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 3ccc_1_A DATA FIRST_RESID 41 DATA SEQUENCE KTYTLTDYLK NTYRLKLYSL RWISDHEYLY KQXXNILVFN AEYGNSSVFL DATA SEQUENCE ENSTFDEFGH SINDYSISPD GQFILLEYNY VKQWRHSYTA SYDIYDLNKR DATA SEQUENCE QLITEERIPN NTQWVTWSPV GHKLAYVWNN DIYVKIEPNL PSYRITWTGK DATA SEQUENCE EDIIYNGITD WVYEEEVFSA YSALWWSPNG TFLAYAQFND TEVPLIEYSF DATA SEQUENCE YSDESLQYPK TVRVPYPKAG AVNPTVKFFV VNTDSLSSVT NATSIQITAP DATA SEQUENCE ASMLIGDHYL CDVTWATQER ISLQWLRRIQ NYSVMDIcDY DESSGRWNcL DATA SEQUENCE VARQHIEMST TGWVGRFRPS EPHFTLDGNS FYKIISNEEG YRHIcYFQID DATA SEQUENCE KKDcTFITKG TWEVIGIEAL TSDYLYYISN EYKGMPGGRN LYKIQLSDYT DATA SEQUENCE KVTCLSCELN PERcQYYSVS FSKEAKYYQL RcSGPGLPLY TLHSSVNDKG DATA SEQUENCE LRVLEDNSAL DKMLQNVQMP SKKLDFIILN ETKFWYQMIL PPHFDKSKKY DATA SEQUENCE PLLLDVYAGP CSQKADTVFR LNWATYLAST ENIIVASFDG RGSGYQGDKI DATA SEQUENCE MHAINRRLGT FEVEDQIEAA RQFSKMGFVD NKRIAIWGWS YGGYVTSMVL DATA SEQUENCE GSGSGVFKcG IAVAPVSRWE YYDSVYTERY MGLPTPEDNL DHYRNSTVMS DATA SEQUENCE RAENFKQVEY LLIHGTADDN VHFQQSAQIS KALVDVGVDF QAMWYTDEDH DATA SEQUENCE GIASSTAHQH IYTHMSHFIK QcFSLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 41 K HA 0.000 nan 4.320 nan 0.000 0.191 41 K C 0.000 176.669 176.600 0.115 0.000 0.988 41 K CA 0.000 56.352 56.287 0.109 0.000 0.838 41 K CB 0.000 32.575 32.500 0.124 0.000 1.064 42 T N -2.378 112.258 114.554 0.137 0.000 2.864 42 T HA 0.404 5.781 4.350 1.712 0.000 0.289 42 T C -1.285 173.547 174.700 0.220 0.000 1.082 42 T CA -0.703 61.491 62.100 0.158 0.000 1.009 42 T CB 0.827 69.787 68.868 0.154 0.000 1.234 42 T HN 0.458 nan 8.240 nan 0.000 0.526 43 Y N 2.962 123.326 120.300 0.107 0.000 2.627 43 Y HA 0.377 5.649 4.550 1.203 0.000 0.347 43 Y C 1.131 177.193 175.900 0.269 0.000 1.099 43 Y CA -0.470 57.730 58.100 0.167 0.000 1.408 43 Y CB -0.553 37.965 38.460 0.096 0.000 1.247 43 Y HN 0.990 nan 8.280 nan 0.000 0.506 44 T N 1.410 116.008 114.554 0.074 0.000 2.766 44 T HA 0.021 5.398 4.350 1.712 0.000 0.295 44 T C 1.163 175.813 174.700 -0.083 0.000 1.024 44 T CA -0.615 61.549 62.100 0.108 0.000 1.018 44 T CB 0.979 69.872 68.868 0.042 0.000 1.002 44 T HN 0.654 nan 8.240 nan 0.000 0.532 45 L N 1.200 122.216 121.223 -0.345 0.000 2.131 45 L HA 0.021 5.388 4.340 1.712 0.000 0.210 45 L C 2.618 179.330 176.870 -0.263 0.000 1.092 45 L CA 2.028 56.459 54.840 -0.681 0.000 0.759 45 L CB -1.424 40.031 42.059 -1.008 0.000 0.903 45 L HN 0.968 nan 8.230 nan 0.000 0.435 46 T N -0.499 113.943 114.554 -0.188 0.000 2.708 46 T HA -0.160 5.217 4.350 1.712 0.000 0.266 46 T C 1.465 176.071 174.700 -0.157 0.000 1.037 46 T CA 1.474 63.490 62.100 -0.140 0.000 1.146 46 T CB -0.338 68.472 68.868 -0.096 0.000 0.865 46 T HN 0.403 nan 8.240 nan 0.000 0.435 47 D N 0.235 120.518 120.400 -0.194 0.000 2.133 47 D HA -0.127 5.540 4.640 1.712 0.000 0.195 47 D C 1.737 177.904 176.300 -0.222 0.000 0.997 47 D CA 1.210 55.058 54.000 -0.252 0.000 0.840 47 D CB -0.424 40.159 40.800 -0.363 0.000 0.947 47 D HN 0.451 nan 8.370 nan 0.000 0.452 48 Y N 1.186 121.264 120.300 -0.370 0.000 2.200 48 Y HA -0.066 4.841 4.550 0.596 0.000 0.290 48 Y C 2.084 177.970 175.900 -0.023 0.000 1.137 48 Y CA 1.175 59.222 58.100 -0.088 0.000 1.163 48 Y CB -0.429 38.062 38.460 0.050 0.000 0.988 48 Y HN -0.085 nan 8.280 nan 0.000 0.518 49 L N -0.061 120.959 121.223 -0.339 0.000 2.418 49 L HA -0.020 5.347 4.340 1.712 0.000 0.218 49 L C 1.494 178.242 176.870 -0.203 0.000 1.125 49 L CA 0.717 55.339 54.840 -0.364 0.000 0.835 49 L CB -0.216 41.702 42.059 -0.235 0.000 0.953 49 L HN 0.006 nan 8.230 nan 0.000 0.454 50 K N -0.139 120.166 120.400 -0.159 0.000 2.387 50 K HA 0.188 5.535 4.320 1.712 0.000 0.203 50 K C -0.161 176.380 176.600 -0.099 0.000 1.030 50 K CA -0.146 56.073 56.287 -0.113 0.000 1.099 50 K CB 0.319 32.757 32.500 -0.103 0.000 0.863 50 K HN 0.138 nan 8.250 nan 0.000 0.529 51 N N 1.152 119.800 118.700 -0.087 0.000 2.725 51 N HA -0.183 5.584 4.740 1.712 0.000 0.251 51 N C 0.326 175.803 175.510 -0.056 0.000 1.031 51 N CA 0.570 53.608 53.050 -0.020 0.000 0.720 51 N CB -0.924 37.552 38.487 -0.018 0.000 0.930 51 N HN 0.125 nan 8.380 nan 0.000 0.543 52 T N -0.967 113.499 114.554 -0.147 0.000 2.665 52 T HA -0.213 5.164 4.350 1.712 0.000 0.268 52 T C 0.447 174.884 174.700 -0.437 0.000 1.035 52 T CA 1.459 63.334 62.100 -0.376 0.000 1.151 52 T CB -0.154 68.339 68.868 -0.624 0.000 0.862 52 T HN 0.354 nan 8.240 nan 0.000 0.438 53 Y N 1.981 122.372 120.300 0.152 0.000 2.593 53 Y HA 0.443 5.988 4.550 1.658 0.000 0.331 53 Y C 0.546 176.559 175.900 0.188 0.000 0.986 53 Y CA -0.988 57.231 58.100 0.199 0.000 1.262 53 Y CB 0.216 38.865 38.460 0.316 0.000 1.098 53 Y HN -0.113 nan 8.280 nan 0.000 0.506 54 R N 3.080 123.711 120.500 0.219 0.000 2.410 54 R HA 0.469 5.836 4.340 1.712 0.000 0.288 54 R C -0.836 175.573 176.300 0.182 0.000 1.051 54 R CA -0.760 55.441 56.100 0.168 0.000 1.021 54 R CB 1.113 31.468 30.300 0.091 0.000 1.032 54 R HN 0.593 nan 8.270 nan 0.000 0.481 55 L N 4.111 125.441 121.223 0.178 0.000 2.261 55 L HA 0.256 5.623 4.340 1.712 0.000 0.289 55 L C 0.177 177.118 176.870 0.119 0.000 1.059 55 L CA -0.320 54.627 54.840 0.177 0.000 0.816 55 L CB 0.556 42.744 42.059 0.215 0.000 1.191 55 L HN 0.358 nan 8.230 nan 0.000 0.431 56 K N 5.140 125.594 120.400 0.090 0.000 2.379 56 K HA 0.311 5.658 4.320 1.712 0.000 0.284 56 K C -0.387 176.190 176.600 -0.039 0.000 1.044 56 K CA -0.359 55.943 56.287 0.025 0.000 0.974 56 K CB 0.652 33.163 32.500 0.020 0.000 0.962 56 K HN 0.400 nan 8.250 nan 0.000 0.474 57 L N 0.981 122.138 121.223 -0.109 0.000 2.365 57 L HA 0.469 5.836 4.340 1.712 0.000 0.267 57 L C -0.469 176.078 176.870 -0.538 0.000 1.033 57 L CA -0.874 53.759 54.840 -0.344 0.000 0.802 57 L CB -0.176 41.880 42.059 -0.005 0.000 1.267 57 L HN 0.570 nan 8.230 nan 0.000 0.457 58 Y N 0.303 119.929 120.300 -1.122 0.000 2.686 58 Y HA 0.406 5.982 4.550 1.710 0.000 0.331 58 Y C -0.058 175.689 175.900 -0.255 0.000 0.996 58 Y CA -0.156 57.567 58.100 -0.629 0.000 1.293 58 Y CB 1.203 39.197 38.460 -0.777 0.000 1.092 58 Y HN 0.714 nan 8.280 nan 0.000 0.524 59 S N 6.145 121.804 115.700 -0.067 0.000 2.430 59 S HA 0.581 6.078 4.470 1.712 0.000 0.289 59 S C -0.829 173.792 174.600 0.034 0.000 1.143 59 S CA -0.527 57.693 58.200 0.033 0.000 1.067 59 S CB -0.301 62.924 63.200 0.042 0.000 0.964 59 S HN 0.608 nan 8.310 nan 0.000 0.485 60 L N 2.876 124.074 121.223 -0.042 0.000 2.309 60 L HA 0.813 6.179 4.340 1.712 0.000 0.261 60 L C -0.542 176.258 176.870 -0.116 0.000 1.021 60 L CA -0.832 53.923 54.840 -0.141 0.000 0.823 60 L CB 1.371 43.061 42.059 -0.615 0.000 1.366 60 L HN 0.342 nan 8.230 nan 0.000 0.423 61 R N 1.103 121.562 120.500 -0.069 0.000 2.500 61 R HA 0.330 5.697 4.340 1.712 0.000 0.299 61 R C -1.727 174.605 176.300 0.052 0.000 1.038 61 R CA -0.349 55.762 56.100 0.019 0.000 0.903 61 R CB 1.126 31.467 30.300 0.068 0.000 1.177 61 R HN 0.717 nan 8.270 nan 0.000 0.455 62 W N 2.738 124.130 121.300 0.153 0.000 2.170 62 W HA 0.042 5.730 4.660 1.712 0.000 0.342 62 W C 1.351 177.932 176.519 0.104 0.000 1.294 62 W CA -0.083 57.361 57.345 0.166 0.000 1.246 62 W CB 0.332 29.882 29.460 0.150 0.000 1.156 62 W HN 0.547 nan 8.180 nan 0.000 0.572 63 I N 0.990 121.754 120.570 0.323 0.000 4.530 63 I HA 0.071 5.268 4.170 1.712 0.000 0.318 63 I C 0.769 176.949 176.117 0.104 0.000 1.257 63 I CA 0.579 61.967 61.300 0.147 0.000 1.301 63 I CB -0.206 37.807 38.000 0.023 0.000 1.297 63 I HN 0.289 nan 8.210 nan 0.000 0.451 64 S N -1.470 114.290 115.700 0.101 0.000 2.874 64 S HA 0.355 5.852 4.470 1.712 0.000 0.318 64 S C 0.481 175.025 174.600 -0.093 0.000 1.109 64 S CA -0.093 58.063 58.200 -0.074 0.000 0.878 64 S CB 0.849 63.892 63.200 -0.261 0.000 1.307 64 S HN 0.051 nan 8.310 nan 0.000 0.592 65 D N -0.453 119.746 120.400 -0.336 0.000 2.363 65 D HA 0.007 5.674 4.640 1.712 0.000 0.220 65 D C 1.071 177.453 176.300 0.137 0.000 0.994 65 D CA 1.044 54.991 54.000 -0.089 0.000 0.890 65 D CB -0.037 40.819 40.800 0.093 0.000 0.906 65 D HN 0.678 nan 8.370 nan 0.000 0.530 66 H N -2.488 116.765 119.070 0.305 0.000 3.680 66 H HA 0.407 5.990 4.556 1.712 0.000 0.260 66 H C -0.060 175.385 175.328 0.195 0.000 1.183 66 H CA -0.296 55.902 56.048 0.251 0.000 1.159 66 H CB 0.502 30.413 29.762 0.248 0.000 1.567 66 H HN 0.082 nan 8.280 nan 0.000 0.648 67 E N 0.980 121.338 120.200 0.263 0.000 2.312 67 E HA 0.438 5.815 4.350 1.712 0.000 0.267 67 E C -1.473 175.308 176.600 0.302 0.000 0.894 67 E CA -1.126 55.392 56.400 0.198 0.000 0.773 67 E CB 3.141 32.907 29.700 0.109 0.000 1.241 67 E HN 0.201 nan 8.360 nan 0.000 0.432 68 Y N -0.677 119.652 120.300 0.049 0.000 2.609 68 Y HA 0.677 6.255 4.550 1.712 0.000 0.342 68 Y C -1.682 174.206 175.900 -0.021 0.000 1.058 68 Y CA -1.307 56.721 58.100 -0.118 0.000 1.055 68 Y CB 0.749 38.799 38.460 -0.683 0.000 1.292 68 Y HN 0.314 nan 8.280 nan 0.000 0.476 69 L N 2.534 123.894 121.223 0.229 0.000 2.331 69 L HA 0.600 5.967 4.340 1.712 0.000 0.275 69 L C -1.359 175.748 176.870 0.395 0.000 1.022 69 L CA -0.990 53.971 54.840 0.202 0.000 0.812 69 L CB 1.794 43.893 42.059 0.066 0.000 1.257 69 L HN 0.757 nan 8.230 nan 0.000 0.435 70 Y N 1.667 122.089 120.300 0.203 0.000 2.480 70 Y HA 0.355 5.931 4.550 1.709 0.000 0.329 70 Y C -1.072 174.878 175.900 0.084 0.000 1.127 70 Y CA -1.211 56.959 58.100 0.117 0.000 1.037 70 Y CB 1.538 40.062 38.460 0.108 0.000 1.320 70 Y HN 0.433 nan 8.280 nan 0.000 0.446 71 K N 4.787 124.836 120.400 -0.585 0.000 2.174 71 K HA 0.420 5.767 4.320 1.712 0.000 0.275 71 K C -0.674 175.527 176.600 -0.665 0.000 1.015 71 K CA -0.518 55.483 56.287 -0.476 0.000 0.933 71 K CB 1.160 33.491 32.500 -0.282 0.000 1.025 71 K HN 0.743 nan 8.250 nan 0.000 0.463 76 I N 1.017 121.530 120.570 -0.095 0.000 2.331 76 I HA 0.316 5.513 4.170 1.712 0.000 0.292 76 I C -0.758 175.377 176.117 0.031 0.000 0.998 76 I CA -0.690 60.568 61.300 -0.070 0.000 1.267 76 I CB 1.013 38.939 38.000 -0.123 0.000 1.386 76 I HN 0.332 nan 8.210 nan 0.000 0.476 77 L N 7.108 128.366 121.223 0.057 0.000 2.334 77 L HA 0.508 5.875 4.340 1.712 0.000 0.276 77 L C -0.340 176.561 176.870 0.052 0.000 1.014 77 L CA -0.669 54.194 54.840 0.039 0.000 0.815 77 L CB 2.035 44.108 42.059 0.022 0.000 1.268 77 L HN 0.299 nan 8.230 nan 0.000 0.428 78 V N -0.030 119.858 119.914 -0.044 0.000 2.407 78 V HA 0.528 5.675 4.120 1.712 0.000 0.278 78 V C -0.492 175.425 176.094 -0.295 0.000 1.037 78 V CA -0.613 61.640 62.300 -0.078 0.000 0.900 78 V CB 0.697 32.546 31.823 0.042 0.000 0.983 78 V HN 0.386 nan 8.190 nan 0.000 0.459 79 F N 2.616 122.318 119.950 -0.412 0.000 2.469 79 F HA 0.460 6.015 4.527 1.713 0.000 0.332 79 F C 0.444 175.978 175.800 -0.444 0.000 1.103 79 F CA -0.570 57.117 58.000 -0.523 0.000 0.979 79 F CB 1.773 40.188 39.000 -0.975 0.000 1.137 79 F HN 0.605 nan 8.300 nan 0.000 0.463 80 N N 1.766 120.438 118.700 -0.047 0.000 2.408 80 N HA 0.400 6.167 4.740 1.712 0.000 0.257 80 N C 0.656 176.167 175.510 0.002 0.000 1.064 80 N CA 0.050 53.113 53.050 0.023 0.000 0.952 80 N CB 1.336 39.891 38.487 0.113 0.000 1.093 80 N HN 0.740 nan 8.380 nan 0.000 0.490 81 A N 3.462 126.232 122.820 -0.084 0.000 1.972 81 A HA -0.135 5.212 4.320 1.712 0.000 0.219 81 A C 1.948 179.367 177.584 -0.275 0.000 1.169 81 A CA 1.094 53.004 52.037 -0.212 0.000 0.635 81 A CB -0.367 18.322 19.000 -0.518 0.000 0.810 81 A HN 0.766 nan 8.150 nan 0.000 0.446 82 E N -1.124 118.924 120.200 -0.254 0.000 2.051 82 E HA -0.171 5.206 4.350 1.712 0.000 0.192 82 E C 1.630 177.992 176.600 -0.395 0.000 0.991 82 E CA 1.518 57.755 56.400 -0.272 0.000 0.799 82 E CB -0.214 29.267 29.700 -0.366 0.000 0.748 82 E HN 0.835 nan 8.360 nan 0.000 0.449 83 Y N -1.449 118.864 120.300 0.022 0.000 2.500 83 Y HA 0.223 5.800 4.550 1.711 0.000 0.284 83 Y C 1.824 177.744 175.900 0.033 0.000 1.118 83 Y CA 0.635 58.750 58.100 0.025 0.000 1.241 83 Y CB 0.517 38.988 38.460 0.019 0.000 1.171 83 Y HN 0.177 nan 8.280 nan 0.000 0.540 84 G N 0.633 109.543 108.800 0.183 0.000 2.175 84 G HA2 -0.291 4.696 3.960 1.712 0.000 0.244 84 G HA3 -0.291 4.696 3.960 1.712 0.000 0.244 84 G C -0.196 174.829 174.900 0.208 0.000 0.982 84 G CA 0.015 45.236 45.100 0.202 0.000 0.641 84 G HN 0.433 nan 8.290 nan 0.000 0.527 85 N N 0.687 119.466 118.700 0.133 0.000 2.483 85 N HA 0.393 6.160 4.740 1.712 0.000 0.264 85 N C -0.185 175.248 175.510 -0.127 0.000 1.197 85 N CA 0.821 53.881 53.050 0.018 0.000 0.927 85 N CB 1.566 40.050 38.487 -0.005 0.000 1.065 85 N HN 0.310 nan 8.380 nan 0.000 0.461 86 S N 0.879 116.425 115.700 -0.257 0.000 2.509 86 S HA 0.520 6.017 4.470 1.712 0.000 0.297 86 S C -0.584 173.813 174.600 -0.338 0.000 1.118 86 S CA -0.634 57.221 58.200 -0.575 0.000 1.074 86 S CB 0.863 63.573 63.200 -0.817 0.000 1.038 86 S HN 0.760 nan 8.310 nan 0.000 0.498 87 S N 2.337 117.838 115.700 -0.331 0.000 2.709 87 S HA 0.739 6.235 4.470 1.712 0.000 0.302 87 S C -1.424 173.090 174.600 -0.144 0.000 1.127 87 S CA -0.605 57.489 58.200 -0.177 0.000 0.905 87 S CB 1.312 64.450 63.200 -0.104 0.000 1.151 87 S HN 0.604 nan 8.310 nan 0.000 0.510 88 V N 3.766 123.631 119.914 -0.082 0.000 2.311 88 V HA 0.400 5.546 4.120 1.712 0.000 0.275 88 V C 0.380 176.475 176.094 0.001 0.000 1.022 88 V CA -0.353 61.920 62.300 -0.044 0.000 0.830 88 V CB 0.419 32.205 31.823 -0.061 0.000 1.012 88 V HN 0.949 nan 8.190 nan 0.000 0.452 89 F N 4.593 124.490 119.950 -0.088 0.000 2.128 89 F HA 0.160 5.714 4.527 1.712 0.000 0.295 89 F C 0.655 176.422 175.800 -0.056 0.000 1.100 89 F CA 1.479 59.442 58.000 -0.062 0.000 1.260 89 F CB 0.500 39.474 39.000 -0.043 0.000 1.009 89 F HN 0.290 nan 8.300 nan 0.000 0.476 90 L N 0.680 121.969 121.223 0.110 0.000 2.482 90 L HA 0.269 5.636 4.340 1.712 0.000 0.269 90 L C -0.922 175.923 176.870 -0.041 0.000 0.967 90 L CA -0.483 54.362 54.840 0.009 0.000 0.851 90 L CB 1.761 43.860 42.059 0.067 0.000 1.242 90 L HN -0.169 nan 8.230 nan 0.000 0.404 91 E N 0.999 121.152 120.200 -0.078 0.000 2.360 91 E HA 0.056 5.433 4.350 1.712 0.000 0.269 91 E C 0.941 177.482 176.600 -0.098 0.000 1.022 91 E CA 0.160 56.509 56.400 -0.086 0.000 0.887 91 E CB 0.523 30.167 29.700 -0.094 0.000 0.990 91 E HN 0.591 nan 8.360 nan 0.000 0.426 92 N N 0.729 119.382 118.700 -0.078 0.000 2.430 92 N HA -0.225 5.542 4.740 1.712 0.000 0.186 92 N C 0.932 176.394 175.510 -0.081 0.000 1.032 92 N CA 1.032 54.043 53.050 -0.064 0.000 0.893 92 N CB -0.043 38.413 38.487 -0.053 0.000 0.957 92 N HN 0.310 nan 8.380 nan 0.000 0.442 93 S N -1.538 114.100 115.700 -0.103 0.000 2.727 93 S HA -0.032 5.465 4.470 1.712 0.000 0.226 93 S C 1.256 175.747 174.600 -0.181 0.000 0.963 93 S CA 0.607 58.739 58.200 -0.112 0.000 0.950 93 S CB -0.893 62.251 63.200 -0.094 0.000 0.779 93 S HN 0.564 nan 8.310 nan 0.000 0.532 94 T N -3.066 111.311 114.554 -0.296 0.000 2.990 94 T HA 0.364 5.741 4.350 1.712 0.000 0.250 94 T C 0.251 174.456 174.700 -0.826 0.000 1.041 94 T CA -0.238 61.514 62.100 -0.579 0.000 1.010 94 T CB -0.308 68.085 68.868 -0.792 0.000 1.003 94 T HN 0.339 nan 8.240 nan 0.000 0.499 95 F N 2.814 122.670 119.950 -0.156 0.000 2.879 95 F HA 0.368 5.922 4.527 1.711 0.000 0.354 95 F C 0.741 176.531 175.800 -0.018 0.000 1.291 95 F CA -1.657 56.268 58.000 -0.125 0.000 1.238 95 F CB 0.584 39.406 39.000 -0.295 0.000 1.005 95 F HN 0.157 nan 8.300 nan 0.000 0.508 96 D N -0.548 119.907 120.400 0.091 0.000 2.431 96 D HA -0.088 5.579 4.640 1.712 0.000 0.227 96 D C 1.495 177.832 176.300 0.062 0.000 1.030 96 D CA 0.465 54.508 54.000 0.071 0.000 0.897 96 D CB -0.380 40.427 40.800 0.012 0.000 1.058 96 D HN 0.427 nan 8.370 nan 0.000 0.500 97 E N 0.602 120.827 120.200 0.041 0.000 2.478 97 E HA -0.129 5.248 4.350 1.712 0.000 0.198 97 E C 1.642 178.288 176.600 0.077 0.000 1.046 97 E CA -0.018 56.396 56.400 0.024 0.000 0.870 97 E CB -0.665 29.030 29.700 -0.008 0.000 0.818 97 E HN 0.315 nan 8.360 nan 0.000 0.527 98 F N 2.410 122.367 119.950 0.012 0.000 2.075 98 F HA 0.006 5.560 4.527 1.711 0.000 0.297 98 F C 1.612 177.373 175.800 -0.064 0.000 1.113 98 F CA 2.448 60.471 58.000 0.039 0.000 1.218 98 F CB -0.063 39.013 39.000 0.126 0.000 0.984 98 F HN 0.248 nan 8.300 nan 0.000 0.472 99 G N 0.051 108.811 108.800 -0.066 0.000 2.142 99 G HA2 -0.209 4.778 3.960 1.712 0.000 0.225 99 G HA3 -0.209 4.778 3.960 1.712 0.000 0.225 99 G C -0.454 174.135 174.900 -0.519 0.000 1.015 99 G CA 0.106 45.035 45.100 -0.285 0.000 0.716 99 G HN 0.599 nan 8.290 nan 0.000 0.508 100 H N -0.830 118.244 119.070 0.007 0.000 3.029 100 H HA 0.456 6.039 4.556 1.711 0.000 0.358 100 H C -0.474 174.968 175.328 0.189 0.000 1.129 100 H CA -0.105 55.983 56.048 0.068 0.000 1.230 100 H CB 1.621 31.327 29.762 -0.092 0.000 1.827 100 H HN 0.218 nan 8.280 nan 0.000 0.530 101 S N 3.509 119.367 115.700 0.262 0.000 2.481 101 S HA 0.134 5.631 4.470 1.712 0.000 0.282 101 S C 0.443 175.136 174.600 0.154 0.000 1.243 101 S CA -0.728 57.571 58.200 0.164 0.000 1.078 101 S CB -0.519 62.751 63.200 0.117 0.000 0.916 101 S HN 0.322 nan 8.310 nan 0.000 0.495 102 I N 5.744 126.348 120.570 0.056 0.000 2.436 102 I HA 0.085 5.282 4.170 1.712 0.000 0.289 102 I C 1.387 177.495 176.117 -0.014 0.000 1.083 102 I CA 0.053 61.338 61.300 -0.024 0.000 1.372 102 I CB 0.250 38.147 38.000 -0.171 0.000 1.408 102 I HN 0.762 nan 8.210 nan 0.000 0.516 103 N N 4.800 123.489 118.700 -0.018 0.000 2.251 103 N HA -0.067 5.700 4.740 1.712 0.000 0.181 103 N C 0.164 175.620 175.510 -0.089 0.000 1.019 103 N CA 1.162 54.155 53.050 -0.095 0.000 0.862 103 N CB 0.467 38.846 38.487 -0.180 0.000 0.992 103 N HN 0.690 nan 8.380 nan 0.000 0.429 104 D N -2.658 117.721 120.400 -0.034 0.000 2.643 104 D HA 0.238 5.905 4.640 1.712 0.000 0.283 104 D C -1.668 174.699 176.300 0.113 0.000 1.242 104 D CA -0.561 53.446 54.000 0.012 0.000 0.863 104 D CB 0.948 41.711 40.800 -0.062 0.000 1.382 104 D HN 0.116 nan 8.370 nan 0.000 0.444 105 Y N -1.423 118.891 120.300 0.023 0.000 2.581 105 Y HA 0.775 6.351 4.550 1.711 0.000 0.345 105 Y C -1.141 174.840 175.900 0.135 0.000 1.036 105 Y CA -1.033 57.100 58.100 0.055 0.000 1.042 105 Y CB 1.690 40.157 38.460 0.010 0.000 1.289 105 Y HN 0.143 nan 8.280 nan 0.000 0.471 106 S N 2.651 118.529 115.700 0.296 0.000 2.619 106 S HA 0.663 6.160 4.470 1.712 0.000 0.280 106 S C -1.533 173.361 174.600 0.489 0.000 1.150 106 S CA -0.699 57.701 58.200 0.333 0.000 0.978 106 S CB 0.475 63.917 63.200 0.402 0.000 1.041 106 S HN 0.597 nan 8.310 nan 0.000 0.485 107 I N 4.605 125.331 120.570 0.260 0.000 2.365 107 I HA 0.276 5.473 4.170 1.712 0.000 0.291 107 I C 1.037 176.919 176.117 -0.391 0.000 1.004 107 I CA -0.430 60.908 61.300 0.063 0.000 1.311 107 I CB 1.110 39.132 38.000 0.036 0.000 1.401 107 I HN 0.808 nan 8.210 nan 0.000 0.491 108 S N 7.973 123.139 115.700 -0.890 0.000 2.558 108 S HA 0.132 5.629 4.470 1.712 0.000 0.288 108 S C -1.413 172.867 174.600 -0.533 0.000 1.318 108 S CA -0.792 56.557 58.200 -1.418 0.000 1.056 108 S CB 0.395 62.770 63.200 -1.376 0.000 0.853 108 S HN 0.546 nan 8.310 nan 0.000 0.505 109 P HA -0.092 nan 4.420 nan 0.000 0.229 109 P C 0.377 177.628 177.300 -0.082 0.000 1.150 109 P CA 1.200 64.216 63.100 -0.141 0.000 0.765 109 P CB -0.197 31.452 31.700 -0.085 0.000 0.783 110 D N -2.210 118.136 120.400 -0.090 0.000 2.431 110 D HA 0.131 5.798 4.640 1.712 0.000 0.213 110 D C 1.441 177.728 176.300 -0.022 0.000 1.130 110 D CA 0.105 54.096 54.000 -0.016 0.000 0.834 110 D CB -0.689 40.145 40.800 0.056 0.000 0.985 110 D HN 0.150 nan 8.370 nan 0.000 0.504 111 G N 0.818 109.592 108.800 -0.044 0.000 2.189 111 G HA2 -0.447 4.540 3.960 1.712 0.000 0.267 111 G HA3 -0.447 4.540 3.960 1.712 0.000 0.267 111 G C 1.092 175.957 174.900 -0.059 0.000 0.975 111 G CA 0.765 45.892 45.100 0.044 0.000 0.644 111 G HN 0.459 nan 8.290 nan 0.000 0.537 112 Q N -1.359 118.314 119.800 -0.212 0.000 2.172 112 Q HA 0.246 5.613 4.340 1.712 0.000 0.200 112 Q C 0.398 175.896 176.000 -0.836 0.000 0.964 112 Q CA 0.909 56.371 55.803 -0.568 0.000 0.855 112 Q CB 0.144 28.434 28.738 -0.746 0.000 0.918 112 Q HN 0.601 nan 8.270 nan 0.000 0.444 113 F N -0.915 118.949 119.950 -0.142 0.000 2.603 113 F HA 0.519 6.072 4.527 1.711 0.000 0.317 113 F C -0.523 175.327 175.800 0.083 0.000 1.066 113 F CA -1.176 56.816 58.000 -0.014 0.000 0.941 113 F CB 1.664 40.712 39.000 0.080 0.000 1.291 113 F HN -0.197 nan 8.300 nan 0.000 0.472 114 I N 2.804 123.674 120.570 0.501 0.000 2.498 114 I HA 0.493 5.690 4.170 1.712 0.000 0.290 114 I C -1.832 174.605 176.117 0.534 0.000 1.032 114 I CA -1.067 60.533 61.300 0.500 0.000 1.073 114 I CB 1.597 39.857 38.000 0.435 0.000 1.251 114 I HN 0.546 nan 8.210 nan 0.000 0.426 115 L N 8.342 129.911 121.223 0.576 0.000 2.276 115 L HA 0.526 5.892 4.340 1.712 0.000 0.286 115 L C -1.319 175.696 176.870 0.242 0.000 1.061 115 L CA 0.023 55.083 54.840 0.367 0.000 0.807 115 L CB 1.086 43.294 42.059 0.249 0.000 1.177 115 L HN 0.514 nan 8.230 nan 0.000 0.429 116 L N 4.796 126.090 121.223 0.118 0.000 2.309 116 L HA 0.542 5.909 4.340 1.712 0.000 0.282 116 L C -0.172 176.748 176.870 0.084 0.000 1.036 116 L CA -0.361 54.447 54.840 -0.052 0.000 0.806 116 L CB 1.564 43.325 42.059 -0.497 0.000 1.220 116 L HN 0.601 nan 8.230 nan 0.000 0.429 117 E N 3.070 123.280 120.200 0.017 0.000 2.145 117 E HA 0.407 5.784 4.350 1.712 0.000 0.262 117 E C -1.656 174.924 176.600 -0.034 0.000 0.883 117 E CA -0.584 55.723 56.400 -0.155 0.000 0.748 117 E CB 0.976 30.659 29.700 -0.029 0.000 1.140 117 E HN 0.446 nan 8.360 nan 0.000 0.417 118 Y N 1.705 121.848 120.300 -0.262 0.000 2.665 118 Y HA 0.495 6.072 4.550 1.711 0.000 0.336 118 Y C 0.118 175.949 175.900 -0.116 0.000 1.085 118 Y CA -1.765 56.268 58.100 -0.111 0.000 1.096 118 Y CB 0.546 39.017 38.460 0.019 0.000 1.301 118 Y HN 0.446 nan 8.280 nan 0.000 0.493 119 N N -0.186 118.530 118.700 0.027 0.000 2.721 119 N HA -0.307 5.460 4.740 1.712 0.000 0.249 119 N C -0.947 174.535 175.510 -0.046 0.000 1.072 119 N CA 1.039 54.062 53.050 -0.044 0.000 0.710 119 N CB -1.488 36.894 38.487 -0.174 0.000 0.993 119 N HN 0.875 nan 8.380 nan 0.000 0.547 120 Y N 0.192 120.423 120.300 -0.116 0.000 2.729 120 Y HA 0.231 5.807 4.550 1.711 0.000 0.331 120 Y C -0.050 175.814 175.900 -0.060 0.000 1.208 120 Y CA 0.011 58.046 58.100 -0.109 0.000 1.521 120 Y CB 0.598 38.938 38.460 -0.201 0.000 1.233 120 Y HN -0.005 nan 8.280 nan 0.000 0.539 121 V N 8.392 128.022 119.914 -0.474 0.000 2.325 121 V HA 0.166 5.312 4.120 1.712 0.000 0.280 121 V C -0.253 175.475 176.094 -0.609 0.000 1.016 121 V CA -1.280 60.743 62.300 -0.463 0.000 0.818 121 V CB 1.038 32.730 31.823 -0.219 0.000 1.019 121 V HN 0.750 nan 8.190 nan 0.000 0.434 122 K N 4.285 124.212 120.400 -0.787 0.000 2.484 122 K HA 0.121 5.468 4.320 1.712 0.000 0.280 122 K C 0.447 176.860 176.600 -0.312 0.000 1.013 122 K CA 0.511 56.509 56.287 -0.482 0.000 1.029 122 K CB 0.930 33.299 32.500 -0.218 0.000 0.902 122 K HN 0.776 nan 8.250 nan 0.000 0.481 123 Q N 3.540 123.140 119.800 -0.333 0.000 3.081 123 Q HA 0.201 5.568 4.340 1.712 0.000 0.219 123 Q C -0.060 175.767 176.000 -0.289 0.000 1.169 123 Q CA -0.512 54.925 55.803 -0.609 0.000 0.309 123 Q CB 0.029 28.185 28.738 -0.969 0.000 5.821 123 Q HN 0.743 nan 8.270 nan 0.000 0.320 124 W N 0.572 121.871 121.300 -0.002 0.000 1.678 124 W HA 0.249 5.935 4.660 1.709 0.000 0.534 124 W C 1.911 178.411 176.519 -0.031 0.000 2.110 124 W CA -0.658 56.709 57.345 0.036 0.000 2.377 124 W CB -0.108 29.332 29.460 -0.032 0.000 2.106 124 W HN 0.433 nan 8.180 nan 0.000 0.814 125 R N -0.624 119.966 120.500 0.150 0.000 2.091 125 R HA -0.179 5.188 4.340 1.712 0.000 0.238 125 R C 1.787 177.923 176.300 -0.273 0.000 1.136 125 R CA 1.911 57.920 56.100 -0.152 0.000 0.959 125 R CB -0.429 29.632 30.300 -0.399 0.000 0.856 125 R HN 0.514 nan 8.270 nan 0.000 0.437 126 H N -1.462 117.679 119.070 0.119 0.000 2.788 126 H HA 0.151 5.734 4.556 1.712 0.000 0.262 126 H C 0.534 175.956 175.328 0.157 0.000 0.968 126 H CA 0.450 56.592 56.048 0.156 0.000 1.218 126 H CB 0.349 30.182 29.762 0.119 0.000 1.443 126 H HN 0.140 nan 8.280 nan 0.000 0.478 127 S N 1.453 117.155 115.700 0.003 0.000 2.565 127 S HA 0.388 5.885 4.470 1.712 0.000 0.276 127 S C -0.385 174.032 174.600 -0.305 0.000 1.326 127 S CA -0.566 57.288 58.200 -0.577 0.000 1.045 127 S CB 0.573 62.988 63.200 -1.308 0.000 0.918 127 S HN 0.413 nan 8.310 nan 0.000 0.505 128 Y N -2.098 117.995 120.300 -0.345 0.000 2.604 128 Y HA 0.641 6.219 4.550 1.713 0.000 0.331 128 Y C -0.790 175.072 175.900 -0.064 0.000 1.158 128 Y CA -1.275 56.677 58.100 -0.245 0.000 1.056 128 Y CB 0.315 38.644 38.460 -0.218 0.000 1.330 128 Y HN 0.608 nan 8.280 nan 0.000 0.457 129 T N 1.734 116.306 114.554 0.031 0.000 2.922 129 T HA 0.880 6.257 4.350 1.712 0.000 0.285 129 T C -0.299 174.491 174.700 0.150 0.000 1.005 129 T CA 0.157 62.294 62.100 0.062 0.000 1.061 129 T CB 1.287 70.133 68.868 -0.037 0.000 1.007 129 T HN 1.248 nan 8.240 nan 0.000 0.502 130 A N 1.304 124.191 122.820 0.111 0.000 2.597 130 A HA 0.669 6.016 4.320 1.712 0.000 0.292 130 A C -0.590 176.806 177.584 -0.314 0.000 1.057 130 A CA -0.925 51.062 52.037 -0.084 0.000 0.674 130 A CB 1.041 20.037 19.000 -0.007 0.000 1.278 130 A HN 0.644 nan 8.150 nan 0.000 0.416 131 S N -0.165 115.127 115.700 -0.680 0.000 2.578 131 S HA 0.783 6.280 4.470 1.712 0.000 0.283 131 S C -1.327 172.643 174.600 -1.051 0.000 1.195 131 S CA -0.027 57.663 58.200 -0.850 0.000 1.050 131 S CB 0.507 62.901 63.200 -1.344 0.000 1.012 131 S HN 0.454 nan 8.310 nan 0.000 0.511 132 Y N 0.206 120.321 120.300 -0.309 0.000 2.492 132 Y HA 0.494 6.070 4.550 1.711 0.000 0.346 132 Y C -0.153 175.801 175.900 0.089 0.000 0.997 132 Y CA -0.953 57.101 58.100 -0.076 0.000 1.025 132 Y CB 1.714 40.075 38.460 -0.166 0.000 1.263 132 Y HN 0.499 nan 8.280 nan 0.000 0.454 133 D N 2.125 122.739 120.400 0.357 0.000 2.490 133 D HA 0.596 6.263 4.640 1.712 0.000 0.232 133 D C -1.006 175.416 176.300 0.202 0.000 1.053 133 D CA -0.374 53.794 54.000 0.281 0.000 0.914 133 D CB 2.770 43.819 40.800 0.413 0.000 1.431 133 D HN 0.402 nan 8.370 nan 0.000 0.483 134 I N 1.487 122.176 120.570 0.197 0.000 2.436 134 I HA 0.263 5.460 4.170 1.712 0.000 0.289 134 I C -1.112 175.222 176.117 0.362 0.000 1.010 134 I CA -0.969 60.478 61.300 0.246 0.000 1.098 134 I CB 1.657 39.733 38.000 0.127 0.000 1.266 134 I HN 0.207 nan 8.210 nan 0.000 0.434 135 Y N 5.790 126.270 120.300 0.299 0.000 2.341 135 Y HA 0.353 5.931 4.550 1.712 0.000 0.338 135 Y C -0.148 175.961 175.900 0.348 0.000 0.965 135 Y CA -0.672 57.622 58.100 0.324 0.000 1.108 135 Y CB 1.102 39.806 38.460 0.407 0.000 1.180 135 Y HN 0.524 nan 8.280 nan 0.000 0.458 136 D N 4.983 125.284 120.400 -0.165 0.000 2.382 136 D HA 0.092 5.759 4.640 1.712 0.000 0.245 136 D C 0.382 176.356 176.300 -0.543 0.000 1.120 136 D CA 0.427 54.286 54.000 -0.235 0.000 0.890 136 D CB 1.270 41.972 40.800 -0.162 0.000 1.201 136 D HN 0.884 nan 8.370 nan 0.000 0.433 137 L N 2.913 123.883 121.223 -0.422 0.000 2.575 137 L HA 0.065 5.432 4.340 1.712 0.000 0.228 137 L C 1.780 178.469 176.870 -0.302 0.000 1.075 137 L CA -0.135 54.523 54.840 -0.304 0.000 0.867 137 L CB 0.006 41.934 42.059 -0.218 0.000 1.097 137 L HN 0.314 nan 8.230 nan 0.000 0.485 138 N N 0.571 119.069 118.700 -0.337 0.000 2.305 138 N HA -0.057 5.710 4.740 1.712 0.000 0.179 138 N C 1.520 176.904 175.510 -0.209 0.000 1.019 138 N CA 0.946 53.844 53.050 -0.253 0.000 0.869 138 N CB 0.112 38.448 38.487 -0.252 0.000 1.000 138 N HN 0.256 nan 8.380 nan 0.000 0.431 139 K N 0.473 120.737 120.400 -0.226 0.000 2.305 139 K HA 0.183 5.530 4.320 1.712 0.000 0.199 139 K C 0.062 176.542 176.600 -0.200 0.000 1.047 139 K CA -0.018 56.166 56.287 -0.171 0.000 0.976 139 K CB 0.465 32.889 32.500 -0.127 0.000 0.765 139 K HN -0.030 nan 8.250 nan 0.000 0.474 140 R N 0.956 121.260 120.500 -0.327 0.000 3.878 140 R HA -0.142 5.225 4.340 1.712 0.000 0.330 140 R C -0.658 175.431 176.300 -0.352 0.000 1.186 140 R CA 1.021 56.907 56.100 -0.355 0.000 0.885 140 R CB -2.281 27.949 30.300 -0.117 0.000 1.377 140 R HN 0.611 nan 8.270 nan 0.000 0.523 141 Q N -0.414 119.130 119.800 -0.426 0.000 2.359 141 Q HA 0.446 5.812 4.340 1.712 0.000 0.274 141 Q C -0.309 175.691 176.000 -0.001 0.000 1.074 141 Q CA -1.198 54.551 55.803 -0.090 0.000 0.810 141 Q CB 1.642 30.380 28.738 -0.001 0.000 1.342 141 Q HN -0.115 nan 8.270 nan 0.000 0.427 142 L N 2.849 124.287 121.223 0.359 0.000 2.628 142 L HA 0.088 5.455 4.340 1.712 0.000 0.274 142 L C 0.265 177.261 176.870 0.209 0.000 1.209 142 L CA 0.684 55.767 54.840 0.404 0.000 0.930 142 L CB -0.439 41.883 42.059 0.438 0.000 1.183 142 L HN 0.728 nan 8.230 nan 0.000 0.492 143 I N 4.035 124.715 120.570 0.184 0.000 2.581 143 I HA -0.087 5.110 4.170 1.712 0.000 0.285 143 I C 1.550 177.718 176.117 0.086 0.000 1.129 143 I CA 0.139 61.503 61.300 0.107 0.000 1.397 143 I CB 0.638 38.685 38.000 0.077 0.000 1.399 143 I HN 0.744 nan 8.210 nan 0.000 0.537 144 T N 1.744 116.334 114.554 0.059 0.000 3.057 144 T HA 0.060 5.437 4.350 1.712 0.000 0.254 144 T C 0.616 175.322 174.700 0.010 0.000 1.094 144 T CA -0.222 61.904 62.100 0.042 0.000 1.088 144 T CB 0.036 68.927 68.868 0.038 0.000 0.934 144 T HN 0.611 nan 8.240 nan 0.000 0.497 145 E N 1.762 121.961 120.200 -0.001 0.000 2.248 145 E HA 0.207 5.584 4.350 1.712 0.000 0.272 145 E C -0.694 175.877 176.600 -0.048 0.000 1.008 145 E CA -0.618 55.768 56.400 -0.023 0.000 0.856 145 E CB 0.735 30.424 29.700 -0.018 0.000 1.120 145 E HN 0.232 nan 8.360 nan 0.000 0.397 146 E N 0.890 121.049 120.200 -0.070 0.000 2.222 146 E HA -0.230 5.147 4.350 1.712 0.000 0.189 146 E C -0.673 175.845 176.600 -0.137 0.000 1.415 146 E CA 0.651 56.988 56.400 -0.105 0.000 0.689 146 E CB -1.394 28.247 29.700 -0.099 0.000 1.107 146 E HN 0.504 nan 8.360 nan 0.000 0.350 147 R N 0.155 120.571 120.500 -0.139 0.000 2.490 147 R HA 0.411 5.778 4.340 1.712 0.000 0.278 147 R C 1.122 177.257 176.300 -0.275 0.000 1.069 147 R CA -0.626 55.382 56.100 -0.153 0.000 1.080 147 R CB 0.688 30.937 30.300 -0.086 0.000 1.030 147 R HN 0.196 nan 8.270 nan 0.000 0.491 148 I N 4.459 124.827 120.570 -0.336 0.000 2.683 148 I HA 0.001 5.198 4.170 1.712 0.000 0.286 148 I C -1.741 174.123 176.117 -0.421 0.000 1.175 148 I CA -1.415 59.554 61.300 -0.552 0.000 1.429 148 I CB 0.273 37.937 38.000 -0.559 0.000 1.371 148 I HN 0.298 nan 8.210 nan 0.000 0.569 149 P HA 0.091 nan 4.420 nan 0.000 0.272 149 P C -0.708 176.440 177.300 -0.253 0.000 1.223 149 P CA -0.433 62.339 63.100 -0.547 0.000 0.784 149 P CB 0.361 31.302 31.700 -1.264 0.000 0.923 150 N N 1.887 120.507 118.700 -0.134 0.000 2.395 150 N HA -0.035 5.732 4.740 1.712 0.000 0.246 150 N C 0.335 175.955 175.510 0.182 0.000 1.246 150 N CA 0.617 53.656 53.050 -0.019 0.000 0.879 150 N CB -0.726 37.755 38.487 -0.010 0.000 1.098 150 N HN 0.421 nan 8.380 nan 0.000 0.444 151 N N -1.574 117.201 118.700 0.126 0.000 2.882 151 N HA -0.154 5.612 4.740 1.712 0.000 0.249 151 N C -1.111 174.572 175.510 0.288 0.000 1.079 151 N CA 0.806 53.962 53.050 0.177 0.000 0.800 151 N CB -1.405 37.184 38.487 0.170 0.000 1.124 151 N HN 0.486 nan 8.380 nan 0.000 0.557 152 T N 0.473 115.220 114.554 0.321 0.000 2.902 152 T HA 0.019 5.396 4.350 1.712 0.000 0.301 152 T C 1.476 176.346 174.700 0.282 0.000 1.012 152 T CA 0.232 62.541 62.100 0.349 0.000 1.151 152 T CB 1.008 70.031 68.868 0.260 0.000 0.946 152 T HN 0.193 nan 8.240 nan 0.000 0.542 153 Q N 1.649 121.600 119.800 0.253 0.000 2.302 153 Q HA 0.155 5.522 4.340 1.712 0.000 0.202 153 Q C 0.179 176.373 176.000 0.324 0.000 0.936 153 Q CA 0.434 56.416 55.803 0.298 0.000 0.886 153 Q CB 0.709 29.587 28.738 0.233 0.000 0.986 153 Q HN 0.751 nan 8.270 nan 0.000 0.487 154 W N 0.328 121.599 121.300 -0.048 0.000 3.818 154 W HA 0.427 6.113 4.660 1.710 0.000 0.283 154 W C -2.127 174.291 176.519 -0.169 0.000 1.265 154 W CA -0.881 56.377 57.345 -0.146 0.000 1.226 154 W CB 1.161 30.476 29.460 -0.242 0.000 1.281 154 W HN -0.255 nan 8.180 nan 0.000 0.539 155 V N 1.623 120.806 119.914 -1.219 0.000 2.925 155 V HA 0.908 6.055 4.120 1.712 0.000 0.311 155 V C -1.056 174.315 176.094 -1.206 0.000 1.104 155 V CA -0.653 61.036 62.300 -1.018 0.000 0.954 155 V CB 1.402 32.574 31.823 -1.084 0.000 1.022 155 V HN 0.569 nan 8.190 nan 0.000 0.427 156 T N 3.115 117.303 114.554 -0.611 0.000 3.105 156 T HA 0.530 5.907 4.350 1.712 0.000 0.321 156 T C -1.302 173.401 174.700 0.005 0.000 1.135 156 T CA -0.298 61.655 62.100 -0.244 0.000 1.053 156 T CB 0.860 69.832 68.868 0.173 0.000 1.133 156 T HN 0.761 nan 8.240 nan 0.000 0.463 157 W N 3.198 124.534 121.300 0.060 0.000 2.126 157 W HA 0.440 6.127 4.660 1.710 0.000 0.346 157 W C 1.261 177.615 176.519 -0.275 0.000 1.279 157 W CA -0.564 56.764 57.345 -0.029 0.000 1.259 157 W CB 0.489 29.926 29.460 -0.038 0.000 1.133 157 W HN 0.764 nan 8.180 nan 0.000 0.592 158 S N 1.168 116.553 115.700 -0.524 0.000 2.576 158 S HA 0.077 5.574 4.470 1.712 0.000 0.272 158 S C -1.829 172.492 174.600 -0.464 0.000 1.352 158 S CA -0.893 56.489 58.200 -1.363 0.000 1.021 158 S CB 0.701 63.136 63.200 -1.275 0.000 0.887 158 S HN 0.276 nan 8.310 nan 0.000 0.542 159 P HA 0.037 nan 4.420 nan 0.000 0.219 159 P C 0.404 177.656 177.300 -0.080 0.000 1.150 159 P CA 0.776 63.832 63.100 -0.073 0.000 0.814 159 P CB -0.183 31.518 31.700 0.002 0.000 0.787 160 V N -6.599 113.229 119.914 -0.144 0.000 3.074 160 V HA 0.895 6.042 4.120 1.712 0.000 0.314 160 V C 0.619 176.626 176.094 -0.145 0.000 1.117 160 V CA -0.303 61.934 62.300 -0.105 0.000 1.014 160 V CB 0.908 32.690 31.823 -0.069 0.000 1.057 160 V HN 0.421 nan 8.190 nan 0.000 0.438 161 G N 1.700 110.443 108.800 -0.095 0.000 2.531 161 G HA2 -0.175 4.812 3.960 1.712 0.000 0.274 161 G HA3 -0.175 4.812 3.960 1.712 0.000 0.274 161 G C 0.256 175.137 174.900 -0.031 0.000 1.159 161 G CA 0.944 45.976 45.100 -0.113 0.000 0.969 161 G HN 2.610 nan 8.290 nan 0.000 0.554 162 H N -0.725 118.358 119.070 0.022 0.000 3.411 162 H HA 0.344 5.927 4.556 1.711 0.000 0.232 162 H C 0.086 175.551 175.328 0.229 0.000 1.322 162 H CA -0.117 56.021 56.048 0.150 0.000 1.077 162 H CB -0.547 29.354 29.762 0.231 0.000 2.741 162 H HN 0.546 nan 8.280 nan 0.000 0.596 163 K N 1.392 121.790 120.400 -0.005 0.000 2.258 163 K HA 0.330 5.677 4.320 1.712 0.000 0.264 163 K C -0.724 175.960 176.600 0.141 0.000 1.007 163 K CA -0.694 55.600 56.287 0.012 0.000 0.941 163 K CB 1.461 33.843 32.500 -0.197 0.000 0.966 163 K HN 0.030 nan 8.250 nan 0.000 0.480 164 L N 1.681 123.043 121.223 0.231 0.000 2.441 164 L HA 0.380 5.747 4.340 1.712 0.000 0.270 164 L C -1.324 175.743 176.870 0.328 0.000 0.973 164 L CA -0.230 54.703 54.840 0.153 0.000 0.842 164 L CB 1.474 43.457 42.059 -0.127 0.000 1.239 164 L HN 0.741 nan 8.230 nan 0.000 0.406 165 A N 4.916 127.985 122.820 0.415 0.000 2.304 165 A HA 0.781 6.128 4.320 1.712 0.000 0.323 165 A C -1.470 176.165 177.584 0.086 0.000 1.195 165 A CA -0.331 51.818 52.037 0.187 0.000 0.826 165 A CB 0.541 19.521 19.000 -0.033 0.000 1.184 165 A HN 0.767 nan 8.150 nan 0.000 0.496 166 Y N -0.374 119.880 120.300 -0.076 0.000 2.571 166 Y HA 0.707 6.283 4.550 1.711 0.000 0.341 166 Y C -1.249 174.662 175.900 0.018 0.000 1.076 166 Y CA -1.524 56.508 58.100 -0.112 0.000 1.029 166 Y CB 1.210 39.540 38.460 -0.216 0.000 1.308 166 Y HN 0.356 nan 8.280 nan 0.000 0.461 167 V N 2.464 122.474 119.914 0.160 0.000 2.409 167 V HA 0.316 5.463 4.120 1.712 0.000 0.291 167 V C -1.385 174.879 176.094 0.283 0.000 1.020 167 V CA -0.649 61.721 62.300 0.117 0.000 0.848 167 V CB 1.023 32.856 31.823 0.017 0.000 0.990 167 V HN 0.875 nan 8.190 nan 0.000 0.430 168 W N 5.289 126.647 121.300 0.098 0.000 2.781 168 W HA 0.494 6.181 4.660 1.711 0.000 0.333 168 W C 0.325 176.878 176.519 0.057 0.000 1.047 168 W CA -0.670 56.720 57.345 0.076 0.000 1.236 168 W CB 1.226 30.701 29.460 0.025 0.000 1.394 168 W HN 0.795 nan 8.180 nan 0.000 0.466 169 N N 5.684 123.982 118.700 -0.670 0.000 2.725 169 N HA -0.354 5.413 4.740 1.712 0.000 0.251 169 N C 0.118 175.437 175.510 -0.319 0.000 1.031 169 N CA 1.011 53.668 53.050 -0.655 0.000 0.720 169 N CB -1.179 36.651 38.487 -1.095 0.000 0.930 169 N HN 0.862 nan 8.380 nan 0.000 0.543 170 N N -2.133 116.447 118.700 -0.200 0.000 2.828 170 N HA -0.184 5.583 4.740 1.712 0.000 0.248 170 N C -1.217 174.201 175.510 -0.153 0.000 1.044 170 N CA 1.043 53.997 53.050 -0.159 0.000 0.851 170 N CB -0.296 38.055 38.487 -0.227 0.000 1.136 170 N HN 0.454 nan 8.380 nan 0.000 0.572 171 D N 0.427 120.749 120.400 -0.130 0.000 2.269 171 D HA 0.498 6.165 4.640 1.712 0.000 0.244 171 D C 0.040 176.198 176.300 -0.237 0.000 0.992 171 D CA -0.330 53.536 54.000 -0.223 0.000 0.894 171 D CB 1.537 42.180 40.800 -0.262 0.000 1.248 171 D HN 0.036 nan 8.370 nan 0.000 0.468 172 I N 1.859 122.132 120.570 -0.495 0.000 2.359 172 I HA 0.273 5.470 4.170 1.712 0.000 0.294 172 I C -0.629 175.069 176.117 -0.698 0.000 0.987 172 I CA -0.556 60.438 61.300 -0.510 0.000 1.225 172 I CB 0.679 38.296 38.000 -0.639 0.000 1.366 172 I HN 0.171 nan 8.210 nan 0.000 0.466 173 Y N 4.257 124.151 120.300 -0.676 0.000 2.570 173 Y HA 0.697 6.274 4.550 1.711 0.000 0.345 173 Y C -0.295 175.282 175.900 -0.539 0.000 1.014 173 Y CA -1.010 56.664 58.100 -0.711 0.000 1.063 173 Y CB 2.231 39.984 38.460 -1.178 0.000 1.272 173 Y HN 0.127 nan 8.280 nan 0.000 0.477 174 V N 2.311 122.199 119.914 -0.044 0.000 2.709 174 V HA 0.411 5.558 4.120 1.712 0.000 0.308 174 V C -0.966 175.258 176.094 0.217 0.000 1.062 174 V CA -1.402 60.977 62.300 0.133 0.000 0.901 174 V CB 2.038 33.973 31.823 0.186 0.000 1.003 174 V HN 0.622 nan 8.190 nan 0.000 0.425 175 K N 4.785 125.321 120.400 0.227 0.000 2.425 175 K HA 0.485 5.832 4.320 1.712 0.000 0.259 175 K C 0.381 177.080 176.600 0.164 0.000 0.978 175 K CA -0.691 55.678 56.287 0.136 0.000 0.883 175 K CB 1.892 34.440 32.500 0.079 0.000 1.110 175 K HN 0.431 nan 8.250 nan 0.000 0.436 176 I N 0.921 121.599 120.570 0.179 0.000 2.202 176 I HA -0.127 5.070 4.170 1.712 0.000 0.242 176 I C 0.630 176.827 176.117 0.132 0.000 1.091 176 I CA 1.535 62.936 61.300 0.169 0.000 1.368 176 I CB -0.274 37.849 38.000 0.205 0.000 1.058 176 I HN 0.516 nan 8.210 nan 0.000 0.410 177 E N 0.560 120.824 120.200 0.106 0.000 2.195 177 E HA 0.260 5.637 4.350 1.712 0.000 0.271 177 E C -1.802 174.775 176.600 -0.037 0.000 0.923 177 E CA -2.080 54.375 56.400 0.092 0.000 0.790 177 E CB 1.531 31.287 29.700 0.094 0.000 1.155 177 E HN -0.059 nan 8.360 nan 0.000 0.402 178 P HA -0.154 nan 4.420 nan 0.000 0.216 178 P C 0.965 178.171 177.300 -0.156 0.000 1.153 178 P CA 1.233 64.190 63.100 -0.239 0.000 0.848 178 P CB 0.231 31.630 31.700 -0.502 0.000 0.787 179 N N -0.474 118.151 118.700 -0.125 0.000 2.512 179 N HA -0.064 5.703 4.740 1.712 0.000 0.183 179 N C 0.458 175.936 175.510 -0.053 0.000 1.073 179 N CA 0.489 53.502 53.050 -0.061 0.000 0.911 179 N CB -0.825 37.651 38.487 -0.017 0.000 0.964 179 N HN 0.149 nan 8.380 nan 0.000 0.447 180 L N 1.082 122.270 121.223 -0.057 0.000 2.456 180 L HA 0.370 5.737 4.340 1.712 0.000 0.257 180 L C -1.957 174.849 176.870 -0.105 0.000 1.162 180 L CA -1.830 52.971 54.840 -0.065 0.000 0.808 180 L CB 0.502 42.530 42.059 -0.052 0.000 1.136 180 L HN -0.035 nan 8.230 nan 0.000 0.466 181 P HA 0.094 nan 4.420 nan 0.000 0.271 181 P C -1.426 175.729 177.300 -0.241 0.000 1.233 181 P CA -0.368 62.638 63.100 -0.157 0.000 0.789 181 P CB 0.512 32.126 31.700 -0.143 0.000 0.951 182 S N 0.304 115.910 115.700 -0.158 0.000 2.451 182 S HA 0.474 5.971 4.470 1.712 0.000 0.301 182 S C -0.812 173.735 174.600 -0.088 0.000 1.116 182 S CA -0.662 57.475 58.200 -0.104 0.000 1.093 182 S CB -0.003 63.288 63.200 0.151 0.000 1.017 182 S HN 0.181 nan 8.310 nan 0.000 0.482 183 Y N 1.602 121.958 120.300 0.092 0.000 2.425 183 Y HA 0.338 5.915 4.550 1.711 0.000 0.331 183 Y C 1.113 176.982 175.900 -0.052 0.000 1.157 183 Y CA -0.573 57.557 58.100 0.050 0.000 1.372 183 Y CB 0.561 39.044 38.460 0.039 0.000 1.253 183 Y HN 0.691 nan 8.280 nan 0.000 0.536 184 R N 3.024 123.517 120.500 -0.011 0.000 2.202 184 R HA 0.319 5.686 4.340 1.712 0.000 0.334 184 R C -0.012 176.042 176.300 -0.410 0.000 1.036 184 R CA -0.263 55.488 56.100 -0.582 0.000 0.878 184 R CB 0.299 30.059 30.300 -0.900 0.000 1.067 184 R HN 0.806 nan 8.270 nan 0.000 0.457 185 I N 2.251 122.511 120.570 -0.516 0.000 2.400 185 I HA -0.083 5.114 4.170 1.712 0.000 0.248 185 I C 0.988 176.924 176.117 -0.301 0.000 1.109 185 I CA 1.254 62.365 61.300 -0.314 0.000 1.425 185 I CB 0.055 37.849 38.000 -0.343 0.000 1.094 185 I HN 0.714 nan 8.210 nan 0.000 0.425 186 T N -4.175 110.062 114.554 -0.529 0.000 2.932 186 T HA 0.320 5.697 4.350 1.712 0.000 0.289 186 T C -0.578 173.846 174.700 -0.460 0.000 1.039 186 T CA -0.556 61.332 62.100 -0.354 0.000 1.024 186 T CB 1.373 69.996 68.868 -0.409 0.000 1.090 186 T HN 0.192 nan 8.240 nan 0.000 0.496 187 W N 0.020 121.200 121.300 -0.202 0.000 2.304 187 W HA 0.241 5.929 4.660 1.712 0.000 0.326 187 W C 1.785 178.244 176.519 -0.100 0.000 0.920 187 W CA -0.165 57.100 57.345 -0.133 0.000 1.518 187 W CB 0.207 29.609 29.460 -0.097 0.000 1.112 187 W HN 0.929 nan 8.180 nan 0.000 0.528 188 T N -2.899 111.687 114.554 0.054 0.000 3.060 188 T HA 0.284 5.661 4.350 1.712 0.000 0.249 188 T C 1.191 175.882 174.700 -0.014 0.000 1.079 188 T CA 0.255 62.373 62.100 0.030 0.000 1.013 188 T CB 0.001 68.880 68.868 0.018 0.000 0.975 188 T HN -0.008 nan 8.240 nan 0.000 0.518 189 G N 1.195 109.955 108.800 -0.067 0.000 2.365 189 G HA2 0.440 5.427 3.960 1.712 0.000 0.249 189 G HA3 0.440 5.427 3.960 1.712 0.000 0.249 189 G C -0.742 174.091 174.900 -0.112 0.000 1.288 189 G CA -0.509 44.526 45.100 -0.108 0.000 0.887 189 G HN 0.501 nan 8.290 nan 0.000 0.524 190 K N 2.118 122.433 120.400 -0.141 0.000 2.565 190 K HA 0.145 5.492 4.320 1.712 0.000 0.251 190 K C -0.100 176.379 176.600 -0.202 0.000 0.956 190 K CA -0.641 55.564 56.287 -0.138 0.000 0.809 190 K CB 1.622 34.077 32.500 -0.076 0.000 1.267 190 K HN 0.582 nan 8.250 nan 0.000 0.438 191 E N 2.496 122.578 120.200 -0.196 0.000 2.829 191 E HA -0.180 5.197 4.350 1.712 0.000 0.264 191 E C -0.487 176.012 176.600 -0.169 0.000 0.922 191 E CA 1.372 57.654 56.400 -0.197 0.000 0.960 191 E CB 0.210 29.833 29.700 -0.127 0.000 0.918 191 E HN 0.648 nan 8.360 nan 0.000 0.497 192 D N 1.570 121.852 120.400 -0.197 0.000 3.070 192 D HA -0.251 5.416 4.640 1.712 0.000 0.220 192 D C 0.512 176.838 176.300 0.044 0.000 1.176 192 D CA 1.480 55.488 54.000 0.013 0.000 0.924 192 D CB -0.856 39.998 40.800 0.090 0.000 1.124 192 D HN 0.452 nan 8.370 nan 0.000 0.411 193 I N -1.371 119.128 120.570 -0.118 0.000 3.685 193 I HA 0.065 5.262 4.170 1.712 0.000 0.258 193 I C 0.290 176.434 176.117 0.044 0.000 1.135 193 I CA -0.155 61.160 61.300 0.025 0.000 1.436 193 I CB 0.648 38.654 38.000 0.010 0.000 1.670 193 I HN -0.186 nan 8.210 nan 0.000 0.424 194 I N 2.071 122.582 120.570 -0.099 0.000 2.382 194 I HA 0.243 5.440 4.170 1.712 0.000 0.285 194 I C -1.397 174.663 176.117 -0.094 0.000 1.007 194 I CA -0.440 60.864 61.300 0.008 0.000 1.142 194 I CB 0.481 38.494 38.000 0.022 0.000 1.289 194 I HN 0.089 nan 8.210 nan 0.000 0.453 195 Y N 4.874 125.261 120.300 0.145 0.000 2.434 195 Y HA 0.353 5.930 4.550 1.712 0.000 0.341 195 Y C 0.577 176.536 175.900 0.098 0.000 0.965 195 Y CA -0.686 57.499 58.100 0.141 0.000 1.205 195 Y CB 0.552 39.178 38.460 0.276 0.000 1.121 195 Y HN 0.400 nan 8.280 nan 0.000 0.507 196 N N 2.450 121.197 118.700 0.078 0.000 2.426 196 N HA 0.296 6.063 4.740 1.712 0.000 0.257 196 N C 0.979 176.408 175.510 -0.135 0.000 1.002 196 N CA 0.544 53.560 53.050 -0.057 0.000 0.942 196 N CB 1.720 40.057 38.487 -0.251 0.000 1.112 196 N HN 0.971 nan 8.380 nan 0.000 0.499 197 G N 1.589 110.338 108.800 -0.085 0.000 2.184 197 G HA2 -0.265 4.722 3.960 1.712 0.000 0.264 197 G HA3 -0.265 4.722 3.960 1.712 0.000 0.264 197 G C 0.125 174.876 174.900 -0.249 0.000 0.975 197 G CA 0.787 45.774 45.100 -0.189 0.000 0.642 197 G HN 0.674 nan 8.290 nan 0.000 0.536 198 I N -1.846 118.647 120.570 -0.130 0.000 2.828 198 I HA 0.814 6.011 4.170 1.712 0.000 0.302 198 I C 0.350 176.497 176.117 0.050 0.000 1.101 198 I CA -0.648 60.480 61.300 -0.286 0.000 1.031 198 I CB 2.010 39.635 38.000 -0.626 0.000 1.231 198 I HN 0.190 nan 8.210 nan 0.000 0.427 199 T N -0.211 114.301 114.554 -0.069 0.000 2.882 199 T HA 0.334 5.711 4.350 1.712 0.000 0.287 199 T C -0.062 174.404 174.700 -0.389 0.000 1.014 199 T CA -0.568 61.378 62.100 -0.256 0.000 1.049 199 T CB 1.143 69.935 68.868 -0.127 0.000 1.001 199 T HN 0.797 nan 8.240 nan 0.000 0.525 200 D N 0.252 120.166 120.400 -0.810 0.000 2.478 200 D HA 0.018 5.684 4.640 1.712 0.000 0.274 200 D C 1.028 177.236 176.300 -0.152 0.000 1.234 200 D CA -1.013 52.511 54.000 -0.793 0.000 1.069 200 D CB 0.015 40.313 40.800 -0.835 0.000 1.113 200 D HN 0.706 nan 8.370 nan 0.000 0.571 201 W N -0.091 121.155 121.300 -0.090 0.000 2.335 201 W HA -0.203 5.483 4.660 1.710 0.000 0.311 201 W C 2.137 178.569 176.519 -0.144 0.000 1.213 201 W CA 2.204 59.513 57.345 -0.060 0.000 1.274 201 W CB -0.411 28.956 29.460 -0.155 0.000 1.148 201 W HN 0.173 nan 8.180 nan 0.000 0.498 202 V N -0.461 119.510 119.914 0.095 0.000 2.591 202 V HA -0.234 4.913 4.120 1.712 0.000 0.249 202 V C 1.681 177.595 176.094 -0.299 0.000 1.053 202 V CA 1.626 63.885 62.300 -0.068 0.000 1.068 202 V CB -0.654 31.131 31.823 -0.064 0.000 0.689 202 V HN 0.258 nan 8.190 nan 0.000 0.462 203 Y N 0.436 120.531 120.300 -0.341 0.000 2.509 203 Y HA -0.100 5.477 4.550 1.711 0.000 0.293 203 Y C 2.476 178.231 175.900 -0.243 0.000 1.133 203 Y CA 1.780 59.656 58.100 -0.374 0.000 1.283 203 Y CB 0.207 38.296 38.460 -0.619 0.000 1.001 203 Y HN 0.399 nan 8.280 nan 0.000 0.555 204 E N 0.110 120.236 120.200 -0.124 0.000 2.060 204 E HA -0.200 5.177 4.350 1.712 0.000 0.189 204 E C 1.942 178.470 176.600 -0.120 0.000 0.974 204 E CA 1.009 57.373 56.400 -0.059 0.000 0.808 204 E CB 0.102 29.768 29.700 -0.056 0.000 0.768 204 E HN 0.308 nan 8.360 nan 0.000 0.453 205 E N 0.526 120.471 120.200 -0.426 0.000 2.047 205 E HA -0.161 5.216 4.350 1.712 0.000 0.191 205 E C 1.501 177.985 176.600 -0.194 0.000 0.987 205 E CA 1.605 57.758 56.400 -0.412 0.000 0.799 205 E CB 0.199 29.370 29.700 -0.880 0.000 0.752 205 E HN 0.220 nan 8.360 nan 0.000 0.449 206 E N -1.008 119.050 120.200 -0.236 0.000 2.490 206 E HA 0.109 5.486 4.350 1.712 0.000 0.209 206 E C 1.573 178.025 176.600 -0.247 0.000 0.971 206 E CA 0.231 56.531 56.400 -0.166 0.000 0.988 206 E CB 1.093 30.698 29.700 -0.159 0.000 1.029 206 E HN 0.179 nan 8.360 nan 0.000 0.496 207 V N -0.372 119.335 119.914 -0.345 0.000 2.939 207 V HA 0.060 5.207 4.120 1.712 0.000 0.228 207 V C 1.374 177.257 176.094 -0.351 0.000 1.162 207 V CA 0.622 62.626 62.300 -0.494 0.000 1.222 207 V CB -0.332 30.989 31.823 -0.837 0.000 1.053 207 V HN 0.003 nan 8.190 nan 0.000 0.504 208 F N 1.022 120.991 119.950 0.031 0.000 2.776 208 F HA 0.277 5.831 4.527 1.711 0.000 0.300 208 F C 1.480 177.239 175.800 -0.069 0.000 1.116 208 F CA -0.010 58.017 58.000 0.045 0.000 1.375 208 F CB -0.691 38.381 39.000 0.121 0.000 1.109 208 F HN 0.103 nan 8.300 nan 0.000 0.585 209 S N 0.658 116.372 115.700 0.023 0.000 3.491 209 S HA 0.045 5.542 4.470 1.712 0.000 0.371 209 S C 0.107 174.275 174.600 -0.721 0.000 0.980 209 S CA 0.408 58.493 58.200 -0.190 0.000 1.204 209 S CB -1.875 61.281 63.200 -0.075 0.000 0.915 209 S HN 0.721 nan 8.310 nan 0.000 0.482 210 A N -0.580 122.018 122.820 -0.369 0.000 2.590 210 A HA 0.611 5.958 4.320 1.712 0.000 0.294 210 A C -0.329 177.229 177.584 -0.043 0.000 1.046 210 A CA -0.428 51.435 52.037 -0.291 0.000 0.684 210 A CB 0.190 19.037 19.000 -0.256 0.000 1.279 210 A HN 0.367 nan 8.150 nan 0.000 0.415 211 Y N 1.484 121.640 120.300 -0.240 0.000 2.314 211 Y HA 0.105 5.682 4.550 1.713 0.000 0.294 211 Y C 1.616 177.238 175.900 -0.464 0.000 1.119 211 Y CA 1.198 59.156 58.100 -0.236 0.000 1.179 211 Y CB 0.291 38.645 38.460 -0.176 0.000 1.025 211 Y HN 0.722 nan 8.280 nan 0.000 0.541 212 S N 0.615 115.792 115.700 -0.871 0.000 2.516 212 S HA 0.307 5.804 4.470 1.712 0.000 0.282 212 S C 0.218 174.240 174.600 -0.963 0.000 1.286 212 S CA 0.212 57.590 58.200 -1.370 0.000 1.066 212 S CB 0.849 62.887 63.200 -1.938 0.000 0.884 212 S HN 0.418 nan 8.310 nan 0.000 0.491 213 A N 5.923 128.204 122.820 -0.897 0.000 2.705 213 A HA 0.477 5.824 4.320 1.712 0.000 0.294 213 A C -0.268 176.630 177.584 -1.144 0.000 1.039 213 A CA -0.477 50.980 52.037 -0.967 0.000 1.005 213 A CB 0.021 18.919 19.000 -0.169 0.000 1.192 213 A HN 0.717 nan 8.150 nan 0.000 0.513 214 L N -0.070 120.443 121.223 -1.183 0.000 2.330 214 L HA 0.634 6.001 4.340 1.712 0.000 0.271 214 L C -0.820 175.551 176.870 -0.832 0.000 1.013 214 L CA -0.715 53.704 54.840 -0.701 0.000 0.816 214 L CB 1.632 43.490 42.059 -0.336 0.000 1.287 214 L HN 0.405 nan 8.230 nan 0.000 0.435 215 W N 1.493 122.812 121.300 0.031 0.000 2.934 215 W HA 0.207 5.894 4.660 1.711 0.000 0.333 215 W C -1.356 175.387 176.519 0.374 0.000 1.035 215 W CA -1.009 56.480 57.345 0.240 0.000 1.256 215 W CB 1.206 30.835 29.460 0.283 0.000 1.306 215 W HN 0.485 nan 8.180 nan 0.000 0.430 216 W N 2.585 124.119 121.300 0.389 0.000 2.218 216 W HA 0.263 5.950 4.660 1.711 0.000 0.326 216 W C 1.267 177.623 176.519 -0.272 0.000 1.276 216 W CA 0.225 57.654 57.345 0.140 0.000 1.210 216 W CB 0.990 30.500 29.460 0.083 0.000 1.143 216 W HN 0.178 nan 8.180 nan 0.000 0.563 217 S N 2.991 118.409 115.700 -0.469 0.000 2.579 217 S HA 0.098 5.595 4.470 1.712 0.000 0.275 217 S C -1.726 172.594 174.600 -0.467 0.000 1.345 217 S CA -0.954 56.406 58.200 -1.399 0.000 1.031 217 S CB 0.896 63.419 63.200 -1.129 0.000 0.892 217 S HN 0.307 nan 8.310 nan 0.000 0.529 218 P HA -0.169 nan 4.420 nan 0.000 0.218 218 P C 0.646 177.908 177.300 -0.064 0.000 1.152 218 P CA 1.701 64.754 63.100 -0.078 0.000 0.857 218 P CB -0.245 31.456 31.700 0.002 0.000 0.787 219 N N -2.298 116.348 118.700 -0.090 0.000 2.273 219 N HA 0.193 5.960 4.740 1.712 0.000 0.231 219 N C 0.994 176.428 175.510 -0.127 0.000 1.134 219 N CA 0.098 53.096 53.050 -0.087 0.000 0.856 219 N CB -0.759 37.693 38.487 -0.058 0.000 1.068 219 N HN 0.134 nan 8.380 nan 0.000 0.510 220 G N -0.626 108.099 108.800 -0.125 0.000 2.189 220 G HA2 -0.384 4.603 3.960 1.712 0.000 0.267 220 G HA3 -0.384 4.603 3.960 1.712 0.000 0.267 220 G C 1.012 175.944 174.900 0.052 0.000 0.975 220 G CA 1.042 46.062 45.100 -0.134 0.000 0.644 220 G HN 0.395 nan 8.290 nan 0.000 0.537 221 T N -0.298 114.209 114.554 -0.079 0.000 2.708 221 T HA 0.167 5.543 4.350 1.712 0.000 0.266 221 T C 0.756 175.282 174.700 -0.290 0.000 1.037 221 T CA 1.429 63.366 62.100 -0.271 0.000 1.146 221 T CB -0.088 68.468 68.868 -0.520 0.000 0.865 221 T HN 0.314 nan 8.240 nan 0.000 0.435 222 F N -0.039 119.970 119.950 0.098 0.000 2.522 222 F HA 0.625 6.179 4.527 1.711 0.000 0.324 222 F C -0.352 175.525 175.800 0.129 0.000 1.077 222 F CA -1.662 56.418 58.000 0.133 0.000 0.944 222 F CB 1.340 40.462 39.000 0.204 0.000 1.175 222 F HN -0.151 nan 8.300 nan 0.000 0.468 223 L N 2.913 124.285 121.223 0.248 0.000 2.318 223 L HA 0.761 6.128 4.340 1.712 0.000 0.277 223 L C -0.472 176.478 176.870 0.133 0.000 1.008 223 L CA -0.552 54.257 54.840 -0.052 0.000 0.846 223 L CB 0.443 42.256 42.059 -0.411 0.000 1.220 223 L HN 0.665 nan 8.230 nan 0.000 0.423 224 A N 5.047 128.024 122.820 0.261 0.000 2.309 224 A HA 0.689 6.036 4.320 1.712 0.000 0.298 224 A C -1.290 176.368 177.584 0.122 0.000 1.165 224 A CA -0.267 51.789 52.037 0.031 0.000 0.821 224 A CB 0.306 19.362 19.000 0.094 0.000 1.102 224 A HN 0.775 nan 8.150 nan 0.000 0.500 225 Y N -0.844 119.263 120.300 -0.322 0.000 2.562 225 Y HA 0.766 6.342 4.550 1.711 0.000 0.345 225 Y C -0.156 175.602 175.900 -0.237 0.000 1.045 225 Y CA -1.038 56.980 58.100 -0.135 0.000 1.028 225 Y CB 1.012 39.354 38.460 -0.198 0.000 1.297 225 Y HN 0.835 nan 8.280 nan 0.000 0.463 226 A N 2.679 125.624 122.820 0.207 0.000 2.293 226 A HA 0.572 5.919 4.320 1.712 0.000 0.302 226 A C -0.862 176.650 177.584 -0.120 0.000 1.119 226 A CA -0.766 51.237 52.037 -0.057 0.000 0.823 226 A CB 1.292 20.189 19.000 -0.172 0.000 1.097 226 A HN 0.810 nan 8.150 nan 0.000 0.491 227 Q N 1.416 121.094 119.800 -0.204 0.000 2.325 227 Q HA 0.547 5.914 4.340 1.712 0.000 0.270 227 Q C -1.973 173.872 176.000 -0.259 0.000 1.020 227 Q CA -0.340 55.434 55.803 -0.047 0.000 0.785 227 Q CB 0.921 29.859 28.738 0.334 0.000 1.259 227 Q HN 0.600 nan 8.270 nan 0.000 0.452 228 F N 2.274 122.351 119.950 0.211 0.000 2.422 228 F HA 0.422 5.976 4.527 1.712 0.000 0.333 228 F C 0.577 176.553 175.800 0.292 0.000 1.095 228 F CA -0.817 57.293 58.000 0.183 0.000 1.038 228 F CB 1.155 40.181 39.000 0.043 0.000 1.156 228 F HN 0.428 nan 8.300 nan 0.000 0.483 229 N N 1.649 120.597 118.700 0.414 0.000 2.483 229 N HA 0.242 6.009 4.740 1.712 0.000 0.267 229 N C -0.873 174.816 175.510 0.298 0.000 0.998 229 N CA -0.326 52.910 53.050 0.309 0.000 0.918 229 N CB 1.164 39.780 38.487 0.214 0.000 1.215 229 N HN 0.517 nan 8.380 nan 0.000 0.500 230 D N 1.121 121.705 120.400 0.307 0.000 2.433 230 D HA 0.098 5.765 4.640 1.712 0.000 0.211 230 D C 1.192 177.603 176.300 0.185 0.000 1.114 230 D CA 0.261 54.424 54.000 0.272 0.000 0.837 230 D CB 0.485 41.512 40.800 0.379 0.000 0.984 230 D HN 0.507 nan 8.370 nan 0.000 0.505 231 T N 0.509 115.154 114.554 0.151 0.000 2.668 231 T HA -0.259 5.118 4.350 1.712 0.000 0.265 231 T C 1.403 176.158 174.700 0.091 0.000 1.041 231 T CA 1.454 63.617 62.100 0.105 0.000 1.160 231 T CB -0.083 68.837 68.868 0.086 0.000 0.857 231 T HN 0.304 nan 8.240 nan 0.000 0.455 232 E N 0.242 120.498 120.200 0.093 0.000 2.476 232 E HA 0.177 5.554 4.350 1.712 0.000 0.196 232 E C -0.438 176.210 176.600 0.079 0.000 1.029 232 E CA -0.216 56.229 56.400 0.075 0.000 0.896 232 E CB 0.593 30.330 29.700 0.063 0.000 1.012 232 E HN 0.253 nan 8.360 nan 0.000 0.475 233 V N 3.521 123.496 119.914 0.102 0.000 2.508 233 V HA 0.112 5.259 4.120 1.712 0.000 0.281 233 V C -2.027 174.122 176.094 0.093 0.000 1.041 233 V CA -1.503 60.858 62.300 0.103 0.000 1.016 233 V CB 0.307 32.207 31.823 0.130 0.000 0.984 233 V HN 0.031 nan 8.190 nan 0.000 0.478 234 P HA 0.253 nan 4.420 nan 0.000 0.271 234 P C -0.726 176.620 177.300 0.077 0.000 1.233 234 P CA -0.218 62.923 63.100 0.069 0.000 0.789 234 P CB 0.494 32.234 31.700 0.066 0.000 0.951 235 L N 1.694 122.942 121.223 0.042 0.000 2.317 235 L HA 0.454 5.821 4.340 1.712 0.000 0.281 235 L C 0.249 177.092 176.870 -0.046 0.000 1.024 235 L CA -1.037 53.813 54.840 0.016 0.000 0.810 235 L CB 1.147 43.204 42.059 -0.002 0.000 1.240 235 L HN 0.275 nan 8.230 nan 0.000 0.427 236 I N 2.495 122.996 120.570 -0.115 0.000 2.395 236 I HA 0.197 5.394 4.170 1.712 0.000 0.289 236 I C -0.284 175.702 176.117 -0.220 0.000 1.023 236 I CA 0.224 61.355 61.300 -0.281 0.000 1.350 236 I CB 0.665 38.224 38.000 -0.735 0.000 1.409 236 I HN 0.564 nan 8.210 nan 0.000 0.507 237 E N 7.642 127.733 120.200 -0.182 0.000 2.199 237 E HA 0.448 5.825 4.350 1.712 0.000 0.265 237 E C -1.701 174.840 176.600 -0.098 0.000 0.882 237 E CA -0.539 55.750 56.400 -0.184 0.000 0.759 237 E CB 1.758 31.379 29.700 -0.131 0.000 1.148 237 E HN 0.580 nan 8.360 nan 0.000 0.412 238 Y N -1.411 118.797 120.300 -0.153 0.000 2.615 238 Y HA 0.589 6.167 4.550 1.713 0.000 0.341 238 Y C -0.553 175.262 175.900 -0.142 0.000 1.089 238 Y CA -1.409 56.602 58.100 -0.148 0.000 1.049 238 Y CB 0.877 39.249 38.460 -0.145 0.000 1.296 238 Y HN 0.138 nan 8.280 nan 0.000 0.470 239 S N 1.887 117.579 115.700 -0.014 0.000 2.513 239 S HA 0.412 5.909 4.470 1.712 0.000 0.276 239 S C -1.359 173.068 174.600 -0.289 0.000 1.254 239 S CA -0.416 57.611 58.200 -0.288 0.000 1.053 239 S CB 0.144 63.012 63.200 -0.554 0.000 0.958 239 S HN 0.526 nan 8.310 nan 0.000 0.491 240 F N 2.824 122.542 119.950 -0.385 0.000 2.449 240 F HA 0.438 5.991 4.527 1.710 0.000 0.342 240 F C -0.122 175.495 175.800 -0.305 0.000 1.127 240 F CA -0.844 57.012 58.000 -0.240 0.000 0.975 240 F CB 0.785 39.764 39.000 -0.036 0.000 1.146 240 F HN 0.658 nan 8.300 nan 0.000 0.444 241 Y N 2.972 123.055 120.300 -0.362 0.000 2.436 241 Y HA 0.110 5.686 4.550 1.711 0.000 0.288 241 Y C 1.609 177.450 175.900 -0.099 0.000 1.112 241 Y CA 0.947 58.941 58.100 -0.176 0.000 1.220 241 Y CB -0.350 37.990 38.460 -0.200 0.000 1.073 241 Y HN 0.748 nan 8.280 nan 0.000 0.552 242 S N 0.347 115.981 115.700 -0.111 0.000 3.633 242 S HA -0.308 5.189 4.470 1.712 0.000 0.637 242 S C -0.213 174.455 174.600 0.113 0.000 2.289 242 S CA 0.214 58.527 58.200 0.189 0.000 2.476 242 S CB -1.501 61.934 63.200 0.391 0.000 0.330 242 S HN 0.520 nan 8.310 nan 0.000 1.787 243 D N 1.097 121.579 120.400 0.136 0.000 2.472 243 D HA 0.203 5.870 4.640 1.712 0.000 0.237 243 D C 1.457 177.794 176.300 0.062 0.000 1.141 243 D CA 1.017 55.069 54.000 0.086 0.000 0.875 243 D CB 0.517 41.366 40.800 0.083 0.000 1.192 243 D HN 0.611 nan 8.370 nan 0.000 0.450 244 E N 1.384 121.605 120.200 0.036 0.000 2.236 244 E HA -0.320 5.057 4.350 1.712 0.000 0.205 244 E C 1.337 177.948 176.600 0.019 0.000 1.028 244 E CA 1.608 58.017 56.400 0.016 0.000 0.827 244 E CB 0.012 29.716 29.700 0.006 0.000 0.735 244 E HN 0.541 nan 8.360 nan 0.000 0.470 245 S N -0.188 115.531 115.700 0.031 0.000 2.496 245 S HA 0.003 5.500 4.470 1.712 0.000 0.224 245 S C 1.073 175.697 174.600 0.039 0.000 0.996 245 S CA -0.240 57.978 58.200 0.029 0.000 0.927 245 S CB -0.055 63.164 63.200 0.032 0.000 0.774 245 S HN 0.247 nan 8.310 nan 0.000 0.524 246 L N 2.393 123.651 121.223 0.057 0.000 2.477 246 L HA 0.115 5.482 4.340 1.712 0.000 0.272 246 L C 1.418 178.318 176.870 0.049 0.000 1.157 246 L CA 0.238 55.124 54.840 0.076 0.000 0.889 246 L CB 0.986 43.111 42.059 0.110 0.000 1.158 246 L HN 0.468 nan 8.230 nan 0.000 0.473 247 Q N 4.122 123.949 119.800 0.045 0.000 2.036 247 Q HA -0.039 5.328 4.340 1.712 0.000 0.195 247 Q C -0.460 175.441 176.000 -0.164 0.000 0.971 247 Q CA 0.921 56.689 55.803 -0.058 0.000 0.826 247 Q CB 0.187 28.902 28.738 -0.039 0.000 0.896 247 Q HN 0.610 nan 8.270 nan 0.000 0.449 248 Y N 1.348 121.669 120.300 0.035 0.000 2.320 248 Y HA 0.309 5.886 4.550 1.711 0.000 0.334 248 Y C -1.980 173.946 175.900 0.043 0.000 1.055 248 Y CA -2.659 55.461 58.100 0.032 0.000 1.143 248 Y CB 0.906 39.375 38.460 0.015 0.000 1.193 248 Y HN 0.235 nan 8.280 nan 0.000 0.477 249 P HA 0.081 nan 4.420 nan 0.000 0.272 249 P C -0.698 176.635 177.300 0.056 0.000 1.223 249 P CA -0.636 62.523 63.100 0.098 0.000 0.784 249 P CB 0.769 32.497 31.700 0.047 0.000 0.923 250 K N 0.732 121.153 120.400 0.036 0.000 2.118 250 K HA 0.362 5.709 4.320 1.712 0.000 0.264 250 K C -0.670 175.899 176.600 -0.052 0.000 1.000 250 K CA -0.323 55.977 56.287 0.021 0.000 0.929 250 K CB 0.432 32.972 32.500 0.067 0.000 1.021 250 K HN 0.339 nan 8.250 nan 0.000 0.463 251 T N 2.625 117.131 114.554 -0.080 0.000 2.821 251 T HA 0.219 5.596 4.350 1.712 0.000 0.307 251 T C -0.581 173.996 174.700 -0.205 0.000 1.034 251 T CA -0.675 61.339 62.100 -0.144 0.000 0.953 251 T CB 0.922 69.719 68.868 -0.118 0.000 0.968 251 T HN 0.276 nan 8.240 nan 0.000 0.462 252 V N 5.564 125.265 119.914 -0.356 0.000 2.614 252 V HA 0.395 5.542 4.120 1.712 0.000 0.291 252 V C 0.512 176.299 176.094 -0.511 0.000 1.049 252 V CA -0.377 61.632 62.300 -0.485 0.000 1.038 252 V CB 0.225 31.548 31.823 -0.833 0.000 0.980 252 V HN 0.802 nan 8.190 nan 0.000 0.481 253 R N 3.506 123.845 120.500 -0.267 0.000 2.510 253 R HA 0.772 6.139 4.340 1.712 0.000 0.294 253 R C -1.911 174.371 176.300 -0.031 0.000 1.056 253 R CA -0.715 55.283 56.100 -0.170 0.000 0.918 253 R CB 1.519 31.753 30.300 -0.110 0.000 1.187 253 R HN 0.359 nan 8.270 nan 0.000 0.437 254 V N 2.260 122.169 119.914 -0.010 0.000 2.604 254 V HA 0.458 5.605 4.120 1.712 0.000 0.305 254 V C -2.370 173.790 176.094 0.109 0.000 1.043 254 V CA -2.769 59.604 62.300 0.123 0.000 0.888 254 V CB 2.078 33.944 31.823 0.073 0.000 0.995 254 V HN 0.652 nan 8.190 nan 0.000 0.429 255 P HA 0.219 nan 4.420 nan 0.000 0.271 255 P C -1.352 176.052 177.300 0.173 0.000 1.233 255 P CA 0.311 63.521 63.100 0.184 0.000 0.764 255 P CB -0.139 31.711 31.700 0.250 0.000 0.825 256 Y N 6.094 126.382 120.300 -0.020 0.000 2.317 256 Y HA 0.358 5.935 4.550 1.711 0.000 0.325 256 Y C -2.591 173.291 175.900 -0.030 0.000 1.066 256 Y CA -2.716 55.325 58.100 -0.098 0.000 1.203 256 Y CB 1.971 40.289 38.460 -0.237 0.000 1.127 256 Y HN 0.303 nan 8.280 nan 0.000 0.451 257 P HA 0.210 nan 4.420 nan 0.000 0.281 257 P C -1.022 176.282 177.300 0.007 0.000 1.286 257 P CA -0.126 62.971 63.100 -0.005 0.000 0.772 257 P CB 1.160 32.847 31.700 -0.022 0.000 0.862 258 K N 2.048 122.556 120.400 0.180 0.000 2.098 258 K HA 0.525 5.872 4.320 1.712 0.000 0.257 258 K C 0.441 177.124 176.600 0.138 0.000 0.999 258 K CA -0.769 55.651 56.287 0.221 0.000 0.924 258 K CB 0.793 33.450 32.500 0.262 0.000 1.028 258 K HN 0.466 nan 8.250 nan 0.000 0.466 259 A N 0.955 123.882 122.820 0.177 0.000 2.608 259 A HA 0.117 5.464 4.320 1.712 0.000 0.246 259 A C 1.267 178.873 177.584 0.037 0.000 0.998 259 A CA 1.281 53.409 52.037 0.153 0.000 0.796 259 A CB -1.204 17.971 19.000 0.292 0.000 0.895 259 A HN 0.970 nan 8.150 nan 0.000 0.508 260 G N 0.937 109.741 108.800 0.007 0.000 2.189 260 G HA2 0.072 5.059 3.960 1.712 0.000 0.267 260 G HA3 0.072 5.059 3.960 1.712 0.000 0.267 260 G C 0.740 175.640 174.900 -0.000 0.000 0.975 260 G CA 1.129 46.210 45.100 -0.031 0.000 0.644 260 G HN 2.312 nan 8.290 nan 0.000 0.537 261 A N -0.549 122.289 122.820 0.030 0.000 2.259 261 A HA 0.731 6.078 4.320 1.712 0.000 0.278 261 A C 0.823 178.429 177.584 0.037 0.000 1.107 261 A CA 0.275 52.337 52.037 0.040 0.000 0.828 261 A CB 0.712 19.752 19.000 0.068 0.000 1.111 261 A HN 1.114 nan 8.150 nan 0.000 0.498 262 V N 2.432 122.370 119.914 0.041 0.000 2.485 262 V HA 0.019 5.166 4.120 1.712 0.000 0.287 262 V C 0.326 176.454 176.094 0.057 0.000 1.022 262 V CA -0.000 62.325 62.300 0.042 0.000 1.067 262 V CB -0.253 31.596 31.823 0.044 0.000 0.967 262 V HN 0.788 nan 8.190 nan 0.000 0.479 263 N N 6.744 125.474 118.700 0.051 0.000 2.493 263 N HA 0.446 6.213 4.740 1.712 0.000 0.275 263 N C -2.263 173.317 175.510 0.116 0.000 1.186 263 N CA -1.473 51.625 53.050 0.080 0.000 0.978 263 N CB 1.001 39.519 38.487 0.052 0.000 1.184 263 N HN 0.384 nan 8.380 nan 0.000 0.487 264 P HA 0.076 nan 4.420 nan 0.000 0.271 264 P C -0.697 176.752 177.300 0.249 0.000 1.233 264 P CA -0.045 63.208 63.100 0.254 0.000 0.789 264 P CB 0.246 32.157 31.700 0.352 0.000 0.951 265 T N -2.492 112.211 114.554 0.247 0.000 2.887 265 T HA 0.521 5.897 4.350 1.712 0.000 0.288 265 T C -0.585 174.266 174.700 0.252 0.000 1.021 265 T CA -0.915 61.293 62.100 0.179 0.000 1.000 265 T CB 1.589 70.512 68.868 0.092 0.000 1.034 265 T HN 0.315 nan 8.240 nan 0.000 0.467 266 V N 2.204 122.260 119.914 0.238 0.000 2.487 266 V HA 0.622 5.769 4.120 1.712 0.000 0.298 266 V C -0.825 175.390 176.094 0.203 0.000 1.028 266 V CA -0.682 61.703 62.300 0.142 0.000 0.860 266 V CB 1.382 33.283 31.823 0.131 0.000 0.991 266 V HN 0.958 nan 8.190 nan 0.000 0.427 267 K N 5.033 125.474 120.400 0.069 0.000 2.185 267 K HA 0.626 5.973 4.320 1.712 0.000 0.240 267 K C -1.509 175.025 176.600 -0.110 0.000 0.983 267 K CA -0.544 55.738 56.287 -0.008 0.000 0.873 267 K CB 2.258 34.702 32.500 -0.094 0.000 1.118 267 K HN 0.604 nan 8.250 nan 0.000 0.441 268 F N 1.267 120.902 119.950 -0.526 0.000 2.576 268 F HA 0.553 6.106 4.527 1.711 0.000 0.313 268 F C -1.572 173.662 175.800 -0.943 0.000 1.078 268 F CA -0.714 56.965 58.000 -0.535 0.000 0.921 268 F CB 1.042 39.874 39.000 -0.279 0.000 1.232 268 F HN 0.386 nan 8.300 nan 0.000 0.459 269 F N 3.097 122.274 119.950 -1.289 0.000 2.629 269 F HA 0.784 6.338 4.527 1.711 0.000 0.316 269 F C -1.057 174.047 175.800 -1.159 0.000 1.081 269 F CA -1.192 56.180 58.000 -1.047 0.000 0.954 269 F CB 2.173 40.475 39.000 -1.163 0.000 1.337 269 F HN 0.173 nan 8.300 nan 0.000 0.474 270 V N 2.210 121.875 119.914 -0.415 0.000 2.612 270 V HA 0.467 5.614 4.120 1.712 0.000 0.301 270 V C -1.189 174.948 176.094 0.072 0.000 1.059 270 V CA -0.789 61.330 62.300 -0.301 0.000 0.886 270 V CB 1.816 33.223 31.823 -0.694 0.000 1.007 270 V HN 0.614 nan 8.190 nan 0.000 0.426 271 V N 4.667 124.696 119.914 0.192 0.000 2.483 271 V HA 0.569 5.716 4.120 1.712 0.000 0.295 271 V C -0.035 176.299 176.094 0.400 0.000 1.035 271 V CA -0.460 62.002 62.300 0.271 0.000 0.896 271 V CB 1.912 33.848 31.823 0.188 0.000 0.986 271 V HN 0.921 nan 8.190 nan 0.000 0.447 272 N N 3.880 122.822 118.700 0.403 0.000 2.415 272 N HA 0.115 5.882 4.740 1.712 0.000 0.246 272 N C 1.052 176.611 175.510 0.082 0.000 1.078 272 N CA 0.576 53.788 53.050 0.269 0.000 0.942 272 N CB 1.607 40.241 38.487 0.245 0.000 1.140 272 N HN 0.927 nan 8.380 nan 0.000 0.501 273 T N -0.386 114.200 114.554 0.053 0.000 3.085 273 T HA 0.031 5.408 4.350 1.712 0.000 0.263 273 T C 0.678 175.381 174.700 0.005 0.000 1.127 273 T CA 0.621 62.759 62.100 0.063 0.000 1.103 273 T CB 0.153 69.149 68.868 0.213 0.000 0.921 273 T HN 0.269 nan 8.240 nan 0.000 0.510 274 D N 1.780 122.148 120.400 -0.053 0.000 2.349 274 D HA 0.060 5.727 4.640 1.712 0.000 0.215 274 D C 1.560 177.828 176.300 -0.054 0.000 1.016 274 D CA 0.775 54.739 54.000 -0.061 0.000 0.870 274 D CB 0.246 40.981 40.800 -0.108 0.000 0.917 274 D HN 0.667 nan 8.370 nan 0.000 0.524 275 S N -0.404 115.266 115.700 -0.051 0.000 2.663 275 S HA 0.183 5.680 4.470 1.712 0.000 0.243 275 S C 0.475 175.025 174.600 -0.083 0.000 1.009 275 S CA -0.578 57.599 58.200 -0.037 0.000 0.988 275 S CB 0.423 63.631 63.200 0.014 0.000 0.896 275 S HN -0.130 nan 8.310 nan 0.000 0.502 276 L N 3.591 124.708 121.223 -0.175 0.000 2.467 276 L HA 0.543 5.910 4.340 1.712 0.000 0.270 276 L C 0.592 177.211 176.870 -0.419 0.000 1.205 276 L CA 0.586 55.200 54.840 -0.377 0.000 0.828 276 L CB 0.798 42.444 42.059 -0.688 0.000 1.101 276 L HN 0.580 nan 8.230 nan 0.000 0.479 277 S N -0.934 114.537 115.700 -0.383 0.000 2.541 277 S HA 0.408 5.905 4.470 1.712 0.000 0.271 277 S C 0.061 174.686 174.600 0.042 0.000 1.133 277 S CA -0.140 57.976 58.200 -0.140 0.000 0.876 277 S CB 1.473 64.655 63.200 -0.030 0.000 1.105 277 S HN 0.514 nan 8.310 nan 0.000 0.470 278 S N 1.138 117.007 115.700 0.280 0.000 2.803 278 S HA 0.206 5.703 4.470 1.712 0.000 0.228 278 S C 0.611 175.321 174.600 0.184 0.000 0.953 278 S CA 0.167 58.575 58.200 0.347 0.000 0.983 278 S CB 0.094 63.488 63.200 0.323 0.000 0.784 278 S HN 0.970 nan 8.310 nan 0.000 0.498 279 V N 1.037 121.025 119.914 0.123 0.000 3.426 279 V HA 0.286 5.433 4.120 1.712 0.000 0.279 279 V C 0.209 176.334 176.094 0.052 0.000 1.544 279 V CA 1.055 63.403 62.300 0.080 0.000 1.017 279 V CB 0.866 32.726 31.823 0.061 0.000 0.821 279 V HN 0.747 nan 8.190 nan 0.000 0.432 280 T N -1.088 113.495 114.554 0.049 0.000 2.886 280 T HA 0.480 5.857 4.350 1.712 0.000 0.292 280 T C -0.500 174.221 174.700 0.035 0.000 1.012 280 T CA -0.612 61.501 62.100 0.022 0.000 0.982 280 T CB 1.524 70.397 68.868 0.009 0.000 1.018 280 T HN 0.079 nan 8.240 nan 0.000 0.451 281 N N 1.873 120.580 118.700 0.012 0.000 2.353 281 N HA 0.304 6.071 4.740 1.712 0.000 0.248 281 N C 0.412 175.954 175.510 0.055 0.000 1.240 281 N CA 0.122 53.201 53.050 0.049 0.000 0.862 281 N CB 0.515 38.951 38.487 -0.085 0.000 1.086 281 N HN 1.020 nan 8.380 nan 0.000 0.453 282 A N 1.572 124.449 122.820 0.094 0.000 2.492 282 A HA 0.128 5.475 4.320 1.712 0.000 0.254 282 A C 0.729 178.350 177.584 0.060 0.000 1.091 282 A CA -0.088 51.980 52.037 0.051 0.000 0.768 282 A CB -0.160 18.861 19.000 0.035 0.000 1.028 282 A HN 0.555 nan 8.150 nan 0.000 0.498 283 T N 2.595 117.189 114.554 0.066 0.000 2.747 283 T HA 0.415 5.792 4.350 1.712 0.000 0.301 283 T C 0.048 174.823 174.700 0.126 0.000 0.952 283 T CA -0.332 61.818 62.100 0.085 0.000 0.983 283 T CB -0.474 68.445 68.868 0.085 0.000 0.930 283 T HN 0.495 nan 8.240 nan 0.000 0.494 284 S N 6.282 122.052 115.700 0.117 0.000 2.452 284 S HA 0.417 5.914 4.470 1.712 0.000 0.284 284 S C 0.184 174.931 174.600 0.244 0.000 1.171 284 S CA -0.848 57.447 58.200 0.158 0.000 1.064 284 S CB 0.235 63.468 63.200 0.055 0.000 0.967 284 S HN 0.653 nan 8.310 nan 0.000 0.484 285 I N 3.704 124.428 120.570 0.256 0.000 2.291 285 I HA 0.195 5.391 4.170 1.712 0.000 0.292 285 I C 0.704 176.925 176.117 0.174 0.000 1.064 285 I CA -0.168 61.290 61.300 0.264 0.000 1.269 285 I CB 0.264 38.497 38.000 0.390 0.000 1.418 285 I HN 0.702 nan 8.210 nan 0.000 0.485 286 Q N 6.279 126.163 119.800 0.141 0.000 2.352 286 Q HA 0.365 5.731 4.340 1.712 0.000 0.260 286 Q C -0.950 175.001 176.000 -0.082 0.000 0.976 286 Q CA -0.137 55.567 55.803 -0.165 0.000 0.881 286 Q CB 1.021 29.590 28.738 -0.282 0.000 1.235 286 Q HN 0.551 nan 8.270 nan 0.000 0.419 287 I N 3.742 124.253 120.570 -0.097 0.000 2.339 287 I HA 0.218 5.414 4.170 1.712 0.000 0.290 287 I C 0.196 176.286 176.117 -0.045 0.000 0.994 287 I CA -0.717 60.583 61.300 0.001 0.000 1.191 287 I CB 1.742 39.785 38.000 0.071 0.000 1.343 287 I HN 0.699 nan 8.210 nan 0.000 0.458 288 T N 3.010 117.499 114.554 -0.109 0.000 2.913 288 T HA 0.659 6.036 4.350 1.712 0.000 0.287 288 T C 0.256 174.715 174.700 -0.402 0.000 1.008 288 T CA -0.865 61.104 62.100 -0.219 0.000 1.067 288 T CB 1.581 70.329 68.868 -0.199 0.000 0.996 288 T HN 0.614 nan 8.240 nan 0.000 0.513 289 A N 3.893 126.231 122.820 -0.802 0.000 2.445 289 A HA 0.548 5.894 4.320 1.712 0.000 0.242 289 A C -1.773 175.306 177.584 -0.841 0.000 1.075 289 A CA -1.476 49.663 52.037 -1.497 0.000 0.777 289 A CB -0.678 16.975 19.000 -2.245 0.000 1.013 289 A HN 0.805 nan 8.150 nan 0.000 0.493 290 P HA 0.086 nan 4.420 nan 0.000 0.270 290 P C 0.884 177.985 177.300 -0.331 0.000 1.227 290 P CA 0.619 63.489 63.100 -0.383 0.000 0.788 290 P CB 0.591 32.133 31.700 -0.264 0.000 0.926 291 A N 2.461 125.155 122.820 -0.210 0.000 1.892 291 A HA -0.227 5.119 4.320 1.712 0.000 0.218 291 A C 2.225 179.718 177.584 -0.152 0.000 1.188 291 A CA 2.724 54.662 52.037 -0.165 0.000 0.631 291 A CB -1.935 16.998 19.000 -0.111 0.000 0.822 291 A HN 0.677 nan 8.150 nan 0.000 0.447 292 S N -1.184 114.447 115.700 -0.114 0.000 2.469 292 S HA -0.087 5.410 4.470 1.712 0.000 0.238 292 S C 1.640 176.188 174.600 -0.088 0.000 0.998 292 S CA 1.550 59.704 58.200 -0.075 0.000 0.957 292 S CB -0.283 62.932 63.200 0.025 0.000 0.764 292 S HN 0.451 nan 8.310 nan 0.000 0.514 293 M N 0.442 119.931 119.600 -0.184 0.000 2.545 293 M HA 0.358 5.864 4.480 1.712 0.000 0.264 293 M C 1.823 177.950 176.300 -0.288 0.000 1.155 293 M CA 0.621 55.773 55.300 -0.247 0.000 1.162 293 M CB -0.883 31.434 32.600 -0.472 0.000 1.330 293 M HN 0.319 nan 8.290 nan 0.000 0.479 294 L N -0.238 120.788 121.223 -0.328 0.000 2.376 294 L HA -0.087 5.279 4.340 1.712 0.000 0.219 294 L C 2.147 178.982 176.870 -0.057 0.000 1.133 294 L CA 0.281 55.007 54.840 -0.191 0.000 0.816 294 L CB -0.462 41.468 42.059 -0.213 0.000 0.933 294 L HN 0.149 nan 8.230 nan 0.000 0.449 295 I N -0.363 120.164 120.570 -0.071 0.000 3.001 295 I HA 0.015 5.212 4.170 1.712 0.000 0.268 295 I C 1.078 177.184 176.117 -0.020 0.000 1.267 295 I CA 0.396 61.667 61.300 -0.048 0.000 1.472 295 I CB -0.152 37.808 38.000 -0.067 0.000 1.089 295 I HN 0.136 nan 8.210 nan 0.000 0.468 296 G N -1.580 107.230 108.800 0.016 0.000 2.706 296 G HA2 0.250 5.237 3.960 1.712 0.000 0.307 296 G HA3 0.250 5.237 3.960 1.712 0.000 0.307 296 G C -1.598 173.337 174.900 0.058 0.000 1.307 296 G CA -0.648 44.464 45.100 0.020 0.000 0.790 296 G HN -0.138 nan 8.290 nan 0.000 0.503 297 D N 1.267 121.650 120.400 -0.028 0.000 2.390 297 D HA 0.399 6.066 4.640 1.712 0.000 0.249 297 D C 0.372 176.566 176.300 -0.177 0.000 1.144 297 D CA 0.468 54.380 54.000 -0.147 0.000 0.880 297 D CB 0.472 41.168 40.800 -0.174 0.000 1.182 297 D HN 0.500 nan 8.370 nan 0.000 0.451 298 H N -0.225 118.716 119.070 -0.215 0.000 2.931 298 H HA 0.518 6.101 4.556 1.711 0.000 0.331 298 H C -1.177 174.007 175.328 -0.240 0.000 1.273 298 H CA -0.815 55.121 56.048 -0.186 0.000 1.171 298 H CB 0.579 30.364 29.762 0.037 0.000 1.898 298 H HN 0.262 nan 8.280 nan 0.000 0.562 299 Y N -0.123 120.447 120.300 0.449 0.000 2.545 299 Y HA 0.340 5.918 4.550 1.713 0.000 0.348 299 Y C -0.420 175.743 175.900 0.438 0.000 1.002 299 Y CA -1.185 57.157 58.100 0.404 0.000 1.039 299 Y CB 1.991 40.510 38.460 0.099 0.000 1.271 299 Y HN 0.449 nan 8.280 nan 0.000 0.467 300 L N 3.251 124.744 121.223 0.450 0.000 2.261 300 L HA 0.356 5.723 4.340 1.712 0.000 0.289 300 L C 0.508 177.364 176.870 -0.024 0.000 1.059 300 L CA -0.305 54.391 54.840 -0.239 0.000 0.816 300 L CB 0.229 42.017 42.059 -0.451 0.000 1.191 300 L HN 0.987 nan 8.230 nan 0.000 0.431 301 C N 1.448 120.644 119.300 -0.174 0.000 3.019 301 C HA 0.517 6.004 4.460 1.712 0.000 0.295 301 C C 0.253 175.178 174.990 -0.108 0.000 1.256 301 C CA -0.121 58.776 59.018 -0.201 0.000 1.706 301 C CB -0.356 27.316 27.740 -0.113 0.000 2.153 301 C HN 0.832 nan 8.230 nan 0.000 0.618 302 D N 0.054 120.390 120.400 -0.106 0.000 2.886 302 D HA 0.519 6.185 4.640 1.712 0.000 0.216 302 D C -1.530 174.544 176.300 -0.377 0.000 1.256 302 D CA -0.053 53.907 54.000 -0.065 0.000 0.844 302 D CB 2.359 43.097 40.800 -0.102 0.000 1.669 302 D HN 0.063 nan 8.370 nan 0.000 0.513 303 V N 2.820 122.421 119.914 -0.521 0.000 2.444 303 V HA 0.707 5.854 4.120 1.712 0.000 0.294 303 V C -0.386 175.309 176.094 -0.666 0.000 1.022 303 V CA -0.413 61.304 62.300 -0.971 0.000 0.850 303 V CB 1.926 32.558 31.823 -1.984 0.000 0.992 303 V HN 0.699 nan 8.190 nan 0.000 0.426 304 T N 3.308 117.549 114.554 -0.522 0.000 3.109 304 T HA 0.332 5.709 4.350 1.712 0.000 0.311 304 T C -0.938 173.607 174.700 -0.258 0.000 1.011 304 T CA -0.528 61.437 62.100 -0.225 0.000 1.026 304 T CB 0.780 69.605 68.868 -0.072 0.000 1.047 304 T HN 0.518 nan 8.240 nan 0.000 0.448 305 W N 1.984 123.234 121.300 -0.084 0.000 2.216 305 W HA 0.487 6.174 4.660 1.711 0.000 0.326 305 W C 1.173 177.572 176.519 -0.200 0.000 1.319 305 W CA -0.366 56.918 57.345 -0.102 0.000 1.213 305 W CB 0.586 30.068 29.460 0.037 0.000 1.171 305 W HN 0.864 nan 8.180 nan 0.000 0.557 306 A N 1.942 124.659 122.820 -0.171 0.000 1.920 306 A HA 0.201 5.548 4.320 1.712 0.000 0.209 306 A C 0.888 178.464 177.584 -0.013 0.000 1.229 306 A CA 1.526 53.266 52.037 -0.497 0.000 0.671 306 A CB -0.367 17.885 19.000 -1.247 0.000 0.886 306 A HN 0.539 nan 8.150 nan 0.000 0.461 307 T N -5.520 109.118 114.554 0.139 0.000 2.654 307 T HA 0.345 5.721 4.350 1.712 0.000 0.289 307 T C 0.137 174.990 174.700 0.254 0.000 1.062 307 T CA -0.372 61.837 62.100 0.182 0.000 1.041 307 T CB 0.622 69.584 68.868 0.156 0.000 1.417 307 T HN -0.029 nan 8.240 nan 0.000 0.510 308 Q N 0.339 120.255 119.800 0.193 0.000 2.291 308 Q HA 0.008 5.375 4.340 1.712 0.000 0.206 308 Q C 0.790 177.029 176.000 0.399 0.000 0.976 308 Q CA 1.471 57.387 55.803 0.189 0.000 0.875 308 Q CB -0.174 28.642 28.738 0.131 0.000 0.927 308 Q HN 0.825 nan 8.270 nan 0.000 0.450 309 E N -0.155 120.294 120.200 0.415 0.000 2.876 309 E HA 0.210 5.587 4.350 1.712 0.000 0.208 309 E C -0.323 176.558 176.600 0.469 0.000 0.981 309 E CA -0.170 56.498 56.400 0.447 0.000 1.174 309 E CB 0.969 30.844 29.700 0.291 0.000 1.047 309 E HN -0.015 nan 8.360 nan 0.000 0.477 310 R N 1.538 122.368 120.500 0.550 0.000 2.522 310 R HA 0.489 5.856 4.340 1.712 0.000 0.283 310 R C -1.935 174.450 176.300 0.141 0.000 1.074 310 R CA -0.477 55.820 56.100 0.328 0.000 0.925 310 R CB 1.338 31.704 30.300 0.110 0.000 1.205 310 R HN 0.114 nan 8.270 nan 0.000 0.436 311 I N 3.279 123.760 120.570 -0.149 0.000 2.545 311 I HA 0.423 5.620 4.170 1.712 0.000 0.292 311 I C -0.923 174.904 176.117 -0.483 0.000 1.040 311 I CA -0.491 60.444 61.300 -0.608 0.000 1.068 311 I CB 2.223 39.429 38.000 -1.323 0.000 1.251 311 I HN 0.834 nan 8.210 nan 0.000 0.424 312 S N 7.528 122.935 115.700 -0.489 0.000 2.462 312 S HA 0.698 6.195 4.470 1.712 0.000 0.294 312 S C -0.934 173.392 174.600 -0.457 0.000 1.144 312 S CA -0.683 57.311 58.200 -0.343 0.000 1.088 312 S CB 1.550 64.672 63.200 -0.130 0.000 1.009 312 S HN 0.485 nan 8.310 nan 0.000 0.484 313 L N 2.520 123.494 121.223 -0.414 0.000 2.346 313 L HA 0.537 5.904 4.340 1.712 0.000 0.274 313 L C -0.183 176.469 176.870 -0.364 0.000 1.007 313 L CA -0.095 54.421 54.840 -0.539 0.000 0.818 313 L CB 1.933 43.655 42.059 -0.561 0.000 1.284 313 L HN 0.813 nan 8.230 nan 0.000 0.424 314 Q N 2.287 121.813 119.800 -0.456 0.000 2.325 314 Q HA 0.395 5.762 4.340 1.712 0.000 0.270 314 Q C -1.707 174.099 176.000 -0.323 0.000 1.020 314 Q CA -0.440 55.204 55.803 -0.264 0.000 0.785 314 Q CB 1.874 30.491 28.738 -0.202 0.000 1.259 314 Q HN 0.484 nan 8.270 nan 0.000 0.452 315 W N 2.627 123.873 121.300 -0.090 0.000 2.627 315 W HA 0.646 6.333 4.660 1.713 0.000 0.339 315 W C -0.634 175.909 176.519 0.039 0.000 1.058 315 W CA -0.508 56.829 57.345 -0.013 0.000 1.223 315 W CB 1.279 30.700 29.460 -0.065 0.000 1.389 315 W HN 0.317 nan 8.180 nan 0.000 0.541 316 L N 2.857 124.307 121.223 0.378 0.000 2.408 316 L HA 0.538 5.905 4.340 1.712 0.000 0.268 316 L C 0.077 177.151 176.870 0.339 0.000 0.986 316 L CA -1.188 53.837 54.840 0.309 0.000 0.820 316 L CB 1.722 43.953 42.059 0.287 0.000 1.303 316 L HN 0.426 nan 8.230 nan 0.000 0.411 317 R N 2.331 122.993 120.500 0.271 0.000 2.594 317 R HA 0.174 5.541 4.340 1.712 0.000 0.272 317 R C 1.012 177.394 176.300 0.136 0.000 1.074 317 R CA -0.315 55.895 56.100 0.184 0.000 1.105 317 R CB 0.984 31.384 30.300 0.167 0.000 1.008 317 R HN 0.640 nan 8.270 nan 0.000 0.472 318 R N 1.489 121.964 120.500 -0.042 0.000 2.113 318 R HA -0.159 5.208 4.340 1.712 0.000 0.244 318 R C 0.312 176.679 176.300 0.112 0.000 1.142 318 R CA 1.540 57.606 56.100 -0.056 0.000 0.953 318 R CB -0.163 30.044 30.300 -0.155 0.000 0.860 318 R HN 0.385 nan 8.270 nan 0.000 0.438 319 I N 2.429 123.045 120.570 0.076 0.000 2.460 319 I HA -0.035 5.162 4.170 1.712 0.000 0.297 319 I C 0.536 176.728 176.117 0.126 0.000 1.139 319 I CA 0.712 62.065 61.300 0.087 0.000 1.340 319 I CB 0.865 38.904 38.000 0.065 0.000 1.444 319 I HN 0.088 nan 8.210 nan 0.000 0.557 320 Q N 4.797 124.671 119.800 0.123 0.000 2.516 320 Q HA -0.023 5.344 4.340 1.712 0.000 0.245 320 Q C 0.657 176.758 176.000 0.170 0.000 0.958 320 Q CA 0.010 55.899 55.803 0.144 0.000 0.959 320 Q CB -0.380 28.395 28.738 0.063 0.000 1.403 320 Q HN 0.661 nan 8.270 nan 0.000 0.405 321 N N -0.954 117.855 118.700 0.182 0.000 2.184 321 N HA -0.050 5.717 4.740 1.712 0.000 0.206 321 N C -0.979 174.662 175.510 0.219 0.000 1.151 321 N CA -0.112 53.048 53.050 0.184 0.000 0.878 321 N CB 0.401 38.986 38.487 0.163 0.000 1.014 321 N HN 0.191 nan 8.380 nan 0.000 0.512 322 Y N 1.410 121.754 120.300 0.074 0.000 2.331 322 Y HA 0.528 6.104 4.550 1.712 0.000 0.326 322 Y C -1.019 174.926 175.900 0.076 0.000 1.020 322 Y CA -1.031 57.106 58.100 0.061 0.000 1.136 322 Y CB 1.523 40.011 38.460 0.046 0.000 1.157 322 Y HN 0.144 nan 8.280 nan 0.000 0.444 323 S N 4.198 119.769 115.700 -0.216 0.000 2.542 323 S HA 0.895 6.392 4.470 1.712 0.000 0.293 323 S C -1.770 172.716 174.600 -0.191 0.000 1.089 323 S CA -0.759 57.388 58.200 -0.088 0.000 0.961 323 S CB 1.901 65.089 63.200 -0.020 0.000 1.062 323 S HN 0.392 nan 8.310 nan 0.000 0.483 324 V N 3.562 123.460 119.914 -0.026 0.000 2.540 324 V HA 0.507 5.654 4.120 1.712 0.000 0.302 324 V C -0.427 175.691 176.094 0.040 0.000 1.035 324 V CA -0.672 61.617 62.300 -0.017 0.000 0.873 324 V CB 1.830 33.666 31.823 0.022 0.000 0.992 324 V HN 1.031 nan 8.190 nan 0.000 0.428 325 M N 4.323 123.923 119.600 0.000 0.000 2.055 325 M HA 0.438 5.944 4.480 1.712 0.000 0.347 325 M C -1.079 175.231 176.300 0.017 0.000 1.123 325 M CA -0.414 54.866 55.300 -0.033 0.000 1.035 325 M CB 0.543 33.056 32.600 -0.144 0.000 1.484 325 M HN 0.566 nan 8.290 nan 0.000 0.428 326 D N 5.470 125.882 120.400 0.020 0.000 2.256 326 D HA 0.425 6.092 4.640 1.712 0.000 0.250 326 D C -0.679 175.597 176.300 -0.041 0.000 1.093 326 D CA 0.113 54.117 54.000 0.007 0.000 0.882 326 D CB 1.409 42.214 40.800 0.008 0.000 1.185 326 D HN 0.605 nan 8.370 nan 0.000 0.437 327 I N 2.588 123.160 120.570 0.004 0.000 2.362 327 I HA 0.262 5.459 4.170 1.712 0.000 0.289 327 I C -0.510 175.613 176.117 0.010 0.000 0.994 327 I CA -0.540 60.755 61.300 -0.009 0.000 1.158 327 I CB 1.165 39.213 38.000 0.081 0.000 1.315 327 I HN 0.203 nan 8.210 nan 0.000 0.451 328 c N 3.909 122.508 118.600 -0.002 0.000 2.340 328 c HA 0.484 6.080 4.570 1.712 0.000 0.323 328 c C -0.364 173.873 174.090 0.245 0.000 1.260 328 c CA -0.999 55.393 56.329 0.105 0.000 1.464 328 c CB 0.487 43.060 42.510 0.105 0.000 2.156 328 c HN 0.581 nan 8.230 nan 0.000 0.476 329 D N 0.845 121.349 120.400 0.174 0.000 2.225 329 D HA 0.276 5.943 4.640 1.712 0.000 0.249 329 D C -0.482 175.780 176.300 -0.064 0.000 1.052 329 D CA -0.098 53.969 54.000 0.111 0.000 0.909 329 D CB 0.741 41.565 40.800 0.039 0.000 1.186 329 D HN 0.620 nan 8.370 nan 0.000 0.431 330 Y N 1.039 120.991 120.300 -0.580 0.000 2.335 330 Y HA 0.199 5.776 4.550 1.712 0.000 0.331 330 Y C -0.247 175.352 175.900 -0.501 0.000 1.094 330 Y CA -0.639 56.778 58.100 -1.138 0.000 1.253 330 Y CB 0.776 38.289 38.460 -1.579 0.000 1.203 330 Y HN 0.261 nan 8.280 nan 0.000 0.508 331 D N 4.761 124.624 120.400 -0.895 0.000 2.280 331 D HA 0.124 5.791 4.640 1.712 0.000 0.243 331 D C 0.708 176.471 176.300 -0.895 0.000 1.129 331 D CA -0.081 53.532 54.000 -0.644 0.000 0.848 331 D CB 0.937 41.509 40.800 -0.380 0.000 1.107 331 D HN 0.768 nan 8.370 nan 0.000 0.471 332 E N 1.513 121.379 120.200 -0.557 0.000 2.077 332 E HA -0.186 5.191 4.350 1.712 0.000 0.193 332 E C 1.700 178.153 176.600 -0.245 0.000 0.989 332 E CA 1.271 57.447 56.400 -0.372 0.000 0.800 332 E CB 0.164 29.795 29.700 -0.115 0.000 0.746 332 E HN 0.627 nan 8.360 nan 0.000 0.452 333 S N -0.210 115.373 115.700 -0.195 0.000 2.377 333 S HA -0.025 5.472 4.470 1.712 0.000 0.223 333 S C 2.219 176.751 174.600 -0.114 0.000 1.030 333 S CA 0.864 58.996 58.200 -0.113 0.000 0.970 333 S CB 0.048 63.200 63.200 -0.081 0.000 0.830 333 S HN -0.019 nan 8.310 nan 0.000 0.473 334 S N 1.357 116.957 115.700 -0.167 0.000 2.351 334 S HA 0.237 5.733 4.470 1.712 0.000 0.220 334 S C 1.686 176.231 174.600 -0.091 0.000 1.035 334 S CA 1.458 59.582 58.200 -0.126 0.000 1.031 334 S CB -1.144 61.963 63.200 -0.155 0.000 0.928 334 S HN 1.358 nan 8.310 nan 0.000 0.433 335 G N 0.962 109.644 108.800 -0.197 0.000 2.131 335 G HA2 -0.197 4.790 3.960 1.712 0.000 0.223 335 G HA3 -0.197 4.790 3.960 1.712 0.000 0.223 335 G C 0.017 174.984 174.900 0.112 0.000 0.990 335 G CA -0.066 45.053 45.100 0.033 0.000 0.671 335 G HN 0.418 nan 8.290 nan 0.000 0.521 336 R N -1.666 118.768 120.500 -0.110 0.000 2.892 336 R HA 0.656 6.023 4.340 1.712 0.000 0.265 336 R C -0.839 175.378 176.300 -0.138 0.000 1.025 336 R CA -0.854 55.263 56.100 0.029 0.000 0.982 336 R CB 1.096 31.424 30.300 0.046 0.000 1.185 336 R HN 0.121 nan 8.270 nan 0.000 0.484 337 W N 0.381 121.708 121.300 0.045 0.000 2.512 337 W HA 0.407 6.094 4.660 1.712 0.000 0.335 337 W C -0.440 176.069 176.519 -0.017 0.000 1.088 337 W CA -0.334 57.026 57.345 0.024 0.000 1.236 337 W CB 1.104 30.571 29.460 0.011 0.000 1.307 337 W HN 0.428 nan 8.180 nan 0.000 0.567 338 N N 1.387 120.189 118.700 0.169 0.000 2.533 338 N HA 0.363 6.130 4.740 1.712 0.000 0.289 338 N C -1.781 173.768 175.510 0.065 0.000 1.103 338 N CA -0.603 52.490 53.050 0.071 0.000 0.877 338 N CB 0.968 39.454 38.487 -0.000 0.000 1.419 338 N HN 0.186 nan 8.380 nan 0.000 0.517 339 c N 2.394 121.020 118.600 0.043 0.000 2.303 339 c HA 0.459 6.056 4.570 1.712 0.000 0.341 339 c C 0.342 174.434 174.090 0.004 0.000 1.244 339 c CA -1.034 55.308 56.329 0.022 0.000 1.765 339 c CB -1.361 41.148 42.510 -0.002 0.000 2.379 339 c HN 0.553 nan 8.230 nan 0.000 0.530 340 L N 3.213 124.442 121.223 0.011 0.000 2.349 340 L HA 0.166 5.533 4.340 1.712 0.000 0.275 340 L C 1.375 178.240 176.870 -0.008 0.000 1.115 340 L CA 0.498 55.338 54.840 0.000 0.000 0.820 340 L CB 0.917 42.980 42.059 0.007 0.000 1.135 340 L HN 0.632 nan 8.230 nan 0.000 0.445 341 V N 2.796 122.697 119.914 -0.022 0.000 2.720 341 V HA -0.253 4.894 4.120 1.712 0.000 0.256 341 V C 2.084 178.155 176.094 -0.038 0.000 1.082 341 V CA 1.767 64.047 62.300 -0.033 0.000 1.101 341 V CB -0.806 30.994 31.823 -0.037 0.000 0.693 341 V HN 0.990 nan 8.190 nan 0.000 0.479 342 A N -0.128 122.675 122.820 -0.028 0.000 2.168 342 A HA -0.064 5.283 4.320 1.712 0.000 0.215 342 A C 2.042 179.604 177.584 -0.035 0.000 1.152 342 A CA 0.858 52.875 52.037 -0.034 0.000 0.716 342 A CB -0.243 18.747 19.000 -0.017 0.000 0.794 342 A HN 0.559 nan 8.150 nan 0.000 0.465 343 R N -0.448 120.049 120.500 -0.005 0.000 2.577 343 R HA 0.174 5.541 4.340 1.712 0.000 0.344 343 R C -0.274 176.070 176.300 0.073 0.000 1.037 343 R CA -0.226 55.911 56.100 0.062 0.000 1.102 343 R CB 0.343 30.718 30.300 0.126 0.000 1.313 343 R HN 0.549 nan 8.270 nan 0.000 0.561 344 Q N 0.774 120.550 119.800 -0.039 0.000 2.394 344 Q HA 0.105 5.472 4.340 1.712 0.000 0.248 344 Q C -0.757 175.146 176.000 -0.162 0.000 0.992 344 Q CA 0.661 56.445 55.803 -0.030 0.000 0.888 344 Q CB 0.873 29.579 28.738 -0.053 0.000 1.257 344 Q HN 0.201 nan 8.270 nan 0.000 0.462 345 H N 0.237 119.295 119.070 -0.020 0.000 2.877 345 H HA 0.414 5.997 4.556 1.712 0.000 0.347 345 H C -0.908 174.371 175.328 -0.081 0.000 1.042 345 H CA -0.392 55.642 56.048 -0.022 0.000 1.276 345 H CB 1.060 30.801 29.762 -0.035 0.000 1.681 345 H HN 0.408 nan 8.280 nan 0.000 0.521 346 I N 1.950 122.524 120.570 0.007 0.000 2.385 346 I HA 0.316 5.513 4.170 1.712 0.000 0.294 346 I C -0.024 176.035 176.117 -0.096 0.000 0.988 346 I CA -0.312 60.902 61.300 -0.143 0.000 1.265 346 I CB 1.524 39.418 38.000 -0.177 0.000 1.388 346 I HN 0.537 nan 8.210 nan 0.000 0.480 347 E N 7.999 128.087 120.200 -0.187 0.000 2.263 347 E HA 0.675 6.052 4.350 1.712 0.000 0.268 347 E C -1.407 175.109 176.600 -0.140 0.000 0.884 347 E CA -0.779 55.566 56.400 -0.092 0.000 0.766 347 E CB 1.706 31.376 29.700 -0.050 0.000 1.196 347 E HN 0.653 nan 8.360 nan 0.000 0.416 348 M N 1.220 120.782 119.600 -0.064 0.000 2.465 348 M HA 0.497 6.004 4.480 1.712 0.000 0.284 348 M C -1.292 175.002 176.300 -0.010 0.000 1.212 348 M CA -0.937 54.351 55.300 -0.020 0.000 0.910 348 M CB 2.119 34.737 32.600 0.030 0.000 1.725 348 M HN 0.259 nan 8.290 nan 0.000 0.477 349 S N -0.087 115.610 115.700 -0.005 0.000 2.578 349 S HA 0.699 6.196 4.470 1.712 0.000 0.301 349 S C 0.557 175.138 174.600 -0.032 0.000 1.091 349 S CA 0.141 58.296 58.200 -0.074 0.000 1.032 349 S CB 1.693 64.814 63.200 -0.132 0.000 1.064 349 S HN 0.892 nan 8.310 nan 0.000 0.508 350 T N -0.624 113.884 114.554 -0.077 0.000 3.015 350 T HA 0.056 5.433 4.350 1.712 0.000 0.250 350 T C 1.482 176.151 174.700 -0.051 0.000 1.057 350 T CA 0.762 62.840 62.100 -0.038 0.000 1.066 350 T CB -0.613 68.234 68.868 -0.036 0.000 0.959 350 T HN 0.688 nan 8.240 nan 0.000 0.488 351 T N -1.313 113.151 114.554 -0.150 0.000 3.129 351 T HA 0.597 5.974 4.350 1.712 0.000 0.251 351 T C 1.197 175.936 174.700 0.065 0.000 1.117 351 T CA 0.322 62.332 62.100 -0.149 0.000 1.034 351 T CB 0.190 68.854 68.868 -0.340 0.000 0.968 351 T HN 0.707 nan 8.240 nan 0.000 0.526 352 G N 0.891 109.781 108.800 0.150 0.000 2.601 352 G HA2 0.357 5.344 3.960 1.712 0.000 0.080 352 G HA3 0.357 5.344 3.960 1.712 0.000 0.080 352 G C -1.676 173.414 174.900 0.317 0.000 1.046 352 G CA -0.475 44.861 45.100 0.394 0.000 1.143 352 G HN 0.549 nan 8.290 nan 0.000 0.507 353 W N 0.638 122.029 121.300 0.152 0.000 2.359 353 W HA 0.778 6.464 4.660 1.711 0.000 0.344 353 W C 0.196 176.773 176.519 0.097 0.000 1.170 353 W CA -1.111 56.250 57.345 0.027 0.000 1.296 353 W CB 1.157 30.515 29.460 -0.171 0.000 1.197 353 W HN 0.567 nan 8.180 nan 0.000 0.618 354 V N 4.473 124.484 119.914 0.162 0.000 2.649 354 V HA 0.707 5.854 4.120 1.712 0.000 0.292 354 V C 0.603 176.753 176.094 0.094 0.000 1.055 354 V CA 0.635 62.969 62.300 0.057 0.000 1.023 354 V CB 0.163 32.021 31.823 0.057 0.000 0.992 354 V HN 1.722 nan 8.190 nan 0.000 0.480 355 G N 5.987 114.800 108.800 0.021 0.000 2.819 355 G HA2 -0.204 4.783 3.960 1.712 0.000 0.682 355 G HA3 -0.204 4.783 3.960 1.712 0.000 0.682 355 G C 0.337 175.289 174.900 0.087 0.000 1.481 355 G CA 0.263 45.404 45.100 0.069 0.000 0.904 355 G HN 0.958 nan 8.290 nan 0.000 0.563 356 R N -0.075 120.485 120.500 0.101 0.000 2.088 356 R HA -0.065 5.302 4.340 1.712 0.000 0.232 356 R C 2.140 178.485 176.300 0.076 0.000 1.136 356 R CA 2.457 58.590 56.100 0.055 0.000 0.926 356 R CB -0.234 30.123 30.300 0.096 0.000 0.837 356 R HN 0.547 nan 8.270 nan 0.000 0.429 357 F N -0.946 119.148 119.950 0.240 0.000 2.711 357 F HA 0.226 5.780 4.527 1.712 0.000 0.296 357 F C 0.962 176.818 175.800 0.094 0.000 1.096 357 F CA -0.393 57.717 58.000 0.182 0.000 1.280 357 F CB 0.587 39.683 39.000 0.159 0.000 1.060 357 F HN -0.022 nan 8.300 nan 0.000 0.608 358 R N -0.525 120.137 120.500 0.271 0.000 2.733 358 R HA 0.463 5.830 4.340 1.712 0.000 0.272 358 R C -3.318 173.052 176.300 0.116 0.000 1.029 358 R CA -1.958 54.221 56.100 0.132 0.000 0.888 358 R CB 0.389 30.717 30.300 0.046 0.000 1.251 358 R HN -0.345 nan 8.270 nan 0.000 0.464 359 P HA -0.012 nan 4.420 nan 0.000 0.265 359 P C -0.295 177.033 177.300 0.047 0.000 1.193 359 P CA 0.105 63.229 63.100 0.040 0.000 0.765 359 P CB 0.917 32.614 31.700 -0.005 0.000 0.823 360 S N 2.149 117.887 115.700 0.063 0.000 2.576 360 S HA 0.054 5.551 4.470 1.712 0.000 0.272 360 S C 0.238 174.860 174.600 0.035 0.000 1.352 360 S CA -0.577 57.677 58.200 0.090 0.000 1.021 360 S CB 0.019 63.294 63.200 0.125 0.000 0.887 360 S HN 0.471 nan 8.310 nan 0.000 0.542 361 E N 3.454 123.685 120.200 0.052 0.000 2.319 361 E HA 0.433 5.810 4.350 1.712 0.000 0.268 361 E C -2.851 173.708 176.600 -0.067 0.000 1.050 361 E CA -2.179 54.197 56.400 -0.041 0.000 0.878 361 E CB 0.474 30.144 29.700 -0.050 0.000 1.066 361 E HN 0.330 nan 8.360 nan 0.000 0.406 362 P HA 0.256 nan 4.420 nan 0.000 0.286 362 P C -0.812 176.370 177.300 -0.197 0.000 1.261 362 P CA -0.297 62.655 63.100 -0.246 0.000 0.821 362 P CB 0.644 31.825 31.700 -0.866 0.000 1.013 363 H N 1.929 121.023 119.070 0.040 0.000 2.595 363 H HA 0.302 5.884 4.556 1.711 0.000 0.313 363 H C -0.390 175.051 175.328 0.187 0.000 1.023 363 H CA -0.317 55.838 56.048 0.178 0.000 1.218 363 H CB 0.436 30.328 29.762 0.216 0.000 1.403 363 H HN 0.321 nan 8.280 nan 0.000 0.477 364 F N 1.892 122.039 119.950 0.328 0.000 2.384 364 F HA 0.063 5.617 4.527 1.711 0.000 0.338 364 F C 1.387 177.378 175.800 0.318 0.000 1.103 364 F CA -0.576 57.617 58.000 0.322 0.000 1.157 364 F CB 1.072 40.201 39.000 0.215 0.000 1.167 364 F HN 0.394 nan 8.300 nan 0.000 0.529 365 T N 1.165 116.015 114.554 0.492 0.000 2.903 365 T HA 0.030 5.407 4.350 1.712 0.000 0.314 365 T C 1.201 176.095 174.700 0.323 0.000 1.078 365 T CA -0.782 61.545 62.100 0.377 0.000 1.114 365 T CB 0.689 69.756 68.868 0.332 0.000 0.987 365 T HN 0.634 nan 8.240 nan 0.000 0.548 366 L N 1.510 122.879 121.223 0.243 0.000 2.151 366 L HA -0.194 5.173 4.340 1.712 0.000 0.215 366 L C 1.772 178.753 176.870 0.185 0.000 1.084 366 L CA 2.465 57.423 54.840 0.196 0.000 0.764 366 L CB -0.920 41.229 42.059 0.151 0.000 0.891 366 L HN 0.942 nan 8.230 nan 0.000 0.435 367 D N -2.156 118.359 120.400 0.191 0.000 2.350 367 D HA 0.175 5.842 4.640 1.712 0.000 0.213 367 D C 1.541 177.955 176.300 0.189 0.000 1.031 367 D CA 0.610 54.711 54.000 0.167 0.000 0.861 367 D CB -0.342 40.545 40.800 0.146 0.000 0.926 367 D HN 0.325 nan 8.370 nan 0.000 0.520 368 G N 0.784 109.740 108.800 0.259 0.000 2.203 368 G HA2 -0.352 4.635 3.960 1.712 0.000 0.263 368 G HA3 -0.352 4.635 3.960 1.712 0.000 0.263 368 G C 0.715 175.816 174.900 0.335 0.000 1.012 368 G CA 0.475 45.755 45.100 0.300 0.000 0.749 368 G HN 0.349 nan 8.290 nan 0.000 0.512 369 N N -0.339 118.536 118.700 0.293 0.000 2.280 369 N HA 0.255 6.022 4.740 1.712 0.000 0.192 369 N C 0.458 176.097 175.510 0.216 0.000 1.109 369 N CA 0.958 54.145 53.050 0.229 0.000 0.855 369 N CB 0.877 39.455 38.487 0.152 0.000 0.974 369 N HN 0.392 nan 8.380 nan 0.000 0.482 370 S N -0.268 115.604 115.700 0.287 0.000 2.537 370 S HA 0.650 6.147 4.470 1.712 0.000 0.271 370 S C -1.942 172.752 174.600 0.156 0.000 1.148 370 S CA -0.806 57.453 58.200 0.097 0.000 0.868 370 S CB 0.680 63.944 63.200 0.106 0.000 1.115 370 S HN 0.145 nan 8.310 nan 0.000 0.461 371 F N 0.840 120.645 119.950 -0.242 0.000 2.631 371 F HA 0.793 6.346 4.527 1.711 0.000 0.308 371 F C -1.946 173.673 175.800 -0.301 0.000 1.097 371 F CA -1.201 56.565 58.000 -0.389 0.000 0.952 371 F CB 0.605 38.953 39.000 -1.087 0.000 1.307 371 F HN 0.471 nan 8.300 nan 0.000 0.450 372 Y N 1.206 121.645 120.300 0.231 0.000 2.420 372 Y HA 0.701 6.278 4.550 1.712 0.000 0.334 372 Y C -0.185 175.882 175.900 0.278 0.000 1.094 372 Y CA -0.804 57.427 58.100 0.217 0.000 1.126 372 Y CB 2.152 40.688 38.460 0.127 0.000 1.217 372 Y HN 0.751 nan 8.280 nan 0.000 0.462 373 K N 2.226 122.862 120.400 0.393 0.000 2.557 373 K HA 0.497 5.844 4.320 1.712 0.000 0.257 373 K C -1.916 174.844 176.600 0.268 0.000 0.933 373 K CA -0.527 55.944 56.287 0.307 0.000 0.820 373 K CB 1.319 33.954 32.500 0.225 0.000 1.330 373 K HN 0.683 nan 8.250 nan 0.000 0.432 374 I N 6.536 127.238 120.570 0.220 0.000 2.363 374 I HA 0.240 5.437 4.170 1.712 0.000 0.292 374 I C 0.155 176.386 176.117 0.190 0.000 1.075 374 I CA -0.161 61.251 61.300 0.186 0.000 1.333 374 I CB 0.040 38.131 38.000 0.153 0.000 1.415 374 I HN 0.452 nan 8.210 nan 0.000 0.502 375 I N 2.310 123.035 120.570 0.258 0.000 2.934 375 I HA 0.596 5.793 4.170 1.712 0.000 0.306 375 I C -0.116 176.148 176.117 0.245 0.000 1.110 375 I CA -0.823 60.623 61.300 0.245 0.000 1.019 375 I CB 2.282 40.457 38.000 0.293 0.000 1.227 375 I HN 0.405 nan 8.210 nan 0.000 0.434 376 S N 2.998 118.763 115.700 0.108 0.000 2.481 376 S HA 0.209 5.706 4.470 1.712 0.000 0.276 376 S C 0.010 174.594 174.600 -0.026 0.000 1.247 376 S CA -0.831 57.358 58.200 -0.017 0.000 1.053 376 S CB -0.115 63.017 63.200 -0.114 0.000 0.925 376 S HN 0.801 nan 8.310 nan 0.000 0.491 377 N N 2.272 120.797 118.700 -0.292 0.000 2.288 377 N HA 0.006 5.773 4.740 1.712 0.000 0.237 377 N C 0.476 175.825 175.510 -0.268 0.000 1.311 377 N CA -0.442 52.214 53.050 -0.656 0.000 0.909 377 N CB -0.022 37.828 38.487 -1.061 0.000 1.167 377 N HN 0.706 nan 8.380 nan 0.000 0.476 378 E N -1.237 118.828 120.200 -0.225 0.000 2.409 378 E HA -0.170 5.207 4.350 1.712 0.000 0.198 378 E C 0.333 176.862 176.600 -0.120 0.000 1.024 378 E CA 0.699 57.028 56.400 -0.118 0.000 0.861 378 E CB -0.078 29.578 29.700 -0.072 0.000 0.788 378 E HN 0.728 nan 8.360 nan 0.000 0.521 379 E N -0.447 119.676 120.200 -0.127 0.000 2.444 379 E HA 0.051 5.428 4.350 1.712 0.000 0.191 379 E C 0.822 177.420 176.600 -0.005 0.000 1.041 379 E CA 0.331 56.707 56.400 -0.040 0.000 0.883 379 E CB 0.234 29.922 29.700 -0.020 0.000 1.024 379 E HN 0.305 nan 8.360 nan 0.000 0.470 380 G N 0.347 109.068 108.800 -0.131 0.000 2.176 380 G HA2 -0.302 4.685 3.960 1.712 0.000 0.253 380 G HA3 -0.302 4.685 3.960 1.712 0.000 0.253 380 G C -0.336 174.334 174.900 -0.384 0.000 0.979 380 G CA 0.278 45.211 45.100 -0.278 0.000 0.641 380 G HN 0.276 nan 8.290 nan 0.000 0.530 381 Y N 0.474 120.648 120.300 -0.211 0.000 2.320 381 Y HA 0.623 6.200 4.550 1.711 0.000 0.334 381 Y C 1.163 176.899 175.900 -0.273 0.000 1.055 381 Y CA -0.831 57.132 58.100 -0.229 0.000 1.143 381 Y CB 0.941 39.282 38.460 -0.198 0.000 1.193 381 Y HN 0.089 nan 8.280 nan 0.000 0.477 382 R N 3.931 124.304 120.500 -0.213 0.000 2.343 382 R HA 0.150 5.517 4.340 1.712 0.000 0.326 382 R C -0.712 175.328 176.300 -0.433 0.000 1.055 382 R CA 0.305 56.285 56.100 -0.201 0.000 0.961 382 R CB -0.166 30.065 30.300 -0.114 0.000 0.978 382 R HN 0.664 nan 8.270 nan 0.000 0.443 383 H N 2.284 121.313 119.070 -0.067 0.000 2.907 383 H HA 0.311 5.895 4.556 1.712 0.000 0.361 383 H C -0.153 175.240 175.328 0.107 0.000 1.194 383 H CA -0.981 55.013 56.048 -0.089 0.000 1.152 383 H CB 1.556 31.154 29.762 -0.272 0.000 1.867 383 H HN 0.334 nan 8.280 nan 0.000 0.561 384 I N 1.480 122.142 120.570 0.152 0.000 2.379 384 I HA 0.018 5.215 4.170 1.712 0.000 0.290 384 I C 0.504 176.719 176.117 0.162 0.000 1.063 384 I CA 0.161 61.534 61.300 0.121 0.000 1.351 384 I CB 0.150 38.121 38.000 -0.049 0.000 1.410 384 I HN 0.149 nan 8.210 nan 0.000 0.505 385 c N 6.813 125.483 118.600 0.117 0.000 2.366 385 c HA 0.336 5.933 4.570 1.712 0.000 0.345 385 c C -0.200 173.819 174.090 -0.119 0.000 1.209 385 c CA -0.560 55.609 56.329 -0.266 0.000 2.050 385 c CB 0.690 42.768 42.510 -0.719 0.000 2.359 385 c HN 0.719 nan 8.230 nan 0.000 0.527 386 Y N 4.271 124.272 120.300 -0.497 0.000 2.417 386 Y HA 0.543 6.120 4.550 1.711 0.000 0.336 386 Y C -0.890 174.581 175.900 -0.716 0.000 0.961 386 Y CA -0.705 57.054 58.100 -0.569 0.000 1.215 386 Y CB 0.164 38.395 38.460 -0.381 0.000 1.120 386 Y HN 0.661 nan 8.280 nan 0.000 0.499 387 F N 4.492 123.798 119.950 -1.073 0.000 2.404 387 F HA 0.340 5.894 4.527 1.711 0.000 0.339 387 F C 0.029 175.084 175.800 -1.242 0.000 1.105 387 F CA -0.555 56.707 58.000 -1.230 0.000 1.087 387 F CB 1.241 39.114 39.000 -1.878 0.000 1.143 387 F HN 0.373 nan 8.300 nan 0.000 0.491 388 Q N 3.450 122.871 119.800 -0.632 0.000 2.241 388 Q HA 0.204 5.570 4.340 1.712 0.000 0.254 388 Q C 1.103 177.053 176.000 -0.082 0.000 0.917 388 Q CA -0.492 55.075 55.803 -0.392 0.000 0.919 388 Q CB 2.385 30.939 28.738 -0.307 0.000 1.237 388 Q HN 0.767 nan 8.270 nan 0.000 0.434 389 I N 1.996 122.598 120.570 0.054 0.000 2.315 389 I HA -0.329 4.868 4.170 1.712 0.000 0.251 389 I C 0.952 177.239 176.117 0.282 0.000 1.125 389 I CA 1.949 63.416 61.300 0.277 0.000 1.392 389 I CB 0.220 38.383 38.000 0.272 0.000 1.065 389 I HN 0.587 nan 8.210 nan 0.000 0.424 390 D N -0.448 120.034 120.400 0.137 0.000 2.394 390 D HA 0.031 5.698 4.640 1.712 0.000 0.226 390 D C 0.895 177.211 176.300 0.028 0.000 0.990 390 D CA 0.390 54.435 54.000 0.075 0.000 0.902 390 D CB -0.037 40.785 40.800 0.037 0.000 1.038 390 D HN 0.436 nan 8.370 nan 0.000 0.499 391 K N 0.106 120.514 120.400 0.014 0.000 2.102 391 K HA 0.272 5.619 4.320 1.712 0.000 0.244 391 K C 0.775 177.371 176.600 -0.006 0.000 1.021 391 K CA -0.422 55.849 56.287 -0.028 0.000 0.913 391 K CB 1.544 34.000 32.500 -0.074 0.000 1.062 391 K HN -0.378 nan 8.250 nan 0.000 0.485 392 K N 0.270 120.640 120.400 -0.050 0.000 2.172 392 K HA 0.114 5.461 4.320 1.712 0.000 0.203 392 K C -0.345 176.244 176.600 -0.018 0.000 1.040 392 K CA 0.903 57.162 56.287 -0.047 0.000 0.974 392 K CB 0.075 32.535 32.500 -0.067 0.000 0.857 392 K HN 0.727 nan 8.250 nan 0.000 0.464 393 D N 0.128 120.465 120.400 -0.104 0.000 2.339 393 D HA 0.096 5.763 4.640 1.712 0.000 0.245 393 D C -0.011 176.050 176.300 -0.398 0.000 1.115 393 D CA -0.065 53.814 54.000 -0.202 0.000 0.917 393 D CB 1.012 41.714 40.800 -0.164 0.000 1.192 393 D HN 0.365 nan 8.370 nan 0.000 0.428 394 c N -0.888 117.317 118.600 -0.659 0.000 2.779 394 c HA 0.826 6.423 4.570 1.712 0.000 0.314 394 c C 0.171 173.830 174.090 -0.719 0.000 1.231 394 c CA -0.898 54.855 56.329 -0.959 0.000 1.652 394 c CB 1.049 42.373 42.510 -1.975 0.000 2.198 394 c HN 0.637 nan 8.230 nan 0.000 0.483 395 T N -0.660 113.563 114.554 -0.552 0.000 2.767 395 T HA 0.601 5.978 4.350 1.712 0.000 0.284 395 T C -0.781 173.702 174.700 -0.362 0.000 0.973 395 T CA -0.208 61.700 62.100 -0.320 0.000 0.996 395 T CB 0.367 69.192 68.868 -0.070 0.000 0.927 395 T HN 0.502 nan 8.240 nan 0.000 0.456 396 F N 3.557 123.391 119.950 -0.193 0.000 2.472 396 F HA 0.268 5.822 4.527 1.711 0.000 0.364 396 F C 1.531 177.156 175.800 -0.291 0.000 1.090 396 F CA -1.303 56.568 58.000 -0.216 0.000 1.188 396 F CB 0.417 39.288 39.000 -0.216 0.000 1.105 396 F HN 0.666 nan 8.300 nan 0.000 0.536 397 I N -0.411 120.017 120.570 -0.236 0.000 3.603 397 I HA 0.149 5.346 4.170 1.712 0.000 0.297 397 I C 0.538 176.428 176.117 -0.378 0.000 1.269 397 I CA 0.267 61.179 61.300 -0.646 0.000 1.361 397 I CB -0.625 36.722 38.000 -1.088 0.000 1.063 397 I HN 0.398 nan 8.210 nan 0.000 0.448 398 T N -0.008 114.404 114.554 -0.236 0.000 2.893 398 T HA 0.713 6.089 4.350 1.712 0.000 0.291 398 T C -0.540 173.793 174.700 -0.612 0.000 1.028 398 T CA -0.811 61.140 62.100 -0.248 0.000 0.995 398 T CB 2.393 71.172 68.868 -0.148 0.000 1.051 398 T HN 0.461 nan 8.240 nan 0.000 0.470 399 K N 0.412 120.352 120.400 -0.766 0.000 2.469 399 K HA 0.895 6.242 4.320 1.712 0.000 0.268 399 K C -0.343 175.629 176.600 -1.046 0.000 1.027 399 K CA -1.176 54.397 56.287 -1.191 0.000 0.893 399 K CB 1.732 33.874 32.500 -0.596 0.000 1.460 399 K HN 1.430 nan 8.250 nan 0.000 0.449 400 G N -0.162 108.087 108.800 -0.920 0.000 2.334 400 G HA2 0.033 5.020 3.960 1.712 0.000 0.566 400 G HA3 0.033 5.020 3.960 1.712 0.000 0.566 400 G C -0.688 173.695 174.900 -0.861 0.000 1.413 400 G CA -0.355 44.349 45.100 -0.661 0.000 0.993 400 G HN 0.865 nan 8.290 nan 0.000 0.642 401 T N -0.368 113.833 114.554 -0.589 0.000 3.783 401 T HA 0.573 5.950 4.350 1.712 0.000 0.262 401 T C 0.299 174.817 174.700 -0.303 0.000 1.381 401 T CA 0.477 62.027 62.100 -0.916 0.000 1.155 401 T CB -0.826 67.717 68.868 -0.540 0.000 1.256 401 T HN 1.426 nan 8.240 nan 0.000 0.807 402 W N -0.343 120.800 121.300 -0.261 0.000 2.874 402 W HA 0.707 6.394 4.660 1.711 0.000 0.403 402 W C -1.228 175.319 176.519 0.047 0.000 1.144 402 W CA -1.035 56.316 57.345 0.010 0.000 1.175 402 W CB 0.659 30.108 29.460 -0.019 0.000 1.483 402 W HN 0.168 nan 8.180 nan 0.000 0.591 403 E N 0.507 120.884 120.200 0.295 0.000 2.369 403 E HA 0.466 5.843 4.350 1.712 0.000 0.270 403 E C -1.255 175.456 176.600 0.185 0.000 0.909 403 E CA -1.092 55.276 56.400 -0.052 0.000 0.775 403 E CB 3.412 33.146 29.700 0.056 0.000 1.270 403 E HN 0.139 nan 8.360 nan 0.000 0.445 404 V N 3.515 123.408 119.914 -0.034 0.000 2.498 404 V HA 0.061 5.208 4.120 1.712 0.000 0.279 404 V C 1.065 177.278 176.094 0.199 0.000 1.048 404 V CA -0.117 62.291 62.300 0.181 0.000 0.967 404 V CB 0.876 32.721 31.823 0.038 0.000 0.988 404 V HN 0.668 nan 8.190 nan 0.000 0.473 405 I N 2.772 123.493 120.570 0.252 0.000 2.429 405 I HA 0.287 5.484 4.170 1.712 0.000 0.247 405 I C 1.100 177.362 176.117 0.242 0.000 1.099 405 I CA 1.134 62.581 61.300 0.245 0.000 1.422 405 I CB -0.646 37.434 38.000 0.132 0.000 1.112 405 I HN 0.740 nan 8.210 nan 0.000 0.430 406 G N 1.167 110.105 108.800 0.231 0.000 2.768 406 G HA2 0.516 5.503 3.960 1.712 0.000 0.297 406 G HA3 0.516 5.503 3.960 1.712 0.000 0.297 406 G C -1.046 173.974 174.900 0.200 0.000 1.430 406 G CA -0.504 44.728 45.100 0.221 0.000 1.030 406 G HN -0.007 nan 8.290 nan 0.000 0.553 407 I N 2.428 123.068 120.570 0.115 0.000 2.421 407 I HA 0.120 5.317 4.170 1.712 0.000 0.291 407 I C 0.928 176.974 176.117 -0.118 0.000 1.089 407 I CA -0.317 60.934 61.300 -0.082 0.000 1.354 407 I CB 1.250 38.985 38.000 -0.442 0.000 1.413 407 I HN 0.500 nan 8.210 nan 0.000 0.513 408 E N 5.192 125.413 120.200 0.035 0.000 2.216 408 E HA 0.258 5.635 4.350 1.712 0.000 0.192 408 E C 0.330 176.925 176.600 -0.009 0.000 0.973 408 E CA 0.310 56.786 56.400 0.127 0.000 0.851 408 E CB 0.534 30.407 29.700 0.288 0.000 0.804 408 E HN 0.701 nan 8.360 nan 0.000 0.477 409 A N 0.625 123.337 122.820 -0.180 0.000 2.605 409 A HA 0.618 5.965 4.320 1.712 0.000 0.294 409 A C -1.581 175.940 177.584 -0.105 0.000 1.062 409 A CA -0.815 51.050 52.037 -0.288 0.000 0.682 409 A CB 0.962 19.395 19.000 -0.943 0.000 1.278 409 A HN 0.127 nan 8.150 nan 0.000 0.410 410 L N 0.090 121.292 121.223 -0.034 0.000 2.431 410 L HA 0.970 6.337 4.340 1.712 0.000 0.266 410 L C -0.145 176.761 176.870 0.059 0.000 0.978 410 L CA -0.285 54.559 54.840 0.007 0.000 0.822 410 L CB 2.245 44.281 42.059 -0.040 0.000 1.310 410 L HN 0.950 nan 8.230 nan 0.000 0.409 411 T N -1.090 113.513 114.554 0.081 0.000 2.819 411 T HA 0.389 5.766 4.350 1.712 0.000 0.271 411 T C 1.123 175.864 174.700 0.069 0.000 0.986 411 T CA -0.037 62.120 62.100 0.094 0.000 0.989 411 T CB 1.081 70.033 68.868 0.140 0.000 1.396 411 T HN 0.761 nan 8.240 nan 0.000 0.597 412 S N -0.479 115.259 115.700 0.063 0.000 2.428 412 S HA -0.047 5.450 4.470 1.712 0.000 0.230 412 S C 1.057 175.637 174.600 -0.033 0.000 1.014 412 S CA 0.784 59.007 58.200 0.038 0.000 0.957 412 S CB -0.407 62.819 63.200 0.044 0.000 0.784 412 S HN 0.704 nan 8.310 nan 0.000 0.499 413 D N -0.805 119.553 120.400 -0.070 0.000 2.431 413 D HA 0.251 5.918 4.640 1.712 0.000 0.227 413 D C -0.382 175.609 176.300 -0.514 0.000 1.030 413 D CA 0.548 54.383 54.000 -0.275 0.000 0.897 413 D CB 0.447 41.087 40.800 -0.267 0.000 1.058 413 D HN 0.379 nan 8.370 nan 0.000 0.500 414 Y N -0.101 120.127 120.300 -0.119 0.000 2.634 414 Y HA 0.436 6.014 4.550 1.712 0.000 0.340 414 Y C -0.518 175.181 175.900 -0.335 0.000 1.058 414 Y CA -1.144 56.795 58.100 -0.269 0.000 1.081 414 Y CB 2.229 40.429 38.460 -0.434 0.000 1.295 414 Y HN -0.249 nan 8.280 nan 0.000 0.487 415 L N 2.206 123.294 121.223 -0.225 0.000 2.381 415 L HA 0.486 5.852 4.340 1.712 0.000 0.274 415 L C -2.017 174.693 176.870 -0.267 0.000 0.988 415 L CA -1.065 53.616 54.840 -0.265 0.000 0.824 415 L CB 1.030 42.869 42.059 -0.366 0.000 1.263 415 L HN 0.626 nan 8.230 nan 0.000 0.410 416 Y N 5.929 126.178 120.300 -0.085 0.000 2.328 416 Y HA 0.540 6.116 4.550 1.712 0.000 0.337 416 Y C -0.289 175.646 175.900 0.058 0.000 0.966 416 Y CA -0.474 57.594 58.100 -0.053 0.000 1.136 416 Y CB 1.351 39.694 38.460 -0.195 0.000 1.170 416 Y HN 0.546 nan 8.280 nan 0.000 0.470 417 Y N 0.903 121.272 120.300 0.114 0.000 2.553 417 Y HA 0.827 6.404 4.550 1.712 0.000 0.347 417 Y C -1.584 174.405 175.900 0.148 0.000 1.019 417 Y CA -1.936 56.222 58.100 0.097 0.000 1.032 417 Y CB 1.226 39.718 38.460 0.053 0.000 1.284 417 Y HN 0.402 nan 8.280 nan 0.000 0.466 418 I N 3.610 124.287 120.570 0.178 0.000 2.359 418 I HA 0.590 5.787 4.170 1.712 0.000 0.294 418 I C -0.264 175.990 176.117 0.228 0.000 0.987 418 I CA -0.420 60.938 61.300 0.096 0.000 1.225 418 I CB 1.824 39.865 38.000 0.067 0.000 1.366 418 I HN 0.880 nan 8.210 nan 0.000 0.466 419 S N 3.302 119.091 115.700 0.148 0.000 2.685 419 S HA 0.430 5.926 4.470 1.712 0.000 0.282 419 S C -0.540 174.094 174.600 0.058 0.000 1.159 419 S CA -0.916 57.400 58.200 0.194 0.000 0.833 419 S CB 1.726 65.118 63.200 0.319 0.000 1.151 419 S HN 0.639 nan 8.310 nan 0.000 0.485 420 N N -0.357 118.395 118.700 0.087 0.000 2.453 420 N HA 0.166 5.933 4.740 1.712 0.000 0.270 420 N C 0.383 175.866 175.510 -0.045 0.000 1.195 420 N CA -0.406 52.651 53.050 0.011 0.000 0.902 420 N CB 0.374 38.872 38.487 0.018 0.000 1.186 420 N HN 0.827 nan 8.380 nan 0.000 0.510 421 E N -0.015 120.015 120.200 -0.284 0.000 2.076 421 E HA -0.119 5.258 4.350 1.712 0.000 0.190 421 E C -0.368 176.050 176.600 -0.303 0.000 0.979 421 E CA -0.076 55.910 56.400 -0.689 0.000 0.807 421 E CB -0.042 28.610 29.700 -1.747 0.000 0.761 421 E HN 0.455 nan 8.360 nan 0.000 0.454 422 Y N 2.109 122.296 120.300 -0.188 0.000 2.805 422 Y HA -0.173 5.403 4.550 1.711 0.000 0.331 422 Y C 0.422 176.280 175.900 -0.069 0.000 1.241 422 Y CA 1.191 59.241 58.100 -0.083 0.000 1.546 422 Y CB 0.236 38.678 38.460 -0.029 0.000 1.248 422 Y HN 0.101 nan 8.280 nan 0.000 0.559 423 K N 3.521 123.543 120.400 -0.631 0.000 3.349 423 K HA -0.246 5.100 4.320 1.712 0.000 0.310 423 K C 0.724 177.248 176.600 -0.127 0.000 1.267 423 K CA 0.806 56.846 56.287 -0.412 0.000 0.920 423 K CB -1.756 30.506 32.500 -0.396 0.000 1.240 423 K HN 1.291 nan 8.250 nan 0.000 0.453 424 G N 0.784 109.519 108.800 -0.108 0.000 2.273 424 G HA2 -0.316 4.671 3.960 1.712 0.000 0.280 424 G HA3 -0.316 4.671 3.960 1.712 0.000 0.280 424 G C -0.048 174.864 174.900 0.019 0.000 1.047 424 G CA 0.770 45.866 45.100 -0.006 0.000 0.869 424 G HN 0.298 nan 8.290 nan 0.000 0.502 425 M N 0.704 120.240 119.600 -0.105 0.000 2.055 425 M HA 0.246 5.753 4.480 1.712 0.000 0.346 425 M C -1.092 175.003 176.300 -0.342 0.000 1.074 425 M CA -2.126 52.957 55.300 -0.361 0.000 1.009 425 M CB 1.879 34.307 32.600 -0.286 0.000 1.423 425 M HN -0.071 nan 8.290 nan 0.000 0.410 426 P HA -0.096 nan 4.420 nan 0.000 0.223 426 P C 1.000 178.167 177.300 -0.221 0.000 1.144 426 P CA 1.203 64.171 63.100 -0.220 0.000 0.783 426 P CB 0.161 31.745 31.700 -0.193 0.000 0.771 427 G N -0.826 107.766 108.800 -0.347 0.000 3.088 427 G HA2 0.277 5.264 3.960 1.712 0.000 0.217 427 G HA3 0.277 5.264 3.960 1.712 0.000 0.217 427 G C 0.711 175.605 174.900 -0.010 0.000 1.159 427 G CA 0.147 45.152 45.100 -0.159 0.000 0.760 427 G HN 0.418 nan 8.290 nan 0.000 0.550 428 G N -0.163 108.589 108.800 -0.081 0.000 2.461 428 G HA2 0.622 5.609 3.960 1.712 0.000 0.329 428 G HA3 0.622 5.609 3.960 1.712 0.000 0.329 428 G C -0.848 173.964 174.900 -0.147 0.000 1.170 428 G CA -0.723 44.370 45.100 -0.011 0.000 0.935 428 G HN 0.057 nan 8.290 nan 0.000 0.492 429 R N 0.691 121.072 120.500 -0.198 0.000 2.510 429 R HA 0.305 5.672 4.340 1.712 0.000 0.294 429 R C -1.295 174.963 176.300 -0.071 0.000 1.056 429 R CA -0.741 55.191 56.100 -0.281 0.000 0.918 429 R CB 1.607 31.454 30.300 -0.754 0.000 1.187 429 R HN 0.664 nan 8.270 nan 0.000 0.437 430 N N 0.771 119.451 118.700 -0.035 0.000 2.312 430 N HA 0.470 6.237 4.740 1.712 0.000 0.296 430 N C -1.178 174.215 175.510 -0.196 0.000 1.193 430 N CA -0.846 52.099 53.050 -0.174 0.000 0.773 430 N CB 1.810 40.081 38.487 -0.361 0.000 1.435 430 N HN 0.257 nan 8.380 nan 0.000 0.484 431 L N 1.728 122.694 121.223 -0.430 0.000 2.326 431 L HA 0.498 5.865 4.340 1.712 0.000 0.278 431 L C -1.590 174.935 176.870 -0.574 0.000 1.092 431 L CA -0.068 54.548 54.840 -0.374 0.000 0.810 431 L CB -0.087 41.731 42.059 -0.400 0.000 1.153 431 L HN 0.516 nan 8.230 nan 0.000 0.439 432 Y N 3.472 123.432 120.300 -0.567 0.000 2.545 432 Y HA 0.504 6.081 4.550 1.711 0.000 0.348 432 Y C -0.424 175.216 175.900 -0.433 0.000 1.002 432 Y CA -0.799 56.938 58.100 -0.603 0.000 1.039 432 Y CB 1.837 39.691 38.460 -1.011 0.000 1.271 432 Y HN 0.511 nan 8.280 nan 0.000 0.467 433 K N 3.915 124.211 120.400 -0.172 0.000 2.413 433 K HA 0.595 5.942 4.320 1.712 0.000 0.257 433 K C -1.919 174.651 176.600 -0.049 0.000 0.946 433 K CA -0.485 55.624 56.287 -0.297 0.000 0.823 433 K CB 1.361 33.552 32.500 -0.514 0.000 1.109 433 K HN 0.818 nan 8.250 nan 0.000 0.427 434 I N 3.267 123.874 120.570 0.061 0.000 2.433 434 I HA 0.193 5.390 4.170 1.712 0.000 0.292 434 I C -0.686 175.555 176.117 0.207 0.000 1.001 434 I CA -0.699 60.709 61.300 0.180 0.000 1.119 434 I CB 1.862 39.978 38.000 0.193 0.000 1.289 434 I HN 0.731 nan 8.210 nan 0.000 0.438 435 Q N 5.718 125.639 119.800 0.201 0.000 2.307 435 Q HA 0.128 5.495 4.340 1.712 0.000 0.259 435 Q C 0.321 176.282 176.000 -0.064 0.000 0.998 435 Q CA -0.631 55.138 55.803 -0.057 0.000 0.923 435 Q CB 1.199 29.887 28.738 -0.083 0.000 1.196 435 Q HN 0.745 nan 8.270 nan 0.000 0.416 436 L N 3.129 124.252 121.223 -0.167 0.000 2.189 436 L HA -0.229 5.138 4.340 1.712 0.000 0.214 436 L C 2.214 178.973 176.870 -0.186 0.000 1.097 436 L CA 2.096 56.884 54.840 -0.086 0.000 0.764 436 L CB -0.998 40.979 42.059 -0.137 0.000 0.900 436 L HN 0.744 nan 8.230 nan 0.000 0.436 437 S N -3.116 112.441 115.700 -0.239 0.000 2.524 437 S HA 0.053 5.549 4.470 1.712 0.000 0.216 437 S C 0.607 175.026 174.600 -0.302 0.000 0.987 437 S CA -0.065 57.978 58.200 -0.261 0.000 0.909 437 S CB 0.191 63.276 63.200 -0.192 0.000 0.781 437 S HN 0.374 nan 8.310 nan 0.000 0.521 438 D N -0.117 120.130 120.400 -0.255 0.000 2.375 438 D HA 0.245 5.912 4.640 1.712 0.000 0.241 438 D C -0.584 175.708 176.300 -0.014 0.000 1.361 438 D CA -0.516 53.379 54.000 -0.176 0.000 0.995 438 D CB 0.592 41.341 40.800 -0.084 0.000 1.312 438 D HN -0.026 nan 8.370 nan 0.000 0.576 439 Y N 1.034 121.323 120.300 -0.019 0.000 2.497 439 Y HA -0.086 5.491 4.550 1.712 0.000 0.292 439 Y C 2.508 178.421 175.900 0.021 0.000 1.137 439 Y CA 1.343 59.441 58.100 -0.003 0.000 1.285 439 Y CB -0.588 37.868 38.460 -0.007 0.000 0.991 439 Y HN 0.412 nan 8.280 nan 0.000 0.556 440 T N -3.096 111.553 114.554 0.158 0.000 3.067 440 T HA 0.037 5.414 4.350 1.712 0.000 0.257 440 T C 0.746 175.506 174.700 0.101 0.000 1.105 440 T CA -0.010 62.156 62.100 0.110 0.000 1.104 440 T CB -0.092 68.817 68.868 0.069 0.000 0.925 440 T HN 0.036 nan 8.240 nan 0.000 0.498 441 K N 2.356 122.817 120.400 0.102 0.000 2.183 441 K HA 0.435 5.782 4.320 1.712 0.000 0.272 441 K C -1.244 175.440 176.600 0.139 0.000 1.113 441 K CA -0.231 56.117 56.287 0.103 0.000 0.949 441 K CB 0.852 33.405 32.500 0.088 0.000 1.365 441 K HN 0.146 nan 8.250 nan 0.000 0.420 442 V N 2.809 122.801 119.914 0.130 0.000 2.357 442 V HA 0.121 5.268 4.120 1.712 0.000 0.281 442 V C -0.043 176.118 176.094 0.111 0.000 1.015 442 V CA -0.935 61.458 62.300 0.156 0.000 0.827 442 V CB 1.321 33.270 31.823 0.210 0.000 1.018 442 V HN 0.583 nan 8.190 nan 0.000 0.432 443 T N 2.380 116.954 114.554 0.034 0.000 2.909 443 T HA 0.265 5.642 4.350 1.712 0.000 0.289 443 T C 0.013 174.628 174.700 -0.142 0.000 1.005 443 T CA -0.275 61.792 62.100 -0.054 0.000 1.084 443 T CB 1.501 70.299 68.868 -0.117 0.000 0.975 443 T HN 0.713 nan 8.240 nan 0.000 0.509 444 C N 4.585 123.717 119.300 -0.280 0.000 2.265 444 C HA 0.425 5.912 4.460 1.712 0.000 0.332 444 C C 1.683 176.337 174.990 -0.560 0.000 1.248 444 C CA -0.750 57.850 59.018 -0.696 0.000 1.727 444 C CB -1.930 25.321 27.740 -0.815 0.000 2.348 444 C HN 0.982 nan 8.230 nan 0.000 0.519 445 L N 4.436 125.307 121.223 -0.587 0.000 2.313 445 L HA 0.023 5.390 4.340 1.712 0.000 0.214 445 L C 2.191 178.729 176.870 -0.553 0.000 1.119 445 L CA 1.303 55.867 54.840 -0.460 0.000 0.809 445 L CB -0.297 41.518 42.059 -0.406 0.000 0.933 445 L HN 0.909 nan 8.230 nan 0.000 0.449 446 S N -2.995 112.258 115.700 -0.746 0.000 2.575 446 S HA -0.022 5.475 4.470 1.712 0.000 0.230 446 S C 1.976 176.130 174.600 -0.744 0.000 1.062 446 S CA 0.009 57.654 58.200 -0.926 0.000 0.913 446 S CB -0.320 61.948 63.200 -1.553 0.000 0.837 446 S HN 0.293 nan 8.310 nan 0.000 0.487 447 C N 2.474 121.321 119.300 -0.755 0.000 2.303 447 C HA -0.144 5.343 4.460 1.712 0.000 0.273 447 C C 2.486 177.153 174.990 -0.537 0.000 1.154 447 C CA 1.819 60.334 59.018 -0.839 0.000 1.784 447 C CB -1.271 25.861 27.740 -1.013 0.000 1.993 447 C HN 0.618 nan 8.230 nan 0.000 0.430 448 E N 0.120 120.099 120.200 -0.368 0.000 2.476 448 E HA 0.148 5.525 4.350 1.712 0.000 0.191 448 E C 1.879 178.402 176.600 -0.128 0.000 1.064 448 E CA -0.116 56.169 56.400 -0.192 0.000 0.866 448 E CB -0.261 29.364 29.700 -0.125 0.000 0.952 448 E HN 0.551 nan 8.360 nan 0.000 0.492 449 L N 0.233 121.364 121.223 -0.153 0.000 2.013 449 L HA -0.145 5.222 4.340 1.712 0.000 0.212 449 L C 0.880 177.747 176.870 -0.005 0.000 1.073 449 L CA 1.028 55.829 54.840 -0.065 0.000 0.753 449 L CB -0.037 41.989 42.059 -0.055 0.000 0.890 449 L HN 0.183 nan 8.230 nan 0.000 0.432 450 N N -1.518 117.191 118.700 0.014 0.000 2.839 450 N HA 0.105 5.872 4.740 1.712 0.000 0.230 450 N C -2.114 173.407 175.510 0.018 0.000 1.388 450 N CA -0.831 52.230 53.050 0.018 0.000 0.747 450 N CB 1.065 39.569 38.487 0.028 0.000 1.411 450 N HN -0.178 nan 8.380 nan 0.000 0.556 451 P HA -0.115 nan 4.420 nan 0.000 0.219 451 P C 0.709 178.036 177.300 0.046 0.000 1.146 451 P CA 1.248 64.363 63.100 0.024 0.000 0.808 451 P CB 0.838 32.564 31.700 0.043 0.000 0.779 452 E N -0.155 120.060 120.200 0.025 0.000 2.057 452 E HA -0.078 5.299 4.350 1.712 0.000 0.190 452 E C 2.280 178.879 176.600 -0.001 0.000 0.969 452 E CA 0.591 57.002 56.400 0.017 0.000 0.812 452 E CB -0.147 29.557 29.700 0.006 0.000 0.777 452 E HN 0.291 nan 8.360 nan 0.000 0.455 453 R N 0.016 120.502 120.500 -0.023 0.000 2.200 453 R HA 0.099 5.466 4.340 1.712 0.000 0.208 453 R C 0.417 176.676 176.300 -0.067 0.000 1.033 453 R CA 0.580 56.646 56.100 -0.057 0.000 1.000 453 R CB -0.069 30.181 30.300 -0.084 0.000 0.906 453 R HN -0.052 nan 8.270 nan 0.000 0.462 454 c N 1.215 119.788 118.600 -0.044 0.000 2.281 454 c HA 0.430 6.027 4.570 1.712 0.000 0.323 454 c C -0.099 174.003 174.090 0.019 0.000 1.270 454 c CA -0.537 55.735 56.329 -0.094 0.000 1.559 454 c CB 1.159 43.605 42.510 -0.107 0.000 2.239 454 c HN 0.612 nan 8.230 nan 0.000 0.488 455 Q N 0.645 120.444 119.800 -0.002 0.000 1.988 455 Q HA 0.179 5.546 4.340 1.712 0.000 0.199 455 Q C -1.148 174.934 176.000 0.138 0.000 0.767 455 Q CA 0.025 55.889 55.803 0.103 0.000 0.966 455 Q CB 1.166 29.970 28.738 0.109 0.000 1.219 455 Q HN 0.812 nan 8.270 nan 0.000 0.432 456 Y N 0.333 120.567 120.300 -0.109 0.000 2.400 456 Y HA 0.367 5.950 4.550 1.721 0.000 0.335 456 Y C -1.704 174.086 175.900 -0.184 0.000 1.066 456 Y CA -0.871 57.178 58.100 -0.086 0.000 1.285 456 Y CB 0.653 39.061 38.460 -0.087 0.000 1.103 456 Y HN -0.061 nan 8.280 nan 0.000 0.490 457 Y N 2.353 122.571 120.300 -0.138 0.000 2.496 457 Y HA 0.681 6.261 4.550 1.717 0.000 0.331 457 Y C 0.366 176.197 175.900 -0.116 0.000 1.140 457 Y CA -0.302 57.729 58.100 -0.114 0.000 1.166 457 Y CB 2.144 40.504 38.460 -0.166 0.000 1.249 457 Y HN 0.512 nan 8.280 nan 0.000 0.479 458 S N 0.669 116.427 115.700 0.097 0.000 2.618 458 S HA 0.818 6.315 4.470 1.712 0.000 0.277 458 S C -1.812 172.826 174.600 0.063 0.000 1.138 458 S CA -0.807 57.436 58.200 0.072 0.000 0.844 458 S CB 1.739 64.993 63.200 0.091 0.000 1.127 458 S HN 0.607 nan 8.310 nan 0.000 0.474 459 V N 0.624 120.571 119.914 0.054 0.000 2.841 459 V HA 0.824 5.971 4.120 1.712 0.000 0.310 459 V C -1.060 175.067 176.094 0.054 0.000 1.090 459 V CA -0.261 62.028 62.300 -0.019 0.000 0.930 459 V CB 2.236 33.923 31.823 -0.227 0.000 1.014 459 V HN 1.097 nan 8.190 nan 0.000 0.425 460 S N 5.676 121.416 115.700 0.067 0.000 2.640 460 S HA 0.678 6.175 4.470 1.712 0.000 0.320 460 S C -0.999 173.721 174.600 0.200 0.000 1.097 460 S CA -0.372 57.979 58.200 0.252 0.000 1.092 460 S CB 0.331 63.767 63.200 0.394 0.000 0.988 460 S HN 0.510 nan 8.310 nan 0.000 0.470 461 F N 2.922 122.907 119.950 0.059 0.000 2.375 461 F HA 0.383 5.937 4.527 1.712 0.000 0.333 461 F C 1.433 176.743 175.800 -0.818 0.000 1.104 461 F CA -0.361 57.497 58.000 -0.237 0.000 1.149 461 F CB 1.138 40.007 39.000 -0.218 0.000 1.190 461 F HN 0.573 nan 8.300 nan 0.000 0.533 462 S N 1.472 116.530 115.700 -1.071 0.000 2.587 462 S HA 0.074 5.571 4.470 1.712 0.000 0.260 462 S C 1.255 175.612 174.600 -0.406 0.000 1.353 462 S CA -0.658 56.748 58.200 -1.323 0.000 0.995 462 S CB 0.684 63.361 63.200 -0.871 0.000 0.912 462 S HN 0.783 nan 8.310 nan 0.000 0.568 463 K N 0.410 120.703 120.400 -0.178 0.000 2.074 463 K HA -0.173 5.174 4.320 1.712 0.000 0.209 463 K C 1.579 178.177 176.600 -0.004 0.000 1.048 463 K CA 2.016 58.293 56.287 -0.017 0.000 0.926 463 K CB -0.149 32.374 32.500 0.039 0.000 0.713 463 K HN 0.760 nan 8.250 nan 0.000 0.444 464 E N -1.448 118.748 120.200 -0.007 0.000 2.499 464 E HA 0.254 5.631 4.350 1.712 0.000 0.199 464 E C -0.540 176.055 176.600 -0.008 0.000 1.016 464 E CA 0.531 56.943 56.400 0.019 0.000 0.933 464 E CB 0.712 30.448 29.700 0.060 0.000 1.050 464 E HN 0.340 nan 8.360 nan 0.000 0.462 465 A N 0.495 123.286 122.820 -0.048 0.000 2.860 465 A HA -0.314 5.033 4.320 1.712 0.000 0.267 465 A C 1.413 178.994 177.584 -0.006 0.000 1.421 465 A CA 1.380 53.395 52.037 -0.036 0.000 0.831 465 A CB -2.009 16.850 19.000 -0.235 0.000 1.041 465 A HN 0.214 nan 8.150 nan 0.000 0.623 466 K N -0.978 119.381 120.400 -0.067 0.000 2.167 466 K HA 0.184 5.531 4.320 1.712 0.000 0.203 466 K C 0.298 176.597 176.600 -0.502 0.000 1.052 466 K CA 1.797 57.923 56.287 -0.268 0.000 0.956 466 K CB -0.123 32.186 32.500 -0.320 0.000 0.735 466 K HN 0.721 nan 8.250 nan 0.000 0.451 467 Y N -1.200 119.064 120.300 -0.060 0.000 2.633 467 Y HA 0.411 5.987 4.550 1.711 0.000 0.339 467 Y C -0.899 174.918 175.900 -0.138 0.000 1.045 467 Y CA -1.383 56.653 58.100 -0.106 0.000 1.098 467 Y CB 1.596 40.039 38.460 -0.029 0.000 1.296 467 Y HN -0.017 nan 8.280 nan 0.000 0.494 468 Y N -1.334 118.976 120.300 0.016 0.000 2.482 468 Y HA 0.426 6.003 4.550 1.710 0.000 0.334 468 Y C -1.218 174.719 175.900 0.062 0.000 1.091 468 Y CA -1.451 56.517 58.100 -0.220 0.000 1.027 468 Y CB 1.252 39.083 38.460 -1.048 0.000 1.306 468 Y HN 0.613 nan 8.280 nan 0.000 0.446 469 Q N 4.048 124.011 119.800 0.273 0.000 2.261 469 Q HA 0.519 5.886 4.340 1.712 0.000 0.252 469 Q C -1.611 174.488 176.000 0.164 0.000 0.915 469 Q CA -0.625 55.275 55.803 0.162 0.000 0.915 469 Q CB 1.220 30.006 28.738 0.081 0.000 1.204 469 Q HN 0.962 nan 8.270 nan 0.000 0.421 470 L N 4.109 125.443 121.223 0.185 0.000 2.317 470 L HA 0.532 5.899 4.340 1.712 0.000 0.281 470 L C -0.073 176.815 176.870 0.031 0.000 1.024 470 L CA -0.553 54.391 54.840 0.173 0.000 0.810 470 L CB 1.639 43.858 42.059 0.267 0.000 1.240 470 L HN 0.596 nan 8.230 nan 0.000 0.427 471 R N 2.757 123.229 120.500 -0.046 0.000 2.371 471 R HA 0.307 5.674 4.340 1.712 0.000 0.312 471 R C -1.077 174.977 176.300 -0.410 0.000 0.980 471 R CA -0.428 55.445 56.100 -0.378 0.000 0.867 471 R CB 1.330 31.443 30.300 -0.312 0.000 1.163 471 R HN 0.695 nan 8.270 nan 0.000 0.492 472 c N 2.805 121.052 118.600 -0.588 0.000 2.369 472 c HA 0.386 5.983 4.570 1.712 0.000 0.358 472 c C 1.103 174.954 174.090 -0.398 0.000 1.274 472 c CA -0.193 55.706 56.329 -0.716 0.000 1.935 472 c CB 0.965 43.047 42.510 -0.714 0.000 2.431 472 c HN 0.939 nan 8.230 nan 0.000 0.545 473 S N 2.707 118.262 115.700 -0.242 0.000 2.512 473 S HA 0.506 6.003 4.470 1.712 0.000 0.216 473 S C 0.560 175.134 174.600 -0.044 0.000 1.006 473 S CA 0.514 58.654 58.200 -0.100 0.000 0.915 473 S CB 0.385 63.547 63.200 -0.063 0.000 0.824 473 S HN 1.319 nan 8.310 nan 0.000 0.497 474 G N 1.281 110.037 108.800 -0.072 0.000 2.313 474 G HA2 0.267 5.254 3.960 1.712 0.000 0.296 474 G HA3 0.267 5.254 3.960 1.712 0.000 0.296 474 G C -2.920 171.964 174.900 -0.027 0.000 1.356 474 G CA -0.605 44.486 45.100 -0.015 0.000 0.833 474 G HN -0.202 nan 8.290 nan 0.000 0.552 475 P HA 0.090 nan 4.420 nan 0.000 0.223 475 P C 1.345 178.637 177.300 -0.014 0.000 1.151 475 P CA 1.411 64.528 63.100 0.029 0.000 0.787 475 P CB 0.144 31.860 31.700 0.027 0.000 0.788 476 G N 0.514 109.251 108.800 -0.105 0.000 2.621 476 G HA2 0.300 5.287 3.960 1.712 0.000 0.271 476 G HA3 0.300 5.287 3.960 1.712 0.000 0.271 476 G C -0.510 174.143 174.900 -0.412 0.000 1.236 476 G CA -0.531 44.427 45.100 -0.236 0.000 0.958 476 G HN 0.010 nan 8.290 nan 0.000 0.512 477 L N 1.526 122.422 121.223 -0.546 0.000 2.578 477 L HA 0.120 5.487 4.340 1.712 0.000 0.279 477 L C -1.575 175.159 176.870 -0.227 0.000 1.227 477 L CA -0.163 54.362 54.840 -0.526 0.000 0.900 477 L CB 0.094 41.944 42.059 -0.349 0.000 1.144 477 L HN 0.260 nan 8.230 nan 0.000 0.496 478 P HA 0.023 nan 4.420 nan 0.000 0.266 478 P C -1.051 176.250 177.300 0.003 0.000 1.180 478 P CA 0.049 63.136 63.100 -0.022 0.000 0.765 478 P CB 0.468 32.259 31.700 0.152 0.000 0.806 479 L N 4.475 125.633 121.223 -0.109 0.000 2.476 479 L HA 0.428 5.795 4.340 1.712 0.000 0.269 479 L C -1.780 175.006 176.870 -0.140 0.000 0.965 479 L CA -0.599 54.218 54.840 -0.039 0.000 0.845 479 L CB 0.950 42.966 42.059 -0.072 0.000 1.259 479 L HN 0.246 nan 8.230 nan 0.000 0.403 480 Y N 3.033 123.284 120.300 -0.081 0.000 2.328 480 Y HA 0.715 6.289 4.550 1.706 0.000 0.337 480 Y C 0.594 176.383 175.900 -0.185 0.000 1.008 480 Y CA -0.361 57.667 58.100 -0.119 0.000 1.129 480 Y CB 2.007 40.375 38.460 -0.153 0.000 1.185 480 Y HN 0.663 nan 8.280 nan 0.000 0.476 481 T N 1.581 116.116 114.554 -0.030 0.000 2.903 481 T HA 0.632 6.009 4.350 1.712 0.000 0.299 481 T C -1.316 173.281 174.700 -0.173 0.000 1.093 481 T CA -0.956 61.070 62.100 -0.124 0.000 1.002 481 T CB 1.705 70.553 68.868 -0.033 0.000 1.127 481 T HN 0.540 nan 8.240 nan 0.000 0.488 482 L N 2.018 123.025 121.223 -0.360 0.000 2.329 482 L HA 0.590 5.957 4.340 1.712 0.000 0.279 482 L C -0.680 175.839 176.870 -0.585 0.000 1.014 482 L CA -0.815 53.844 54.840 -0.302 0.000 0.814 482 L CB 1.331 43.265 42.059 -0.209 0.000 1.257 482 L HN 0.828 nan 8.230 nan 0.000 0.424 483 H N 1.397 120.243 119.070 -0.373 0.000 2.851 483 H HA 0.286 5.869 4.556 1.711 0.000 0.372 483 H C -0.758 174.304 175.328 -0.443 0.000 1.158 483 H CA -0.751 54.974 56.048 -0.538 0.000 1.159 483 H CB 2.333 31.463 29.762 -1.053 0.000 1.757 483 H HN 0.523 nan 8.280 nan 0.000 0.546 484 S N 0.419 116.054 115.700 -0.108 0.000 2.462 484 S HA 0.134 5.631 4.470 1.712 0.000 0.294 484 S C 1.060 175.609 174.600 -0.086 0.000 1.144 484 S CA -0.387 57.733 58.200 -0.132 0.000 1.088 484 S CB 1.456 64.597 63.200 -0.098 0.000 1.009 484 S HN 0.680 nan 8.310 nan 0.000 0.484 485 S N 2.787 118.479 115.700 -0.013 0.000 2.489 485 S HA -0.082 5.415 4.470 1.712 0.000 0.228 485 S C 1.680 176.336 174.600 0.093 0.000 0.995 485 S CA 0.505 58.827 58.200 0.205 0.000 0.934 485 S CB -0.623 62.764 63.200 0.310 0.000 0.771 485 S HN 0.794 nan 8.310 nan 0.000 0.522 486 V N 3.927 123.840 119.914 -0.003 0.000 2.250 486 V HA -0.299 4.848 4.120 1.712 0.000 0.250 486 V C 1.724 177.831 176.094 0.021 0.000 1.060 486 V CA 2.732 65.037 62.300 0.009 0.000 1.030 486 V CB -0.818 30.986 31.823 -0.031 0.000 0.643 486 V HN 0.859 nan 8.190 nan 0.000 0.445 487 N N -2.504 116.202 118.700 0.009 0.000 2.171 487 N HA 0.107 5.874 4.740 1.712 0.000 0.212 487 N C 0.047 175.566 175.510 0.015 0.000 1.184 487 N CA 0.480 53.536 53.050 0.009 0.000 0.888 487 N CB 0.134 38.623 38.487 0.003 0.000 1.038 487 N HN 0.444 nan 8.380 nan 0.000 0.517 488 D N 0.366 120.791 120.400 0.042 0.000 2.705 488 D HA -0.178 5.489 4.640 1.712 0.000 0.240 488 D C -0.595 175.746 176.300 0.067 0.000 1.137 488 D CA 1.031 55.078 54.000 0.078 0.000 0.677 488 D CB -1.006 39.819 40.800 0.041 0.000 1.049 488 D HN 0.801 nan 8.370 nan 0.000 0.427 489 K N -1.355 119.079 120.400 0.056 0.000 2.166 489 K HA 0.669 6.016 4.320 1.712 0.000 0.245 489 K C 0.531 177.163 176.600 0.055 0.000 0.967 489 K CA -0.775 55.542 56.287 0.050 0.000 0.863 489 K CB 1.588 34.091 32.500 0.004 0.000 1.107 489 K HN -0.044 nan 8.250 nan 0.000 0.436 490 G N 2.457 111.253 108.800 -0.007 0.000 2.360 490 G HA2 0.200 5.187 3.960 1.712 0.000 0.279 490 G HA3 0.200 5.187 3.960 1.712 0.000 0.279 490 G C 0.371 175.133 174.900 -0.230 0.000 1.189 490 G CA -0.713 44.235 45.100 -0.253 0.000 0.941 490 G HN 0.633 nan 8.290 nan 0.000 0.445 491 L N 1.906 122.948 121.223 -0.302 0.000 2.049 491 L HA 0.238 5.605 4.340 1.712 0.000 0.203 491 L C 1.679 178.452 176.870 -0.161 0.000 1.074 491 L CA 1.020 55.756 54.840 -0.173 0.000 0.749 491 L CB -0.110 41.872 42.059 -0.127 0.000 0.907 491 L HN 0.725 nan 8.230 nan 0.000 0.439 492 R N -1.597 118.772 120.500 -0.218 0.000 2.709 492 R HA 0.335 5.701 4.340 1.712 0.000 0.270 492 R C -1.662 174.507 176.300 -0.217 0.000 1.038 492 R CA -0.816 55.180 56.100 -0.173 0.000 0.872 492 R CB 1.412 31.639 30.300 -0.120 0.000 1.259 492 R HN -0.253 nan 8.270 nan 0.000 0.473 493 V N 4.001 123.817 119.914 -0.164 0.000 2.405 493 V HA 0.109 5.256 4.120 1.712 0.000 0.264 493 V C 1.558 177.522 176.094 -0.217 0.000 1.048 493 V CA -0.183 62.023 62.300 -0.158 0.000 0.966 493 V CB 0.754 32.522 31.823 -0.092 0.000 1.015 493 V HN 0.666 nan 8.190 nan 0.000 0.477 494 L N 2.699 123.716 121.223 -0.344 0.000 2.049 494 L HA 0.157 5.524 4.340 1.712 0.000 0.203 494 L C 0.927 177.542 176.870 -0.425 0.000 1.074 494 L CA 1.079 55.516 54.840 -0.670 0.000 0.749 494 L CB 0.139 41.456 42.059 -1.235 0.000 0.907 494 L HN 0.693 nan 8.230 nan 0.000 0.439 495 E N -0.315 119.769 120.200 -0.193 0.000 2.321 495 E HA 0.097 5.474 4.350 1.712 0.000 0.281 495 E C -1.225 175.416 176.600 0.069 0.000 0.910 495 E CA -0.424 55.965 56.400 -0.019 0.000 0.770 495 E CB 1.261 30.949 29.700 -0.021 0.000 1.225 495 E HN 0.187 nan 8.360 nan 0.000 0.417 496 D N 3.444 123.871 120.400 0.045 0.000 2.540 496 D HA 0.088 5.755 4.640 1.712 0.000 0.229 496 D C -0.527 175.793 176.300 0.033 0.000 1.250 496 D CA -0.325 53.697 54.000 0.038 0.000 0.817 496 D CB -0.140 40.663 40.800 0.005 0.000 1.060 496 D HN 0.472 nan 8.370 nan 0.000 0.508 497 N N 1.066 119.797 118.700 0.051 0.000 2.714 497 N HA -0.163 5.604 4.740 1.712 0.000 0.252 497 N C 0.567 176.094 175.510 0.028 0.000 1.014 497 N CA 0.845 53.923 53.050 0.047 0.000 0.735 497 N CB -1.108 37.409 38.487 0.050 0.000 0.924 497 N HN 0.254 nan 8.380 nan 0.000 0.540 498 S N -0.176 115.541 115.700 0.028 0.000 2.355 498 S HA -0.077 5.419 4.470 1.712 0.000 0.222 498 S C 2.166 176.788 174.600 0.036 0.000 1.031 498 S CA 0.970 59.184 58.200 0.023 0.000 0.993 498 S CB -0.087 63.127 63.200 0.022 0.000 0.859 498 S HN 0.669 nan 8.310 nan 0.000 0.453 499 A N 1.823 124.673 122.820 0.048 0.000 1.892 499 A HA -0.126 5.221 4.320 1.712 0.000 0.218 499 A C 2.197 179.833 177.584 0.087 0.000 1.188 499 A CA 1.759 53.834 52.037 0.063 0.000 0.631 499 A CB -0.869 18.169 19.000 0.063 0.000 0.822 499 A HN 0.410 nan 8.150 nan 0.000 0.447 500 L N 0.005 121.284 121.223 0.094 0.000 2.056 500 L HA -0.136 5.231 4.340 1.712 0.000 0.207 500 L C 2.003 178.925 176.870 0.086 0.000 1.078 500 L CA 2.725 57.642 54.840 0.129 0.000 0.749 500 L CB -0.623 41.514 42.059 0.131 0.000 0.901 500 L HN 0.492 nan 8.230 nan 0.000 0.433 501 D N -0.648 119.771 120.400 0.033 0.000 2.149 501 D HA -0.288 5.379 4.640 1.712 0.000 0.198 501 D C 2.249 178.563 176.300 0.022 0.000 0.990 501 D CA 1.585 55.584 54.000 -0.001 0.000 0.839 501 D CB -0.017 40.771 40.800 -0.020 0.000 0.948 501 D HN 0.329 nan 8.370 nan 0.000 0.460 502 K N -0.522 119.905 120.400 0.044 0.000 2.009 502 K HA -0.138 5.209 4.320 1.712 0.000 0.210 502 K C 2.156 178.803 176.600 0.078 0.000 1.049 502 K CA 1.339 57.658 56.287 0.053 0.000 0.929 502 K CB -0.104 32.430 32.500 0.057 0.000 0.714 502 K HN 0.189 nan 8.250 nan 0.000 0.440 503 M N 0.162 119.837 119.600 0.125 0.000 2.358 503 M HA -0.129 5.378 4.480 1.712 0.000 0.264 503 M C 1.149 177.525 176.300 0.127 0.000 1.064 503 M CA 0.822 56.246 55.300 0.206 0.000 1.093 503 M CB 0.083 32.919 32.600 0.395 0.000 1.401 503 M HN 0.123 nan 8.290 nan 0.000 0.440 504 L N -0.504 120.738 121.223 0.030 0.000 2.592 504 L HA 0.048 5.415 4.340 1.712 0.000 0.227 504 L C 2.097 178.951 176.870 -0.027 0.000 1.127 504 L CA 1.156 55.958 54.840 -0.063 0.000 0.884 504 L CB -0.691 41.320 42.059 -0.080 0.000 1.065 504 L HN 0.297 nan 8.230 nan 0.000 0.457 505 Q N -0.839 118.966 119.800 0.009 0.000 2.245 505 Q HA -0.118 5.249 4.340 1.712 0.000 0.201 505 Q C 1.731 177.746 176.000 0.026 0.000 0.955 505 Q CA 1.137 56.948 55.803 0.013 0.000 0.870 505 Q CB 0.246 28.997 28.738 0.021 0.000 0.945 505 Q HN 0.596 nan 8.270 nan 0.000 0.461 506 N N -0.835 117.889 118.700 0.041 0.000 2.148 506 N HA -0.052 5.715 4.740 1.712 0.000 0.186 506 N C 0.340 175.881 175.510 0.052 0.000 1.031 506 N CA 0.337 53.420 53.050 0.055 0.000 0.848 506 N CB 0.386 38.919 38.487 0.076 0.000 1.005 506 N HN 0.018 nan 8.380 nan 0.000 0.427 507 V N 2.206 122.141 119.914 0.036 0.000 2.673 507 V HA -0.053 5.094 4.120 1.712 0.000 0.303 507 V C -0.338 175.764 176.094 0.013 0.000 1.046 507 V CA 0.059 62.375 62.300 0.027 0.000 1.126 507 V CB 0.834 32.636 31.823 -0.036 0.000 0.934 507 V HN 0.280 nan 8.190 nan 0.000 0.487 508 Q N 7.167 126.990 119.800 0.038 0.000 2.837 508 Q HA 0.258 5.625 4.340 1.712 0.000 0.235 508 Q C -0.163 175.821 176.000 -0.026 0.000 1.348 508 Q CA -0.209 55.596 55.803 0.004 0.000 0.990 508 Q CB 0.279 29.056 28.738 0.065 0.000 1.570 508 Q HN 0.676 nan 8.270 nan 0.000 0.575 509 M N 2.831 122.398 119.600 -0.054 0.000 2.232 509 M HA 0.229 5.735 4.480 1.712 0.000 0.321 509 M C -1.923 174.323 176.300 -0.091 0.000 1.101 509 M CA -1.900 53.360 55.300 -0.068 0.000 1.181 509 M CB -0.427 32.133 32.600 -0.066 0.000 1.432 509 M HN 0.264 nan 8.290 nan 0.000 0.457 510 P HA 0.275 nan 4.420 nan 0.000 0.278 510 P C -0.974 176.265 177.300 -0.102 0.000 1.266 510 P CA -0.436 62.595 63.100 -0.115 0.000 0.807 510 P CB 0.704 32.324 31.700 -0.132 0.000 1.094 511 S N -0.516 115.109 115.700 -0.125 0.000 2.704 511 S HA 0.629 6.126 4.470 1.712 0.000 0.305 511 S C -0.524 173.998 174.600 -0.129 0.000 1.107 511 S CA -0.793 57.343 58.200 -0.107 0.000 0.993 511 S CB 1.656 64.784 63.200 -0.119 0.000 1.110 511 S HN 0.485 nan 8.310 nan 0.000 0.534 512 K N 0.596 120.942 120.400 -0.091 0.000 2.376 512 K HA 0.380 5.727 4.320 1.712 0.000 0.257 512 K C -1.232 175.319 176.600 -0.081 0.000 0.939 512 K CA -0.505 55.732 56.287 -0.084 0.000 0.809 512 K CB 1.270 33.749 32.500 -0.034 0.000 1.121 512 K HN 0.695 nan 8.250 nan 0.000 0.425 513 K N 5.863 126.202 120.400 -0.102 0.000 2.240 513 K HA 0.254 5.601 4.320 1.712 0.000 0.271 513 K C -1.180 175.400 176.600 -0.034 0.000 1.018 513 K CA -0.704 55.537 56.287 -0.076 0.000 0.874 513 K CB 0.840 33.270 32.500 -0.117 0.000 1.098 513 K HN 0.493 nan 8.250 nan 0.000 0.458 514 L N 4.811 126.031 121.223 -0.006 0.000 2.280 514 L HA 0.468 5.834 4.340 1.712 0.000 0.287 514 L C -1.025 175.885 176.870 0.067 0.000 1.023 514 L CA 0.237 55.105 54.840 0.048 0.000 0.819 514 L CB 1.084 43.207 42.059 0.107 0.000 1.212 514 L HN 0.885 nan 8.230 nan 0.000 0.420 515 D N 3.248 123.555 120.400 -0.154 0.000 2.713 515 D HA 0.457 6.124 4.640 1.712 0.000 0.306 515 D C -1.329 174.553 176.300 -0.696 0.000 1.299 515 D CA -0.004 53.760 54.000 -0.393 0.000 0.823 515 D CB 2.168 42.670 40.800 -0.496 0.000 1.353 515 D HN 0.244 nan 8.370 nan 0.000 0.447 516 F N -0.258 119.269 119.950 -0.704 0.000 2.664 516 F HA 0.812 6.365 4.527 1.710 0.000 0.329 516 F C -0.782 175.092 175.800 0.123 0.000 1.090 516 F CA -1.067 56.652 58.000 -0.468 0.000 0.978 516 F CB 1.006 39.245 39.000 -1.269 0.000 1.378 516 F HN 0.245 nan 8.300 nan 0.000 0.495 517 I N 0.296 121.169 120.570 0.505 0.000 2.656 517 I HA 0.515 5.712 4.170 1.712 0.000 0.292 517 I C -1.151 175.222 176.117 0.426 0.000 1.144 517 I CA -1.224 60.318 61.300 0.403 0.000 1.038 517 I CB 2.063 40.287 38.000 0.373 0.000 1.244 517 I HN 0.466 nan 8.210 nan 0.000 0.420 518 I N 5.373 126.127 120.570 0.306 0.000 2.588 518 I HA 0.411 5.608 4.170 1.712 0.000 0.283 518 I C -0.341 175.931 176.117 0.259 0.000 1.119 518 I CA -0.095 61.355 61.300 0.251 0.000 1.419 518 I CB 0.935 39.037 38.000 0.170 0.000 1.394 518 I HN 0.568 nan 8.210 nan 0.000 0.562 519 L N 6.267 127.674 121.223 0.307 0.000 2.565 519 L HA 0.334 5.701 4.340 1.712 0.000 0.261 519 L C 0.301 177.336 176.870 0.277 0.000 0.932 519 L CA -0.129 54.886 54.840 0.291 0.000 0.878 519 L CB 1.221 43.498 42.059 0.364 0.000 1.333 519 L HN 0.652 nan 8.230 nan 0.000 0.409 520 N N 3.257 122.054 118.700 0.162 0.000 2.701 520 N HA -0.254 5.513 4.740 1.712 0.000 0.252 520 N C 0.088 175.658 175.510 0.099 0.000 1.002 520 N CA 1.550 54.669 53.050 0.115 0.000 0.758 520 N CB -0.393 38.158 38.487 0.107 0.000 0.937 520 N HN 0.901 nan 8.380 nan 0.000 0.538 521 E N -2.679 117.576 120.200 0.092 0.000 2.722 521 E HA -0.228 5.149 4.350 1.712 0.000 0.265 521 E C -0.696 175.918 176.600 0.023 0.000 1.081 521 E CA 1.468 57.902 56.400 0.056 0.000 0.781 521 E CB -1.610 28.111 29.700 0.034 0.000 1.372 521 E HN 0.664 nan 8.360 nan 0.000 0.423 522 T N -0.169 114.401 114.554 0.027 0.000 2.876 522 T HA 0.454 5.831 4.350 1.712 0.000 0.289 522 T C -0.315 174.246 174.700 -0.231 0.000 1.014 522 T CA -1.241 60.774 62.100 -0.142 0.000 0.986 522 T CB 1.709 70.434 68.868 -0.239 0.000 1.021 522 T HN 0.005 nan 8.240 nan 0.000 0.458 523 K N 2.258 122.454 120.400 -0.341 0.000 2.284 523 K HA 0.403 5.750 4.320 1.712 0.000 0.287 523 K C -1.247 175.119 176.600 -0.390 0.000 1.081 523 K CA -0.367 55.739 56.287 -0.301 0.000 0.910 523 K CB 0.277 32.441 32.500 -0.560 0.000 1.088 523 K HN 0.437 nan 8.250 nan 0.000 0.478 524 F N 2.216 122.234 119.950 0.113 0.000 2.426 524 F HA 0.298 5.851 4.527 1.710 0.000 0.348 524 F C -0.085 175.853 175.800 0.231 0.000 1.124 524 F CA -0.830 57.266 58.000 0.159 0.000 1.008 524 F CB 0.723 39.863 39.000 0.235 0.000 1.139 524 F HN 0.478 nan 8.300 nan 0.000 0.452 525 W N 3.735 125.213 121.300 0.297 0.000 2.183 525 W HA 0.476 6.162 4.660 1.710 0.000 0.348 525 W C -0.534 176.195 176.519 0.349 0.000 1.257 525 W CA -0.237 57.273 57.345 0.275 0.000 1.324 525 W CB 0.380 29.923 29.460 0.138 0.000 1.144 525 W HN 0.467 nan 8.180 nan 0.000 0.622 526 Y N -1.299 119.356 120.300 0.591 0.000 2.656 526 Y HA 0.539 6.114 4.550 1.709 0.000 0.334 526 Y C -1.201 174.920 175.900 0.368 0.000 1.179 526 Y CA -1.968 56.456 58.100 0.540 0.000 1.050 526 Y CB 0.880 39.812 38.460 0.788 0.000 1.308 526 Y HN 0.546 nan 8.280 nan 0.000 0.456 527 Q N 1.803 121.876 119.800 0.454 0.000 2.389 527 Q HA 0.772 6.139 4.340 1.712 0.000 0.277 527 Q C -1.865 174.256 176.000 0.202 0.000 1.082 527 Q CA -1.181 54.764 55.803 0.237 0.000 0.810 527 Q CB 3.360 32.187 28.738 0.149 0.000 1.374 527 Q HN 0.845 nan 8.270 nan 0.000 0.422 528 M N 2.699 122.342 119.600 0.071 0.000 2.197 528 M HA 0.424 5.931 4.480 1.712 0.000 0.301 528 M C -1.119 175.117 176.300 -0.107 0.000 0.987 528 M CA -0.893 54.375 55.300 -0.054 0.000 0.921 528 M CB 2.000 34.506 32.600 -0.157 0.000 1.569 528 M HN 0.579 nan 8.290 nan 0.000 0.431 529 I N 5.199 125.713 120.570 -0.094 0.000 2.337 529 I HA 0.307 5.504 4.170 1.712 0.000 0.291 529 I C -0.352 175.646 176.117 -0.198 0.000 1.046 529 I CA -0.078 61.144 61.300 -0.130 0.000 1.324 529 I CB 0.001 37.941 38.000 -0.101 0.000 1.409 529 I HN 0.650 nan 8.210 nan 0.000 0.494 530 L N 8.371 129.434 121.223 -0.268 0.000 2.317 530 L HA 0.463 5.830 4.340 1.712 0.000 0.281 530 L C -2.248 174.474 176.870 -0.246 0.000 1.024 530 L CA -1.949 52.664 54.840 -0.378 0.000 0.810 530 L CB 1.613 43.267 42.059 -0.677 0.000 1.240 530 L HN 0.271 nan 8.230 nan 0.000 0.427 531 P HA 0.036 nan 4.420 nan 0.000 0.266 531 P C -2.425 174.851 177.300 -0.041 0.000 1.195 531 P CA -0.765 62.283 63.100 -0.087 0.000 0.768 531 P CB -0.219 31.468 31.700 -0.021 0.000 0.838 532 P HA -0.073 nan 4.420 nan 0.000 0.269 532 P C -0.096 177.145 177.300 -0.098 0.000 1.209 532 P CA 0.663 63.659 63.100 -0.173 0.000 0.776 532 P CB 0.061 31.629 31.700 -0.221 0.000 0.876 533 H N -1.127 117.979 119.070 0.062 0.000 2.791 533 H HA -0.201 5.383 4.556 1.714 0.000 0.302 533 H C 0.142 175.523 175.328 0.088 0.000 1.198 533 H CA 0.096 56.181 56.048 0.062 0.000 1.145 533 H CB -2.450 27.339 29.762 0.045 0.000 1.385 533 H HN 0.432 nan 8.280 nan 0.000 0.409 534 F N 2.533 122.471 119.950 -0.020 0.000 2.623 534 F HA 0.079 5.633 4.527 1.712 0.000 0.386 534 F C 0.550 176.353 175.800 0.005 0.000 1.068 534 F CA 0.206 58.148 58.000 -0.097 0.000 1.265 534 F CB 0.475 39.316 39.000 -0.265 0.000 1.026 534 F HN 0.163 nan 8.300 nan 0.000 0.568 535 D N 5.767 125.768 120.400 -0.665 0.000 2.454 535 D HA 0.164 5.831 4.640 1.712 0.000 0.247 535 D C 0.511 176.376 176.300 -0.724 0.000 1.129 535 D CA -0.585 53.126 54.000 -0.482 0.000 0.877 535 D CB 1.072 41.784 40.800 -0.146 0.000 1.082 535 D HN 0.642 nan 8.370 nan 0.000 0.537 536 K N 0.593 120.554 120.400 -0.733 0.000 2.442 536 K HA -0.130 5.217 4.320 1.712 0.000 0.199 536 K C 1.183 177.737 176.600 -0.076 0.000 1.044 536 K CA 1.216 57.245 56.287 -0.430 0.000 0.941 536 K CB -0.141 32.271 32.500 -0.145 0.000 0.759 536 K HN 0.213 nan 8.250 nan 0.000 0.472 537 S N -0.423 115.213 115.700 -0.106 0.000 2.511 537 S HA 0.139 5.636 4.470 1.712 0.000 0.214 537 S C 0.617 175.181 174.600 -0.060 0.000 0.997 537 S CA -0.491 57.685 58.200 -0.040 0.000 0.908 537 S CB 0.179 63.350 63.200 -0.048 0.000 0.803 537 S HN 0.119 nan 8.310 nan 0.000 0.504 538 K N 1.453 121.785 120.400 -0.113 0.000 2.102 538 K HA 0.315 5.662 4.320 1.712 0.000 0.244 538 K C -0.478 176.028 176.600 -0.157 0.000 1.021 538 K CA -0.320 55.831 56.287 -0.226 0.000 0.913 538 K CB 0.409 32.616 32.500 -0.490 0.000 1.062 538 K HN -0.024 nan 8.250 nan 0.000 0.485 539 K N 2.609 122.855 120.400 -0.257 0.000 2.449 539 K HA 0.226 5.573 4.320 1.712 0.000 0.257 539 K C -1.056 175.408 176.600 -0.226 0.000 0.989 539 K CA -0.370 55.843 56.287 -0.123 0.000 0.916 539 K CB 0.705 33.150 32.500 -0.092 0.000 1.136 539 K HN 0.416 nan 8.250 nan 0.000 0.439 540 Y N 2.494 122.815 120.300 0.035 0.000 2.320 540 Y HA 0.274 5.852 4.550 1.712 0.000 0.324 540 Y C -1.770 174.060 175.900 -0.116 0.000 1.190 540 Y CA -2.251 55.844 58.100 -0.008 0.000 1.215 540 Y CB 0.638 39.157 38.460 0.100 0.000 1.221 540 Y HN 0.404 nan 8.280 nan 0.000 0.486 541 P HA 0.164 nan 4.420 nan 0.000 0.275 541 P C -1.109 176.013 177.300 -0.298 0.000 1.227 541 P CA -0.266 62.522 63.100 -0.520 0.000 0.781 541 P CB 0.801 31.853 31.700 -1.080 0.000 0.906 542 L N 3.593 124.693 121.223 -0.205 0.000 2.333 542 L HA 0.530 5.897 4.340 1.712 0.000 0.280 542 L C -1.114 175.944 176.870 0.314 0.000 1.004 542 L CA -1.095 53.794 54.840 0.082 0.000 0.820 542 L CB 1.267 43.398 42.059 0.121 0.000 1.247 542 L HN 0.173 nan 8.230 nan 0.000 0.416 543 L N 5.585 127.012 121.223 0.340 0.000 2.280 543 L HA 0.471 5.837 4.340 1.712 0.000 0.287 543 L C -1.020 176.097 176.870 0.410 0.000 1.023 543 L CA -0.278 54.826 54.840 0.440 0.000 0.819 543 L CB 1.495 43.776 42.059 0.370 0.000 1.212 543 L HN 0.594 nan 8.230 nan 0.000 0.420 544 L N 5.179 126.690 121.223 0.480 0.000 2.281 544 L HA 0.415 5.782 4.340 1.712 0.000 0.285 544 L C -0.587 176.530 176.870 0.413 0.000 1.074 544 L CA 0.309 55.421 54.840 0.454 0.000 0.817 544 L CB 0.753 43.120 42.059 0.514 0.000 1.168 544 L HN 0.623 nan 8.230 nan 0.000 0.434 545 D N 4.474 125.080 120.400 0.342 0.000 2.329 545 D HA 0.393 6.060 4.640 1.712 0.000 0.232 545 D C -0.936 175.435 176.300 0.119 0.000 1.088 545 D CA -0.147 53.966 54.000 0.189 0.000 0.835 545 D CB 1.473 42.448 40.800 0.292 0.000 1.078 545 D HN 0.379 nan 8.370 nan 0.000 0.495 546 V N 3.009 122.915 119.914 -0.012 0.000 2.864 546 V HA 0.591 5.737 4.120 1.712 0.000 0.314 546 V C -0.937 175.265 176.094 0.180 0.000 1.073 546 V CA -0.513 61.865 62.300 0.129 0.000 0.956 546 V CB 1.962 33.884 31.823 0.165 0.000 1.023 546 V HN 0.608 nan 8.190 nan 0.000 0.435 547 Y N 3.718 124.097 120.300 0.131 0.000 3.274 547 Y HA 0.594 6.171 4.550 1.711 0.000 0.174 547 Y C 1.763 177.798 175.900 0.225 0.000 0.880 547 Y CA 1.541 59.748 58.100 0.179 0.000 1.793 547 Y CB 0.090 38.634 38.460 0.139 0.000 1.409 547 Y HN 1.754 nan 8.280 nan 0.000 0.368 548 A N 0.790 123.731 122.820 0.201 0.000 3.413 548 A HA -0.175 5.172 4.320 1.712 0.000 0.268 548 A C 1.217 178.689 177.584 -0.187 0.000 1.128 548 A CA 1.347 53.415 52.037 0.050 0.000 1.062 548 A CB -2.592 16.547 19.000 0.230 0.000 1.121 548 A HN 1.122 nan 8.150 nan 0.000 0.895 549 G N -0.734 107.753 108.800 -0.522 0.000 2.684 549 G HA2 0.437 5.424 3.960 1.712 0.000 0.255 549 G HA3 0.437 5.424 3.960 1.712 0.000 0.255 549 G C -2.231 172.200 174.900 -0.781 0.000 1.219 549 G CA -0.443 43.861 45.100 -1.327 0.000 0.901 549 G HN 0.327 nan 8.290 nan 0.000 0.548 550 P HA 0.107 nan 4.420 nan 0.000 0.263 550 P C 0.439 177.444 177.300 -0.491 0.000 1.195 550 P CA 0.131 62.828 63.100 -0.672 0.000 0.762 550 P CB 0.633 31.493 31.700 -1.400 0.000 0.799 551 C N 2.883 121.985 119.300 -0.330 0.000 4.545 551 C HA -0.119 5.368 4.460 1.712 0.000 0.300 551 C C 0.756 175.644 174.990 -0.170 0.000 1.337 551 C CA 0.955 59.776 59.018 -0.330 0.000 2.032 551 C CB -2.752 24.637 27.740 -0.585 0.000 1.236 551 C HN 0.770 nan 8.230 nan 0.000 0.774 552 S N 0.107 115.645 115.700 -0.270 0.000 2.687 552 S HA 0.705 6.202 4.470 1.712 0.000 0.283 552 S C -0.652 173.939 174.600 -0.015 0.000 1.170 552 S CA -0.093 57.904 58.200 -0.339 0.000 1.008 552 S CB 1.848 64.444 63.200 -1.008 0.000 1.026 552 S HN 0.847 nan 8.310 nan 0.000 0.541 553 Q N 0.136 119.993 119.800 0.095 0.000 2.709 553 Q HA 0.320 5.687 4.340 1.712 0.000 0.232 553 Q C -0.852 175.242 176.000 0.158 0.000 0.856 553 Q CA -0.478 55.423 55.803 0.163 0.000 0.788 553 Q CB 0.741 29.625 28.738 0.244 0.000 1.386 553 Q HN 0.596 nan 8.270 nan 0.000 0.453 554 K N 0.897 121.389 120.400 0.154 0.000 2.387 554 K HA 0.351 5.698 4.320 1.712 0.000 0.198 554 K C -0.594 176.110 176.600 0.175 0.000 1.022 554 K CA 0.238 56.636 56.287 0.184 0.000 1.128 554 K CB 1.187 33.820 32.500 0.222 0.000 0.853 554 K HN 0.476 nan 8.250 nan 0.000 0.523 555 A N 2.198 125.114 122.820 0.160 0.000 2.431 555 A HA 0.451 5.798 4.320 1.712 0.000 0.318 555 A C -0.855 176.777 177.584 0.081 0.000 1.330 555 A CA -0.696 51.435 52.037 0.156 0.000 0.804 555 A CB 0.281 19.428 19.000 0.245 0.000 1.135 555 A HN 0.225 nan 8.150 nan 0.000 0.483 556 D N -0.113 120.316 120.400 0.049 0.000 2.798 556 D HA 0.501 6.168 4.640 1.712 0.000 0.308 556 D C 0.622 176.927 176.300 0.007 0.000 1.187 556 D CA 0.301 54.316 54.000 0.025 0.000 1.033 556 D CB 0.338 41.146 40.800 0.013 0.000 1.445 556 D HN 0.141 nan 8.370 nan 0.000 0.550 557 T N -2.639 111.933 114.554 0.031 0.000 3.069 557 T HA 0.268 5.645 4.350 1.712 0.000 0.252 557 T C 0.566 175.242 174.700 -0.041 0.000 1.053 557 T CA -0.340 61.777 62.100 0.029 0.000 0.964 557 T CB -0.488 68.435 68.868 0.092 0.000 1.005 557 T HN 0.262 nan 8.240 nan 0.000 0.532 558 V N 2.750 122.535 119.914 -0.215 0.000 2.673 558 V HA 0.220 5.367 4.120 1.712 0.000 0.303 558 V C 0.159 176.214 176.094 -0.066 0.000 1.046 558 V CA -0.614 61.530 62.300 -0.261 0.000 1.126 558 V CB -0.254 31.275 31.823 -0.489 0.000 0.934 558 V HN 0.547 nan 8.190 nan 0.000 0.487 559 F N 6.420 126.285 119.950 -0.141 0.000 2.424 559 F HA 0.534 6.109 4.527 1.747 0.000 0.356 559 F C 0.499 176.252 175.800 -0.078 0.000 1.110 559 F CA -0.367 57.574 58.000 -0.099 0.000 1.161 559 F CB 0.340 39.290 39.000 -0.083 0.000 1.115 559 F HN 0.415 nan 8.300 nan 0.000 0.507 560 R N 6.895 126.942 120.500 -0.756 0.000 2.599 560 R HA 0.489 5.856 4.340 1.712 0.000 0.295 560 R C -1.259 174.586 176.300 -0.758 0.000 0.963 560 R CA -0.980 54.781 56.100 -0.565 0.000 0.883 560 R CB 1.977 32.122 30.300 -0.259 0.000 1.171 560 R HN 0.708 nan 8.270 nan 0.000 0.450 561 L N 4.718 125.679 121.223 -0.437 0.000 2.504 561 L HA 0.256 5.623 4.340 1.712 0.000 0.249 561 L C -0.523 176.367 176.870 0.033 0.000 1.120 561 L CA -0.569 54.099 54.840 -0.286 0.000 0.997 561 L CB -0.209 41.814 42.059 -0.059 0.000 1.349 561 L HN 0.706 nan 8.230 nan 0.000 0.439 562 N N -1.013 117.631 118.700 -0.093 0.000 3.100 562 N HA 0.146 5.913 4.740 1.712 0.000 0.344 562 N C 0.405 175.562 175.510 -0.589 0.000 1.413 562 N CA -0.844 52.110 53.050 -0.161 0.000 0.752 562 N CB 0.173 38.653 38.487 -0.012 0.000 1.519 562 N HN 0.159 nan 8.380 nan 0.000 0.620 563 W N 0.331 120.985 121.300 -1.076 0.000 2.363 563 W HA 0.142 5.780 4.660 1.630 0.000 0.296 563 W C 2.001 178.452 176.519 -0.113 0.000 1.212 563 W CA 2.554 59.485 57.345 -0.690 0.000 1.260 563 W CB -0.893 28.348 29.460 -0.365 0.000 1.131 563 W HN 0.680 nan 8.180 nan 0.000 0.530 564 A N -0.490 122.284 122.820 -0.077 0.000 1.972 564 A HA -0.194 5.153 4.320 1.712 0.000 0.219 564 A C 1.919 179.389 177.584 -0.189 0.000 1.169 564 A CA 2.387 54.324 52.037 -0.167 0.000 0.635 564 A CB -1.225 17.774 19.000 -0.003 0.000 0.810 564 A HN 0.310 nan 8.150 nan 0.000 0.446 565 T N -1.368 113.088 114.554 -0.163 0.000 2.708 565 T HA -0.199 5.178 4.350 1.712 0.000 0.266 565 T C 1.754 176.476 174.700 0.037 0.000 1.037 565 T CA 1.517 63.511 62.100 -0.176 0.000 1.146 565 T CB -0.575 68.023 68.868 -0.451 0.000 0.865 565 T HN 0.657 nan 8.240 nan 0.000 0.435 566 Y N 2.265 122.623 120.300 0.096 0.000 2.053 566 Y HA -0.207 5.354 4.550 1.686 0.000 0.277 566 Y C 2.097 177.975 175.900 -0.037 0.000 1.159 566 Y CA 1.298 59.482 58.100 0.140 0.000 1.125 566 Y CB -0.557 37.970 38.460 0.112 0.000 0.969 566 Y HN 0.068 nan 8.280 nan 0.000 0.492 567 L N 0.437 121.249 121.223 -0.685 0.000 2.042 567 L HA -0.268 5.099 4.340 1.712 0.000 0.210 567 L C 2.894 179.529 176.870 -0.391 0.000 1.076 567 L CA 1.282 55.666 54.840 -0.759 0.000 0.749 567 L CB -1.120 40.512 42.059 -0.711 0.000 0.893 567 L HN 0.453 nan 8.230 nan 0.000 0.432 568 A N -0.677 121.989 122.820 -0.257 0.000 1.832 568 A HA -0.229 5.118 4.320 1.712 0.000 0.214 568 A C 2.549 180.072 177.584 -0.103 0.000 1.200 568 A CA 1.978 53.922 52.037 -0.155 0.000 0.610 568 A CB -0.960 17.952 19.000 -0.148 0.000 0.842 568 A HN 0.353 nan 8.150 nan 0.000 0.444 569 S N -1.231 114.427 115.700 -0.069 0.000 2.359 569 S HA -0.161 5.336 4.470 1.712 0.000 0.224 569 S C 1.918 176.536 174.600 0.031 0.000 1.035 569 S CA 2.513 60.719 58.200 0.010 0.000 1.018 569 S CB -0.495 62.769 63.200 0.106 0.000 0.876 569 S HN 0.597 nan 8.310 nan 0.000 0.448 570 T N 0.722 115.269 114.554 -0.011 0.000 3.039 570 T HA 0.224 5.601 4.350 1.712 0.000 0.250 570 T C 1.262 175.926 174.700 -0.060 0.000 1.052 570 T CA 0.376 62.487 62.100 0.017 0.000 1.125 570 T CB 0.002 68.964 68.868 0.157 0.000 0.908 570 T HN 0.310 nan 8.240 nan 0.000 0.473 571 E N 1.297 121.376 120.200 -0.202 0.000 2.481 571 E HA 0.203 5.580 4.350 1.712 0.000 0.198 571 E C 0.017 176.596 176.600 -0.035 0.000 1.027 571 E CA -0.139 56.177 56.400 -0.140 0.000 0.900 571 E CB -0.288 29.254 29.700 -0.263 0.000 0.993 571 E HN 0.531 nan 8.360 nan 0.000 0.482 572 N N 0.794 119.493 118.700 -0.001 0.000 2.721 572 N HA -0.197 5.570 4.740 1.712 0.000 0.249 572 N C -0.715 174.890 175.510 0.159 0.000 1.072 572 N CA 0.184 53.306 53.050 0.119 0.000 0.710 572 N CB -1.079 37.516 38.487 0.180 0.000 0.993 572 N HN 0.214 nan 8.380 nan 0.000 0.547 573 I N 1.020 121.606 120.570 0.027 0.000 2.359 573 I HA 0.324 5.521 4.170 1.712 0.000 0.294 573 I C 0.584 176.690 176.117 -0.018 0.000 0.987 573 I CA -0.793 60.518 61.300 0.019 0.000 1.225 573 I CB 1.312 39.322 38.000 0.017 0.000 1.366 573 I HN 0.013 nan 8.210 nan 0.000 0.466 574 I N 6.591 127.165 120.570 0.007 0.000 2.416 574 I HA 0.140 5.337 4.170 1.712 0.000 0.288 574 I C -0.091 176.035 176.117 0.014 0.000 1.051 574 I CA -0.179 61.095 61.300 -0.043 0.000 1.375 574 I CB 1.310 39.298 38.000 -0.020 0.000 1.407 574 I HN 0.282 nan 8.210 nan 0.000 0.516 575 V N 7.517 127.426 119.914 -0.009 0.000 2.350 575 V HA 0.808 5.955 4.120 1.712 0.000 0.285 575 V C -0.060 176.086 176.094 0.087 0.000 1.014 575 V CA -0.137 62.207 62.300 0.074 0.000 0.831 575 V CB 1.139 32.998 31.823 0.060 0.000 1.000 575 V HN 0.794 nan 8.190 nan 0.000 0.433 576 A N 4.919 127.831 122.820 0.154 0.000 2.337 576 A HA 0.935 6.282 4.320 1.712 0.000 0.331 576 A C -0.157 177.613 177.584 0.311 0.000 1.137 576 A CA -0.554 51.584 52.037 0.168 0.000 0.807 576 A CB 1.969 20.986 19.000 0.028 0.000 1.250 576 A HN 0.902 nan 8.150 nan 0.000 0.468 577 S N -0.063 115.850 115.700 0.354 0.000 2.536 577 S HA 0.714 6.211 4.470 1.712 0.000 0.287 577 S C -1.494 173.452 174.600 0.576 0.000 1.101 577 S CA -0.265 58.177 58.200 0.404 0.000 0.950 577 S CB 1.151 64.528 63.200 0.295 0.000 1.056 577 S HN 0.658 nan 8.310 nan 0.000 0.481 578 F N 2.279 122.461 119.950 0.386 0.000 2.529 578 F HA 0.453 6.006 4.527 1.709 0.000 0.320 578 F C -1.121 174.868 175.800 0.314 0.000 1.118 578 F CA -0.946 57.303 58.000 0.415 0.000 0.915 578 F CB 1.269 40.475 39.000 0.345 0.000 1.161 578 F HN 0.370 nan 8.300 nan 0.000 0.445 579 D N 4.911 125.143 120.400 -0.279 0.000 2.411 579 D HA 0.322 5.989 4.640 1.712 0.000 0.225 579 D C 0.480 176.440 176.300 -0.566 0.000 1.156 579 D CA 0.193 54.051 54.000 -0.236 0.000 0.874 579 D CB 1.322 42.135 40.800 0.023 0.000 1.034 579 D HN 0.757 nan 8.370 nan 0.000 0.502 580 G N 1.533 110.113 108.800 -0.367 0.000 2.773 580 G HA2 0.255 5.242 3.960 1.712 0.000 0.186 580 G HA3 0.255 5.242 3.960 1.712 0.000 0.186 580 G C 0.145 175.048 174.900 0.005 0.000 1.411 580 G CA -0.685 44.256 45.100 -0.265 0.000 1.054 580 G HN 0.291 nan 8.290 nan 0.000 0.579 581 R N -0.582 119.926 120.500 0.014 0.000 2.537 581 R HA 0.405 5.772 4.340 1.712 0.000 0.280 581 R C 1.111 177.477 176.300 0.111 0.000 1.058 581 R CA 1.322 57.505 56.100 0.138 0.000 1.057 581 R CB 0.693 31.058 30.300 0.109 0.000 0.973 581 R HN 0.995 nan 8.270 nan 0.000 0.438 582 G N 1.248 110.101 108.800 0.087 0.000 2.232 582 G HA2 -0.311 4.676 3.960 1.712 0.000 0.226 582 G HA3 -0.311 4.676 3.960 1.712 0.000 0.226 582 G C 0.084 174.953 174.900 -0.051 0.000 0.996 582 G CA 0.094 45.208 45.100 0.024 0.000 0.626 582 G HN 0.692 nan 8.290 nan 0.000 0.509 583 S N 0.484 116.169 115.700 -0.025 0.000 2.593 583 S HA 0.622 6.119 4.470 1.712 0.000 0.269 583 S C 0.914 175.473 174.600 -0.068 0.000 1.334 583 S CA 0.364 58.529 58.200 -0.058 0.000 1.015 583 S CB 1.771 64.971 63.200 -0.001 0.000 0.912 583 S HN 1.619 nan 8.310 nan 0.000 0.541 584 G N -0.598 108.142 108.800 -0.100 0.000 2.522 584 G HA2 0.476 5.463 3.960 1.712 0.000 0.304 584 G HA3 0.476 5.463 3.960 1.712 0.000 0.304 584 G C -0.823 174.005 174.900 -0.121 0.000 1.210 584 G CA -1.102 43.809 45.100 -0.315 0.000 0.960 584 G HN 1.008 nan 8.290 nan 0.000 0.497 585 Y N -2.435 117.864 120.300 -0.002 0.000 4.272 585 Y HA -0.211 5.366 4.550 1.712 0.000 0.232 585 Y C 1.185 177.090 175.900 0.008 0.000 1.149 585 Y CA 0.954 59.062 58.100 0.012 0.000 1.961 585 Y CB -1.964 36.520 38.460 0.041 0.000 1.611 585 Y HN 0.522 nan 8.280 nan 0.000 0.682 586 Q N -0.073 119.738 119.800 0.018 0.000 2.023 586 Q HA 0.465 5.832 4.340 1.712 0.000 0.221 586 Q C 0.739 176.573 176.000 -0.276 0.000 0.806 586 Q CA 0.160 55.966 55.803 0.004 0.000 1.052 586 Q CB 1.606 30.360 28.738 0.026 0.000 1.229 586 Q HN 0.608 nan 8.270 nan 0.000 0.440 587 G N 0.721 109.219 108.800 -0.503 0.000 2.712 587 G HA2 -0.195 4.792 3.960 1.712 0.000 0.686 587 G HA3 -0.195 4.792 3.960 1.712 0.000 0.686 587 G C -0.322 174.290 174.900 -0.480 0.000 1.321 587 G CA -0.477 44.084 45.100 -0.898 0.000 0.813 587 G HN 0.186 nan 8.290 nan 0.000 0.599 588 D N 0.137 120.272 120.400 -0.443 0.000 2.310 588 D HA -0.036 5.631 4.640 1.712 0.000 0.212 588 D C 2.195 178.373 176.300 -0.204 0.000 0.965 588 D CA 1.277 55.114 54.000 -0.272 0.000 0.879 588 D CB 0.136 40.646 40.800 -0.484 0.000 0.921 588 D HN 0.492 nan 8.370 nan 0.000 0.510 589 K N 0.826 121.082 120.400 -0.240 0.000 2.057 589 K HA -0.012 5.335 4.320 1.712 0.000 0.206 589 K C 1.900 178.447 176.600 -0.088 0.000 1.050 589 K CA 0.847 57.043 56.287 -0.152 0.000 0.935 589 K CB -0.245 32.167 32.500 -0.147 0.000 0.715 589 K HN 0.097 nan 8.250 nan 0.000 0.439 590 I N -0.204 120.308 120.570 -0.098 0.000 2.400 590 I HA -0.110 5.087 4.170 1.712 0.000 0.248 590 I C 2.452 178.572 176.117 0.006 0.000 1.109 590 I CA 0.801 62.097 61.300 -0.008 0.000 1.425 590 I CB -0.061 37.935 38.000 -0.007 0.000 1.094 590 I HN 0.281 nan 8.210 nan 0.000 0.425 591 M N -0.080 119.487 119.600 -0.055 0.000 2.123 591 M HA -0.199 5.308 4.480 1.712 0.000 0.263 591 M C 2.118 178.387 176.300 -0.052 0.000 1.069 591 M CA 1.827 57.085 55.300 -0.071 0.000 1.133 591 M CB -0.270 32.224 32.600 -0.176 0.000 1.356 591 M HN 0.238 nan 8.290 nan 0.000 0.415 592 H N -0.283 118.669 119.070 -0.198 0.000 2.556 592 H HA 0.094 5.677 4.556 1.712 0.000 0.268 592 H C 1.853 177.199 175.328 0.031 0.000 0.996 592 H CA 0.676 56.629 56.048 -0.159 0.000 1.157 592 H CB 0.051 29.630 29.762 -0.304 0.000 1.355 592 H HN 0.531 nan 8.280 nan 0.000 0.597 593 A N 1.719 124.607 122.820 0.113 0.000 2.024 593 A HA -0.146 5.201 4.320 1.712 0.000 0.220 593 A C 2.279 180.009 177.584 0.243 0.000 1.164 593 A CA 1.265 53.358 52.037 0.093 0.000 0.643 593 A CB -0.745 18.255 19.000 0.000 0.000 0.806 593 A HN 0.552 nan 8.150 nan 0.000 0.451 594 I N -3.148 117.573 120.570 0.251 0.000 3.793 594 I HA 0.123 5.320 4.170 1.712 0.000 0.315 594 I C 0.497 176.735 176.117 0.203 0.000 1.275 594 I CA -0.389 61.065 61.300 0.257 0.000 1.214 594 I CB -0.526 37.576 38.000 0.170 0.000 1.018 594 I HN 0.233 nan 8.210 nan 0.000 0.439 595 N N 3.132 121.992 118.700 0.266 0.000 2.292 595 N HA -0.131 5.636 4.740 1.712 0.000 0.258 595 N C 0.138 175.739 175.510 0.152 0.000 1.261 595 N CA 0.459 53.673 53.050 0.273 0.000 0.845 595 N CB 0.304 38.976 38.487 0.310 0.000 1.064 595 N HN 0.423 nan 8.380 nan 0.000 0.471 596 R N 0.915 121.478 120.500 0.104 0.000 3.946 596 R HA -0.176 5.190 4.340 1.712 0.000 0.329 596 R C -0.259 176.063 176.300 0.036 0.000 1.209 596 R CA 0.875 57.011 56.100 0.060 0.000 0.909 596 R CB -0.933 29.412 30.300 0.075 0.000 1.355 596 R HN 0.680 nan 8.270 nan 0.000 0.539 597 R N 0.219 120.737 120.500 0.030 0.000 2.583 597 R HA 0.157 5.524 4.340 1.712 0.000 0.329 597 R C -0.794 175.594 176.300 0.146 0.000 1.166 597 R CA -0.662 55.380 56.100 -0.098 0.000 1.264 597 R CB 0.536 30.737 30.300 -0.165 0.000 1.324 597 R HN -0.117 nan 8.270 nan 0.000 0.684 598 L N 0.401 121.739 121.223 0.192 0.000 2.483 598 L HA 0.189 5.556 4.340 1.712 0.000 0.276 598 L C 1.504 178.642 176.870 0.446 0.000 1.213 598 L CA 1.534 56.492 54.840 0.196 0.000 0.843 598 L CB 0.435 42.362 42.059 -0.219 0.000 1.107 598 L HN 0.721 nan 8.230 nan 0.000 0.487 599 G N 0.924 110.029 108.800 0.508 0.000 2.198 599 G HA2 -0.293 4.694 3.960 1.712 0.000 0.257 599 G HA3 -0.293 4.694 3.960 1.712 0.000 0.257 599 G C 0.531 175.528 174.900 0.163 0.000 1.042 599 G CA 0.912 46.225 45.100 0.355 0.000 0.791 599 G HN 0.946 nan 8.290 nan 0.000 0.502 600 T N -3.865 110.743 114.554 0.089 0.000 3.257 600 T HA 0.458 5.835 4.350 1.712 0.000 0.176 600 T C 1.645 176.264 174.700 -0.135 0.000 0.892 600 T CA 0.908 62.915 62.100 -0.156 0.000 1.147 600 T CB 0.027 68.585 68.868 -0.517 0.000 1.840 600 T HN 0.157 nan 8.240 nan 0.000 0.375 601 F N 3.412 123.406 119.950 0.074 0.000 2.171 601 F HA 0.087 5.640 4.527 1.711 0.000 0.300 601 F C 2.858 178.696 175.800 0.064 0.000 1.090 601 F CA 1.301 59.332 58.000 0.052 0.000 1.293 601 F CB -0.541 38.486 39.000 0.045 0.000 1.013 601 F HN 0.503 nan 8.300 nan 0.000 0.486 602 E N 0.887 121.242 120.200 0.258 0.000 2.077 602 E HA -0.141 5.236 4.350 1.712 0.000 0.193 602 E C 2.207 178.921 176.600 0.190 0.000 0.989 602 E CA 1.617 58.146 56.400 0.216 0.000 0.800 602 E CB -1.186 28.649 29.700 0.224 0.000 0.746 602 E HN 0.287 nan 8.360 nan 0.000 0.452 603 V N 1.791 121.794 119.914 0.148 0.000 2.261 603 V HA -0.253 4.894 4.120 1.712 0.000 0.246 603 V C 2.430 178.559 176.094 0.058 0.000 1.047 603 V CA 2.417 64.757 62.300 0.067 0.000 1.015 603 V CB -0.624 31.192 31.823 -0.012 0.000 0.642 603 V HN 0.246 nan 8.190 nan 0.000 0.446 604 E N -0.210 120.028 120.200 0.064 0.000 2.106 604 E HA -0.211 5.166 4.350 1.712 0.000 0.192 604 E C 1.899 178.531 176.600 0.054 0.000 0.984 604 E CA 1.344 57.777 56.400 0.056 0.000 0.806 604 E CB -0.164 29.580 29.700 0.073 0.000 0.750 604 E HN 0.558 nan 8.360 nan 0.000 0.458 605 D N 0.156 120.613 120.400 0.095 0.000 2.269 605 D HA -0.105 5.562 4.640 1.712 0.000 0.208 605 D C 1.837 178.173 176.300 0.061 0.000 0.963 605 D CA 0.623 54.668 54.000 0.074 0.000 0.864 605 D CB 0.026 40.894 40.800 0.113 0.000 0.936 605 D HN 0.095 nan 8.370 nan 0.000 0.505 606 Q N 0.014 119.888 119.800 0.124 0.000 2.123 606 Q HA 0.011 5.378 4.340 1.712 0.000 0.199 606 Q C 2.471 178.503 176.000 0.053 0.000 0.966 606 Q CA 0.459 56.333 55.803 0.118 0.000 0.845 606 Q CB 0.077 28.915 28.738 0.166 0.000 0.907 606 Q HN 0.423 nan 8.270 nan 0.000 0.439 607 I N 0.537 121.149 120.570 0.069 0.000 2.252 607 I HA -0.239 4.958 4.170 1.712 0.000 0.245 607 I C 2.328 178.386 176.117 -0.098 0.000 1.102 607 I CA 1.074 62.443 61.300 0.115 0.000 1.385 607 I CB -0.180 37.884 38.000 0.107 0.000 1.064 607 I HN 0.125 nan 8.210 nan 0.000 0.414 608 E N 1.506 121.601 120.200 -0.176 0.000 2.110 608 E HA -0.186 5.191 4.350 1.712 0.000 0.193 608 E C 2.137 178.419 176.600 -0.529 0.000 0.988 608 E CA 1.479 57.711 56.400 -0.281 0.000 0.804 608 E CB -0.149 29.417 29.700 -0.223 0.000 0.745 608 E HN 0.407 nan 8.360 nan 0.000 0.458 609 A N 0.997 123.348 122.820 -0.783 0.000 1.873 609 A HA -0.196 5.151 4.320 1.712 0.000 0.218 609 A C 2.494 179.286 177.584 -1.320 0.000 1.193 609 A CA 2.525 53.738 52.037 -1.374 0.000 0.629 609 A CB -1.291 16.848 19.000 -1.435 0.000 0.826 609 A HN 0.409 nan 8.150 nan 0.000 0.447 610 A N -0.321 122.096 122.820 -0.672 0.000 1.908 610 A HA -0.214 5.133 4.320 1.712 0.000 0.218 610 A C 2.238 179.575 177.584 -0.411 0.000 1.181 610 A CA 1.738 53.511 52.037 -0.440 0.000 0.627 610 A CB -0.509 18.258 19.000 -0.389 0.000 0.818 610 A HN 0.600 nan 8.150 nan 0.000 0.445 611 R N -0.949 119.321 120.500 -0.384 0.000 2.081 611 R HA -0.119 5.248 4.340 1.712 0.000 0.235 611 R C 2.385 178.513 176.300 -0.287 0.000 1.131 611 R CA 1.347 57.275 56.100 -0.285 0.000 0.960 611 R CB -0.299 29.867 30.300 -0.223 0.000 0.856 611 R HN 0.519 nan 8.270 nan 0.000 0.436 612 Q N -0.025 119.531 119.800 -0.407 0.000 2.084 612 Q HA -0.118 5.249 4.340 1.712 0.000 0.202 612 Q C 2.059 177.933 176.000 -0.210 0.000 0.978 612 Q CA 1.480 57.077 55.803 -0.345 0.000 0.844 612 Q CB -0.216 28.230 28.738 -0.486 0.000 0.898 612 Q HN 0.274 nan 8.270 nan 0.000 0.426 613 F N 1.297 121.061 119.950 -0.309 0.000 2.084 613 F HA -0.146 5.410 4.527 1.713 0.000 0.296 613 F C 2.744 178.317 175.800 -0.378 0.000 1.111 613 F CA 1.133 58.925 58.000 -0.346 0.000 1.224 613 F CB -1.687 37.150 39.000 -0.271 0.000 0.991 613 F HN 0.114 nan 8.300 nan 0.000 0.471 614 S N 0.339 115.975 115.700 -0.106 0.000 2.380 614 S HA -0.259 5.238 4.470 1.712 0.000 0.229 614 S C 1.672 176.161 174.600 -0.185 0.000 1.043 614 S CA 1.456 59.559 58.200 -0.161 0.000 1.038 614 S CB -0.747 62.358 63.200 -0.158 0.000 0.872 614 S HN 0.443 nan 8.310 nan 0.000 0.456 615 K N 0.120 120.419 120.400 -0.168 0.000 2.476 615 K HA 0.312 5.659 4.320 1.712 0.000 0.196 615 K C 1.174 177.688 176.600 -0.143 0.000 1.025 615 K CA 0.029 56.233 56.287 -0.137 0.000 1.138 615 K CB -0.141 32.294 32.500 -0.108 0.000 0.860 615 K HN 0.511 nan 8.250 nan 0.000 0.515 616 M N -0.866 118.587 119.600 -0.244 0.000 2.556 616 M HA 0.032 5.538 4.480 1.712 0.000 0.245 616 M C 1.090 177.234 176.300 -0.260 0.000 1.128 616 M CA 0.640 55.783 55.300 -0.263 0.000 1.069 616 M CB 0.591 32.933 32.600 -0.431 0.000 1.469 616 M HN 0.434 nan 8.290 nan 0.000 0.494 617 G N 0.867 109.503 108.800 -0.274 0.000 2.213 617 G HA2 -0.285 4.702 3.960 1.712 0.000 0.236 617 G HA3 -0.285 4.702 3.960 1.712 0.000 0.236 617 G C 0.402 175.305 174.900 0.005 0.000 0.991 617 G CA 0.251 45.299 45.100 -0.085 0.000 0.629 617 G HN 0.601 nan 8.290 nan 0.000 0.517 618 F N 0.032 120.032 119.950 0.083 0.000 2.698 618 F HA 0.777 6.330 4.527 1.710 0.000 0.304 618 F C -0.003 175.900 175.800 0.170 0.000 1.108 618 F CA -1.047 57.033 58.000 0.133 0.000 1.263 618 F CB 0.453 39.586 39.000 0.222 0.000 1.013 618 F HN 0.054 nan 8.300 nan 0.000 0.532 619 V N 1.585 121.470 119.914 -0.048 0.000 2.384 619 V HA 0.185 5.332 4.120 1.712 0.000 0.287 619 V C -0.678 175.392 176.094 -0.040 0.000 1.020 619 V CA -0.723 61.571 62.300 -0.010 0.000 0.850 619 V CB 1.446 33.208 31.823 -0.103 0.000 0.987 619 V HN 0.136 nan 8.190 nan 0.000 0.436 620 D N 3.593 123.970 120.400 -0.038 0.000 2.348 620 D HA 0.035 5.702 4.640 1.712 0.000 0.259 620 D C 1.229 177.479 176.300 -0.084 0.000 1.296 620 D CA -0.010 53.944 54.000 -0.077 0.000 0.931 620 D CB 0.473 41.209 40.800 -0.107 0.000 1.067 620 D HN 0.686 nan 8.370 nan 0.000 0.503 621 N N 3.283 121.935 118.700 -0.080 0.000 2.453 621 N HA -0.153 5.614 4.740 1.712 0.000 0.183 621 N C 1.230 176.697 175.510 -0.072 0.000 1.041 621 N CA 0.607 53.602 53.050 -0.091 0.000 0.900 621 N CB 0.094 38.523 38.487 -0.097 0.000 0.961 621 N HN 0.286 nan 8.380 nan 0.000 0.443 622 K N 0.241 120.610 120.400 -0.051 0.000 2.217 622 K HA 0.062 5.409 4.320 1.712 0.000 0.202 622 K C 0.319 176.931 176.600 0.020 0.000 1.051 622 K CA 0.665 56.941 56.287 -0.019 0.000 0.952 622 K CB 0.149 32.640 32.500 -0.015 0.000 0.736 622 K HN 0.241 nan 8.250 nan 0.000 0.453 623 R N 1.056 121.551 120.500 -0.007 0.000 2.860 623 R HA 0.346 5.713 4.340 1.712 0.000 0.282 623 R C -0.862 175.465 176.300 0.045 0.000 1.408 623 R CA -0.141 55.989 56.100 0.050 0.000 1.636 623 R CB 0.480 30.688 30.300 -0.154 0.000 1.187 623 R HN 0.001 nan 8.270 nan 0.000 0.611 624 I N 1.221 121.907 120.570 0.195 0.000 2.389 624 I HA 0.480 5.677 4.170 1.712 0.000 0.288 624 I C 0.062 176.476 176.117 0.495 0.000 0.999 624 I CA -0.686 60.755 61.300 0.235 0.000 1.129 624 I CB 1.910 39.875 38.000 -0.058 0.000 1.288 624 I HN 0.322 nan 8.210 nan 0.000 0.444 625 A N 7.024 130.253 122.820 0.680 0.000 2.313 625 A HA 0.911 6.258 4.320 1.712 0.000 0.323 625 A C -0.992 176.968 177.584 0.627 0.000 1.133 625 A CA -0.640 51.748 52.037 0.585 0.000 0.847 625 A CB 1.749 20.927 19.000 0.297 0.000 1.308 625 A HN 0.739 nan 8.150 nan 0.000 0.475 626 I N 0.751 121.594 120.570 0.455 0.000 2.619 626 I HA 0.700 5.897 4.170 1.712 0.000 0.292 626 I C -1.762 174.613 176.117 0.430 0.000 1.100 626 I CA -0.562 60.932 61.300 0.324 0.000 1.043 626 I CB 1.484 39.367 38.000 -0.194 0.000 1.239 626 I HN 0.900 nan 8.210 nan 0.000 0.420 627 W N 7.173 128.611 121.300 0.229 0.000 3.167 627 W HA 0.865 6.546 4.660 1.702 0.000 0.324 627 W C -1.438 175.232 176.519 0.251 0.000 1.230 627 W CA -1.106 56.383 57.345 0.241 0.000 1.184 627 W CB 1.134 30.786 29.460 0.319 0.000 1.414 627 W HN 0.808 nan 8.180 nan 0.000 0.551 628 G N 1.026 109.805 108.800 -0.035 0.000 2.646 628 G HA2 0.505 5.492 3.960 1.712 0.000 0.291 628 G HA3 0.505 5.492 3.960 1.712 0.000 0.291 628 G C -2.739 172.114 174.900 -0.077 0.000 1.445 628 G CA -0.715 44.209 45.100 -0.294 0.000 0.814 628 G HN 0.578 nan 8.290 nan 0.000 0.495 629 W N 1.182 122.328 121.300 -0.257 0.000 2.632 629 W HA 0.536 6.219 4.660 1.704 0.000 0.328 629 W C 0.840 177.305 176.519 -0.090 0.000 1.044 629 W CA 0.374 57.635 57.345 -0.141 0.000 1.225 629 W CB 1.523 30.889 29.460 -0.156 0.000 1.396 629 W HN 1.102 nan 8.180 nan 0.000 0.499 630 S N 2.258 118.146 115.700 0.312 0.000 4.139 630 S HA -0.437 5.060 4.470 1.712 0.000 0.603 630 S C 0.919 175.597 174.600 0.130 0.000 1.897 630 S CA 1.577 59.947 58.200 0.282 0.000 4.241 630 S CB -1.556 61.884 63.200 0.401 0.000 0.221 630 S HN 0.739 nan 8.310 nan 0.000 0.488 631 Y N 3.241 123.580 120.300 0.066 0.000 2.193 631 Y HA -0.088 5.488 4.550 1.710 0.000 0.285 631 Y C 2.585 178.650 175.900 0.276 0.000 1.166 631 Y CA 2.313 60.551 58.100 0.230 0.000 1.181 631 Y CB -1.017 37.680 38.460 0.395 0.000 0.976 631 Y HN 0.594 nan 8.280 nan 0.000 0.520 632 G N -0.783 108.231 108.800 0.356 0.000 2.459 632 G HA2 -0.305 4.682 3.960 1.712 0.000 0.217 632 G HA3 -0.305 4.682 3.960 1.712 0.000 0.217 632 G C 1.931 176.912 174.900 0.136 0.000 1.183 632 G CA 0.899 46.136 45.100 0.229 0.000 0.776 632 G HN 0.586 nan 8.290 nan 0.000 0.552 633 G N 0.065 108.924 108.800 0.098 0.000 2.529 633 G HA2 -0.346 4.641 3.960 1.712 0.000 0.219 633 G HA3 -0.346 4.641 3.960 1.712 0.000 0.219 633 G C 1.599 176.549 174.900 0.083 0.000 1.177 633 G CA 1.331 46.469 45.100 0.063 0.000 0.773 633 G HN 0.513 nan 8.290 nan 0.000 0.573 634 Y N 0.987 121.226 120.300 -0.102 0.000 2.049 634 Y HA -0.213 5.363 4.550 1.710 0.000 0.277 634 Y C 2.943 178.785 175.900 -0.096 0.000 1.143 634 Y CA 2.245 60.230 58.100 -0.191 0.000 1.115 634 Y CB -0.501 37.703 38.460 -0.428 0.000 0.975 634 Y HN 0.048 nan 8.280 nan 0.000 0.487 635 V N 0.345 120.196 119.914 -0.105 0.000 2.231 635 V HA -0.419 4.728 4.120 1.712 0.000 0.248 635 V C 2.311 178.322 176.094 -0.138 0.000 1.054 635 V CA 2.587 64.811 62.300 -0.128 0.000 1.015 635 V CB -1.309 30.611 31.823 0.161 0.000 0.638 635 V HN 0.595 nan 8.190 nan 0.000 0.444 636 T N -0.089 114.441 114.554 -0.040 0.000 2.597 636 T HA -0.265 5.112 4.350 1.712 0.000 0.267 636 T C 2.098 176.749 174.700 -0.081 0.000 1.053 636 T CA 2.178 64.248 62.100 -0.050 0.000 1.165 636 T CB -0.458 68.460 68.868 0.083 0.000 0.863 636 T HN 0.521 nan 8.240 nan 0.000 0.427 637 S N 0.985 116.681 115.700 -0.006 0.000 2.365 637 S HA -0.113 5.384 4.470 1.712 0.000 0.225 637 S C 2.154 176.695 174.600 -0.097 0.000 1.039 637 S CA 1.184 59.394 58.200 0.017 0.000 1.033 637 S CB -0.374 62.852 63.200 0.044 0.000 0.887 637 S HN 0.301 nan 8.310 nan 0.000 0.447 638 M N 0.764 120.206 119.600 -0.264 0.000 2.117 638 M HA -0.039 5.468 4.480 1.712 0.000 0.262 638 M C 2.245 178.384 176.300 -0.268 0.000 1.065 638 M CA 1.137 56.251 55.300 -0.310 0.000 1.114 638 M CB -1.499 30.802 32.600 -0.498 0.000 1.361 638 M HN 0.183 nan 8.290 nan 0.000 0.408 639 V N 0.456 120.205 119.914 -0.274 0.000 2.407 639 V HA -0.227 4.920 4.120 1.712 0.000 0.248 639 V C 2.433 178.318 176.094 -0.349 0.000 1.055 639 V CA 1.302 63.428 62.300 -0.291 0.000 1.049 639 V CB -0.578 31.002 31.823 -0.404 0.000 0.662 639 V HN 0.407 nan 8.190 nan 0.000 0.455 640 L N 0.258 121.214 121.223 -0.444 0.000 2.376 640 L HA 0.035 5.402 4.340 1.712 0.000 0.219 640 L C 2.284 178.555 176.870 -0.998 0.000 1.133 640 L CA 1.176 55.646 54.840 -0.617 0.000 0.816 640 L CB -0.637 41.059 42.059 -0.605 0.000 0.933 640 L HN 0.452 nan 8.230 nan 0.000 0.449 641 G N -1.003 107.288 108.800 -0.849 0.000 2.985 641 G HA2 -0.106 4.881 3.960 1.712 0.000 0.209 641 G HA3 -0.106 4.881 3.960 1.712 0.000 0.209 641 G C 1.644 176.363 174.900 -0.300 0.000 1.165 641 G CA 0.629 45.355 45.100 -0.623 0.000 0.776 641 G HN 0.443 nan 8.290 nan 0.000 0.541 642 S N -0.044 115.505 115.700 -0.251 0.000 2.402 642 S HA 0.210 5.707 4.470 1.712 0.000 0.229 642 S C 2.001 176.543 174.600 -0.095 0.000 1.021 642 S CA 1.163 59.283 58.200 -0.134 0.000 0.974 642 S CB -0.444 62.704 63.200 -0.086 0.000 0.800 642 S HN 1.459 nan 8.310 nan 0.000 0.484 643 G N 1.002 109.738 108.800 -0.108 0.000 2.160 643 G HA2 -0.285 4.702 3.960 1.712 0.000 0.244 643 G HA3 -0.285 4.702 3.960 1.712 0.000 0.244 643 G C 0.734 175.613 174.900 -0.036 0.000 1.022 643 G CA 0.833 45.893 45.100 -0.067 0.000 0.741 643 G HN 1.353 nan 8.290 nan 0.000 0.508 644 S N -1.097 114.593 115.700 -0.018 0.000 2.524 644 S HA 0.402 5.899 4.470 1.712 0.000 0.216 644 S C 2.298 176.894 174.600 -0.006 0.000 0.987 644 S CA 1.293 59.492 58.200 -0.002 0.000 0.909 644 S CB 0.251 63.468 63.200 0.029 0.000 0.781 644 S HN 2.299 nan 8.310 nan 0.000 0.521 645 G N 0.747 109.549 108.800 0.005 0.000 2.175 645 G HA2 -0.303 4.684 3.960 1.712 0.000 0.265 645 G HA3 -0.303 4.684 3.960 1.712 0.000 0.265 645 G C 0.739 175.624 174.900 -0.024 0.000 0.979 645 G CA 0.532 45.630 45.100 -0.003 0.000 0.663 645 G HN 0.676 nan 8.290 nan 0.000 0.533 646 V N -0.930 118.958 119.914 -0.044 0.000 2.446 646 V HA 0.268 5.415 4.120 1.712 0.000 0.244 646 V C 1.288 177.183 176.094 -0.333 0.000 1.039 646 V CA 1.354 63.509 62.300 -0.241 0.000 1.045 646 V CB -0.355 31.213 31.823 -0.424 0.000 0.681 646 V HN 0.279 nan 8.190 nan 0.000 0.459 647 F N 0.432 120.391 119.950 0.015 0.000 2.408 647 F HA 0.386 5.939 4.527 1.709 0.000 0.344 647 F C 1.180 177.020 175.800 0.066 0.000 1.112 647 F CA -0.466 57.571 58.000 0.060 0.000 1.096 647 F CB 1.271 40.308 39.000 0.062 0.000 1.129 647 F HN -0.197 nan 8.300 nan 0.000 0.486 648 K N 1.909 122.464 120.400 0.258 0.000 2.186 648 K HA 0.091 5.438 4.320 1.712 0.000 0.202 648 K C -0.093 176.622 176.600 0.191 0.000 1.052 648 K CA 0.883 57.285 56.287 0.190 0.000 0.965 648 K CB 0.234 32.845 32.500 0.184 0.000 0.746 648 K HN 0.813 nan 8.250 nan 0.000 0.457 649 c N -3.347 115.398 118.600 0.242 0.000 3.295 649 c HA 0.879 6.476 4.570 1.712 0.000 0.341 649 c C -0.401 173.885 174.090 0.326 0.000 1.418 649 c CA -0.553 55.928 56.329 0.252 0.000 1.240 649 c CB 1.070 43.628 42.510 0.080 0.000 1.562 649 c HN 0.311 nan 8.230 nan 0.000 0.457 650 G N 0.050 109.120 108.800 0.450 0.000 2.667 650 G HA2 0.662 5.649 3.960 1.712 0.000 0.294 650 G HA3 0.662 5.649 3.960 1.712 0.000 0.294 650 G C -1.876 173.307 174.900 0.470 0.000 1.467 650 G CA -0.674 44.690 45.100 0.440 0.000 0.852 650 G HN 0.988 nan 8.290 nan 0.000 0.521 651 I N 0.628 121.435 120.570 0.395 0.000 2.493 651 I HA 0.698 5.895 4.170 1.712 0.000 0.298 651 I C 0.343 176.595 176.117 0.225 0.000 0.998 651 I CA -0.968 60.438 61.300 0.178 0.000 1.137 651 I CB 2.341 40.437 38.000 0.160 0.000 1.310 651 I HN 0.656 nan 8.210 nan 0.000 0.445 652 A N 5.729 128.559 122.820 0.015 0.000 2.357 652 A HA 0.723 6.070 4.320 1.712 0.000 0.295 652 A C -0.925 176.567 177.584 -0.153 0.000 1.121 652 A CA -0.500 51.561 52.037 0.040 0.000 0.742 652 A CB 1.066 20.167 19.000 0.168 0.000 1.181 652 A HN 0.420 nan 8.150 nan 0.000 0.454 653 V N 2.027 121.791 119.914 -0.249 0.000 2.394 653 V HA 0.573 5.720 4.120 1.712 0.000 0.282 653 V C 1.015 176.662 176.094 -0.745 0.000 1.031 653 V CA 0.429 62.345 62.300 -0.640 0.000 0.881 653 V CB 0.714 31.852 31.823 -1.141 0.000 0.982 653 V HN 2.188 nan 8.190 nan 0.000 0.451 654 A N 5.560 127.939 122.820 -0.734 0.000 2.610 654 A HA -0.096 5.251 4.320 1.712 0.000 0.299 654 A C -1.864 175.568 177.584 -0.253 0.000 1.487 654 A CA 0.326 51.870 52.037 -0.820 0.000 0.743 654 A CB -1.620 17.009 19.000 -0.619 0.000 1.070 654 A HN 0.622 nan 8.150 nan 0.000 0.439 655 P HA 0.457 nan 4.420 nan 0.000 0.281 655 P C 0.157 177.413 177.300 -0.074 0.000 1.249 655 P CA -0.258 62.817 63.100 -0.041 0.000 0.810 655 P CB 1.248 32.952 31.700 0.006 0.000 1.008 656 V N 2.051 121.812 119.914 -0.255 0.000 2.614 656 V HA 0.086 5.233 4.120 1.712 0.000 0.291 656 V C 1.751 177.643 176.094 -0.338 0.000 1.049 656 V CA 0.817 62.809 62.300 -0.513 0.000 1.038 656 V CB 0.550 31.630 31.823 -1.237 0.000 0.980 656 V HN 0.813 nan 8.190 nan 0.000 0.481 657 S N 3.522 119.062 115.700 -0.266 0.000 2.524 657 S HA 0.291 5.788 4.470 1.712 0.000 0.222 657 S C 0.582 175.025 174.600 -0.262 0.000 1.040 657 S CA -0.329 57.786 58.200 -0.141 0.000 0.915 657 S CB 0.353 63.529 63.200 -0.039 0.000 0.831 657 S HN 0.719 nan 8.310 nan 0.000 0.492 658 R N -0.879 119.325 120.500 -0.493 0.000 2.560 658 R HA 0.240 5.607 4.340 1.712 0.000 0.267 658 R C -1.199 174.764 176.300 -0.561 0.000 1.150 658 R CA -0.593 55.153 56.100 -0.589 0.000 0.997 658 R CB 0.294 30.070 30.300 -0.873 0.000 1.250 658 R HN 0.285 nan 8.270 nan 0.000 0.433 659 W N 2.088 123.275 121.300 -0.188 0.000 2.421 659 W HA -0.051 5.635 4.660 1.710 0.000 0.270 659 W C 1.329 177.971 176.519 0.204 0.000 1.233 659 W CA 0.560 57.890 57.345 -0.025 0.000 1.226 659 W CB 0.371 29.723 29.460 -0.180 0.000 1.121 659 W HN 0.694 nan 8.180 nan 0.000 0.579 660 E N -0.996 119.387 120.200 0.304 0.000 2.409 660 E HA -0.189 5.188 4.350 1.712 0.000 0.198 660 E C 1.277 178.042 176.600 0.275 0.000 1.024 660 E CA 0.842 57.370 56.400 0.213 0.000 0.861 660 E CB -0.174 29.550 29.700 0.041 0.000 0.788 660 E HN 0.357 nan 8.360 nan 0.000 0.521 661 Y N -1.628 118.760 120.300 0.148 0.000 2.476 661 Y HA 0.070 5.646 4.550 1.711 0.000 0.283 661 Y C 0.716 176.692 175.900 0.127 0.000 1.109 661 Y CA -0.300 57.844 58.100 0.074 0.000 1.246 661 Y CB -0.398 38.043 38.460 -0.033 0.000 1.068 661 Y HN 0.008 nan 8.280 nan 0.000 0.552 662 Y N 2.947 123.390 120.300 0.238 0.000 2.326 662 Y HA 0.168 5.746 4.550 1.712 0.000 0.324 662 Y C 0.700 176.820 175.900 0.365 0.000 1.291 662 Y CA -1.968 56.288 58.100 0.260 0.000 1.348 662 Y CB 0.241 38.913 38.460 0.353 0.000 1.294 662 Y HN 0.200 nan 8.280 nan 0.000 0.525 663 D N 0.874 120.977 120.400 -0.495 0.000 2.423 663 D HA -0.049 5.618 4.640 1.712 0.000 0.238 663 D C 0.851 177.083 176.300 -0.114 0.000 1.142 663 D CA 0.656 54.431 54.000 -0.375 0.000 0.884 663 D CB 1.290 41.708 40.800 -0.638 0.000 1.199 663 D HN 0.650 nan 8.370 nan 0.000 0.438 664 S N 2.030 117.689 115.700 -0.069 0.000 2.353 664 S HA -0.216 5.281 4.470 1.712 0.000 0.222 664 S C 2.057 176.645 174.600 -0.019 0.000 1.035 664 S CA 1.419 59.628 58.200 0.016 0.000 1.025 664 S CB -0.990 62.232 63.200 0.036 0.000 0.902 664 S HN 0.497 nan 8.310 nan 0.000 0.440 665 V N 0.813 120.656 119.914 -0.119 0.000 2.287 665 V HA -0.181 4.965 4.120 1.712 0.000 0.248 665 V C 2.339 178.296 176.094 -0.228 0.000 1.053 665 V CA 2.262 64.388 62.300 -0.290 0.000 1.027 665 V CB -1.153 30.348 31.823 -0.537 0.000 0.646 665 V HN 0.617 nan 8.190 nan 0.000 0.447 666 Y N 1.341 121.528 120.300 -0.188 0.000 2.220 666 Y HA -0.187 5.391 4.550 1.713 0.000 0.291 666 Y C 2.633 178.499 175.900 -0.057 0.000 1.129 666 Y CA 2.135 60.202 58.100 -0.054 0.000 1.161 666 Y CB -0.362 38.230 38.460 0.219 0.000 0.997 666 Y HN 0.252 nan 8.280 nan 0.000 0.522 667 T N -0.079 114.528 114.554 0.088 0.000 2.770 667 T HA -0.129 5.248 4.350 1.712 0.000 0.263 667 T C 1.510 176.115 174.700 -0.158 0.000 1.039 667 T CA 1.647 63.765 62.100 0.030 0.000 1.142 667 T CB -0.249 68.822 68.868 0.339 0.000 0.868 667 T HN 0.370 nan 8.240 nan 0.000 0.435 668 E N 0.794 120.952 120.200 -0.070 0.000 2.268 668 E HA -0.053 5.324 4.350 1.712 0.000 0.195 668 E C 2.296 178.755 176.600 -0.235 0.000 0.995 668 E CA 0.345 56.714 56.400 -0.052 0.000 0.836 668 E CB -0.096 29.626 29.700 0.037 0.000 0.763 668 E HN 0.298 nan 8.360 nan 0.000 0.491 669 R N -0.041 120.148 120.500 -0.519 0.000 2.127 669 R HA -0.178 5.189 4.340 1.712 0.000 0.238 669 R C 0.987 176.698 176.300 -0.981 0.000 1.134 669 R CA 1.458 57.052 56.100 -0.843 0.000 0.975 669 R CB 0.076 29.556 30.300 -1.365 0.000 0.865 669 R HN 0.268 nan 8.270 nan 0.000 0.447 670 Y N -2.567 117.394 120.300 -0.565 0.000 2.444 670 Y HA 0.232 5.810 4.550 1.712 0.000 0.252 670 Y C 1.683 177.394 175.900 -0.315 0.000 1.091 670 Y CA -0.060 57.699 58.100 -0.568 0.000 1.276 670 Y CB 0.546 38.522 38.460 -0.806 0.000 1.170 670 Y HN -0.068 nan 8.280 nan 0.000 0.517 671 M N -0.776 118.720 119.600 -0.174 0.000 2.338 671 M HA 0.377 5.884 4.480 1.712 0.000 0.276 671 M C 1.053 177.384 176.300 0.053 0.000 1.057 671 M CA 0.866 56.080 55.300 -0.144 0.000 1.079 671 M CB 0.068 32.398 32.600 -0.450 0.000 1.547 671 M HN 0.294 nan 8.290 nan 0.000 0.549 672 G N 2.005 110.845 108.800 0.067 0.000 2.697 672 G HA2 -0.207 4.780 3.960 1.712 0.000 0.240 672 G HA3 -0.207 4.780 3.960 1.712 0.000 0.240 672 G C -0.641 174.399 174.900 0.233 0.000 1.346 672 G CA -0.832 44.344 45.100 0.126 0.000 0.887 672 G HN 0.227 nan 8.290 nan 0.000 0.569 673 L N 2.071 123.382 121.223 0.147 0.000 2.439 673 L HA 0.426 5.793 4.340 1.712 0.000 0.269 673 L C -1.107 175.751 176.870 -0.020 0.000 1.179 673 L CA -1.214 53.663 54.840 0.062 0.000 0.828 673 L CB 0.595 42.665 42.059 0.017 0.000 1.106 673 L HN 0.442 nan 8.230 nan 0.000 0.467 674 P HA 0.136 nan 4.420 nan 0.000 0.211 674 P C -0.724 176.422 177.300 -0.258 0.000 1.833 674 P CA -0.310 62.379 63.100 -0.684 0.000 0.938 674 P CB -0.281 30.691 31.700 -1.213 0.000 1.808 675 T N -3.457 111.035 114.554 -0.103 0.000 2.918 675 T HA 0.460 5.837 4.350 1.712 0.000 0.286 675 T C -2.104 172.594 174.700 -0.003 0.000 1.026 675 T CA -2.531 59.541 62.100 -0.046 0.000 1.031 675 T CB 1.663 70.515 68.868 -0.026 0.000 1.046 675 T HN -0.288 nan 8.240 nan 0.000 0.479 676 P HA -0.157 nan 4.420 nan 0.000 0.216 676 P C 1.373 178.690 177.300 0.029 0.000 1.153 676 P CA 1.069 64.182 63.100 0.021 0.000 0.858 676 P CB 0.070 31.779 31.700 0.014 0.000 0.789 677 E N -1.428 118.784 120.200 0.021 0.000 2.494 677 E HA -0.063 5.314 4.350 1.712 0.000 0.193 677 E C 0.712 177.331 176.600 0.033 0.000 1.074 677 E CA 0.661 57.075 56.400 0.024 0.000 0.867 677 E CB -0.388 29.321 29.700 0.015 0.000 0.924 677 E HN 0.272 nan 8.360 nan 0.000 0.502 678 D N 0.904 121.330 120.400 0.044 0.000 3.028 678 D HA 0.021 5.688 4.640 1.712 0.000 0.205 678 D C 0.395 176.753 176.300 0.097 0.000 1.489 678 D CA 0.153 54.191 54.000 0.064 0.000 1.452 678 D CB 0.041 40.878 40.800 0.062 0.000 1.052 678 D HN 0.124 nan 8.370 nan 0.000 0.221 679 N N -0.325 118.458 118.700 0.139 0.000 2.110 679 N HA 0.080 5.847 4.740 1.712 0.000 0.230 679 N C 1.044 176.733 175.510 0.298 0.000 1.353 679 N CA -0.009 53.169 53.050 0.212 0.000 0.807 679 N CB 0.157 38.793 38.487 0.249 0.000 1.244 679 N HN 0.094 nan 8.380 nan 0.000 0.504 680 L N 0.591 121.925 121.223 0.185 0.000 2.089 680 L HA -0.201 5.166 4.340 1.712 0.000 0.213 680 L C 1.350 178.342 176.870 0.202 0.000 1.079 680 L CA 1.924 56.857 54.840 0.156 0.000 0.758 680 L CB -0.282 41.800 42.059 0.038 0.000 0.891 680 L HN 0.169 nan 8.230 nan 0.000 0.433 681 D N -1.121 119.378 120.400 0.165 0.000 2.127 681 D HA -0.295 5.372 4.640 1.712 0.000 0.190 681 D C 2.024 178.438 176.300 0.191 0.000 1.000 681 D CA 2.039 56.129 54.000 0.149 0.000 0.839 681 D CB -0.220 40.654 40.800 0.125 0.000 0.955 681 D HN 0.567 nan 8.370 nan 0.000 0.446 682 H N -0.967 118.170 119.070 0.112 0.000 2.502 682 H HA -0.024 5.559 4.556 1.711 0.000 0.283 682 H C 1.673 177.050 175.328 0.082 0.000 1.015 682 H CA 0.869 56.959 56.048 0.070 0.000 1.298 682 H CB -0.306 29.468 29.762 0.020 0.000 1.411 682 H HN 0.168 nan 8.280 nan 0.000 0.556 683 Y N 0.351 120.644 120.300 -0.011 0.000 2.151 683 Y HA -0.233 5.344 4.550 1.712 0.000 0.284 683 Y C 2.356 178.222 175.900 -0.057 0.000 1.166 683 Y CA 1.696 59.784 58.100 -0.020 0.000 1.163 683 Y CB 0.127 38.603 38.460 0.028 0.000 0.974 683 Y HN 0.142 nan 8.280 nan 0.000 0.511 684 R N -0.193 120.379 120.500 0.120 0.000 2.153 684 R HA -0.031 5.336 4.340 1.712 0.000 0.218 684 R C 1.486 177.790 176.300 0.007 0.000 1.072 684 R CA 0.758 56.890 56.100 0.054 0.000 0.990 684 R CB -0.625 29.713 30.300 0.063 0.000 0.889 684 R HN 0.444 nan 8.270 nan 0.000 0.452 685 N N 0.720 119.416 118.700 -0.008 0.000 2.354 685 N HA -0.079 5.688 4.740 1.712 0.000 0.179 685 N C 1.035 176.516 175.510 -0.049 0.000 1.021 685 N CA 1.149 54.202 53.050 0.006 0.000 0.887 685 N CB -0.009 38.555 38.487 0.127 0.000 0.974 685 N HN 0.147 nan 8.380 nan 0.000 0.437 686 S N -0.073 115.526 115.700 -0.168 0.000 2.602 686 S HA 0.099 5.596 4.470 1.712 0.000 0.246 686 S C 0.488 175.124 174.600 0.060 0.000 1.009 686 S CA -0.735 57.424 58.200 -0.068 0.000 1.052 686 S CB -0.691 62.396 63.200 -0.188 0.000 0.778 686 S HN 0.229 nan 8.310 nan 0.000 0.455 687 T N -1.739 112.809 114.554 -0.010 0.000 2.907 687 T HA 0.469 5.846 4.350 1.712 0.000 0.284 687 T C 1.189 175.869 174.700 -0.033 0.000 1.004 687 T CA -0.244 61.834 62.100 -0.038 0.000 1.063 687 T CB 1.554 70.371 68.868 -0.085 0.000 0.992 687 T HN 0.382 nan 8.240 nan 0.000 0.483 688 V N 3.189 123.076 119.914 -0.044 0.000 2.667 688 V HA -0.041 5.106 4.120 1.712 0.000 0.252 688 V C 2.124 178.184 176.094 -0.057 0.000 1.065 688 V CA 1.484 63.753 62.300 -0.052 0.000 1.083 688 V CB -1.089 30.693 31.823 -0.068 0.000 0.692 688 V HN 0.887 nan 8.190 nan 0.000 0.468 689 M N 2.240 121.792 119.600 -0.081 0.000 2.073 689 M HA -0.161 5.346 4.480 1.712 0.000 0.258 689 M C 2.522 178.795 176.300 -0.045 0.000 1.070 689 M CA 2.663 57.912 55.300 -0.084 0.000 1.103 689 M CB -1.113 31.450 32.600 -0.062 0.000 1.321 689 M HN 0.723 nan 8.290 nan 0.000 0.405 690 S N -0.249 115.435 115.700 -0.026 0.000 2.440 690 S HA -0.126 5.371 4.470 1.712 0.000 0.238 690 S C 1.710 176.315 174.600 0.009 0.000 1.010 690 S CA 0.908 59.103 58.200 -0.008 0.000 0.972 690 S CB -0.603 62.592 63.200 -0.007 0.000 0.774 690 S HN 0.538 nan 8.310 nan 0.000 0.501 691 R N 0.552 121.068 120.500 0.027 0.000 2.426 691 R HA 0.438 5.805 4.340 1.712 0.000 0.263 691 R C 1.927 178.334 176.300 0.178 0.000 0.961 691 R CA 0.420 56.557 56.100 0.062 0.000 1.086 691 R CB -0.162 30.159 30.300 0.035 0.000 1.186 691 R HN 0.515 nan 8.270 nan 0.000 0.537 692 A N 1.239 124.129 122.820 0.116 0.000 1.930 692 A HA -0.189 5.158 4.320 1.712 0.000 0.217 692 A C 2.024 179.706 177.584 0.162 0.000 1.175 692 A CA 1.306 53.410 52.037 0.112 0.000 0.627 692 A CB -0.104 18.853 19.000 -0.071 0.000 0.815 692 A HN 0.196 nan 8.150 nan 0.000 0.443 693 E N 1.092 121.348 120.200 0.093 0.000 2.118 693 E HA -0.185 5.191 4.350 1.712 0.000 0.195 693 E C 1.607 178.256 176.600 0.083 0.000 0.992 693 E CA 1.659 58.102 56.400 0.073 0.000 0.804 693 E CB -0.309 29.415 29.700 0.041 0.000 0.741 693 E HN 0.567 nan 8.360 nan 0.000 0.458 694 N N -0.337 118.402 118.700 0.066 0.000 2.289 694 N HA -0.134 5.633 4.740 1.712 0.000 0.184 694 N C 1.264 176.745 175.510 -0.047 0.000 1.016 694 N CA 0.727 53.765 53.050 -0.019 0.000 0.872 694 N CB -0.418 38.006 38.487 -0.106 0.000 0.973 694 N HN 0.231 nan 8.380 nan 0.000 0.433 695 F N 1.532 121.438 119.950 -0.072 0.000 2.449 695 F HA -0.074 5.479 4.527 1.710 0.000 0.299 695 F C 1.955 177.759 175.800 0.006 0.000 1.092 695 F CA 0.814 58.769 58.000 -0.074 0.000 1.446 695 F CB -0.130 38.777 39.000 -0.155 0.000 1.084 695 F HN -0.027 nan 8.300 nan 0.000 0.567 696 K N -0.106 120.388 120.400 0.158 0.000 2.442 696 K HA -0.197 5.150 4.320 1.712 0.000 0.199 696 K C 1.578 178.233 176.600 0.093 0.000 1.044 696 K CA 1.019 57.380 56.287 0.123 0.000 0.941 696 K CB -0.172 32.381 32.500 0.088 0.000 0.759 696 K HN 0.438 nan 8.250 nan 0.000 0.472 697 Q N -0.139 119.695 119.800 0.057 0.000 2.392 697 Q HA 0.036 5.403 4.340 1.712 0.000 0.203 697 Q C -0.040 175.996 176.000 0.061 0.000 0.917 697 Q CA 0.066 55.892 55.803 0.039 0.000 0.939 697 Q CB 0.911 29.647 28.738 -0.003 0.000 1.063 697 Q HN 0.116 nan 8.270 nan 0.000 0.516 698 V N -2.883 117.087 119.914 0.094 0.000 2.971 698 V HA 0.416 5.563 4.120 1.712 0.000 0.309 698 V C -1.127 175.124 176.094 0.262 0.000 1.130 698 V CA -1.230 61.156 62.300 0.143 0.000 0.964 698 V CB 2.216 34.084 31.823 0.075 0.000 1.029 698 V HN -0.021 nan 8.190 nan 0.000 0.427 699 E N 2.721 123.094 120.200 0.288 0.000 2.129 699 E HA 0.287 5.664 4.350 1.712 0.000 0.283 699 E C -1.704 175.297 176.600 0.668 0.000 1.080 699 E CA -0.152 56.498 56.400 0.417 0.000 0.867 699 E CB 1.102 30.962 29.700 0.267 0.000 1.056 699 E HN 0.692 nan 8.360 nan 0.000 0.404 700 Y N 3.963 124.534 120.300 0.451 0.000 2.328 700 Y HA 0.335 5.913 4.550 1.713 0.000 0.336 700 Y C -1.355 174.587 175.900 0.071 0.000 0.960 700 Y CA -1.409 56.880 58.100 0.315 0.000 1.134 700 Y CB 0.821 39.465 38.460 0.308 0.000 1.166 700 Y HN 0.391 nan 8.280 nan 0.000 0.464 701 L N 7.921 128.761 121.223 -0.639 0.000 2.287 701 L HA 0.593 5.960 4.340 1.712 0.000 0.287 701 L C -1.985 174.383 176.870 -0.836 0.000 1.022 701 L CA -0.773 53.529 54.840 -0.896 0.000 0.814 701 L CB 1.240 42.428 42.059 -1.451 0.000 1.217 701 L HN 0.655 nan 8.230 nan 0.000 0.420 702 L N 6.866 127.708 121.223 -0.634 0.000 2.316 702 L HA 0.644 6.011 4.340 1.712 0.000 0.280 702 L C -1.129 175.594 176.870 -0.245 0.000 1.006 702 L CA -0.025 54.497 54.840 -0.530 0.000 0.836 702 L CB 1.033 42.778 42.059 -0.524 0.000 1.221 702 L HN 0.575 nan 8.230 nan 0.000 0.418 703 I N 4.408 124.840 120.570 -0.230 0.000 2.441 703 I HA 0.488 5.685 4.170 1.712 0.000 0.295 703 I C -0.858 175.214 176.117 -0.075 0.000 0.994 703 I CA -0.595 60.618 61.300 -0.145 0.000 1.144 703 I CB 1.724 39.612 38.000 -0.187 0.000 1.314 703 I HN 0.652 nan 8.210 nan 0.000 0.445 704 H N 2.378 121.475 119.070 0.046 0.000 3.087 704 H HA 0.439 6.024 4.556 1.715 0.000 0.348 704 H C -0.292 175.259 175.328 0.371 0.000 1.092 704 H CA -0.612 55.532 56.048 0.159 0.000 1.285 704 H CB 1.771 31.584 29.762 0.085 0.000 1.875 704 H HN 0.755 nan 8.280 nan 0.000 0.512 705 G N 1.442 110.545 108.800 0.505 0.000 2.380 705 G HA2 0.169 5.156 3.960 1.712 0.000 0.262 705 G HA3 0.169 5.156 3.960 1.712 0.000 0.262 705 G C 1.203 176.343 174.900 0.402 0.000 1.243 705 G CA 0.177 45.539 45.100 0.436 0.000 0.865 705 G HN 0.768 nan 8.290 nan 0.000 0.513 706 T N -0.288 114.363 114.554 0.161 0.000 2.915 706 T HA 0.027 5.403 4.350 1.712 0.000 0.269 706 T C 1.617 176.257 174.700 -0.100 0.000 1.071 706 T CA 1.330 63.330 62.100 -0.168 0.000 1.132 706 T CB 0.121 68.854 68.868 -0.225 0.000 0.878 706 T HN 0.747 nan 8.240 nan 0.000 0.479 707 A N 1.225 124.062 122.820 0.028 0.000 3.003 707 A HA 0.357 5.704 4.320 1.712 0.000 0.301 707 A C 0.164 177.707 177.584 -0.068 0.000 1.280 707 A CA -0.566 51.464 52.037 -0.012 0.000 0.973 707 A CB -0.289 18.972 19.000 0.435 0.000 1.110 707 A HN 0.365 nan 8.150 nan 0.000 0.590 708 D N 1.365 121.711 120.400 -0.090 0.000 2.365 708 D HA 0.032 5.699 4.640 1.712 0.000 0.237 708 D C 0.436 176.685 176.300 -0.086 0.000 1.190 708 D CA -0.087 53.977 54.000 0.107 0.000 0.867 708 D CB 0.759 41.782 40.800 0.372 0.000 1.050 708 D HN 0.558 nan 8.370 nan 0.000 0.491 709 D N 2.433 122.837 120.400 0.007 0.000 2.277 709 D HA -0.136 5.531 4.640 1.712 0.000 0.208 709 D C 1.091 177.387 176.300 -0.006 0.000 0.962 709 D CA 0.297 54.243 54.000 -0.090 0.000 0.865 709 D CB 0.202 40.870 40.800 -0.221 0.000 0.939 709 D HN 0.428 nan 8.370 nan 0.000 0.510 710 N N 0.085 118.904 118.700 0.199 0.000 2.202 710 N HA -0.050 5.717 4.740 1.712 0.000 0.191 710 N C -0.144 175.404 175.510 0.064 0.000 1.054 710 N CA 0.455 53.667 53.050 0.270 0.000 0.877 710 N CB 0.513 39.079 38.487 0.131 0.000 1.057 710 N HN -0.161 nan 8.380 nan 0.000 0.456 711 V N 2.082 121.969 119.914 -0.046 0.000 2.334 711 V HA 0.175 5.322 4.120 1.712 0.000 0.267 711 V C -0.819 175.338 176.094 0.104 0.000 1.040 711 V CA -0.250 62.024 62.300 -0.042 0.000 0.866 711 V CB 0.107 31.898 31.823 -0.054 0.000 1.019 711 V HN 0.349 nan 8.190 nan 0.000 0.468 712 H N 3.444 122.483 119.070 -0.053 0.000 2.707 712 H HA 0.056 5.639 4.556 1.711 0.000 0.359 712 H C 0.776 175.963 175.328 -0.235 0.000 1.113 712 H CA -0.347 55.602 56.048 -0.166 0.000 1.422 712 H CB 0.864 30.442 29.762 -0.308 0.000 1.443 712 H HN 0.628 nan 8.280 nan 0.000 0.591 713 F N 1.854 121.610 119.950 -0.323 0.000 2.225 713 F HA -0.322 5.231 4.527 1.709 0.000 0.302 713 F C 2.561 178.058 175.800 -0.504 0.000 1.068 713 F CA 1.758 59.349 58.000 -0.680 0.000 1.327 713 F CB -0.172 38.615 39.000 -0.355 0.000 1.043 713 F HN 0.658 nan 8.300 nan 0.000 0.506 714 Q N 0.195 119.837 119.800 -0.263 0.000 2.096 714 Q HA -0.318 5.049 4.340 1.712 0.000 0.208 714 Q C 2.116 177.846 176.000 -0.449 0.000 0.993 714 Q CA 2.394 57.992 55.803 -0.341 0.000 0.862 714 Q CB -0.372 28.150 28.738 -0.360 0.000 0.915 714 Q HN 0.600 nan 8.270 nan 0.000 0.416 715 Q N -0.441 119.130 119.800 -0.381 0.000 2.124 715 Q HA -0.122 5.245 4.340 1.712 0.000 0.202 715 Q C 2.280 178.141 176.000 -0.233 0.000 0.977 715 Q CA 1.588 57.288 55.803 -0.171 0.000 0.850 715 Q CB -0.051 28.666 28.738 -0.035 0.000 0.901 715 Q HN 0.310 nan 8.270 nan 0.000 0.429 716 S N 0.494 115.909 115.700 -0.475 0.000 2.377 716 S HA -0.030 5.467 4.470 1.712 0.000 0.223 716 S C 2.076 176.372 174.600 -0.506 0.000 1.030 716 S CA 0.740 58.668 58.200 -0.454 0.000 0.970 716 S CB -0.153 62.740 63.200 -0.512 0.000 0.830 716 S HN 0.484 nan 8.310 nan 0.000 0.473 717 A N 1.522 123.904 122.820 -0.730 0.000 1.948 717 A HA -0.201 5.146 4.320 1.712 0.000 0.220 717 A C 2.112 179.568 177.584 -0.214 0.000 1.177 717 A CA 1.435 53.220 52.037 -0.419 0.000 0.636 717 A CB -0.544 18.282 19.000 -0.291 0.000 0.815 717 A HN 0.413 nan 8.150 nan 0.000 0.449 718 Q N -0.507 119.175 119.800 -0.196 0.000 2.079 718 Q HA -0.055 5.312 4.340 1.712 0.000 0.200 718 Q C 2.191 178.124 176.000 -0.111 0.000 0.974 718 Q CA 1.236 56.984 55.803 -0.090 0.000 0.840 718 Q CB -0.419 28.339 28.738 0.034 0.000 0.898 718 Q HN 0.787 nan 8.270 nan 0.000 0.430 719 I N 1.324 121.799 120.570 -0.158 0.000 2.163 719 I HA -0.321 4.876 4.170 1.712 0.000 0.243 719 I C 2.618 178.559 176.117 -0.293 0.000 1.085 719 I CA 1.592 62.751 61.300 -0.236 0.000 1.347 719 I CB -0.450 37.407 38.000 -0.238 0.000 1.044 719 I HN 0.214 nan 8.210 nan 0.000 0.408 720 S N 0.822 116.391 115.700 -0.218 0.000 2.368 720 S HA -0.282 5.215 4.470 1.712 0.000 0.225 720 S C 2.042 176.637 174.600 -0.008 0.000 1.030 720 S CA 1.518 59.663 58.200 -0.091 0.000 0.999 720 S CB -0.414 62.864 63.200 0.131 0.000 0.844 720 S HN 0.358 nan 8.310 nan 0.000 0.459 721 K N 1.747 122.127 120.400 -0.035 0.000 2.032 721 K HA 0.004 5.351 4.320 1.712 0.000 0.209 721 K C 2.307 178.891 176.600 -0.028 0.000 1.048 721 K CA 1.331 57.611 56.287 -0.011 0.000 0.927 721 K CB -0.809 31.677 32.500 -0.023 0.000 0.712 721 K HN 0.458 nan 8.250 nan 0.000 0.441 722 A N 0.859 123.631 122.820 -0.080 0.000 1.902 722 A HA -0.121 5.225 4.320 1.712 0.000 0.217 722 A C 2.123 179.647 177.584 -0.101 0.000 1.181 722 A CA 1.466 53.450 52.037 -0.090 0.000 0.623 722 A CB -0.661 18.265 19.000 -0.123 0.000 0.818 722 A HN 0.338 nan 8.150 nan 0.000 0.443 723 L N -0.618 120.496 121.223 -0.181 0.000 2.083 723 L HA -0.149 5.218 4.340 1.712 0.000 0.209 723 L C 2.481 179.387 176.870 0.061 0.000 1.083 723 L CA 0.876 55.623 54.840 -0.154 0.000 0.752 723 L CB -0.522 41.261 42.059 -0.459 0.000 0.899 723 L HN 0.240 nan 8.230 nan 0.000 0.433 724 V N -0.266 119.716 119.914 0.113 0.000 2.343 724 V HA -0.276 4.871 4.120 1.712 0.000 0.247 724 V C 1.856 177.988 176.094 0.064 0.000 1.051 724 V CA 1.838 64.212 62.300 0.122 0.000 1.036 724 V CB -0.484 31.404 31.823 0.109 0.000 0.654 724 V HN 0.435 nan 8.190 nan 0.000 0.451 725 D N 0.083 120.502 120.400 0.033 0.000 2.348 725 D HA -0.062 5.605 4.640 1.712 0.000 0.216 725 D C 1.580 177.895 176.300 0.025 0.000 0.970 725 D CA 1.363 55.377 54.000 0.022 0.000 0.889 725 D CB 0.150 40.955 40.800 0.009 0.000 0.912 725 D HN 0.572 nan 8.370 nan 0.000 0.524 726 V N -4.089 115.843 119.914 0.031 0.000 3.276 726 V HA 0.517 5.664 4.120 1.712 0.000 0.319 726 V C 1.210 177.337 176.094 0.055 0.000 1.427 726 V CA 0.194 62.516 62.300 0.037 0.000 1.102 726 V CB 0.062 31.904 31.823 0.032 0.000 1.020 726 V HN 0.091 nan 8.190 nan 0.000 0.456 727 G N 0.791 109.630 108.800 0.065 0.000 2.249 727 G HA2 -0.205 4.781 3.960 1.712 0.000 0.273 727 G HA3 -0.205 4.781 3.960 1.712 0.000 0.273 727 G C 0.037 175.001 174.900 0.106 0.000 1.036 727 G CA 0.416 45.562 45.100 0.077 0.000 0.824 727 G HN 0.884 nan 8.290 nan 0.000 0.504 728 V N 0.377 120.375 119.914 0.140 0.000 2.432 728 V HA 0.365 5.512 4.120 1.712 0.000 0.275 728 V C 0.604 176.877 176.094 0.299 0.000 1.043 728 V CA -0.370 62.046 62.300 0.193 0.000 0.925 728 V CB 1.571 33.502 31.823 0.181 0.000 0.985 728 V HN 0.434 nan 8.190 nan 0.000 0.466 729 D N 4.024 124.573 120.400 0.248 0.000 2.304 729 D HA 0.599 6.266 4.640 1.712 0.000 0.247 729 D C -0.585 175.946 176.300 0.385 0.000 1.089 729 D CA 0.205 54.338 54.000 0.222 0.000 0.910 729 D CB 0.693 41.558 40.800 0.108 0.000 1.199 729 D HN 0.400 nan 8.370 nan 0.000 0.426 730 F N -0.457 119.552 119.950 0.099 0.000 2.713 730 F HA 0.420 5.973 4.527 1.710 0.000 0.311 730 F C -1.380 174.442 175.800 0.038 0.000 1.141 730 F CA -1.266 56.803 58.000 0.115 0.000 0.939 730 F CB 0.835 39.930 39.000 0.159 0.000 1.325 730 F HN 0.016 nan 8.300 nan 0.000 0.453 731 Q N 1.799 121.657 119.800 0.096 0.000 2.261 731 Q HA 0.730 6.097 4.340 1.712 0.000 0.252 731 Q C -0.524 175.438 176.000 -0.062 0.000 0.915 731 Q CA -0.328 55.428 55.803 -0.078 0.000 0.915 731 Q CB 1.707 30.357 28.738 -0.148 0.000 1.204 731 Q HN 0.965 nan 8.270 nan 0.000 0.421 732 A N 2.408 125.161 122.820 -0.111 0.000 2.469 732 A HA 0.865 6.212 4.320 1.712 0.000 0.299 732 A C -1.117 176.381 177.584 -0.144 0.000 1.098 732 A CA -0.638 51.370 52.037 -0.047 0.000 0.737 732 A CB 1.829 20.870 19.000 0.069 0.000 1.312 732 A HN 0.636 nan 8.150 nan 0.000 0.414 733 M N 1.443 120.936 119.600 -0.179 0.000 2.274 733 M HA 0.566 6.073 4.480 1.712 0.000 0.272 733 M C -1.995 174.129 176.300 -0.293 0.000 1.053 733 M CA -0.469 54.575 55.300 -0.427 0.000 0.978 733 M CB 1.134 33.328 32.600 -0.677 0.000 1.836 733 M HN 0.957 nan 8.290 nan 0.000 0.484 734 W N 4.490 125.588 121.300 -0.336 0.000 2.516 734 W HA 0.783 6.471 4.660 1.714 0.000 0.343 734 W C -2.090 174.129 176.519 -0.501 0.000 1.094 734 W CA -0.824 56.406 57.345 -0.192 0.000 1.250 734 W CB 0.420 29.851 29.460 -0.047 0.000 1.308 734 W HN 0.605 nan 8.180 nan 0.000 0.588 735 Y N 2.370 122.777 120.300 0.180 0.000 2.388 735 Y HA 0.310 5.891 4.550 1.717 0.000 0.328 735 Y C 0.498 176.499 175.900 0.167 0.000 0.963 735 Y CA -1.227 56.899 58.100 0.043 0.000 1.240 735 Y CB 1.315 39.770 38.460 -0.007 0.000 1.118 735 Y HN 0.420 nan 8.280 nan 0.000 0.484 736 T N 4.497 119.226 114.554 0.292 0.000 2.831 736 T HA -0.002 5.374 4.350 1.712 0.000 0.291 736 T C 0.199 174.963 174.700 0.105 0.000 0.981 736 T CA 0.638 62.850 62.100 0.187 0.000 1.174 736 T CB -0.043 68.882 68.868 0.095 0.000 0.929 736 T HN 0.737 nan 8.240 nan 0.000 0.532 737 D N 0.153 120.580 120.400 0.045 0.000 2.705 737 D HA -0.130 5.537 4.640 1.712 0.000 0.187 737 D C 0.313 176.715 176.300 0.170 0.000 1.015 737 D CA 1.300 55.266 54.000 -0.058 0.000 1.030 737 D CB -0.545 40.015 40.800 -0.401 0.000 1.100 737 D HN 0.550 nan 8.370 nan 0.000 0.439 738 E N 1.499 121.814 120.200 0.193 0.000 2.413 738 E HA 0.237 5.614 4.350 1.712 0.000 0.263 738 E C 0.824 177.583 176.600 0.264 0.000 1.015 738 E CA 0.269 56.803 56.400 0.223 0.000 0.916 738 E CB 0.631 30.450 29.700 0.197 0.000 0.947 738 E HN 0.486 nan 8.360 nan 0.000 0.440 739 D N 0.328 120.900 120.400 0.287 0.000 2.541 739 D HA -0.001 5.666 4.640 1.712 0.000 0.276 739 D C 1.119 177.632 176.300 0.355 0.000 1.190 739 D CA -0.188 54.006 54.000 0.324 0.000 1.095 739 D CB -0.274 40.750 40.800 0.373 0.000 1.173 739 D HN 0.430 nan 8.370 nan 0.000 0.604 740 H N -1.422 117.820 119.070 0.285 0.000 2.422 740 H HA 0.064 5.650 4.556 1.716 0.000 0.298 740 H C 1.911 177.496 175.328 0.429 0.000 1.098 740 H CA 2.338 58.577 56.048 0.319 0.000 1.315 740 H CB -0.458 29.473 29.762 0.282 0.000 1.382 740 H HN 0.490 nan 8.280 nan 0.000 0.523 741 G N -0.177 108.772 108.800 0.249 0.000 2.712 741 G HA2 0.000 4.987 3.960 1.712 0.000 0.212 741 G HA3 0.000 4.987 3.960 1.712 0.000 0.212 741 G C 0.583 175.644 174.900 0.268 0.000 1.142 741 G CA 0.277 45.431 45.100 0.091 0.000 0.789 741 G HN 0.538 nan 8.290 nan 0.000 0.535 742 I N 0.055 120.829 120.570 0.339 0.000 3.815 742 I HA -0.335 4.862 4.170 1.712 0.000 0.126 742 I C 1.585 177.823 176.117 0.201 0.000 1.050 742 I CA 0.158 61.603 61.300 0.242 0.000 2.736 742 I CB -1.155 36.962 38.000 0.195 0.000 1.417 742 I HN 0.259 nan 8.210 nan 0.000 0.341 743 A N 1.721 124.630 122.820 0.149 0.000 2.303 743 A HA 0.220 5.567 4.320 1.712 0.000 0.217 743 A C 1.208 178.830 177.584 0.063 0.000 1.205 743 A CA 0.599 52.689 52.037 0.088 0.000 0.875 743 A CB 0.167 19.193 19.000 0.044 0.000 0.910 743 A HN 0.670 nan 8.150 nan 0.000 0.501 744 S N -0.101 115.650 115.700 0.085 0.000 2.560 744 S HA 0.151 5.648 4.470 1.712 0.000 0.284 744 S C 1.180 175.819 174.600 0.065 0.000 1.327 744 S CA 0.376 58.619 58.200 0.072 0.000 1.055 744 S CB 1.058 64.309 63.200 0.085 0.000 0.868 744 S HN 0.488 nan 8.310 nan 0.000 0.506 745 S N 2.708 118.434 115.700 0.044 0.000 2.378 745 S HA -0.226 5.271 4.470 1.712 0.000 0.229 745 S C 2.012 176.658 174.600 0.077 0.000 1.052 745 S CA 2.478 60.703 58.200 0.041 0.000 1.084 745 S CB -1.483 61.729 63.200 0.020 0.000 0.950 745 S HN 1.091 nan 8.310 nan 0.000 0.440 746 T N -1.074 113.518 114.554 0.062 0.000 3.043 746 T HA 0.399 5.776 4.350 1.712 0.000 0.263 746 T C 1.841 176.581 174.700 0.066 0.000 1.094 746 T CA 0.946 63.085 62.100 0.064 0.000 1.127 746 T CB -0.445 68.455 68.868 0.055 0.000 0.905 746 T HN 0.448 nan 8.240 nan 0.000 0.490 747 A N 1.634 124.474 122.820 0.032 0.000 1.897 747 A HA -0.028 5.319 4.320 1.712 0.000 0.215 747 A C 2.171 179.690 177.584 -0.108 0.000 1.181 747 A CA 1.729 53.710 52.037 -0.093 0.000 0.620 747 A CB -1.195 17.734 19.000 -0.119 0.000 0.821 747 A HN 0.711 nan 8.150 nan 0.000 0.443 748 H N -0.158 118.881 119.070 -0.053 0.000 2.387 748 H HA -0.114 5.447 4.556 1.676 0.000 0.299 748 H C 2.041 177.435 175.328 0.109 0.000 1.099 748 H CA 2.251 58.332 56.048 0.055 0.000 1.315 748 H CB -0.116 29.682 29.762 0.060 0.000 1.380 748 H HN 0.572 nan 8.280 nan 0.000 0.513 749 Q N -1.099 118.711 119.800 0.015 0.000 2.123 749 Q HA -0.145 5.222 4.340 1.712 0.000 0.199 749 Q C 2.064 178.052 176.000 -0.020 0.000 0.966 749 Q CA 1.024 56.794 55.803 -0.055 0.000 0.845 749 Q CB -0.081 28.656 28.738 -0.003 0.000 0.907 749 Q HN 0.634 nan 8.270 nan 0.000 0.439 750 H N 0.903 119.943 119.070 -0.050 0.000 2.326 750 H HA -0.077 5.506 4.556 1.712 0.000 0.301 750 H C 2.044 177.383 175.328 0.020 0.000 1.081 750 H CA 1.327 57.383 56.048 0.013 0.000 1.334 750 H CB 0.002 29.814 29.762 0.083 0.000 1.385 750 H HN 0.272 nan 8.280 nan 0.000 0.504 751 I N 0.096 120.684 120.570 0.030 0.000 2.226 751 I HA -0.325 4.872 4.170 1.712 0.000 0.245 751 I C 1.811 177.747 176.117 -0.302 0.000 1.100 751 I CA 1.344 62.589 61.300 -0.090 0.000 1.374 751 I CB -0.277 37.494 38.000 -0.381 0.000 1.057 751 I HN 0.138 nan 8.210 nan 0.000 0.413 752 Y N 0.655 120.758 120.300 -0.329 0.000 2.314 752 Y HA -0.178 5.458 4.550 1.810 0.000 0.293 752 Y C 2.646 178.344 175.900 -0.335 0.000 1.129 752 Y CA 1.700 59.482 58.100 -0.530 0.000 1.201 752 Y CB -0.629 37.510 38.460 -0.535 0.000 0.999 752 Y HN 0.156 nan 8.280 nan 0.000 0.541 753 T N -1.552 112.943 114.554 -0.098 0.000 2.708 753 T HA -0.240 5.137 4.350 1.712 0.000 0.266 753 T C 1.507 176.142 174.700 -0.109 0.000 1.037 753 T CA 1.909 63.924 62.100 -0.142 0.000 1.146 753 T CB -0.475 68.305 68.868 -0.148 0.000 0.865 753 T HN 0.416 nan 8.240 nan 0.000 0.435 754 H N 0.707 119.703 119.070 -0.124 0.000 2.293 754 H HA 0.087 5.668 4.556 1.708 0.000 0.300 754 H C 2.302 177.639 175.328 0.016 0.000 1.082 754 H CA 1.710 57.756 56.048 -0.004 0.000 1.308 754 H CB -0.310 29.441 29.762 -0.019 0.000 1.375 754 H HN 0.184 nan 8.280 nan 0.000 0.495 755 M N -0.654 118.919 119.600 -0.046 0.000 2.144 755 M HA -0.226 5.281 4.480 1.712 0.000 0.260 755 M C 2.432 178.813 176.300 0.135 0.000 1.067 755 M CA 1.755 56.992 55.300 -0.105 0.000 1.095 755 M CB 0.007 32.250 32.600 -0.596 0.000 1.365 755 M HN 0.235 nan 8.290 nan 0.000 0.406 756 S N -0.915 114.879 115.700 0.157 0.000 2.368 756 S HA -0.184 5.312 4.470 1.712 0.000 0.225 756 S C 1.508 176.193 174.600 0.141 0.000 1.030 756 S CA 1.357 59.757 58.200 0.334 0.000 0.999 756 S CB -0.557 62.831 63.200 0.313 0.000 0.844 756 S HN 0.575 nan 8.310 nan 0.000 0.459 757 H N -0.675 118.449 119.070 0.091 0.000 2.353 757 H HA -0.062 5.527 4.556 1.722 0.000 0.300 757 H C 1.905 177.240 175.328 0.012 0.000 1.090 757 H CA 1.771 57.829 56.048 0.016 0.000 1.327 757 H CB -0.206 29.503 29.762 -0.087 0.000 1.383 757 H HN 0.378 nan 8.280 nan 0.000 0.508 758 F N 0.836 120.780 119.950 -0.011 0.000 2.134 758 F HA -0.190 5.361 4.527 1.706 0.000 0.299 758 F C 1.982 177.748 175.800 -0.057 0.000 1.097 758 F CA 0.930 58.896 58.000 -0.057 0.000 1.264 758 F CB -0.182 38.766 39.000 -0.087 0.000 1.001 758 F HN 0.052 nan 8.300 nan 0.000 0.479 759 I N 0.571 121.112 120.570 -0.049 0.000 2.202 759 I HA -0.254 4.943 4.170 1.712 0.000 0.242 759 I C 2.378 178.351 176.117 -0.240 0.000 1.091 759 I CA 1.389 62.526 61.300 -0.272 0.000 1.368 759 I CB -1.339 36.623 38.000 -0.064 0.000 1.058 759 I HN 0.154 nan 8.210 nan 0.000 0.410 760 K N 0.652 121.040 120.400 -0.021 0.000 2.103 760 K HA -0.252 5.095 4.320 1.712 0.000 0.207 760 K C 2.074 178.689 176.600 0.025 0.000 1.048 760 K CA 1.846 58.166 56.287 0.054 0.000 0.930 760 K CB 0.045 32.614 32.500 0.113 0.000 0.716 760 K HN 0.453 nan 8.250 nan 0.000 0.444 761 Q N -0.460 119.314 119.800 -0.043 0.000 2.250 761 Q HA -0.071 5.296 4.340 1.712 0.000 0.200 761 Q C 2.154 178.083 176.000 -0.119 0.000 0.941 761 Q CA 1.295 57.065 55.803 -0.054 0.000 0.872 761 Q CB -0.806 27.904 28.738 -0.046 0.000 0.965 761 Q HN 0.304 nan 8.270 nan 0.000 0.480 762 c N -0.119 118.302 118.600 -0.298 0.000 2.425 762 c HA 0.016 5.613 4.570 1.712 0.000 0.277 762 c C 1.663 175.722 174.090 -0.052 0.000 1.280 762 c CA 0.431 56.562 56.329 -0.329 0.000 1.744 762 c CB -1.160 40.945 42.510 -0.675 0.000 1.989 762 c HN 0.607 nan 8.230 nan 0.000 0.491 763 F N 1.854 121.760 119.950 -0.072 0.000 2.797 763 F HA 0.207 5.758 4.527 1.706 0.000 0.302 763 F C 1.775 177.561 175.800 -0.023 0.000 1.130 763 F CA 0.677 58.658 58.000 -0.030 0.000 1.387 763 F CB -0.953 38.039 39.000 -0.015 0.000 1.107 763 F HN 0.332 nan 8.300 nan 0.000 0.577 764 S N -0.065 115.720 115.700 0.143 0.000 3.490 764 S HA -0.225 5.272 4.470 1.712 0.000 0.301 764 S C 0.106 174.751 174.600 0.074 0.000 1.233 764 S CA 0.025 58.272 58.200 0.078 0.000 0.914 764 S CB -2.430 60.806 63.200 0.059 0.000 1.047 764 S HN 0.240 nan 8.310 nan 0.000 0.602 765 L N 2.752 124.035 121.223 0.100 0.000 2.313 765 L HA 0.353 5.720 4.340 1.712 0.000 0.282 765 L C -1.019 175.895 176.870 0.073 0.000 1.092 765 L CA -1.868 53.022 54.840 0.083 0.000 0.831 765 L CB 0.165 42.288 42.059 0.105 0.000 1.159 765 L HN 0.036 nan 8.230 nan 0.000 0.442 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.134 63.100 0.057 0.000 0.800 766 P CB 0.000 31.728 31.700 0.046 0.000 0.726