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 3g0g_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 0.000 176.654 176.600 0.090 0.000 0.988 41 K CA 0.000 56.340 56.287 0.088 0.000 0.838 41 K CB 0.000 32.556 32.500 0.093 0.000 1.064 42 T N -1.818 112.795 114.554 0.098 0.000 2.940 42 T HA 0.329 4.675 4.350 -0.006 0.000 0.288 42 T C -0.774 174.012 174.700 0.142 0.000 1.045 42 T CA -0.755 61.410 62.100 0.108 0.000 1.018 42 T CB 0.860 69.792 68.868 0.107 0.000 1.151 42 T HN 0.500 nan 8.240 nan 0.000 0.529 43 Y N 2.981 123.299 120.300 0.030 0.000 2.697 43 Y HA 0.317 4.863 4.550 -0.006 0.000 0.349 43 Y C 1.088 177.102 175.900 0.190 0.000 1.120 43 Y CA 0.084 58.223 58.100 0.065 0.000 1.468 43 Y CB -0.349 38.111 38.460 -0.001 0.000 1.182 43 Y HN 0.959 nan 8.280 nan 0.000 0.525 44 T N 2.327 116.821 114.554 -0.099 0.000 2.881 44 T HA 0.163 4.509 4.350 -0.006 0.000 0.278 44 T C 0.951 175.539 174.700 -0.185 0.000 0.982 44 T CA -0.823 61.280 62.100 0.005 0.000 0.989 44 T CB 1.387 70.246 68.868 -0.016 0.000 1.058 44 T HN 0.681 nan 8.240 nan 0.000 0.529 45 L N 1.189 122.168 121.223 -0.408 0.000 2.083 45 L HA 0.008 4.344 4.340 -0.006 0.000 0.209 45 L C 2.590 179.336 176.870 -0.207 0.000 1.083 45 L CA 2.068 56.576 54.840 -0.554 0.000 0.752 45 L CB -1.255 40.318 42.059 -0.810 0.000 0.899 45 L HN 0.961 nan 8.230 nan 0.000 0.433 46 T N -0.826 113.627 114.554 -0.168 0.000 2.746 46 T HA -0.161 4.185 4.350 -0.006 0.000 0.267 46 T C 1.501 176.132 174.700 -0.115 0.000 1.039 46 T CA 1.371 63.405 62.100 -0.111 0.000 1.142 46 T CB -0.404 68.420 68.868 -0.074 0.000 0.866 46 T HN 0.374 nan 8.240 nan 0.000 0.444 47 D N 0.217 120.517 120.400 -0.167 0.000 2.116 47 D HA -0.110 4.526 4.640 -0.006 0.000 0.193 47 D C 1.745 177.967 176.300 -0.130 0.000 0.998 47 D CA 1.133 55.017 54.000 -0.195 0.000 0.836 47 D CB -0.434 40.120 40.800 -0.411 0.000 0.951 47 D HN 0.413 nan 8.370 nan 0.000 0.449 48 Y N 1.465 121.587 120.300 -0.297 0.000 2.089 48 Y HA -0.145 4.402 4.550 -0.006 0.000 0.282 48 Y C 2.267 178.185 175.900 0.030 0.000 1.139 48 Y CA 1.351 59.462 58.100 0.018 0.000 1.123 48 Y CB -0.727 37.818 38.460 0.142 0.000 0.980 48 Y HN -0.085 nan 8.280 nan 0.000 0.493 49 L N -0.184 120.895 121.223 -0.241 0.000 2.083 49 L HA -0.196 4.140 4.340 -0.006 0.000 0.209 49 L C 2.133 178.906 176.870 -0.162 0.000 1.083 49 L CA 1.625 56.288 54.840 -0.294 0.000 0.752 49 L CB -0.491 41.469 42.059 -0.166 0.000 0.899 49 L HN 0.065 nan 8.230 nan 0.000 0.433 50 K N -0.045 120.291 120.400 -0.107 0.000 2.459 50 K HA 0.008 4.324 4.320 -0.006 0.000 0.193 50 K C 0.320 176.883 176.600 -0.061 0.000 1.030 50 K CA 0.086 56.329 56.287 -0.073 0.000 1.026 50 K CB -0.396 32.065 32.500 -0.064 0.000 0.809 50 K HN 0.232 nan 8.250 nan 0.000 0.504 51 N N 0.468 119.140 118.700 -0.046 0.000 2.708 51 N HA -0.215 4.521 4.740 -0.006 0.000 0.255 51 N C -0.412 175.101 175.510 0.006 0.000 1.046 51 N CA 0.411 53.472 53.050 0.018 0.000 0.715 51 N CB -0.588 37.897 38.487 -0.003 0.000 0.895 51 N HN 0.149 nan 8.380 nan 0.000 0.545 52 T N -0.065 114.476 114.554 -0.022 0.000 2.857 52 T HA -0.112 4.234 4.350 -0.006 0.000 0.266 52 T C 0.365 174.878 174.700 -0.313 0.000 1.048 52 T CA 1.258 63.236 62.100 -0.204 0.000 1.139 52 T CB -0.105 68.576 68.868 -0.312 0.000 0.874 52 T HN 0.413 nan 8.240 nan 0.000 0.455 53 Y N 1.871 122.248 120.300 0.128 0.000 2.841 53 Y HA 0.448 4.995 4.550 -0.006 0.000 0.329 53 Y C 0.601 176.602 175.900 0.170 0.000 1.062 53 Y CA -1.028 57.175 58.100 0.171 0.000 1.281 53 Y CB 0.262 38.880 38.460 0.263 0.000 1.147 53 Y HN -0.123 nan 8.280 nan 0.000 0.521 54 R N 2.457 123.073 120.500 0.193 0.000 2.441 54 R HA 0.426 4.763 4.340 -0.006 0.000 0.284 54 R C -0.796 175.609 176.300 0.175 0.000 1.070 54 R CA -0.536 55.656 56.100 0.153 0.000 1.047 54 R CB 0.703 31.051 30.300 0.080 0.000 1.016 54 R HN 0.605 nan 8.270 nan 0.000 0.477 55 L N 4.565 125.889 121.223 0.168 0.000 2.260 55 L HA 0.273 4.609 4.340 -0.006 0.000 0.289 55 L C 0.116 177.059 176.870 0.122 0.000 1.057 55 L CA -0.255 54.690 54.840 0.174 0.000 0.811 55 L CB 1.132 43.313 42.059 0.204 0.000 1.184 55 L HN 0.434 nan 8.230 nan 0.000 0.429 56 K N 3.451 123.914 120.400 0.106 0.000 2.322 56 K HA 0.385 4.701 4.320 -0.006 0.000 0.283 56 K C -0.560 176.038 176.600 -0.003 0.000 1.042 56 K CA -0.472 55.846 56.287 0.051 0.000 0.958 56 K CB 1.006 33.536 32.500 0.050 0.000 0.984 56 K HN 0.277 nan 8.250 nan 0.000 0.473 57 L N 2.030 123.199 121.223 -0.090 0.000 2.492 57 L HA 0.400 4.736 4.340 -0.006 0.000 0.263 57 L C -0.683 175.923 176.870 -0.440 0.000 1.062 57 L CA -0.467 54.197 54.840 -0.293 0.000 0.817 57 L CB 0.288 42.296 42.059 -0.085 0.000 1.441 57 L HN 0.492 nan 8.230 nan 0.000 0.493 58 Y N 0.050 119.900 120.300 -0.750 0.000 2.542 58 Y HA 0.322 4.868 4.550 -0.006 0.000 0.316 58 Y C -0.253 175.567 175.900 -0.133 0.000 1.107 58 Y CA -0.418 57.458 58.100 -0.374 0.000 1.233 58 Y CB 1.105 39.226 38.460 -0.565 0.000 1.111 58 Y HN 0.472 nan 8.280 nan 0.000 0.613 59 S N 3.962 119.634 115.700 -0.047 0.000 2.528 59 S HA 0.648 5.114 4.470 -0.006 0.000 0.277 59 S C -0.677 173.916 174.600 -0.012 0.000 1.297 59 S CA -0.249 57.950 58.200 -0.000 0.000 1.052 59 S CB -0.144 63.044 63.200 -0.021 0.000 0.917 59 S HN 0.580 nan 8.310 nan 0.000 0.492 60 L N 2.973 124.168 121.223 -0.046 0.000 2.393 60 L HA 0.769 5.105 4.340 -0.006 0.000 0.260 60 L C -0.715 176.087 176.870 -0.113 0.000 1.002 60 L CA -0.855 53.909 54.840 -0.126 0.000 0.818 60 L CB 1.869 43.617 42.059 -0.519 0.000 1.369 60 L HN 0.531 nan 8.230 nan 0.000 0.412 61 R N 1.368 121.846 120.500 -0.038 0.000 2.435 61 R HA 0.416 4.752 4.340 -0.006 0.000 0.308 61 R C -1.696 174.655 176.300 0.085 0.000 0.975 61 R CA -0.351 55.780 56.100 0.052 0.000 0.867 61 R CB 1.201 31.579 30.300 0.131 0.000 1.171 61 R HN 0.735 nan 8.270 nan 0.000 0.470 62 W N 4.189 125.598 121.300 0.182 0.000 2.251 62 W HA 0.029 4.685 4.660 -0.006 0.000 0.327 62 W C 0.996 177.596 176.519 0.135 0.000 1.361 62 W CA -0.313 57.147 57.345 0.191 0.000 1.234 62 W CB 0.308 29.871 29.460 0.172 0.000 1.212 62 W HN 0.520 nan 8.180 nan 0.000 0.557 63 I N 2.076 122.851 120.570 0.343 0.000 3.339 63 I HA -0.045 4.122 4.170 -0.006 0.000 0.285 63 I C 1.305 177.500 176.117 0.129 0.000 1.201 63 I CA 0.835 62.234 61.300 0.165 0.000 1.434 63 I CB -0.327 37.698 38.000 0.042 0.000 1.152 63 I HN 0.413 nan 8.210 nan 0.000 0.443 64 S N -1.784 114.006 115.700 0.151 0.000 3.642 64 S HA 0.294 4.761 4.470 -0.006 0.000 0.312 64 S C 0.491 175.091 174.600 -0.001 0.000 1.117 64 S CA -0.201 58.006 58.200 0.012 0.000 1.104 64 S CB 0.736 63.854 63.200 -0.136 0.000 1.397 64 S HN -0.021 nan 8.310 nan 0.000 0.756 65 D N -0.049 120.216 120.400 -0.225 0.000 2.360 65 D HA 0.189 4.825 4.640 -0.006 0.000 0.210 65 D C 0.783 177.130 176.300 0.078 0.000 1.047 65 D CA 0.538 54.468 54.000 -0.116 0.000 0.854 65 D CB 0.051 40.831 40.800 -0.032 0.000 0.936 65 D HN 0.675 nan 8.370 nan 0.000 0.514 66 H N -2.041 117.233 119.070 0.340 0.000 3.394 66 H HA 0.422 4.974 4.556 -0.007 0.000 0.256 66 H C -0.465 175.060 175.328 0.327 0.000 1.180 66 H CA -0.334 55.953 56.048 0.399 0.000 1.064 66 H CB 0.018 30.002 29.762 0.369 0.000 1.854 66 H HN 0.015 nan 8.280 nan 0.000 0.731 67 E N 1.141 121.577 120.200 0.394 0.000 2.340 67 E HA 0.456 4.802 4.350 -0.006 0.000 0.273 67 E C -1.616 175.172 176.600 0.313 0.000 0.891 67 E CA -1.071 55.474 56.400 0.242 0.000 0.757 67 E CB 3.034 32.797 29.700 0.105 0.000 1.231 67 E HN 0.281 nan 8.360 nan 0.000 0.439 68 Y N -0.336 119.984 120.300 0.033 0.000 2.625 68 Y HA 0.645 5.191 4.550 -0.006 0.000 0.338 68 Y C -1.746 174.133 175.900 -0.035 0.000 1.123 68 Y CA -1.344 56.682 58.100 -0.122 0.000 1.046 68 Y CB 0.769 38.855 38.460 -0.624 0.000 1.299 68 Y HN 0.340 nan 8.280 nan 0.000 0.464 69 L N 2.245 123.592 121.223 0.207 0.000 2.375 69 L HA 0.536 4.872 4.340 -0.006 0.000 0.268 69 L C -1.344 175.745 176.870 0.365 0.000 1.058 69 L CA -1.101 53.854 54.840 0.193 0.000 0.803 69 L CB 1.564 43.687 42.059 0.106 0.000 1.212 69 L HN 0.773 nan 8.230 nan 0.000 0.451 70 Y N 1.961 122.358 120.300 0.161 0.000 2.362 70 Y HA 0.339 4.885 4.550 -0.006 0.000 0.326 70 Y C -0.357 175.569 175.900 0.043 0.000 1.083 70 Y CA -0.923 57.203 58.100 0.043 0.000 1.073 70 Y CB 1.461 39.880 38.460 -0.068 0.000 1.211 70 Y HN 0.495 nan 8.280 nan 0.000 0.433 71 K N 2.892 122.990 120.400 -0.504 0.000 2.731 71 K HA 0.569 4.885 4.320 -0.006 0.000 0.284 71 K C -0.824 175.380 176.600 -0.661 0.000 1.027 71 K CA -0.259 55.790 56.287 -0.397 0.000 1.040 71 K CB 0.851 33.262 32.500 -0.148 0.000 1.334 71 K HN 0.896 nan 8.250 nan 0.000 0.498 76 I N 2.994 123.525 120.570 -0.064 0.000 2.389 76 I HA 0.430 4.597 4.170 -0.006 0.000 0.288 76 I C -0.663 175.498 176.117 0.073 0.000 0.999 76 I CA -0.648 60.630 61.300 -0.035 0.000 1.129 76 I CB 1.071 38.997 38.000 -0.122 0.000 1.288 76 I HN 0.252 nan 8.210 nan 0.000 0.444 77 L N 6.449 127.747 121.223 0.124 0.000 2.304 77 L HA 0.656 4.992 4.340 -0.006 0.000 0.268 77 L C -0.331 176.595 176.870 0.094 0.000 1.010 77 L CA -0.992 53.915 54.840 0.111 0.000 0.813 77 L CB 2.156 44.291 42.059 0.128 0.000 1.315 77 L HN 0.189 nan 8.230 nan 0.000 0.445 78 V N 1.030 120.907 119.914 -0.062 0.000 2.487 78 V HA 0.437 4.553 4.120 -0.006 0.000 0.298 78 V C -0.717 175.206 176.094 -0.286 0.000 1.028 78 V CA -0.522 61.704 62.300 -0.124 0.000 0.860 78 V CB 1.698 33.431 31.823 -0.149 0.000 0.991 78 V HN 0.366 nan 8.190 nan 0.000 0.427 79 F N 2.429 122.086 119.950 -0.487 0.000 2.450 79 F HA 0.433 4.956 4.527 -0.006 0.000 0.332 79 F C 0.638 176.149 175.800 -0.481 0.000 1.093 79 F CA -0.582 57.082 58.000 -0.559 0.000 1.003 79 F CB 1.443 39.907 39.000 -0.892 0.000 1.151 79 F HN 0.446 nan 8.300 nan 0.000 0.474 80 N N 1.749 120.393 118.700 -0.094 0.000 2.439 80 N HA 0.364 5.100 4.740 -0.006 0.000 0.249 80 N C 0.525 176.016 175.510 -0.032 0.000 1.003 80 N CA -0.077 52.962 53.050 -0.018 0.000 0.942 80 N CB 1.268 39.786 38.487 0.052 0.000 1.115 80 N HN 0.824 nan 8.380 nan 0.000 0.505 81 A N 3.912 126.676 122.820 -0.094 0.000 1.933 81 A HA -0.143 4.173 4.320 -0.006 0.000 0.218 81 A C 1.865 179.160 177.584 -0.481 0.000 1.175 81 A CA 1.082 52.914 52.037 -0.341 0.000 0.628 81 A CB -0.225 18.352 19.000 -0.704 0.000 0.814 81 A HN 0.784 nan 8.150 nan 0.000 0.444 82 E N -1.222 118.784 120.200 -0.323 0.000 2.065 82 E HA -0.242 4.104 4.350 -0.006 0.000 0.201 82 E C 1.506 177.802 176.600 -0.506 0.000 1.016 82 E CA 2.129 58.349 56.400 -0.301 0.000 0.818 82 E CB -0.278 29.294 29.700 -0.214 0.000 0.749 82 E HN 0.857 nan 8.360 nan 0.000 0.453 83 Y N -2.585 117.704 120.300 -0.018 0.000 3.105 83 Y HA 0.331 4.877 4.550 -0.006 0.000 0.216 83 Y C 1.713 177.607 175.900 -0.011 0.000 0.943 83 Y CA 0.408 58.503 58.100 -0.009 0.000 1.535 83 Y CB 0.683 39.138 38.460 -0.008 0.000 1.475 83 Y HN 0.156 nan 8.280 nan 0.000 0.435 84 G N 0.097 108.996 108.800 0.165 0.000 2.834 84 G HA2 -0.174 3.782 3.960 -0.006 0.000 0.217 84 G HA3 -0.174 3.782 3.960 -0.006 0.000 0.217 84 G C -0.855 174.069 174.900 0.041 0.000 0.974 84 G CA -0.387 44.780 45.100 0.113 0.000 0.826 84 G HN 0.320 nan 8.290 nan 0.000 0.584 85 N N 1.706 120.411 118.700 0.008 0.000 2.427 85 N HA 0.300 5.036 4.740 -0.006 0.000 0.269 85 N C 0.149 175.528 175.510 -0.217 0.000 1.235 85 N CA 0.780 53.780 53.050 -0.083 0.000 0.934 85 N CB 1.076 39.523 38.487 -0.066 0.000 1.121 85 N HN 0.547 nan 8.380 nan 0.000 0.480 86 S N 1.193 116.682 115.700 -0.353 0.000 2.438 86 S HA 0.502 4.968 4.470 -0.006 0.000 0.293 86 S C -0.079 174.306 174.600 -0.357 0.000 1.141 86 S CA -0.921 56.893 58.200 -0.643 0.000 1.080 86 S CB 0.628 63.165 63.200 -1.105 0.000 0.978 86 S HN 0.686 nan 8.310 nan 0.000 0.479 87 S N 2.004 117.533 115.700 -0.285 0.000 2.526 87 S HA 0.632 5.098 4.470 -0.006 0.000 0.293 87 S C -0.243 174.302 174.600 -0.092 0.000 1.092 87 S CA -0.937 57.175 58.200 -0.148 0.000 0.980 87 S CB 0.925 64.072 63.200 -0.088 0.000 1.048 87 S HN 0.667 nan 8.310 nan 0.000 0.483 88 V N 3.017 122.897 119.914 -0.056 0.000 2.763 88 V HA 0.136 4.252 4.120 -0.006 0.000 0.306 88 V C 0.512 176.647 176.094 0.068 0.000 1.059 88 V CA 0.352 62.646 62.300 -0.010 0.000 1.138 88 V CB -0.083 31.717 31.823 -0.038 0.000 0.940 88 V HN 1.011 nan 8.190 nan 0.000 0.489 89 F N 3.200 123.101 119.950 -0.081 0.000 2.619 89 F HA 0.509 5.032 4.527 -0.006 0.000 0.281 89 F C 0.275 176.026 175.800 -0.082 0.000 1.065 89 F CA 0.060 58.018 58.000 -0.069 0.000 1.304 89 F CB 0.752 39.721 39.000 -0.052 0.000 1.059 89 F HN 0.318 nan 8.300 nan 0.000 0.648 90 L N 1.048 122.259 121.223 -0.020 0.000 2.438 90 L HA 0.326 4.662 4.340 -0.006 0.000 0.270 90 L C -0.681 176.116 176.870 -0.120 0.000 0.972 90 L CA -0.519 54.240 54.840 -0.136 0.000 0.831 90 L CB 1.735 43.733 42.059 -0.102 0.000 1.273 90 L HN -0.128 nan 8.230 nan 0.000 0.405 91 E N 1.009 121.112 120.200 -0.163 0.000 2.404 91 E HA 0.053 4.399 4.350 -0.006 0.000 0.261 91 E C 0.876 177.402 176.600 -0.123 0.000 1.074 91 E CA 0.153 56.473 56.400 -0.134 0.000 0.917 91 E CB 0.739 30.349 29.700 -0.150 0.000 0.965 91 E HN 0.567 nan 8.360 nan 0.000 0.433 92 N N 0.460 119.108 118.700 -0.087 0.000 2.520 92 N HA -0.150 4.586 4.740 -0.006 0.000 0.185 92 N C 0.431 175.902 175.510 -0.064 0.000 1.068 92 N CA 1.135 54.146 53.050 -0.065 0.000 0.911 92 N CB 0.030 38.489 38.487 -0.047 0.000 0.961 92 N HN 0.217 nan 8.380 nan 0.000 0.446 93 S N -3.211 112.432 115.700 -0.095 0.000 2.664 93 S HA 0.220 4.686 4.470 -0.006 0.000 0.245 93 S C 0.887 175.381 174.600 -0.176 0.000 1.019 93 S CA -0.587 57.555 58.200 -0.098 0.000 0.996 93 S CB -0.247 62.907 63.200 -0.076 0.000 0.878 93 S HN 0.131 nan 8.310 nan 0.000 0.493 94 T N 1.353 115.730 114.554 -0.295 0.000 2.821 94 T HA 0.126 4.472 4.350 -0.006 0.000 0.267 94 T C 0.092 174.307 174.700 -0.809 0.000 1.046 94 T CA 1.069 62.803 62.100 -0.610 0.000 1.139 94 T CB -0.378 67.959 68.868 -0.884 0.000 0.871 94 T HN 0.570 nan 8.240 nan 0.000 0.454 95 F N 0.822 120.671 119.950 -0.168 0.000 2.908 95 F HA 0.403 4.926 4.527 -0.007 0.000 0.328 95 F C 0.952 176.738 175.800 -0.022 0.000 1.211 95 F CA -1.199 56.725 58.000 -0.126 0.000 1.291 95 F CB 0.044 38.867 39.000 -0.294 0.000 0.962 95 F HN -0.061 nan 8.300 nan 0.000 0.505 96 D N 0.898 121.332 120.400 0.056 0.000 2.219 96 D HA -0.091 4.545 4.640 -0.006 0.000 0.205 96 D C 0.767 177.108 176.300 0.068 0.000 0.970 96 D CA 1.303 55.331 54.000 0.046 0.000 0.851 96 D CB 0.269 41.065 40.800 -0.007 0.000 0.943 96 D HN 0.348 nan 8.370 nan 0.000 0.488 97 E N -0.737 119.518 120.200 0.091 0.000 3.846 97 E HA 0.058 4.404 4.350 -0.006 0.000 0.216 97 E C 0.112 176.804 176.600 0.153 0.000 1.092 97 E CA -0.303 56.146 56.400 0.081 0.000 1.370 97 E CB 0.132 29.852 29.700 0.034 0.000 1.227 97 E HN 0.277 nan 8.360 nan 0.000 0.442 98 F N 0.614 120.585 119.950 0.035 0.000 2.367 98 F HA 0.046 4.569 4.527 -0.006 0.000 0.298 98 F C 1.661 177.440 175.800 -0.035 0.000 1.094 98 F CA 1.531 59.556 58.000 0.041 0.000 1.409 98 F CB 0.518 39.544 39.000 0.044 0.000 1.064 98 F HN 0.427 nan 8.300 nan 0.000 0.528 99 G N -0.452 108.237 108.800 -0.185 0.000 2.241 99 G HA2 -0.243 3.713 3.960 -0.006 0.000 0.244 99 G HA3 -0.243 3.713 3.960 -0.006 0.000 0.244 99 G C 0.266 174.802 174.900 -0.607 0.000 0.998 99 G CA 0.322 45.177 45.100 -0.409 0.000 0.621 99 G HN 0.498 nan 8.290 nan 0.000 0.519 100 H N -0.385 118.470 119.070 -0.359 0.000 2.824 100 H HA 0.713 5.265 4.556 -0.006 0.000 0.345 100 H C -0.583 174.782 175.328 0.062 0.000 1.252 100 H CA 0.106 56.031 56.048 -0.206 0.000 1.246 100 H CB 1.569 31.015 29.762 -0.526 0.000 1.908 100 H HN 0.164 nan 8.280 nan 0.000 0.601 101 S N 0.957 116.802 115.700 0.242 0.000 2.433 101 S HA 0.341 4.807 4.470 -0.006 0.000 0.310 101 S C -0.440 174.267 174.600 0.179 0.000 1.097 101 S CA -0.712 57.593 58.200 0.175 0.000 1.103 101 S CB -0.427 62.844 63.200 0.118 0.000 0.992 101 S HN 0.302 nan 8.310 nan 0.000 0.469 102 I N 5.605 126.236 120.570 0.102 0.000 2.363 102 I HA 0.217 4.383 4.170 -0.006 0.000 0.292 102 I C 1.429 177.556 176.117 0.017 0.000 1.075 102 I CA -0.110 61.207 61.300 0.029 0.000 1.333 102 I CB 0.638 38.576 38.000 -0.102 0.000 1.415 102 I HN 0.698 nan 8.210 nan 0.000 0.502 103 N N 3.933 122.636 118.700 0.005 0.000 2.109 103 N HA -0.107 4.629 4.740 -0.006 0.000 0.188 103 N C 0.015 175.466 175.510 -0.097 0.000 1.034 103 N CA 1.427 54.429 53.050 -0.079 0.000 0.846 103 N CB 0.293 38.703 38.487 -0.129 0.000 1.010 103 N HN 0.712 nan 8.380 nan 0.000 0.425 104 D N -2.755 117.606 120.400 -0.065 0.000 2.609 104 D HA 0.227 4.864 4.640 -0.006 0.000 0.239 104 D C -1.650 174.656 176.300 0.010 0.000 1.229 104 D CA -0.669 53.279 54.000 -0.086 0.000 0.808 104 D CB 0.816 41.536 40.800 -0.133 0.000 1.448 104 D HN 0.172 nan 8.370 nan 0.000 0.433 105 Y N -0.644 119.664 120.300 0.013 0.000 2.562 105 Y HA 0.810 5.356 4.550 -0.007 0.000 0.343 105 Y C -0.659 175.314 175.900 0.121 0.000 1.025 105 Y CA -1.148 56.979 58.100 0.044 0.000 1.082 105 Y CB 2.010 40.483 38.460 0.023 0.000 1.264 105 Y HN 0.168 nan 8.280 nan 0.000 0.478 106 S N 3.461 119.374 115.700 0.355 0.000 2.614 106 S HA 0.487 4.954 4.470 -0.006 0.000 0.259 106 S C -1.329 173.591 174.600 0.532 0.000 1.118 106 S CA -0.742 57.678 58.200 0.368 0.000 1.065 106 S CB -0.096 63.272 63.200 0.279 0.000 1.121 106 S HN 0.632 nan 8.310 nan 0.000 0.458 107 I N 4.093 124.909 120.570 0.410 0.000 2.638 107 I HA 0.275 4.441 4.170 -0.006 0.000 0.286 107 I C 1.254 177.347 176.117 -0.041 0.000 1.088 107 I CA -0.282 61.175 61.300 0.262 0.000 1.397 107 I CB 0.865 38.975 38.000 0.182 0.000 1.414 107 I HN 0.778 nan 8.210 nan 0.000 0.566 108 S N 5.027 120.402 115.700 -0.541 0.000 2.592 108 S HA 0.255 4.721 4.470 -0.006 0.000 0.271 108 S C -1.882 172.435 174.600 -0.471 0.000 1.326 108 S CA -0.997 56.430 58.200 -1.288 0.000 1.024 108 S CB 0.894 63.136 63.200 -1.595 0.000 0.921 108 S HN 0.442 nan 8.310 nan 0.000 0.527 109 P HA -0.063 nan 4.420 nan 0.000 0.223 109 P C 0.433 177.680 177.300 -0.088 0.000 1.144 109 P CA 1.109 64.132 63.100 -0.128 0.000 0.783 109 P CB -0.150 31.498 31.700 -0.085 0.000 0.771 110 D N -2.385 117.954 120.400 -0.102 0.000 2.349 110 D HA 0.134 4.771 4.640 -0.006 0.000 0.214 110 D C 1.319 177.603 176.300 -0.025 0.000 1.063 110 D CA 0.131 54.112 54.000 -0.031 0.000 0.847 110 D CB -1.089 39.727 40.800 0.028 0.000 0.933 110 D HN 0.095 nan 8.370 nan 0.000 0.513 111 G N 0.725 109.496 108.800 -0.049 0.000 2.203 111 G HA2 -0.402 3.555 3.960 -0.006 0.000 0.263 111 G HA3 -0.402 3.555 3.960 -0.006 0.000 0.263 111 G C 0.805 175.694 174.900 -0.018 0.000 1.012 111 G CA 0.755 45.867 45.100 0.019 0.000 0.749 111 G HN 0.472 nan 8.290 nan 0.000 0.512 112 Q N -1.855 117.862 119.800 -0.138 0.000 2.391 112 Q HA 0.388 4.724 4.340 -0.006 0.000 0.211 112 Q C 0.108 175.657 176.000 -0.751 0.000 0.908 112 Q CA 0.579 56.126 55.803 -0.428 0.000 0.920 112 Q CB 0.552 28.996 28.738 -0.489 0.000 1.056 112 Q HN 0.561 nan 8.270 nan 0.000 0.523 113 F N -0.130 119.754 119.950 -0.109 0.000 2.578 113 F HA 0.454 4.977 4.527 -0.007 0.000 0.311 113 F C -0.668 175.222 175.800 0.151 0.000 1.094 113 F CA -1.093 56.915 58.000 0.014 0.000 0.923 113 F CB 1.769 40.781 39.000 0.021 0.000 1.230 113 F HN -0.173 nan 8.300 nan 0.000 0.450 114 I N 4.253 125.117 120.570 0.491 0.000 2.378 114 I HA 0.486 4.653 4.170 -0.006 0.000 0.291 114 I C -1.539 174.862 176.117 0.473 0.000 0.992 114 I CA -1.014 60.564 61.300 0.463 0.000 1.154 114 I CB 1.120 39.341 38.000 0.368 0.000 1.315 114 I HN 0.536 nan 8.210 nan 0.000 0.448 115 L N 8.507 130.029 121.223 0.498 0.000 2.326 115 L HA 0.498 4.834 4.340 -0.006 0.000 0.278 115 L C -1.238 175.758 176.870 0.211 0.000 1.092 115 L CA 0.001 55.040 54.840 0.330 0.000 0.810 115 L CB 1.100 43.291 42.059 0.221 0.000 1.153 115 L HN 0.510 nan 8.230 nan 0.000 0.439 116 L N 4.910 126.219 121.223 0.144 0.000 2.325 116 L HA 0.510 4.846 4.340 -0.006 0.000 0.281 116 L C -0.294 176.637 176.870 0.101 0.000 1.004 116 L CA -0.484 54.362 54.840 0.010 0.000 0.823 116 L CB 1.699 43.578 42.059 -0.300 0.000 1.236 116 L HN 0.621 nan 8.230 nan 0.000 0.415 117 E N 3.858 124.064 120.200 0.010 0.000 2.134 117 E HA 0.447 4.793 4.350 -0.006 0.000 0.278 117 E C -1.692 174.868 176.600 -0.066 0.000 0.959 117 E CA -0.508 55.747 56.400 -0.242 0.000 0.783 117 E CB 1.171 30.794 29.700 -0.129 0.000 1.095 117 E HN 0.450 nan 8.360 nan 0.000 0.399 118 Y N 1.673 121.785 120.300 -0.313 0.000 2.655 118 Y HA 0.439 4.985 4.550 -0.006 0.000 0.336 118 Y C -0.500 175.304 175.900 -0.159 0.000 1.154 118 Y CA -1.624 56.386 58.100 -0.149 0.000 1.055 118 Y CB 0.657 39.096 38.460 -0.034 0.000 1.295 118 Y HN 0.484 nan 8.280 nan 0.000 0.465 119 N N 0.268 118.952 118.700 -0.028 0.000 2.727 119 N HA -0.287 4.449 4.740 -0.006 0.000 0.251 119 N C -1.340 174.118 175.510 -0.087 0.000 1.040 119 N CA 0.914 53.911 53.050 -0.089 0.000 0.712 119 N CB -1.507 36.833 38.487 -0.245 0.000 0.912 119 N HN 0.865 nan 8.380 nan 0.000 0.545 120 Y N 0.093 120.307 120.300 -0.143 0.000 2.496 120 Y HA 0.336 4.882 4.550 -0.006 0.000 0.334 120 Y C 0.001 175.849 175.900 -0.087 0.000 1.080 120 Y CA -0.166 57.836 58.100 -0.162 0.000 1.355 120 Y CB 0.714 39.048 38.460 -0.211 0.000 1.193 120 Y HN 0.038 nan 8.280 nan 0.000 0.523 121 V N 8.126 127.761 119.914 -0.466 0.000 2.380 121 V HA 0.195 4.311 4.120 -0.006 0.000 0.286 121 V C -0.199 175.587 176.094 -0.512 0.000 1.015 121 V CA -1.363 60.718 62.300 -0.364 0.000 0.834 121 V CB 1.138 32.852 31.823 -0.182 0.000 1.009 121 V HN 0.711 nan 8.190 nan 0.000 0.428 122 K N 3.551 123.644 120.400 -0.511 0.000 2.436 122 K HA 0.166 4.482 4.320 -0.006 0.000 0.275 122 K C 0.509 176.950 176.600 -0.265 0.000 0.999 122 K CA 0.288 56.373 56.287 -0.337 0.000 0.980 122 K CB 1.083 33.565 32.500 -0.030 0.000 0.919 122 K HN 0.802 nan 8.250 nan 0.000 0.484 123 Q N 2.940 122.553 119.800 -0.311 0.000 2.451 123 Q HA 0.148 4.484 4.340 -0.006 0.000 0.189 123 Q C 0.047 175.809 176.000 -0.397 0.000 0.862 123 Q CA -0.214 55.222 55.803 -0.613 0.000 0.786 123 Q CB 0.096 28.292 28.738 -0.903 0.000 1.295 123 Q HN 0.728 nan 8.270 nan 0.000 0.580 124 W N -0.049 121.229 121.300 -0.037 0.000 1.941 124 W HA 0.385 5.041 4.660 -0.007 0.000 0.629 124 W C 1.797 178.288 176.519 -0.047 0.000 1.517 124 W CA -0.799 56.550 57.345 0.007 0.000 1.502 124 W CB -0.130 29.298 29.460 -0.052 0.000 3.266 124 W HN 0.177 nan 8.180 nan 0.000 0.765 125 R N -0.595 119.988 120.500 0.139 0.000 2.090 125 R HA -0.113 4.223 4.340 -0.006 0.000 0.228 125 R C 1.672 177.794 176.300 -0.297 0.000 1.110 125 R CA 1.578 57.591 56.100 -0.144 0.000 0.973 125 R CB -0.282 29.804 30.300 -0.356 0.000 0.869 125 R HN 0.506 nan 8.270 nan 0.000 0.440 126 H N -1.231 117.893 119.070 0.091 0.000 2.521 126 H HA 0.129 4.681 4.556 -0.006 0.000 0.267 126 H C 0.673 176.031 175.328 0.050 0.000 0.963 126 H CA 0.513 56.624 56.048 0.106 0.000 1.175 126 H CB -0.077 29.723 29.762 0.063 0.000 1.450 126 H HN 0.116 nan 8.280 nan 0.000 0.472 127 S N 1.679 117.313 115.700 -0.109 0.000 2.563 127 S HA 0.230 4.696 4.470 -0.006 0.000 0.284 127 S C -0.169 174.219 174.600 -0.354 0.000 1.331 127 S CA -0.254 57.526 58.200 -0.701 0.000 1.047 127 S CB 0.198 62.526 63.200 -1.453 0.000 0.859 127 S HN 0.445 nan 8.310 nan 0.000 0.514 128 Y N -1.917 118.224 120.300 -0.265 0.000 2.788 128 Y HA 0.770 5.316 4.550 -0.007 0.000 0.335 128 Y C -0.777 175.082 175.900 -0.069 0.000 1.287 128 Y CA -1.240 56.705 58.100 -0.257 0.000 1.068 128 Y CB 0.809 39.052 38.460 -0.363 0.000 1.340 128 Y HN 0.600 nan 8.280 nan 0.000 0.449 129 T N 1.117 115.768 114.554 0.161 0.000 2.893 129 T HA 0.896 5.242 4.350 -0.006 0.000 0.293 129 T C -1.174 173.601 174.700 0.125 0.000 1.027 129 T CA 0.007 62.200 62.100 0.155 0.000 0.988 129 T CB 1.285 70.165 68.868 0.021 0.000 1.043 129 T HN 1.174 nan 8.240 nan 0.000 0.461 130 A N 1.968 124.864 122.820 0.128 0.000 2.609 130 A HA 0.833 5.149 4.320 -0.006 0.000 0.291 130 A C -0.756 176.636 177.584 -0.320 0.000 1.096 130 A CA -0.731 51.211 52.037 -0.159 0.000 0.684 130 A CB 1.529 20.358 19.000 -0.285 0.000 1.282 130 A HN 0.654 nan 8.150 nan 0.000 0.412 131 S N -0.418 114.867 115.700 -0.692 0.000 2.578 131 S HA 0.737 5.203 4.470 -0.006 0.000 0.283 131 S C -1.461 172.547 174.600 -0.987 0.000 1.195 131 S CA 0.003 57.716 58.200 -0.813 0.000 1.050 131 S CB 0.507 62.983 63.200 -1.206 0.000 1.012 131 S HN 0.434 nan 8.310 nan 0.000 0.511 132 Y N 0.443 120.557 120.300 -0.310 0.000 2.457 132 Y HA 0.430 4.976 4.550 -0.006 0.000 0.343 132 Y C -0.513 175.423 175.900 0.060 0.000 0.994 132 Y CA -0.922 57.126 58.100 -0.086 0.000 1.031 132 Y CB 1.777 40.124 38.460 -0.189 0.000 1.246 132 Y HN 0.489 nan 8.280 nan 0.000 0.449 133 D N 3.087 123.678 120.400 0.318 0.000 2.646 133 D HA 0.521 5.157 4.640 -0.006 0.000 0.245 133 D C -0.679 175.732 176.300 0.185 0.000 1.099 133 D CA -0.303 53.842 54.000 0.241 0.000 0.849 133 D CB 2.327 43.319 40.800 0.319 0.000 1.448 133 D HN 0.380 nan 8.370 nan 0.000 0.489 134 I N 1.584 122.259 120.570 0.175 0.000 2.498 134 I HA 0.336 4.502 4.170 -0.006 0.000 0.301 134 I C -0.793 175.530 176.117 0.342 0.000 0.984 134 I CA -0.962 60.485 61.300 0.246 0.000 1.204 134 I CB 1.255 39.362 38.000 0.178 0.000 1.362 134 I HN 0.263 nan 8.210 nan 0.000 0.471 135 Y N 4.443 124.908 120.300 0.274 0.000 2.373 135 Y HA 0.299 4.846 4.550 -0.006 0.000 0.336 135 Y C -0.589 175.468 175.900 0.261 0.000 0.979 135 Y CA -0.897 57.356 58.100 0.254 0.000 1.080 135 Y CB 1.334 39.955 38.460 0.268 0.000 1.190 135 Y HN 0.501 nan 8.280 nan 0.000 0.446 136 D N 5.663 125.921 120.400 -0.236 0.000 2.348 136 D HA 0.104 4.740 4.640 -0.006 0.000 0.253 136 D C 0.522 176.521 176.300 -0.502 0.000 1.161 136 D CA 0.407 54.199 54.000 -0.348 0.000 0.876 136 D CB 1.344 41.981 40.800 -0.270 0.000 1.160 136 D HN 0.899 nan 8.370 nan 0.000 0.459 137 L N 3.755 124.742 121.223 -0.393 0.000 2.375 137 L HA -0.032 4.304 4.340 -0.006 0.000 0.215 137 L C 2.041 178.758 176.870 -0.254 0.000 1.108 137 L CA 0.132 54.835 54.840 -0.228 0.000 0.830 137 L CB -0.082 41.893 42.059 -0.140 0.000 0.959 137 L HN 0.362 nan 8.230 nan 0.000 0.457 138 N N 0.678 119.190 118.700 -0.313 0.000 2.132 138 N HA -0.106 4.631 4.740 -0.006 0.000 0.187 138 N C 1.565 176.955 175.510 -0.201 0.000 1.038 138 N CA 1.178 54.091 53.050 -0.229 0.000 0.846 138 N CB -0.091 38.261 38.487 -0.225 0.000 1.012 138 N HN 0.282 nan 8.380 nan 0.000 0.429 139 K N 1.337 121.601 120.400 -0.226 0.000 2.365 139 K HA 0.043 4.359 4.320 -0.006 0.000 0.199 139 K C -0.183 176.281 176.600 -0.227 0.000 1.045 139 K CA -0.038 56.136 56.287 -0.188 0.000 0.962 139 K CB -0.030 32.373 32.500 -0.161 0.000 0.759 139 K HN 0.303 nan 8.250 nan 0.000 0.469 140 R N 1.380 121.680 120.500 -0.333 0.000 2.965 140 R HA -0.265 4.071 4.340 -0.006 0.000 0.245 140 R C -1.109 174.920 176.300 -0.451 0.000 0.861 140 R CA 0.760 56.603 56.100 -0.429 0.000 0.614 140 R CB -2.478 27.750 30.300 -0.121 0.000 1.229 140 R HN 0.493 nan 8.270 nan 0.000 0.503 141 Q N 0.290 119.651 119.800 -0.730 0.000 2.575 141 Q HA 0.523 4.859 4.340 -0.006 0.000 0.290 141 Q C -1.104 174.731 176.000 -0.275 0.000 0.963 141 Q CA -1.475 54.138 55.803 -0.317 0.000 0.783 141 Q CB 1.097 29.764 28.738 -0.118 0.000 1.467 141 Q HN 0.080 nan 8.270 nan 0.000 0.402 142 L N 1.930 123.227 121.223 0.125 0.000 2.367 142 L HA 0.312 4.649 4.340 -0.006 0.000 0.275 142 L C -0.032 176.913 176.870 0.124 0.000 1.129 142 L CA -0.145 54.842 54.840 0.244 0.000 0.839 142 L CB 0.175 42.437 42.059 0.338 0.000 1.133 142 L HN 0.658 nan 8.230 nan 0.000 0.453 143 I N 2.729 123.377 120.570 0.131 0.000 2.496 143 I HA 0.036 4.202 4.170 -0.006 0.000 0.285 143 I C 1.434 177.596 176.117 0.075 0.000 1.080 143 I CA 0.507 61.860 61.300 0.088 0.000 1.404 143 I CB 1.095 39.149 38.000 0.090 0.000 1.403 143 I HN 0.743 nan 8.210 nan 0.000 0.539 144 T N 0.735 115.316 114.554 0.045 0.000 2.971 144 T HA 0.181 4.527 4.350 -0.006 0.000 0.252 144 T C 0.362 175.066 174.700 0.005 0.000 1.022 144 T CA -0.261 61.859 62.100 0.033 0.000 0.980 144 T CB 0.072 68.960 68.868 0.032 0.000 1.044 144 T HN 0.583 nan 8.240 nan 0.000 0.501 145 E N 1.641 121.838 120.200 -0.005 0.000 2.277 145 E HA 0.282 4.628 4.350 -0.006 0.000 0.266 145 E C -0.812 175.760 176.600 -0.047 0.000 0.901 145 E CA -0.449 55.936 56.400 -0.027 0.000 0.782 145 E CB 1.257 30.944 29.700 -0.022 0.000 1.228 145 E HN 0.070 nan 8.360 nan 0.000 0.424 146 E N 0.585 120.742 120.200 -0.072 0.000 2.513 146 E HA -0.193 4.153 4.350 -0.006 0.000 0.257 146 E C -0.500 176.019 176.600 -0.135 0.000 1.098 146 E CA 0.562 56.900 56.400 -0.103 0.000 0.752 146 E CB -1.497 28.151 29.700 -0.087 0.000 1.324 146 E HN 0.569 nan 8.360 nan 0.000 0.403 147 R N -0.152 120.264 120.500 -0.140 0.000 2.694 147 R HA 0.332 4.668 4.340 -0.006 0.000 0.268 147 R C 1.089 177.211 176.300 -0.296 0.000 1.061 147 R CA -0.295 55.706 56.100 -0.164 0.000 1.133 147 R CB 0.476 30.714 30.300 -0.104 0.000 1.020 147 R HN 0.102 nan 8.270 nan 0.000 0.475 148 I N 5.059 125.416 120.570 -0.355 0.000 2.598 148 I HA 0.032 4.199 4.170 -0.006 0.000 0.284 148 I C -1.502 174.313 176.117 -0.503 0.000 1.140 148 I CA -1.460 59.473 61.300 -0.613 0.000 1.420 148 I CB 0.275 37.903 38.000 -0.620 0.000 1.387 148 I HN 0.370 nan 8.210 nan 0.000 0.553 149 P HA 0.012 nan 4.420 nan 0.000 0.270 149 P C -0.694 176.406 177.300 -0.334 0.000 1.227 149 P CA -0.274 62.445 63.100 -0.634 0.000 0.788 149 P CB 0.413 31.305 31.700 -1.347 0.000 0.926 150 N N 0.935 119.530 118.700 -0.176 0.000 2.453 150 N HA -0.013 4.724 4.740 -0.006 0.000 0.253 150 N C 0.282 175.886 175.510 0.156 0.000 1.252 150 N CA 0.232 53.254 53.050 -0.047 0.000 0.917 150 N CB -0.692 37.783 38.487 -0.020 0.000 1.117 150 N HN 0.421 nan 8.380 nan 0.000 0.442 151 N N -1.405 117.361 118.700 0.110 0.000 2.758 151 N HA -0.162 4.574 4.740 -0.006 0.000 0.248 151 N C -1.068 174.639 175.510 0.329 0.000 1.076 151 N CA 0.508 53.663 53.050 0.176 0.000 0.696 151 N CB -1.205 37.372 38.487 0.149 0.000 0.979 151 N HN 0.450 nan 8.380 nan 0.000 0.550 152 T N 0.258 114.997 114.554 0.308 0.000 2.884 152 T HA 0.099 4.445 4.350 -0.006 0.000 0.298 152 T C 1.431 176.319 174.700 0.313 0.000 0.998 152 T CA -0.074 62.236 62.100 0.349 0.000 1.124 152 T CB 1.393 70.382 68.868 0.201 0.000 0.931 152 T HN 0.190 nan 8.240 nan 0.000 0.531 153 Q N 1.662 121.628 119.800 0.277 0.000 2.250 153 Q HA 0.159 4.495 4.340 -0.006 0.000 0.200 153 Q C 0.169 176.335 176.000 0.276 0.000 0.941 153 Q CA 0.428 56.395 55.803 0.273 0.000 0.872 153 Q CB 0.800 29.644 28.738 0.176 0.000 0.965 153 Q HN 0.707 nan 8.270 nan 0.000 0.480 154 W N 0.428 121.697 121.300 -0.051 0.000 3.363 154 W HA 0.458 5.114 4.660 -0.007 0.000 0.306 154 W C -2.053 174.389 176.519 -0.129 0.000 1.253 154 W CA -0.891 56.381 57.345 -0.123 0.000 1.195 154 W CB 1.507 30.819 29.460 -0.246 0.000 1.366 154 W HN -0.255 nan 8.180 nan 0.000 0.551 155 V N 1.413 120.599 119.914 -1.213 0.000 2.760 155 V HA 0.833 4.949 4.120 -0.006 0.000 0.309 155 V C -1.052 174.328 176.094 -1.191 0.000 1.077 155 V CA -0.589 61.097 62.300 -1.024 0.000 0.910 155 V CB 1.161 32.331 31.823 -1.089 0.000 1.008 155 V HN 0.561 nan 8.190 nan 0.000 0.424 156 T N 3.974 118.197 114.554 -0.553 0.000 3.032 156 T HA 0.541 4.887 4.350 -0.006 0.000 0.312 156 T C -1.012 173.726 174.700 0.064 0.000 1.078 156 T CA -0.269 61.740 62.100 -0.152 0.000 1.028 156 T CB 0.863 69.919 68.868 0.314 0.000 1.091 156 T HN 0.759 nan 8.240 nan 0.000 0.457 157 W N 3.250 124.596 121.300 0.077 0.000 2.079 157 W HA 0.402 5.058 4.660 -0.007 0.000 0.354 157 W C 1.327 177.709 176.519 -0.228 0.000 1.302 157 W CA -0.652 56.684 57.345 -0.015 0.000 1.281 157 W CB 0.553 30.002 29.460 -0.018 0.000 1.165 157 W HN 0.786 nan 8.180 nan 0.000 0.603 158 S N 1.085 116.555 115.700 -0.383 0.000 2.589 158 S HA 0.133 4.600 4.470 -0.006 0.000 0.265 158 S C -1.824 172.533 174.600 -0.405 0.000 1.342 158 S CA -0.987 56.503 58.200 -1.184 0.000 1.005 158 S CB 0.852 63.303 63.200 -1.249 0.000 0.909 158 S HN 0.273 nan 8.310 nan 0.000 0.555 159 P HA 0.070 nan 4.420 nan 0.000 0.223 159 P C 0.116 177.373 177.300 -0.071 0.000 1.151 159 P CA 0.601 63.663 63.100 -0.063 0.000 0.787 159 P CB -0.226 31.476 31.700 0.004 0.000 0.788 160 V N -6.047 113.781 119.914 -0.143 0.000 2.925 160 V HA 0.895 5.011 4.120 -0.006 0.000 0.311 160 V C 0.355 176.348 176.094 -0.168 0.000 1.104 160 V CA -0.338 61.892 62.300 -0.117 0.000 0.954 160 V CB 1.068 32.841 31.823 -0.083 0.000 1.022 160 V HN 0.408 nan 8.190 nan 0.000 0.427 161 G N 2.733 111.452 108.800 -0.135 0.000 2.498 161 G HA2 -0.141 3.815 3.960 -0.006 0.000 0.245 161 G HA3 -0.141 3.815 3.960 -0.006 0.000 0.245 161 G C 0.188 175.003 174.900 -0.142 0.000 1.204 161 G CA 0.699 45.699 45.100 -0.168 0.000 0.933 161 G HN 2.497 nan 8.290 nan 0.000 0.574 162 H N -0.471 118.553 119.070 -0.076 0.000 3.043 162 H HA 0.388 4.940 4.556 -0.006 0.000 0.244 162 H C 0.408 175.852 175.328 0.193 0.000 1.199 162 H CA -0.070 55.953 56.048 -0.041 0.000 0.956 162 H CB -0.114 29.620 29.762 -0.046 0.000 2.305 162 H HN 0.502 nan 8.280 nan 0.000 0.665 163 K N 1.499 121.890 120.400 -0.014 0.000 2.414 163 K HA 0.230 4.546 4.320 -0.006 0.000 0.272 163 K C -0.819 175.891 176.600 0.184 0.000 0.993 163 K CA -0.196 56.102 56.287 0.019 0.000 0.964 163 K CB 1.027 33.384 32.500 -0.238 0.000 0.925 163 K HN 0.084 nan 8.250 nan 0.000 0.487 164 L N 1.572 122.950 121.223 0.259 0.000 2.436 164 L HA 0.511 4.847 4.340 -0.006 0.000 0.268 164 L C -1.546 175.514 176.870 0.316 0.000 0.974 164 L CA -0.197 54.765 54.840 0.203 0.000 0.826 164 L CB 1.881 43.897 42.059 -0.072 0.000 1.291 164 L HN 0.726 nan 8.230 nan 0.000 0.406 165 A N 3.997 127.011 122.820 0.324 0.000 2.365 165 A HA 0.862 5.178 4.320 -0.006 0.000 0.318 165 A C -1.765 175.847 177.584 0.048 0.000 1.091 165 A CA -0.370 51.745 52.037 0.131 0.000 0.763 165 A CB 1.148 20.145 19.000 -0.004 0.000 1.248 165 A HN 0.881 nan 8.150 nan 0.000 0.442 166 Y N -0.867 119.385 120.300 -0.080 0.000 2.571 166 Y HA 0.716 5.262 4.550 -0.006 0.000 0.341 166 Y C -1.390 174.522 175.900 0.020 0.000 1.076 166 Y CA -1.488 56.550 58.100 -0.104 0.000 1.029 166 Y CB 1.048 39.389 38.460 -0.200 0.000 1.308 166 Y HN 0.412 nan 8.280 nan 0.000 0.461 167 V N 2.636 122.667 119.914 0.195 0.000 2.448 167 V HA 0.402 4.518 4.120 -0.006 0.000 0.295 167 V C -1.402 174.913 176.094 0.368 0.000 1.025 167 V CA -0.594 61.799 62.300 0.156 0.000 0.859 167 V CB 1.279 33.099 31.823 -0.005 0.000 0.988 167 V HN 0.884 nan 8.190 nan 0.000 0.431 168 W N 4.953 126.367 121.300 0.189 0.000 3.097 168 W HA 0.477 5.133 4.660 -0.007 0.000 0.335 168 W C 0.221 176.814 176.519 0.124 0.000 1.114 168 W CA -0.744 56.698 57.345 0.162 0.000 1.231 168 W CB 1.300 30.861 29.460 0.169 0.000 1.388 168 W HN 0.757 nan 8.180 nan 0.000 0.485 169 N N 5.139 123.496 118.700 -0.571 0.000 2.721 169 N HA -0.347 4.389 4.740 -0.006 0.000 0.249 169 N C 0.161 175.507 175.510 -0.274 0.000 1.072 169 N CA 1.173 53.882 53.050 -0.569 0.000 0.710 169 N CB -1.111 36.831 38.487 -0.909 0.000 0.993 169 N HN 0.800 nan 8.380 nan 0.000 0.547 170 N N -2.162 116.435 118.700 -0.171 0.000 2.828 170 N HA -0.187 4.549 4.740 -0.006 0.000 0.248 170 N C -1.216 174.202 175.510 -0.153 0.000 1.044 170 N CA 1.092 54.055 53.050 -0.146 0.000 0.851 170 N CB -0.332 38.022 38.487 -0.220 0.000 1.136 170 N HN 0.451 nan 8.380 nan 0.000 0.572 171 D N 0.357 120.669 120.400 -0.147 0.000 2.350 171 D HA 0.515 5.152 4.640 -0.006 0.000 0.238 171 D C 0.126 176.197 176.300 -0.381 0.000 0.989 171 D CA -0.367 53.451 54.000 -0.303 0.000 0.921 171 D CB 1.581 42.139 40.800 -0.403 0.000 1.297 171 D HN 0.015 nan 8.370 nan 0.000 0.490 172 I N 1.499 121.690 120.570 -0.633 0.000 2.353 172 I HA 0.262 4.428 4.170 -0.006 0.000 0.293 172 I C -0.761 174.832 176.117 -0.874 0.000 0.992 172 I CA -0.533 60.383 61.300 -0.639 0.000 1.268 172 I CB 0.657 38.233 38.000 -0.706 0.000 1.387 172 I HN 0.143 nan 8.210 nan 0.000 0.478 173 Y N 4.307 124.205 120.300 -0.670 0.000 2.462 173 Y HA 0.598 5.144 4.550 -0.006 0.000 0.346 173 Y C -0.395 175.146 175.900 -0.598 0.000 0.976 173 Y CA -0.968 56.689 58.100 -0.738 0.000 1.044 173 Y CB 2.165 39.899 38.460 -1.210 0.000 1.230 173 Y HN 0.125 nan 8.280 nan 0.000 0.455 174 V N 3.719 123.572 119.914 -0.101 0.000 2.444 174 V HA 0.388 4.505 4.120 -0.006 0.000 0.294 174 V C -0.692 175.527 176.094 0.208 0.000 1.022 174 V CA -1.327 61.018 62.300 0.075 0.000 0.850 174 V CB 1.660 33.554 31.823 0.118 0.000 0.992 174 V HN 0.633 nan 8.190 nan 0.000 0.426 175 K N 4.824 125.348 120.400 0.206 0.000 2.240 175 K HA 0.483 4.799 4.320 -0.006 0.000 0.271 175 K C 0.418 177.143 176.600 0.208 0.000 1.018 175 K CA -0.703 55.690 56.287 0.177 0.000 0.874 175 K CB 1.787 34.355 32.500 0.114 0.000 1.098 175 K HN 0.449 nan 8.250 nan 0.000 0.458 176 I N 1.211 121.921 120.570 0.234 0.000 2.500 176 I HA -0.056 4.110 4.170 -0.006 0.000 0.252 176 I C 0.431 176.647 176.117 0.164 0.000 1.142 176 I CA 1.401 62.818 61.300 0.196 0.000 1.451 176 I CB -0.217 37.919 38.000 0.226 0.000 1.093 176 I HN 0.563 nan 8.210 nan 0.000 0.430 177 E N -0.294 119.994 120.200 0.147 0.000 2.314 177 E HA 0.269 4.615 4.350 -0.006 0.000 0.272 177 E C -1.894 174.705 176.600 -0.002 0.000 0.884 177 E CA -1.799 54.677 56.400 0.126 0.000 0.753 177 E CB 2.273 32.045 29.700 0.120 0.000 1.213 177 E HN -0.203 nan 8.360 nan 0.000 0.432 178 P HA -0.221 nan 4.420 nan 0.000 0.216 178 P C 1.006 178.239 177.300 -0.112 0.000 1.154 178 P CA 1.570 64.538 63.100 -0.219 0.000 0.865 178 P CB 0.240 31.615 31.700 -0.542 0.000 0.789 179 N N -0.953 117.703 118.700 -0.073 0.000 2.416 179 N HA -0.047 4.690 4.740 -0.006 0.000 0.177 179 N C 0.608 176.100 175.510 -0.030 0.000 1.036 179 N CA 0.288 53.320 53.050 -0.030 0.000 0.901 179 N CB -0.457 38.033 38.487 0.006 0.000 0.976 179 N HN 0.184 nan 8.380 nan 0.000 0.444 180 L N 1.998 123.206 121.223 -0.026 0.000 2.453 180 L HA 0.281 4.617 4.340 -0.006 0.000 0.261 180 L C -1.940 174.877 176.870 -0.089 0.000 1.179 180 L CA -1.821 52.994 54.840 -0.041 0.000 0.813 180 L CB 0.581 42.632 42.059 -0.014 0.000 1.110 180 L HN 0.006 nan 8.230 nan 0.000 0.466 181 P HA 0.048 nan 4.420 nan 0.000 0.271 181 P C -0.791 176.346 177.300 -0.272 0.000 1.218 181 P CA -0.408 62.588 63.100 -0.173 0.000 0.780 181 P CB 0.864 32.463 31.700 -0.167 0.000 0.901 182 S N 2.228 117.821 115.700 -0.179 0.000 2.603 182 S HA 0.335 4.801 4.470 -0.006 0.000 0.268 182 S C -0.521 173.950 174.600 -0.214 0.000 1.317 182 S CA -0.341 57.783 58.200 -0.126 0.000 1.012 182 S CB -0.049 63.193 63.200 0.070 0.000 0.926 182 S HN 0.302 nan 8.310 nan 0.000 0.539 183 Y N 0.287 120.618 120.300 0.052 0.000 2.320 183 Y HA 0.465 5.011 4.550 -0.006 0.000 0.334 183 Y C 0.817 176.680 175.900 -0.062 0.000 1.055 183 Y CA -0.855 57.261 58.100 0.027 0.000 1.143 183 Y CB 1.017 39.489 38.460 0.021 0.000 1.193 183 Y HN 0.683 nan 8.280 nan 0.000 0.477 184 R N 3.858 124.360 120.500 0.004 0.000 2.210 184 R HA 0.256 4.592 4.340 -0.006 0.000 0.338 184 R C 0.153 176.218 176.300 -0.391 0.000 1.062 184 R CA -0.159 55.654 56.100 -0.480 0.000 0.902 184 R CB 0.185 29.993 30.300 -0.821 0.000 1.050 184 R HN 0.765 nan 8.270 nan 0.000 0.461 185 I N 2.292 122.563 120.570 -0.497 0.000 2.480 185 I HA -0.041 4.125 4.170 -0.006 0.000 0.251 185 I C 1.046 176.965 176.117 -0.329 0.000 1.124 185 I CA 0.958 62.059 61.300 -0.332 0.000 1.444 185 I CB -0.985 36.769 38.000 -0.411 0.000 1.098 185 I HN 0.609 nan 8.210 nan 0.000 0.428 186 T N -3.788 110.436 114.554 -0.550 0.000 2.907 186 T HA 0.449 4.796 4.350 -0.006 0.000 0.292 186 T C -0.788 173.630 174.700 -0.469 0.000 1.043 186 T CA -0.516 61.356 62.100 -0.380 0.000 1.003 186 T CB 1.978 70.590 68.868 -0.426 0.000 1.084 186 T HN 0.185 nan 8.240 nan 0.000 0.483 187 W N 0.575 121.754 121.300 -0.202 0.000 2.252 187 W HA 0.278 4.934 4.660 -0.006 0.000 0.338 187 W C 1.531 177.988 176.519 -0.104 0.000 0.914 187 W CA -0.323 56.942 57.345 -0.135 0.000 1.754 187 W CB 0.441 29.847 29.460 -0.090 0.000 1.135 187 W HN 0.957 nan 8.180 nan 0.000 0.531 188 T N -3.483 111.094 114.554 0.037 0.000 3.044 188 T HA 0.291 4.637 4.350 -0.006 0.000 0.260 188 T C 1.154 175.836 174.700 -0.030 0.000 1.019 188 T CA 0.080 62.190 62.100 0.017 0.000 0.921 188 T CB 0.090 68.966 68.868 0.013 0.000 1.053 188 T HN -0.001 nan 8.240 nan 0.000 0.533 189 G N 1.532 110.283 108.800 -0.082 0.000 2.254 189 G HA2 0.368 4.324 3.960 -0.006 0.000 0.253 189 G HA3 0.368 4.324 3.960 -0.006 0.000 0.253 189 G C -0.626 174.198 174.900 -0.127 0.000 1.246 189 G CA -0.278 44.748 45.100 -0.123 0.000 0.946 189 G HN 0.508 nan 8.290 nan 0.000 0.474 190 K N 2.330 122.639 120.400 -0.153 0.000 2.565 190 K HA 0.186 4.502 4.320 -0.006 0.000 0.249 190 K C -0.154 176.321 176.600 -0.207 0.000 0.958 190 K CA -0.669 55.533 56.287 -0.141 0.000 0.806 190 K CB 1.792 34.246 32.500 -0.076 0.000 1.194 190 K HN 0.599 nan 8.250 nan 0.000 0.434 191 E N 2.761 122.849 120.200 -0.186 0.000 2.652 191 E HA -0.145 4.201 4.350 -0.006 0.000 0.255 191 E C -0.548 175.969 176.600 -0.138 0.000 0.952 191 E CA 0.948 57.237 56.400 -0.184 0.000 0.947 191 E CB 0.249 29.877 29.700 -0.120 0.000 0.912 191 E HN 0.595 nan 8.360 nan 0.000 0.489 192 D N 2.311 122.622 120.400 -0.148 0.000 3.077 192 D HA -0.245 4.392 4.640 -0.006 0.000 0.217 192 D C 0.425 176.785 176.300 0.101 0.000 1.162 192 D CA 1.534 55.574 54.000 0.067 0.000 0.943 192 D CB -0.959 39.905 40.800 0.105 0.000 1.122 192 D HN 0.491 nan 8.370 nan 0.000 0.413 193 I N -1.315 119.230 120.570 -0.043 0.000 3.746 193 I HA 0.087 4.253 4.170 -0.006 0.000 0.262 193 I C 0.465 176.648 176.117 0.110 0.000 1.153 193 I CA -0.043 61.302 61.300 0.075 0.000 1.395 193 I CB 0.622 38.643 38.000 0.035 0.000 1.589 193 I HN -0.169 nan 8.210 nan 0.000 0.441 194 I N 1.256 121.789 120.570 -0.063 0.000 2.406 194 I HA 0.302 4.468 4.170 -0.006 0.000 0.290 194 I C -1.505 174.546 176.117 -0.110 0.000 0.999 194 I CA -0.435 60.887 61.300 0.036 0.000 1.124 194 I CB 1.130 39.146 38.000 0.027 0.000 1.289 194 I HN 0.056 nan 8.210 nan 0.000 0.441 195 Y N 4.492 124.878 120.300 0.143 0.000 2.332 195 Y HA 0.386 4.933 4.550 -0.006 0.000 0.326 195 Y C 0.174 176.139 175.900 0.108 0.000 0.978 195 Y CA -0.771 57.418 58.100 0.148 0.000 1.205 195 Y CB 1.255 39.889 38.460 0.289 0.000 1.131 195 Y HN 0.419 nan 8.280 nan 0.000 0.462 196 N N 2.200 120.956 118.700 0.094 0.000 2.424 196 N HA 0.367 5.103 4.740 -0.006 0.000 0.271 196 N C 0.826 176.266 175.510 -0.118 0.000 0.985 196 N CA 0.391 53.423 53.050 -0.030 0.000 0.921 196 N CB 1.924 40.285 38.487 -0.210 0.000 1.149 196 N HN 0.979 nan 8.380 nan 0.000 0.492 197 G N 1.542 110.289 108.800 -0.088 0.000 2.179 197 G HA2 -0.256 3.700 3.960 -0.006 0.000 0.260 197 G HA3 -0.256 3.700 3.960 -0.006 0.000 0.260 197 G C 0.086 174.835 174.900 -0.252 0.000 0.977 197 G CA 0.731 45.707 45.100 -0.206 0.000 0.641 197 G HN 0.675 nan 8.290 nan 0.000 0.533 198 I N -1.914 118.584 120.570 -0.121 0.000 2.865 198 I HA 0.801 4.967 4.170 -0.006 0.000 0.302 198 I C 0.334 176.485 176.117 0.057 0.000 1.140 198 I CA -0.677 60.469 61.300 -0.255 0.000 1.021 198 I CB 1.968 39.625 38.000 -0.571 0.000 1.233 198 I HN 0.178 nan 8.210 nan 0.000 0.427 199 T N -0.309 114.202 114.554 -0.072 0.000 2.849 199 T HA 0.341 4.687 4.350 -0.006 0.000 0.284 199 T C -0.183 174.272 174.700 -0.409 0.000 1.004 199 T CA -0.605 61.281 62.100 -0.358 0.000 1.021 199 T CB 1.186 69.965 68.868 -0.149 0.000 1.013 199 T HN 0.793 nan 8.240 nan 0.000 0.527 200 D N 0.060 119.952 120.400 -0.846 0.000 2.466 200 D HA 0.030 4.666 4.640 -0.006 0.000 0.262 200 D C 0.904 177.124 176.300 -0.134 0.000 1.177 200 D CA -1.092 52.495 54.000 -0.689 0.000 1.035 200 D CB 0.426 40.715 40.800 -0.852 0.000 1.105 200 D HN 0.719 nan 8.370 nan 0.000 0.551 201 W N 0.671 121.923 121.300 -0.081 0.000 2.302 201 W HA -0.248 4.408 4.660 -0.006 0.000 0.320 201 W C 2.107 178.536 176.519 -0.150 0.000 1.241 201 W CA 2.364 59.666 57.345 -0.072 0.000 1.264 201 W CB -0.395 28.975 29.460 -0.150 0.000 1.154 201 W HN 0.225 nan 8.180 nan 0.000 0.483 202 V N -0.362 119.637 119.914 0.142 0.000 2.667 202 V HA -0.253 3.864 4.120 -0.006 0.000 0.252 202 V C 1.720 177.677 176.094 -0.228 0.000 1.065 202 V CA 1.769 64.053 62.300 -0.026 0.000 1.083 202 V CB -0.658 31.147 31.823 -0.030 0.000 0.692 202 V HN 0.288 nan 8.190 nan 0.000 0.468 203 Y N 0.523 120.678 120.300 -0.243 0.000 2.314 203 Y HA -0.114 4.432 4.550 -0.006 0.000 0.293 203 Y C 2.548 178.366 175.900 -0.136 0.000 1.129 203 Y CA 1.971 59.942 58.100 -0.214 0.000 1.201 203 Y CB 0.040 38.269 38.460 -0.385 0.000 0.999 203 Y HN 0.363 nan 8.280 nan 0.000 0.541 204 E N 0.344 120.512 120.200 -0.053 0.000 2.028 204 E HA -0.272 4.075 4.350 -0.006 0.000 0.191 204 E C 1.915 178.447 176.600 -0.112 0.000 0.988 204 E CA 1.505 57.883 56.400 -0.037 0.000 0.799 204 E CB 0.026 29.694 29.700 -0.054 0.000 0.755 204 E HN 0.364 nan 8.360 nan 0.000 0.447 205 E N -0.120 119.828 120.200 -0.419 0.000 2.230 205 E HA -0.114 4.232 4.350 -0.006 0.000 0.192 205 E C 1.343 177.811 176.600 -0.219 0.000 0.987 205 E CA 1.094 57.237 56.400 -0.428 0.000 0.841 205 E CB 0.333 29.426 29.700 -1.012 0.000 0.783 205 E HN 0.202 nan 8.360 nan 0.000 0.481 206 E N -1.181 118.880 120.200 -0.232 0.000 2.508 206 E HA 0.134 4.480 4.350 -0.006 0.000 0.217 206 E C 1.413 177.878 176.600 -0.224 0.000 0.896 206 E CA 0.346 56.651 56.400 -0.159 0.000 1.118 206 E CB 1.151 30.754 29.700 -0.161 0.000 1.133 206 E HN 0.159 nan 8.360 nan 0.000 0.526 207 V N -0.440 119.287 119.914 -0.312 0.000 2.840 207 V HA 0.087 4.203 4.120 -0.006 0.000 0.234 207 V C 1.348 177.189 176.094 -0.422 0.000 1.159 207 V CA 0.696 62.709 62.300 -0.478 0.000 1.194 207 V CB -0.187 31.165 31.823 -0.786 0.000 0.971 207 V HN 0.009 nan 8.190 nan 0.000 0.494 208 F N 0.918 120.884 119.950 0.026 0.000 2.749 208 F HA 0.261 4.784 4.527 -0.007 0.000 0.300 208 F C 1.516 177.283 175.800 -0.056 0.000 1.103 208 F CA 0.212 58.243 58.000 0.051 0.000 1.342 208 F CB -0.347 38.736 39.000 0.137 0.000 1.098 208 F HN 0.101 nan 8.300 nan 0.000 0.586 209 S N 0.426 116.142 115.700 0.028 0.000 3.549 209 S HA 0.002 4.468 4.470 -0.006 0.000 0.366 209 S C 0.118 174.357 174.600 -0.602 0.000 1.012 209 S CA 0.377 58.480 58.200 -0.161 0.000 1.141 209 S CB -2.073 61.076 63.200 -0.086 0.000 0.910 209 S HN 0.706 nan 8.310 nan 0.000 0.471 210 A N -0.744 121.902 122.820 -0.290 0.000 2.597 210 A HA 0.667 4.983 4.320 -0.006 0.000 0.292 210 A C -0.281 177.271 177.584 -0.052 0.000 1.057 210 A CA -0.428 51.442 52.037 -0.278 0.000 0.674 210 A CB 0.157 19.006 19.000 -0.251 0.000 1.278 210 A HN 0.328 nan 8.150 nan 0.000 0.416 211 Y N 1.294 121.427 120.300 -0.277 0.000 2.365 211 Y HA 0.036 4.582 4.550 -0.007 0.000 0.293 211 Y C 1.561 177.199 175.900 -0.437 0.000 1.119 211 Y CA 1.073 59.010 58.100 -0.272 0.000 1.203 211 Y CB 0.248 38.561 38.460 -0.245 0.000 1.026 211 Y HN 0.794 nan 8.280 nan 0.000 0.549 212 S N 0.433 115.661 115.700 -0.787 0.000 2.584 212 S HA 0.539 5.006 4.470 -0.006 0.000 0.273 212 S C -0.015 174.083 174.600 -0.837 0.000 1.311 212 S CA -0.280 57.287 58.200 -1.055 0.000 1.034 212 S CB 1.722 63.843 63.200 -1.799 0.000 0.939 212 S HN 0.332 nan 8.310 nan 0.000 0.513 213 A N 2.948 125.287 122.820 -0.801 0.000 2.959 213 A HA 0.570 4.886 4.320 -0.006 0.000 0.280 213 A C -0.474 176.437 177.584 -1.123 0.000 0.953 213 A CA -0.579 50.865 52.037 -0.989 0.000 1.047 213 A CB -0.208 18.651 19.000 -0.235 0.000 1.147 213 A HN 0.786 nan 8.150 nan 0.000 0.489 214 L N 0.846 121.308 121.223 -1.269 0.000 2.376 214 L HA 0.537 4.874 4.340 -0.006 0.000 0.275 214 L C -1.182 175.228 176.870 -0.767 0.000 0.987 214 L CA -0.457 53.937 54.840 -0.743 0.000 0.828 214 L CB 1.662 43.474 42.059 -0.412 0.000 1.249 214 L HN 0.479 nan 8.230 nan 0.000 0.409 215 W N 2.764 124.074 121.300 0.017 0.000 2.499 215 W HA 0.261 4.918 4.660 -0.006 0.000 0.320 215 W C -0.857 175.848 176.519 0.310 0.000 1.010 215 W CA -1.106 56.373 57.345 0.224 0.000 1.267 215 W CB 1.425 31.081 29.460 0.326 0.000 1.316 215 W HN 0.475 nan 8.180 nan 0.000 0.431 216 W N 2.220 123.732 121.300 0.353 0.000 2.150 216 W HA 0.216 4.872 4.660 -0.007 0.000 0.341 216 W C 1.261 177.589 176.519 -0.318 0.000 1.276 216 W CA 0.190 57.599 57.345 0.107 0.000 1.238 216 W CB 0.793 30.289 29.460 0.060 0.000 1.128 216 W HN 0.194 nan 8.180 nan 0.000 0.581 217 S N 2.173 117.579 115.700 -0.490 0.000 2.603 217 S HA 0.206 4.672 4.470 -0.006 0.000 0.268 217 S C -1.788 172.567 174.600 -0.408 0.000 1.317 217 S CA -1.059 56.353 58.200 -1.313 0.000 1.012 217 S CB 1.228 63.658 63.200 -1.282 0.000 0.926 217 S HN 0.264 nan 8.310 nan 0.000 0.539 218 P HA -0.171 nan 4.420 nan 0.000 0.216 218 P C 0.934 178.201 177.300 -0.055 0.000 1.157 218 P CA 1.636 64.701 63.100 -0.059 0.000 0.880 218 P CB -0.244 31.464 31.700 0.013 0.000 0.791 219 N N -1.341 117.317 118.700 -0.070 0.000 2.322 219 N HA 0.093 4.830 4.740 -0.006 0.000 0.194 219 N C 0.895 176.335 175.510 -0.115 0.000 1.126 219 N CA 0.555 53.562 53.050 -0.073 0.000 0.845 219 N CB -1.110 37.349 38.487 -0.046 0.000 0.976 219 N HN 0.147 nan 8.380 nan 0.000 0.475 220 G N -0.823 107.908 108.800 -0.115 0.000 2.246 220 G HA2 -0.295 3.661 3.960 -0.006 0.000 0.273 220 G HA3 -0.295 3.661 3.960 -0.006 0.000 0.273 220 G C 0.570 175.460 174.900 -0.016 0.000 1.055 220 G CA 0.796 45.821 45.100 -0.124 0.000 0.851 220 G HN 0.404 nan 8.290 nan 0.000 0.500 221 T N -0.554 113.976 114.554 -0.041 0.000 2.925 221 T HA 0.329 4.675 4.350 -0.006 0.000 0.245 221 T C 0.897 175.474 174.700 -0.205 0.000 1.025 221 T CA 0.828 62.810 62.100 -0.197 0.000 1.149 221 T CB 0.062 68.694 68.868 -0.393 0.000 0.866 221 T HN 0.262 nan 8.240 nan 0.000 0.437 222 F N 0.944 120.930 119.950 0.059 0.000 2.379 222 F HA 0.611 5.134 4.527 -0.006 0.000 0.332 222 F C -0.186 175.702 175.800 0.147 0.000 1.096 222 F CA -1.391 56.688 58.000 0.131 0.000 1.105 222 F CB 0.813 39.963 39.000 0.250 0.000 1.189 222 F HN -0.043 nan 8.300 nan 0.000 0.515 223 L N 2.711 124.094 121.223 0.267 0.000 2.319 223 L HA 0.772 5.108 4.340 -0.006 0.000 0.281 223 L C -0.597 176.378 176.870 0.174 0.000 1.005 223 L CA -0.416 54.408 54.840 -0.027 0.000 0.828 223 L CB 0.871 42.651 42.059 -0.466 0.000 1.227 223 L HN 0.680 nan 8.230 nan 0.000 0.415 224 A N 4.792 127.783 122.820 0.284 0.000 2.306 224 A HA 0.746 5.063 4.320 -0.006 0.000 0.314 224 A C -1.380 176.252 177.584 0.081 0.000 1.164 224 A CA -0.278 51.817 52.037 0.096 0.000 0.822 224 A CB 0.517 19.663 19.000 0.244 0.000 1.130 224 A HN 0.841 nan 8.150 nan 0.000 0.496 225 Y N -1.202 118.860 120.300 -0.396 0.000 2.625 225 Y HA 0.772 5.318 4.550 -0.006 0.000 0.338 225 Y C -0.380 175.299 175.900 -0.368 0.000 1.123 225 Y CA -1.036 56.905 58.100 -0.265 0.000 1.046 225 Y CB 1.020 39.325 38.460 -0.258 0.000 1.299 225 Y HN 0.898 nan 8.280 nan 0.000 0.464 226 A N 2.299 125.150 122.820 0.052 0.000 2.324 226 A HA 0.626 4.943 4.320 -0.006 0.000 0.330 226 A C -1.137 176.366 177.584 -0.134 0.000 1.165 226 A CA -0.818 51.146 52.037 -0.122 0.000 0.813 226 A CB 1.506 20.392 19.000 -0.191 0.000 1.197 226 A HN 0.837 nan 8.150 nan 0.000 0.484 227 Q N 1.855 121.554 119.800 -0.167 0.000 2.331 227 Q HA 0.628 4.964 4.340 -0.006 0.000 0.267 227 Q C -1.956 173.871 176.000 -0.290 0.000 1.006 227 Q CA -0.368 55.399 55.803 -0.060 0.000 0.818 227 Q CB 0.839 29.717 28.738 0.233 0.000 1.276 227 Q HN 0.570 nan 8.270 nan 0.000 0.450 228 F N 2.333 122.384 119.950 0.169 0.000 2.450 228 F HA 0.430 4.953 4.527 -0.007 0.000 0.332 228 F C 0.368 176.315 175.800 0.246 0.000 1.093 228 F CA -0.928 57.148 58.000 0.128 0.000 1.003 228 F CB 1.441 40.420 39.000 -0.034 0.000 1.151 228 F HN 0.508 nan 8.300 nan 0.000 0.474 229 N N 1.635 120.557 118.700 0.371 0.000 2.483 229 N HA 0.224 4.961 4.740 -0.006 0.000 0.267 229 N C -0.886 174.790 175.510 0.277 0.000 0.998 229 N CA -0.349 52.875 53.050 0.291 0.000 0.918 229 N CB 0.975 39.579 38.487 0.195 0.000 1.215 229 N HN 0.503 nan 8.380 nan 0.000 0.500 230 D N 1.469 122.053 120.400 0.307 0.000 2.388 230 D HA 0.118 4.754 4.640 -0.006 0.000 0.221 230 D C 1.163 177.574 176.300 0.186 0.000 1.133 230 D CA 0.194 54.352 54.000 0.264 0.000 0.831 230 D CB 0.467 41.481 40.800 0.357 0.000 0.962 230 D HN 0.483 nan 8.370 nan 0.000 0.502 231 T N 0.569 115.214 114.554 0.152 0.000 2.653 231 T HA -0.209 4.137 4.350 -0.006 0.000 0.268 231 T C 1.332 176.086 174.700 0.091 0.000 1.035 231 T CA 1.350 63.514 62.100 0.108 0.000 1.154 231 T CB -0.048 68.873 68.868 0.088 0.000 0.862 231 T HN 0.345 nan 8.240 nan 0.000 0.441 232 E N 0.462 120.715 120.200 0.090 0.000 2.476 232 E HA 0.173 4.519 4.350 -0.006 0.000 0.196 232 E C -0.375 176.273 176.600 0.080 0.000 1.029 232 E CA -0.227 56.217 56.400 0.073 0.000 0.896 232 E CB 0.465 30.201 29.700 0.059 0.000 1.012 232 E HN 0.211 nan 8.360 nan 0.000 0.475 233 V N 4.175 124.152 119.914 0.103 0.000 2.421 233 V HA 0.062 4.178 4.120 -0.006 0.000 0.271 233 V C -2.007 174.147 176.094 0.100 0.000 1.031 233 V CA -1.339 61.028 62.300 0.111 0.000 1.032 233 V CB -0.222 31.686 31.823 0.142 0.000 1.009 233 V HN 0.030 nan 8.190 nan 0.000 0.477 234 P HA 0.136 nan 4.420 nan 0.000 0.268 234 P C -0.532 176.810 177.300 0.070 0.000 1.208 234 P CA -0.020 63.120 63.100 0.067 0.000 0.777 234 P CB 0.486 32.224 31.700 0.063 0.000 0.875 235 L N 2.222 123.465 121.223 0.033 0.000 2.309 235 L HA 0.447 4.783 4.340 -0.006 0.000 0.282 235 L C 0.470 177.303 176.870 -0.062 0.000 1.036 235 L CA -1.038 53.807 54.840 0.008 0.000 0.806 235 L CB 1.027 43.084 42.059 -0.003 0.000 1.220 235 L HN 0.295 nan 8.230 nan 0.000 0.429 236 I N 2.341 122.831 120.570 -0.134 0.000 2.474 236 I HA 0.188 4.354 4.170 -0.006 0.000 0.287 236 I C -0.238 175.751 176.117 -0.213 0.000 1.048 236 I CA 0.416 61.536 61.300 -0.299 0.000 1.383 236 I CB 0.664 38.226 38.000 -0.731 0.000 1.412 236 I HN 0.570 nan 8.210 nan 0.000 0.531 237 E N 7.301 127.391 120.200 -0.183 0.000 2.199 237 E HA 0.515 4.862 4.350 -0.006 0.000 0.269 237 E C -1.743 174.811 176.600 -0.077 0.000 0.899 237 E CA -0.612 55.692 56.400 -0.161 0.000 0.772 237 E CB 2.015 31.640 29.700 -0.126 0.000 1.155 237 E HN 0.581 nan 8.360 nan 0.000 0.408 238 Y N -1.886 118.321 120.300 -0.155 0.000 2.609 238 Y HA 0.485 5.031 4.550 -0.006 0.000 0.336 238 Y C -0.951 174.865 175.900 -0.140 0.000 1.129 238 Y CA -1.257 56.754 58.100 -0.150 0.000 1.040 238 Y CB 0.872 39.242 38.460 -0.149 0.000 1.310 238 Y HN 0.206 nan 8.280 nan 0.000 0.460 239 S N 2.589 118.270 115.700 -0.032 0.000 2.499 239 S HA 0.359 4.826 4.470 -0.006 0.000 0.275 239 S C -1.213 173.181 174.600 -0.343 0.000 1.257 239 S CA -0.369 57.648 58.200 -0.306 0.000 1.050 239 S CB -0.115 62.758 63.200 -0.546 0.000 0.937 239 S HN 0.530 nan 8.310 nan 0.000 0.490 240 F N 3.385 123.091 119.950 -0.408 0.000 2.411 240 F HA 0.374 4.897 4.527 -0.006 0.000 0.352 240 F C 0.181 175.767 175.800 -0.357 0.000 1.123 240 F CA -0.712 57.120 58.000 -0.279 0.000 1.044 240 F CB 0.603 39.552 39.000 -0.084 0.000 1.135 240 F HN 0.678 nan 8.300 nan 0.000 0.461 241 Y N 2.788 122.846 120.300 -0.404 0.000 2.420 241 Y HA 0.023 4.569 4.550 -0.006 0.000 0.292 241 Y C 1.802 177.600 175.900 -0.169 0.000 1.119 241 Y CA 1.031 58.987 58.100 -0.239 0.000 1.229 241 Y CB -0.581 37.738 38.460 -0.236 0.000 1.026 241 Y HN 0.759 nan 8.280 nan 0.000 0.554 242 S N -0.090 115.480 115.700 -0.216 0.000 3.109 242 S HA -0.295 4.171 4.470 -0.006 0.000 0.632 242 S C -0.300 174.340 174.600 0.068 0.000 2.927 242 S CA 0.477 58.738 58.200 0.101 0.000 3.233 242 S CB -1.198 62.180 63.200 0.297 0.000 0.325 242 S HN 0.507 nan 8.310 nan 0.000 1.720 243 D N 1.412 121.876 120.400 0.107 0.000 2.419 243 D HA 0.221 4.857 4.640 -0.006 0.000 0.236 243 D C 1.351 177.679 176.300 0.046 0.000 1.165 243 D CA 0.785 54.827 54.000 0.070 0.000 0.882 243 D CB 0.250 41.093 40.800 0.072 0.000 1.201 243 D HN 0.553 nan 8.370 nan 0.000 0.443 244 E N 0.460 120.676 120.200 0.027 0.000 2.233 244 E HA -0.266 4.080 4.350 -0.006 0.000 0.199 244 E C 1.354 177.962 176.600 0.013 0.000 1.004 244 E CA 1.380 57.786 56.400 0.010 0.000 0.819 244 E CB 0.123 29.825 29.700 0.003 0.000 0.738 244 E HN 0.491 nan 8.360 nan 0.000 0.478 245 S N -0.033 115.682 115.700 0.025 0.000 2.461 245 S HA -0.034 4.432 4.470 -0.006 0.000 0.228 245 S C 1.129 175.750 174.600 0.035 0.000 1.005 245 S CA -0.082 58.134 58.200 0.026 0.000 0.942 245 S CB -0.104 63.114 63.200 0.031 0.000 0.776 245 S HN 0.238 nan 8.310 nan 0.000 0.514 246 L N 2.610 123.863 121.223 0.050 0.000 2.530 246 L HA 0.115 4.451 4.340 -0.006 0.000 0.273 246 L C 1.606 178.501 176.870 0.042 0.000 1.141 246 L CA 0.096 54.975 54.840 0.066 0.000 0.905 246 L CB 0.837 42.953 42.059 0.094 0.000 1.202 246 L HN 0.463 nan 8.230 nan 0.000 0.473 247 Q N 4.117 123.941 119.800 0.041 0.000 2.083 247 Q HA -0.081 4.255 4.340 -0.006 0.000 0.198 247 Q C -0.540 175.354 176.000 -0.177 0.000 0.969 247 Q CA 1.175 56.944 55.803 -0.056 0.000 0.838 247 Q CB 0.245 28.969 28.738 -0.024 0.000 0.900 247 Q HN 0.589 nan 8.270 nan 0.000 0.436 248 Y N 0.745 121.058 120.300 0.021 0.000 2.352 248 Y HA 0.378 4.924 4.550 -0.006 0.000 0.339 248 Y C -2.054 173.858 175.900 0.020 0.000 0.992 248 Y CA -2.867 55.243 58.100 0.017 0.000 1.100 248 Y CB 1.349 39.811 38.460 0.004 0.000 1.192 248 Y HN 0.146 nan 8.280 nan 0.000 0.458 249 P HA 0.055 nan 4.420 nan 0.000 0.269 249 P C -0.817 176.502 177.300 0.032 0.000 1.209 249 P CA -0.482 62.652 63.100 0.057 0.000 0.776 249 P CB 0.708 32.413 31.700 0.007 0.000 0.876 250 K N 1.226 121.631 120.400 0.007 0.000 2.118 250 K HA 0.377 4.693 4.320 -0.006 0.000 0.267 250 K C -0.664 175.896 176.600 -0.067 0.000 0.991 250 K CA -0.336 55.954 56.287 0.004 0.000 0.916 250 K CB 0.516 33.055 32.500 0.064 0.000 1.041 250 K HN 0.340 nan 8.250 nan 0.000 0.455 251 T N 2.989 117.488 114.554 -0.091 0.000 2.756 251 T HA 0.235 4.582 4.350 -0.006 0.000 0.290 251 T C -0.603 173.973 174.700 -0.207 0.000 0.985 251 T CA -0.689 61.319 62.100 -0.152 0.000 0.955 251 T CB 1.052 69.847 68.868 -0.123 0.000 0.930 251 T HN 0.273 nan 8.240 nan 0.000 0.451 252 V N 5.117 124.809 119.914 -0.369 0.000 2.583 252 V HA 0.405 4.522 4.120 -0.006 0.000 0.287 252 V C 0.472 176.321 176.094 -0.409 0.000 1.051 252 V CA -0.434 61.592 62.300 -0.457 0.000 1.010 252 V CB 0.684 32.021 31.823 -0.810 0.000 0.988 252 V HN 0.719 nan 8.190 nan 0.000 0.478 253 R N 3.278 123.652 120.500 -0.210 0.000 2.451 253 R HA 0.731 5.067 4.340 -0.006 0.000 0.307 253 R C -1.685 174.608 176.300 -0.013 0.000 0.965 253 R CA -0.489 55.540 56.100 -0.120 0.000 0.865 253 R CB 2.183 32.438 30.300 -0.075 0.000 1.174 253 R HN 0.531 nan 8.270 nan 0.000 0.455 254 V N 4.210 124.126 119.914 0.005 0.000 2.577 254 V HA 0.367 4.483 4.120 -0.006 0.000 0.303 254 V C -2.397 173.758 176.094 0.101 0.000 1.042 254 V CA -2.414 59.956 62.300 0.118 0.000 0.872 254 V CB 2.284 34.177 31.823 0.116 0.000 0.998 254 V HN 0.611 nan 8.190 nan 0.000 0.423 255 P HA 0.205 nan 4.420 nan 0.000 0.267 255 P C -1.321 176.096 177.300 0.195 0.000 1.209 255 P CA 0.328 63.536 63.100 0.179 0.000 0.763 255 P CB -0.066 31.772 31.700 0.230 0.000 0.816 256 Y N 5.287 125.579 120.300 -0.012 0.000 2.287 256 Y HA 0.354 4.901 4.550 -0.006 0.000 0.321 256 Y C -2.820 173.065 175.900 -0.025 0.000 1.173 256 Y CA -2.553 55.496 58.100 -0.085 0.000 1.124 256 Y CB 2.048 40.346 38.460 -0.271 0.000 1.201 256 Y HN 0.287 nan 8.280 nan 0.000 0.421 257 P HA 0.275 nan 4.420 nan 0.000 0.291 257 P C -1.153 176.224 177.300 0.128 0.000 1.340 257 P CA -0.242 62.917 63.100 0.098 0.000 0.799 257 P CB 1.282 33.016 31.700 0.056 0.000 0.917 258 K N 1.925 122.491 120.400 0.277 0.000 2.120 258 K HA 0.488 4.804 4.320 -0.006 0.000 0.245 258 K C 0.573 177.287 176.600 0.190 0.000 1.024 258 K CA -0.695 55.761 56.287 0.282 0.000 0.906 258 K CB 0.481 33.151 32.500 0.284 0.000 1.051 258 K HN 0.435 nan 8.250 nan 0.000 0.491 259 A N 0.968 123.923 122.820 0.225 0.000 2.563 259 A HA 0.255 4.571 4.320 -0.006 0.000 0.256 259 A C 1.204 178.839 177.584 0.086 0.000 1.056 259 A CA 1.000 53.157 52.037 0.200 0.000 0.775 259 A CB -1.329 17.881 19.000 0.349 0.000 0.973 259 A HN 0.913 nan 8.150 nan 0.000 0.516 260 G N 0.991 109.830 108.800 0.065 0.000 2.176 260 G HA2 0.122 4.078 3.960 -0.006 0.000 0.253 260 G HA3 0.122 4.078 3.960 -0.006 0.000 0.253 260 G C 0.637 175.554 174.900 0.028 0.000 0.979 260 G CA 0.634 45.743 45.100 0.015 0.000 0.641 260 G HN 2.172 nan 8.290 nan 0.000 0.530 261 A N -0.307 122.547 122.820 0.058 0.000 2.296 261 A HA 0.729 5.045 4.320 -0.006 0.000 0.264 261 A C 0.923 178.541 177.584 0.056 0.000 1.097 261 A CA 0.299 52.373 52.037 0.061 0.000 0.811 261 A CB 0.669 19.722 19.000 0.088 0.000 1.072 261 A HN 1.203 nan 8.150 nan 0.000 0.495 262 V N 2.603 122.550 119.914 0.054 0.000 2.540 262 V HA -0.007 4.109 4.120 -0.006 0.000 0.297 262 V C 0.374 176.510 176.094 0.071 0.000 1.024 262 V CA 0.009 62.340 62.300 0.051 0.000 1.105 262 V CB -0.420 31.433 31.823 0.051 0.000 0.938 262 V HN 0.801 nan 8.190 nan 0.000 0.482 263 N N 6.203 124.941 118.700 0.064 0.000 2.495 263 N HA 0.422 5.158 4.740 -0.006 0.000 0.280 263 N C -2.442 173.142 175.510 0.125 0.000 1.168 263 N CA -1.606 51.504 53.050 0.099 0.000 0.978 263 N CB 0.860 39.394 38.487 0.079 0.000 1.191 263 N HN 0.390 nan 8.380 nan 0.000 0.497 264 P HA 0.023 nan 4.420 nan 0.000 0.268 264 P C -0.153 177.287 177.300 0.235 0.000 1.204 264 P CA -0.022 63.226 63.100 0.247 0.000 0.768 264 P CB 0.069 31.969 31.700 0.334 0.000 0.842 265 T N -0.256 114.406 114.554 0.179 0.000 2.881 265 T HA 0.546 4.892 4.350 -0.006 0.000 0.278 265 T C -0.134 174.675 174.700 0.182 0.000 0.982 265 T CA -0.756 61.410 62.100 0.110 0.000 0.989 265 T CB 1.373 70.274 68.868 0.055 0.000 1.058 265 T HN 0.318 nan 8.240 nan 0.000 0.529 266 V N 0.397 120.394 119.914 0.138 0.000 2.851 266 V HA 0.656 4.772 4.120 -0.006 0.000 0.307 266 V C -1.475 174.702 176.094 0.138 0.000 1.129 266 V CA -0.841 61.522 62.300 0.105 0.000 0.932 266 V CB 2.098 34.021 31.823 0.167 0.000 1.024 266 V HN 1.060 nan 8.190 nan 0.000 0.426 267 K N 4.586 125.006 120.400 0.034 0.000 2.340 267 K HA 0.629 4.946 4.320 -0.006 0.000 0.244 267 K C -1.850 174.695 176.600 -0.092 0.000 0.973 267 K CA -0.583 55.693 56.287 -0.019 0.000 0.828 267 K CB 2.810 35.272 32.500 -0.063 0.000 1.226 267 K HN 0.545 nan 8.250 nan 0.000 0.437 268 F N 1.904 121.587 119.950 -0.446 0.000 2.529 268 F HA 0.531 5.055 4.527 -0.006 0.000 0.320 268 F C -1.442 173.831 175.800 -0.878 0.000 1.118 268 F CA -0.637 57.070 58.000 -0.488 0.000 0.915 268 F CB 0.875 39.721 39.000 -0.257 0.000 1.161 268 F HN 0.368 nan 8.300 nan 0.000 0.445 269 F N 3.929 123.222 119.950 -1.095 0.000 2.603 269 F HA 0.781 5.305 4.527 -0.006 0.000 0.317 269 F C -0.957 174.234 175.800 -1.015 0.000 1.066 269 F CA -1.195 56.236 58.000 -0.948 0.000 0.941 269 F CB 2.176 40.493 39.000 -1.138 0.000 1.291 269 F HN 0.097 nan 8.300 nan 0.000 0.472 270 V N 2.527 122.254 119.914 -0.312 0.000 2.569 270 V HA 0.508 4.625 4.120 -0.006 0.000 0.301 270 V C -1.129 175.073 176.094 0.180 0.000 1.044 270 V CA -0.782 61.429 62.300 -0.148 0.000 0.874 270 V CB 1.806 33.388 31.823 -0.401 0.000 1.002 270 V HN 0.596 nan 8.190 nan 0.000 0.424 271 V N 4.059 124.135 119.914 0.270 0.000 2.581 271 V HA 0.559 4.675 4.120 -0.006 0.000 0.303 271 V C -0.182 176.125 176.094 0.354 0.000 1.041 271 V CA -0.592 61.888 62.300 0.299 0.000 0.907 271 V CB 2.111 34.058 31.823 0.207 0.000 0.994 271 V HN 0.935 nan 8.190 nan 0.000 0.442 272 N N 3.192 122.068 118.700 0.293 0.000 2.411 272 N HA 0.117 4.854 4.740 -0.006 0.000 0.259 272 N C 1.013 176.513 175.510 -0.017 0.000 1.103 272 N CA 0.633 53.724 53.050 0.070 0.000 0.954 272 N CB 1.762 40.264 38.487 0.024 0.000 1.085 272 N HN 0.893 nan 8.380 nan 0.000 0.485 273 T N -0.159 114.370 114.554 -0.042 0.000 3.067 273 T HA 0.029 4.375 4.350 -0.006 0.000 0.257 273 T C 0.889 175.542 174.700 -0.078 0.000 1.105 273 T CA 0.552 62.642 62.100 -0.018 0.000 1.104 273 T CB 0.170 69.121 68.868 0.139 0.000 0.925 273 T HN 0.257 nan 8.240 nan 0.000 0.498 274 D N 2.514 122.841 120.400 -0.122 0.000 2.149 274 D HA -0.022 4.614 4.640 -0.006 0.000 0.201 274 D C 1.546 177.785 176.300 -0.102 0.000 0.972 274 D CA 1.342 55.274 54.000 -0.114 0.000 0.835 274 D CB -0.169 40.545 40.800 -0.144 0.000 0.966 274 D HN 0.640 nan 8.370 nan 0.000 0.476 275 S N 0.546 116.185 115.700 -0.102 0.000 2.945 275 S HA 0.286 4.752 4.470 -0.006 0.000 0.227 275 S C -0.065 174.471 174.600 -0.107 0.000 1.353 275 S CA -0.691 57.465 58.200 -0.073 0.000 1.236 275 S CB -0.208 62.974 63.200 -0.030 0.000 1.069 275 S HN -0.095 nan 8.310 nan 0.000 0.509 276 L N 2.279 123.380 121.223 -0.204 0.000 2.282 276 L HA 0.612 4.948 4.340 -0.006 0.000 0.288 276 L C 0.052 176.692 176.870 -0.383 0.000 1.033 276 L CA 0.043 54.652 54.840 -0.386 0.000 0.807 276 L CB 1.573 43.212 42.059 -0.700 0.000 1.209 276 L HN 0.489 nan 8.230 nan 0.000 0.423 277 S N 0.840 116.421 115.700 -0.198 0.000 2.501 277 S HA 0.428 4.894 4.470 -0.006 0.000 0.301 277 S C 0.939 175.658 174.600 0.200 0.000 1.096 277 S CA -0.034 58.174 58.200 0.013 0.000 1.063 277 S CB 1.260 64.481 63.200 0.034 0.000 1.042 277 S HN 0.718 nan 8.310 nan 0.000 0.494 278 S N 2.927 118.817 115.700 0.317 0.000 2.501 278 S HA 0.026 4.492 4.470 -0.006 0.000 0.220 278 S C 1.126 175.836 174.600 0.183 0.000 0.997 278 S CA 0.383 58.775 58.200 0.320 0.000 0.919 278 S CB -0.160 63.184 63.200 0.239 0.000 0.778 278 S HN 0.550 nan 8.310 nan 0.000 0.523 279 V N 2.120 122.115 119.914 0.134 0.000 3.649 279 V HA 0.232 4.348 4.120 -0.006 0.000 0.275 279 V C 0.850 176.989 176.094 0.075 0.000 1.281 279 V CA 0.809 63.163 62.300 0.090 0.000 1.143 279 V CB -1.097 30.766 31.823 0.066 0.000 0.892 279 V HN 0.792 nan 8.190 nan 0.000 0.441 280 T N -2.302 112.306 114.554 0.091 0.000 2.916 280 T HA 0.425 4.771 4.350 -0.006 0.000 0.305 280 T C -0.683 174.075 174.700 0.097 0.000 1.119 280 T CA -0.776 61.364 62.100 0.067 0.000 1.008 280 T CB 1.826 70.722 68.868 0.045 0.000 1.129 280 T HN -0.020 nan 8.240 nan 0.000 0.480 281 N N 1.462 120.204 118.700 0.070 0.000 2.483 281 N HA 0.397 5.133 4.740 -0.006 0.000 0.264 281 N C 0.284 175.858 175.510 0.107 0.000 1.197 281 N CA -0.042 53.079 53.050 0.117 0.000 0.927 281 N CB 0.899 39.386 38.487 -0.001 0.000 1.065 281 N HN 0.989 nan 8.380 nan 0.000 0.461 282 A N 2.019 124.921 122.820 0.138 0.000 2.488 282 A HA 0.141 4.457 4.320 -0.006 0.000 0.249 282 A C 0.703 178.337 177.584 0.084 0.000 1.083 282 A CA -0.040 52.046 52.037 0.082 0.000 0.768 282 A CB 0.001 19.031 19.000 0.050 0.000 1.017 282 A HN 0.532 nan 8.150 nan 0.000 0.496 283 T N 2.512 117.116 114.554 0.084 0.000 2.733 283 T HA 0.448 4.794 4.350 -0.006 0.000 0.294 283 T C 0.077 174.859 174.700 0.136 0.000 0.956 283 T CA -0.266 61.893 62.100 0.098 0.000 0.987 283 T CB -0.191 68.735 68.868 0.097 0.000 0.920 283 T HN 0.538 nan 8.240 nan 0.000 0.470 284 S N 5.757 121.534 115.700 0.128 0.000 2.499 284 S HA 0.482 4.948 4.470 -0.006 0.000 0.279 284 S C 0.140 174.906 174.600 0.276 0.000 1.219 284 S CA -0.848 57.461 58.200 0.182 0.000 1.062 284 S CB 0.330 63.582 63.200 0.087 0.000 0.978 284 S HN 0.635 nan 8.310 nan 0.000 0.489 285 I N 3.303 124.052 120.570 0.297 0.000 2.352 285 I HA 0.253 4.419 4.170 -0.006 0.000 0.290 285 I C 0.572 176.805 176.117 0.193 0.000 1.036 285 I CA -0.181 61.295 61.300 0.293 0.000 1.336 285 I CB 0.494 38.749 38.000 0.424 0.000 1.407 285 I HN 0.664 nan 8.210 nan 0.000 0.497 286 Q N 6.268 126.147 119.800 0.131 0.000 2.267 286 Q HA 0.472 4.808 4.340 -0.006 0.000 0.255 286 Q C -0.961 174.966 176.000 -0.120 0.000 0.923 286 Q CA -0.462 55.214 55.803 -0.212 0.000 0.925 286 Q CB 1.147 29.708 28.738 -0.294 0.000 1.195 286 Q HN 0.564 nan 8.270 nan 0.000 0.417 287 I N 4.219 124.699 120.570 -0.149 0.000 2.312 287 I HA 0.199 4.365 4.170 -0.006 0.000 0.290 287 I C 0.584 176.657 176.117 -0.073 0.000 1.008 287 I CA -0.679 60.590 61.300 -0.052 0.000 1.226 287 I CB 1.324 39.312 38.000 -0.020 0.000 1.371 287 I HN 0.663 nan 8.210 nan 0.000 0.468 288 T N 2.997 117.478 114.554 -0.121 0.000 2.828 288 T HA 0.628 4.974 4.350 -0.006 0.000 0.290 288 T C 0.294 174.767 174.700 -0.378 0.000 1.019 288 T CA -0.835 61.133 62.100 -0.220 0.000 1.031 288 T CB 1.466 70.217 68.868 -0.195 0.000 1.001 288 T HN 0.603 nan 8.240 nan 0.000 0.531 289 A N 2.474 124.859 122.820 -0.726 0.000 2.304 289 A HA 0.660 4.976 4.320 -0.006 0.000 0.271 289 A C -2.057 175.077 177.584 -0.750 0.000 1.091 289 A CA -1.853 49.405 52.037 -1.298 0.000 0.812 289 A CB -0.458 17.356 19.000 -1.977 0.000 1.056 289 A HN 0.813 nan 8.150 nan 0.000 0.489 290 P HA 0.169 nan 4.420 nan 0.000 0.272 290 P C 0.829 177.937 177.300 -0.320 0.000 1.223 290 P CA 0.536 63.423 63.100 -0.355 0.000 0.784 290 P CB 0.822 32.382 31.700 -0.234 0.000 0.923 291 A N 2.991 125.684 122.820 -0.211 0.000 1.903 291 A HA -0.255 4.061 4.320 -0.006 0.000 0.219 291 A C 2.228 179.712 177.584 -0.166 0.000 1.191 291 A CA 2.874 54.808 52.037 -0.172 0.000 0.638 291 A CB -1.961 16.968 19.000 -0.118 0.000 0.823 291 A HN 0.686 nan 8.150 nan 0.000 0.451 292 S N -1.210 114.411 115.700 -0.131 0.000 2.465 292 S HA -0.111 4.356 4.470 -0.006 0.000 0.241 292 S C 1.719 176.241 174.600 -0.130 0.000 1.000 292 S CA 1.630 59.766 58.200 -0.106 0.000 0.964 292 S CB -0.336 62.859 63.200 -0.007 0.000 0.763 292 S HN 0.477 nan 8.310 nan 0.000 0.512 293 M N 0.617 120.088 119.600 -0.214 0.000 2.552 293 M HA 0.320 4.796 4.480 -0.006 0.000 0.264 293 M C 2.065 178.147 176.300 -0.363 0.000 1.159 293 M CA 0.601 55.721 55.300 -0.300 0.000 1.176 293 M CB -0.988 31.305 32.600 -0.511 0.000 1.327 293 M HN 0.311 nan 8.290 nan 0.000 0.481 294 L N 0.200 121.191 121.223 -0.387 0.000 2.187 294 L HA -0.197 4.139 4.340 -0.006 0.000 0.213 294 L C 2.400 179.210 176.870 -0.100 0.000 1.100 294 L CA 0.740 55.433 54.840 -0.245 0.000 0.765 294 L CB -0.802 41.118 42.059 -0.231 0.000 0.904 294 L HN 0.189 nan 8.230 nan 0.000 0.437 295 I N -0.404 120.103 120.570 -0.104 0.000 2.502 295 I HA -0.166 4.000 4.170 -0.006 0.000 0.258 295 I C 1.110 177.206 176.117 -0.035 0.000 1.172 295 I CA 1.269 62.528 61.300 -0.069 0.000 1.430 295 I CB -0.203 37.745 38.000 -0.086 0.000 1.086 295 I HN 0.243 nan 8.210 nan 0.000 0.440 296 G N -1.816 106.984 108.800 -0.000 0.000 2.650 296 G HA2 0.198 4.154 3.960 -0.006 0.000 0.310 296 G HA3 0.198 4.154 3.960 -0.006 0.000 0.310 296 G C -1.609 173.339 174.900 0.080 0.000 1.270 296 G CA -0.635 44.477 45.100 0.019 0.000 0.810 296 G HN -0.111 nan 8.290 nan 0.000 0.493 297 D N 1.553 121.947 120.400 -0.009 0.000 2.425 297 D HA 0.397 5.033 4.640 -0.006 0.000 0.247 297 D C 0.310 176.534 176.300 -0.126 0.000 1.147 297 D CA 0.635 54.562 54.000 -0.123 0.000 0.879 297 D CB 0.435 41.144 40.800 -0.153 0.000 1.179 297 D HN 0.529 nan 8.370 nan 0.000 0.456 298 H N -0.330 118.595 119.070 -0.241 0.000 2.943 298 H HA 0.499 5.051 4.556 -0.006 0.000 0.323 298 H C -1.228 173.898 175.328 -0.336 0.000 1.296 298 H CA -0.829 55.083 56.048 -0.226 0.000 1.155 298 H CB 0.545 30.307 29.762 -0.000 0.000 1.882 298 H HN 0.287 nan 8.280 nan 0.000 0.553 299 Y N -0.079 120.457 120.300 0.395 0.000 2.553 299 Y HA 0.359 4.905 4.550 -0.006 0.000 0.347 299 Y C -0.379 175.816 175.900 0.492 0.000 1.019 299 Y CA -1.180 57.163 58.100 0.405 0.000 1.032 299 Y CB 2.040 40.585 38.460 0.142 0.000 1.284 299 Y HN 0.477 nan 8.280 nan 0.000 0.466 300 L N 3.138 124.731 121.223 0.616 0.000 2.281 300 L HA 0.395 4.731 4.340 -0.006 0.000 0.285 300 L C 0.468 177.416 176.870 0.130 0.000 1.074 300 L CA -0.175 54.687 54.840 0.037 0.000 0.817 300 L CB 0.449 42.397 42.059 -0.185 0.000 1.168 300 L HN 0.999 nan 8.230 nan 0.000 0.434 301 C N 1.093 120.320 119.300 -0.122 0.000 3.392 301 C HA 0.612 5.068 4.460 -0.006 0.000 0.301 301 C C 0.128 174.984 174.990 -0.225 0.000 1.354 301 C CA -0.048 58.828 59.018 -0.237 0.000 1.732 301 C CB -1.207 26.436 27.740 -0.161 0.000 2.269 301 C HN 0.907 nan 8.230 nan 0.000 0.673 302 D N -0.203 120.101 120.400 -0.160 0.000 2.836 302 D HA 0.545 5.181 4.640 -0.006 0.000 0.215 302 D C -1.500 174.554 176.300 -0.410 0.000 1.255 302 D CA -0.146 53.782 54.000 -0.120 0.000 0.822 302 D CB 2.156 42.861 40.800 -0.159 0.000 1.656 302 D HN 0.050 nan 8.370 nan 0.000 0.511 303 V N 2.536 122.141 119.914 -0.516 0.000 2.531 303 V HA 0.736 4.853 4.120 -0.006 0.000 0.301 303 V C -0.519 175.214 176.094 -0.602 0.000 1.034 303 V CA -0.505 61.247 62.300 -0.914 0.000 0.865 303 V CB 1.894 32.611 31.823 -1.843 0.000 0.995 303 V HN 0.727 nan 8.190 nan 0.000 0.424 304 T N 2.820 117.088 114.554 -0.476 0.000 2.991 304 T HA 0.409 4.755 4.350 -0.006 0.000 0.303 304 T C -1.058 173.491 174.700 -0.252 0.000 1.015 304 T CA -0.496 61.484 62.100 -0.199 0.000 1.007 304 T CB 1.067 69.903 68.868 -0.053 0.000 1.034 304 T HN 0.520 nan 8.240 nan 0.000 0.446 305 W N 1.817 123.056 121.300 -0.102 0.000 2.272 305 W HA 0.535 5.191 4.660 -0.007 0.000 0.318 305 W C 1.129 177.502 176.519 -0.242 0.000 1.255 305 W CA -0.514 56.754 57.345 -0.128 0.000 1.200 305 W CB 0.710 30.180 29.460 0.017 0.000 1.170 305 W HN 0.891 nan 8.180 nan 0.000 0.549 306 A N 2.044 124.701 122.820 -0.272 0.000 1.901 306 A HA 0.158 4.474 4.320 -0.006 0.000 0.210 306 A C 1.028 178.552 177.584 -0.100 0.000 1.208 306 A CA 1.706 53.359 52.037 -0.640 0.000 0.644 306 A CB -0.433 17.770 19.000 -1.329 0.000 0.863 306 A HN 0.555 nan 8.150 nan 0.000 0.454 307 T N -5.768 108.827 114.554 0.068 0.000 2.590 307 T HA 0.335 4.681 4.350 -0.006 0.000 0.282 307 T C 0.219 175.065 174.700 0.244 0.000 0.989 307 T CA -0.295 61.891 62.100 0.144 0.000 1.091 307 T CB 0.541 69.478 68.868 0.115 0.000 1.460 307 T HN -0.037 nan 8.240 nan 0.000 0.499 308 Q N 0.279 120.197 119.800 0.196 0.000 2.297 308 Q HA 0.133 4.470 4.340 -0.006 0.000 0.204 308 Q C 0.979 177.203 176.000 0.374 0.000 0.962 308 Q CA 1.264 57.189 55.803 0.203 0.000 0.879 308 Q CB 0.023 28.849 28.738 0.146 0.000 0.947 308 Q HN 0.793 nan 8.270 nan 0.000 0.462 309 E N 0.006 120.420 120.200 0.357 0.000 2.714 309 E HA 0.172 4.518 4.350 -0.006 0.000 0.219 309 E C -0.161 176.663 176.600 0.372 0.000 0.979 309 E CA -0.164 56.434 56.400 0.330 0.000 1.092 309 E CB 1.015 30.841 29.700 0.211 0.000 1.049 309 E HN -0.037 nan 8.360 nan 0.000 0.487 310 R N 1.637 122.393 120.500 0.428 0.000 2.514 310 R HA 0.480 4.816 4.340 -0.006 0.000 0.296 310 R C -1.680 174.644 176.300 0.040 0.000 1.012 310 R CA -0.396 55.841 56.100 0.228 0.000 0.897 310 R CB 1.182 31.511 30.300 0.048 0.000 1.184 310 R HN 0.042 nan 8.270 nan 0.000 0.440 311 I N 3.280 123.714 120.570 -0.227 0.000 2.509 311 I HA 0.396 4.562 4.170 -0.006 0.000 0.293 311 I C -0.844 174.951 176.117 -0.537 0.000 1.020 311 I CA -0.504 60.380 61.300 -0.694 0.000 1.088 311 I CB 2.136 39.295 38.000 -1.402 0.000 1.267 311 I HN 0.812 nan 8.210 nan 0.000 0.430 312 S N 7.640 123.013 115.700 -0.543 0.000 2.454 312 S HA 0.770 5.236 4.470 -0.006 0.000 0.306 312 S C -1.070 173.213 174.600 -0.528 0.000 1.100 312 S CA -0.672 57.286 58.200 -0.404 0.000 1.087 312 S CB 1.419 64.508 63.200 -0.185 0.000 1.019 312 S HN 0.450 nan 8.310 nan 0.000 0.480 313 L N 2.575 123.484 121.223 -0.524 0.000 2.362 313 L HA 0.582 4.919 4.340 -0.006 0.000 0.271 313 L C -0.115 176.421 176.870 -0.557 0.000 1.002 313 L CA -0.493 53.921 54.840 -0.710 0.000 0.818 313 L CB 1.938 43.425 42.059 -0.952 0.000 1.298 313 L HN 0.706 nan 8.230 nan 0.000 0.420 314 Q N 1.472 120.908 119.800 -0.606 0.000 2.333 314 Q HA 0.461 4.798 4.340 -0.006 0.000 0.268 314 Q C -1.689 174.040 176.000 -0.452 0.000 1.007 314 Q CA -0.463 55.108 55.803 -0.388 0.000 0.810 314 Q CB 1.868 30.453 28.738 -0.254 0.000 1.264 314 Q HN 0.474 nan 8.270 nan 0.000 0.452 315 W N 2.708 123.957 121.300 -0.085 0.000 2.578 315 W HA 0.634 5.290 4.660 -0.007 0.000 0.346 315 W C -0.605 175.943 176.519 0.049 0.000 1.075 315 W CA -0.578 56.766 57.345 -0.001 0.000 1.233 315 W CB 1.123 30.555 29.460 -0.047 0.000 1.358 315 W HN 0.296 nan 8.180 nan 0.000 0.574 316 L N 3.054 124.505 121.223 0.379 0.000 2.409 316 L HA 0.504 4.840 4.340 -0.006 0.000 0.272 316 L C 0.147 177.228 176.870 0.351 0.000 0.980 316 L CA -1.061 53.965 54.840 0.310 0.000 0.826 316 L CB 1.533 43.752 42.059 0.268 0.000 1.268 316 L HN 0.515 nan 8.230 nan 0.000 0.407 317 R N 1.871 122.536 120.500 0.276 0.000 2.738 317 R HA 0.065 4.401 4.340 -0.006 0.000 0.268 317 R C 0.977 177.378 176.300 0.168 0.000 1.062 317 R CA -0.058 56.157 56.100 0.191 0.000 1.158 317 R CB 0.803 31.192 30.300 0.148 0.000 1.046 317 R HN 0.597 nan 8.270 nan 0.000 0.493 318 R N 1.481 121.999 120.500 0.031 0.000 2.081 318 R HA -0.059 4.277 4.340 -0.006 0.000 0.235 318 R C 0.388 176.767 176.300 0.132 0.000 1.131 318 R CA 1.243 57.361 56.100 0.029 0.000 0.960 318 R CB -0.049 30.199 30.300 -0.088 0.000 0.856 318 R HN 0.493 nan 8.270 nan 0.000 0.436 319 I N 2.503 123.122 120.570 0.081 0.000 2.421 319 I HA -0.022 4.145 4.170 -0.006 0.000 0.291 319 I C 0.268 176.445 176.117 0.100 0.000 1.089 319 I CA 0.329 61.671 61.300 0.070 0.000 1.354 319 I CB 1.379 39.405 38.000 0.044 0.000 1.413 319 I HN 0.276 nan 8.210 nan 0.000 0.513 320 Q N 5.520 125.368 119.800 0.078 0.000 2.639 320 Q HA 0.020 4.356 4.340 -0.006 0.000 0.301 320 Q C 0.245 176.315 176.000 0.117 0.000 1.029 320 Q CA -0.067 55.794 55.803 0.097 0.000 0.936 320 Q CB -0.393 28.352 28.738 0.012 0.000 1.354 320 Q HN 0.646 nan 8.270 nan 0.000 0.417 321 N N -0.675 118.099 118.700 0.123 0.000 2.238 321 N HA -0.003 4.733 4.740 -0.006 0.000 0.235 321 N C -1.162 174.452 175.510 0.174 0.000 1.209 321 N CA -0.305 52.810 53.050 0.109 0.000 0.879 321 N CB 0.329 38.856 38.487 0.067 0.000 1.136 321 N HN 0.208 nan 8.380 nan 0.000 0.517 322 Y N 0.925 121.248 120.300 0.038 0.000 2.287 322 Y HA 0.467 5.013 4.550 -0.006 0.000 0.321 322 Y C -1.377 174.555 175.900 0.053 0.000 1.173 322 Y CA -0.800 57.321 58.100 0.035 0.000 1.124 322 Y CB 1.206 39.681 38.460 0.024 0.000 1.201 322 Y HN 0.182 nan 8.280 nan 0.000 0.421 323 S N 4.349 119.954 115.700 -0.158 0.000 2.548 323 S HA 0.918 5.385 4.470 -0.006 0.000 0.286 323 S C -1.778 172.725 174.600 -0.162 0.000 1.098 323 S CA -0.715 57.457 58.200 -0.047 0.000 0.930 323 S CB 1.977 65.179 63.200 0.003 0.000 1.070 323 S HN 0.419 nan 8.310 nan 0.000 0.480 324 V N 3.237 123.148 119.914 -0.005 0.000 2.555 324 V HA 0.553 4.669 4.120 -0.006 0.000 0.302 324 V C -0.329 175.787 176.094 0.037 0.000 1.038 324 V CA -0.727 61.572 62.300 -0.002 0.000 0.887 324 V CB 1.788 33.645 31.823 0.057 0.000 0.991 324 V HN 1.027 nan 8.190 nan 0.000 0.434 325 M N 3.667 123.261 119.600 -0.010 0.000 2.149 325 M HA 0.471 4.948 4.480 -0.006 0.000 0.342 325 M C -1.264 175.035 176.300 -0.002 0.000 1.068 325 M CA -0.408 54.860 55.300 -0.053 0.000 0.991 325 M CB 1.005 33.511 32.600 -0.157 0.000 1.596 325 M HN 0.607 nan 8.290 nan 0.000 0.439 326 D N 5.135 125.530 120.400 -0.009 0.000 2.198 326 D HA 0.423 5.059 4.640 -0.006 0.000 0.245 326 D C -1.020 175.237 176.300 -0.072 0.000 1.079 326 D CA -0.086 53.910 54.000 -0.008 0.000 0.854 326 D CB 1.434 42.258 40.800 0.041 0.000 1.148 326 D HN 0.517 nan 8.370 nan 0.000 0.456 327 I N 2.858 123.414 120.570 -0.024 0.000 2.339 327 I HA 0.217 4.383 4.170 -0.006 0.000 0.290 327 I C -0.355 175.751 176.117 -0.019 0.000 0.994 327 I CA -0.249 61.027 61.300 -0.039 0.000 1.191 327 I CB 1.082 39.108 38.000 0.043 0.000 1.343 327 I HN 0.258 nan 8.210 nan 0.000 0.458 328 c N 4.117 122.695 118.600 -0.037 0.000 2.379 328 c HA 0.576 5.142 4.570 -0.006 0.000 0.323 328 c C -0.416 173.811 174.090 0.229 0.000 1.262 328 c CA -0.857 55.517 56.329 0.075 0.000 1.581 328 c CB 0.815 43.352 42.510 0.045 0.000 2.221 328 c HN 0.661 nan 8.230 nan 0.000 0.497 329 D N 0.401 120.925 120.400 0.208 0.000 2.248 329 D HA 0.352 4.988 4.640 -0.006 0.000 0.246 329 D C -0.765 175.470 176.300 -0.108 0.000 1.027 329 D CA -0.257 53.812 54.000 0.114 0.000 0.853 329 D CB 0.809 41.623 40.800 0.023 0.000 1.243 329 D HN 0.574 nan 8.370 nan 0.000 0.462 330 Y N 1.997 121.891 120.300 -0.677 0.000 2.402 330 Y HA 0.138 4.684 4.550 -0.007 0.000 0.333 330 Y C -0.161 175.436 175.900 -0.504 0.000 1.076 330 Y CA -0.090 57.305 58.100 -1.175 0.000 1.299 330 Y CB 0.625 38.209 38.460 -1.460 0.000 1.197 330 Y HN 0.262 nan 8.280 nan 0.000 0.517 331 D N 6.158 125.949 120.400 -1.016 0.000 2.317 331 D HA 0.049 4.685 4.640 -0.006 0.000 0.234 331 D C 0.504 176.267 176.300 -0.896 0.000 1.112 331 D CA -0.087 53.500 54.000 -0.689 0.000 0.840 331 D CB 1.134 41.689 40.800 -0.408 0.000 1.078 331 D HN 0.748 nan 8.370 nan 0.000 0.486 332 E N 1.832 121.727 120.200 -0.507 0.000 2.058 332 E HA -0.176 4.170 4.350 -0.006 0.000 0.194 332 E C 1.872 178.355 176.600 -0.195 0.000 0.997 332 E CA 1.353 57.590 56.400 -0.271 0.000 0.801 332 E CB -0.026 29.627 29.700 -0.077 0.000 0.746 332 E HN 0.587 nan 8.360 nan 0.000 0.450 333 S N 0.875 116.474 115.700 -0.168 0.000 2.357 333 S HA -0.096 4.370 4.470 -0.006 0.000 0.221 333 S C 2.261 176.800 174.600 -0.101 0.000 1.031 333 S CA 1.412 59.551 58.200 -0.101 0.000 0.982 333 S CB -0.339 62.816 63.200 -0.076 0.000 0.853 333 S HN 0.246 nan 8.310 nan 0.000 0.458 334 S N 0.608 116.220 115.700 -0.145 0.000 2.470 334 S HA 0.398 4.864 4.470 -0.006 0.000 0.225 334 S C 1.807 176.347 174.600 -0.101 0.000 1.006 334 S CA 0.587 58.723 58.200 -0.106 0.000 0.934 334 S CB -0.758 62.381 63.200 -0.101 0.000 0.778 334 S HN 1.488 nan 8.310 nan 0.000 0.517 335 G N 1.362 110.036 108.800 -0.211 0.000 2.168 335 G HA2 -0.279 3.678 3.960 -0.006 0.000 0.263 335 G HA3 -0.279 3.678 3.960 -0.006 0.000 0.263 335 G C 0.174 175.054 174.900 -0.033 0.000 0.977 335 G CA 0.387 45.423 45.100 -0.108 0.000 0.659 335 G HN 0.608 nan 8.290 nan 0.000 0.533 336 R N -1.656 118.750 120.500 -0.156 0.000 2.782 336 R HA 0.620 4.956 4.340 -0.006 0.000 0.258 336 R C -0.819 175.405 176.300 -0.127 0.000 1.055 336 R CA -0.812 55.291 56.100 0.005 0.000 1.065 336 R CB 0.831 31.153 30.300 0.036 0.000 1.172 336 R HN 0.151 nan 8.270 nan 0.000 0.510 337 W N 0.625 121.939 121.300 0.024 0.000 2.376 337 W HA 0.377 5.033 4.660 -0.007 0.000 0.312 337 W C -0.412 176.089 176.519 -0.029 0.000 1.060 337 W CA -0.331 57.018 57.345 0.007 0.000 1.221 337 W CB 1.009 30.479 29.460 0.017 0.000 1.281 337 W HN 0.414 nan 8.180 nan 0.000 0.456 338 N N 2.101 120.883 118.700 0.136 0.000 2.361 338 N HA 0.623 5.360 4.740 -0.006 0.000 0.302 338 N C -1.500 174.050 175.510 0.067 0.000 1.074 338 N CA -0.657 52.433 53.050 0.067 0.000 0.850 338 N CB 1.280 39.769 38.487 0.004 0.000 1.228 338 N HN 0.191 nan 8.380 nan 0.000 0.491 339 c N 2.419 121.039 118.600 0.034 0.000 2.316 339 c HA 0.445 5.012 4.570 -0.006 0.000 0.324 339 c C -0.386 173.701 174.090 -0.004 0.000 1.226 339 c CA -1.125 55.213 56.329 0.015 0.000 1.450 339 c CB -0.989 41.520 42.510 -0.002 0.000 2.123 339 c HN 0.558 nan 8.230 nan 0.000 0.454 340 L N 3.048 124.271 121.223 -0.001 0.000 2.367 340 L HA 0.152 4.488 4.340 -0.006 0.000 0.275 340 L C 1.483 178.339 176.870 -0.023 0.000 1.129 340 L CA 0.418 55.252 54.840 -0.011 0.000 0.839 340 L CB 0.319 42.376 42.059 -0.003 0.000 1.133 340 L HN 0.604 nan 8.230 nan 0.000 0.453 341 V N 2.761 122.655 119.914 -0.033 0.000 2.568 341 V HA -0.316 3.800 4.120 -0.006 0.000 0.253 341 V C 2.170 178.230 176.094 -0.057 0.000 1.072 341 V CA 2.045 64.317 62.300 -0.045 0.000 1.084 341 V CB -0.876 30.921 31.823 -0.043 0.000 0.676 341 V HN 1.013 nan 8.190 nan 0.000 0.469 342 A N -0.561 122.231 122.820 -0.047 0.000 2.209 342 A HA -0.043 4.273 4.320 -0.006 0.000 0.212 342 A C 2.135 179.675 177.584 -0.074 0.000 1.158 342 A CA 0.751 52.754 52.037 -0.056 0.000 0.742 342 A CB -0.325 18.657 19.000 -0.031 0.000 0.790 342 A HN 0.542 nan 8.150 nan 0.000 0.472 343 R N -0.471 119.995 120.500 -0.057 0.000 2.468 343 R HA 0.155 4.491 4.340 -0.006 0.000 0.280 343 R C -0.272 175.983 176.300 -0.074 0.000 0.963 343 R CA -0.104 55.983 56.100 -0.021 0.000 1.083 343 R CB 0.345 30.682 30.300 0.062 0.000 1.200 343 R HN 0.571 nan 8.270 nan 0.000 0.541 344 Q N 0.429 120.128 119.800 -0.167 0.000 2.261 344 Q HA 0.173 4.509 4.340 -0.006 0.000 0.252 344 Q C -0.934 174.866 176.000 -0.332 0.000 0.915 344 Q CA 0.080 55.801 55.803 -0.137 0.000 0.915 344 Q CB 1.286 29.973 28.738 -0.084 0.000 1.204 344 Q HN 0.192 nan 8.270 nan 0.000 0.421 345 H N 1.164 120.212 119.070 -0.036 0.000 2.547 345 H HA 0.422 4.974 4.556 -0.006 0.000 0.342 345 H C -0.827 174.443 175.328 -0.095 0.000 1.048 345 H CA -0.440 55.581 56.048 -0.045 0.000 1.204 345 H CB 1.084 30.807 29.762 -0.065 0.000 1.493 345 H HN 0.436 nan 8.280 nan 0.000 0.511 346 I N 2.223 122.785 120.570 -0.013 0.000 2.336 346 I HA 0.185 4.351 4.170 -0.006 0.000 0.292 346 I C 0.018 176.059 176.117 -0.126 0.000 0.991 346 I CA -0.178 61.027 61.300 -0.160 0.000 1.227 346 I CB 1.279 39.154 38.000 -0.208 0.000 1.366 346 I HN 0.574 nan 8.210 nan 0.000 0.466 347 E N 8.370 128.453 120.200 -0.195 0.000 2.207 347 E HA 0.450 4.796 4.350 -0.006 0.000 0.250 347 E C -0.932 175.559 176.600 -0.182 0.000 0.890 347 E CA -0.674 55.655 56.400 -0.118 0.000 0.749 347 E CB 1.038 30.697 29.700 -0.070 0.000 1.193 347 E HN 0.599 nan 8.360 nan 0.000 0.423 348 M N 1.384 120.903 119.600 -0.136 0.000 2.777 348 M HA 0.666 5.142 4.480 -0.006 0.000 0.307 348 M C -0.733 175.556 176.300 -0.018 0.000 1.228 348 M CA -0.752 54.503 55.300 -0.076 0.000 0.871 348 M CB 2.238 34.830 32.600 -0.014 0.000 1.721 348 M HN 0.196 nan 8.290 nan 0.000 0.487 349 S N -0.786 114.914 115.700 0.000 0.000 2.540 349 S HA 0.556 5.022 4.470 -0.006 0.000 0.275 349 S C 0.192 174.779 174.600 -0.022 0.000 1.123 349 S CA -0.050 58.133 58.200 -0.029 0.000 0.907 349 S CB 1.816 64.960 63.200 -0.093 0.000 1.081 349 S HN 0.938 nan 8.310 nan 0.000 0.476 350 T N -0.352 114.187 114.554 -0.024 0.000 3.023 350 T HA 0.050 4.397 4.350 -0.006 0.000 0.249 350 T C 1.661 176.337 174.700 -0.040 0.000 1.050 350 T CA 1.032 63.122 62.100 -0.016 0.000 1.088 350 T CB -0.601 68.266 68.868 -0.002 0.000 0.946 350 T HN 0.686 nan 8.240 nan 0.000 0.480 351 T N -1.451 113.068 114.554 -0.058 0.000 3.051 351 T HA 0.563 4.910 4.350 -0.006 0.000 0.255 351 T C 1.176 175.735 174.700 -0.235 0.000 1.085 351 T CA 0.480 62.550 62.100 -0.050 0.000 1.109 351 T CB 0.119 69.023 68.868 0.061 0.000 0.921 351 T HN 0.642 nan 8.240 nan 0.000 0.488 352 G N 0.188 108.659 108.800 -0.550 0.000 2.726 352 G HA2 0.493 4.450 3.960 -0.006 0.000 0.198 352 G HA3 0.493 4.450 3.960 -0.006 0.000 0.198 352 G C -1.527 173.094 174.900 -0.466 0.000 1.195 352 G CA -0.628 43.945 45.100 -0.879 0.000 0.951 352 G HN 0.510 nan 8.290 nan 0.000 0.532 353 W N -0.562 120.434 121.300 -0.508 0.000 2.181 353 W HA 0.781 5.437 4.660 -0.006 0.000 0.415 353 W C -0.312 176.130 176.519 -0.129 0.000 1.689 353 W CA -1.298 55.899 57.345 -0.248 0.000 1.859 353 W CB 0.833 30.141 29.460 -0.253 0.000 1.425 353 W HN 0.424 nan 8.180 nan 0.000 0.713 354 V N 2.567 122.527 119.914 0.077 0.000 2.435 354 V HA 0.770 4.886 4.120 -0.006 0.000 0.290 354 V C 0.383 176.525 176.094 0.081 0.000 1.030 354 V CA 0.349 62.652 62.300 0.005 0.000 0.881 354 V CB 0.404 32.239 31.823 0.022 0.000 0.983 354 V HN 1.636 nan 8.190 nan 0.000 0.445 355 G N 6.280 115.089 108.800 0.016 0.000 2.829 355 G HA2 -0.212 3.744 3.960 -0.006 0.000 0.628 355 G HA3 -0.212 3.744 3.960 -0.006 0.000 0.628 355 G C 0.265 175.232 174.900 0.112 0.000 1.412 355 G CA 0.337 45.480 45.100 0.071 0.000 0.864 355 G HN 0.904 nan 8.290 nan 0.000 0.544 356 R N -0.834 119.749 120.500 0.138 0.000 2.062 356 R HA 0.164 4.500 4.340 -0.006 0.000 0.229 356 R C 2.003 178.306 176.300 0.005 0.000 1.128 356 R CA 2.161 58.318 56.100 0.095 0.000 0.960 356 R CB -0.068 30.309 30.300 0.128 0.000 0.855 356 R HN 0.490 nan 8.270 nan 0.000 0.432 357 F N -0.984 119.107 119.950 0.234 0.000 2.819 357 F HA 0.254 4.777 4.527 -0.007 0.000 0.325 357 F C 0.215 176.045 175.800 0.051 0.000 1.041 357 F CA -0.561 57.526 58.000 0.146 0.000 1.184 357 F CB 0.780 39.859 39.000 0.132 0.000 1.019 357 F HN -0.145 nan 8.300 nan 0.000 0.590 358 R N -0.834 119.803 120.500 0.228 0.000 2.690 358 R HA 0.468 4.804 4.340 -0.006 0.000 0.269 358 R C -3.328 173.024 176.300 0.087 0.000 1.037 358 R CA -2.046 54.107 56.100 0.088 0.000 0.877 358 R CB 0.212 30.507 30.300 -0.008 0.000 1.255 358 R HN -0.362 nan 8.270 nan 0.000 0.467 359 P HA -0.060 nan 4.420 nan 0.000 0.264 359 P C -0.099 177.215 177.300 0.024 0.000 1.183 359 P CA 0.063 63.176 63.100 0.021 0.000 0.763 359 P CB 0.850 32.537 31.700 -0.022 0.000 0.807 360 S N 2.464 118.192 115.700 0.047 0.000 2.569 360 S HA 0.033 4.499 4.470 -0.006 0.000 0.274 360 S C 0.250 174.863 174.600 0.022 0.000 1.353 360 S CA -0.471 57.773 58.200 0.072 0.000 1.023 360 S CB 0.075 63.339 63.200 0.107 0.000 0.876 360 S HN 0.488 nan 8.310 nan 0.000 0.540 361 E N 2.563 122.792 120.200 0.048 0.000 2.266 361 E HA 0.440 4.786 4.350 -0.006 0.000 0.277 361 E C -2.794 173.767 176.600 -0.063 0.000 1.018 361 E CA -2.432 53.944 56.400 -0.040 0.000 0.840 361 E CB 0.537 30.216 29.700 -0.034 0.000 1.082 361 E HN 0.476 nan 8.360 nan 0.000 0.395 362 P HA 0.189 nan 4.420 nan 0.000 0.278 362 P C -0.687 176.451 177.300 -0.271 0.000 1.238 362 P CA -0.188 62.738 63.100 -0.290 0.000 0.794 362 P CB 0.623 31.776 31.700 -0.912 0.000 0.955 363 H N 2.220 121.294 119.070 0.007 0.000 2.718 363 H HA 0.281 4.833 4.556 -0.006 0.000 0.295 363 H C -0.236 175.205 175.328 0.188 0.000 1.051 363 H CA -0.370 55.771 56.048 0.155 0.000 1.260 363 H CB 0.185 30.074 29.762 0.211 0.000 1.403 363 H HN 0.313 nan 8.280 nan 0.000 0.488 364 F N 2.012 122.131 119.950 0.282 0.000 2.429 364 F HA 0.030 4.553 4.527 -0.006 0.000 0.348 364 F C 1.573 177.544 175.800 0.285 0.000 1.109 364 F CA -0.432 57.728 58.000 0.266 0.000 1.232 364 F CB 0.904 39.995 39.000 0.152 0.000 1.157 364 F HN 0.363 nan 8.300 nan 0.000 0.564 365 T N 1.135 115.964 114.554 0.458 0.000 2.900 365 T HA 0.054 4.400 4.350 -0.006 0.000 0.307 365 T C 1.133 176.016 174.700 0.304 0.000 1.065 365 T CA -0.828 61.492 62.100 0.366 0.000 1.105 365 T CB 0.776 69.838 68.868 0.323 0.000 0.979 365 T HN 0.609 nan 8.240 nan 0.000 0.544 366 L N 1.522 122.886 121.223 0.234 0.000 2.089 366 L HA -0.154 4.182 4.340 -0.006 0.000 0.213 366 L C 2.128 179.096 176.870 0.163 0.000 1.079 366 L CA 2.466 57.415 54.840 0.183 0.000 0.758 366 L CB -0.994 41.151 42.059 0.143 0.000 0.891 366 L HN 0.956 nan 8.230 nan 0.000 0.433 367 D N -1.499 118.999 120.400 0.164 0.000 2.317 367 D HA 0.046 4.682 4.640 -0.006 0.000 0.211 367 D C 1.672 178.061 176.300 0.149 0.000 0.966 367 D CA 0.845 54.928 54.000 0.139 0.000 0.876 367 D CB -0.526 40.349 40.800 0.124 0.000 0.927 367 D HN 0.433 nan 8.370 nan 0.000 0.519 368 G N 0.687 109.610 108.800 0.206 0.000 2.143 368 G HA2 -0.312 3.644 3.960 -0.006 0.000 0.248 368 G HA3 -0.312 3.644 3.960 -0.006 0.000 0.248 368 G C 0.760 175.821 174.900 0.269 0.000 0.991 368 G CA 0.359 45.594 45.100 0.226 0.000 0.689 368 G HN 0.382 nan 8.290 nan 0.000 0.522 369 N N -0.068 118.772 118.700 0.232 0.000 2.299 369 N HA 0.202 4.938 4.740 -0.006 0.000 0.187 369 N C 0.491 176.095 175.510 0.156 0.000 1.099 369 N CA 0.901 54.063 53.050 0.186 0.000 0.867 369 N CB 0.580 39.144 38.487 0.128 0.000 0.974 369 N HN 0.406 nan 8.380 nan 0.000 0.477 370 S N -0.114 115.687 115.700 0.168 0.000 2.588 370 S HA 0.728 5.194 4.470 -0.006 0.000 0.275 370 S C -1.160 173.408 174.600 -0.053 0.000 1.130 370 S CA -0.800 57.321 58.200 -0.133 0.000 0.855 370 S CB 1.791 64.828 63.200 -0.272 0.000 1.116 370 S HN 0.230 nan 8.310 nan 0.000 0.472 371 F N -0.782 118.811 119.950 -0.595 0.000 2.668 371 F HA 0.756 5.280 4.527 -0.005 0.000 0.309 371 F C -2.143 173.323 175.800 -0.556 0.000 1.117 371 F CA -1.330 56.315 58.000 -0.591 0.000 0.951 371 F CB 0.684 38.997 39.000 -1.145 0.000 1.323 371 F HN 0.486 nan 8.300 nan 0.000 0.451 372 Y N 1.504 121.839 120.300 0.059 0.000 2.360 372 Y HA 0.657 5.203 4.550 -0.007 0.000 0.337 372 Y C -0.434 175.594 175.900 0.214 0.000 1.039 372 Y CA -0.734 57.425 58.100 0.098 0.000 1.109 372 Y CB 2.034 40.560 38.460 0.111 0.000 1.201 372 Y HN 0.702 nan 8.280 nan 0.000 0.458 373 K N 1.420 122.018 120.400 0.330 0.000 2.546 373 K HA 0.625 4.941 4.320 -0.006 0.000 0.264 373 K C -1.732 175.000 176.600 0.219 0.000 0.937 373 K CA -0.761 55.692 56.287 0.277 0.000 0.833 373 K CB 1.622 34.235 32.500 0.188 0.000 1.378 373 K HN 0.559 nan 8.250 nan 0.000 0.432 374 I N 3.851 124.529 120.570 0.179 0.000 2.517 374 I HA 0.224 4.390 4.170 -0.006 0.000 0.285 374 I C 0.122 176.324 176.117 0.142 0.000 1.106 374 I CA -0.267 61.118 61.300 0.142 0.000 1.402 374 I CB -0.013 38.056 38.000 0.115 0.000 1.399 374 I HN 0.611 nan 8.210 nan 0.000 0.535 375 I N 2.466 123.143 120.570 0.179 0.000 2.934 375 I HA 0.569 4.735 4.170 -0.006 0.000 0.306 375 I C 0.047 176.264 176.117 0.166 0.000 1.110 375 I CA -0.841 60.560 61.300 0.168 0.000 1.019 375 I CB 2.186 40.311 38.000 0.209 0.000 1.227 375 I HN 0.502 nan 8.210 nan 0.000 0.434 376 S N 2.300 118.042 115.700 0.071 0.000 2.548 376 S HA 0.310 4.776 4.470 -0.006 0.000 0.277 376 S C -0.020 174.605 174.600 0.041 0.000 1.315 376 S CA -0.646 57.548 58.200 -0.010 0.000 1.050 376 S CB 0.409 63.539 63.200 -0.118 0.000 0.918 376 S HN 0.843 nan 8.310 nan 0.000 0.497 377 N N 2.521 121.169 118.700 -0.086 0.000 2.381 377 N HA 0.183 4.919 4.740 -0.006 0.000 0.289 377 N C 0.539 175.959 175.510 -0.150 0.000 1.288 377 N CA -0.367 52.514 53.050 -0.282 0.000 0.960 377 N CB -0.305 37.721 38.487 -0.768 0.000 1.116 377 N HN 0.630 nan 8.380 nan 0.000 0.557 378 E N -1.101 118.994 120.200 -0.175 0.000 2.152 378 E HA -0.147 4.200 4.350 -0.006 0.000 0.192 378 E C 1.120 177.669 176.600 -0.086 0.000 0.983 378 E CA 1.413 57.756 56.400 -0.094 0.000 0.818 378 E CB -0.333 29.321 29.700 -0.078 0.000 0.758 378 E HN 0.858 nan 8.360 nan 0.000 0.467 379 E N -0.839 119.310 120.200 -0.085 0.000 2.502 379 E HA 0.125 4.471 4.350 -0.006 0.000 0.194 379 E C 0.980 177.579 176.600 -0.002 0.000 1.062 379 E CA 0.493 56.890 56.400 -0.005 0.000 0.867 379 E CB 0.158 29.875 29.700 0.029 0.000 0.888 379 E HN 0.177 nan 8.360 nan 0.000 0.510 380 G N -0.044 108.684 108.800 -0.120 0.000 2.176 380 G HA2 -0.272 3.685 3.960 -0.006 0.000 0.232 380 G HA3 -0.272 3.685 3.960 -0.006 0.000 0.232 380 G C -0.424 174.182 174.900 -0.490 0.000 0.986 380 G CA -0.024 44.882 45.100 -0.323 0.000 0.643 380 G HN 0.274 nan 8.290 nan 0.000 0.522 381 Y N 0.360 120.536 120.300 -0.206 0.000 2.361 381 Y HA 0.686 5.233 4.550 -0.004 0.000 0.332 381 Y C 1.122 176.863 175.900 -0.265 0.000 1.101 381 Y CA -0.880 57.077 58.100 -0.239 0.000 1.137 381 Y CB 1.001 39.331 38.460 -0.217 0.000 1.207 381 Y HN 0.053 nan 8.280 nan 0.000 0.463 382 R N 3.433 123.789 120.500 -0.239 0.000 2.248 382 R HA 0.300 4.636 4.340 -0.006 0.000 0.328 382 R C -0.876 175.123 176.300 -0.502 0.000 1.067 382 R CA -0.117 55.845 56.100 -0.231 0.000 0.924 382 R CB 0.109 30.328 30.300 -0.134 0.000 1.013 382 R HN 0.655 nan 8.270 nan 0.000 0.454 383 H N 1.805 120.857 119.070 -0.030 0.000 2.985 383 H HA 0.312 4.865 4.556 -0.005 0.000 0.360 383 H C -0.160 175.228 175.328 0.101 0.000 1.221 383 H CA -0.938 55.075 56.048 -0.058 0.000 1.121 383 H CB 1.622 31.272 29.762 -0.186 0.000 1.854 383 H HN 0.327 nan 8.280 nan 0.000 0.551 384 I N 1.353 122.011 120.570 0.146 0.000 2.452 384 I HA 0.018 4.184 4.170 -0.006 0.000 0.287 384 I C 0.359 176.505 176.117 0.048 0.000 1.079 384 I CA 0.252 61.601 61.300 0.083 0.000 1.387 384 I CB 0.213 38.193 38.000 -0.032 0.000 1.404 384 I HN 0.137 nan 8.210 nan 0.000 0.522 385 c N 7.121 125.682 118.600 -0.065 0.000 2.379 385 c HA 0.372 4.938 4.570 -0.006 0.000 0.323 385 c C -0.266 173.605 174.090 -0.365 0.000 1.262 385 c CA -0.631 55.419 56.329 -0.466 0.000 1.581 385 c CB 0.683 42.670 42.510 -0.872 0.000 2.221 385 c HN 0.680 nan 8.230 nan 0.000 0.497 386 Y N 4.535 124.444 120.300 -0.652 0.000 2.327 386 Y HA 0.602 5.149 4.550 -0.005 0.000 0.336 386 Y C -0.882 174.478 175.900 -0.899 0.000 1.035 386 Y CA -0.114 57.525 58.100 -0.769 0.000 1.165 386 Y CB 0.334 38.407 38.460 -0.646 0.000 1.181 386 Y HN 0.650 nan 8.280 nan 0.000 0.494 387 F N 4.190 123.232 119.950 -1.514 0.000 2.508 387 F HA 0.382 4.906 4.527 -0.005 0.000 0.325 387 F C -0.366 174.686 175.800 -1.246 0.000 1.090 387 F CA -0.889 56.276 58.000 -1.391 0.000 0.945 387 F CB 1.622 39.342 39.000 -2.133 0.000 1.156 387 F HN 0.338 nan 8.300 nan 0.000 0.463 388 Q N 3.297 122.809 119.800 -0.480 0.000 2.296 388 Q HA 0.222 4.558 4.340 -0.006 0.000 0.257 388 Q C 1.027 177.033 176.000 0.009 0.000 0.942 388 Q CA -0.282 55.389 55.803 -0.220 0.000 0.939 388 Q CB 1.809 30.499 28.738 -0.079 0.000 1.198 388 Q HN 0.723 nan 8.270 nan 0.000 0.429 389 I N 2.027 122.653 120.570 0.094 0.000 2.236 389 I HA -0.348 3.818 4.170 -0.006 0.000 0.249 389 I C 1.376 177.671 176.117 0.296 0.000 1.102 389 I CA 1.785 63.260 61.300 0.292 0.000 1.365 389 I CB 0.063 38.219 38.000 0.260 0.000 1.051 389 I HN 0.593 nan 8.210 nan 0.000 0.420 390 D N -0.114 120.383 120.400 0.162 0.000 2.216 390 D HA -0.011 4.625 4.640 -0.006 0.000 0.208 390 D C 0.808 177.153 176.300 0.075 0.000 0.960 390 D CA 0.626 54.685 54.000 0.097 0.000 0.861 390 D CB 0.064 40.900 40.800 0.059 0.000 0.985 390 D HN 0.342 nan 8.370 nan 0.000 0.493 391 K N 0.972 121.431 120.400 0.098 0.000 2.110 391 K HA 0.231 4.548 4.320 -0.006 0.000 0.263 391 K C 0.761 177.420 176.600 0.098 0.000 0.975 391 K CA -0.576 55.744 56.287 0.056 0.000 0.895 391 K CB 2.358 34.866 32.500 0.014 0.000 1.060 391 K HN -0.276 nan 8.250 nan 0.000 0.448 392 K N 1.139 121.558 120.400 0.031 0.000 2.026 392 K HA -0.078 4.238 4.320 -0.006 0.000 0.208 392 K C -0.083 176.550 176.600 0.056 0.000 1.048 392 K CA 1.615 57.923 56.287 0.035 0.000 0.929 392 K CB 0.106 32.602 32.500 -0.005 0.000 0.713 392 K HN 0.548 nan 8.250 nan 0.000 0.439 393 D N -0.039 120.345 120.400 -0.028 0.000 2.225 393 D HA 0.136 4.772 4.640 -0.006 0.000 0.249 393 D C -0.135 175.993 176.300 -0.286 0.000 1.052 393 D CA -0.306 53.623 54.000 -0.119 0.000 0.909 393 D CB 1.230 41.972 40.800 -0.096 0.000 1.186 393 D HN 0.417 nan 8.370 nan 0.000 0.431 394 c N -0.122 118.160 118.600 -0.530 0.000 2.423 394 c HA 0.902 5.468 4.570 -0.006 0.000 0.378 394 c C 0.311 174.034 174.090 -0.611 0.000 1.244 394 c CA -0.715 55.101 56.329 -0.856 0.000 1.978 394 c CB 1.121 42.516 42.510 -1.858 0.000 2.252 394 c HN 0.649 nan 8.230 nan 0.000 0.526 395 T N -0.572 113.636 114.554 -0.576 0.000 2.824 395 T HA 0.631 4.977 4.350 -0.006 0.000 0.282 395 T C -0.973 173.427 174.700 -0.500 0.000 0.993 395 T CA -0.272 61.589 62.100 -0.397 0.000 0.967 395 T CB 0.539 69.279 68.868 -0.214 0.000 0.960 395 T HN 0.542 nan 8.240 nan 0.000 0.441 396 F N 3.591 123.365 119.950 -0.293 0.000 2.443 396 F HA 0.386 4.909 4.527 -0.007 0.000 0.353 396 F C 1.593 177.121 175.800 -0.453 0.000 1.101 396 F CA -0.946 56.873 58.000 -0.301 0.000 1.226 396 F CB 0.948 39.802 39.000 -0.243 0.000 1.140 396 F HN 0.679 nan 8.300 nan 0.000 0.557 397 I N -1.283 119.128 120.570 -0.266 0.000 4.139 397 I HA 0.253 4.419 4.170 -0.006 0.000 0.335 397 I C 0.139 176.161 176.117 -0.159 0.000 1.327 397 I CA -0.000 60.983 61.300 -0.528 0.000 1.112 397 I CB 0.143 37.822 38.000 -0.534 0.000 1.058 397 I HN 0.496 nan 8.210 nan 0.000 0.396 398 T N 0.185 114.676 114.554 -0.104 0.000 2.916 398 T HA 0.713 5.060 4.350 -0.006 0.000 0.292 398 T C -0.628 173.735 174.700 -0.563 0.000 1.055 398 T CA -0.650 61.371 62.100 -0.132 0.000 1.009 398 T CB 2.777 71.635 68.868 -0.016 0.000 1.118 398 T HN 0.480 nan 8.240 nan 0.000 0.497 399 K N -0.322 119.582 120.400 -0.827 0.000 2.571 399 K HA 0.783 5.099 4.320 -0.006 0.000 0.289 399 K C -0.400 175.581 176.600 -1.032 0.000 1.028 399 K CA -0.837 54.654 56.287 -1.326 0.000 0.895 399 K CB 1.304 33.417 32.500 -0.644 0.000 1.534 399 K HN 1.640 nan 8.250 nan 0.000 0.421 400 G N -0.147 108.131 108.800 -0.870 0.000 2.355 400 G HA2 0.037 3.993 3.960 -0.006 0.000 0.619 400 G HA3 0.037 3.993 3.960 -0.006 0.000 0.619 400 G C -0.686 173.728 174.900 -0.811 0.000 1.337 400 G CA -0.368 44.382 45.100 -0.585 0.000 0.993 400 G HN 1.055 nan 8.290 nan 0.000 0.599 401 T N -0.491 113.711 114.554 -0.586 0.000 3.855 401 T HA 0.569 4.915 4.350 -0.006 0.000 0.306 401 T C 0.197 174.754 174.700 -0.238 0.000 1.575 401 T CA 0.562 62.139 62.100 -0.872 0.000 1.214 401 T CB -0.879 67.688 68.868 -0.501 0.000 1.262 401 T HN 1.579 nan 8.240 nan 0.000 0.883 402 W N -0.364 120.801 121.300 -0.225 0.000 2.937 402 W HA 0.640 5.295 4.660 -0.009 0.000 0.360 402 W C -1.442 175.085 176.519 0.012 0.000 1.215 402 W CA -0.964 56.371 57.345 -0.016 0.000 1.183 402 W CB 0.665 30.112 29.460 -0.021 0.000 1.458 402 W HN 0.166 nan 8.180 nan 0.000 0.574 403 E N 0.826 121.203 120.200 0.294 0.000 2.256 403 E HA 0.461 4.807 4.350 -0.006 0.000 0.267 403 E C -1.039 175.677 176.600 0.193 0.000 0.892 403 E CA -1.153 55.245 56.400 -0.003 0.000 0.775 403 E CB 3.374 33.127 29.700 0.088 0.000 1.207 403 E HN 0.175 nan 8.360 nan 0.000 0.420 404 V N 4.207 124.097 119.914 -0.041 0.000 2.461 404 V HA 0.029 4.146 4.120 -0.006 0.000 0.275 404 V C 1.171 177.371 176.094 0.177 0.000 1.047 404 V CA -0.074 62.324 62.300 0.164 0.000 0.955 404 V CB 0.643 32.469 31.823 0.004 0.000 0.988 404 V HN 0.683 nan 8.190 nan 0.000 0.471 405 I N 3.115 123.826 120.570 0.235 0.000 2.429 405 I HA 0.268 4.434 4.170 -0.006 0.000 0.247 405 I C 1.131 177.379 176.117 0.218 0.000 1.099 405 I CA 1.155 62.583 61.300 0.214 0.000 1.422 405 I CB -0.663 37.406 38.000 0.115 0.000 1.112 405 I HN 0.738 nan 8.210 nan 0.000 0.430 406 G N 0.929 109.862 108.800 0.222 0.000 2.755 406 G HA2 0.531 4.488 3.960 -0.006 0.000 0.297 406 G HA3 0.531 4.488 3.960 -0.006 0.000 0.297 406 G C -1.112 173.907 174.900 0.198 0.000 1.441 406 G CA -0.507 44.718 45.100 0.208 0.000 0.964 406 G HN -0.020 nan 8.290 nan 0.000 0.540 407 I N 2.086 122.713 120.570 0.096 0.000 2.436 407 I HA 0.149 4.315 4.170 -0.006 0.000 0.289 407 I C 0.868 176.962 176.117 -0.037 0.000 1.083 407 I CA -0.302 60.964 61.300 -0.057 0.000 1.372 407 I CB 1.380 39.117 38.000 -0.439 0.000 1.408 407 I HN 0.495 nan 8.210 nan 0.000 0.516 408 E N 5.180 125.430 120.200 0.084 0.000 2.251 408 E HA 0.300 4.646 4.350 -0.006 0.000 0.194 408 E C 0.167 176.804 176.600 0.063 0.000 0.964 408 E CA 0.223 56.723 56.400 0.166 0.000 0.868 408 E CB 0.710 30.590 29.700 0.299 0.000 0.828 408 E HN 0.675 nan 8.360 nan 0.000 0.481 409 A N 0.729 123.493 122.820 -0.093 0.000 2.577 409 A HA 0.536 4.852 4.320 -0.006 0.000 0.297 409 A C -1.922 175.610 177.584 -0.086 0.000 1.060 409 A CA -0.685 51.209 52.037 -0.238 0.000 0.697 409 A CB 1.122 19.551 19.000 -0.950 0.000 1.281 409 A HN 0.049 nan 8.150 nan 0.000 0.402 410 L N 2.496 123.702 121.223 -0.027 0.000 2.342 410 L HA 0.736 5.072 4.340 -0.006 0.000 0.276 410 L C 0.546 177.446 176.870 0.051 0.000 0.997 410 L CA 0.454 55.301 54.840 0.012 0.000 0.838 410 L CB 1.462 43.556 42.059 0.058 0.000 1.224 410 L HN 1.088 nan 8.230 nan 0.000 0.416 411 T N 0.140 114.738 114.554 0.072 0.000 2.920 411 T HA 0.273 4.619 4.350 -0.006 0.000 0.292 411 T C 0.919 175.659 174.700 0.066 0.000 1.093 411 T CA 0.322 62.473 62.100 0.085 0.000 0.944 411 T CB 1.025 69.976 68.868 0.139 0.000 1.605 411 T HN 0.430 nan 8.240 nan 0.000 0.590 412 S N -0.715 115.016 115.700 0.051 0.000 2.470 412 S HA 0.038 4.504 4.470 -0.006 0.000 0.225 412 S C 0.909 175.479 174.600 -0.049 0.000 1.006 412 S CA 0.739 58.956 58.200 0.028 0.000 0.934 412 S CB -0.636 62.583 63.200 0.031 0.000 0.778 412 S HN 0.675 nan 8.310 nan 0.000 0.517 413 D N -1.038 119.285 120.400 -0.129 0.000 2.479 413 D HA 0.225 4.861 4.640 -0.006 0.000 0.221 413 D C -0.774 175.120 176.300 -0.677 0.000 1.104 413 D CA 0.308 54.066 54.000 -0.403 0.000 0.849 413 D CB 0.584 41.084 40.800 -0.500 0.000 1.072 413 D HN 0.387 nan 8.370 nan 0.000 0.502 414 Y N 0.527 120.778 120.300 -0.081 0.000 2.470 414 Y HA 0.334 4.879 4.550 -0.008 0.000 0.341 414 Y C -0.642 175.108 175.900 -0.251 0.000 1.021 414 Y CA -1.159 56.809 58.100 -0.220 0.000 1.025 414 Y CB 2.418 40.651 38.460 -0.378 0.000 1.266 414 Y HN -0.238 nan 8.280 nan 0.000 0.448 415 L N 4.637 125.772 121.223 -0.146 0.000 2.272 415 L HA 0.471 4.808 4.340 -0.006 0.000 0.289 415 L C -1.549 175.221 176.870 -0.166 0.000 1.032 415 L CA -0.821 53.911 54.840 -0.181 0.000 0.810 415 L CB -0.070 41.799 42.059 -0.316 0.000 1.205 415 L HN 0.643 nan 8.230 nan 0.000 0.422 416 Y N 6.132 126.387 120.300 -0.075 0.000 2.323 416 Y HA 0.501 5.048 4.550 -0.005 0.000 0.331 416 Y C -0.082 175.871 175.900 0.088 0.000 1.092 416 Y CA -0.161 57.909 58.100 -0.050 0.000 1.150 416 Y CB 1.306 39.635 38.460 -0.220 0.000 1.200 416 Y HN 0.601 nan 8.280 nan 0.000 0.472 417 Y N 0.189 120.577 120.300 0.148 0.000 2.670 417 Y HA 0.799 5.344 4.550 -0.008 0.000 0.334 417 Y C -1.938 174.074 175.900 0.188 0.000 1.185 417 Y CA -1.856 56.324 58.100 0.133 0.000 1.053 417 Y CB 1.244 39.760 38.460 0.094 0.000 1.298 417 Y HN 0.409 nan 8.280 nan 0.000 0.459 418 I N 2.962 123.691 120.570 0.265 0.000 2.465 418 I HA 0.629 4.795 4.170 -0.006 0.000 0.291 418 I C -0.667 175.630 176.117 0.300 0.000 1.014 418 I CA -0.549 60.852 61.300 0.170 0.000 1.093 418 I CB 2.164 40.223 38.000 0.099 0.000 1.267 418 I HN 0.898 nan 8.210 nan 0.000 0.431 419 S N 3.319 119.177 115.700 0.264 0.000 2.671 419 S HA 0.406 4.872 4.470 -0.006 0.000 0.277 419 S C -0.485 174.201 174.600 0.144 0.000 1.165 419 S CA -0.842 57.521 58.200 0.272 0.000 0.822 419 S CB 1.756 65.201 63.200 0.408 0.000 1.150 419 S HN 0.647 nan 8.310 nan 0.000 0.479 420 N N -0.365 118.422 118.700 0.145 0.000 2.320 420 N HA 0.137 4.874 4.740 -0.006 0.000 0.237 420 N C 0.578 176.103 175.510 0.026 0.000 1.129 420 N CA -0.263 52.822 53.050 0.057 0.000 0.854 420 N CB 0.181 38.679 38.487 0.019 0.000 1.083 420 N HN 0.807 nan 8.380 nan 0.000 0.504 421 E N 0.073 120.170 120.200 -0.171 0.000 2.072 421 E HA -0.185 4.162 4.350 -0.006 0.000 0.191 421 E C -0.378 176.086 176.600 -0.228 0.000 0.985 421 E CA 0.212 56.265 56.400 -0.577 0.000 0.801 421 E CB -0.093 28.602 29.700 -1.674 0.000 0.750 421 E HN 0.531 nan 8.360 nan 0.000 0.452 422 Y N 1.805 122.012 120.300 -0.156 0.000 2.805 422 Y HA -0.183 4.362 4.550 -0.008 0.000 0.331 422 Y C 0.442 176.303 175.900 -0.064 0.000 1.241 422 Y CA 0.877 58.931 58.100 -0.076 0.000 1.546 422 Y CB 0.239 38.680 38.460 -0.031 0.000 1.248 422 Y HN 0.069 nan 8.280 nan 0.000 0.559 423 K N 3.469 123.540 120.400 -0.549 0.000 3.104 423 K HA -0.274 4.043 4.320 -0.006 0.000 0.285 423 K C 0.803 177.312 176.600 -0.152 0.000 1.136 423 K CA 0.797 56.833 56.287 -0.417 0.000 0.842 423 K CB -1.913 30.275 32.500 -0.521 0.000 1.217 423 K HN 1.252 nan 8.250 nan 0.000 0.467 424 G N 0.702 109.437 108.800 -0.108 0.000 2.225 424 G HA2 -0.327 3.629 3.960 -0.006 0.000 0.267 424 G HA3 -0.327 3.629 3.960 -0.006 0.000 0.267 424 G C 0.011 174.885 174.900 -0.043 0.000 1.024 424 G CA 0.786 45.871 45.100 -0.024 0.000 0.784 424 G HN 0.327 nan 8.290 nan 0.000 0.507 425 M N 0.018 119.526 119.600 -0.155 0.000 2.063 425 M HA 0.276 4.752 4.480 -0.006 0.000 0.348 425 M C -1.456 174.608 176.300 -0.393 0.000 1.180 425 M CA -2.006 53.042 55.300 -0.419 0.000 1.059 425 M CB 1.756 34.183 32.600 -0.289 0.000 1.544 425 M HN -0.127 nan 8.290 nan 0.000 0.447 426 P HA 0.018 nan 4.420 nan 0.000 0.233 426 P C 1.101 178.260 177.300 -0.234 0.000 1.167 426 P CA 0.703 63.629 63.100 -0.290 0.000 0.770 426 P CB 0.247 31.784 31.700 -0.273 0.000 0.837 427 G N -0.867 107.737 108.800 -0.326 0.000 3.088 427 G HA2 0.253 4.209 3.960 -0.006 0.000 0.217 427 G HA3 0.253 4.209 3.960 -0.006 0.000 0.217 427 G C 0.686 175.577 174.900 -0.014 0.000 1.159 427 G CA 0.026 45.053 45.100 -0.121 0.000 0.760 427 G HN 0.363 nan 8.290 nan 0.000 0.550 428 G N -0.118 108.624 108.800 -0.098 0.000 2.477 428 G HA2 0.601 4.557 3.960 -0.006 0.000 0.304 428 G HA3 0.601 4.557 3.960 -0.006 0.000 0.304 428 G C -0.738 174.028 174.900 -0.223 0.000 1.175 428 G CA -0.682 44.376 45.100 -0.071 0.000 0.907 428 G HN 0.071 nan 8.290 nan 0.000 0.509 429 R N 0.613 120.935 120.500 -0.297 0.000 2.515 429 R HA 0.326 4.662 4.340 -0.006 0.000 0.291 429 R C -1.189 175.062 176.300 -0.081 0.000 1.046 429 R CA -0.728 55.183 56.100 -0.315 0.000 0.914 429 R CB 1.710 31.576 30.300 -0.723 0.000 1.191 429 R HN 0.688 nan 8.270 nan 0.000 0.435 430 N N 0.652 119.327 118.700 -0.043 0.000 2.405 430 N HA 0.499 5.235 4.740 -0.006 0.000 0.285 430 N C -1.341 174.002 175.510 -0.278 0.000 1.262 430 N CA -0.815 52.119 53.050 -0.193 0.000 0.773 430 N CB 1.894 40.161 38.487 -0.367 0.000 1.490 430 N HN 0.222 nan 8.380 nan 0.000 0.486 431 L N 1.796 122.689 121.223 -0.550 0.000 2.289 431 L HA 0.525 4.861 4.340 -0.006 0.000 0.285 431 L C -1.642 174.778 176.870 -0.750 0.000 1.049 431 L CA -0.142 54.409 54.840 -0.482 0.000 0.804 431 L CB 0.095 41.879 42.059 -0.458 0.000 1.195 431 L HN 0.511 nan 8.230 nan 0.000 0.428 432 Y N 3.586 123.550 120.300 -0.561 0.000 2.536 432 Y HA 0.555 5.100 4.550 -0.008 0.000 0.347 432 Y C -0.371 175.235 175.900 -0.490 0.000 1.000 432 Y CA -0.794 56.919 58.100 -0.644 0.000 1.051 432 Y CB 1.841 39.623 38.460 -1.130 0.000 1.259 432 Y HN 0.431 nan 8.280 nan 0.000 0.468 433 K N 3.446 123.721 120.400 -0.208 0.000 2.463 433 K HA 0.527 4.843 4.320 -0.006 0.000 0.255 433 K C -1.768 174.779 176.600 -0.089 0.000 0.942 433 K CA -0.338 55.739 56.287 -0.351 0.000 0.814 433 K CB 0.965 33.157 32.500 -0.513 0.000 1.122 433 K HN 0.753 nan 8.250 nan 0.000 0.425 434 I N 3.889 124.455 120.570 -0.008 0.000 2.315 434 I HA 0.119 4.286 4.170 -0.006 0.000 0.291 434 I C 0.392 176.591 176.117 0.137 0.000 1.006 434 I CA -0.623 60.746 61.300 0.114 0.000 1.265 434 I CB 1.672 39.752 38.000 0.133 0.000 1.387 434 I HN 0.548 nan 8.210 nan 0.000 0.475 435 Q N 5.465 125.361 119.800 0.160 0.000 2.300 435 Q HA 0.070 4.406 4.340 -0.006 0.000 0.262 435 Q C 0.412 176.396 176.000 -0.027 0.000 1.109 435 Q CA -0.466 55.385 55.803 0.080 0.000 0.905 435 Q CB 0.830 29.624 28.738 0.093 0.000 1.280 435 Q HN 0.624 nan 8.270 nan 0.000 0.426 436 L N 3.278 124.421 121.223 -0.132 0.000 2.353 436 L HA -0.158 4.178 4.340 -0.006 0.000 0.220 436 L C 2.190 179.022 176.870 -0.063 0.000 1.133 436 L CA 1.673 56.467 54.840 -0.077 0.000 0.798 436 L CB -0.481 41.519 42.059 -0.099 0.000 0.922 436 L HN 0.752 nan 8.230 nan 0.000 0.445 437 S N -2.750 112.891 115.700 -0.098 0.000 2.446 437 S HA 0.007 4.473 4.470 -0.006 0.000 0.225 437 S C 0.774 175.328 174.600 -0.077 0.000 1.016 437 S CA 0.310 58.461 58.200 -0.082 0.000 0.943 437 S CB 0.099 63.243 63.200 -0.092 0.000 0.786 437 S HN 0.370 nan 8.310 nan 0.000 0.508 438 D N 0.563 120.918 120.400 -0.074 0.000 2.381 438 D HA 0.200 4.837 4.640 -0.006 0.000 0.245 438 D C 0.340 176.576 176.300 -0.107 0.000 1.297 438 D CA -0.797 53.121 54.000 -0.136 0.000 0.931 438 D CB 0.311 41.038 40.800 -0.122 0.000 1.334 438 D HN 0.237 nan 8.370 nan 0.000 0.535 439 Y N 1.082 121.361 120.300 -0.034 0.000 2.384 439 Y HA -0.109 4.440 4.550 -0.002 0.000 0.289 439 Y C 1.723 177.630 175.900 0.012 0.000 1.152 439 Y CA 1.194 59.287 58.100 -0.012 0.000 1.258 439 Y CB -1.022 37.426 38.460 -0.020 0.000 0.979 439 Y HN 0.127 nan 8.280 nan 0.000 0.549 440 T N -0.042 114.391 114.554 -0.202 0.000 2.803 440 T HA -0.143 4.203 4.350 -0.006 0.000 0.269 440 T C 0.664 175.367 174.700 0.005 0.000 1.052 440 T CA 1.394 63.438 62.100 -0.092 0.000 1.136 440 T CB -0.264 68.476 68.868 -0.213 0.000 0.864 440 T HN 0.173 nan 8.240 nan 0.000 0.467 441 K N 1.726 122.125 120.400 -0.001 0.000 2.310 441 K HA 0.384 4.700 4.320 -0.006 0.000 0.290 441 K C -1.225 175.421 176.600 0.077 0.000 1.077 441 K CA -0.072 56.233 56.287 0.031 0.000 0.922 441 K CB 0.988 33.498 32.500 0.017 0.000 1.057 441 K HN -0.037 nan 8.250 nan 0.000 0.479 442 V N 2.781 122.746 119.914 0.085 0.000 2.638 442 V HA 0.393 4.510 4.120 -0.006 0.000 0.306 442 V C -0.538 175.601 176.094 0.075 0.000 1.052 442 V CA -0.964 61.404 62.300 0.114 0.000 0.885 442 V CB 2.275 34.207 31.823 0.182 0.000 0.999 442 V HN 0.730 nan 8.190 nan 0.000 0.424 443 T N 2.347 116.915 114.554 0.023 0.000 2.797 443 T HA 0.298 4.644 4.350 -0.006 0.000 0.279 443 T C -0.363 174.259 174.700 -0.129 0.000 0.991 443 T CA -0.335 61.735 62.100 -0.050 0.000 0.979 443 T CB 1.417 70.225 68.868 -0.100 0.000 0.943 443 T HN 0.782 nan 8.240 nan 0.000 0.444 444 C N 5.054 124.224 119.300 -0.217 0.000 2.373 444 C HA 0.414 4.870 4.460 -0.006 0.000 0.354 444 C C 1.611 176.303 174.990 -0.496 0.000 1.249 444 C CA -0.620 58.051 59.018 -0.578 0.000 1.784 444 C CB -1.979 25.371 27.740 -0.651 0.000 2.408 444 C HN 0.988 nan 8.230 nan 0.000 0.542 445 L N 4.725 125.617 121.223 -0.551 0.000 2.509 445 L HA 0.091 4.427 4.340 -0.006 0.000 0.222 445 L C 2.120 178.685 176.870 -0.508 0.000 1.123 445 L CA 0.864 55.453 54.840 -0.420 0.000 0.856 445 L CB -0.277 41.567 42.059 -0.358 0.000 0.985 445 L HN 0.871 nan 8.230 nan 0.000 0.456 446 S N -3.177 112.106 115.700 -0.695 0.000 2.589 446 S HA 0.003 4.469 4.470 -0.006 0.000 0.235 446 S C 1.853 176.041 174.600 -0.688 0.000 1.051 446 S CA -0.093 57.578 58.200 -0.882 0.000 0.978 446 S CB -0.310 62.013 63.200 -1.461 0.000 0.929 446 S HN 0.287 nan 8.310 nan 0.000 0.523 447 C N 2.401 121.292 119.300 -0.682 0.000 2.359 447 C HA -0.073 4.384 4.460 -0.006 0.000 0.277 447 C C 2.537 177.247 174.990 -0.466 0.000 1.192 447 C CA 1.698 60.256 59.018 -0.766 0.000 1.759 447 C CB -1.170 26.005 27.740 -0.941 0.000 2.038 447 C HN 0.624 nan 8.230 nan 0.000 0.448 448 E N 0.195 120.205 120.200 -0.317 0.000 2.489 448 E HA 0.123 4.469 4.350 -0.006 0.000 0.193 448 E C 1.914 178.461 176.600 -0.088 0.000 1.057 448 E CA -0.025 56.285 56.400 -0.151 0.000 0.866 448 E CB -0.236 29.399 29.700 -0.108 0.000 0.916 448 E HN 0.571 nan 8.360 nan 0.000 0.500 449 L N 0.181 121.342 121.223 -0.103 0.000 2.042 449 L HA -0.114 4.222 4.340 -0.006 0.000 0.210 449 L C 0.920 177.805 176.870 0.025 0.000 1.076 449 L CA 0.920 55.744 54.840 -0.027 0.000 0.749 449 L CB -0.032 42.015 42.059 -0.021 0.000 0.893 449 L HN 0.140 nan 8.230 nan 0.000 0.432 450 N N -1.566 117.164 118.700 0.049 0.000 2.884 450 N HA 0.091 4.827 4.740 -0.006 0.000 0.211 450 N C -2.108 173.429 175.510 0.046 0.000 1.442 450 N CA -0.741 52.334 53.050 0.042 0.000 0.757 450 N CB 0.867 39.378 38.487 0.039 0.000 1.461 450 N HN -0.175 nan 8.380 nan 0.000 0.557 451 P HA -0.150 nan 4.420 nan 0.000 0.217 451 P C 0.704 178.051 177.300 0.079 0.000 1.148 451 P CA 1.339 64.488 63.100 0.081 0.000 0.828 451 P CB 0.792 32.551 31.700 0.099 0.000 0.783 452 E N 0.222 120.450 120.200 0.048 0.000 2.014 452 E HA -0.136 4.210 4.350 -0.006 0.000 0.190 452 E C 2.202 178.809 176.600 0.012 0.000 0.980 452 E CA 0.901 57.321 56.400 0.033 0.000 0.807 452 E CB -0.378 29.334 29.700 0.021 0.000 0.770 452 E HN 0.233 nan 8.360 nan 0.000 0.451 453 R N 0.092 120.586 120.500 -0.011 0.000 2.275 453 R HA 0.109 4.445 4.340 -0.006 0.000 0.199 453 R C -0.196 176.059 176.300 -0.075 0.000 0.989 453 R CA 0.480 56.551 56.100 -0.048 0.000 1.016 453 R CB 0.041 30.302 30.300 -0.064 0.000 0.918 453 R HN -0.002 nan 8.270 nan 0.000 0.473 454 c N 0.878 119.443 118.600 -0.058 0.000 2.478 454 c HA 0.408 4.974 4.570 -0.006 0.000 0.334 454 c C -0.162 173.874 174.090 -0.089 0.000 1.106 454 c CA -0.597 55.639 56.329 -0.154 0.000 1.363 454 c CB 1.436 43.842 42.510 -0.174 0.000 1.941 454 c HN 0.637 nan 8.230 nan 0.000 0.436 455 Q N 0.652 120.388 119.800 -0.106 0.000 2.081 455 Q HA 0.173 4.510 4.340 -0.006 0.000 0.220 455 Q C -0.937 175.076 176.000 0.022 0.000 0.775 455 Q CA 0.118 55.940 55.803 0.032 0.000 0.983 455 Q CB 1.524 30.320 28.738 0.096 0.000 1.188 455 Q HN 0.761 nan 8.270 nan 0.000 0.458 456 Y N 0.451 120.599 120.300 -0.252 0.000 2.332 456 Y HA 0.393 4.939 4.550 -0.006 0.000 0.326 456 Y C -1.488 174.219 175.900 -0.322 0.000 0.978 456 Y CA -0.932 57.060 58.100 -0.180 0.000 1.205 456 Y CB 0.802 39.189 38.460 -0.122 0.000 1.131 456 Y HN -0.092 nan 8.280 nan 0.000 0.462 457 Y N 2.508 122.739 120.300 -0.115 0.000 2.446 457 Y HA 0.602 5.148 4.550 -0.006 0.000 0.345 457 Y C 0.087 175.941 175.900 -0.077 0.000 0.984 457 Y CA -0.673 57.373 58.100 -0.088 0.000 1.058 457 Y CB 2.222 40.590 38.460 -0.153 0.000 1.220 457 Y HN 0.548 nan 8.280 nan 0.000 0.455 458 S N 1.147 116.933 115.700 0.144 0.000 2.677 458 S HA 0.884 5.350 4.470 -0.006 0.000 0.304 458 S C -1.434 173.212 174.600 0.077 0.000 1.108 458 S CA -0.837 57.426 58.200 0.105 0.000 0.944 458 S CB 2.010 65.284 63.200 0.125 0.000 1.127 458 S HN 0.575 nan 8.310 nan 0.000 0.511 459 V N 0.283 120.231 119.914 0.055 0.000 2.971 459 V HA 0.809 4.925 4.120 -0.006 0.000 0.309 459 V C -1.205 174.902 176.094 0.023 0.000 1.130 459 V CA -0.298 61.984 62.300 -0.030 0.000 0.964 459 V CB 2.275 33.972 31.823 -0.209 0.000 1.029 459 V HN 1.120 nan 8.190 nan 0.000 0.427 460 S N 5.485 121.193 115.700 0.012 0.000 2.707 460 S HA 0.705 5.171 4.470 -0.006 0.000 0.312 460 S C -1.149 173.525 174.600 0.122 0.000 1.116 460 S CA -0.366 57.951 58.200 0.195 0.000 1.078 460 S CB 0.474 63.877 63.200 0.340 0.000 0.997 460 S HN 0.509 nan 8.310 nan 0.000 0.477 461 F N 3.054 123.058 119.950 0.090 0.000 2.397 461 F HA 0.438 4.960 4.527 -0.007 0.000 0.331 461 F C 1.318 176.693 175.800 -0.708 0.000 1.090 461 F CA -0.385 57.488 58.000 -0.211 0.000 1.065 461 F CB 1.558 40.436 39.000 -0.203 0.000 1.184 461 F HN 0.623 nan 8.300 nan 0.000 0.499 462 S N 1.986 117.096 115.700 -0.982 0.000 2.600 462 S HA 0.124 4.590 4.470 -0.006 0.000 0.265 462 S C 1.322 175.724 174.600 -0.330 0.000 1.325 462 S CA -0.727 56.779 58.200 -1.158 0.000 1.002 462 S CB 0.994 63.546 63.200 -1.081 0.000 0.921 462 S HN 0.828 nan 8.310 nan 0.000 0.554 463 K N 0.469 120.782 120.400 -0.145 0.000 2.097 463 K HA -0.237 4.080 4.320 -0.006 0.000 0.214 463 K C 0.971 177.565 176.600 -0.009 0.000 1.052 463 K CA 2.273 58.553 56.287 -0.012 0.000 0.932 463 K CB -0.206 32.309 32.500 0.026 0.000 0.716 463 K HN 0.754 nan 8.250 nan 0.000 0.455 464 E N -1.779 118.404 120.200 -0.028 0.000 2.558 464 E HA 0.270 4.616 4.350 -0.006 0.000 0.205 464 E C -0.458 176.115 176.600 -0.045 0.000 1.006 464 E CA 0.563 56.957 56.400 -0.010 0.000 0.961 464 E CB 1.121 30.835 29.700 0.023 0.000 1.044 464 E HN 0.395 nan 8.360 nan 0.000 0.465 465 A N 0.568 123.337 122.820 -0.083 0.000 2.905 465 A HA -0.338 3.978 4.320 -0.006 0.000 0.260 465 A C 1.469 179.042 177.584 -0.019 0.000 1.398 465 A CA 1.425 53.415 52.037 -0.079 0.000 0.840 465 A CB -2.082 16.682 19.000 -0.394 0.000 1.059 465 A HN 0.284 nan 8.150 nan 0.000 0.647 466 K N -1.677 118.672 120.400 -0.085 0.000 2.148 466 K HA 0.052 4.368 4.320 -0.006 0.000 0.204 466 K C 0.287 176.598 176.600 -0.482 0.000 1.050 466 K CA 1.576 57.712 56.287 -0.252 0.000 0.942 466 K CB -0.026 32.324 32.500 -0.250 0.000 0.724 466 K HN 0.703 nan 8.250 nan 0.000 0.446 467 Y N -1.170 119.113 120.300 -0.029 0.000 2.602 467 Y HA 0.332 4.878 4.550 -0.006 0.000 0.342 467 Y C -0.951 174.926 175.900 -0.038 0.000 1.029 467 Y CA -1.370 56.710 58.100 -0.033 0.000 1.080 467 Y CB 1.728 40.209 38.460 0.035 0.000 1.284 467 Y HN -0.041 nan 8.280 nan 0.000 0.485 468 Y N -1.052 119.295 120.300 0.079 0.000 2.519 468 Y HA 0.460 5.006 4.550 -0.007 0.000 0.336 468 Y C -1.272 174.664 175.900 0.060 0.000 1.089 468 Y CA -1.433 56.554 58.100 -0.188 0.000 1.025 468 Y CB 1.343 39.249 38.460 -0.923 0.000 1.318 468 Y HN 0.591 nan 8.280 nan 0.000 0.452 469 Q N 4.103 124.044 119.800 0.235 0.000 2.274 469 Q HA 0.521 4.857 4.340 -0.006 0.000 0.256 469 Q C -1.696 174.395 176.000 0.151 0.000 0.927 469 Q CA -0.671 55.231 55.803 0.166 0.000 0.939 469 Q CB 1.150 29.957 28.738 0.114 0.000 1.201 469 Q HN 0.964 nan 8.270 nan 0.000 0.426 470 L N 4.669 125.999 121.223 0.179 0.000 2.272 470 L HA 0.484 4.820 4.340 -0.006 0.000 0.289 470 L C -0.032 176.873 176.870 0.057 0.000 1.032 470 L CA -0.449 54.478 54.840 0.146 0.000 0.810 470 L CB 1.316 43.477 42.059 0.171 0.000 1.205 470 L HN 0.571 nan 8.230 nan 0.000 0.422 471 R N 3.466 123.958 120.500 -0.013 0.000 2.215 471 R HA 0.329 4.665 4.340 -0.006 0.000 0.336 471 R C -0.956 175.192 176.300 -0.254 0.000 0.996 471 R CA -0.420 55.492 56.100 -0.314 0.000 0.847 471 R CB 1.151 31.311 30.300 -0.233 0.000 1.127 471 R HN 0.681 nan 8.270 nan 0.000 0.465 472 c N 3.782 122.129 118.600 -0.421 0.000 2.273 472 c HA 0.384 4.950 4.570 -0.006 0.000 0.328 472 c C 0.869 174.767 174.090 -0.320 0.000 1.275 472 c CA -0.377 55.655 56.329 -0.494 0.000 1.704 472 c CB 0.691 42.865 42.510 -0.560 0.000 2.326 472 c HN 0.995 nan 8.230 nan 0.000 0.517 473 S N 3.233 118.827 115.700 -0.178 0.000 2.556 473 S HA 0.496 4.962 4.470 -0.006 0.000 0.216 473 S C 0.657 175.225 174.600 -0.053 0.000 0.970 473 S CA 0.504 58.653 58.200 -0.086 0.000 0.912 473 S CB 0.131 63.281 63.200 -0.084 0.000 0.790 473 S HN 1.352 nan 8.310 nan 0.000 0.504 474 G N 1.268 110.021 108.800 -0.077 0.000 2.341 474 G HA2 0.223 4.179 3.960 -0.006 0.000 0.293 474 G HA3 0.223 4.179 3.960 -0.006 0.000 0.293 474 G C -3.058 171.817 174.900 -0.041 0.000 1.298 474 G CA -0.741 44.345 45.100 -0.024 0.000 0.868 474 G HN -0.141 nan 8.290 nan 0.000 0.540 475 P HA 0.137 nan 4.420 nan 0.000 0.220 475 P C 1.549 178.854 177.300 0.008 0.000 1.152 475 P CA 1.580 64.705 63.100 0.041 0.000 0.812 475 P CB 0.061 31.786 31.700 0.041 0.000 0.792 476 G N -0.005 108.737 108.800 -0.096 0.000 2.570 476 G HA2 0.274 4.230 3.960 -0.006 0.000 0.276 476 G HA3 0.274 4.230 3.960 -0.006 0.000 0.276 476 G C -0.473 174.163 174.900 -0.441 0.000 1.346 476 G CA -0.390 44.569 45.100 -0.235 0.000 1.034 476 G HN -0.034 nan 8.290 nan 0.000 0.512 477 L N 1.114 122.004 121.223 -0.556 0.000 2.506 477 L HA 0.182 4.518 4.340 -0.006 0.000 0.281 477 L C -1.636 175.076 176.870 -0.262 0.000 1.228 477 L CA -0.789 53.704 54.840 -0.577 0.000 0.850 477 L CB -0.030 41.801 42.059 -0.379 0.000 1.110 477 L HN 0.239 nan 8.230 nan 0.000 0.496 478 P HA 0.100 nan 4.420 nan 0.000 0.265 478 P C -0.992 176.298 177.300 -0.017 0.000 1.187 478 P CA -0.106 62.968 63.100 -0.044 0.000 0.766 478 P CB 0.537 32.322 31.700 0.143 0.000 0.820 479 L N 4.795 125.931 121.223 -0.144 0.000 2.406 479 L HA 0.445 4.781 4.340 -0.006 0.000 0.272 479 L C -1.745 175.013 176.870 -0.187 0.000 0.980 479 L CA -0.762 54.037 54.840 -0.069 0.000 0.831 479 L CB 0.844 42.860 42.059 -0.072 0.000 1.253 479 L HN 0.267 nan 8.230 nan 0.000 0.406 480 Y N 3.234 123.505 120.300 -0.050 0.000 2.356 480 Y HA 0.653 5.200 4.550 -0.006 0.000 0.334 480 Y C 0.483 176.290 175.900 -0.156 0.000 0.958 480 Y CA -0.556 57.494 58.100 -0.082 0.000 1.196 480 Y CB 1.859 40.247 38.460 -0.120 0.000 1.137 480 Y HN 0.656 nan 8.280 nan 0.000 0.485 481 T N 1.597 116.158 114.554 0.012 0.000 2.907 481 T HA 0.659 5.005 4.350 -0.006 0.000 0.292 481 T C -1.139 173.495 174.700 -0.111 0.000 1.043 481 T CA -0.934 61.116 62.100 -0.085 0.000 1.003 481 T CB 1.807 70.663 68.868 -0.020 0.000 1.084 481 T HN 0.530 nan 8.240 nan 0.000 0.483 482 L N 2.133 123.173 121.223 -0.305 0.000 2.325 482 L HA 0.569 4.906 4.340 -0.006 0.000 0.278 482 L C -0.632 175.931 176.870 -0.513 0.000 1.023 482 L CA -0.835 53.857 54.840 -0.246 0.000 0.811 482 L CB 1.223 43.175 42.059 -0.178 0.000 1.249 482 L HN 0.813 nan 8.230 nan 0.000 0.431 483 H N 1.641 120.509 119.070 -0.337 0.000 2.851 483 H HA 0.183 4.735 4.556 -0.006 0.000 0.372 483 H C -0.857 174.258 175.328 -0.355 0.000 1.158 483 H CA -0.633 55.099 56.048 -0.526 0.000 1.159 483 H CB 2.445 31.505 29.762 -1.170 0.000 1.757 483 H HN 0.474 nan 8.280 nan 0.000 0.546 484 S N 1.009 116.685 115.700 -0.039 0.000 2.475 484 S HA 0.078 4.544 4.470 -0.006 0.000 0.281 484 S C 1.073 175.655 174.600 -0.030 0.000 1.198 484 S CA -0.249 57.960 58.200 0.015 0.000 1.063 484 S CB 0.678 63.914 63.200 0.061 0.000 0.972 484 S HN 0.700 nan 8.310 nan 0.000 0.486 485 S N 3.803 119.500 115.700 -0.003 0.000 2.575 485 S HA 0.024 4.491 4.470 -0.006 0.000 0.215 485 S C 1.446 176.092 174.600 0.078 0.000 0.966 485 S CA 0.240 58.560 58.200 0.199 0.000 0.911 485 S CB 0.069 63.467 63.200 0.329 0.000 0.780 485 S HN 0.653 nan 8.310 nan 0.000 0.514 486 V N 3.092 122.998 119.914 -0.013 0.000 2.626 486 V HA -0.056 4.060 4.120 -0.006 0.000 0.252 486 V C 1.183 177.289 176.094 0.020 0.000 1.067 486 V CA 1.926 64.226 62.300 -0.000 0.000 1.081 486 V CB -0.478 31.321 31.823 -0.040 0.000 0.686 486 V HN 0.902 nan 8.190 nan 0.000 0.468 487 N N -2.514 116.197 118.700 0.017 0.000 2.039 487 N HA 0.046 4.782 4.740 -0.006 0.000 0.228 487 N C -0.176 175.348 175.510 0.022 0.000 1.369 487 N CA 0.503 53.562 53.050 0.014 0.000 0.806 487 N CB -0.054 38.441 38.487 0.013 0.000 1.190 487 N HN 0.381 nan 8.380 nan 0.000 0.506 488 D N 0.777 121.213 120.400 0.060 0.000 2.800 488 D HA -0.180 4.456 4.640 -0.006 0.000 0.232 488 D C -0.493 175.857 176.300 0.083 0.000 1.137 488 D CA 0.916 54.982 54.000 0.111 0.000 0.718 488 D CB -1.332 39.519 40.800 0.084 0.000 1.084 488 D HN 0.773 nan 8.370 nan 0.000 0.432 489 K N -0.262 120.170 120.400 0.053 0.000 2.185 489 K HA 0.525 4.841 4.320 -0.006 0.000 0.271 489 K C 0.683 177.304 176.600 0.034 0.000 1.013 489 K CA -0.425 55.885 56.287 0.039 0.000 0.943 489 K CB 1.236 33.743 32.500 0.012 0.000 0.998 489 K HN -0.022 nan 8.250 nan 0.000 0.468 490 G N 3.400 112.203 108.800 0.004 0.000 2.365 490 G HA2 0.200 4.157 3.960 -0.006 0.000 0.293 490 G HA3 0.200 4.157 3.960 -0.006 0.000 0.293 490 G C 0.476 175.258 174.900 -0.196 0.000 1.128 490 G CA -0.741 44.262 45.100 -0.162 0.000 0.971 490 G HN 0.656 nan 8.290 nan 0.000 0.422 491 L N 2.062 123.115 121.223 -0.283 0.000 2.013 491 L HA 0.270 4.607 4.340 -0.006 0.000 0.204 491 L C 1.685 178.455 176.870 -0.166 0.000 1.081 491 L CA 0.997 55.735 54.840 -0.171 0.000 0.751 491 L CB -0.238 41.741 42.059 -0.133 0.000 0.901 491 L HN 0.691 nan 8.230 nan 0.000 0.440 492 R N -1.366 118.999 120.500 -0.225 0.000 2.716 492 R HA 0.468 4.804 4.340 -0.006 0.000 0.271 492 R C -1.631 174.541 176.300 -0.214 0.000 1.028 492 R CA -0.825 55.168 56.100 -0.177 0.000 0.883 492 R CB 1.705 31.930 30.300 -0.124 0.000 1.250 492 R HN -0.219 nan 8.270 nan 0.000 0.465 493 V N 3.298 123.113 119.914 -0.165 0.000 2.385 493 V HA 0.160 4.276 4.120 -0.006 0.000 0.269 493 V C 1.287 177.240 176.094 -0.236 0.000 1.043 493 V CA -0.341 61.861 62.300 -0.162 0.000 0.906 493 V CB 0.978 32.743 31.823 -0.097 0.000 0.995 493 V HN 0.656 nan 8.190 nan 0.000 0.467 494 L N 2.838 123.840 121.223 -0.369 0.000 2.162 494 L HA 0.264 4.601 4.340 -0.006 0.000 0.205 494 L C 0.754 177.282 176.870 -0.571 0.000 1.086 494 L CA 0.758 55.141 54.840 -0.762 0.000 0.778 494 L CB 0.186 41.425 42.059 -1.368 0.000 0.928 494 L HN 0.655 nan 8.230 nan 0.000 0.446 495 E N -0.153 119.907 120.200 -0.234 0.000 2.406 495 E HA 0.084 4.430 4.350 -0.006 0.000 0.297 495 E C -1.179 175.472 176.600 0.086 0.000 0.917 495 E CA -0.276 56.104 56.400 -0.033 0.000 0.795 495 E CB 1.043 30.716 29.700 -0.046 0.000 1.285 495 E HN 0.141 nan 8.360 nan 0.000 0.400 496 D N 3.406 123.836 120.400 0.050 0.000 2.503 496 D HA 0.124 4.760 4.640 -0.006 0.000 0.218 496 D C -0.319 176.003 176.300 0.037 0.000 1.183 496 D CA -0.195 53.830 54.000 0.042 0.000 0.827 496 D CB -0.057 40.746 40.800 0.005 0.000 1.034 496 D HN 0.462 nan 8.370 nan 0.000 0.510 497 N N 0.642 119.376 118.700 0.057 0.000 2.714 497 N HA -0.218 4.518 4.740 -0.006 0.000 0.250 497 N C 1.017 176.548 175.510 0.034 0.000 1.117 497 N CA 0.960 54.042 53.050 0.053 0.000 0.719 497 N CB -1.468 37.050 38.487 0.051 0.000 1.081 497 N HN 0.487 nan 8.380 nan 0.000 0.557 498 S N -1.102 114.615 115.700 0.029 0.000 2.419 498 S HA -0.075 4.391 4.470 -0.006 0.000 0.235 498 S C 2.099 176.722 174.600 0.039 0.000 1.019 498 S CA 1.033 59.248 58.200 0.024 0.000 0.982 498 S CB -0.129 63.083 63.200 0.019 0.000 0.789 498 S HN 0.528 nan 8.310 nan 0.000 0.490 499 A N 2.185 125.035 122.820 0.050 0.000 1.858 499 A HA 0.031 4.347 4.320 -0.006 0.000 0.216 499 A C 2.232 179.867 177.584 0.085 0.000 1.190 499 A CA 1.663 53.737 52.037 0.061 0.000 0.617 499 A CB -0.975 18.060 19.000 0.059 0.000 0.827 499 A HN 0.534 nan 8.150 nan 0.000 0.443 500 L N 0.018 121.300 121.223 0.098 0.000 2.131 500 L HA -0.148 4.188 4.340 -0.006 0.000 0.210 500 L C 1.894 178.834 176.870 0.117 0.000 1.092 500 L CA 2.503 57.430 54.840 0.144 0.000 0.759 500 L CB -0.573 41.578 42.059 0.152 0.000 0.903 500 L HN 0.451 nan 8.230 nan 0.000 0.435 501 D N -0.622 119.813 120.400 0.059 0.000 2.178 501 D HA -0.179 4.457 4.640 -0.006 0.000 0.201 501 D C 1.885 178.216 176.300 0.052 0.000 0.980 501 D CA 0.758 54.777 54.000 0.030 0.000 0.842 501 D CB 0.257 41.056 40.800 -0.000 0.000 0.948 501 D HN 0.274 nan 8.370 nan 0.000 0.472 502 K N 0.026 120.465 120.400 0.065 0.000 2.097 502 K HA -0.038 4.278 4.320 -0.006 0.000 0.205 502 K C 2.237 178.897 176.600 0.100 0.000 1.050 502 K CA 0.602 56.930 56.287 0.069 0.000 0.938 502 K CB -0.280 32.257 32.500 0.062 0.000 0.718 502 K HN 0.355 nan 8.250 nan 0.000 0.442 503 M N -0.078 119.611 119.600 0.148 0.000 2.193 503 M HA -0.074 4.403 4.480 -0.006 0.000 0.265 503 M C 1.722 178.158 176.300 0.228 0.000 1.071 503 M CA 0.839 56.283 55.300 0.241 0.000 1.140 503 M CB -0.222 32.593 32.600 0.358 0.000 1.369 503 M HN -0.066 nan 8.290 nan 0.000 0.423 504 L N 0.946 122.254 121.223 0.141 0.000 2.456 504 L HA -0.124 4.213 4.340 -0.006 0.000 0.224 504 L C 2.457 179.345 176.870 0.030 0.000 1.148 504 L CA 1.534 56.390 54.840 0.026 0.000 0.825 504 L CB -1.188 40.882 42.059 0.019 0.000 0.937 504 L HN 0.418 nan 8.230 nan 0.000 0.450 505 Q N -0.382 119.451 119.800 0.055 0.000 2.096 505 Q HA -0.256 4.080 4.340 -0.006 0.000 0.204 505 Q C 2.048 178.079 176.000 0.052 0.000 0.982 505 Q CA 1.868 57.700 55.803 0.047 0.000 0.850 505 Q CB -0.081 28.688 28.738 0.052 0.000 0.901 505 Q HN 0.604 nan 8.270 nan 0.000 0.422 506 N N -0.278 118.464 118.700 0.070 0.000 2.250 506 N HA -0.046 4.690 4.740 -0.006 0.000 0.181 506 N C -0.053 175.496 175.510 0.065 0.000 1.017 506 N CA 0.265 53.360 53.050 0.075 0.000 0.866 506 N CB 0.342 38.888 38.487 0.099 0.000 0.985 506 N HN 0.021 nan 8.380 nan 0.000 0.429 507 V N 2.775 122.713 119.914 0.040 0.000 2.655 507 V HA -0.016 4.100 4.120 -0.006 0.000 0.300 507 V C 0.387 176.486 176.094 0.009 0.000 1.044 507 V CA 0.160 62.466 62.300 0.011 0.000 1.095 507 V CB 1.236 33.000 31.823 -0.098 0.000 0.952 507 V HN 0.250 nan 8.190 nan 0.000 0.485 508 Q N 4.895 124.708 119.800 0.022 0.000 2.348 508 Q HA 0.243 4.579 4.340 -0.006 0.000 0.251 508 Q C -0.450 175.519 176.000 -0.051 0.000 1.113 508 Q CA -0.023 55.772 55.803 -0.012 0.000 0.902 508 Q CB 0.504 29.243 28.738 0.002 0.000 1.333 508 Q HN 0.540 nan 8.270 nan 0.000 0.457 509 M N 4.311 123.866 119.600 -0.074 0.000 2.367 509 M HA 0.424 4.900 4.480 -0.006 0.000 0.339 509 M C -1.999 174.221 176.300 -0.132 0.000 1.177 509 M CA -2.424 52.819 55.300 -0.095 0.000 1.068 509 M CB 0.769 33.329 32.600 -0.067 0.000 1.602 509 M HN 0.329 nan 8.290 nan 0.000 0.457 510 P HA 0.224 nan 4.420 nan 0.000 0.275 510 P C -0.953 176.256 177.300 -0.152 0.000 1.266 510 P CA -0.322 62.666 63.100 -0.186 0.000 0.793 510 P CB 0.421 31.990 31.700 -0.218 0.000 1.074 511 S N -1.742 113.855 115.700 -0.173 0.000 2.526 511 S HA 0.501 4.967 4.470 -0.006 0.000 0.293 511 S C -0.497 174.013 174.600 -0.150 0.000 1.092 511 S CA -0.946 57.177 58.200 -0.128 0.000 0.980 511 S CB 2.004 65.138 63.200 -0.109 0.000 1.048 511 S HN 0.463 nan 8.310 nan 0.000 0.483 512 K N 1.135 121.481 120.400 -0.090 0.000 2.118 512 K HA 0.387 4.703 4.320 -0.006 0.000 0.264 512 K C -0.879 175.682 176.600 -0.066 0.000 1.000 512 K CA -0.581 55.659 56.287 -0.079 0.000 0.929 512 K CB 0.750 33.230 32.500 -0.033 0.000 1.021 512 K HN 0.721 nan 8.250 nan 0.000 0.463 513 K N 5.352 125.716 120.400 -0.060 0.000 2.668 513 K HA 0.221 4.537 4.320 -0.006 0.000 0.246 513 K C -1.608 174.966 176.600 -0.043 0.000 0.976 513 K CA -0.534 55.727 56.287 -0.043 0.000 0.902 513 K CB 0.931 33.392 32.500 -0.065 0.000 1.172 513 K HN 0.606 nan 8.250 nan 0.000 0.452 514 L N 4.000 125.221 121.223 -0.005 0.000 2.289 514 L HA 0.483 4.819 4.340 -0.006 0.000 0.285 514 L C -0.705 176.169 176.870 0.008 0.000 1.049 514 L CA 0.212 55.074 54.840 0.037 0.000 0.804 514 L CB 1.129 43.280 42.059 0.153 0.000 1.195 514 L HN 0.851 nan 8.230 nan 0.000 0.428 515 D N 2.488 122.761 120.400 -0.212 0.000 2.792 515 D HA 0.377 5.013 4.640 -0.006 0.000 0.335 515 D C -1.614 174.342 176.300 -0.572 0.000 1.353 515 D CA -0.101 53.664 54.000 -0.392 0.000 0.839 515 D CB 2.091 42.614 40.800 -0.462 0.000 1.396 515 D HN 0.244 nan 8.370 nan 0.000 0.479 516 F N 0.011 119.613 119.950 -0.581 0.000 2.640 516 F HA 0.794 5.317 4.527 -0.006 0.000 0.324 516 F C -0.755 175.095 175.800 0.084 0.000 1.077 516 F CA -0.978 56.759 58.000 -0.439 0.000 0.965 516 F CB 0.957 39.252 39.000 -1.175 0.000 1.351 516 F HN 0.269 nan 8.300 nan 0.000 0.487 517 I N -0.054 120.740 120.570 0.373 0.000 2.934 517 I HA 0.612 4.778 4.170 -0.006 0.000 0.306 517 I C -1.379 174.955 176.117 0.362 0.000 1.110 517 I CA -1.252 60.213 61.300 0.274 0.000 1.019 517 I CB 2.366 40.489 38.000 0.205 0.000 1.227 517 I HN 0.467 nan 8.210 nan 0.000 0.434 518 I N 4.825 125.547 120.570 0.253 0.000 2.304 518 I HA 0.419 4.585 4.170 -0.006 0.000 0.291 518 I C -0.695 175.546 176.117 0.207 0.000 1.018 518 I CA -0.367 61.068 61.300 0.225 0.000 1.260 518 I CB 1.036 39.131 38.000 0.158 0.000 1.390 518 I HN 0.409 nan 8.210 nan 0.000 0.475 519 L N 6.723 128.126 121.223 0.299 0.000 2.362 519 L HA 0.454 4.790 4.340 -0.006 0.000 0.275 519 L C 0.535 177.534 176.870 0.216 0.000 0.998 519 L CA -0.292 54.702 54.840 0.257 0.000 0.820 519 L CB 0.977 43.237 42.059 0.335 0.000 1.270 519 L HN 0.446 nan 8.230 nan 0.000 0.415 520 N N 3.164 121.933 118.700 0.116 0.000 2.701 520 N HA -0.255 4.481 4.740 -0.006 0.000 0.252 520 N C -0.007 175.541 175.510 0.063 0.000 1.002 520 N CA 1.335 54.429 53.050 0.074 0.000 0.758 520 N CB -0.648 37.875 38.487 0.061 0.000 0.937 520 N HN 0.818 nan 8.380 nan 0.000 0.538 521 E N -3.323 116.913 120.200 0.059 0.000 2.791 521 E HA -0.230 4.116 4.350 -0.006 0.000 0.271 521 E C -0.706 175.893 176.600 -0.003 0.000 1.044 521 E CA 1.185 57.602 56.400 0.030 0.000 0.814 521 E CB -1.513 28.196 29.700 0.015 0.000 1.400 521 E HN 0.416 nan 8.360 nan 0.000 0.423 522 T N 0.435 114.986 114.554 -0.005 0.000 2.841 522 T HA 0.368 4.714 4.350 -0.006 0.000 0.283 522 T C -0.090 174.459 174.700 -0.251 0.000 1.000 522 T CA -0.845 61.158 62.100 -0.161 0.000 0.977 522 T CB 1.737 70.461 68.868 -0.241 0.000 0.979 522 T HN 0.001 nan 8.240 nan 0.000 0.446 523 K N 1.837 122.040 120.400 -0.328 0.000 2.270 523 K HA 0.508 4.824 4.320 -0.006 0.000 0.276 523 K C -1.107 175.208 176.600 -0.475 0.000 1.023 523 K CA -0.115 56.001 56.287 -0.284 0.000 0.955 523 K CB 0.493 32.756 32.500 -0.394 0.000 0.975 523 K HN 0.400 nan 8.250 nan 0.000 0.471 524 F N 1.446 121.459 119.950 0.105 0.000 2.557 524 F HA 0.297 4.821 4.527 -0.005 0.000 0.316 524 F C -0.833 175.055 175.800 0.146 0.000 1.141 524 F CA -0.751 57.330 58.000 0.136 0.000 0.922 524 F CB 1.024 40.126 39.000 0.170 0.000 1.194 524 F HN 0.439 nan 8.300 nan 0.000 0.443 525 W N 3.558 125.017 121.300 0.265 0.000 2.375 525 W HA 0.583 5.239 4.660 -0.008 0.000 0.336 525 W C -0.723 175.974 176.519 0.297 0.000 1.160 525 W CA -0.558 56.947 57.345 0.266 0.000 1.266 525 W CB 0.938 30.487 29.460 0.148 0.000 1.195 525 W HN 0.438 nan 8.180 nan 0.000 0.599 526 Y N -0.351 120.278 120.300 0.549 0.000 2.609 526 Y HA 0.618 5.165 4.550 -0.006 0.000 0.336 526 Y C -1.121 175.020 175.900 0.401 0.000 1.129 526 Y CA -1.868 56.556 58.100 0.540 0.000 1.040 526 Y CB 1.009 39.974 38.460 0.842 0.000 1.310 526 Y HN 0.584 nan 8.280 nan 0.000 0.460 527 Q N 2.660 122.700 119.800 0.399 0.000 2.423 527 Q HA 0.782 5.118 4.340 -0.006 0.000 0.278 527 Q C -1.643 174.495 176.000 0.231 0.000 1.097 527 Q CA -1.166 54.753 55.803 0.194 0.000 0.809 527 Q CB 3.381 32.197 28.738 0.129 0.000 1.391 527 Q HN 0.843 nan 8.270 nan 0.000 0.428 528 M N 1.914 121.570 119.600 0.094 0.000 2.535 528 M HA 0.501 4.977 4.480 -0.006 0.000 0.314 528 M C -1.165 175.061 176.300 -0.123 0.000 1.153 528 M CA -1.058 54.217 55.300 -0.042 0.000 0.924 528 M CB 2.177 34.705 32.600 -0.121 0.000 1.710 528 M HN 0.580 nan 8.290 nan 0.000 0.451 529 I N 4.389 124.860 120.570 -0.164 0.000 2.328 529 I HA 0.414 4.580 4.170 -0.006 0.000 0.287 529 I C -0.738 175.189 176.117 -0.316 0.000 1.012 529 I CA -0.359 60.816 61.300 -0.207 0.000 1.195 529 I CB 0.432 38.327 38.000 -0.175 0.000 1.350 529 I HN 0.612 nan 8.210 nan 0.000 0.464 530 L N 8.055 129.042 121.223 -0.393 0.000 2.307 530 L HA 0.486 4.822 4.340 -0.006 0.000 0.284 530 L C -2.242 174.361 176.870 -0.444 0.000 1.023 530 L CA -1.780 52.698 54.840 -0.604 0.000 0.810 530 L CB 1.690 43.219 42.059 -0.883 0.000 1.231 530 L HN 0.257 nan 8.230 nan 0.000 0.423 531 P HA 0.082 nan 4.420 nan 0.000 0.268 531 P C -2.482 174.694 177.300 -0.207 0.000 1.208 531 P CA -0.935 62.005 63.100 -0.266 0.000 0.777 531 P CB -0.214 31.351 31.700 -0.224 0.000 0.875 532 P HA -0.086 nan 4.420 nan 0.000 0.265 532 P C -0.277 176.779 177.300 -0.407 0.000 1.187 532 P CA 0.965 63.797 63.100 -0.447 0.000 0.766 532 P CB -0.318 31.030 31.700 -0.587 0.000 0.820 533 H N -0.596 118.510 119.070 0.059 0.000 2.770 533 H HA -0.212 4.341 4.556 -0.006 0.000 0.309 533 H C 0.130 175.530 175.328 0.121 0.000 1.206 533 H CA -0.105 55.987 56.048 0.073 0.000 1.147 533 H CB -2.472 27.325 29.762 0.058 0.000 1.422 533 H HN 0.357 nan 8.280 nan 0.000 0.420 534 F N 2.499 122.433 119.950 -0.026 0.000 2.629 534 F HA 0.143 4.666 4.527 -0.007 0.000 0.377 534 F C 0.613 176.428 175.800 0.025 0.000 1.101 534 F CA -0.008 57.940 58.000 -0.087 0.000 1.301 534 F CB 0.576 39.430 39.000 -0.244 0.000 1.062 534 F HN 0.255 nan 8.300 nan 0.000 0.583 535 D N 6.260 126.371 120.400 -0.482 0.000 2.440 535 D HA 0.141 4.777 4.640 -0.006 0.000 0.252 535 D C 0.546 176.498 176.300 -0.581 0.000 1.180 535 D CA -0.376 53.397 54.000 -0.378 0.000 0.894 535 D CB 1.044 41.790 40.800 -0.090 0.000 1.111 535 D HN 0.660 nan 8.370 nan 0.000 0.544 536 K N 0.845 120.855 120.400 -0.649 0.000 2.362 536 K HA -0.111 4.205 4.320 -0.006 0.000 0.202 536 K C 1.452 178.031 176.600 -0.034 0.000 1.045 536 K CA 1.205 57.265 56.287 -0.380 0.000 0.936 536 K CB 0.234 32.638 32.500 -0.160 0.000 0.747 536 K HN 0.390 nan 8.250 nan 0.000 0.467 537 S N -0.460 115.195 115.700 -0.075 0.000 2.517 537 S HA 0.104 4.570 4.470 -0.006 0.000 0.214 537 S C 0.641 175.213 174.600 -0.047 0.000 0.991 537 S CA -0.266 57.918 58.200 -0.027 0.000 0.906 537 S CB 0.344 63.521 63.200 -0.038 0.000 0.789 537 S HN 0.038 nan 8.310 nan 0.000 0.513 538 K N 1.767 122.113 120.400 -0.091 0.000 2.154 538 K HA 0.269 4.585 4.320 -0.006 0.000 0.264 538 K C -0.592 175.908 176.600 -0.167 0.000 1.008 538 K CA -0.371 55.800 56.287 -0.194 0.000 0.937 538 K CB 0.524 32.810 32.500 -0.358 0.000 1.002 538 K HN 0.035 nan 8.250 nan 0.000 0.469 539 K N 3.265 123.530 120.400 -0.225 0.000 2.253 539 K HA 0.200 4.517 4.320 -0.006 0.000 0.277 539 K C -0.926 175.549 176.600 -0.209 0.000 1.053 539 K CA -0.318 55.898 56.287 -0.117 0.000 0.892 539 K CB 0.636 33.080 32.500 -0.094 0.000 1.102 539 K HN 0.403 nan 8.250 nan 0.000 0.469 540 Y N 3.296 123.633 120.300 0.061 0.000 2.387 540 Y HA 0.277 4.823 4.550 -0.006 0.000 0.336 540 Y C -1.777 174.072 175.900 -0.084 0.000 1.067 540 Y CA -2.283 55.833 58.100 0.027 0.000 1.114 540 Y CB 1.298 39.843 38.460 0.140 0.000 1.208 540 Y HN 0.464 nan 8.280 nan 0.000 0.458 541 P HA 0.222 nan 4.420 nan 0.000 0.274 541 P C -1.173 175.988 177.300 -0.232 0.000 1.231 541 P CA -0.226 62.625 63.100 -0.415 0.000 0.790 541 P CB 1.591 32.795 31.700 -0.827 0.000 0.951 542 L N 2.436 123.518 121.223 -0.236 0.000 2.431 542 L HA 0.573 4.909 4.340 -0.006 0.000 0.266 542 L C -1.607 175.434 176.870 0.286 0.000 0.978 542 L CA -1.113 53.754 54.840 0.045 0.000 0.822 542 L CB 2.000 44.090 42.059 0.051 0.000 1.310 542 L HN 0.148 nan 8.230 nan 0.000 0.409 543 L N 5.101 126.508 121.223 0.307 0.000 2.305 543 L HA 0.541 4.877 4.340 -0.006 0.000 0.284 543 L C -1.367 175.723 176.870 0.367 0.000 1.013 543 L CA -0.373 54.706 54.840 0.399 0.000 0.819 543 L CB 1.565 43.806 42.059 0.304 0.000 1.227 543 L HN 0.653 nan 8.230 nan 0.000 0.417 544 L N 4.984 126.477 121.223 0.449 0.000 2.278 544 L HA 0.387 4.723 4.340 -0.006 0.000 0.287 544 L C -0.447 176.667 176.870 0.406 0.000 1.072 544 L CA 0.374 55.464 54.840 0.418 0.000 0.819 544 L CB 0.533 42.877 42.059 0.474 0.000 1.176 544 L HN 0.620 nan 8.230 nan 0.000 0.435 545 D N 4.195 124.816 120.400 0.368 0.000 2.317 545 D HA 0.229 4.865 4.640 -0.006 0.000 0.234 545 D C -1.128 175.285 176.300 0.188 0.000 1.112 545 D CA 0.036 54.217 54.000 0.301 0.000 0.840 545 D CB 1.444 42.478 40.800 0.389 0.000 1.078 545 D HN 0.335 nan 8.370 nan 0.000 0.486 546 V N 6.624 126.561 119.914 0.039 0.000 2.540 546 V HA 0.317 4.433 4.120 -0.006 0.000 0.302 546 V C -0.795 175.414 176.094 0.193 0.000 1.035 546 V CA -0.485 61.902 62.300 0.144 0.000 0.873 546 V CB 1.583 33.486 31.823 0.133 0.000 0.992 546 V HN 0.583 nan 8.190 nan 0.000 0.428 547 Y N 6.018 126.394 120.300 0.127 0.000 2.972 547 Y HA 0.542 5.089 4.550 -0.006 0.000 0.211 547 Y C 1.519 177.545 175.900 0.210 0.000 0.969 547 Y CA 1.194 59.390 58.100 0.159 0.000 1.574 547 Y CB -0.028 38.515 38.460 0.139 0.000 1.364 547 Y HN 1.269 nan 8.280 nan 0.000 0.467 548 A N 0.609 123.460 122.820 0.052 0.000 3.021 548 A HA -0.131 4.186 4.320 -0.006 0.000 0.257 548 A C 1.056 178.473 177.584 -0.280 0.000 1.277 548 A CA 1.067 53.087 52.037 -0.028 0.000 1.012 548 A CB -2.515 16.609 19.000 0.208 0.000 1.147 548 A HN 1.020 nan 8.150 nan 0.000 0.861 549 G N -0.848 107.539 108.800 -0.689 0.000 2.599 549 G HA2 0.497 4.453 3.960 -0.006 0.000 0.264 549 G HA3 0.497 4.453 3.960 -0.006 0.000 0.264 549 G C -2.280 172.167 174.900 -0.756 0.000 1.200 549 G CA -0.890 43.488 45.100 -1.203 0.000 0.896 549 G HN 0.264 nan 8.290 nan 0.000 0.536 550 P HA 0.036 nan 4.420 nan 0.000 0.261 550 P C 0.637 177.687 177.300 -0.417 0.000 1.173 550 P CA 0.210 62.939 63.100 -0.618 0.000 0.760 550 P CB 0.570 31.516 31.700 -1.256 0.000 0.783 551 C N 2.405 121.539 119.300 -0.277 0.000 4.392 551 C HA -0.162 4.294 4.460 -0.006 0.000 0.280 551 C C 1.024 175.932 174.990 -0.136 0.000 1.381 551 C CA 1.154 60.008 59.018 -0.274 0.000 1.871 551 C CB -2.697 24.773 27.740 -0.450 0.000 1.323 551 C HN 0.800 nan 8.230 nan 0.000 0.772 552 S N 0.084 115.620 115.700 -0.273 0.000 2.603 552 S HA 0.511 4.978 4.470 -0.006 0.000 0.268 552 S C -0.567 174.001 174.600 -0.052 0.000 1.317 552 S CA 0.238 58.209 58.200 -0.381 0.000 1.012 552 S CB 1.582 64.136 63.200 -1.077 0.000 0.926 552 S HN 0.825 nan 8.310 nan 0.000 0.539 553 Q N 0.101 119.966 119.800 0.109 0.000 2.334 553 Q HA 0.330 4.666 4.340 -0.006 0.000 0.249 553 Q C -0.822 175.300 176.000 0.203 0.000 0.909 553 Q CA -0.574 55.348 55.803 0.199 0.000 0.823 553 Q CB 0.965 29.915 28.738 0.353 0.000 1.353 553 Q HN 0.686 nan 8.270 nan 0.000 0.433 554 K N 1.089 121.598 120.400 0.181 0.000 2.373 554 K HA 0.341 4.657 4.320 -0.006 0.000 0.200 554 K C -0.415 176.301 176.600 0.193 0.000 1.054 554 K CA 0.317 56.728 56.287 0.207 0.000 1.065 554 K CB 1.584 34.227 32.500 0.239 0.000 0.886 554 K HN 0.496 nan 8.250 nan 0.000 0.546 555 A N 2.785 125.717 122.820 0.188 0.000 2.316 555 A HA 0.416 4.733 4.320 -0.006 0.000 0.324 555 A C -0.769 176.891 177.584 0.127 0.000 1.375 555 A CA -0.532 51.619 52.037 0.191 0.000 0.882 555 A CB 0.081 19.247 19.000 0.276 0.000 1.152 555 A HN 0.223 nan 8.150 nan 0.000 0.512 556 D N -0.062 120.398 120.400 0.099 0.000 2.798 556 D HA 0.461 5.097 4.640 -0.006 0.000 0.308 556 D C 0.421 176.759 176.300 0.064 0.000 1.187 556 D CA 0.283 54.334 54.000 0.084 0.000 1.033 556 D CB 0.350 41.214 40.800 0.108 0.000 1.445 556 D HN 0.155 nan 8.370 nan 0.000 0.550 557 T N -2.440 112.174 114.554 0.101 0.000 3.176 557 T HA 0.335 4.681 4.350 -0.006 0.000 0.263 557 T C 0.283 174.989 174.700 0.010 0.000 1.021 557 T CA -0.405 61.748 62.100 0.087 0.000 0.905 557 T CB -0.668 68.286 68.868 0.143 0.000 1.057 557 T HN 0.249 nan 8.240 nan 0.000 0.558 558 V N 2.720 122.542 119.914 -0.155 0.000 2.614 558 V HA 0.340 4.456 4.120 -0.006 0.000 0.291 558 V C 0.084 176.150 176.094 -0.047 0.000 1.049 558 V CA -0.993 61.162 62.300 -0.242 0.000 1.038 558 V CB 0.137 31.694 31.823 -0.443 0.000 0.980 558 V HN 0.596 nan 8.190 nan 0.000 0.481 559 F N 6.612 126.481 119.950 -0.135 0.000 2.438 559 F HA 0.513 5.036 4.527 -0.006 0.000 0.356 559 F C 0.503 176.254 175.800 -0.082 0.000 1.099 559 F CA -0.168 57.776 58.000 -0.094 0.000 1.185 559 F CB 0.229 39.183 39.000 -0.076 0.000 1.115 559 F HN 0.419 nan 8.300 nan 0.000 0.526 560 R N 6.800 126.886 120.500 -0.691 0.000 2.621 560 R HA 0.507 4.843 4.340 -0.006 0.000 0.292 560 R C -1.470 174.382 176.300 -0.747 0.000 0.969 560 R CA -1.023 54.747 56.100 -0.549 0.000 0.887 560 R CB 2.030 32.175 30.300 -0.259 0.000 1.180 560 R HN 0.689 nan 8.270 nan 0.000 0.450 561 L N 4.610 125.538 121.223 -0.491 0.000 2.297 561 L HA 0.357 4.693 4.340 -0.006 0.000 0.277 561 L C -0.600 176.182 176.870 -0.147 0.000 1.040 561 L CA -0.600 54.016 54.840 -0.373 0.000 0.867 561 L CB 0.254 42.230 42.059 -0.138 0.000 1.244 561 L HN 0.751 nan 8.230 nan 0.000 0.433 562 N N 0.226 118.751 118.700 -0.293 0.000 3.278 562 N HA 0.164 4.900 4.740 -0.006 0.000 0.307 562 N C 0.208 175.328 175.510 -0.651 0.000 1.551 562 N CA -0.935 51.856 53.050 -0.432 0.000 0.794 562 N CB 0.174 38.549 38.487 -0.188 0.000 1.770 562 N HN 0.286 nan 8.380 nan 0.000 0.612 563 W N 0.600 121.258 121.300 -1.070 0.000 2.321 563 W HA 0.037 4.693 4.660 -0.006 0.000 0.306 563 W C 1.987 178.417 176.519 -0.148 0.000 1.217 563 W CA 2.988 59.967 57.345 -0.609 0.000 1.257 563 W CB -0.952 28.259 29.460 -0.416 0.000 1.145 563 W HN 0.698 nan 8.180 nan 0.000 0.509 564 A N -0.375 122.328 122.820 -0.195 0.000 1.940 564 A HA -0.222 4.094 4.320 -0.006 0.000 0.219 564 A C 1.943 179.355 177.584 -0.287 0.000 1.176 564 A CA 2.593 54.459 52.037 -0.285 0.000 0.631 564 A CB -1.371 17.566 19.000 -0.105 0.000 0.814 564 A HN 0.322 nan 8.150 nan 0.000 0.446 565 T N -1.212 113.175 114.554 -0.278 0.000 2.699 565 T HA -0.253 4.093 4.350 -0.006 0.000 0.268 565 T C 1.765 176.386 174.700 -0.131 0.000 1.036 565 T CA 1.812 63.707 62.100 -0.342 0.000 1.147 565 T CB -0.538 67.922 68.868 -0.679 0.000 0.862 565 T HN 0.720 nan 8.240 nan 0.000 0.446 566 Y N 1.737 122.020 120.300 -0.027 0.000 2.200 566 Y HA -0.011 4.535 4.550 -0.006 0.000 0.290 566 Y C 2.035 177.885 175.900 -0.083 0.000 1.137 566 Y CA 0.962 59.131 58.100 0.114 0.000 1.163 566 Y CB -0.498 38.058 38.460 0.160 0.000 0.988 566 Y HN 0.082 nan 8.280 nan 0.000 0.518 567 L N 0.471 121.267 121.223 -0.712 0.000 2.042 567 L HA -0.228 4.108 4.340 -0.006 0.000 0.210 567 L C 2.875 179.474 176.870 -0.451 0.000 1.076 567 L CA 1.325 55.693 54.840 -0.786 0.000 0.749 567 L CB -0.937 40.674 42.059 -0.747 0.000 0.893 567 L HN 0.441 nan 8.230 nan 0.000 0.432 568 A N -1.230 121.388 122.820 -0.337 0.000 1.872 568 A HA -0.183 4.133 4.320 -0.006 0.000 0.214 568 A C 2.523 179.985 177.584 -0.203 0.000 1.187 568 A CA 1.820 53.702 52.037 -0.258 0.000 0.614 568 A CB -0.589 18.256 19.000 -0.259 0.000 0.826 568 A HN 0.347 nan 8.150 nan 0.000 0.442 569 S N -1.482 114.123 115.700 -0.159 0.000 2.371 569 S HA -0.082 4.384 4.470 -0.006 0.000 0.224 569 S C 1.885 176.466 174.600 -0.031 0.000 1.029 569 S CA 2.114 60.272 58.200 -0.071 0.000 0.978 569 S CB -0.267 62.949 63.200 0.027 0.000 0.833 569 S HN 0.560 nan 8.310 nan 0.000 0.466 570 T N 0.859 115.376 114.554 -0.062 0.000 3.046 570 T HA 0.223 4.569 4.350 -0.006 0.000 0.242 570 T C 1.217 175.866 174.700 -0.086 0.000 1.018 570 T CA 0.284 62.375 62.100 -0.015 0.000 1.131 570 T CB -0.036 68.917 68.868 0.142 0.000 0.904 570 T HN 0.235 nan 8.240 nan 0.000 0.459 571 E N 1.475 121.525 120.200 -0.250 0.000 2.479 571 E HA 0.186 4.533 4.350 -0.006 0.000 0.193 571 E C -0.024 176.542 176.600 -0.058 0.000 1.049 571 E CA -0.139 56.158 56.400 -0.172 0.000 0.870 571 E CB -0.474 29.042 29.700 -0.306 0.000 0.944 571 E HN 0.521 nan 8.360 nan 0.000 0.492 572 N N 0.637 119.309 118.700 -0.046 0.000 2.727 572 N HA -0.201 4.535 4.740 -0.006 0.000 0.249 572 N C -0.867 174.682 175.510 0.064 0.000 1.048 572 N CA 0.158 53.238 53.050 0.050 0.000 0.714 572 N CB -1.005 37.592 38.487 0.183 0.000 0.959 572 N HN 0.199 nan 8.380 nan 0.000 0.544 573 I N 1.088 121.626 120.570 -0.053 0.000 2.378 573 I HA 0.330 4.496 4.170 -0.006 0.000 0.291 573 I C 0.609 176.657 176.117 -0.116 0.000 0.992 573 I CA -0.820 60.464 61.300 -0.027 0.000 1.154 573 I CB 1.369 39.377 38.000 0.012 0.000 1.315 573 I HN 0.027 nan 8.210 nan 0.000 0.448 574 I N 6.624 127.133 120.570 -0.100 0.000 2.533 574 I HA 0.085 4.251 4.170 -0.006 0.000 0.284 574 I C -0.291 175.775 176.117 -0.084 0.000 1.109 574 I CA -0.184 61.017 61.300 -0.165 0.000 1.412 574 I CB 0.645 38.559 38.000 -0.144 0.000 1.396 574 I HN 0.213 nan 8.210 nan 0.000 0.543 575 V N 6.776 126.624 119.914 -0.110 0.000 2.334 575 V HA 0.595 4.712 4.120 -0.006 0.000 0.281 575 V C 0.366 176.460 176.094 -0.001 0.000 1.016 575 V CA -0.499 61.788 62.300 -0.021 0.000 0.832 575 V CB 1.093 32.888 31.823 -0.046 0.000 0.999 575 V HN 0.839 nan 8.190 nan 0.000 0.439 576 A N 3.862 126.715 122.820 0.055 0.000 2.340 576 A HA 0.913 5.229 4.320 -0.006 0.000 0.331 576 A C -0.097 177.626 177.584 0.232 0.000 1.140 576 A CA -0.459 51.609 52.037 0.053 0.000 0.801 576 A CB 1.652 20.531 19.000 -0.201 0.000 1.234 576 A HN 0.662 nan 8.150 nan 0.000 0.469 577 S N -0.136 115.749 115.700 0.309 0.000 2.568 577 S HA 0.807 5.273 4.470 -0.006 0.000 0.293 577 S C -1.487 173.461 174.600 0.580 0.000 1.089 577 S CA -0.274 58.162 58.200 0.392 0.000 0.945 577 S CB 1.252 64.632 63.200 0.300 0.000 1.077 577 S HN 0.747 nan 8.310 nan 0.000 0.485 578 F N 1.725 121.896 119.950 0.368 0.000 2.588 578 F HA 0.418 4.941 4.527 -0.006 0.000 0.314 578 F C -1.634 174.345 175.800 0.298 0.000 1.134 578 F CA -0.684 57.554 58.000 0.397 0.000 0.961 578 F CB 1.525 40.754 39.000 0.381 0.000 1.239 578 F HN 0.388 nan 8.300 nan 0.000 0.448 579 D N 4.934 125.059 120.400 -0.458 0.000 2.493 579 D HA 0.321 4.957 4.640 -0.006 0.000 0.235 579 D C 0.501 176.497 176.300 -0.508 0.000 1.117 579 D CA 0.104 53.932 54.000 -0.287 0.000 0.930 579 D CB 1.324 42.124 40.800 -0.000 0.000 1.010 579 D HN 0.748 nan 8.370 nan 0.000 0.514 580 G N 1.049 109.603 108.800 -0.411 0.000 2.666 580 G HA2 0.195 4.152 3.960 -0.006 0.000 0.207 580 G HA3 0.195 4.152 3.960 -0.006 0.000 0.207 580 G C 0.228 175.128 174.900 -0.001 0.000 1.481 580 G CA -0.626 44.297 45.100 -0.295 0.000 1.071 580 G HN 0.265 nan 8.290 nan 0.000 0.572 581 R N -0.506 119.992 120.500 -0.004 0.000 2.491 581 R HA 0.417 4.753 4.340 -0.006 0.000 0.283 581 R C 1.068 177.439 176.300 0.118 0.000 1.072 581 R CA 1.179 57.364 56.100 0.141 0.000 1.048 581 R CB 0.765 31.136 30.300 0.120 0.000 0.983 581 R HN 0.954 nan 8.270 nan 0.000 0.450 582 G N 1.276 110.135 108.800 0.098 0.000 2.259 582 G HA2 -0.325 3.631 3.960 -0.006 0.000 0.217 582 G HA3 -0.325 3.631 3.960 -0.006 0.000 0.217 582 G C 0.177 175.051 174.900 -0.044 0.000 1.001 582 G CA 0.058 45.180 45.100 0.038 0.000 0.627 582 G HN 0.713 nan 8.290 nan 0.000 0.501 583 S N 0.638 116.323 115.700 -0.025 0.000 2.576 583 S HA 0.564 5.030 4.470 -0.006 0.000 0.272 583 S C 0.978 175.526 174.600 -0.086 0.000 1.352 583 S CA 0.592 58.757 58.200 -0.059 0.000 1.021 583 S CB 1.484 64.688 63.200 0.007 0.000 0.887 583 S HN 1.716 nan 8.310 nan 0.000 0.542 584 G N -0.683 108.041 108.800 -0.126 0.000 2.535 584 G HA2 0.476 4.432 3.960 -0.006 0.000 0.303 584 G HA3 0.476 4.432 3.960 -0.006 0.000 0.303 584 G C -0.742 174.055 174.900 -0.172 0.000 1.237 584 G CA -1.061 43.830 45.100 -0.349 0.000 0.986 584 G HN 1.032 nan 8.290 nan 0.000 0.494 585 Y N -2.314 117.981 120.300 -0.008 0.000 4.409 585 Y HA -0.234 4.312 4.550 -0.007 0.000 0.228 585 Y C 1.314 177.215 175.900 0.001 0.000 1.108 585 Y CA 1.072 59.175 58.100 0.006 0.000 1.955 585 Y CB -1.917 36.566 38.460 0.040 0.000 1.615 585 Y HN 0.527 nan 8.280 nan 0.000 0.665 586 Q N -0.067 119.748 119.800 0.026 0.000 2.055 586 Q HA 0.487 4.824 4.340 -0.006 0.000 0.226 586 Q C 0.782 176.685 176.000 -0.160 0.000 0.805 586 Q CA 0.164 55.992 55.803 0.042 0.000 1.072 586 Q CB 1.770 30.532 28.738 0.040 0.000 1.219 586 Q HN 0.561 nan 8.270 nan 0.000 0.451 587 G N 0.650 109.209 108.800 -0.403 0.000 2.662 587 G HA2 -0.175 3.781 3.960 -0.006 0.000 0.686 587 G HA3 -0.175 3.781 3.960 -0.006 0.000 0.686 587 G C -0.509 174.009 174.900 -0.636 0.000 1.271 587 G CA -0.523 44.044 45.100 -0.887 0.000 0.816 587 G HN 0.101 nan 8.290 nan 0.000 0.608 588 D N 0.013 119.993 120.400 -0.700 0.000 2.183 588 D HA -0.032 4.605 4.640 -0.006 0.000 0.203 588 D C 2.243 178.236 176.300 -0.513 0.000 0.969 588 D CA 1.289 54.823 54.000 -0.777 0.000 0.842 588 D CB 0.008 40.299 40.800 -0.848 0.000 0.957 588 D HN 0.479 nan 8.370 nan 0.000 0.484 589 K N 1.135 121.310 120.400 -0.375 0.000 2.034 589 K HA -0.149 4.167 4.320 -0.006 0.000 0.214 589 K C 2.013 178.531 176.600 -0.137 0.000 1.051 589 K CA 1.127 57.290 56.287 -0.206 0.000 0.931 589 K CB -0.465 31.930 32.500 -0.174 0.000 0.715 589 K HN 0.112 nan 8.250 nan 0.000 0.446 590 I N -0.188 120.291 120.570 -0.152 0.000 2.163 590 I HA -0.233 3.933 4.170 -0.006 0.000 0.240 590 I C 2.622 178.713 176.117 -0.043 0.000 1.081 590 I CA 1.485 62.760 61.300 -0.041 0.000 1.353 590 I CB -0.187 37.800 38.000 -0.021 0.000 1.054 590 I HN 0.332 nan 8.210 nan 0.000 0.407 591 M N -0.134 119.362 119.600 -0.174 0.000 2.175 591 M HA -0.208 4.268 4.480 -0.006 0.000 0.264 591 M C 1.879 178.192 176.300 0.022 0.000 1.063 591 M CA 1.912 57.132 55.300 -0.134 0.000 1.119 591 M CB -0.279 32.147 32.600 -0.290 0.000 1.377 591 M HN 0.287 nan 8.290 nan 0.000 0.415 592 H N -0.845 118.125 119.070 -0.167 0.000 2.539 592 H HA 0.191 4.743 4.556 -0.006 0.000 0.267 592 H C 1.906 177.270 175.328 0.059 0.000 0.982 592 H CA 0.166 56.142 56.048 -0.120 0.000 1.146 592 H CB 0.176 29.770 29.762 -0.279 0.000 1.382 592 H HN 0.516 nan 8.280 nan 0.000 0.577 593 A N 1.529 124.458 122.820 0.182 0.000 2.084 593 A HA -0.165 4.151 4.320 -0.006 0.000 0.221 593 A C 1.861 179.660 177.584 0.359 0.000 1.161 593 A CA 1.423 53.595 52.037 0.226 0.000 0.653 593 A CB -0.581 18.515 19.000 0.160 0.000 0.802 593 A HN 0.474 nan 8.150 nan 0.000 0.457 594 I N -2.723 118.017 120.570 0.283 0.000 3.904 594 I HA 0.182 4.348 4.170 -0.006 0.000 0.333 594 I C 0.340 176.534 176.117 0.128 0.000 1.361 594 I CA -0.803 60.612 61.300 0.192 0.000 1.116 594 I CB -0.764 37.317 38.000 0.135 0.000 1.028 594 I HN 0.185 nan 8.210 nan 0.000 0.398 595 N N 3.191 122.019 118.700 0.214 0.000 2.374 595 N HA -0.070 4.666 4.740 -0.006 0.000 0.269 595 N C 0.306 175.843 175.510 0.044 0.000 1.310 595 N CA 0.378 53.550 53.050 0.202 0.000 0.877 595 N CB 0.279 38.877 38.487 0.185 0.000 1.096 595 N HN 0.404 nan 8.380 nan 0.000 0.484 596 R N 0.922 121.418 120.500 -0.008 0.000 3.922 596 R HA -0.147 4.190 4.340 -0.006 0.000 0.447 596 R C -0.265 175.921 176.300 -0.190 0.000 1.035 596 R CA 1.037 57.093 56.100 -0.073 0.000 1.289 596 R CB -0.789 29.486 30.300 -0.042 0.000 1.906 596 R HN 0.672 nan 8.270 nan 0.000 0.540 597 R N 0.813 121.174 120.500 -0.231 0.000 2.881 597 R HA 0.219 4.555 4.340 -0.006 0.000 0.331 597 R C -0.554 175.690 176.300 -0.093 0.000 1.207 597 R CA -0.644 55.157 56.100 -0.499 0.000 1.265 597 R CB 0.408 30.365 30.300 -0.571 0.000 1.351 597 R HN -0.108 nan 8.270 nan 0.000 0.613 598 L N 0.502 121.770 121.223 0.074 0.000 2.483 598 L HA 0.155 4.491 4.340 -0.006 0.000 0.276 598 L C 1.506 178.620 176.870 0.407 0.000 1.213 598 L CA 1.611 56.539 54.840 0.146 0.000 0.843 598 L CB 0.303 42.236 42.059 -0.210 0.000 1.107 598 L HN 0.814 nan 8.230 nan 0.000 0.487 599 G N 0.892 109.968 108.800 0.460 0.000 2.137 599 G HA2 -0.297 3.659 3.960 -0.006 0.000 0.237 599 G HA3 -0.297 3.659 3.960 -0.006 0.000 0.237 599 G C 0.524 175.541 174.900 0.194 0.000 1.002 599 G CA 0.941 46.285 45.100 0.405 0.000 0.702 599 G HN 0.928 nan 8.290 nan 0.000 0.515 600 T N -3.798 110.829 114.554 0.123 0.000 3.216 600 T HA 0.450 4.796 4.350 -0.006 0.000 0.167 600 T C 1.649 176.383 174.700 0.057 0.000 0.905 600 T CA 0.895 62.982 62.100 -0.022 0.000 1.042 600 T CB -0.041 68.653 68.868 -0.291 0.000 1.787 600 T HN 0.154 nan 8.240 nan 0.000 0.355 601 F N 3.624 123.625 119.950 0.084 0.000 2.120 601 F HA 0.002 4.526 4.527 -0.006 0.000 0.300 601 F C 2.799 178.639 175.800 0.067 0.000 1.095 601 F CA 1.437 59.473 58.000 0.060 0.000 1.249 601 F CB -0.737 38.294 39.000 0.050 0.000 0.995 601 F HN 0.541 nan 8.300 nan 0.000 0.480 602 E N 0.636 121.002 120.200 0.277 0.000 2.208 602 E HA -0.110 4.236 4.350 -0.006 0.000 0.193 602 E C 2.162 178.882 176.600 0.200 0.000 0.988 602 E CA 1.305 57.839 56.400 0.224 0.000 0.828 602 E CB -1.044 28.794 29.700 0.230 0.000 0.763 602 E HN 0.289 nan 8.360 nan 0.000 0.478 603 V N 1.909 121.925 119.914 0.171 0.000 2.244 603 V HA -0.246 3.871 4.120 -0.006 0.000 0.244 603 V C 2.367 178.515 176.094 0.090 0.000 1.042 603 V CA 2.311 64.669 62.300 0.097 0.000 1.006 603 V CB -0.659 31.185 31.823 0.035 0.000 0.641 603 V HN 0.229 nan 8.190 nan 0.000 0.446 604 E N 0.131 120.396 120.200 0.107 0.000 2.118 604 E HA -0.255 4.091 4.350 -0.006 0.000 0.195 604 E C 1.886 178.517 176.600 0.051 0.000 0.992 604 E CA 1.607 58.060 56.400 0.089 0.000 0.804 604 E CB -0.210 29.572 29.700 0.137 0.000 0.741 604 E HN 0.603 nan 8.360 nan 0.000 0.458 605 D N 0.149 120.591 120.400 0.070 0.000 2.183 605 D HA -0.107 4.530 4.640 -0.006 0.000 0.203 605 D C 1.945 178.235 176.300 -0.017 0.000 0.969 605 D CA 0.628 54.638 54.000 0.015 0.000 0.842 605 D CB -0.090 40.753 40.800 0.070 0.000 0.957 605 D HN 0.083 nan 8.370 nan 0.000 0.484 606 Q N 0.225 120.083 119.800 0.096 0.000 2.119 606 Q HA -0.031 4.306 4.340 -0.006 0.000 0.201 606 Q C 2.501 178.554 176.000 0.089 0.000 0.972 606 Q CA 0.562 56.434 55.803 0.116 0.000 0.847 606 Q CB -0.083 28.752 28.738 0.162 0.000 0.903 606 Q HN 0.423 nan 8.270 nan 0.000 0.433 607 I N 0.480 121.109 120.570 0.099 0.000 2.202 607 I HA -0.242 3.924 4.170 -0.006 0.000 0.242 607 I C 2.395 178.473 176.117 -0.066 0.000 1.091 607 I CA 1.094 62.480 61.300 0.144 0.000 1.368 607 I CB -0.237 37.838 38.000 0.126 0.000 1.058 607 I HN 0.126 nan 8.210 nan 0.000 0.410 608 E N 1.663 121.776 120.200 -0.144 0.000 2.085 608 E HA -0.239 4.107 4.350 -0.006 0.000 0.194 608 E C 2.109 178.428 176.600 -0.468 0.000 0.994 608 E CA 1.812 58.059 56.400 -0.253 0.000 0.801 608 E CB -0.248 29.320 29.700 -0.219 0.000 0.743 608 E HN 0.411 nan 8.360 nan 0.000 0.453 609 A N 0.865 123.266 122.820 -0.698 0.000 1.892 609 A HA -0.171 4.146 4.320 -0.006 0.000 0.218 609 A C 2.494 179.429 177.584 -1.081 0.000 1.188 609 A CA 2.631 53.941 52.037 -1.212 0.000 0.631 609 A CB -1.235 16.875 19.000 -1.483 0.000 0.822 609 A HN 0.427 nan 8.150 nan 0.000 0.447 610 A N -0.694 121.851 122.820 -0.457 0.000 1.972 610 A HA -0.142 4.174 4.320 -0.006 0.000 0.219 610 A C 2.232 179.643 177.584 -0.288 0.000 1.169 610 A CA 1.480 53.393 52.037 -0.208 0.000 0.635 610 A CB -0.441 18.455 19.000 -0.174 0.000 0.810 610 A HN 0.566 nan 8.150 nan 0.000 0.446 611 R N -0.647 119.659 120.500 -0.323 0.000 2.081 611 R HA -0.121 4.216 4.340 -0.006 0.000 0.235 611 R C 2.381 178.510 176.300 -0.284 0.000 1.131 611 R CA 1.443 57.384 56.100 -0.265 0.000 0.960 611 R CB -0.244 29.925 30.300 -0.218 0.000 0.856 611 R HN 0.585 nan 8.270 nan 0.000 0.436 612 Q N -0.174 119.378 119.800 -0.413 0.000 2.079 612 Q HA -0.127 4.209 4.340 -0.006 0.000 0.200 612 Q C 2.004 177.814 176.000 -0.316 0.000 0.974 612 Q CA 1.325 56.887 55.803 -0.401 0.000 0.840 612 Q CB -0.227 28.187 28.738 -0.540 0.000 0.898 612 Q HN 0.299 nan 8.270 nan 0.000 0.430 613 F N 1.339 121.118 119.950 -0.285 0.000 2.216 613 F HA -0.090 4.433 4.527 -0.007 0.000 0.300 613 F C 2.513 178.120 175.800 -0.321 0.000 1.085 613 F CA 0.711 58.534 58.000 -0.295 0.000 1.326 613 F CB -0.822 38.048 39.000 -0.216 0.000 1.027 613 F HN -0.051 nan 8.300 nan 0.000 0.497 614 S N -0.360 115.279 115.700 -0.102 0.000 2.383 614 S HA -0.139 4.327 4.470 -0.006 0.000 0.227 614 S C 1.954 176.440 174.600 -0.190 0.000 1.026 614 S CA 0.843 58.951 58.200 -0.153 0.000 0.981 614 S CB -0.224 62.889 63.200 -0.146 0.000 0.818 614 S HN 0.331 nan 8.310 nan 0.000 0.472 615 K N 0.729 121.020 120.400 -0.182 0.000 2.362 615 K HA 0.125 4.441 4.320 -0.006 0.000 0.200 615 K C 1.739 178.224 176.600 -0.191 0.000 1.046 615 K CA 0.672 56.860 56.287 -0.164 0.000 0.952 615 K CB -0.186 32.229 32.500 -0.142 0.000 0.753 615 K HN 0.392 nan 8.250 nan 0.000 0.466 616 M N -0.800 118.628 119.600 -0.287 0.000 2.549 616 M HA -0.048 4.429 4.480 -0.006 0.000 0.260 616 M C 1.244 177.253 176.300 -0.485 0.000 1.076 616 M CA 1.204 56.269 55.300 -0.393 0.000 1.090 616 M CB 0.147 32.401 32.600 -0.576 0.000 1.418 616 M HN 0.433 nan 8.290 nan 0.000 0.486 617 G N 0.694 109.244 108.800 -0.417 0.000 2.176 617 G HA2 -0.295 3.662 3.960 -0.006 0.000 0.253 617 G HA3 -0.295 3.662 3.960 -0.006 0.000 0.253 617 G C 0.448 175.280 174.900 -0.113 0.000 0.979 617 G CA 0.381 45.354 45.100 -0.211 0.000 0.641 617 G HN 0.650 nan 8.290 nan 0.000 0.530 618 F N -0.168 119.828 119.950 0.076 0.000 2.639 618 F HA 0.749 5.272 4.527 -0.007 0.000 0.302 618 F C 0.249 176.149 175.800 0.166 0.000 1.097 618 F CA -0.950 57.127 58.000 0.129 0.000 1.294 618 F CB 0.364 39.495 39.000 0.219 0.000 1.027 618 F HN 0.050 nan 8.300 nan 0.000 0.550 619 V N 1.572 121.508 119.914 0.037 0.000 2.384 619 V HA 0.163 4.279 4.120 -0.006 0.000 0.287 619 V C -0.543 175.539 176.094 -0.021 0.000 1.020 619 V CA -0.822 61.509 62.300 0.052 0.000 0.850 619 V CB 1.412 33.219 31.823 -0.028 0.000 0.987 619 V HN 0.091 nan 8.190 nan 0.000 0.436 620 D N 4.399 124.781 120.400 -0.030 0.000 2.342 620 D HA -0.010 4.626 4.640 -0.006 0.000 0.260 620 D C 1.089 177.329 176.300 -0.099 0.000 1.278 620 D CA -0.043 53.908 54.000 -0.081 0.000 0.910 620 D CB 0.688 41.417 40.800 -0.118 0.000 1.079 620 D HN 0.679 nan 8.370 nan 0.000 0.496 621 N N 3.265 121.911 118.700 -0.090 0.000 2.449 621 N HA -0.085 4.651 4.740 -0.006 0.000 0.191 621 N C 0.555 176.016 175.510 -0.082 0.000 1.161 621 N CA 0.285 53.275 53.050 -0.099 0.000 0.863 621 N CB 0.035 38.458 38.487 -0.108 0.000 0.980 621 N HN 0.340 nan 8.380 nan 0.000 0.458 622 K N -0.116 120.242 120.400 -0.070 0.000 2.393 622 K HA 0.199 4.515 4.320 -0.006 0.000 0.193 622 K C 0.130 176.718 176.600 -0.020 0.000 1.026 622 K CA 0.174 56.438 56.287 -0.038 0.000 1.064 622 K CB 0.527 33.008 32.500 -0.032 0.000 0.833 622 K HN 0.123 nan 8.250 nan 0.000 0.521 623 R N 1.252 121.700 120.500 -0.086 0.000 2.653 623 R HA 0.337 4.673 4.340 -0.006 0.000 0.269 623 R C -1.042 175.133 176.300 -0.209 0.000 1.603 623 R CA -0.131 55.878 56.100 -0.152 0.000 1.671 623 R CB 0.629 30.666 30.300 -0.438 0.000 1.300 623 R HN -0.008 nan 8.270 nan 0.000 0.668 624 I N 1.230 121.843 120.570 0.072 0.000 2.362 624 I HA 0.519 4.686 4.170 -0.006 0.000 0.289 624 I C 0.154 176.578 176.117 0.512 0.000 0.994 624 I CA -0.662 60.739 61.300 0.169 0.000 1.158 624 I CB 1.807 39.756 38.000 -0.085 0.000 1.315 624 I HN 0.290 nan 8.210 nan 0.000 0.451 625 A N 7.154 130.400 122.820 0.710 0.000 2.344 625 A HA 0.940 5.257 4.320 -0.006 0.000 0.307 625 A C -0.991 176.968 177.584 0.624 0.000 1.151 625 A CA -0.664 51.767 52.037 0.657 0.000 0.842 625 A CB 1.993 21.261 19.000 0.446 0.000 1.350 625 A HN 0.731 nan 8.150 nan 0.000 0.459 626 I N 0.098 120.916 120.570 0.413 0.000 2.775 626 I HA 0.665 4.831 4.170 -0.006 0.000 0.295 626 I C -2.057 174.293 176.117 0.388 0.000 1.287 626 I CA -0.462 60.995 61.300 0.261 0.000 1.029 626 I CB 1.660 39.473 38.000 -0.312 0.000 1.282 626 I HN 0.950 nan 8.210 nan 0.000 0.426 627 W N 7.008 128.424 121.300 0.195 0.000 3.213 627 W HA 0.845 5.501 4.660 -0.006 0.000 0.318 627 W C -1.567 175.095 176.519 0.238 0.000 1.248 627 W CA -0.971 56.505 57.345 0.218 0.000 1.187 627 W CB 1.037 30.680 29.460 0.304 0.000 1.403 627 W HN 0.869 nan 8.180 nan 0.000 0.556 628 G N 1.073 109.624 108.800 -0.416 0.000 2.579 628 G HA2 0.445 4.401 3.960 -0.006 0.000 0.292 628 G HA3 0.445 4.401 3.960 -0.006 0.000 0.292 628 G C -2.700 172.039 174.900 -0.269 0.000 1.484 628 G CA -0.734 44.031 45.100 -0.558 0.000 0.813 628 G HN 0.597 nan 8.290 nan 0.000 0.515 629 W N 1.015 122.093 121.300 -0.369 0.000 2.706 629 W HA 0.578 5.234 4.660 -0.006 0.000 0.346 629 W C 0.916 177.372 176.519 -0.105 0.000 1.071 629 W CA 0.593 57.813 57.345 -0.207 0.000 1.206 629 W CB 1.816 31.143 29.460 -0.221 0.000 1.413 629 W HN 1.052 nan 8.180 nan 0.000 0.542 630 S N 1.323 117.219 115.700 0.327 0.000 4.139 630 S HA -0.428 4.038 4.470 -0.006 0.000 0.603 630 S C 0.863 175.569 174.600 0.177 0.000 1.897 630 S CA 1.696 60.077 58.200 0.301 0.000 4.241 630 S CB -1.582 61.829 63.200 0.352 0.000 0.221 630 S HN 0.752 nan 8.310 nan 0.000 0.488 631 Y N 2.961 123.337 120.300 0.128 0.000 2.181 631 Y HA -0.034 4.512 4.550 -0.006 0.000 0.288 631 Y C 2.528 178.607 175.900 0.299 0.000 1.146 631 Y CA 2.188 60.454 58.100 0.277 0.000 1.164 631 Y CB -1.011 37.728 38.460 0.465 0.000 0.982 631 Y HN 0.569 nan 8.280 nan 0.000 0.515 632 G N -0.581 108.481 108.800 0.437 0.000 2.513 632 G HA2 -0.342 3.614 3.960 -0.006 0.000 0.219 632 G HA3 -0.342 3.614 3.960 -0.006 0.000 0.219 632 G C 1.884 176.860 174.900 0.127 0.000 1.160 632 G CA 0.973 46.230 45.100 0.263 0.000 0.767 632 G HN 0.578 nan 8.290 nan 0.000 0.571 633 G N -0.403 108.445 108.800 0.080 0.000 2.422 633 G HA2 -0.228 3.729 3.960 -0.006 0.000 0.218 633 G HA3 -0.228 3.729 3.960 -0.006 0.000 0.218 633 G C 1.591 176.527 174.900 0.059 0.000 1.146 633 G CA 1.108 46.228 45.100 0.034 0.000 0.769 633 G HN 0.523 nan 8.290 nan 0.000 0.547 634 Y N 1.129 121.367 120.300 -0.103 0.000 2.114 634 Y HA -0.161 4.385 4.550 -0.007 0.000 0.284 634 Y C 2.823 178.666 175.900 -0.094 0.000 1.143 634 Y CA 1.860 59.849 58.100 -0.184 0.000 1.135 634 Y CB -0.254 37.957 38.460 -0.416 0.000 0.980 634 Y HN 0.035 nan 8.280 nan 0.000 0.499 635 V N 0.068 119.942 119.914 -0.066 0.000 2.252 635 V HA -0.383 3.733 4.120 -0.006 0.000 0.249 635 V C 2.309 178.326 176.094 -0.128 0.000 1.056 635 V CA 2.506 64.754 62.300 -0.088 0.000 1.022 635 V CB -1.332 30.593 31.823 0.171 0.000 0.641 635 V HN 0.522 nan 8.190 nan 0.000 0.445 636 T N 0.150 114.672 114.554 -0.052 0.000 2.665 636 T HA -0.227 4.119 4.350 -0.006 0.000 0.268 636 T C 2.113 176.757 174.700 -0.092 0.000 1.035 636 T CA 2.130 64.192 62.100 -0.062 0.000 1.151 636 T CB -0.334 68.562 68.868 0.047 0.000 0.862 636 T HN 0.569 nan 8.240 nan 0.000 0.438 637 S N 1.152 116.824 115.700 -0.047 0.000 2.355 637 S HA -0.028 4.438 4.470 -0.006 0.000 0.222 637 S C 2.144 176.642 174.600 -0.169 0.000 1.031 637 S CA 0.950 59.129 58.200 -0.035 0.000 0.993 637 S CB -0.317 62.928 63.200 0.074 0.000 0.859 637 S HN 0.306 nan 8.310 nan 0.000 0.453 638 M N 1.151 120.573 119.600 -0.297 0.000 2.149 638 M HA -0.052 4.424 4.480 -0.006 0.000 0.261 638 M C 2.160 178.299 176.300 -0.268 0.000 1.064 638 M CA 1.115 56.217 55.300 -0.331 0.000 1.102 638 M CB -1.485 30.823 32.600 -0.487 0.000 1.369 638 M HN 0.187 nan 8.290 nan 0.000 0.408 639 V N 0.075 119.834 119.914 -0.259 0.000 2.407 639 V HA -0.189 3.927 4.120 -0.006 0.000 0.245 639 V C 2.496 178.418 176.094 -0.288 0.000 1.041 639 V CA 1.081 63.238 62.300 -0.238 0.000 1.040 639 V CB -0.586 31.050 31.823 -0.312 0.000 0.671 639 V HN 0.383 nan 8.190 nan 0.000 0.455 640 L N 0.655 121.642 121.223 -0.393 0.000 2.131 640 L HA -0.062 4.274 4.340 -0.006 0.000 0.210 640 L C 2.194 178.565 176.870 -0.831 0.000 1.092 640 L CA 1.618 56.155 54.840 -0.505 0.000 0.759 640 L CB -0.735 41.030 42.059 -0.490 0.000 0.903 640 L HN 0.497 nan 8.230 nan 0.000 0.435 641 G N -1.377 106.836 108.800 -0.977 0.000 3.314 641 G HA2 -0.014 3.942 3.960 -0.006 0.000 0.238 641 G HA3 -0.014 3.942 3.960 -0.006 0.000 0.238 641 G C 1.403 176.090 174.900 -0.356 0.000 1.184 641 G CA 0.551 45.138 45.100 -0.856 0.000 0.806 641 G HN 0.429 nan 8.290 nan 0.000 0.536 642 S N -0.753 114.790 115.700 -0.262 0.000 2.501 642 S HA 0.297 4.763 4.470 -0.006 0.000 0.220 642 S C 1.862 176.409 174.600 -0.089 0.000 0.997 642 S CA 0.918 59.038 58.200 -0.133 0.000 0.919 642 S CB -0.079 63.072 63.200 -0.082 0.000 0.778 642 S HN 1.351 nan 8.310 nan 0.000 0.523 643 G N 1.587 110.325 108.800 -0.103 0.000 2.221 643 G HA2 -0.317 3.639 3.960 -0.006 0.000 0.265 643 G HA3 -0.317 3.639 3.960 -0.006 0.000 0.265 643 G C 0.828 175.712 174.900 -0.026 0.000 1.041 643 G CA 0.848 45.913 45.100 -0.058 0.000 0.807 643 G HN 1.231 nan 8.290 nan 0.000 0.502 644 S N -1.109 114.587 115.700 -0.006 0.000 2.436 644 S HA 0.346 4.812 4.470 -0.006 0.000 0.228 644 S C 2.462 177.061 174.600 -0.003 0.000 1.014 644 S CA 1.568 59.774 58.200 0.010 0.000 0.950 644 S CB -0.049 63.184 63.200 0.055 0.000 0.784 644 S HN 2.388 nan 8.310 nan 0.000 0.504 645 G N 0.178 108.984 108.800 0.010 0.000 2.179 645 G HA2 -0.296 3.660 3.960 -0.006 0.000 0.260 645 G HA3 -0.296 3.660 3.960 -0.006 0.000 0.260 645 G C 0.801 175.679 174.900 -0.036 0.000 0.977 645 G CA 0.437 45.534 45.100 -0.005 0.000 0.641 645 G HN 0.702 nan 8.290 nan 0.000 0.533 646 V N -0.478 119.392 119.914 -0.073 0.000 2.379 646 V HA 0.242 4.358 4.120 -0.006 0.000 0.245 646 V C 1.278 177.148 176.094 -0.375 0.000 1.044 646 V CA 1.572 63.694 62.300 -0.296 0.000 1.036 646 V CB -0.392 31.119 31.823 -0.520 0.000 0.664 646 V HN 0.299 nan 8.190 nan 0.000 0.453 647 F N 0.039 120.008 119.950 0.032 0.000 2.420 647 F HA 0.401 4.924 4.527 -0.007 0.000 0.342 647 F C 1.154 177.006 175.800 0.086 0.000 1.113 647 F CA -0.503 57.544 58.000 0.079 0.000 1.059 647 F CB 1.304 40.358 39.000 0.089 0.000 1.128 647 F HN -0.243 nan 8.300 nan 0.000 0.475 648 K N 1.734 122.309 120.400 0.291 0.000 2.076 648 K HA 0.052 4.368 4.320 -0.006 0.000 0.204 648 K C 0.055 176.797 176.600 0.237 0.000 1.051 648 K CA 1.014 57.433 56.287 0.220 0.000 0.949 648 K CB 0.212 32.843 32.500 0.219 0.000 0.726 648 K HN 0.808 nan 8.250 nan 0.000 0.443 649 c N -2.866 115.916 118.600 0.303 0.000 3.318 649 c HA 0.891 5.457 4.570 -0.006 0.000 0.322 649 c C -0.212 174.106 174.090 0.380 0.000 1.398 649 c CA -0.595 55.928 56.329 0.322 0.000 1.339 649 c CB 1.168 43.804 42.510 0.209 0.000 1.668 649 c HN 0.355 nan 8.230 nan 0.000 0.462 650 G N -0.018 109.067 108.800 0.475 0.000 2.646 650 G HA2 0.710 4.666 3.960 -0.006 0.000 0.291 650 G HA3 0.710 4.666 3.960 -0.006 0.000 0.291 650 G C -1.974 173.200 174.900 0.458 0.000 1.445 650 G CA -0.703 44.653 45.100 0.427 0.000 0.814 650 G HN 1.008 nan 8.290 nan 0.000 0.495 651 I N 0.641 121.447 120.570 0.394 0.000 2.466 651 I HA 0.627 4.793 4.170 -0.006 0.000 0.289 651 I C 0.039 176.299 176.117 0.239 0.000 1.026 651 I CA -1.006 60.432 61.300 0.229 0.000 1.078 651 I CB 2.243 40.371 38.000 0.215 0.000 1.249 651 I HN 0.651 nan 8.210 nan 0.000 0.429 652 A N 6.465 129.320 122.820 0.059 0.000 2.310 652 A HA 0.737 5.053 4.320 -0.006 0.000 0.304 652 A C -0.861 176.618 177.584 -0.175 0.000 1.231 652 A CA -0.490 51.562 52.037 0.026 0.000 0.799 652 A CB 1.175 20.275 19.000 0.167 0.000 1.162 652 A HN 0.432 nan 8.150 nan 0.000 0.486 653 V N 2.276 122.003 119.914 -0.311 0.000 2.370 653 V HA 0.558 4.674 4.120 -0.006 0.000 0.283 653 V C 0.943 176.557 176.094 -0.800 0.000 1.023 653 V CA 0.318 62.205 62.300 -0.688 0.000 0.857 653 V CB 0.785 31.895 31.823 -1.188 0.000 0.985 653 V HN 2.054 nan 8.190 nan 0.000 0.443 654 A N 6.239 128.628 122.820 -0.718 0.000 2.154 654 A HA -0.104 4.212 4.320 -0.006 0.000 0.274 654 A C -2.001 175.398 177.584 -0.308 0.000 1.373 654 A CA 0.227 51.790 52.037 -0.789 0.000 0.751 654 A CB -1.411 17.225 19.000 -0.607 0.000 1.149 654 A HN 0.593 nan 8.150 nan 0.000 0.337 655 P HA 0.447 nan 4.420 nan 0.000 0.281 655 P C 0.151 177.405 177.300 -0.077 0.000 1.249 655 P CA -0.360 62.699 63.100 -0.068 0.000 0.810 655 P CB 1.213 32.907 31.700 -0.010 0.000 1.008 656 V N 2.108 121.893 119.914 -0.216 0.000 2.637 656 V HA 0.034 4.150 4.120 -0.006 0.000 0.296 656 V C 1.856 177.803 176.094 -0.245 0.000 1.046 656 V CA 1.063 63.105 62.300 -0.430 0.000 1.066 656 V CB 0.514 31.661 31.823 -1.125 0.000 0.968 656 V HN 0.829 nan 8.190 nan 0.000 0.483 657 S N 4.501 120.094 115.700 -0.178 0.000 2.545 657 S HA 0.205 4.672 4.470 -0.006 0.000 0.232 657 S C 0.588 175.068 174.600 -0.200 0.000 1.070 657 S CA -0.222 57.936 58.200 -0.071 0.000 0.923 657 S CB 0.273 63.486 63.200 0.022 0.000 0.806 657 S HN 0.841 nan 8.310 nan 0.000 0.506 658 R N -1.419 118.850 120.500 -0.385 0.000 2.643 658 R HA 0.410 4.747 4.340 -0.006 0.000 0.269 658 R C -0.968 175.015 176.300 -0.529 0.000 1.037 658 R CA -0.899 54.886 56.100 -0.524 0.000 0.894 658 R CB 0.008 30.009 30.300 -0.498 0.000 1.238 658 R HN 0.191 nan 8.270 nan 0.000 0.459 659 W N 1.255 122.465 121.300 -0.151 0.000 2.525 659 W HA 0.020 4.677 4.660 -0.006 0.000 0.259 659 W C 1.042 177.683 176.519 0.204 0.000 1.253 659 W CA 0.552 57.893 57.345 -0.007 0.000 1.262 659 W CB 0.295 29.659 29.460 -0.161 0.000 1.122 659 W HN 0.734 nan 8.180 nan 0.000 0.607 660 E N -1.123 119.236 120.200 0.265 0.000 2.418 660 E HA -0.159 4.187 4.350 -0.006 0.000 0.197 660 E C 1.278 178.042 176.600 0.272 0.000 1.026 660 E CA 0.864 57.392 56.400 0.213 0.000 0.862 660 E CB -0.359 29.369 29.700 0.047 0.000 0.799 660 E HN 0.330 nan 8.360 nan 0.000 0.518 661 Y N -1.166 119.230 120.300 0.159 0.000 2.448 661 Y HA 0.075 4.622 4.550 -0.006 0.000 0.289 661 Y C 0.717 176.717 175.900 0.167 0.000 1.114 661 Y CA -0.411 57.752 58.100 0.104 0.000 1.235 661 Y CB -0.508 37.959 38.460 0.011 0.000 1.045 661 Y HN 0.027 nan 8.280 nan 0.000 0.554 662 Y N 2.258 122.708 120.300 0.250 0.000 2.298 662 Y HA 0.231 4.777 4.550 -0.007 0.000 0.329 662 Y C 0.537 176.665 175.900 0.380 0.000 1.293 662 Y CA -1.898 56.365 58.100 0.272 0.000 1.388 662 Y CB 0.236 38.897 38.460 0.335 0.000 1.309 662 Y HN 0.212 nan 8.280 nan 0.000 0.544 663 D N -0.496 119.694 120.400 -0.349 0.000 2.362 663 D HA 0.015 4.651 4.640 -0.006 0.000 0.238 663 D C 0.865 177.170 176.300 0.009 0.000 1.212 663 D CA 0.503 54.348 54.000 -0.258 0.000 0.902 663 D CB 0.637 41.030 40.800 -0.678 0.000 1.180 663 D HN 0.439 nan 8.370 nan 0.000 0.445 664 S N 0.318 116.022 115.700 0.006 0.000 2.414 664 S HA -0.113 4.354 4.470 -0.006 0.000 0.227 664 S C 1.809 176.437 174.600 0.048 0.000 1.022 664 S CA 0.664 58.914 58.200 0.084 0.000 0.958 664 S CB -0.562 62.695 63.200 0.095 0.000 0.797 664 S HN 0.403 nan 8.310 nan 0.000 0.493 665 V N 0.549 120.438 119.914 -0.041 0.000 2.323 665 V HA -0.077 4.039 4.120 -0.006 0.000 0.244 665 V C 2.223 178.232 176.094 -0.141 0.000 1.041 665 V CA 1.801 63.990 62.300 -0.185 0.000 1.025 665 V CB -0.929 30.653 31.823 -0.401 0.000 0.656 665 V HN 0.590 nan 8.190 nan 0.000 0.451 666 Y N 1.321 121.566 120.300 -0.091 0.000 2.153 666 Y HA -0.195 4.351 4.550 -0.006 0.000 0.289 666 Y C 2.700 178.592 175.900 -0.012 0.000 1.127 666 Y CA 2.249 60.366 58.100 0.028 0.000 1.131 666 Y CB -0.429 38.242 38.460 0.352 0.000 0.995 666 Y HN 0.195 nan 8.280 nan 0.000 0.505 667 T N 0.443 115.188 114.554 0.318 0.000 2.674 667 T HA -0.194 4.153 4.350 -0.006 0.000 0.265 667 T C 1.535 176.180 174.700 -0.090 0.000 1.039 667 T CA 1.973 64.183 62.100 0.184 0.000 1.150 667 T CB -0.300 68.843 68.868 0.458 0.000 0.864 667 T HN 0.441 nan 8.240 nan 0.000 0.427 668 E N 0.594 120.773 120.200 -0.036 0.000 2.204 668 E HA -0.071 4.275 4.350 -0.006 0.000 0.194 668 E C 2.368 178.821 176.600 -0.245 0.000 0.989 668 E CA 0.392 56.765 56.400 -0.045 0.000 0.824 668 E CB -0.111 29.615 29.700 0.043 0.000 0.756 668 E HN 0.315 nan 8.360 nan 0.000 0.477 669 R N 0.161 120.349 120.500 -0.520 0.000 2.113 669 R HA -0.214 4.123 4.340 -0.006 0.000 0.244 669 R C 1.466 177.197 176.300 -0.948 0.000 1.142 669 R CA 1.838 57.416 56.100 -0.870 0.000 0.953 669 R CB -0.066 29.337 30.300 -1.495 0.000 0.860 669 R HN 0.273 nan 8.270 nan 0.000 0.438 670 Y N -2.228 117.725 120.300 -0.579 0.000 2.503 670 Y HA 0.172 4.718 4.550 -0.007 0.000 0.277 670 Y C 1.872 177.562 175.900 -0.350 0.000 1.102 670 Y CA 0.099 57.861 58.100 -0.563 0.000 1.261 670 Y CB 0.281 38.288 38.460 -0.755 0.000 1.096 670 Y HN -0.043 nan 8.280 nan 0.000 0.546 671 M N -0.375 119.089 119.600 -0.227 0.000 2.367 671 M HA 0.345 4.821 4.480 -0.006 0.000 0.256 671 M C 1.197 177.501 176.300 0.007 0.000 1.091 671 M CA 0.814 55.986 55.300 -0.213 0.000 1.049 671 M CB -0.458 31.822 32.600 -0.534 0.000 1.406 671 M HN 0.368 nan 8.290 nan 0.000 0.498 672 G N 1.865 110.680 108.800 0.025 0.000 2.601 672 G HA2 -0.228 3.728 3.960 -0.006 0.000 0.252 672 G HA3 -0.228 3.728 3.960 -0.006 0.000 0.252 672 G C -0.677 174.353 174.900 0.216 0.000 1.294 672 G CA -0.701 44.458 45.100 0.098 0.000 0.912 672 G HN 0.257 nan 8.290 nan 0.000 0.574 673 L N 2.555 123.875 121.223 0.161 0.000 2.343 673 L HA 0.541 4.877 4.340 -0.006 0.000 0.275 673 L C -1.417 175.437 176.870 -0.026 0.000 1.056 673 L CA -1.931 52.957 54.840 0.080 0.000 0.804 673 L CB 1.267 43.338 42.059 0.020 0.000 1.203 673 L HN 0.424 nan 8.230 nan 0.000 0.440 674 P HA 0.126 nan 4.420 nan 0.000 0.220 674 P C -0.760 176.380 177.300 -0.265 0.000 1.806 674 P CA -0.172 62.499 63.100 -0.715 0.000 0.976 674 P CB -0.410 30.580 31.700 -1.183 0.000 1.952 675 T N -2.663 111.823 114.554 -0.114 0.000 2.916 675 T HA 0.477 4.824 4.350 -0.006 0.000 0.292 675 T C -2.279 172.413 174.700 -0.014 0.000 1.055 675 T CA -2.545 59.522 62.100 -0.055 0.000 1.009 675 T CB 1.757 70.605 68.868 -0.034 0.000 1.118 675 T HN -0.295 nan 8.240 nan 0.000 0.497 676 P HA -0.118 nan 4.420 nan 0.000 0.218 676 P C 1.114 178.423 177.300 0.015 0.000 1.146 676 P CA 0.992 64.098 63.100 0.009 0.000 0.813 676 P CB 0.109 31.812 31.700 0.005 0.000 0.778 677 E N -2.114 118.092 120.200 0.010 0.000 2.463 677 E HA 0.071 4.417 4.350 -0.006 0.000 0.193 677 E C 0.546 177.158 176.600 0.020 0.000 1.041 677 E CA 0.256 56.664 56.400 0.013 0.000 0.879 677 E CB -0.008 29.695 29.700 0.006 0.000 0.997 677 E HN 0.218 nan 8.360 nan 0.000 0.478 678 D N 1.135 121.553 120.400 0.030 0.000 3.208 678 D HA 0.055 4.691 4.640 -0.006 0.000 0.193 678 D C -0.046 176.302 176.300 0.081 0.000 1.283 678 D CA -0.115 53.914 54.000 0.048 0.000 1.473 678 D CB 0.043 40.873 40.800 0.049 0.000 1.040 678 D HN 0.048 nan 8.370 nan 0.000 0.173 679 N N 0.303 119.083 118.700 0.132 0.000 2.451 679 N HA 0.099 4.835 4.740 -0.006 0.000 0.271 679 N C 0.846 176.553 175.510 0.328 0.000 1.410 679 N CA -0.059 53.121 53.050 0.216 0.000 0.884 679 N CB 0.164 38.796 38.487 0.242 0.000 1.332 679 N HN 0.096 nan 8.380 nan 0.000 0.498 680 L N 0.374 121.702 121.223 0.174 0.000 2.042 680 L HA -0.070 4.266 4.340 -0.006 0.000 0.210 680 L C 1.134 178.114 176.870 0.184 0.000 1.076 680 L CA 1.996 56.911 54.840 0.127 0.000 0.749 680 L CB -0.419 41.653 42.059 0.023 0.000 0.893 680 L HN 0.168 nan 8.230 nan 0.000 0.432 681 D N -1.606 118.886 120.400 0.153 0.000 2.123 681 D HA -0.241 4.395 4.640 -0.006 0.000 0.196 681 D C 2.064 178.466 176.300 0.170 0.000 0.992 681 D CA 1.693 55.773 54.000 0.133 0.000 0.833 681 D CB -0.178 40.686 40.800 0.106 0.000 0.954 681 D HN 0.567 nan 8.370 nan 0.000 0.455 682 H N -0.913 118.223 119.070 0.110 0.000 2.436 682 H HA -0.032 4.520 4.556 -0.006 0.000 0.294 682 H C 1.657 177.047 175.328 0.103 0.000 1.048 682 H CA 1.065 57.156 56.048 0.071 0.000 1.353 682 H CB -0.253 29.514 29.762 0.009 0.000 1.414 682 H HN 0.119 nan 8.280 nan 0.000 0.536 683 Y N 0.376 120.680 120.300 0.006 0.000 2.151 683 Y HA -0.217 4.329 4.550 -0.006 0.000 0.284 683 Y C 2.451 178.327 175.900 -0.039 0.000 1.166 683 Y CA 1.621 59.724 58.100 0.004 0.000 1.163 683 Y CB 0.097 38.585 38.460 0.047 0.000 0.974 683 Y HN 0.141 nan 8.280 nan 0.000 0.511 684 R N -0.150 120.432 120.500 0.136 0.000 2.119 684 R HA -0.044 4.292 4.340 -0.006 0.000 0.222 684 R C 1.303 177.607 176.300 0.007 0.000 1.088 684 R CA 1.069 57.203 56.100 0.057 0.000 0.984 684 R CB -0.834 29.500 30.300 0.056 0.000 0.884 684 R HN 0.546 nan 8.270 nan 0.000 0.447 685 N N 0.679 119.365 118.700 -0.023 0.000 2.461 685 N HA -0.048 4.688 4.740 -0.006 0.000 0.188 685 N C 0.169 175.624 175.510 -0.092 0.000 1.134 685 N CA 0.453 53.485 53.050 -0.031 0.000 0.878 685 N CB 0.283 38.795 38.487 0.042 0.000 0.972 685 N HN 0.096 nan 8.380 nan 0.000 0.456 686 S N -0.331 115.280 115.700 -0.147 0.000 2.751 686 S HA 0.077 4.543 4.470 -0.006 0.000 0.247 686 S C 0.249 174.896 174.600 0.077 0.000 1.103 686 S CA -0.858 57.294 58.200 -0.080 0.000 1.090 686 S CB -0.091 62.947 63.200 -0.270 0.000 0.928 686 S HN 0.101 nan 8.310 nan 0.000 0.502 687 T N -1.414 113.150 114.554 0.017 0.000 2.922 687 T HA 0.515 4.861 4.350 -0.006 0.000 0.285 687 T C 1.283 175.991 174.700 0.012 0.000 1.005 687 T CA -0.135 61.968 62.100 0.005 0.000 1.061 687 T CB 1.516 70.357 68.868 -0.045 0.000 1.007 687 T HN 0.543 nan 8.240 nan 0.000 0.502 688 V N 1.813 121.733 119.914 0.010 0.000 2.871 688 V HA 0.004 4.120 4.120 -0.006 0.000 0.256 688 V C 2.073 178.169 176.094 0.004 0.000 1.082 688 V CA 1.160 63.460 62.300 0.000 0.000 1.105 688 V CB -1.080 30.740 31.823 -0.006 0.000 0.713 688 V HN 0.854 nan 8.190 nan 0.000 0.473 689 M N 2.155 121.737 119.600 -0.030 0.000 2.117 689 M HA -0.096 4.380 4.480 -0.006 0.000 0.262 689 M C 2.368 178.660 176.300 -0.013 0.000 1.065 689 M CA 2.350 57.623 55.300 -0.045 0.000 1.114 689 M CB -0.767 31.812 32.600 -0.036 0.000 1.361 689 M HN 0.704 nan 8.290 nan 0.000 0.408 690 S N -0.430 115.270 115.700 -0.000 0.000 2.603 690 S HA -0.000 4.466 4.470 -0.006 0.000 0.229 690 S C 1.476 176.091 174.600 0.026 0.000 0.972 690 S CA 0.357 58.562 58.200 0.009 0.000 0.935 690 S CB -0.401 62.801 63.200 0.004 0.000 0.769 690 S HN 0.520 nan 8.310 nan 0.000 0.536 691 R N 0.128 120.660 120.500 0.053 0.000 2.546 691 R HA 0.471 4.807 4.340 -0.006 0.000 0.320 691 R C 1.897 178.324 176.300 0.211 0.000 1.021 691 R CA 0.410 56.559 56.100 0.081 0.000 1.088 691 R CB -0.025 30.299 30.300 0.040 0.000 1.278 691 R HN 0.421 nan 8.270 nan 0.000 0.557 692 A N 1.665 124.583 122.820 0.165 0.000 1.917 692 A HA -0.271 4.045 4.320 -0.006 0.000 0.219 692 A C 2.060 179.778 177.584 0.224 0.000 1.182 692 A CA 1.874 54.003 52.037 0.154 0.000 0.633 692 A CB -0.244 18.731 19.000 -0.042 0.000 0.819 692 A HN 0.305 nan 8.150 nan 0.000 0.448 693 E N 0.643 120.917 120.200 0.123 0.000 2.130 693 E HA -0.201 4.145 4.350 -0.006 0.000 0.196 693 E C 1.602 178.266 176.600 0.106 0.000 0.998 693 E CA 1.654 58.111 56.400 0.096 0.000 0.806 693 E CB -0.262 29.471 29.700 0.055 0.000 0.738 693 E HN 0.591 nan 8.360 nan 0.000 0.459 694 N N -0.584 118.164 118.700 0.080 0.000 2.550 694 N HA -0.090 4.646 4.740 -0.006 0.000 0.186 694 N C 0.632 176.090 175.510 -0.087 0.000 1.110 694 N CA 0.474 53.506 53.050 -0.029 0.000 0.912 694 N CB -0.103 38.311 38.487 -0.121 0.000 0.968 694 N HN 0.240 nan 8.380 nan 0.000 0.448 695 F N 1.341 121.257 119.950 -0.057 0.000 2.661 695 F HA 0.081 4.605 4.527 -0.006 0.000 0.298 695 F C 1.933 177.747 175.800 0.023 0.000 1.137 695 F CA 0.490 58.456 58.000 -0.056 0.000 1.454 695 F CB 0.089 39.021 39.000 -0.113 0.000 1.103 695 F HN -0.106 nan 8.300 nan 0.000 0.577 696 K N 0.107 120.614 120.400 0.178 0.000 2.520 696 K HA -0.173 4.143 4.320 -0.006 0.000 0.197 696 K C 1.252 177.911 176.600 0.097 0.000 1.043 696 K CA 0.936 57.302 56.287 0.132 0.000 0.944 696 K CB -0.215 32.343 32.500 0.097 0.000 0.770 696 K HN 0.459 nan 8.250 nan 0.000 0.480 697 Q N 0.221 120.058 119.800 0.061 0.000 2.282 697 Q HA 0.063 4.399 4.340 -0.006 0.000 0.206 697 Q C 0.024 176.058 176.000 0.058 0.000 0.878 697 Q CA -0.135 55.692 55.803 0.039 0.000 0.944 697 Q CB 1.008 29.744 28.738 -0.004 0.000 1.100 697 Q HN 0.112 nan 8.270 nan 0.000 0.509 698 V N -3.371 116.599 119.914 0.094 0.000 3.188 698 V HA 0.481 4.598 4.120 -0.006 0.000 0.305 698 V C -1.520 174.716 176.094 0.236 0.000 1.232 698 V CA -1.272 61.113 62.300 0.142 0.000 1.043 698 V CB 2.360 34.236 31.823 0.089 0.000 1.068 698 V HN -0.021 nan 8.190 nan 0.000 0.439 699 E N 1.824 122.194 120.200 0.283 0.000 2.115 699 E HA 0.439 4.786 4.350 -0.006 0.000 0.282 699 E C -1.818 175.151 176.600 0.616 0.000 0.987 699 E CA -0.407 56.229 56.400 0.394 0.000 0.797 699 E CB 1.599 31.468 29.700 0.283 0.000 1.086 699 E HN 0.653 nan 8.360 nan 0.000 0.397 700 Y N 3.403 123.958 120.300 0.425 0.000 2.377 700 Y HA 0.444 4.990 4.550 -0.006 0.000 0.339 700 Y C -1.398 174.563 175.900 0.102 0.000 1.011 700 Y CA -1.613 56.679 58.100 0.320 0.000 1.093 700 Y CB 0.983 39.651 38.460 0.348 0.000 1.201 700 Y HN 0.394 nan 8.280 nan 0.000 0.455 701 L N 7.532 128.523 121.223 -0.387 0.000 2.325 701 L HA 0.567 4.904 4.340 -0.006 0.000 0.281 701 L C -1.980 174.460 176.870 -0.718 0.000 1.004 701 L CA -0.800 53.625 54.840 -0.692 0.000 0.823 701 L CB 1.299 42.681 42.059 -1.128 0.000 1.236 701 L HN 0.632 nan 8.230 nan 0.000 0.415 702 L N 6.681 127.539 121.223 -0.609 0.000 2.305 702 L HA 0.687 5.023 4.340 -0.006 0.000 0.284 702 L C -1.228 175.505 176.870 -0.228 0.000 1.013 702 L CA 0.017 54.561 54.840 -0.493 0.000 0.819 702 L CB 1.169 42.938 42.059 -0.482 0.000 1.227 702 L HN 0.569 nan 8.230 nan 0.000 0.417 703 I N 4.845 125.296 120.570 -0.198 0.000 2.466 703 I HA 0.413 4.579 4.170 -0.006 0.000 0.289 703 I C -1.167 174.921 176.117 -0.048 0.000 1.026 703 I CA -0.575 60.665 61.300 -0.101 0.000 1.078 703 I CB 1.782 39.691 38.000 -0.151 0.000 1.249 703 I HN 0.685 nan 8.210 nan 0.000 0.429 704 H N 2.971 122.088 119.070 0.079 0.000 2.954 704 H HA 0.539 5.091 4.556 -0.006 0.000 0.361 704 H C -0.162 175.404 175.328 0.396 0.000 1.122 704 H CA -0.602 55.544 56.048 0.163 0.000 1.217 704 H CB 2.082 31.869 29.762 0.041 0.000 1.776 704 H HN 0.723 nan 8.280 nan 0.000 0.533 705 G N 1.091 110.250 108.800 0.599 0.000 2.415 705 G HA2 0.178 4.134 3.960 -0.006 0.000 0.269 705 G HA3 0.178 4.134 3.960 -0.006 0.000 0.269 705 G C 1.152 176.334 174.900 0.470 0.000 1.209 705 G CA 0.135 45.538 45.100 0.505 0.000 0.835 705 G HN 0.766 nan 8.290 nan 0.000 0.534 706 T N -0.433 114.248 114.554 0.211 0.000 2.857 706 T HA 0.016 4.362 4.350 -0.006 0.000 0.266 706 T C 1.980 176.651 174.700 -0.048 0.000 1.048 706 T CA 1.372 63.404 62.100 -0.113 0.000 1.139 706 T CB 0.013 68.752 68.868 -0.214 0.000 0.874 706 T HN 0.676 nan 8.240 nan 0.000 0.455 707 A N 1.231 124.108 122.820 0.095 0.000 2.411 707 A HA 0.262 4.578 4.320 -0.006 0.000 0.251 707 A C 0.577 178.145 177.584 -0.027 0.000 1.317 707 A CA -0.386 51.715 52.037 0.106 0.000 0.904 707 A CB -0.599 18.712 19.000 0.518 0.000 0.993 707 A HN 0.419 nan 8.150 nan 0.000 0.504 708 D N 1.354 121.752 120.400 -0.004 0.000 2.363 708 D HA 0.002 4.638 4.640 -0.006 0.000 0.263 708 D C 0.461 176.701 176.300 -0.099 0.000 1.258 708 D CA 0.170 54.248 54.000 0.128 0.000 0.907 708 D CB 0.673 41.710 40.800 0.395 0.000 1.107 708 D HN 0.557 nan 8.370 nan 0.000 0.495 709 D N 2.156 122.555 120.400 -0.002 0.000 2.346 709 D HA -0.096 4.540 4.640 -0.006 0.000 0.206 709 D C 1.124 177.372 176.300 -0.087 0.000 1.001 709 D CA 0.037 53.986 54.000 -0.084 0.000 0.871 709 D CB 0.137 40.830 40.800 -0.178 0.000 0.943 709 D HN 0.452 nan 8.370 nan 0.000 0.518 710 N N 0.393 119.154 118.700 0.102 0.000 2.187 710 N HA -0.054 4.683 4.740 -0.006 0.000 0.190 710 N C -0.125 175.328 175.510 -0.096 0.000 1.052 710 N CA 0.455 53.606 53.050 0.168 0.000 0.863 710 N CB 0.564 39.132 38.487 0.134 0.000 1.041 710 N HN -0.167 nan 8.380 nan 0.000 0.447 711 V N 2.145 122.019 119.914 -0.066 0.000 2.348 711 V HA 0.204 4.320 4.120 -0.006 0.000 0.270 711 V C -0.770 175.378 176.094 0.090 0.000 1.037 711 V CA -0.364 61.937 62.300 0.003 0.000 0.872 711 V CB 0.327 32.196 31.823 0.077 0.000 1.002 711 V HN 0.327 nan 8.190 nan 0.000 0.464 712 H N 3.213 122.263 119.070 -0.033 0.000 2.790 712 H HA 0.065 4.617 4.556 -0.006 0.000 0.358 712 H C 0.709 175.875 175.328 -0.269 0.000 1.103 712 H CA -0.204 55.734 56.048 -0.183 0.000 1.426 712 H CB 0.907 30.475 29.762 -0.323 0.000 1.424 712 H HN 0.646 nan 8.280 nan 0.000 0.599 713 F N 1.730 121.436 119.950 -0.407 0.000 2.202 713 F HA -0.290 4.233 4.527 -0.006 0.000 0.301 713 F C 2.597 178.098 175.800 -0.498 0.000 1.082 713 F CA 1.700 59.244 58.000 -0.759 0.000 1.313 713 F CB -0.176 38.575 39.000 -0.414 0.000 1.024 713 F HN 0.678 nan 8.300 nan 0.000 0.495 714 Q N 0.297 119.957 119.800 -0.233 0.000 2.084 714 Q HA -0.386 3.950 4.340 -0.006 0.000 0.215 714 Q C 2.162 177.912 176.000 -0.416 0.000 1.020 714 Q CA 2.848 58.454 55.803 -0.328 0.000 0.887 714 Q CB -0.498 28.009 28.738 -0.385 0.000 0.975 714 Q HN 0.588 nan 8.270 nan 0.000 0.413 715 Q N -0.455 119.143 119.800 -0.336 0.000 2.077 715 Q HA -0.168 4.168 4.340 -0.006 0.000 0.206 715 Q C 2.295 178.211 176.000 -0.140 0.000 0.989 715 Q CA 1.950 57.686 55.803 -0.112 0.000 0.853 715 Q CB -0.221 28.540 28.738 0.037 0.000 0.907 715 Q HN 0.374 nan 8.270 nan 0.000 0.418 716 S N 0.555 116.081 115.700 -0.291 0.000 2.414 716 S HA 0.007 4.473 4.470 -0.006 0.000 0.227 716 S C 2.069 176.424 174.600 -0.408 0.000 1.022 716 S CA 0.651 58.674 58.200 -0.296 0.000 0.958 716 S CB -0.133 62.913 63.200 -0.257 0.000 0.797 716 S HN 0.481 nan 8.310 nan 0.000 0.493 717 A N 1.825 124.287 122.820 -0.596 0.000 1.892 717 A HA -0.192 4.125 4.320 -0.006 0.000 0.218 717 A C 2.105 179.575 177.584 -0.189 0.000 1.188 717 A CA 1.381 53.198 52.037 -0.366 0.000 0.631 717 A CB -0.547 18.296 19.000 -0.261 0.000 0.822 717 A HN 0.393 nan 8.150 nan 0.000 0.447 718 Q N -0.640 119.062 119.800 -0.163 0.000 2.230 718 Q HA -0.009 4.327 4.340 -0.006 0.000 0.202 718 Q C 2.070 178.017 176.000 -0.088 0.000 0.963 718 Q CA 0.960 56.723 55.803 -0.066 0.000 0.866 718 Q CB -0.326 28.447 28.738 0.059 0.000 0.931 718 Q HN 0.804 nan 8.270 nan 0.000 0.452 719 I N 0.984 121.472 120.570 -0.136 0.000 2.233 719 I HA -0.262 3.905 4.170 -0.006 0.000 0.243 719 I C 2.541 178.477 176.117 -0.301 0.000 1.093 719 I CA 1.345 62.521 61.300 -0.207 0.000 1.380 719 I CB -0.391 37.496 38.000 -0.188 0.000 1.067 719 I HN 0.167 nan 8.210 nan 0.000 0.413 720 S N 1.094 116.640 115.700 -0.256 0.000 2.359 720 S HA -0.299 4.167 4.470 -0.006 0.000 0.224 720 S C 2.038 176.580 174.600 -0.095 0.000 1.035 720 S CA 1.564 59.636 58.200 -0.213 0.000 1.018 720 S CB -0.576 62.669 63.200 0.074 0.000 0.876 720 S HN 0.360 nan 8.310 nan 0.000 0.448 721 K N 1.935 122.300 120.400 -0.059 0.000 2.074 721 K HA -0.077 4.239 4.320 -0.006 0.000 0.209 721 K C 2.221 178.793 176.600 -0.047 0.000 1.048 721 K CA 1.386 57.658 56.287 -0.024 0.000 0.926 721 K CB -0.708 31.780 32.500 -0.021 0.000 0.713 721 K HN 0.468 nan 8.250 nan 0.000 0.444 722 A N 0.746 123.508 122.820 -0.096 0.000 1.968 722 A HA -0.034 4.282 4.320 -0.006 0.000 0.217 722 A C 2.037 179.540 177.584 -0.136 0.000 1.169 722 A CA 1.036 53.013 52.037 -0.100 0.000 0.638 722 A CB -0.422 18.513 19.000 -0.107 0.000 0.812 722 A HN 0.322 nan 8.150 nan 0.000 0.446 723 L N -0.744 120.329 121.223 -0.251 0.000 2.109 723 L HA -0.106 4.230 4.340 -0.006 0.000 0.207 723 L C 2.420 179.280 176.870 -0.017 0.000 1.086 723 L CA 0.723 55.408 54.840 -0.260 0.000 0.760 723 L CB -0.539 41.106 42.059 -0.689 0.000 0.910 723 L HN 0.218 nan 8.230 nan 0.000 0.437 724 V N -0.322 119.623 119.914 0.052 0.000 2.358 724 V HA -0.250 3.866 4.120 -0.006 0.000 0.246 724 V C 1.968 178.098 176.094 0.059 0.000 1.047 724 V CA 1.698 64.070 62.300 0.120 0.000 1.035 724 V CB -0.470 31.434 31.823 0.134 0.000 0.658 724 V HN 0.417 nan 8.190 nan 0.000 0.452 725 D N 0.382 120.796 120.400 0.024 0.000 2.309 725 D HA -0.099 4.537 4.640 -0.006 0.000 0.212 725 D C 1.642 177.955 176.300 0.023 0.000 0.968 725 D CA 1.696 55.707 54.000 0.019 0.000 0.882 725 D CB 0.126 40.929 40.800 0.006 0.000 0.918 725 D HN 0.581 nan 8.370 nan 0.000 0.503 726 V N -4.593 115.337 119.914 0.026 0.000 3.380 726 V HA 0.520 4.636 4.120 -0.006 0.000 0.307 726 V C 1.136 177.263 176.094 0.054 0.000 1.434 726 V CA 0.192 62.513 62.300 0.035 0.000 1.075 726 V CB 0.248 32.090 31.823 0.032 0.000 0.954 726 V HN 0.084 nan 8.190 nan 0.000 0.444 727 G N 0.603 109.444 108.800 0.068 0.000 2.212 727 G HA2 -0.174 3.782 3.960 -0.006 0.000 0.255 727 G HA3 -0.174 3.782 3.960 -0.006 0.000 0.255 727 G C -0.123 174.844 174.900 0.112 0.000 1.062 727 G CA 0.158 45.309 45.100 0.084 0.000 0.815 727 G HN 0.791 nan 8.290 nan 0.000 0.497 728 V N 0.625 120.624 119.914 0.142 0.000 2.407 728 V HA 0.440 4.556 4.120 -0.006 0.000 0.278 728 V C 0.481 176.765 176.094 0.317 0.000 1.037 728 V CA -0.413 62.003 62.300 0.193 0.000 0.900 728 V CB 1.682 33.601 31.823 0.161 0.000 0.983 728 V HN 0.457 nan 8.190 nan 0.000 0.459 729 D N 4.340 124.902 120.400 0.270 0.000 2.302 729 D HA 0.563 5.199 4.640 -0.006 0.000 0.248 729 D C -0.498 176.045 176.300 0.405 0.000 1.094 729 D CA 0.235 54.389 54.000 0.257 0.000 0.897 729 D CB 0.687 41.565 40.800 0.131 0.000 1.200 729 D HN 0.365 nan 8.370 nan 0.000 0.429 730 F N -0.602 119.415 119.950 0.111 0.000 2.831 730 F HA 0.479 5.002 4.527 -0.006 0.000 0.318 730 F C -1.483 174.352 175.800 0.059 0.000 1.174 730 F CA -1.108 56.972 58.000 0.133 0.000 0.918 730 F CB 0.957 40.049 39.000 0.153 0.000 1.364 730 F HN 0.142 nan 8.300 nan 0.000 0.475 731 Q N 1.158 120.975 119.800 0.029 0.000 2.377 731 Q HA 0.805 5.142 4.340 -0.006 0.000 0.271 731 Q C -1.256 174.673 176.000 -0.119 0.000 1.077 731 Q CA -1.314 54.410 55.803 -0.132 0.000 0.820 731 Q CB 2.609 31.321 28.738 -0.043 0.000 1.347 731 Q HN 0.981 nan 8.270 nan 0.000 0.444 732 A N 1.869 124.603 122.820 -0.145 0.000 2.498 732 A HA 0.841 5.157 4.320 -0.006 0.000 0.298 732 A C -1.419 176.087 177.584 -0.129 0.000 1.075 732 A CA -0.573 51.421 52.037 -0.072 0.000 0.714 732 A CB 1.942 20.968 19.000 0.043 0.000 1.299 732 A HN 0.634 nan 8.150 nan 0.000 0.407 733 M N 1.669 121.186 119.600 -0.140 0.000 2.324 733 M HA 0.629 5.105 4.480 -0.006 0.000 0.288 733 M C -1.827 174.384 176.300 -0.148 0.000 1.097 733 M CA -0.714 54.383 55.300 -0.337 0.000 0.928 733 M CB 1.367 33.674 32.600 -0.489 0.000 1.648 733 M HN 0.868 nan 8.290 nan 0.000 0.460 734 W N 4.486 125.637 121.300 -0.249 0.000 2.570 734 W HA 0.771 5.427 4.660 -0.006 0.000 0.337 734 W C -2.153 174.120 176.519 -0.410 0.000 1.067 734 W CA -0.911 56.371 57.345 -0.105 0.000 1.229 734 W CB 0.394 29.843 29.460 -0.018 0.000 1.355 734 W HN 0.591 nan 8.180 nan 0.000 0.555 735 Y N 2.326 122.769 120.300 0.238 0.000 2.328 735 Y HA 0.339 4.885 4.550 -0.006 0.000 0.333 735 Y C 0.500 176.527 175.900 0.211 0.000 0.958 735 Y CA -1.121 57.045 58.100 0.110 0.000 1.167 735 Y CB 1.719 40.210 38.460 0.051 0.000 1.151 735 Y HN 0.420 nan 8.280 nan 0.000 0.470 736 T N 4.416 119.152 114.554 0.304 0.000 2.829 736 T HA 0.026 4.372 4.350 -0.006 0.000 0.293 736 T C 0.105 174.885 174.700 0.133 0.000 0.970 736 T CA 0.311 62.527 62.100 0.194 0.000 1.168 736 T CB -0.025 68.896 68.868 0.089 0.000 0.911 736 T HN 0.727 nan 8.240 nan 0.000 0.535 737 D N 0.373 120.827 120.400 0.091 0.000 2.978 737 D HA -0.129 4.507 4.640 -0.006 0.000 0.205 737 D C 0.343 176.787 176.300 0.241 0.000 1.093 737 D CA 1.247 55.249 54.000 0.004 0.000 1.006 737 D CB -0.459 40.112 40.800 -0.381 0.000 1.116 737 D HN 0.538 nan 8.370 nan 0.000 0.419 738 E N 1.014 121.362 120.200 0.247 0.000 2.373 738 E HA 0.347 4.694 4.350 -0.006 0.000 0.263 738 E C 0.769 177.548 176.600 0.299 0.000 1.073 738 E CA -0.084 56.475 56.400 0.266 0.000 0.894 738 E CB 0.976 30.816 29.700 0.234 0.000 1.008 738 E HN 0.407 nan 8.360 nan 0.000 0.420 739 D N -0.735 119.849 120.400 0.307 0.000 2.624 739 D HA 0.033 4.669 4.640 -0.006 0.000 0.257 739 D C 1.035 177.552 176.300 0.361 0.000 1.167 739 D CA -0.323 53.880 54.000 0.337 0.000 1.086 739 D CB -0.243 40.781 40.800 0.373 0.000 1.210 739 D HN 0.398 nan 8.370 nan 0.000 0.631 740 H N -1.432 117.808 119.070 0.282 0.000 2.460 740 H HA 0.048 4.601 4.556 -0.007 0.000 0.297 740 H C 1.850 177.405 175.328 0.378 0.000 1.103 740 H CA 2.294 58.528 56.048 0.310 0.000 1.292 740 H CB -0.364 29.561 29.762 0.272 0.000 1.376 740 H HN 0.497 nan 8.280 nan 0.000 0.531 741 G N -0.457 108.485 108.800 0.237 0.000 2.777 741 G HA2 0.021 3.978 3.960 -0.006 0.000 0.211 741 G HA3 0.021 3.978 3.960 -0.006 0.000 0.211 741 G C 0.626 175.661 174.900 0.225 0.000 1.149 741 G CA 0.243 45.402 45.100 0.099 0.000 0.785 741 G HN 0.507 nan 8.290 nan 0.000 0.536 742 I N 0.205 120.944 120.570 0.282 0.000 3.859 742 I HA -0.338 3.828 4.170 -0.006 0.000 0.126 742 I C 1.602 177.822 176.117 0.173 0.000 1.065 742 I CA 0.165 61.577 61.300 0.187 0.000 2.735 742 I CB -1.005 37.047 38.000 0.086 0.000 1.465 742 I HN 0.249 nan 8.210 nan 0.000 0.341 743 A N 0.763 123.673 122.820 0.150 0.000 2.390 743 A HA 0.277 4.593 4.320 -0.006 0.000 0.232 743 A C 1.132 178.768 177.584 0.086 0.000 1.233 743 A CA 0.077 52.180 52.037 0.111 0.000 0.907 743 A CB 0.267 19.309 19.000 0.069 0.000 0.967 743 A HN 0.423 nan 8.150 nan 0.000 0.512 744 S N 0.349 116.112 115.700 0.105 0.000 2.558 744 S HA 0.050 4.516 4.470 -0.006 0.000 0.291 744 S C 1.580 176.234 174.600 0.090 0.000 1.306 744 S CA 0.505 58.760 58.200 0.092 0.000 1.056 744 S CB 1.013 64.271 63.200 0.097 0.000 0.836 744 S HN 0.573 nan 8.310 nan 0.000 0.504 745 S N 2.488 118.225 115.700 0.062 0.000 2.368 745 S HA -0.192 4.274 4.470 -0.006 0.000 0.226 745 S C 2.262 176.921 174.600 0.097 0.000 1.044 745 S CA 2.255 60.490 58.200 0.058 0.000 1.062 745 S CB -0.713 62.504 63.200 0.029 0.000 0.931 745 S HN 0.968 nan 8.310 nan 0.000 0.440 746 T N -0.438 114.164 114.554 0.080 0.000 2.904 746 T HA 0.242 4.588 4.350 -0.006 0.000 0.267 746 T C 1.914 176.673 174.700 0.098 0.000 1.059 746 T CA 1.158 63.309 62.100 0.084 0.000 1.137 746 T CB -0.695 68.213 68.868 0.066 0.000 0.879 746 T HN 0.423 nan 8.240 nan 0.000 0.467 747 A N 1.634 124.496 122.820 0.069 0.000 1.873 747 A HA -0.079 4.237 4.320 -0.006 0.000 0.215 747 A C 2.192 179.745 177.584 -0.051 0.000 1.186 747 A CA 1.948 53.967 52.037 -0.030 0.000 0.616 747 A CB -1.319 17.633 19.000 -0.081 0.000 0.823 747 A HN 0.745 nan 8.150 nan 0.000 0.442 748 H N -0.236 118.820 119.070 -0.023 0.000 2.353 748 H HA -0.175 4.378 4.556 -0.006 0.000 0.298 748 H C 2.101 177.496 175.328 0.112 0.000 1.103 748 H CA 2.405 58.490 56.048 0.061 0.000 1.293 748 H CB -0.143 29.661 29.762 0.070 0.000 1.372 748 H HN 0.588 nan 8.280 nan 0.000 0.501 749 Q N -1.058 118.774 119.800 0.054 0.000 2.083 749 Q HA -0.156 4.180 4.340 -0.006 0.000 0.198 749 Q C 2.251 178.252 176.000 0.001 0.000 0.969 749 Q CA 1.215 57.015 55.803 -0.005 0.000 0.838 749 Q CB -0.172 28.589 28.738 0.039 0.000 0.900 749 Q HN 0.625 nan 8.270 nan 0.000 0.436 750 H N 0.733 119.786 119.070 -0.029 0.000 2.353 750 H HA -0.118 4.434 4.556 -0.006 0.000 0.300 750 H C 2.050 177.377 175.328 -0.002 0.000 1.090 750 H CA 1.495 57.555 56.048 0.020 0.000 1.327 750 H CB -0.010 29.820 29.762 0.115 0.000 1.383 750 H HN 0.293 nan 8.280 nan 0.000 0.508 751 I N 0.102 120.642 120.570 -0.050 0.000 2.202 751 I HA -0.330 3.837 4.170 -0.006 0.000 0.242 751 I C 1.885 177.744 176.117 -0.430 0.000 1.091 751 I CA 1.291 62.458 61.300 -0.222 0.000 1.368 751 I CB -0.309 37.393 38.000 -0.496 0.000 1.058 751 I HN 0.167 nan 8.210 nan 0.000 0.410 752 Y N 0.970 121.055 120.300 -0.359 0.000 2.224 752 Y HA -0.255 4.291 4.550 -0.006 0.000 0.289 752 Y C 2.730 178.426 175.900 -0.340 0.000 1.146 752 Y CA 2.029 59.825 58.100 -0.506 0.000 1.182 752 Y CB -0.913 37.269 38.460 -0.463 0.000 0.983 752 Y HN 0.169 nan 8.280 nan 0.000 0.524 753 T N -1.554 112.916 114.554 -0.140 0.000 2.720 753 T HA -0.278 4.069 4.350 -0.006 0.000 0.268 753 T C 1.526 176.090 174.700 -0.228 0.000 1.037 753 T CA 2.050 64.031 62.100 -0.199 0.000 1.144 753 T CB -0.466 68.292 68.868 -0.183 0.000 0.864 753 T HN 0.469 nan 8.240 nan 0.000 0.444 754 H N 0.521 119.435 119.070 -0.260 0.000 2.363 754 H HA 0.204 4.757 4.556 -0.006 0.000 0.301 754 H C 2.206 177.485 175.328 -0.082 0.000 1.074 754 H CA 1.227 57.187 56.048 -0.147 0.000 1.354 754 H CB -0.195 29.466 29.762 -0.168 0.000 1.397 754 H HN 0.211 nan 8.280 nan 0.000 0.516 755 M N -0.619 118.889 119.600 -0.155 0.000 2.213 755 M HA -0.168 4.308 4.480 -0.006 0.000 0.263 755 M C 2.317 178.663 176.300 0.077 0.000 1.062 755 M CA 1.336 56.525 55.300 -0.184 0.000 1.105 755 M CB -0.030 32.199 32.600 -0.618 0.000 1.385 755 M HN 0.242 nan 8.290 nan 0.000 0.417 756 S N -0.553 115.213 115.700 0.110 0.000 2.348 756 S HA -0.167 4.299 4.470 -0.006 0.000 0.221 756 S C 1.589 176.273 174.600 0.139 0.000 1.033 756 S CA 1.273 59.647 58.200 0.289 0.000 1.010 756 S CB -0.583 62.763 63.200 0.243 0.000 0.891 756 S HN 0.550 nan 8.310 nan 0.000 0.442 757 H N -0.630 118.482 119.070 0.071 0.000 2.353 757 H HA -0.119 4.433 4.556 -0.006 0.000 0.298 757 H C 1.937 177.258 175.328 -0.012 0.000 1.103 757 H CA 1.738 57.789 56.048 0.004 0.000 1.293 757 H CB -0.212 29.508 29.762 -0.070 0.000 1.372 757 H HN 0.381 nan 8.280 nan 0.000 0.501 758 F N 0.929 120.851 119.950 -0.047 0.000 2.134 758 F HA -0.214 4.309 4.527 -0.007 0.000 0.299 758 F C 1.987 177.737 175.800 -0.083 0.000 1.097 758 F CA 0.954 58.902 58.000 -0.087 0.000 1.264 758 F CB -0.128 38.793 39.000 -0.132 0.000 1.001 758 F HN 0.051 nan 8.300 nan 0.000 0.479 759 I N 0.819 121.373 120.570 -0.026 0.000 2.163 759 I HA -0.270 3.897 4.170 -0.006 0.000 0.240 759 I C 2.233 178.145 176.117 -0.341 0.000 1.081 759 I CA 1.496 62.619 61.300 -0.295 0.000 1.353 759 I CB -1.397 36.519 38.000 -0.141 0.000 1.054 759 I HN 0.186 nan 8.210 nan 0.000 0.407 760 K N 0.338 120.684 120.400 -0.091 0.000 2.152 760 K HA -0.241 4.075 4.320 -0.006 0.000 0.206 760 K C 2.057 178.639 176.600 -0.030 0.000 1.048 760 K CA 1.224 57.511 56.287 0.001 0.000 0.933 760 K CB -0.209 32.349 32.500 0.096 0.000 0.721 760 K HN 0.437 nan 8.250 nan 0.000 0.447 761 Q N 0.950 120.684 119.800 -0.109 0.000 2.083 761 Q HA -0.180 4.156 4.340 -0.006 0.000 0.198 761 Q C 2.294 178.186 176.000 -0.180 0.000 0.969 761 Q CA 1.579 57.301 55.803 -0.134 0.000 0.838 761 Q CB -0.302 28.332 28.738 -0.173 0.000 0.900 761 Q HN 0.425 nan 8.270 nan 0.000 0.436 762 c N 0.257 118.641 118.600 -0.360 0.000 2.440 762 c HA -0.030 4.536 4.570 -0.006 0.000 0.278 762 c C 1.956 176.069 174.090 0.039 0.000 1.295 762 c CA 0.230 56.371 56.329 -0.313 0.000 1.738 762 c CB -1.182 40.971 42.510 -0.595 0.000 1.987 762 c HN 0.558 nan 8.230 nan 0.000 0.492 763 F N 1.673 121.583 119.950 -0.066 0.000 2.693 763 F HA 0.277 4.800 4.527 -0.006 0.000 0.303 763 F C 1.567 177.355 175.800 -0.020 0.000 1.097 763 F CA 0.111 58.096 58.000 -0.025 0.000 1.330 763 F CB -1.327 37.668 39.000 -0.008 0.000 1.067 763 F HN 0.172 nan 8.300 nan 0.000 0.565 764 S N 1.067 116.849 115.700 0.137 0.000 3.631 764 S HA -0.207 4.259 4.470 -0.006 0.000 0.366 764 S C 0.017 174.664 174.600 0.079 0.000 0.993 764 S CA 0.140 58.385 58.200 0.075 0.000 1.167 764 S CB -1.993 61.241 63.200 0.057 0.000 0.909 764 S HN 0.243 nan 8.310 nan 0.000 0.478 765 L N 1.779 123.059 121.223 0.094 0.000 2.307 765 L HA 0.499 4.835 4.340 -0.006 0.000 0.282 765 L C -1.099 175.814 176.870 0.072 0.000 1.051 765 L CA -2.185 52.708 54.840 0.088 0.000 0.804 765 L CB 0.490 42.616 42.059 0.111 0.000 1.197 765 L HN 0.067 nan 8.230 nan 0.000 0.431 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.135 63.100 0.059 0.000 0.800 766 P CB 0.000 31.731 31.700 0.052 0.000 0.726