0.007 0.000 0.240 620 D C 1.080 177.326 176.300 -0.090 0.000 1.229 620 D CA -0.287 53.673 54.000 -0.068 0.000 0.895 620 D CB 0.603 41.341 40.800 -0.103 0.000 1.046 620 D HN 0.637 nan 8.370 nan 0.000 0.498 621 N N 2.981 121.632 118.700 -0.082 0.000 2.515 621 N HA -0.110 4.626 4.740 -0.007 0.000 0.191 621 N C 0.550 176.015 175.510 -0.075 0.000 1.182 621 N CA 0.390 53.384 53.050 -0.093 0.000 0.879 621 N CB -0.075 38.349 38.487 -0.105 0.000 0.984 621 N HN 0.344 nan 8.380 nan 0.000 0.453 622 K N -0.113 120.249 120.400 -0.063 0.000 2.444 622 K HA 0.186 4.502 4.320 -0.007 0.000 0.193 622 K C 0.085 176.678 176.600 -0.013 0.000 1.024 622 K CA 0.204 56.472 56.287 -0.032 0.000 1.077 622 K CB 0.392 32.876 32.500 -0.028 0.000 0.833 622 K HN 0.182 nan 8.250 nan 0.000 0.517 623 R N 1.128 121.581 120.500 -0.079 0.000 2.638 623 R HA 0.318 4.654 4.340 -0.007 0.000 0.261 623 R C -1.014 175.168 176.300 -0.197 0.000 1.515 623 R CA -0.146 55.854 56.100 -0.166 0.000 1.623 623 R CB 0.551 30.548 30.300 -0.506 0.000 1.347 623 R HN -0.001 nan 8.270 nan 0.000 0.705 624 I N 1.279 121.895 120.570 0.077 0.000 2.355 624 I HA 0.474 4.640 4.170 -0.007 0.000 0.288 624 I C 0.250 176.654 176.117 0.478 0.000 0.999 624 I CA -0.594 60.806 61.300 0.167 0.000 1.163 624 I CB 1.741 39.685 38.000 -0.094 0.000 1.316 624 I HN 0.266 nan 8.210 nan 0.000 0.454 625 A N 7.212 130.450 122.820 0.698 0.000 2.282 625 A HA 0.915 5.231 4.320 -0.007 0.000 0.324 625 A C -0.868 177.117 177.584 0.668 0.000 1.119 625 A CA -0.636 51.792 52.037 0.651 0.000 0.880 625 A CB 1.710 20.977 19.000 0.445 0.000 1.294 625 A HN 0.723 nan 8.150 nan 0.000 0.493 626 I N -0.066 120.794 120.570 0.483 0.000 2.752 626 I HA 0.682 4.847 4.170 -0.007 0.000 0.295 626 I C -1.985 174.393 176.117 0.435 0.000 1.219 626 I CA -0.566 60.936 61.300 0.337 0.000 1.030 626 I CB 1.722 39.617 38.000 -0.176 0.000 1.259 626 I HN 0.936 nan 8.210 nan 0.000 0.423 627 W N 6.890 128.324 121.300 0.222 0.000 3.213 627 W HA 0.829 5.485 4.660 -0.007 0.000 0.318 627 W C -1.464 175.204 176.519 0.250 0.000 1.248 627 W CA -0.863 56.619 57.345 0.229 0.000 1.187 627 W CB 0.970 30.615 29.460 0.307 0.000 1.403 627 W HN 0.839 nan 8.180 nan 0.000 0.556 628 G N 0.876 109.580 108.800 -0.161 0.000 2.608 628 G HA2 0.536 4.492 3.960 -0.007 0.000 0.291 628 G HA3 0.536 4.492 3.960 -0.007 0.000 0.291 628 G C -2.825 172.024 174.900 -0.085 0.000 1.425 628 G CA -0.712 44.148 45.100 -0.401 0.000 0.787 628 G HN 0.621 nan 8.290 nan 0.000 0.484 629 W N 0.790 121.984 121.300 -0.176 0.000 2.785 629 W HA 0.561 5.217 4.660 -0.007 0.000 0.333 629 W C 0.685 177.262 176.519 0.098 0.000 1.062 629 W CA 0.341 57.675 57.345 -0.018 0.000 1.233 629 W CB 1.577 31.039 29.460 0.003 0.000 1.413 629 W HN 1.184 nan 8.180 nan 0.000 0.489 630 S N 2.087 118.060 115.700 0.454 0.000 4.118 630 S HA -0.427 4.039 4.470 -0.007 0.000 0.624 630 S C 0.842 175.528 174.600 0.143 0.000 1.929 630 S CA 1.510 59.976 58.200 0.443 0.000 4.219 630 S CB -1.560 62.072 63.200 0.719 0.000 0.206 630 S HN 0.771 nan 8.310 nan 0.000 0.525 631 Y N 2.950 123.193 120.300 -0.095 0.000 2.207 631 Y HA -0.042 4.504 4.550 -0.006 0.000 0.287 631 Y C 2.469 178.247 175.900 -0.203 0.000 1.156 631 Y CA 2.164 60.125 58.100 -0.232 0.000 1.182 631 Y CB -0.922 37.250 38.460 -0.481 0.000 0.979 631 Y HN 0.580 nan 8.280 nan 0.000 0.521 632 G N -0.929 107.818 108.800 -0.088 0.000 2.432 632 G HA2 -0.234 3.722 3.960 -0.007 0.000 0.219 632 G HA3 -0.234 3.722 3.960 -0.007 0.000 0.219 632 G C 1.830 176.738 174.900 0.014 0.000 1.135 632 G CA 0.730 45.834 45.100 0.007 0.000 0.767 632 G HN 0.566 nan 8.290 nan 0.000 0.550 633 G N -0.308 108.512 108.800 0.033 0.000 2.408 633 G HA2 -0.191 3.765 3.960 -0.007 0.000 0.217 633 G HA3 -0.191 3.765 3.960 -0.007 0.000 0.217 633 G C 1.526 176.436 174.900 0.017 0.000 1.150 633 G CA 0.934 46.047 45.100 0.021 0.000 0.776 633 G HN 0.484 nan 8.290 nan 0.000 0.542 634 Y N 1.007 121.188 120.300 -0.199 0.000 2.133 634 Y HA -0.143 4.403 4.550 -0.007 0.000 0.287 634 Y C 2.816 178.598 175.900 -0.197 0.000 1.134 634 Y CA 1.709 59.638 58.100 -0.286 0.000 1.133 634 Y CB -0.157 37.971 38.460 -0.553 0.000 0.987 634 Y HN 0.032 nan 8.280 nan 0.000 0.502 635 V N 0.019 119.783 119.914 -0.251 0.000 2.287 635 V HA -0.355 3.761 4.120 -0.007 0.000 0.248 635 V C 2.292 178.255 176.094 -0.217 0.000 1.053 635 V CA 2.448 64.599 62.300 -0.249 0.000 1.027 635 V CB -1.232 30.592 31.823 0.001 0.000 0.646 635 V HN 0.517 nan 8.190 nan 0.000 0.447 636 T N 0.032 114.516 114.554 -0.117 0.000 2.624 636 T HA -0.246 4.100 4.350 -0.007 0.000 0.268 636 T C 2.119 176.747 174.700 -0.120 0.000 1.041 636 T CA 2.179 64.224 62.100 -0.091 0.000 1.159 636 T CB -0.355 68.544 68.868 0.051 0.000 0.863 636 T HN 0.522 nan 8.240 nan 0.000 0.434 637 S N 0.834 116.496 115.700 -0.064 0.000 2.368 637 S HA -0.011 4.455 4.470 -0.007 0.000 0.225 637 S C 2.121 176.614 174.600 -0.179 0.000 1.030 637 S CA 0.931 59.120 58.200 -0.018 0.000 0.999 637 S CB -0.272 62.971 63.200 0.071 0.000 0.844 637 S HN 0.326 nan 8.310 nan 0.000 0.459 638 M N 0.838 120.244 119.600 -0.323 0.000 2.229 638 M HA 0.001 4.476 4.480 -0.007 0.000 0.264 638 M C 2.131 178.252 176.300 -0.297 0.000 1.063 638 M CA 0.990 56.079 55.300 -0.351 0.000 1.114 638 M CB -1.302 30.983 32.600 -0.525 0.000 1.387 638 M HN 0.179 nan 8.290 nan 0.000 0.420 639 V N 0.387 120.114 119.914 -0.311 0.000 2.379 639 V HA -0.196 3.920 4.120 -0.007 0.000 0.245 639 V C 2.465 178.348 176.094 -0.352 0.000 1.044 639 V CA 1.164 63.277 62.300 -0.312 0.000 1.036 639 V CB -0.556 31.007 31.823 -0.434 0.000 0.664 639 V HN 0.386 nan 8.190 nan 0.000 0.453 640 L N 0.474 121.421 121.223 -0.461 0.000 2.191 640 L HA -0.052 4.284 4.340 -0.007 0.000 0.212 640 L C 2.232 178.579 176.870 -0.871 0.000 1.103 640 L CA 1.542 56.020 54.840 -0.605 0.000 0.769 640 L CB -0.698 40.935 42.059 -0.710 0.000 0.908 640 L HN 0.493 nan 8.230 nan 0.000 0.438 641 G N -1.394 106.897 108.800 -0.847 0.000 3.088 641 G HA2 -0.059 3.897 3.960 -0.007 0.000 0.217 641 G HA3 -0.059 3.897 3.960 -0.007 0.000 0.217 641 G C 1.552 176.288 174.900 -0.274 0.000 1.159 641 G CA 0.573 45.297 45.100 -0.628 0.000 0.760 641 G HN 0.423 nan 8.290 nan 0.000 0.550 642 S N -0.315 115.246 115.700 -0.232 0.000 2.453 642 S HA 0.263 4.729 4.470 -0.007 0.000 0.231 642 S C 1.982 176.534 174.600 -0.080 0.000 1.005 642 S CA 1.127 59.253 58.200 -0.124 0.000 0.949 642 S CB -0.253 62.891 63.200 -0.094 0.000 0.774 642 S HN 1.405 nan 8.310 nan 0.000 0.510 643 G N 1.198 109.946 108.800 -0.086 0.000 2.147 643 G HA2 -0.334 3.622 3.960 -0.007 0.000 0.244 643 G HA3 -0.334 3.622 3.960 -0.007 0.000 0.244 643 G C 0.957 175.845 174.900 -0.019 0.000 1.005 643 G CA 1.034 46.106 45.100 -0.047 0.000 0.713 643 G HN 1.269 nan 8.290 nan 0.000 0.515 644 S N -0.714 114.987 115.700 0.000 0.000 2.383 644 S HA 0.277 4.742 4.470 -0.007 0.000 0.227 644 S C 2.602 177.208 174.600 0.010 0.000 1.026 644 S CA 1.903 60.116 58.200 0.022 0.000 0.981 644 S CB -0.304 62.944 63.200 0.080 0.000 0.818 644 S HN 2.446 nan 8.310 nan 0.000 0.472 645 G N -0.238 108.577 108.800 0.024 0.000 2.176 645 G HA2 -0.271 3.685 3.960 -0.007 0.000 0.253 645 G HA3 -0.271 3.685 3.960 -0.007 0.000 0.253 645 G C 0.766 175.653 174.900 -0.022 0.000 0.979 645 G CA 0.385 45.489 45.100 0.006 0.000 0.641 645 G HN 0.747 nan 8.290 nan 0.000 0.530 646 V N -0.403 119.482 119.914 -0.049 0.000 2.591 646 V HA 0.281 4.396 4.120 -0.007 0.000 0.249 646 V C 1.137 177.005 176.094 -0.376 0.000 1.053 646 V CA 1.352 63.490 62.300 -0.270 0.000 1.068 646 V CB -0.338 31.210 31.823 -0.458 0.000 0.689 646 V HN 0.302 nan 8.190 nan 0.000 0.462 647 F N 0.032 119.995 119.950 0.022 0.000 2.436 647 F HA 0.393 4.916 4.527 -0.007 0.000 0.340 647 F C 1.113 176.958 175.800 0.076 0.000 1.113 647 F CA -0.520 57.521 58.000 0.068 0.000 1.022 647 F CB 1.480 40.518 39.000 0.064 0.000 1.128 647 F HN -0.246 nan 8.300 nan 0.000 0.466 648 K N 1.887 122.450 120.400 0.273 0.000 2.076 648 K HA 0.068 4.384 4.320 -0.007 0.000 0.204 648 K C 0.027 176.768 176.600 0.235 0.000 1.051 648 K CA 1.051 57.466 56.287 0.215 0.000 0.949 648 K CB 0.241 32.871 32.500 0.217 0.000 0.726 648 K HN 0.800 nan 8.250 nan 0.000 0.443 649 c N -2.945 115.838 118.600 0.305 0.000 3.321 649 c HA 0.895 5.461 4.570 -0.007 0.000 0.329 649 c C -0.253 174.078 174.090 0.401 0.000 1.394 649 c CA -0.464 56.065 56.329 0.334 0.000 1.291 649 c CB 1.116 43.760 42.510 0.223 0.000 1.606 649 c HN 0.403 nan 8.230 nan 0.000 0.463 650 G N -0.085 109.018 108.800 0.505 0.000 2.576 650 G HA2 0.687 4.643 3.960 -0.007 0.000 0.290 650 G HA3 0.687 4.643 3.960 -0.007 0.000 0.290 650 G C -2.095 173.037 174.900 0.388 0.000 1.442 650 G CA -0.706 44.663 45.100 0.448 0.000 0.792 650 G HN 1.051 nan 8.290 nan 0.000 0.491 651 I N 0.657 121.424 120.570 0.329 0.000 2.466 651 I HA 0.614 4.779 4.170 -0.007 0.000 0.289 651 I C 0.154 176.400 176.117 0.215 0.000 1.026 651 I CA -0.965 60.409 61.300 0.124 0.000 1.078 651 I CB 2.200 40.243 38.000 0.071 0.000 1.249 651 I HN 0.666 nan 8.210 nan 0.000 0.429 652 A N 6.583 129.430 122.820 0.046 0.000 2.273 652 A HA 0.759 5.075 4.320 -0.007 0.000 0.315 652 A C -0.699 176.805 177.584 -0.133 0.000 1.256 652 A CA -0.504 51.562 52.037 0.048 0.000 0.851 652 A CB 1.037 20.136 19.000 0.164 0.000 1.172 652 A HN 0.446 nan 8.150 nan 0.000 0.508 653 V N 2.221 122.000 119.914 -0.224 0.000 2.370 653 V HA 0.555 4.671 4.120 -0.007 0.000 0.283 653 V C 0.974 176.652 176.094 -0.692 0.000 1.023 653 V CA 0.302 62.236 62.300 -0.610 0.000 0.857 653 V CB 0.701 31.845 31.823 -1.131 0.000 0.985 653 V HN 2.050 nan 8.190 nan 0.000 0.443 654 A N 5.778 128.176 122.820 -0.705 0.000 2.415 654 A HA -0.106 4.209 4.320 -0.007 0.000 0.292 654 A C -1.755 175.677 177.584 -0.253 0.000 1.452 654 A CA 0.355 51.903 52.037 -0.815 0.000 0.750 654 A CB -1.527 17.090 19.000 -0.639 0.000 1.099 654 A HN 0.625 nan 8.150 nan 0.000 0.391 655 P HA 0.395 nan 4.420 nan 0.000 0.278 655 P C 0.259 177.521 177.300 -0.063 0.000 1.238 655 P CA -0.171 62.902 63.100 -0.046 0.000 0.794 655 P CB 1.250 32.948 31.700 -0.003 0.000 0.955 656 V N 2.657 122.428 119.914 -0.238 0.000 2.655 656 V HA 0.010 4.126 4.120 -0.007 0.000 0.300 656 V C 1.831 177.729 176.094 -0.326 0.000 1.044 656 V CA 1.180 63.194 62.300 -0.477 0.000 1.095 656 V CB 0.514 31.637 31.823 -1.167 0.000 0.952 656 V HN 0.832 nan 8.190 nan 0.000 0.485 657 S N 3.865 119.413 115.700 -0.254 0.000 2.539 657 S HA 0.285 4.751 4.470 -0.007 0.000 0.226 657 S C 0.585 175.032 174.600 -0.255 0.000 1.054 657 S CA -0.330 57.792 58.200 -0.130 0.000 0.910 657 S CB 0.345 63.532 63.200 -0.022 0.000 0.818 657 S HN 0.711 nan 8.310 nan 0.000 0.490 658 R N -0.918 119.301 120.500 -0.468 0.000 2.522 658 R HA 0.332 4.668 4.340 -0.007 0.000 0.273 658 R C -1.055 174.912 176.300 -0.554 0.000 1.133 658 R CA -0.653 55.112 56.100 -0.558 0.000 0.969 658 R CB 0.390 30.218 30.300 -0.786 0.000 1.235 658 R HN 0.242 nan 8.270 nan 0.000 0.433 659 W N 2.002 123.192 121.300 -0.185 0.000 2.374 659 W HA -0.082 4.574 4.660 -0.007 0.000 0.288 659 W C 1.342 177.974 176.519 0.187 0.000 1.218 659 W CA 0.768 58.097 57.345 -0.026 0.000 1.245 659 W CB 0.317 29.684 29.460 -0.155 0.000 1.126 659 W HN 0.721 nan 8.180 nan 0.000 0.545 660 E N -0.868 119.511 120.200 0.299 0.000 2.267 660 E HA -0.221 4.125 4.350 -0.007 0.000 0.197 660 E C 1.423 178.173 176.600 0.249 0.000 0.998 660 E CA 1.173 57.689 56.400 0.192 0.000 0.830 660 E CB -0.473 29.233 29.700 0.010 0.000 0.751 660 E HN 0.372 nan 8.360 nan 0.000 0.491 661 Y N -1.487 118.909 120.300 0.160 0.000 2.519 661 Y HA 0.066 4.612 4.550 -0.007 0.000 0.287 661 Y C 0.695 176.695 175.900 0.167 0.000 1.128 661 Y CA -0.337 57.826 58.100 0.104 0.000 1.282 661 Y CB -0.542 37.922 38.460 0.007 0.000 1.027 661 Y HN 0.030 nan 8.280 nan 0.000 0.551 662 Y N 1.962 122.419 120.300 0.263 0.000 2.374 662 Y HA 0.270 4.815 4.550 -0.007 0.000 0.322 662 Y C 0.404 176.529 175.900 0.375 0.000 1.275 662 Y CA -2.085 56.180 58.100 0.274 0.000 1.307 662 Y CB 0.348 39.000 38.460 0.321 0.000 1.282 662 Y HN 0.195 nan 8.280 nan 0.000 0.509 663 D N -0.458 119.679 120.400 -0.438 0.000 2.378 663 D HA 0.043 4.678 4.640 -0.007 0.000 0.238 663 D C 0.870 177.161 176.300 -0.015 0.000 1.180 663 D CA 0.465 54.270 54.000 -0.325 0.000 0.895 663 D CB 0.775 41.161 40.800 -0.689 0.000 1.192 663 D HN 0.468 nan 8.370 nan 0.000 0.438 664 S N 0.792 116.488 115.700 -0.006 0.000 2.383 664 S HA -0.162 4.304 4.470 -0.007 0.000 0.227 664 S C 1.862 176.492 174.600 0.051 0.000 1.026 664 S CA 0.832 59.081 58.200 0.081 0.000 0.981 664 S CB -0.718 62.535 63.200 0.088 0.000 0.818 664 S HN 0.421 nan 8.310 nan 0.000 0.472 665 V N 0.718 120.602 119.914 -0.051 0.000 2.307 665 V HA -0.129 3.987 4.120 -0.007 0.000 0.245 665 V C 2.237 178.243 176.094 -0.147 0.000 1.045 665 V CA 1.990 64.164 62.300 -0.209 0.000 1.024 665 V CB -0.985 30.566 31.823 -0.453 0.000 0.651 665 V HN 0.566 nan 8.190 nan 0.000 0.449 666 Y N 1.392 121.638 120.300 -0.090 0.000 2.092 666 Y HA -0.252 4.294 4.550 -0.007 0.000 0.282 666 Y C 2.782 178.657 175.900 -0.042 0.000 1.126 666 Y CA 2.476 60.596 58.100 0.033 0.000 1.111 666 Y CB -0.586 38.111 38.460 0.396 0.000 0.987 666 Y HN 0.198 nan 8.280 nan 0.000 0.489 667 T N 0.411 115.203 114.554 0.396 0.000 2.684 667 T HA -0.216 4.130 4.350 -0.007 0.000 0.267 667 T C 1.542 176.202 174.700 -0.067 0.000 1.036 667 T CA 2.016 64.259 62.100 0.239 0.000 1.148 667 T CB -0.333 68.836 68.868 0.501 0.000 0.863 667 T HN 0.456 nan 8.240 nan 0.000 0.436 668 E N 0.442 120.632 120.200 -0.017 0.000 2.208 668 E HA -0.046 4.300 4.350 -0.007 0.000 0.193 668 E C 2.350 178.812 176.600 -0.229 0.000 0.988 668 E CA 0.297 56.679 56.400 -0.030 0.000 0.828 668 E CB -0.104 29.632 29.700 0.060 0.000 0.763 668 E HN 0.326 nan 8.360 nan 0.000 0.478 669 R N 0.207 120.404 120.500 -0.504 0.000 2.127 669 R HA -0.192 4.144 4.340 -0.007 0.000 0.238 669 R C 1.102 176.801 176.300 -1.001 0.000 1.134 669 R CA 1.558 57.156 56.100 -0.837 0.000 0.975 669 R CB 0.042 29.537 30.300 -1.342 0.000 0.865 669 R HN 0.259 nan 8.270 nan 0.000 0.447 670 Y N -2.371 117.596 120.300 -0.555 0.000 2.535 670 Y HA 0.223 4.768 4.550 -0.007 0.000 0.266 670 Y C 1.741 177.433 175.900 -0.347 0.000 1.088 670 Y CA -0.053 57.704 58.100 -0.572 0.000 1.285 670 Y CB 0.367 38.370 38.460 -0.761 0.000 1.166 670 Y HN -0.073 nan 8.280 nan 0.000 0.525 671 M N -0.295 119.171 119.600 -0.223 0.000 2.337 671 M HA 0.357 4.833 4.480 -0.007 0.000 0.256 671 M C 1.145 177.450 176.300 0.008 0.000 1.075 671 M CA 0.783 55.952 55.300 -0.218 0.000 1.024 671 M CB -0.437 31.829 32.600 -0.557 0.000 1.429 671 M HN 0.360 nan 8.290 nan 0.000 0.497 672 G N 1.872 110.692 108.800 0.033 0.000 2.601 672 G HA2 -0.228 3.728 3.960 -0.007 0.000 0.261 672 G HA3 -0.228 3.728 3.960 -0.007 0.000 0.261 672 G C -0.648 174.387 174.900 0.225 0.000 1.289 672 G CA -0.730 44.433 45.100 0.106 0.000 0.920 672 G HN 0.254 nan 8.290 nan 0.000 0.571 673 L N 2.594 123.917 121.223 0.167 0.000 2.312 673 L HA 0.490 4.826 4.340 -0.007 0.000 0.281 673 L C -1.268 175.591 176.870 -0.017 0.000 1.070 673 L CA -2.017 52.874 54.840 0.085 0.000 0.805 673 L CB 1.129 43.204 42.059 0.027 0.000 1.174 673 L HN 0.416 nan 8.230 nan 0.000 0.434 674 P HA 0.071 nan 4.420 nan 0.000 0.228 674 P C -0.497 176.641 177.300 -0.269 0.000 1.748 674 P CA -0.090 62.568 63.100 -0.737 0.000 0.909 674 P CB -0.536 30.489 31.700 -1.126 0.000 1.882 675 T N -3.631 110.857 114.554 -0.111 0.000 2.924 675 T HA 0.480 4.826 4.350 -0.007 0.000 0.291 675 T C -2.255 172.441 174.700 -0.008 0.000 1.045 675 T CA -2.511 59.559 62.100 -0.051 0.000 1.015 675 T CB 1.856 70.706 68.868 -0.031 0.000 1.103 675 T HN -0.307 nan 8.240 nan 0.000 0.496 676 P HA -0.107 nan 4.420 nan 0.000 0.218 676 P C 1.171 178.483 177.300 0.020 0.000 1.146 676 P CA 0.936 64.044 63.100 0.014 0.000 0.813 676 P CB 0.098 31.802 31.700 0.008 0.000 0.778 677 E N -1.843 118.366 120.200 0.015 0.000 2.479 677 E HA 0.019 4.365 4.350 -0.007 0.000 0.193 677 E C 0.679 177.294 176.600 0.026 0.000 1.049 677 E CA 0.402 56.813 56.400 0.017 0.000 0.870 677 E CB -0.088 29.617 29.700 0.009 0.000 0.944 677 E HN 0.241 nan 8.360 nan 0.000 0.492 678 D N 0.996 121.419 120.400 0.038 0.000 3.041 678 D HA 0.037 4.673 4.640 -0.007 0.000 0.201 678 D C 0.156 176.512 176.300 0.093 0.000 1.432 678 D CA -0.012 54.022 54.000 0.058 0.000 1.469 678 D CB 0.014 40.850 40.800 0.059 0.000 1.051 678 D HN 0.036 nan 8.370 nan 0.000 0.203 679 N N 0.104 118.894 118.700 0.150 0.000 2.305 679 N HA 0.112 4.847 4.740 -0.007 0.000 0.248 679 N C 0.961 176.679 175.510 0.347 0.000 1.290 679 N CA -0.067 53.126 53.050 0.238 0.000 0.873 679 N CB 0.320 38.974 38.487 0.279 0.000 1.261 679 N HN 0.102 nan 8.380 nan 0.000 0.504 680 L N 0.458 121.795 121.223 0.189 0.000 2.042 680 L HA -0.111 4.225 4.340 -0.007 0.000 0.210 680 L C 1.203 178.184 176.870 0.185 0.000 1.076 680 L CA 2.001 56.923 54.840 0.138 0.000 0.749 680 L CB -0.337 41.737 42.059 0.025 0.000 0.893 680 L HN 0.126 nan 8.230 nan 0.000 0.432 681 D N -1.458 119.032 120.400 0.149 0.000 2.104 681 D HA -0.261 4.375 4.640 -0.007 0.000 0.194 681 D C 2.085 178.477 176.300 0.154 0.000 0.994 681 D CA 1.830 55.906 54.000 0.126 0.000 0.830 681 D CB -0.224 40.640 40.800 0.106 0.000 0.959 681 D HN 0.579 nan 8.370 nan 0.000 0.452 682 H N -0.891 118.244 119.070 0.108 0.000 2.395 682 H HA -0.064 4.488 4.556 -0.007 0.000 0.299 682 H C 1.711 177.098 175.328 0.098 0.000 1.070 682 H CA 1.227 57.316 56.048 0.068 0.000 1.356 682 H CB -0.340 29.428 29.762 0.010 0.000 1.401 682 H HN 0.143 nan 8.280 nan 0.000 0.524 683 Y N 0.219 120.526 120.300 0.011 0.000 2.193 683 Y HA -0.225 4.321 4.550 -0.007 0.000 0.285 683 Y C 2.386 178.257 175.900 -0.049 0.000 1.166 683 Y CA 1.522 59.627 58.100 0.008 0.000 1.181 683 Y CB 0.104 38.593 38.460 0.049 0.000 0.976 683 Y HN 0.145 nan 8.280 nan 0.000 0.520 684 R N -0.349 120.219 120.500 0.114 0.000 2.127 684 R HA -0.035 4.301 4.340 -0.007 0.000 0.217 684 R C 1.617 177.905 176.300 -0.020 0.000 1.074 684 R CA 0.665 56.787 56.100 0.037 0.000 0.991 684 R CB -0.696 29.630 30.300 0.042 0.000 0.895 684 R HN 0.493 nan 8.270 nan 0.000 0.450 685 N N 0.704 119.366 118.700 -0.065 0.000 2.409 685 N HA -0.070 4.666 4.740 -0.007 0.000 0.179 685 N C 0.675 176.100 175.510 -0.141 0.000 1.032 685 N CA 1.117 54.114 53.050 -0.089 0.000 0.898 685 N CB 0.225 38.681 38.487 -0.053 0.000 0.971 685 N HN 0.138 nan 8.380 nan 0.000 0.441 686 S N -0.061 115.508 115.700 -0.219 0.000 2.582 686 S HA 0.036 4.502 4.470 -0.007 0.000 0.234 686 S C 0.698 175.334 174.600 0.061 0.000 0.961 686 S CA -0.671 57.471 58.200 -0.095 0.000 0.953 686 S CB -0.227 62.885 63.200 -0.147 0.000 0.800 686 S HN 0.163 nan 8.310 nan 0.000 0.471 687 T N -0.880 113.665 114.554 -0.015 0.000 2.868 687 T HA 0.409 4.755 4.350 -0.007 0.000 0.292 687 T C 1.381 176.072 174.700 -0.013 0.000 1.028 687 T CA -0.146 61.935 62.100 -0.033 0.000 1.059 687 T CB 1.436 70.258 68.868 -0.077 0.000 0.991 687 T HN 0.465 nan 8.240 nan 0.000 0.531 688 V N 1.221 121.123 119.914 -0.020 0.000 2.788 688 V HA 0.026 4.142 4.120 -0.007 0.000 0.251 688 V C 2.209 178.272 176.094 -0.051 0.000 1.068 688 V CA 1.001 63.281 62.300 -0.034 0.000 1.090 688 V CB -1.100 30.700 31.823 -0.038 0.000 0.710 688 V HN 0.816 nan 8.190 nan 0.000 0.467 689 M N 2.602 122.156 119.600 -0.076 0.000 2.106 689 M HA -0.156 4.320 4.480 -0.007 0.000 0.259 689 M C 2.494 178.763 176.300 -0.052 0.000 1.068 689 M CA 2.581 57.830 55.300 -0.086 0.000 1.100 689 M CB -1.059 31.503 32.600 -0.063 0.000 1.351 689 M HN 0.744 nan 8.290 nan 0.000 0.404 690 S N -0.379 115.301 115.700 -0.033 0.000 2.442 690 S HA -0.126 4.340 4.470 -0.007 0.000 0.236 690 S C 1.811 176.410 174.600 -0.002 0.000 1.007 690 S CA 0.950 59.140 58.200 -0.018 0.000 0.965 690 S CB -0.525 62.664 63.200 -0.018 0.000 0.773 690 S HN 0.535 nan 8.310 nan 0.000 0.504 691 R N 0.484 120.994 120.500 0.016 0.000 2.359 691 R HA 0.460 4.796 4.340 -0.007 0.000 0.231 691 R C 2.189 178.577 176.300 0.147 0.000 0.913 691 R CA 0.409 56.542 56.100 0.056 0.000 1.075 691 R CB -0.243 30.083 30.300 0.043 0.000 1.087 691 R HN 0.484 nan 8.270 nan 0.000 0.515 692 A N 1.613 124.474 122.820 0.069 0.000 1.903 692 A HA -0.302 4.014 4.320 -0.007 0.000 0.219 692 A C 2.036 179.690 177.584 0.116 0.000 1.191 692 A CA 2.018 54.070 52.037 0.025 0.000 0.638 692 A CB -0.352 18.596 19.000 -0.088 0.000 0.823 692 A HN 0.303 nan 8.150 nan 0.000 0.451 693 E N 0.811 121.054 120.200 0.071 0.000 2.147 693 E HA -0.212 4.134 4.350 -0.007 0.000 0.199 693 E C 1.622 178.273 176.600 0.086 0.000 1.005 693 E CA 1.924 58.364 56.400 0.066 0.000 0.810 693 E CB -0.359 29.364 29.700 0.038 0.000 0.736 693 E HN 0.664 nan 8.360 nan 0.000 0.460 694 N N -0.665 118.084 118.700 0.082 0.000 2.512 694 N HA -0.090 4.646 4.740 -0.007 0.000 0.183 694 N C 0.898 176.390 175.510 -0.030 0.000 1.073 694 N CA 0.495 53.549 53.050 0.007 0.000 0.911 694 N CB -0.162 38.286 38.487 -0.066 0.000 0.964 694 N HN 0.234 nan 8.380 nan 0.000 0.447 695 F N 1.723 121.622 119.950 -0.086 0.000 2.641 695 F HA 0.030 4.553 4.527 -0.007 0.000 0.298 695 F C 1.960 177.761 175.800 0.003 0.000 1.146 695 F CA 0.643 58.588 58.000 -0.091 0.000 1.464 695 F CB -0.007 38.883 39.000 -0.185 0.000 1.101 695 F HN -0.093 nan 8.300 nan 0.000 0.585 696 K N -0.070 120.427 120.400 0.161 0.000 2.442 696 K HA -0.167 4.149 4.320 -0.007 0.000 0.198 696 K C 1.371 178.027 176.600 0.092 0.000 1.044 696 K CA 0.906 57.268 56.287 0.125 0.000 0.948 696 K CB -0.190 32.365 32.500 0.091 0.000 0.762 696 K HN 0.446 nan 8.250 nan 0.000 0.472 697 Q N 0.157 119.989 119.800 0.054 0.000 2.282 697 Q HA 0.058 4.394 4.340 -0.007 0.000 0.206 697 Q C 0.128 176.157 176.000 0.048 0.000 0.878 697 Q CA -0.086 55.736 55.803 0.033 0.000 0.944 697 Q CB 0.958 29.692 28.738 -0.006 0.000 1.100 697 Q HN 0.122 nan 8.270 nan 0.000 0.509 698 V N -3.249 116.710 119.914 0.075 0.000 3.181 698 V HA 0.513 4.629 4.120 -0.007 0.000 0.308 698 V C -1.493 174.737 176.094 0.227 0.000 1.214 698 V CA -1.323 61.051 62.300 0.123 0.000 1.053 698 V CB 2.328 34.183 31.823 0.054 0.000 1.069 698 V HN -0.045 nan 8.190 nan 0.000 0.441 699 E N 1.250 121.622 120.200 0.287 0.000 2.134 699 E HA 0.530 4.876 4.350 -0.007 0.000 0.278 699 E C -1.844 175.140 176.600 0.639 0.000 0.959 699 E CA -0.344 56.300 56.400 0.406 0.000 0.783 699 E CB 1.803 31.670 29.700 0.279 0.000 1.095 699 E HN 0.676 nan 8.360 nan 0.000 0.399 700 Y N 3.309 123.883 120.300 0.456 0.000 2.376 700 Y HA 0.488 5.034 4.550 -0.007 0.000 0.340 700 Y C -1.710 174.272 175.900 0.135 0.000 0.965 700 Y CA -1.586 56.719 58.100 0.341 0.000 1.078 700 Y CB 1.065 39.771 38.460 0.410 0.000 1.193 700 Y HN 0.448 nan 8.280 nan 0.000 0.452 701 L N 7.823 128.713 121.223 -0.556 0.000 2.319 701 L HA 0.583 4.919 4.340 -0.007 0.000 0.281 701 L C -2.140 174.266 176.870 -0.772 0.000 1.005 701 L CA -0.718 53.658 54.840 -0.773 0.000 0.828 701 L CB 1.207 42.459 42.059 -1.345 0.000 1.227 701 L HN 0.648 nan 8.230 nan 0.000 0.415 702 L N 6.656 127.509 121.223 -0.616 0.000 2.296 702 L HA 0.684 5.019 4.340 -0.007 0.000 0.286 702 L C -1.064 175.682 176.870 -0.205 0.000 1.023 702 L CA 0.016 54.572 54.840 -0.473 0.000 0.812 702 L CB 1.075 42.906 42.059 -0.380 0.000 1.223 702 L HN 0.577 nan 8.230 nan 0.000 0.421 703 I N 4.618 125.081 120.570 -0.179 0.000 2.582 703 I HA 0.443 4.609 4.170 -0.007 0.000 0.292 703 I C -1.201 174.891 176.117 -0.040 0.000 1.066 703 I CA -0.719 60.523 61.300 -0.096 0.000 1.053 703 I CB 2.009 39.908 38.000 -0.168 0.000 1.241 703 I HN 0.682 nan 8.210 nan 0.000 0.421 704 H N 2.323 121.435 119.070 0.069 0.000 3.086 704 H HA 0.473 5.025 4.556 -0.007 0.000 0.353 704 H C -0.343 175.203 175.328 0.363 0.000 1.134 704 H CA -0.543 55.592 56.048 0.144 0.000 1.248 704 H CB 2.037 31.835 29.762 0.060 0.000 1.878 704 H HN 0.748 nan 8.280 nan 0.000 0.527 705 G N 0.824 109.948 108.800 0.541 0.000 2.415 705 G HA2 0.237 4.193 3.960 -0.007 0.000 0.269 705 G HA3 0.237 4.193 3.960 -0.007 0.000 0.269 705 G C 1.110 176.302 174.900 0.487 0.000 1.209 705 G CA 0.144 45.532 45.100 0.479 0.000 0.835 705 G HN 0.737 nan 8.290 nan 0.000 0.534 706 T N -0.878 113.819 114.554 0.239 0.000 3.023 706 T HA 0.137 4.483 4.350 -0.007 0.000 0.266 706 T C 1.730 176.390 174.700 -0.067 0.000 1.093 706 T CA 1.196 63.252 62.100 -0.073 0.000 1.129 706 T CB 0.198 68.931 68.868 -0.225 0.000 0.899 706 T HN 0.664 nan 8.240 nan 0.000 0.491 707 A N 1.137 123.987 122.820 0.052 0.000 2.577 707 A HA 0.312 4.628 4.320 -0.007 0.000 0.280 707 A C 0.440 177.991 177.584 -0.055 0.000 1.331 707 A CA -0.468 51.582 52.037 0.021 0.000 0.935 707 A CB -0.364 18.897 19.000 0.436 0.000 1.082 707 A HN 0.380 nan 8.150 nan 0.000 0.525 708 D N 1.504 121.886 120.400 -0.031 0.000 2.344 708 D HA 0.001 4.637 4.640 -0.007 0.000 0.253 708 D C 0.451 176.740 176.300 -0.018 0.000 1.255 708 D CA 0.059 54.149 54.000 0.151 0.000 0.894 708 D CB 0.636 41.678 40.800 0.403 0.000 1.067 708 D HN 0.558 nan 8.370 nan 0.000 0.492 709 D N 2.158 122.605 120.400 0.079 0.000 2.323 709 D HA -0.114 4.522 4.640 -0.007 0.000 0.209 709 D C 1.023 177.337 176.300 0.022 0.000 0.973 709 D CA 0.181 54.193 54.000 0.019 0.000 0.874 709 D CB 0.268 40.996 40.800 -0.120 0.000 0.930 709 D HN 0.437 nan 8.370 nan 0.000 0.521 710 N N 0.087 118.886 118.700 0.164 0.000 2.335 710 N HA -0.027 4.709 4.740 -0.007 0.000 0.197 710 N C -0.177 175.288 175.510 -0.076 0.000 1.045 710 N CA 0.199 53.383 53.050 0.223 0.000 0.928 710 N CB 0.680 39.305 38.487 0.230 0.000 1.118 710 N HN -0.176 nan 8.380 nan 0.000 0.471 711 V N 2.338 122.239 119.914 -0.022 0.000 2.334 711 V HA 0.186 4.302 4.120 -0.007 0.000 0.267 711 V C -0.815 175.352 176.094 0.122 0.000 1.040 711 V CA -0.297 62.026 62.300 0.038 0.000 0.866 711 V CB 0.053 31.945 31.823 0.114 0.000 1.019 711 V HN 0.343 nan 8.190 nan 0.000 0.468 712 H N 3.371 122.435 119.070 -0.010 0.000 2.871 712 H HA 0.009 4.561 4.556 -0.007 0.000 0.355 712 H C 0.794 175.988 175.328 -0.223 0.000 1.092 712 H CA -0.057 55.902 56.048 -0.149 0.000 1.420 712 H CB 0.772 30.355 29.762 -0.297 0.000 1.400 712 H HN 0.659 nan 8.280 nan 0.000 0.604 713 F N 1.997 121.747 119.950 -0.334 0.000 2.236 713 F HA -0.297 4.226 4.527 -0.007 0.000 0.302 713 F C 2.555 178.052 175.800 -0.505 0.000 1.073 713 F CA 1.657 59.227 58.000 -0.716 0.000 1.336 713 F CB -0.156 38.623 39.000 -0.368 0.000 1.040 713 F HN 0.675 nan 8.300 nan 0.000 0.507 714 Q N 0.386 120.052 119.800 -0.224 0.000 2.082 714 Q HA -0.348 3.988 4.340 -0.007 0.000 0.211 714 Q C 2.105 177.856 176.000 -0.414 0.000 1.002 714 Q CA 2.599 58.218 55.803 -0.307 0.000 0.868 714 Q CB -0.477 28.056 28.738 -0.342 0.000 0.931 714 Q HN 0.608 nan 8.270 nan 0.000 0.414 715 Q N -0.246 119.352 119.800 -0.337 0.000 2.077 715 Q HA -0.156 4.180 4.340 -0.007 0.000 0.206 715 Q C 2.305 178.200 176.000 -0.175 0.000 0.989 715 Q CA 1.870 57.594 55.803 -0.132 0.000 0.853 715 Q CB -0.157 28.595 28.738 0.022 0.000 0.907 715 Q HN 0.372 nan 8.270 nan 0.000 0.418 716 S N 0.664 116.155 115.700 -0.348 0.000 2.406 716 S HA -0.019 4.447 4.470 -0.007 0.000 0.228 716 S C 2.077 176.421 174.600 -0.426 0.000 1.020 716 S CA 0.718 58.712 58.200 -0.342 0.000 0.965 716 S CB -0.139 62.855 63.200 -0.343 0.000 0.798 716 S HN 0.481 nan 8.310 nan 0.000 0.488 717 A N 1.571 124.025 122.820 -0.609 0.000 1.940 717 A HA -0.160 4.156 4.320 -0.007 0.000 0.219 717 A C 2.140 179.613 177.584 -0.185 0.000 1.176 717 A CA 1.238 53.059 52.037 -0.360 0.000 0.631 717 A CB -0.450 18.405 19.000 -0.243 0.000 0.814 717 A HN 0.364 nan 8.150 nan 0.000 0.446 718 Q N -0.463 119.233 119.800 -0.173 0.000 2.172 718 Q HA -0.010 4.326 4.340 -0.007 0.000 0.200 718 Q C 2.134 178.077 176.000 -0.096 0.000 0.964 718 Q CA 1.064 56.821 55.803 -0.077 0.000 0.855 718 Q CB -0.347 28.415 28.738 0.040 0.000 0.918 718 Q HN 0.794 nan 8.270 nan 0.000 0.444 719 I N 1.124 121.608 120.570 -0.142 0.000 2.179 719 I HA -0.270 3.896 4.170 -0.007 0.000 0.242 719 I C 2.522 178.464 176.117 -0.292 0.000 1.088 719 I CA 1.472 62.641 61.300 -0.218 0.000 1.357 719 I CB -0.462 37.410 38.000 -0.213 0.000 1.051 719 I HN 0.173 nan 8.210 nan 0.000 0.409 720 S N 0.875 116.444 115.700 -0.217 0.000 2.382 720 S HA -0.256 4.210 4.470 -0.007 0.000 0.228 720 S C 2.031 176.613 174.600 -0.030 0.000 1.027 720 S CA 1.314 59.437 58.200 -0.129 0.000 0.991 720 S CB -0.419 62.867 63.200 0.144 0.000 0.823 720 S HN 0.385 nan 8.310 nan 0.000 0.469 721 K N 1.678 122.056 120.400 -0.037 0.000 2.097 721 K HA 0.079 4.395 4.320 -0.007 0.000 0.205 721 K C 2.253 178.830 176.600 -0.039 0.000 1.050 721 K CA 1.067 57.346 56.287 -0.012 0.000 0.938 721 K CB -0.617 31.873 32.500 -0.016 0.000 0.718 721 K HN 0.444 nan 8.250 nan 0.000 0.442 722 A N 0.929 123.693 122.820 -0.093 0.000 1.969 722 A HA -0.065 4.251 4.320 -0.007 0.000 0.218 722 A C 2.023 179.536 177.584 -0.119 0.000 1.169 722 A CA 1.054 53.032 52.037 -0.100 0.000 0.635 722 A CB -0.433 18.492 19.000 -0.125 0.000 0.810 722 A HN 0.302 nan 8.150 nan 0.000 0.445 723 L N -0.845 120.259 121.223 -0.199 0.000 2.072 723 L HA -0.106 4.230 4.340 -0.007 0.000 0.205 723 L C 2.506 179.392 176.870 0.026 0.000 1.079 723 L CA 0.789 55.514 54.840 -0.192 0.000 0.752 723 L CB -0.598 41.133 42.059 -0.546 0.000 0.906 723 L HN 0.218 nan 8.230 nan 0.000 0.436 724 V N 0.054 120.027 119.914 0.099 0.000 2.287 724 V HA -0.318 3.798 4.120 -0.007 0.000 0.248 724 V C 2.079 178.213 176.094 0.067 0.000 1.053 724 V CA 2.013 64.393 62.300 0.133 0.000 1.027 724 V CB -0.528 31.371 31.823 0.127 0.000 0.646 724 V HN 0.433 nan 8.190 nan 0.000 0.447 725 D N 0.182 120.601 120.400 0.032 0.000 2.221 725 D HA -0.115 4.521 4.640 -0.007 0.000 0.204 725 D C 1.789 178.102 176.300 0.022 0.000 0.982 725 D CA 1.710 55.722 54.000 0.020 0.000 0.857 725 D CB -0.130 40.673 40.800 0.005 0.000 0.934 725 D HN 0.565 nan 8.370 nan 0.000 0.475 726 V N -3.917 116.010 119.914 0.021 0.000 3.621 726 V HA 0.491 4.607 4.120 -0.007 0.000 0.285 726 V C 1.282 177.405 176.094 0.049 0.000 1.346 726 V CA 0.335 62.652 62.300 0.029 0.000 1.104 726 V CB -0.043 31.793 31.823 0.021 0.000 0.913 726 V HN 0.149 nan 8.190 nan 0.000 0.432 727 G N 0.549 109.388 108.800 0.064 0.000 2.182 727 G HA2 -0.186 3.770 3.960 -0.007 0.000 0.248 727 G HA3 -0.186 3.770 3.960 -0.007 0.000 0.248 727 G C -0.078 174.888 174.900 0.111 0.000 1.042 727 G CA 0.112 45.260 45.100 0.080 0.000 0.775 727 G HN 0.839 nan 8.290 nan 0.000 0.501 728 V N 0.522 120.522 119.914 0.144 0.000 2.432 728 V HA 0.441 4.557 4.120 -0.007 0.000 0.275 728 V C 0.570 176.863 176.094 0.331 0.000 1.043 728 V CA -0.527 61.895 62.300 0.203 0.000 0.925 728 V CB 1.634 33.563 31.823 0.176 0.000 0.985 728 V HN 0.412 nan 8.190 nan 0.000 0.466 729 D N 3.968 124.533 120.400 0.275 0.000 2.304 729 D HA 0.601 5.237 4.640 -0.007 0.000 0.247 729 D C -0.503 176.057 176.300 0.434 0.000 1.089 729 D CA 0.267 54.424 54.000 0.261 0.000 0.910 729 D CB 0.722 41.601 40.800 0.131 0.000 1.199 729 D HN 0.409 nan 8.370 nan 0.000 0.426 730 F N -0.646 119.385 119.950 0.135 0.000 2.858 730 F HA 0.411 4.934 4.527 -0.007 0.000 0.319 730 F C -1.562 174.292 175.800 0.090 0.000 1.166 730 F CA -1.168 56.932 58.000 0.167 0.000 0.899 730 F CB 0.737 39.872 39.000 0.226 0.000 1.332 730 F HN 0.105 nan 8.300 nan 0.000 0.461 731 Q N 1.404 121.266 119.800 0.104 0.000 2.257 731 Q HA 0.837 5.173 4.340 -0.007 0.000 0.262 731 Q C -0.990 174.979 176.000 -0.051 0.000 0.997 731 Q CA -0.996 54.768 55.803 -0.064 0.000 0.873 731 Q CB 2.288 31.025 28.738 -0.001 0.000 1.312 731 Q HN 1.037 nan 8.270 nan 0.000 0.450 732 A N 1.392 124.155 122.820 -0.096 0.000 2.572 732 A HA 0.802 5.118 4.320 -0.007 0.000 0.295 732 A C -1.441 176.075 177.584 -0.113 0.000 1.072 732 A CA -0.564 51.452 52.037 -0.034 0.000 0.691 732 A CB 2.012 21.051 19.000 0.065 0.000 1.291 732 A HN 0.604 nan 8.150 nan 0.000 0.404 733 M N 1.706 121.231 119.600 -0.126 0.000 2.255 733 M HA 0.562 5.038 4.480 -0.007 0.000 0.275 733 M C -1.888 174.309 176.300 -0.171 0.000 1.050 733 M CA -0.726 54.359 55.300 -0.357 0.000 0.978 733 M CB 1.083 33.368 32.600 -0.524 0.000 1.761 733 M HN 0.918 nan 8.290 nan 0.000 0.479 734 W N 4.548 125.720 121.300 -0.214 0.000 2.449 734 W HA 0.754 5.409 4.660 -0.007 0.000 0.331 734 W C -1.950 174.347 176.519 -0.369 0.000 1.119 734 W CA -0.761 56.539 57.345 -0.075 0.000 1.240 734 W CB 0.322 29.785 29.460 0.005 0.000 1.251 734 W HN 0.608 nan 8.180 nan 0.000 0.576 735 Y N 2.621 123.034 120.300 0.189 0.000 2.402 735 Y HA 0.298 4.844 4.550 -0.007 0.000 0.332 735 Y C 0.555 176.565 175.900 0.183 0.000 0.960 735 Y CA -1.007 57.127 58.100 0.058 0.000 1.228 735 Y CB 1.366 39.839 38.460 0.022 0.000 1.120 735 Y HN 0.419 nan 8.280 nan 0.000 0.491 736 T N 4.793 119.514 114.554 0.279 0.000 2.829 736 T HA 0.004 4.350 4.350 -0.007 0.000 0.293 736 T C 0.126 174.894 174.700 0.113 0.000 0.970 736 T CA 0.593 62.814 62.100 0.202 0.000 1.168 736 T CB -0.109 68.823 68.868 0.106 0.000 0.911 736 T HN 0.727 nan 8.240 nan 0.000 0.535 737 D N 0.636 121.066 120.400 0.050 0.000 2.946 737 D HA -0.121 4.514 4.640 -0.007 0.000 0.202 737 D C 0.319 176.717 176.300 0.162 0.000 1.068 737 D CA 1.103 55.044 54.000 -0.099 0.000 1.011 737 D CB -0.450 40.081 40.800 -0.450 0.000 1.105 737 D HN 0.551 nan 8.370 nan 0.000 0.425 738 E N 1.078 121.405 120.200 0.211 0.000 2.349 738 E HA 0.319 4.665 4.350 -0.007 0.000 0.265 738 E C 0.783 177.557 176.600 0.289 0.000 1.064 738 E CA -0.094 56.456 56.400 0.250 0.000 0.886 738 E CB 1.042 30.881 29.700 0.231 0.000 1.036 738 E HN 0.388 nan 8.360 nan 0.000 0.413 739 D N -0.609 119.978 120.400 0.312 0.000 2.541 739 D HA 0.002 4.638 4.640 -0.007 0.000 0.276 739 D C 1.012 177.538 176.300 0.377 0.000 1.190 739 D CA -0.259 53.952 54.000 0.351 0.000 1.095 739 D CB -0.215 40.823 40.800 0.397 0.000 1.173 739 D HN 0.431 nan 8.370 nan 0.000 0.604 740 H N -1.684 117.575 119.070 0.315 0.000 2.518 740 H HA 0.118 4.669 4.556 -0.007 0.000 0.289 740 H C 1.812 177.418 175.328 0.464 0.000 1.051 740 H CA 1.993 58.252 56.048 0.353 0.000 1.280 740 H CB -0.285 29.677 29.762 0.333 0.000 1.380 740 H HN 0.480 nan 8.280 nan 0.000 0.566 741 G N -0.402 108.601 108.800 0.338 0.000 2.683 741 G HA2 0.024 3.980 3.960 -0.007 0.000 0.213 741 G HA3 0.024 3.980 3.960 -0.007 0.000 0.213 741 G C 0.649 175.758 174.900 0.349 0.000 1.142 741 G CA 0.231 45.468 45.100 0.228 0.000 0.793 741 G HN 0.503 nan 8.290 nan 0.000 0.534 742 I N 0.241 121.014 120.570 0.340 0.000 5.115 742 I HA -0.338 3.828 4.170 -0.007 0.000 0.126 742 I C 1.678 177.923 176.117 0.212 0.000 1.316 742 I CA 0.126 61.561 61.300 0.224 0.000 2.641 742 I CB -1.068 37.007 38.000 0.126 0.000 2.272 742 I HN 0.262 nan 8.210 nan 0.000 0.321 743 A N 0.489 123.417 122.820 0.181 0.000 2.267 743 A HA 0.235 4.550 4.320 -0.007 0.000 0.213 743 A C 1.216 178.860 177.584 0.099 0.000 1.192 743 A CA 0.216 52.330 52.037 0.130 0.000 0.851 743 A CB 0.198 19.253 19.000 0.093 0.000 0.881 743 A HN 0.439 nan 8.150 nan 0.000 0.494 744 S N 0.132 115.900 115.700 0.113 0.000 2.558 744 S HA 0.070 4.536 4.470 -0.007 0.000 0.287 744 S C 1.589 176.246 174.600 0.095 0.000 1.321 744 S CA 0.467 58.725 58.200 0.096 0.000 1.048 744 S CB 1.056 64.316 63.200 0.099 0.000 0.844 744 S HN 0.575 nan 8.310 nan 0.000 0.512 745 S N 2.141 117.882 115.700 0.068 0.000 2.359 745 S HA -0.180 4.286 4.470 -0.007 0.000 0.223 745 S C 2.295 176.953 174.600 0.096 0.000 1.039 745 S CA 2.238 60.476 58.200 0.064 0.000 1.042 745 S CB -0.803 62.418 63.200 0.034 0.000 0.915 745 S HN 0.963 nan 8.310 nan 0.000 0.439 746 T N -0.272 114.330 114.554 0.080 0.000 2.777 746 T HA 0.163 4.509 4.350 -0.007 0.000 0.266 746 T C 1.952 176.713 174.700 0.102 0.000 1.040 746 T CA 1.338 63.488 62.100 0.083 0.000 1.141 746 T CB -0.884 68.023 68.868 0.064 0.000 0.868 746 T HN 0.437 nan 8.240 nan 0.000 0.444 747 A N 1.433 124.297 122.820 0.074 0.000 1.898 747 A HA -0.060 4.256 4.320 -0.007 0.000 0.216 747 A C 2.194 179.750 177.584 -0.047 0.000 1.181 747 A CA 1.980 54.007 52.037 -0.017 0.000 0.620 747 A CB -1.296 17.657 19.000 -0.078 0.000 0.819 747 A HN 0.781 nan 8.150 nan 0.000 0.442 748 H N -0.042 119.020 119.070 -0.013 0.000 2.319 748 H HA -0.184 4.367 4.556 -0.007 0.000 0.297 748 H C 2.103 177.502 175.328 0.120 0.000 1.097 748 H CA 2.449 58.542 56.048 0.075 0.000 1.285 748 H CB -0.238 29.567 29.762 0.072 0.000 1.368 748 H HN 0.581 nan 8.280 nan 0.000 0.495 749 Q N -0.996 118.814 119.800 0.016 0.000 2.084 749 Q HA -0.202 4.134 4.340 -0.007 0.000 0.202 749 Q C 2.261 178.248 176.000 -0.020 0.000 0.978 749 Q CA 1.403 57.174 55.803 -0.052 0.000 0.844 749 Q CB -0.225 28.522 28.738 0.016 0.000 0.898 749 Q HN 0.653 nan 8.270 nan 0.000 0.426 750 H N 0.728 119.775 119.070 -0.039 0.000 2.357 750 H HA -0.068 4.484 4.556 -0.007 0.000 0.301 750 H C 2.045 177.381 175.328 0.014 0.000 1.082 750 H CA 1.322 57.384 56.048 0.024 0.000 1.342 750 H CB -0.011 29.824 29.762 0.122 0.000 1.389 750 H HN 0.286 nan 8.280 nan 0.000 0.511 751 I N 0.116 120.664 120.570 -0.038 0.000 2.252 751 I HA -0.317 3.849 4.170 -0.007 0.000 0.245 751 I C 1.756 177.638 176.117 -0.391 0.000 1.102 751 I CA 1.268 62.451 61.300 -0.194 0.000 1.385 751 I CB -0.275 37.414 38.000 -0.519 0.000 1.064 751 I HN 0.157 nan 8.210 nan 0.000 0.414 752 Y N 0.806 120.893 120.300 -0.354 0.000 2.314 752 Y HA -0.192 4.354 4.550 -0.007 0.000 0.293 752 Y C 2.672 178.372 175.900 -0.334 0.000 1.129 752 Y CA 1.785 59.574 58.100 -0.519 0.000 1.201 752 Y CB -0.598 37.569 38.460 -0.490 0.000 0.999 752 Y HN 0.154 nan 8.280 nan 0.000 0.541 753 T N -1.567 112.913 114.554 -0.124 0.000 2.674 753 T HA -0.252 4.094 4.350 -0.007 0.000 0.265 753 T C 1.532 176.120 174.700 -0.187 0.000 1.039 753 T CA 1.910 63.899 62.100 -0.186 0.000 1.150 753 T CB -0.547 68.207 68.868 -0.190 0.000 0.864 753 T HN 0.399 nan 8.240 nan 0.000 0.427 754 H N 0.723 119.655 119.070 -0.229 0.000 2.352 754 H HA 0.058 4.610 4.556 -0.007 0.000 0.299 754 H C 2.152 177.448 175.328 -0.053 0.000 1.097 754 H CA 1.609 57.589 56.048 -0.114 0.000 1.311 754 H CB -0.247 29.438 29.762 -0.130 0.000 1.377 754 H HN 0.268 nan 8.280 nan 0.000 0.504 755 M N -1.080 118.443 119.600 -0.128 0.000 2.200 755 M HA -0.133 4.342 4.480 -0.007 0.000 0.265 755 M C 2.404 178.804 176.300 0.167 0.000 1.066 755 M CA 1.263 56.474 55.300 -0.148 0.000 1.127 755 M CB 0.144 32.359 32.600 -0.642 0.000 1.379 755 M HN 0.196 nan 8.290 nan 0.000 0.420 756 S N -0.452 115.384 115.700 0.227 0.000 2.356 756 S HA -0.184 4.282 4.470 -0.007 0.000 0.223 756 S C 1.599 176.304 174.600 0.176 0.000 1.032 756 S CA 1.377 59.809 58.200 0.386 0.000 1.005 756 S CB -0.656 62.739 63.200 0.325 0.000 0.867 756 S HN 0.556 nan 8.310 nan 0.000 0.449 757 H N -0.726 118.400 119.070 0.093 0.000 2.387 757 H HA -0.080 4.472 4.556 -0.007 0.000 0.299 757 H C 1.939 177.261 175.328 -0.010 0.000 1.099 757 H CA 1.642 57.696 56.048 0.010 0.000 1.315 757 H CB -0.172 29.546 29.762 -0.074 0.000 1.380 757 H HN 0.388 nan 8.280 nan 0.000 0.513 758 F N 0.861 120.786 119.950 -0.042 0.000 2.113 758 F HA -0.193 4.330 4.527 -0.007 0.000 0.297 758 F C 2.008 177.760 175.800 -0.079 0.000 1.103 758 F CA 0.880 58.829 58.000 -0.085 0.000 1.248 758 F CB -0.143 38.781 39.000 -0.126 0.000 0.999 758 F HN 0.027 nan 8.300 nan 0.000 0.475 759 I N 0.923 121.516 120.570 0.038 0.000 2.179 759 I HA -0.293 3.873 4.170 -0.007 0.000 0.242 759 I C 2.276 178.188 176.117 -0.341 0.000 1.088 759 I CA 1.541 62.698 61.300 -0.238 0.000 1.357 759 I CB -1.403 36.557 38.000 -0.066 0.000 1.051 759 I HN 0.207 nan 8.210 nan 0.000 0.409 760 K N 0.185 120.538 120.400 -0.079 0.000 2.063 760 K HA -0.272 4.044 4.320 -0.007 0.000 0.208 760 K C 2.095 178.678 176.600 -0.028 0.000 1.048 760 K CA 1.760 58.053 56.287 0.011 0.000 0.928 760 K CB -0.215 32.349 32.500 0.106 0.000 0.713 760 K HN 0.278 nan 8.250 nan 0.000 0.442 761 Q N 0.814 120.552 119.800 -0.102 0.000 2.079 761 Q HA -0.177 4.159 4.340 -0.007 0.000 0.200 761 Q C 2.179 178.070 176.000 -0.183 0.000 0.974 761 Q CA 1.711 57.437 55.803 -0.129 0.000 0.840 761 Q CB -0.419 28.226 28.738 -0.154 0.000 0.898 761 Q HN 0.397 nan 8.270 nan 0.000 0.430 762 c N -0.367 118.009 118.600 -0.373 0.000 2.425 762 c HA -0.059 4.506 4.570 -0.007 0.000 0.277 762 c C 1.637 175.760 174.090 0.056 0.000 1.280 762 c CA 0.567 56.706 56.329 -0.315 0.000 1.744 762 c CB -1.172 40.976 42.510 -0.603 0.000 1.989 762 c HN 0.640 nan 8.230 nan 0.000 0.491 763 F N 1.392 121.303 119.950 -0.064 0.000 2.664 763 F HA 0.271 4.794 4.527 -0.007 0.000 0.303 763 F C 1.581 177.369 175.800 -0.021 0.000 1.092 763 F CA 0.207 58.193 58.000 -0.024 0.000 1.305 763 F CB -1.188 37.808 39.000 -0.006 0.000 1.054 763 F HN 0.185 nan 8.300 nan 0.000 0.565 764 S N 0.985 116.768 115.700 0.140 0.000 3.682 764 S HA -0.201 4.265 4.470 -0.007 0.000 0.354 764 S C 0.029 174.674 174.600 0.075 0.000 1.034 764 S CA 0.111 58.356 58.200 0.074 0.000 1.084 764 S CB -2.049 61.183 63.200 0.052 0.000 0.903 764 S HN 0.231 nan 8.310 nan 0.000 0.470 765 L N 2.001 123.280 121.223 0.094 0.000 2.275 765 L HA 0.458 4.794 4.340 -0.007 0.000 0.288 765 L C -1.121 175.794 176.870 0.075 0.000 1.046 765 L CA -1.867 53.026 54.840 0.088 0.000 0.805 765 L CB 0.609 42.738 42.059 0.115 0.000 1.193 765 L HN 0.079 nan 8.230 nan 0.000 0.426 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.136 63.100 0.060 0.000 0.800 766 P CB 0.000 31.728 31.700 0.046 0.000 0.726