REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3ccb_1_D 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 0.000 176.675 176.600 0.124 0.000 0.988 41 K CA 0.000 56.354 56.287 0.112 0.000 0.838 41 K CB 0.000 32.577 32.500 0.128 0.000 1.064 42 T N -2.263 112.377 114.554 0.143 0.000 2.949 42 T HA 0.353 4.704 4.350 0.000 0.000 0.287 42 T C -0.874 173.961 174.700 0.226 0.000 1.034 42 T CA -0.760 61.440 62.100 0.166 0.000 1.018 42 T CB 0.932 69.896 68.868 0.160 0.000 1.135 42 T HN 0.523 nan 8.240 nan 0.000 0.532 43 Y N 2.917 123.287 120.300 0.117 0.000 2.624 43 Y HA 0.359 4.909 4.550 0.000 0.000 0.354 43 Y C 1.000 177.064 175.900 0.274 0.000 1.051 43 Y CA -0.252 57.954 58.100 0.178 0.000 1.377 43 Y CB -0.320 38.198 38.460 0.097 0.000 1.168 43 Y HN 1.004 nan 8.280 nan 0.000 0.525 44 T N 2.173 116.743 114.554 0.027 0.000 2.824 44 T HA 0.111 4.461 4.350 0.000 0.000 0.277 44 T C 1.025 175.619 174.700 -0.178 0.000 0.975 44 T CA -0.658 61.494 62.100 0.086 0.000 0.966 44 T CB 1.162 70.046 68.868 0.026 0.000 1.054 44 T HN 0.684 nan 8.240 nan 0.000 0.533 45 L N 0.927 121.832 121.223 -0.530 0.000 2.042 45 L HA -0.002 4.338 4.340 0.000 0.000 0.210 45 L C 2.611 179.316 176.870 -0.275 0.000 1.076 45 L CA 2.184 56.583 54.840 -0.735 0.000 0.749 45 L CB -1.490 40.032 42.059 -0.895 0.000 0.893 45 L HN 0.953 nan 8.230 nan 0.000 0.432 46 T N -0.569 113.860 114.554 -0.208 0.000 2.788 46 T HA -0.159 4.191 4.350 0.000 0.000 0.268 46 T C 1.503 176.108 174.700 -0.158 0.000 1.044 46 T CA 1.394 63.408 62.100 -0.144 0.000 1.139 46 T CB -0.398 68.411 68.868 -0.099 0.000 0.867 46 T HN 0.409 nan 8.240 nan 0.000 0.454 47 D N 0.282 120.556 120.400 -0.210 0.000 2.104 47 D HA -0.114 4.526 4.640 0.000 0.000 0.194 47 D C 1.769 177.949 176.300 -0.199 0.000 0.994 47 D CA 1.193 55.033 54.000 -0.267 0.000 0.830 47 D CB -0.434 40.110 40.800 -0.428 0.000 0.959 47 D HN 0.443 nan 8.370 nan 0.000 0.452 48 Y N 1.476 121.574 120.300 -0.337 0.000 2.181 48 Y HA -0.112 4.438 4.550 0.000 0.000 0.288 48 Y C 2.194 178.090 175.900 -0.006 0.000 1.146 48 Y CA 1.204 59.284 58.100 -0.033 0.000 1.164 48 Y CB -0.491 38.024 38.460 0.092 0.000 0.982 48 Y HN -0.083 nan 8.280 nan 0.000 0.515 49 L N -0.296 120.759 121.223 -0.280 0.000 2.156 49 L HA -0.132 4.208 4.340 0.000 0.000 0.208 49 L C 1.737 178.493 176.870 -0.190 0.000 1.095 49 L CA 1.432 56.082 54.840 -0.316 0.000 0.770 49 L CB -0.362 41.584 42.059 -0.189 0.000 0.914 49 L HN 0.005 nan 8.230 nan 0.000 0.439 50 K N -0.031 120.281 120.400 -0.146 0.000 2.372 50 K HA 0.114 4.434 4.320 0.000 0.000 0.200 50 K C -0.034 176.508 176.600 -0.096 0.000 1.022 50 K CA -0.118 56.105 56.287 -0.107 0.000 1.125 50 K CB -0.067 32.375 32.500 -0.097 0.000 0.855 50 K HN 0.058 nan 8.250 nan 0.000 0.524 51 N N -0.276 118.372 118.700 -0.087 0.000 2.725 51 N HA -0.206 4.534 4.740 0.000 0.000 0.251 51 N C 0.055 175.536 175.510 -0.049 0.000 1.031 51 N CA 0.876 53.912 53.050 -0.024 0.000 0.720 51 N CB -0.878 37.595 38.487 -0.023 0.000 0.930 51 N HN 0.173 nan 8.380 nan 0.000 0.543 52 T N -1.076 113.398 114.554 -0.134 0.000 2.720 52 T HA -0.192 4.158 4.350 0.000 0.000 0.268 52 T C 0.394 174.849 174.700 -0.409 0.000 1.037 52 T CA 1.445 63.331 62.100 -0.357 0.000 1.144 52 T CB -0.146 68.359 68.868 -0.605 0.000 0.864 52 T HN 0.367 nan 8.240 nan 0.000 0.444 53 Y N 2.307 122.698 120.300 0.152 0.000 2.721 53 Y HA 0.405 4.955 4.550 0.000 0.000 0.328 53 Y C 0.480 176.489 175.900 0.181 0.000 1.003 53 Y CA -1.162 57.053 58.100 0.191 0.000 1.275 53 Y CB 0.246 38.880 38.460 0.290 0.000 1.097 53 Y HN -0.107 nan 8.280 nan 0.000 0.514 54 R N 2.824 123.452 120.500 0.213 0.000 2.441 54 R HA 0.424 4.764 4.340 0.000 0.000 0.284 54 R C -0.791 175.617 176.300 0.179 0.000 1.070 54 R CA -0.751 55.447 56.100 0.163 0.000 1.047 54 R CB 1.301 31.655 30.300 0.090 0.000 1.016 54 R HN 0.588 nan 8.270 nan 0.000 0.477 55 L N 3.264 124.588 121.223 0.169 0.000 2.261 55 L HA 0.249 4.590 4.340 0.000 0.000 0.289 55 L C 0.184 177.128 176.870 0.123 0.000 1.059 55 L CA -0.634 54.308 54.840 0.170 0.000 0.816 55 L CB 0.755 42.934 42.059 0.200 0.000 1.191 55 L HN 0.285 nan 8.230 nan 0.000 0.431 56 K N 3.051 123.515 120.400 0.107 0.000 2.412 56 K HA 0.337 4.657 4.320 0.000 0.000 0.281 56 K C -0.549 176.055 176.600 0.008 0.000 1.027 56 K CA 0.043 56.367 56.287 0.061 0.000 0.989 56 K CB 0.566 33.105 32.500 0.066 0.000 0.935 56 K HN 0.275 nan 8.250 nan 0.000 0.475 57 L N 2.453 123.630 121.223 -0.076 0.000 2.365 57 L HA 0.385 4.725 4.340 0.000 0.000 0.267 57 L C -0.481 176.135 176.870 -0.423 0.000 1.033 57 L CA -0.413 54.243 54.840 -0.306 0.000 0.802 57 L CB 0.532 42.525 42.059 -0.109 0.000 1.267 57 L HN 0.526 nan 8.230 nan 0.000 0.457 58 Y N 0.222 119.944 120.300 -0.963 0.000 2.470 58 Y HA 0.326 4.876 4.550 0.000 0.000 0.352 58 Y C 0.132 175.869 175.900 -0.272 0.000 0.967 58 Y CA -0.392 57.387 58.100 -0.534 0.000 1.121 58 Y CB 1.069 39.090 38.460 -0.731 0.000 1.149 58 Y HN 0.512 nan 8.280 nan 0.000 0.641 59 S N 3.513 119.166 115.700 -0.078 0.000 2.443 59 S HA 0.422 4.892 4.470 0.000 0.000 0.284 59 S C -0.443 174.138 174.600 -0.031 0.000 1.206 59 S CA -0.447 57.746 58.200 -0.011 0.000 1.074 59 S CB -0.767 62.436 63.200 0.005 0.000 0.963 59 S HN 0.543 nan 8.310 nan 0.000 0.501 60 L N 4.026 125.194 121.223 -0.092 0.000 2.286 60 L HA 0.863 5.203 4.340 0.000 0.000 0.265 60 L C -0.376 176.421 176.870 -0.123 0.000 1.012 60 L CA -0.864 53.862 54.840 -0.191 0.000 0.818 60 L CB 1.313 42.972 42.059 -0.667 0.000 1.337 60 L HN 0.590 nan 8.230 nan 0.000 0.438 61 R N 0.087 120.540 120.500 -0.079 0.000 2.510 61 R HA 0.386 4.726 4.340 0.000 0.000 0.294 61 R C -2.100 174.252 176.300 0.087 0.000 1.056 61 R CA -0.537 55.586 56.100 0.039 0.000 0.918 61 R CB 0.354 30.715 30.300 0.101 0.000 1.187 61 R HN 0.746 nan 8.270 nan 0.000 0.437 62 W N 3.689 125.113 121.300 0.207 0.000 2.368 62 W HA 0.170 4.831 4.660 0.000 0.000 0.316 62 W C 1.194 177.814 176.519 0.169 0.000 1.375 62 W CA -0.687 56.791 57.345 0.222 0.000 1.261 62 W CB 0.471 30.053 29.460 0.204 0.000 1.298 62 W HN 0.517 nan 8.180 nan 0.000 0.539 63 I N 1.899 122.684 120.570 0.359 0.000 2.400 63 I HA -0.085 4.085 4.170 0.000 0.000 0.248 63 I C 1.481 177.732 176.117 0.224 0.000 1.109 63 I CA 1.016 62.447 61.300 0.218 0.000 1.425 63 I CB -1.354 36.701 38.000 0.091 0.000 1.094 63 I HN 0.414 nan 8.210 nan 0.000 0.425 64 S N -0.682 115.190 115.700 0.286 0.000 3.081 64 S HA 0.296 4.766 4.470 0.000 0.000 0.316 64 S C 0.484 175.229 174.600 0.242 0.000 1.089 64 S CA -0.384 57.962 58.200 0.243 0.000 0.897 64 S CB 1.578 64.922 63.200 0.240 0.000 1.358 64 S HN 0.041 nan 8.310 nan 0.000 0.678 65 D N -0.945 119.530 120.400 0.125 0.000 2.349 65 D HA 0.154 4.794 4.640 0.000 0.000 0.215 65 D C 0.977 177.193 176.300 -0.141 0.000 1.016 65 D CA 0.777 54.706 54.000 -0.119 0.000 0.870 65 D CB -0.003 40.634 40.800 -0.271 0.000 0.917 65 D HN 0.596 nan 8.370 nan 0.000 0.524 66 H N -1.230 118.030 119.070 0.317 0.000 3.255 66 H HA 0.348 4.904 4.556 0.000 0.000 0.256 66 H C -0.067 175.395 175.328 0.224 0.000 1.049 66 H CA 0.056 56.272 56.048 0.279 0.000 1.202 66 H CB 1.155 31.042 29.762 0.208 0.000 1.497 66 H HN 0.131 nan 8.280 nan 0.000 0.503 67 E N 0.765 121.229 120.200 0.441 0.000 2.317 67 E HA 0.378 4.728 4.350 0.000 0.000 0.270 67 E C -1.398 175.388 176.600 0.310 0.000 0.885 67 E CA -0.933 55.606 56.400 0.232 0.000 0.760 67 E CB 2.911 32.655 29.700 0.074 0.000 1.227 67 E HN 0.126 nan 8.360 nan 0.000 0.434 68 Y N -0.486 119.797 120.300 -0.028 0.000 2.638 68 Y HA 0.708 5.258 4.550 0.000 0.000 0.339 68 Y C -1.565 174.307 175.900 -0.048 0.000 1.084 68 Y CA -1.420 56.542 58.100 -0.229 0.000 1.068 68 Y CB 0.894 38.775 38.460 -0.965 0.000 1.294 68 Y HN 0.352 nan 8.280 nan 0.000 0.480 69 L N 2.211 123.591 121.223 0.262 0.000 2.331 69 L HA 0.544 4.884 4.340 0.000 0.000 0.275 69 L C -1.372 175.729 176.870 0.384 0.000 1.022 69 L CA -0.993 54.015 54.840 0.280 0.000 0.812 69 L CB 1.873 44.081 42.059 0.250 0.000 1.257 69 L HN 0.798 nan 8.230 nan 0.000 0.435 70 Y N 2.009 122.430 120.300 0.202 0.000 2.571 70 Y HA 0.331 4.881 4.550 0.000 0.000 0.341 70 Y C -0.917 175.017 175.900 0.057 0.000 1.076 70 Y CA -1.305 56.807 58.100 0.020 0.000 1.029 70 Y CB 1.878 40.209 38.460 -0.215 0.000 1.308 70 Y HN 0.433 nan 8.280 nan 0.000 0.461 71 K N 4.944 124.830 120.400 -0.856 0.000 2.281 71 K HA 0.345 4.665 4.320 0.000 0.000 0.272 71 K C -0.718 175.524 176.600 -0.596 0.000 1.048 71 K CA -0.534 55.419 56.287 -0.557 0.000 0.898 71 K CB 0.651 32.912 32.500 -0.399 0.000 1.128 71 K HN 0.653 nan 8.250 nan 0.000 0.460 76 I N 1.765 122.281 120.570 -0.090 0.000 2.362 76 I HA 0.453 4.623 4.170 0.000 0.000 0.289 76 I C -0.763 175.377 176.117 0.039 0.000 0.994 76 I CA -0.635 60.642 61.300 -0.039 0.000 1.158 76 I CB 1.070 39.006 38.000 -0.107 0.000 1.315 76 I HN 0.213 nan 8.210 nan 0.000 0.451 77 L N 6.899 128.183 121.223 0.101 0.000 2.346 77 L HA 0.516 4.856 4.340 0.000 0.000 0.274 77 L C -0.134 176.783 176.870 0.078 0.000 1.007 77 L CA -0.784 54.092 54.840 0.059 0.000 0.818 77 L CB 1.991 44.026 42.059 -0.041 0.000 1.284 77 L HN 0.344 nan 8.230 nan 0.000 0.424 78 V N -0.584 119.298 119.914 -0.054 0.000 2.555 78 V HA 0.443 4.563 4.120 0.000 0.000 0.286 78 V C -0.436 175.478 176.094 -0.300 0.000 1.044 78 V CA -0.299 61.905 62.300 -0.159 0.000 1.026 78 V CB 0.261 31.913 31.823 -0.285 0.000 0.981 78 V HN 0.412 nan 8.190 nan 0.000 0.480 79 F N 2.778 122.477 119.950 -0.419 0.000 2.458 79 F HA 0.468 4.995 4.527 0.000 0.000 0.336 79 F C 0.407 175.916 175.800 -0.485 0.000 1.114 79 F CA -0.635 57.041 58.000 -0.540 0.000 0.987 79 F CB 1.730 40.126 39.000 -1.007 0.000 1.130 79 F HN 0.624 nan 8.300 nan 0.000 0.458 80 N N 2.205 120.822 118.700 -0.139 0.000 2.401 80 N HA 0.332 5.072 4.740 0.000 0.000 0.255 80 N C 0.552 176.024 175.510 -0.064 0.000 1.110 80 N CA 0.151 53.162 53.050 -0.066 0.000 0.949 80 N CB 1.420 39.906 38.487 -0.002 0.000 1.110 80 N HN 0.704 nan 8.380 nan 0.000 0.490 81 A N 3.528 126.270 122.820 -0.130 0.000 1.968 81 A HA -0.091 4.229 4.320 0.000 0.000 0.217 81 A C 1.926 179.261 177.584 -0.416 0.000 1.169 81 A CA 0.760 52.658 52.037 -0.231 0.000 0.638 81 A CB -0.466 18.391 19.000 -0.239 0.000 0.812 81 A HN 0.734 nan 8.150 nan 0.000 0.446 82 E N -0.569 119.422 120.200 -0.349 0.000 2.023 82 E HA -0.207 4.143 4.350 0.000 0.000 0.196 82 E C 1.622 178.177 176.600 -0.075 0.000 1.003 82 E CA 1.795 58.151 56.400 -0.073 0.000 0.809 82 E CB -0.298 29.478 29.700 0.127 0.000 0.755 82 E HN 0.724 nan 8.360 nan 0.000 0.449 83 Y N -1.816 118.484 120.300 -0.000 0.000 2.353 83 Y HA 0.171 4.721 4.550 0.000 0.000 0.294 83 Y C 1.874 177.777 175.900 0.007 0.000 1.135 83 Y CA 1.101 59.207 58.100 0.011 0.000 1.176 83 Y CB 0.719 39.181 38.460 0.002 0.000 1.124 83 Y HN 0.308 nan 8.280 nan 0.000 0.537 84 G N -0.394 108.506 108.800 0.167 0.000 2.296 84 G HA2 -0.233 3.727 3.960 0.000 0.000 0.188 84 G HA3 -0.233 3.727 3.960 0.000 0.000 0.188 84 G C -0.241 174.748 174.900 0.148 0.000 1.000 84 G CA -0.126 45.061 45.100 0.145 0.000 0.672 84 G HN 0.363 nan 8.290 nan 0.000 0.483 85 N N 1.318 120.058 118.700 0.067 0.000 2.482 85 N HA 0.520 5.260 4.740 0.000 0.000 0.260 85 N C -0.010 175.376 175.510 -0.207 0.000 1.236 85 N CA 0.809 53.830 53.050 -0.049 0.000 0.938 85 N CB 1.375 39.816 38.487 -0.077 0.000 1.128 85 N HN 0.933 nan 8.380 nan 0.000 0.448 86 S N -1.081 114.395 115.700 -0.373 0.000 2.570 86 S HA 0.714 5.184 4.470 0.000 0.000 0.286 86 S C -0.776 173.589 174.600 -0.391 0.000 1.099 86 S CA -0.908 56.899 58.200 -0.656 0.000 0.913 86 S CB 1.190 63.435 63.200 -1.592 0.000 1.085 86 S HN 0.861 nan 8.310 nan 0.000 0.480 87 S N 0.502 116.010 115.700 -0.321 0.000 2.542 87 S HA 0.677 5.147 4.470 0.000 0.000 0.293 87 S C -0.568 173.958 174.600 -0.124 0.000 1.089 87 S CA -0.901 57.193 58.200 -0.177 0.000 0.961 87 S CB 1.062 64.198 63.200 -0.108 0.000 1.062 87 S HN 0.853 nan 8.310 nan 0.000 0.483 88 V N 3.530 123.393 119.914 -0.084 0.000 2.450 88 V HA 0.156 4.276 4.120 0.000 0.000 0.281 88 V C 0.408 176.514 176.094 0.019 0.000 1.019 88 V CA 0.217 62.487 62.300 -0.050 0.000 1.062 88 V CB -0.545 31.232 31.823 -0.077 0.000 0.979 88 V HN 0.971 nan 8.190 nan 0.000 0.477 89 F N 5.022 124.900 119.950 -0.120 0.000 2.390 89 F HA 0.413 4.940 4.527 0.000 0.000 0.281 89 F C 0.459 176.189 175.800 -0.116 0.000 1.016 89 F CA 0.315 58.254 58.000 -0.102 0.000 1.286 89 F CB 0.613 39.567 39.000 -0.076 0.000 1.134 89 F HN 0.275 nan 8.300 nan 0.000 0.597 90 L N 1.613 122.773 121.223 -0.105 0.000 2.349 90 L HA 0.336 4.676 4.340 0.000 0.000 0.278 90 L C -0.769 175.954 176.870 -0.245 0.000 0.996 90 L CA -0.592 54.096 54.840 -0.254 0.000 0.825 90 L CB 1.254 43.219 42.059 -0.157 0.000 1.243 90 L HN 0.096 nan 8.230 nan 0.000 0.412 91 E N 2.716 122.698 120.200 -0.364 0.000 2.073 91 E HA 0.145 4.496 4.350 0.000 0.000 0.269 91 E C 0.408 176.715 176.600 -0.487 0.000 0.917 91 E CA -0.230 55.969 56.400 -0.335 0.000 0.757 91 E CB 0.676 30.198 29.700 -0.298 0.000 1.111 91 E HN 0.585 nan 8.360 nan 0.000 0.410 92 N N 2.839 121.356 118.700 -0.304 0.000 2.567 92 N HA -0.107 4.633 4.740 0.000 0.000 0.195 92 N C 0.401 175.802 175.510 -0.181 0.000 1.242 92 N CA 0.370 53.307 53.050 -0.187 0.000 0.884 92 N CB 0.235 38.728 38.487 0.009 0.000 1.007 92 N HN 0.246 nan 8.380 nan 0.000 0.450 93 S N -2.280 113.276 115.700 -0.241 0.000 2.572 93 S HA 0.142 4.613 4.470 0.000 0.000 0.228 93 S C 0.818 175.276 174.600 -0.236 0.000 0.963 93 S CA -0.438 57.658 58.200 -0.174 0.000 0.939 93 S CB 0.028 63.154 63.200 -0.123 0.000 0.804 93 S HN 0.169 nan 8.310 nan 0.000 0.480 94 T N 1.060 115.342 114.554 -0.454 0.000 3.044 94 T HA 0.295 4.645 4.350 0.000 0.000 0.250 94 T C -0.116 174.330 174.700 -0.424 0.000 1.081 94 T CA 0.178 61.988 62.100 -0.484 0.000 1.040 94 T CB -0.288 68.174 68.868 -0.676 0.000 0.962 94 T HN 0.490 nan 8.240 nan 0.000 0.506 95 F N 1.354 121.216 119.950 -0.146 0.000 2.916 95 F HA 0.439 4.966 4.527 0.000 0.000 0.294 95 F C 1.082 176.852 175.800 -0.051 0.000 1.189 95 F CA -1.671 56.222 58.000 -0.177 0.000 1.369 95 F CB -0.367 38.330 39.000 -0.506 0.000 0.961 95 F HN 0.031 nan 8.300 nan 0.000 0.508 96 D N 0.395 120.847 120.400 0.087 0.000 2.259 96 D HA -0.046 4.594 4.640 0.000 0.000 0.216 96 D C 1.834 178.203 176.300 0.116 0.000 0.961 96 D CA 0.832 54.877 54.000 0.076 0.000 0.878 96 D CB 0.232 41.031 40.800 -0.002 0.000 1.009 96 D HN 0.251 nan 8.370 nan 0.000 0.490 97 E N -0.463 119.808 120.200 0.119 0.000 2.396 97 E HA -0.166 4.184 4.350 0.000 0.000 0.200 97 E C 1.457 178.154 176.600 0.161 0.000 1.023 97 E CA 0.039 56.504 56.400 0.108 0.000 0.857 97 E CB -0.144 29.611 29.700 0.093 0.000 0.775 97 E HN 0.406 nan 8.360 nan 0.000 0.525 98 F N 0.440 120.427 119.950 0.062 0.000 2.063 98 F HA -0.297 4.230 4.527 0.000 0.000 0.298 98 F C 1.971 177.720 175.800 -0.085 0.000 1.109 98 F CA 1.825 59.863 58.000 0.063 0.000 1.212 98 F CB -0.010 39.045 39.000 0.091 0.000 0.973 98 F HN 0.226 nan 8.300 nan 0.000 0.480 99 G N -2.037 106.747 108.800 -0.026 0.000 2.254 99 G HA2 -0.218 3.743 3.960 0.000 0.000 0.225 99 G HA3 -0.218 3.743 3.960 0.000 0.000 0.225 99 G C 0.207 174.924 174.900 -0.304 0.000 1.003 99 G CA 0.147 45.086 45.100 -0.268 0.000 0.622 99 G HN 0.486 nan 8.290 nan 0.000 0.507 100 H N 0.343 119.455 119.070 0.070 0.000 2.544 100 H HA 0.656 5.212 4.556 0.000 0.000 0.342 100 H C -0.165 175.262 175.328 0.166 0.000 1.185 100 H CA 0.254 56.365 56.048 0.106 0.000 1.264 100 H CB 1.650 31.392 29.762 -0.033 0.000 1.607 100 H HN 0.179 nan 8.280 nan 0.000 0.550 101 S N 2.069 117.931 115.700 0.272 0.000 2.430 101 S HA 0.203 4.673 4.470 0.000 0.000 0.289 101 S C 0.013 174.715 174.600 0.169 0.000 1.143 101 S CA -0.895 57.406 58.200 0.168 0.000 1.067 101 S CB -0.498 62.776 63.200 0.122 0.000 0.964 101 S HN 0.304 nan 8.310 nan 0.000 0.485 102 I N 5.509 126.133 120.570 0.089 0.000 2.396 102 I HA 0.161 4.331 4.170 0.000 0.000 0.289 102 I C 1.311 177.447 176.117 0.032 0.000 1.056 102 I CA 0.005 61.331 61.300 0.044 0.000 1.365 102 I CB 0.535 38.504 38.000 -0.051 0.000 1.407 102 I HN 0.758 nan 8.210 nan 0.000 0.509 103 N N 3.911 122.629 118.700 0.031 0.000 2.336 103 N HA -0.030 4.710 4.740 0.000 0.000 0.177 103 N C 0.017 175.501 175.510 -0.043 0.000 1.018 103 N CA 0.967 53.984 53.050 -0.055 0.000 0.878 103 N CB 0.525 38.941 38.487 -0.118 0.000 0.997 103 N HN 0.691 nan 8.380 nan 0.000 0.433 104 D N -2.575 117.840 120.400 0.024 0.000 2.671 104 D HA 0.172 4.812 4.640 0.000 0.000 0.273 104 D C -1.688 174.696 176.300 0.140 0.000 1.264 104 D CA -0.488 53.546 54.000 0.057 0.000 0.788 104 D CB 0.850 41.652 40.800 0.004 0.000 1.324 104 D HN 0.056 nan 8.370 nan 0.000 0.424 105 Y N -1.264 119.054 120.300 0.030 0.000 2.581 105 Y HA 0.774 5.324 4.550 0.000 0.000 0.345 105 Y C -1.132 174.845 175.900 0.128 0.000 1.036 105 Y CA -0.989 57.133 58.100 0.037 0.000 1.042 105 Y CB 1.742 40.187 38.460 -0.025 0.000 1.289 105 Y HN 0.125 nan 8.280 nan 0.000 0.471 106 S N 2.734 118.577 115.700 0.238 0.000 2.677 106 S HA 0.598 5.069 4.470 0.000 0.000 0.283 106 S C -1.448 173.458 174.600 0.511 0.000 1.159 106 S CA -0.698 57.677 58.200 0.291 0.000 1.001 106 S CB 0.329 63.733 63.200 0.340 0.000 1.032 106 S HN 0.598 nan 8.310 nan 0.000 0.487 107 I N 4.706 125.472 120.570 0.327 0.000 2.471 107 I HA 0.192 4.362 4.170 0.000 0.000 0.286 107 I C 1.082 177.020 176.117 -0.298 0.000 1.079 107 I CA -0.159 61.223 61.300 0.138 0.000 1.398 107 I CB 0.796 38.898 38.000 0.169 0.000 1.403 107 I HN 0.798 nan 8.210 nan 0.000 0.530 108 S N 7.261 122.444 115.700 -0.863 0.000 2.498 108 S HA 0.153 4.623 4.470 0.000 0.000 0.281 108 S C -1.622 172.643 174.600 -0.559 0.000 1.265 108 S CA -0.884 56.382 58.200 -1.557 0.000 1.071 108 S CB 0.641 62.865 63.200 -1.626 0.000 0.894 108 S HN 0.420 nan 8.310 nan 0.000 0.491 109 P HA -0.250 nan 4.420 nan 0.000 0.221 109 P C 0.986 178.239 177.300 -0.078 0.000 1.153 109 P CA 1.949 64.976 63.100 -0.121 0.000 0.858 109 P CB -0.066 31.591 31.700 -0.071 0.000 0.783 110 D N -2.382 117.962 120.400 -0.092 0.000 2.323 110 D HA 0.041 4.681 4.640 0.000 0.000 0.209 110 D C 1.351 177.633 176.300 -0.031 0.000 0.973 110 D CA 1.031 55.016 54.000 -0.025 0.000 0.874 110 D CB -1.048 39.772 40.800 0.034 0.000 0.930 110 D HN 0.228 nan 8.370 nan 0.000 0.521 111 G N 0.390 109.145 108.800 -0.074 0.000 2.149 111 G HA2 -0.327 3.633 3.960 0.000 0.000 0.235 111 G HA3 -0.327 3.633 3.960 0.000 0.000 0.235 111 G C 0.734 175.579 174.900 -0.093 0.000 1.018 111 G CA 0.447 45.523 45.100 -0.041 0.000 0.728 111 G HN 0.456 nan 8.290 nan 0.000 0.508 112 Q N -1.663 118.010 119.800 -0.211 0.000 2.391 112 Q HA 0.411 4.751 4.340 0.000 0.000 0.211 112 Q C 0.177 175.642 176.000 -0.892 0.000 0.908 112 Q CA 0.623 56.100 55.803 -0.542 0.000 0.920 112 Q CB 0.631 28.962 28.738 -0.678 0.000 1.056 112 Q HN 0.561 nan 8.270 nan 0.000 0.523 113 F N -0.191 119.673 119.950 -0.144 0.000 2.599 113 F HA 0.520 5.047 4.527 0.000 0.000 0.311 113 F C -0.584 175.218 175.800 0.004 0.000 1.076 113 F CA -1.129 56.844 58.000 -0.044 0.000 0.937 113 F CB 1.849 40.851 39.000 0.004 0.000 1.282 113 F HN -0.192 nan 8.300 nan 0.000 0.460 114 I N 2.778 123.568 120.570 0.368 0.000 2.608 114 I HA 0.536 4.706 4.170 0.000 0.000 0.295 114 I C -1.869 174.503 176.117 0.424 0.000 1.049 114 I CA -1.111 60.392 61.300 0.339 0.000 1.063 114 I CB 1.767 39.851 38.000 0.140 0.000 1.248 114 I HN 0.475 nan 8.210 nan 0.000 0.424 115 L N 7.768 129.280 121.223 0.482 0.000 2.282 115 L HA 0.534 4.874 4.340 0.000 0.000 0.288 115 L C -1.076 175.915 176.870 0.201 0.000 1.033 115 L CA -0.311 54.735 54.840 0.343 0.000 0.807 115 L CB 1.306 43.527 42.059 0.269 0.000 1.209 115 L HN 0.468 nan 8.230 nan 0.000 0.423 116 L N 4.239 125.542 121.223 0.133 0.000 2.309 116 L HA 0.512 4.852 4.340 0.000 0.000 0.282 116 L C -0.074 176.908 176.870 0.187 0.000 1.036 116 L CA -0.471 54.380 54.840 0.019 0.000 0.806 116 L CB 1.726 43.593 42.059 -0.321 0.000 1.220 116 L HN 0.596 nan 8.230 nan 0.000 0.429 117 E N 3.318 123.583 120.200 0.107 0.000 2.158 117 E HA 0.468 4.818 4.350 0.000 0.000 0.271 117 E C -1.717 174.930 176.600 0.079 0.000 0.911 117 E CA -0.503 55.848 56.400 -0.082 0.000 0.767 117 E CB 1.386 31.087 29.700 0.001 0.000 1.120 117 E HN 0.436 nan 8.360 nan 0.000 0.405 118 Y N 1.546 121.708 120.300 -0.231 0.000 2.744 118 Y HA 0.428 4.978 4.550 0.000 0.000 0.330 118 Y C -0.224 175.620 175.900 -0.094 0.000 1.263 118 Y CA -1.587 56.464 58.100 -0.083 0.000 1.065 118 Y CB 0.301 38.772 38.460 0.019 0.000 1.306 118 Y HN 0.506 nan 8.280 nan 0.000 0.459 119 N N -0.863 117.840 118.700 0.005 0.000 2.725 119 N HA -0.302 4.438 4.740 0.000 0.000 0.249 119 N C -0.984 174.509 175.510 -0.029 0.000 1.103 119 N CA 1.029 54.041 53.050 -0.064 0.000 0.707 119 N CB -1.850 36.484 38.487 -0.254 0.000 1.043 119 N HN 0.844 nan 8.380 nan 0.000 0.553 120 Y N 0.454 120.701 120.300 -0.088 0.000 2.729 120 Y HA 0.221 4.771 4.550 0.000 0.000 0.331 120 Y C 0.085 175.964 175.900 -0.035 0.000 1.208 120 Y CA 0.078 58.133 58.100 -0.074 0.000 1.521 120 Y CB 0.566 38.942 38.460 -0.141 0.000 1.233 120 Y HN -0.010 nan 8.280 nan 0.000 0.539 121 V N 8.056 127.730 119.914 -0.400 0.000 2.376 121 V HA 0.194 4.314 4.120 0.000 0.000 0.287 121 V C -0.213 175.584 176.094 -0.495 0.000 1.015 121 V CA -1.451 60.659 62.300 -0.316 0.000 0.834 121 V CB 1.276 33.003 31.823 -0.161 0.000 1.001 121 V HN 0.698 nan 8.190 nan 0.000 0.428 122 K N 3.793 123.935 120.400 -0.431 0.000 2.448 122 K HA 0.146 4.466 4.320 0.000 0.000 0.278 122 K C 0.488 176.932 176.600 -0.261 0.000 1.009 122 K CA 0.278 56.392 56.287 -0.289 0.000 0.995 122 K CB 1.001 33.492 32.500 -0.016 0.000 0.917 122 K HN 0.823 nan 8.250 nan 0.000 0.481 123 Q N 3.201 122.804 119.800 -0.328 0.000 2.496 123 Q HA 0.146 4.486 4.340 0.000 0.000 0.299 123 Q C 0.034 175.745 176.000 -0.482 0.000 1.044 123 Q CA -0.214 55.192 55.803 -0.663 0.000 0.700 123 Q CB 0.029 28.208 28.738 -0.931 0.000 3.313 123 Q HN 0.718 nan 8.270 nan 0.000 0.449 124 W N 0.085 121.370 121.300 -0.025 0.000 1.836 124 W HA 0.344 5.004 4.660 0.000 0.000 0.628 124 W C 1.886 178.380 176.519 -0.041 0.000 1.626 124 W CA -0.691 56.660 57.345 0.009 0.000 1.714 124 W CB -0.224 29.200 29.460 -0.061 0.000 3.166 124 W HN 0.296 nan 8.180 nan 0.000 0.772 125 R N -0.623 119.959 120.500 0.137 0.000 2.081 125 R HA -0.148 4.192 4.340 0.000 0.000 0.235 125 R C 1.770 177.899 176.300 -0.285 0.000 1.131 125 R CA 1.852 57.859 56.100 -0.155 0.000 0.960 125 R CB -0.411 29.654 30.300 -0.393 0.000 0.856 125 R HN 0.506 nan 8.270 nan 0.000 0.436 126 H N -1.162 117.980 119.070 0.119 0.000 2.695 126 H HA 0.155 4.711 4.556 0.000 0.000 0.267 126 H C 0.580 175.996 175.328 0.147 0.000 0.973 126 H CA 0.482 56.626 56.048 0.160 0.000 1.223 126 H CB 0.174 30.011 29.762 0.124 0.000 1.442 126 H HN 0.145 nan 8.280 nan 0.000 0.478 127 S N 1.506 117.195 115.700 -0.018 0.000 2.572 127 S HA 0.333 4.803 4.470 0.000 0.000 0.279 127 S C -0.232 174.188 174.600 -0.300 0.000 1.341 127 S CA -0.437 57.407 58.200 -0.593 0.000 1.043 127 S CB 0.461 62.891 63.200 -1.284 0.000 0.887 127 S HN 0.469 nan 8.310 nan 0.000 0.516 128 Y N -1.992 118.080 120.300 -0.380 0.000 2.818 128 Y HA 0.746 5.296 4.550 0.000 0.000 0.341 128 Y C -0.840 174.989 175.900 -0.118 0.000 1.283 128 Y CA -1.205 56.701 58.100 -0.323 0.000 1.075 128 Y CB 0.805 38.996 38.460 -0.448 0.000 1.370 128 Y HN 0.596 nan 8.280 nan 0.000 0.448 129 T N 1.060 115.647 114.554 0.056 0.000 2.907 129 T HA 0.919 5.269 4.350 0.000 0.000 0.292 129 T C -1.184 173.584 174.700 0.114 0.000 1.043 129 T CA 0.041 62.189 62.100 0.080 0.000 1.003 129 T CB 1.436 70.305 68.868 0.001 0.000 1.084 129 T HN 1.251 nan 8.240 nan 0.000 0.483 130 A N 1.499 124.378 122.820 0.098 0.000 2.601 130 A HA 0.773 5.093 4.320 0.000 0.000 0.291 130 A C -0.897 176.491 177.584 -0.327 0.000 1.075 130 A CA -0.735 51.225 52.037 -0.128 0.000 0.671 130 A CB 1.291 20.201 19.000 -0.149 0.000 1.277 130 A HN 0.649 nan 8.150 nan 0.000 0.417 131 S N -0.425 114.856 115.700 -0.698 0.000 2.617 131 S HA 0.777 5.247 4.470 0.000 0.000 0.283 131 S C -1.438 172.550 174.600 -1.019 0.000 1.189 131 S CA -0.022 57.678 58.200 -0.834 0.000 1.036 131 S CB 0.542 62.990 63.200 -1.253 0.000 1.014 131 S HN 0.442 nan 8.310 nan 0.000 0.522 132 Y N 0.285 120.405 120.300 -0.299 0.000 2.457 132 Y HA 0.452 5.002 4.550 0.000 0.000 0.343 132 Y C -0.552 175.421 175.900 0.122 0.000 0.994 132 Y CA -0.996 57.083 58.100 -0.035 0.000 1.031 132 Y CB 1.728 40.095 38.460 -0.155 0.000 1.246 132 Y HN 0.476 nan 8.280 nan 0.000 0.449 133 D N 2.875 123.542 120.400 0.445 0.000 2.646 133 D HA 0.541 5.181 4.640 0.000 0.000 0.245 133 D C -0.752 175.752 176.300 0.340 0.000 1.099 133 D CA -0.331 53.897 54.000 0.378 0.000 0.849 133 D CB 2.372 43.519 40.800 0.577 0.000 1.448 133 D HN 0.378 nan 8.370 nan 0.000 0.489 134 I N 1.562 122.287 120.570 0.258 0.000 2.392 134 I HA 0.334 4.504 4.170 0.000 0.000 0.295 134 I C -0.745 175.601 176.117 0.381 0.000 0.985 134 I CA -0.771 60.715 61.300 0.311 0.000 1.221 134 I CB 0.898 39.009 38.000 0.184 0.000 1.366 134 I HN 0.140 nan 8.210 nan 0.000 0.467 135 Y N 2.547 122.969 120.300 0.203 0.000 2.446 135 Y HA 0.226 4.776 4.550 0.000 0.000 0.345 135 Y C 0.143 176.218 175.900 0.293 0.000 0.984 135 Y CA -1.179 57.031 58.100 0.184 0.000 1.058 135 Y CB 1.414 39.911 38.460 0.062 0.000 1.220 135 Y HN 0.472 nan 8.280 nan 0.000 0.455 136 D N 4.007 124.619 120.400 0.352 0.000 2.348 136 D HA -0.018 4.622 4.640 0.000 0.000 0.259 136 D C 1.116 177.424 176.300 0.013 0.000 1.296 136 D CA 0.435 54.489 54.000 0.090 0.000 0.931 136 D CB 0.664 41.488 40.800 0.041 0.000 1.067 136 D HN 0.778 nan 8.370 nan 0.000 0.503 137 L N 4.210 125.391 121.223 -0.069 0.000 2.081 137 L HA -0.219 4.121 4.340 0.000 0.000 0.212 137 L C 1.741 178.569 176.870 -0.071 0.000 1.080 137 L CA 1.202 56.030 54.840 -0.021 0.000 0.754 137 L CB -0.072 41.976 42.059 -0.019 0.000 0.893 137 L HN 0.466 nan 8.230 nan 0.000 0.433 138 N N -1.255 117.371 118.700 -0.123 0.000 2.446 138 N HA -0.111 4.629 4.740 0.000 0.000 0.179 138 N C 1.346 176.813 175.510 -0.071 0.000 1.054 138 N CA 0.395 53.386 53.050 -0.098 0.000 0.905 138 N CB 0.288 38.710 38.487 -0.108 0.000 0.973 138 N HN 0.317 nan 8.380 nan 0.000 0.448 139 K N 0.536 120.906 120.400 -0.049 0.000 2.370 139 K HA 0.203 4.523 4.320 0.000 0.000 0.194 139 K C -0.128 176.490 176.600 0.030 0.000 1.070 139 K CA 0.015 56.293 56.287 -0.016 0.000 0.998 139 K CB 0.689 33.182 32.500 -0.012 0.000 0.911 139 K HN 0.016 nan 8.250 nan 0.000 0.533 140 R N 1.630 122.183 120.500 0.088 0.000 3.525 140 R HA -0.174 4.166 4.340 0.000 0.000 0.276 140 R C -0.654 175.832 176.300 0.311 0.000 1.116 140 R CA 0.806 57.046 56.100 0.234 0.000 0.745 140 R CB -2.579 27.785 30.300 0.107 0.000 1.185 140 R HN 0.520 nan 8.270 nan 0.000 0.454 141 Q N -0.423 119.479 119.800 0.170 0.000 2.347 141 Q HA 0.472 4.812 4.340 0.000 0.000 0.271 141 Q C -0.240 175.561 176.000 -0.332 0.000 1.064 141 Q CA -1.269 54.510 55.803 -0.041 0.000 0.800 141 Q CB 1.639 30.367 28.738 -0.016 0.000 1.304 141 Q HN -0.050 nan 8.270 nan 0.000 0.438 142 L N 2.750 123.589 121.223 -0.639 0.000 2.653 142 L HA -0.032 4.308 4.340 0.000 0.000 0.288 142 L C -0.168 176.567 176.870 -0.225 0.000 1.243 142 L CA 0.740 55.224 54.840 -0.592 0.000 0.906 142 L CB -0.235 41.620 42.059 -0.339 0.000 1.154 142 L HN 0.733 nan 8.230 nan 0.000 0.498 143 I N 3.852 124.345 120.570 -0.128 0.000 2.347 143 I HA -0.005 4.165 4.170 0.000 0.000 0.294 143 I C 1.626 177.708 176.117 -0.058 0.000 1.090 143 I CA 0.338 61.613 61.300 -0.042 0.000 1.314 143 I CB 1.014 39.014 38.000 -0.000 0.000 1.423 143 I HN 0.747 nan 8.210 nan 0.000 0.503 144 T N 2.237 116.757 114.554 -0.056 0.000 2.978 144 T HA 0.041 4.391 4.350 0.000 0.000 0.262 144 T C 0.678 175.345 174.700 -0.055 0.000 1.063 144 T CA 0.205 62.272 62.100 -0.056 0.000 1.140 144 T CB -0.107 68.731 68.868 -0.050 0.000 0.886 144 T HN 0.563 nan 8.240 nan 0.000 0.470 145 E N 1.285 121.454 120.200 -0.051 0.000 2.232 145 E HA 0.195 4.545 4.350 0.000 0.000 0.265 145 E C -0.615 175.942 176.600 -0.072 0.000 1.001 145 E CA -0.654 55.712 56.400 -0.057 0.000 0.870 145 E CB 0.736 30.409 29.700 -0.045 0.000 1.175 145 E HN 0.160 nan 8.360 nan 0.000 0.407 146 E N 0.379 120.528 120.200 -0.085 0.000 2.199 146 E HA -0.230 4.120 4.350 0.000 0.000 0.208 146 E C -0.634 175.884 176.600 -0.137 0.000 1.310 146 E CA 0.697 57.032 56.400 -0.108 0.000 0.709 146 E CB -1.403 28.242 29.700 -0.091 0.000 1.127 146 E HN 0.461 nan 8.360 nan 0.000 0.354 147 R N 0.008 120.418 120.500 -0.151 0.000 2.543 147 R HA 0.305 4.645 4.340 0.000 0.000 0.277 147 R C 1.077 177.204 176.300 -0.288 0.000 1.074 147 R CA -0.447 55.548 56.100 -0.174 0.000 1.076 147 R CB 0.533 30.753 30.300 -0.133 0.000 0.993 147 R HN 0.166 nan 8.270 nan 0.000 0.459 148 I N 5.749 126.110 120.570 -0.348 0.000 2.752 148 I HA -0.027 4.143 4.170 0.000 0.000 0.289 148 I C -1.436 174.371 176.117 -0.517 0.000 1.197 148 I CA -1.161 59.772 61.300 -0.613 0.000 1.432 148 I CB 0.044 37.675 38.000 -0.614 0.000 1.359 148 I HN 0.381 nan 8.210 nan 0.000 0.571 149 P HA 0.091 nan 4.420 nan 0.000 0.274 149 P C -0.704 176.385 177.300 -0.352 0.000 1.260 149 P CA -0.422 62.311 63.100 -0.613 0.000 0.793 149 P CB 0.512 31.495 31.700 -1.196 0.000 1.048 150 N N 0.343 118.914 118.700 -0.215 0.000 2.354 150 N HA 0.010 4.750 4.740 0.000 0.000 0.246 150 N C 0.386 175.958 175.510 0.102 0.000 1.285 150 N CA 0.028 53.026 53.050 -0.086 0.000 0.925 150 N CB -0.614 37.838 38.487 -0.059 0.000 1.174 150 N HN 0.425 nan 8.380 nan 0.000 0.478 151 N N -1.859 116.897 118.700 0.092 0.000 2.693 151 N HA -0.177 4.563 4.740 0.000 0.000 0.249 151 N C -0.911 174.783 175.510 0.308 0.000 1.119 151 N CA 0.527 53.677 53.050 0.168 0.000 0.717 151 N CB -1.226 37.360 38.487 0.166 0.000 1.071 151 N HN 0.416 nan 8.380 nan 0.000 0.555 152 T N 0.404 115.137 114.554 0.298 0.000 2.834 152 T HA 0.066 4.416 4.350 0.000 0.000 0.298 152 T C 1.381 176.253 174.700 0.287 0.000 0.966 152 T CA 0.034 62.336 62.100 0.336 0.000 1.141 152 T CB 1.123 70.104 68.868 0.189 0.000 0.905 152 T HN 0.184 nan 8.240 nan 0.000 0.535 153 Q N 2.094 122.054 119.800 0.267 0.000 2.354 153 Q HA 0.148 4.488 4.340 0.000 0.000 0.203 153 Q C 0.097 176.279 176.000 0.304 0.000 0.933 153 Q CA 0.427 56.396 55.803 0.276 0.000 0.901 153 Q CB 0.698 29.555 28.738 0.198 0.000 1.007 153 Q HN 0.692 nan 8.270 nan 0.000 0.495 154 W N 0.198 121.475 121.300 -0.038 0.000 3.645 154 W HA 0.397 5.057 4.660 0.000 0.000 0.285 154 W C -2.090 174.332 176.519 -0.161 0.000 1.266 154 W CA -0.847 56.424 57.345 -0.124 0.000 1.212 154 W CB 1.073 30.411 29.460 -0.203 0.000 1.306 154 W HN -0.268 nan 8.180 nan 0.000 0.552 155 V N 1.489 120.759 119.914 -1.073 0.000 2.876 155 V HA 0.937 5.057 4.120 0.000 0.000 0.312 155 V C -0.992 174.490 176.094 -1.020 0.000 1.085 155 V CA -0.646 61.107 62.300 -0.911 0.000 0.945 155 V CB 1.422 32.593 31.823 -1.086 0.000 1.017 155 V HN 0.585 nan 8.190 nan 0.000 0.428 156 T N 2.768 117.041 114.554 -0.469 0.000 3.097 156 T HA 0.494 4.844 4.350 0.000 0.000 0.332 156 T C -1.470 173.253 174.700 0.037 0.000 1.269 156 T CA -0.332 61.677 62.100 -0.152 0.000 1.076 156 T CB 0.933 69.962 68.868 0.269 0.000 1.209 156 T HN 0.785 nan 8.240 nan 0.000 0.474 157 W N 3.261 124.603 121.300 0.071 0.000 2.150 157 W HA 0.446 5.106 4.660 0.000 0.000 0.341 157 W C 1.201 177.507 176.519 -0.356 0.000 1.276 157 W CA -0.657 56.654 57.345 -0.058 0.000 1.238 157 W CB 0.620 30.055 29.460 -0.041 0.000 1.128 157 W HN 0.772 nan 8.180 nan 0.000 0.581 158 S N 1.661 116.995 115.700 -0.611 0.000 2.572 158 S HA 0.101 4.571 4.470 0.000 0.000 0.279 158 S C -1.800 172.539 174.600 -0.434 0.000 1.341 158 S CA -1.013 56.391 58.200 -1.328 0.000 1.043 158 S CB 1.004 63.361 63.200 -1.404 0.000 0.887 158 S HN 0.276 nan 8.310 nan 0.000 0.516 159 P HA -0.022 nan 4.420 nan 0.000 0.221 159 P C 0.424 177.684 177.300 -0.067 0.000 1.145 159 P CA 0.988 64.054 63.100 -0.057 0.000 0.795 159 P CB -0.203 31.502 31.700 0.008 0.000 0.775 160 V N -6.754 113.079 119.914 -0.135 0.000 3.040 160 V HA 0.882 5.002 4.120 0.000 0.000 0.312 160 V C 0.441 176.443 176.094 -0.155 0.000 1.115 160 V CA -0.302 61.934 62.300 -0.107 0.000 0.998 160 V CB 1.129 32.907 31.823 -0.075 0.000 1.042 160 V HN 0.393 nan 8.190 nan 0.000 0.433 161 G N 2.357 111.087 108.800 -0.116 0.000 2.552 161 G HA2 -0.199 3.761 3.960 0.000 0.000 0.265 161 G HA3 -0.199 3.761 3.960 0.000 0.000 0.265 161 G C 0.228 175.060 174.900 -0.112 0.000 1.234 161 G CA 0.720 45.734 45.100 -0.144 0.000 0.944 161 G HN 2.541 nan 8.290 nan 0.000 0.568 162 H N -0.418 118.638 119.070 -0.022 0.000 2.767 162 H HA 0.453 5.009 4.556 0.000 0.000 0.235 162 H C 0.328 175.803 175.328 0.245 0.000 1.256 162 H CA -0.211 55.862 56.048 0.041 0.000 0.957 162 H CB -0.151 29.680 29.762 0.115 0.000 2.117 162 H HN 0.488 nan 8.280 nan 0.000 0.602 163 K N 1.349 121.759 120.400 0.017 0.000 2.355 163 K HA 0.262 4.582 4.320 0.000 0.000 0.270 163 K C -0.764 175.940 176.600 0.174 0.000 1.003 163 K CA -0.555 55.737 56.287 0.008 0.000 0.957 163 K CB 1.182 33.507 32.500 -0.291 0.000 0.939 163 K HN 0.038 nan 8.250 nan 0.000 0.482 164 L N 1.772 123.135 121.223 0.233 0.000 2.381 164 L HA 0.491 4.831 4.340 0.000 0.000 0.274 164 L C -1.360 175.712 176.870 0.336 0.000 0.988 164 L CA -0.319 54.618 54.840 0.162 0.000 0.824 164 L CB 1.594 43.633 42.059 -0.034 0.000 1.263 164 L HN 0.734 nan 8.230 nan 0.000 0.410 165 A N 4.768 127.802 122.820 0.357 0.000 2.335 165 A HA 0.750 5.070 4.320 0.000 0.000 0.304 165 A C -1.579 176.058 177.584 0.087 0.000 1.118 165 A CA -0.419 51.736 52.037 0.197 0.000 0.757 165 A CB 0.738 19.796 19.000 0.097 0.000 1.188 165 A HN 0.689 nan 8.150 nan 0.000 0.460 166 Y N -0.001 120.270 120.300 -0.048 0.000 2.605 166 Y HA 0.811 5.361 4.550 0.000 0.000 0.343 166 Y C -0.966 174.960 175.900 0.043 0.000 1.036 166 Y CA -1.639 56.412 58.100 -0.081 0.000 1.065 166 Y CB 1.350 39.692 38.460 -0.197 0.000 1.288 166 Y HN 0.322 nan 8.280 nan 0.000 0.481 167 V N 2.150 122.196 119.914 0.221 0.000 2.448 167 V HA 0.331 4.451 4.120 0.000 0.000 0.295 167 V C -1.443 174.870 176.094 0.364 0.000 1.025 167 V CA -0.638 61.768 62.300 0.176 0.000 0.859 167 V CB 1.152 32.990 31.823 0.025 0.000 0.988 167 V HN 0.882 nan 8.190 nan 0.000 0.431 168 W N 5.220 126.624 121.300 0.172 0.000 3.042 168 W HA 0.466 5.126 4.660 0.000 0.000 0.337 168 W C 0.210 176.792 176.519 0.104 0.000 1.086 168 W CA -0.670 56.751 57.345 0.127 0.000 1.236 168 W CB 1.233 30.748 29.460 0.092 0.000 1.381 168 W HN 0.774 nan 8.180 nan 0.000 0.472 169 N N 5.628 123.932 118.700 -0.659 0.000 2.740 169 N HA -0.348 4.392 4.740 0.000 0.000 0.248 169 N C 0.186 175.511 175.510 -0.310 0.000 1.062 169 N CA 1.080 53.745 53.050 -0.642 0.000 0.704 169 N CB -1.096 36.755 38.487 -1.060 0.000 0.968 169 N HN 0.847 nan 8.380 nan 0.000 0.547 170 N N -2.095 116.497 118.700 -0.180 0.000 2.909 170 N HA -0.162 4.578 4.740 0.000 0.000 0.242 170 N C -1.259 174.172 175.510 -0.131 0.000 0.975 170 N CA 1.087 54.056 53.050 -0.136 0.000 0.921 170 N CB -0.354 38.013 38.487 -0.201 0.000 1.112 170 N HN 0.426 nan 8.380 nan 0.000 0.581 171 D N 0.522 120.851 120.400 -0.119 0.000 2.350 171 D HA 0.520 5.160 4.640 0.000 0.000 0.238 171 D C 0.115 176.262 176.300 -0.255 0.000 0.989 171 D CA -0.326 53.534 54.000 -0.233 0.000 0.921 171 D CB 1.620 42.221 40.800 -0.333 0.000 1.297 171 D HN 0.026 nan 8.370 nan 0.000 0.490 172 I N 1.546 121.809 120.570 -0.510 0.000 2.353 172 I HA 0.257 4.427 4.170 0.000 0.000 0.293 172 I C -0.702 174.990 176.117 -0.710 0.000 0.992 172 I CA -0.508 60.478 61.300 -0.523 0.000 1.268 172 I CB 0.637 38.238 38.000 -0.665 0.000 1.387 172 I HN 0.149 nan 8.210 nan 0.000 0.478 173 Y N 4.332 124.260 120.300 -0.621 0.000 2.499 173 Y HA 0.638 5.188 4.550 0.000 0.000 0.347 173 Y C -0.301 175.284 175.900 -0.524 0.000 0.987 173 Y CA -1.015 56.688 58.100 -0.663 0.000 1.044 173 Y CB 2.142 39.947 38.460 -1.091 0.000 1.245 173 Y HN 0.134 nan 8.280 nan 0.000 0.461 174 V N 3.060 122.934 119.914 -0.066 0.000 2.604 174 V HA 0.425 4.545 4.120 0.000 0.000 0.305 174 V C -0.742 175.488 176.094 0.227 0.000 1.043 174 V CA -1.266 61.095 62.300 0.102 0.000 0.888 174 V CB 1.953 33.861 31.823 0.142 0.000 0.995 174 V HN 0.627 nan 8.190 nan 0.000 0.429 175 K N 4.478 125.023 120.400 0.242 0.000 2.425 175 K HA 0.457 4.777 4.320 0.000 0.000 0.259 175 K C 0.291 177.024 176.600 0.221 0.000 0.978 175 K CA -0.681 55.735 56.287 0.215 0.000 0.883 175 K CB 1.701 34.292 32.500 0.152 0.000 1.110 175 K HN 0.434 nan 8.250 nan 0.000 0.436 176 I N 1.192 121.911 120.570 0.248 0.000 2.163 176 I HA -0.119 4.051 4.170 0.000 0.000 0.240 176 I C 0.608 176.823 176.117 0.163 0.000 1.081 176 I CA 1.555 62.968 61.300 0.188 0.000 1.353 176 I CB -0.228 37.897 38.000 0.208 0.000 1.054 176 I HN 0.512 nan 8.210 nan 0.000 0.407 177 E N 0.457 120.747 120.200 0.150 0.000 2.199 177 E HA 0.265 4.615 4.350 0.000 0.000 0.269 177 E C -1.896 174.691 176.600 -0.021 0.000 0.899 177 E CA -2.149 54.318 56.400 0.112 0.000 0.772 177 E CB 1.350 31.116 29.700 0.109 0.000 1.155 177 E HN -0.083 nan 8.360 nan 0.000 0.408 178 P HA -0.199 nan 4.420 nan 0.000 0.219 178 P C 0.662 177.876 177.300 -0.144 0.000 1.144 178 P CA 1.580 64.531 63.100 -0.248 0.000 0.806 178 P CB 0.177 31.499 31.700 -0.630 0.000 0.771 179 N N -2.664 115.970 118.700 -0.110 0.000 2.205 179 N HA 0.073 4.813 4.740 0.000 0.000 0.201 179 N C 0.317 175.801 175.510 -0.042 0.000 1.128 179 N CA -0.149 52.866 53.050 -0.059 0.000 0.867 179 N CB -0.163 38.307 38.487 -0.028 0.000 0.996 179 N HN 0.026 nan 8.380 nan 0.000 0.503 180 L N 0.799 122.002 121.223 -0.033 0.000 2.421 180 L HA 0.493 4.833 4.340 0.000 0.000 0.263 180 L C -2.141 174.681 176.870 -0.080 0.000 1.122 180 L CA -2.272 52.546 54.840 -0.038 0.000 0.804 180 L CB 0.880 42.939 42.059 -0.000 0.000 1.150 180 L HN -0.066 nan 8.230 nan 0.000 0.457 181 P HA 0.058 nan 4.420 nan 0.000 0.269 181 P C -0.879 176.270 177.300 -0.252 0.000 1.209 181 P CA -0.169 62.832 63.100 -0.165 0.000 0.776 181 P CB 0.583 32.179 31.700 -0.172 0.000 0.876 182 S N 1.395 117.006 115.700 -0.149 0.000 2.576 182 S HA 0.230 4.701 4.470 0.000 0.000 0.276 182 S C -0.395 174.099 174.600 -0.177 0.000 1.339 182 S CA -0.058 58.098 58.200 -0.073 0.000 1.039 182 S CB -0.184 63.076 63.200 0.099 0.000 0.902 182 S HN 0.248 nan 8.310 nan 0.000 0.516 183 Y N 1.173 121.508 120.300 0.059 0.000 2.326 183 Y HA 0.364 4.914 4.550 0.000 0.000 0.337 183 Y C 0.783 176.635 175.900 -0.079 0.000 1.023 183 Y CA -0.605 57.509 58.100 0.022 0.000 1.143 183 Y CB 0.629 39.101 38.460 0.020 0.000 1.183 183 Y HN 0.504 nan 8.280 nan 0.000 0.485 184 R N 3.505 123.984 120.500 -0.036 0.000 2.210 184 R HA 0.269 4.609 4.340 0.000 0.000 0.338 184 R C 0.001 176.047 176.300 -0.423 0.000 1.062 184 R CA -0.057 55.727 56.100 -0.526 0.000 0.902 184 R CB 0.213 30.027 30.300 -0.811 0.000 1.050 184 R HN 0.832 nan 8.270 nan 0.000 0.461 185 I N 2.189 122.453 120.570 -0.510 0.000 2.206 185 I HA -0.124 4.046 4.170 0.000 0.000 0.239 185 I C 1.179 177.097 176.117 -0.333 0.000 1.078 185 I CA 1.284 62.383 61.300 -0.334 0.000 1.367 185 I CB -0.191 37.575 38.000 -0.390 0.000 1.078 185 I HN 0.653 nan 8.210 nan 0.000 0.413 186 T N -3.656 110.568 114.554 -0.549 0.000 2.925 186 T HA 0.289 4.639 4.350 0.000 0.000 0.285 186 T C -0.540 173.876 174.700 -0.474 0.000 1.021 186 T CA -0.538 61.336 62.100 -0.376 0.000 1.042 186 T CB 1.276 69.918 68.868 -0.377 0.000 1.037 186 T HN 0.262 nan 8.240 nan 0.000 0.481 187 W N 0.158 121.344 121.300 -0.190 0.000 2.304 187 W HA 0.239 4.899 4.660 0.000 0.000 0.326 187 W C 1.776 178.237 176.519 -0.097 0.000 0.920 187 W CA -0.184 57.084 57.345 -0.128 0.000 1.518 187 W CB 0.429 29.833 29.460 -0.093 0.000 1.112 187 W HN 0.936 nan 8.180 nan 0.000 0.528 188 T N -3.058 111.532 114.554 0.060 0.000 3.054 188 T HA 0.306 4.656 4.350 0.000 0.000 0.255 188 T C 1.130 175.821 174.700 -0.015 0.000 1.035 188 T CA 0.097 62.218 62.100 0.036 0.000 0.941 188 T CB -0.014 68.875 68.868 0.034 0.000 1.026 188 T HN -0.017 nan 8.240 nan 0.000 0.533 189 G N 1.324 110.085 108.800 -0.065 0.000 2.272 189 G HA2 0.370 4.330 3.960 0.000 0.000 0.247 189 G HA3 0.370 4.330 3.960 0.000 0.000 0.247 189 G C -0.665 174.165 174.900 -0.116 0.000 1.272 189 G CA -0.331 44.703 45.100 -0.110 0.000 0.921 189 G HN 0.497 nan 8.290 nan 0.000 0.495 190 K N 1.778 122.089 120.400 -0.149 0.000 2.565 190 K HA 0.160 4.480 4.320 0.000 0.000 0.249 190 K C -0.175 176.298 176.600 -0.212 0.000 0.958 190 K CA -0.658 55.546 56.287 -0.139 0.000 0.806 190 K CB 1.819 34.271 32.500 -0.079 0.000 1.194 190 K HN 0.663 nan 8.250 nan 0.000 0.434 191 E N 3.064 123.155 120.200 -0.182 0.000 2.558 191 E HA -0.150 4.200 4.350 0.000 0.000 0.255 191 E C -0.600 175.913 176.600 -0.146 0.000 0.968 191 E CA 0.907 57.201 56.400 -0.177 0.000 0.939 191 E CB 0.266 29.900 29.700 -0.110 0.000 0.921 191 E HN 0.615 nan 8.360 nan 0.000 0.477 192 D N 2.515 122.813 120.400 -0.170 0.000 3.046 192 D HA -0.244 4.396 4.640 0.000 0.000 0.210 192 D C 0.563 176.893 176.300 0.051 0.000 1.124 192 D CA 1.517 55.539 54.000 0.036 0.000 0.986 192 D CB -0.917 39.943 40.800 0.100 0.000 1.118 192 D HN 0.538 nan 8.370 nan 0.000 0.416 193 I N -1.117 119.372 120.570 -0.135 0.000 3.814 193 I HA 0.066 4.236 4.170 0.000 0.000 0.264 193 I C 0.259 176.400 176.117 0.041 0.000 1.145 193 I CA 0.009 61.321 61.300 0.020 0.000 1.375 193 I CB 0.834 38.840 38.000 0.011 0.000 1.638 193 I HN -0.174 nan 8.210 nan 0.000 0.432 194 I N 1.444 121.943 120.570 -0.119 0.000 2.406 194 I HA 0.279 4.449 4.170 0.000 0.000 0.290 194 I C -1.462 174.573 176.117 -0.136 0.000 0.999 194 I CA -0.442 60.859 61.300 0.002 0.000 1.124 194 I CB 0.933 38.947 38.000 0.024 0.000 1.289 194 I HN 0.040 nan 8.210 nan 0.000 0.441 195 Y N 4.346 124.747 120.300 0.169 0.000 2.388 195 Y HA 0.377 4.927 4.550 0.000 0.000 0.328 195 Y C 0.366 176.347 175.900 0.135 0.000 0.963 195 Y CA -0.837 57.361 58.100 0.163 0.000 1.240 195 Y CB 0.898 39.522 38.460 0.272 0.000 1.118 195 Y HN 0.416 nan 8.280 nan 0.000 0.484 196 N N 2.436 121.202 118.700 0.110 0.000 2.426 196 N HA 0.294 5.034 4.740 0.000 0.000 0.257 196 N C 0.939 176.388 175.510 -0.102 0.000 1.002 196 N CA 0.550 53.594 53.050 -0.010 0.000 0.942 196 N CB 1.711 40.089 38.487 -0.181 0.000 1.112 196 N HN 1.020 nan 8.380 nan 0.000 0.499 197 G N 1.753 110.514 108.800 -0.065 0.000 2.168 197 G HA2 -0.262 3.698 3.960 0.000 0.000 0.263 197 G HA3 -0.262 3.698 3.960 0.000 0.000 0.263 197 G C 0.107 174.842 174.900 -0.275 0.000 0.977 197 G CA 0.786 45.765 45.100 -0.202 0.000 0.659 197 G HN 0.681 nan 8.290 nan 0.000 0.533 198 I N -2.360 118.130 120.570 -0.133 0.000 2.865 198 I HA 0.775 4.945 4.170 0.000 0.000 0.302 198 I C 0.284 176.362 176.117 -0.066 0.000 1.140 198 I CA -0.746 60.357 61.300 -0.328 0.000 1.021 198 I CB 1.985 39.564 38.000 -0.702 0.000 1.233 198 I HN 0.146 nan 8.210 nan 0.000 0.427 199 T N -0.160 114.264 114.554 -0.216 0.000 2.904 199 T HA 0.319 4.669 4.350 0.000 0.000 0.290 199 T C -0.102 174.307 174.700 -0.485 0.000 1.018 199 T CA -0.657 61.151 62.100 -0.486 0.000 1.075 199 T CB 1.093 69.853 68.868 -0.180 0.000 0.986 199 T HN 0.765 nan 8.240 nan 0.000 0.523 200 D N 0.960 120.807 120.400 -0.922 0.000 2.447 200 D HA -0.010 4.630 4.640 0.000 0.000 0.265 200 D C 1.016 177.225 176.300 -0.152 0.000 1.250 200 D CA -1.031 52.493 54.000 -0.792 0.000 1.046 200 D CB 0.197 40.516 40.800 -0.803 0.000 1.095 200 D HN 0.716 nan 8.370 nan 0.000 0.555 201 W N 0.221 121.455 121.300 -0.110 0.000 2.317 201 W HA -0.242 4.418 4.660 0.000 0.000 0.318 201 W C 2.186 178.597 176.519 -0.180 0.000 1.227 201 W CA 2.512 59.785 57.345 -0.120 0.000 1.269 201 W CB -0.471 28.856 29.460 -0.223 0.000 1.155 201 W HN 0.196 nan 8.180 nan 0.000 0.484 202 V N -0.280 119.725 119.914 0.152 0.000 2.548 202 V HA -0.262 3.858 4.120 0.000 0.000 0.249 202 V C 1.813 177.742 176.094 -0.276 0.000 1.055 202 V CA 1.894 64.182 62.300 -0.020 0.000 1.065 202 V CB -0.704 31.091 31.823 -0.047 0.000 0.681 202 V HN 0.306 nan 8.190 nan 0.000 0.462 203 Y N 0.627 120.768 120.300 -0.265 0.000 2.263 203 Y HA -0.152 4.398 4.550 0.000 0.000 0.292 203 Y C 2.583 178.371 175.900 -0.186 0.000 1.130 203 Y CA 2.057 59.989 58.100 -0.279 0.000 1.179 203 Y CB -0.022 38.175 38.460 -0.438 0.000 0.998 203 Y HN 0.374 nan 8.280 nan 0.000 0.532 204 E N 0.387 120.549 120.200 -0.064 0.000 2.051 204 E HA -0.289 4.061 4.350 0.000 0.000 0.192 204 E C 1.971 178.532 176.600 -0.066 0.000 0.991 204 E CA 1.589 57.978 56.400 -0.017 0.000 0.799 204 E CB 0.031 29.718 29.700 -0.021 0.000 0.748 204 E HN 0.438 nan 8.360 nan 0.000 0.449 205 E N 0.009 119.997 120.200 -0.353 0.000 2.086 205 E HA -0.123 4.227 4.350 0.000 0.000 0.190 205 E C 1.576 178.063 176.600 -0.188 0.000 0.975 205 E CA 1.328 57.501 56.400 -0.378 0.000 0.813 205 E CB 0.245 29.365 29.700 -0.966 0.000 0.768 205 E HN 0.191 nan 8.360 nan 0.000 0.457 206 E N -0.832 119.233 120.200 -0.224 0.000 2.465 206 E HA 0.118 4.468 4.350 0.000 0.000 0.209 206 E C 1.664 178.134 176.600 -0.216 0.000 0.951 206 E CA 0.334 56.642 56.400 -0.153 0.000 0.997 206 E CB 1.062 30.667 29.700 -0.158 0.000 1.025 206 E HN 0.179 nan 8.360 nan 0.000 0.500 207 V N -0.223 119.506 119.914 -0.308 0.000 2.735 207 V HA 0.047 4.167 4.120 0.000 0.000 0.234 207 V C 1.385 177.285 176.094 -0.324 0.000 1.121 207 V CA 0.778 62.810 62.300 -0.447 0.000 1.160 207 V CB -0.219 31.158 31.823 -0.743 0.000 0.908 207 V HN 0.019 nan 8.190 nan 0.000 0.495 208 F N 0.711 120.687 119.950 0.042 0.000 2.749 208 F HA 0.285 4.812 4.527 0.000 0.000 0.300 208 F C 1.625 177.394 175.800 -0.051 0.000 1.103 208 F CA 0.000 58.036 58.000 0.059 0.000 1.342 208 F CB -0.529 38.551 39.000 0.134 0.000 1.098 208 F HN 0.078 nan 8.300 nan 0.000 0.586 209 S N 0.408 116.127 115.700 0.031 0.000 3.462 209 S HA -0.055 4.415 4.470 0.000 0.000 0.370 209 S C 0.238 174.418 174.600 -0.700 0.000 1.028 209 S CA 0.519 58.586 58.200 -0.223 0.000 1.119 209 S CB -1.700 61.432 63.200 -0.115 0.000 0.906 209 S HN 0.616 nan 8.310 nan 0.000 0.471 210 A N -0.908 121.752 122.820 -0.268 0.000 2.610 210 A HA 0.720 5.040 4.320 0.000 0.000 0.291 210 A C -0.252 177.326 177.584 -0.012 0.000 1.086 210 A CA -0.511 51.398 52.037 -0.214 0.000 0.677 210 A CB 0.394 19.274 19.000 -0.200 0.000 1.278 210 A HN 0.268 nan 8.150 nan 0.000 0.414 211 Y N 1.165 121.316 120.300 -0.248 0.000 2.347 211 Y HA 0.033 4.583 4.550 0.000 0.000 0.294 211 Y C 1.575 177.166 175.900 -0.514 0.000 1.117 211 Y CA 0.917 58.855 58.100 -0.271 0.000 1.184 211 Y CB 0.257 38.596 38.460 -0.202 0.000 1.047 211 Y HN 0.758 nan 8.280 nan 0.000 0.546 212 S N 0.784 115.931 115.700 -0.921 0.000 2.549 212 S HA 0.391 4.861 4.470 0.000 0.000 0.283 212 S C 0.091 174.132 174.600 -0.933 0.000 1.320 212 S CA -0.151 57.279 58.200 -1.283 0.000 1.058 212 S CB 1.558 63.617 63.200 -1.902 0.000 0.882 212 S HN 0.365 nan 8.310 nan 0.000 0.498 213 A N 3.565 125.840 122.820 -0.908 0.000 2.959 213 A HA 0.558 4.878 4.320 0.000 0.000 0.280 213 A C -0.322 176.512 177.584 -1.249 0.000 0.953 213 A CA -0.561 50.848 52.037 -1.046 0.000 1.047 213 A CB -0.048 18.844 19.000 -0.181 0.000 1.147 213 A HN 0.801 nan 8.150 nan 0.000 0.489 214 L N 0.474 120.852 121.223 -1.408 0.000 2.386 214 L HA 0.613 4.953 4.340 0.000 0.000 0.271 214 L C -1.226 175.106 176.870 -0.897 0.000 0.993 214 L CA -0.570 53.765 54.840 -0.842 0.000 0.819 214 L CB 1.952 43.744 42.059 -0.444 0.000 1.294 214 L HN 0.467 nan 8.230 nan 0.000 0.414 215 W N 2.671 123.991 121.300 0.032 0.000 2.664 215 W HA 0.209 4.869 4.660 0.000 0.000 0.314 215 W C -1.071 175.649 176.519 0.335 0.000 1.010 215 W CA -1.134 56.351 57.345 0.233 0.000 1.306 215 W CB 1.104 30.754 29.460 0.318 0.000 1.254 215 W HN 0.482 nan 8.180 nan 0.000 0.404 216 W N 2.238 123.753 121.300 0.359 0.000 2.137 216 W HA 0.213 4.873 4.660 0.000 0.000 0.344 216 W C 1.328 177.645 176.519 -0.337 0.000 1.286 216 W CA 0.416 57.830 57.345 0.114 0.000 1.240 216 W CB 0.648 30.143 29.460 0.058 0.000 1.141 216 W HN 0.179 nan 8.180 nan 0.000 0.579 217 S N 1.946 117.354 115.700 -0.487 0.000 2.585 217 S HA 0.149 4.619 4.470 0.000 0.000 0.273 217 S C -1.778 172.534 174.600 -0.480 0.000 1.339 217 S CA -1.058 56.316 58.200 -1.377 0.000 1.028 217 S CB 1.027 63.572 63.200 -1.093 0.000 0.906 217 S HN 0.277 nan 8.310 nan 0.000 0.528 218 P HA -0.167 nan 4.420 nan 0.000 0.218 218 P C 0.645 177.911 177.300 -0.057 0.000 1.150 218 P CA 1.650 64.703 63.100 -0.079 0.000 0.841 218 P CB -0.200 31.504 31.700 0.007 0.000 0.784 219 N N -2.686 115.963 118.700 -0.085 0.000 2.282 219 N HA 0.187 4.927 4.740 0.000 0.000 0.240 219 N C 0.899 176.337 175.510 -0.119 0.000 1.182 219 N CA 0.101 53.103 53.050 -0.080 0.000 0.874 219 N CB -0.546 37.911 38.487 -0.050 0.000 1.126 219 N HN 0.107 nan 8.380 nan 0.000 0.516 220 G N -0.506 108.227 108.800 -0.112 0.000 2.148 220 G HA2 -0.356 3.604 3.960 0.000 0.000 0.254 220 G HA3 -0.356 3.604 3.960 0.000 0.000 0.254 220 G C 0.869 175.786 174.900 0.028 0.000 0.981 220 G CA 0.899 45.941 45.100 -0.096 0.000 0.670 220 G HN 0.391 nan 8.290 nan 0.000 0.528 221 T N -0.171 114.331 114.554 -0.086 0.000 2.701 221 T HA 0.202 4.552 4.350 0.000 0.000 0.263 221 T C 0.902 175.417 174.700 -0.308 0.000 1.040 221 T CA 1.311 63.239 62.100 -0.287 0.000 1.147 221 T CB -0.049 68.503 68.868 -0.527 0.000 0.865 221 T HN 0.309 nan 8.240 nan 0.000 0.426 222 F N 0.431 120.432 119.950 0.085 0.000 2.458 222 F HA 0.613 5.141 4.527 0.000 0.000 0.330 222 F C -0.239 175.661 175.800 0.167 0.000 1.082 222 F CA -1.593 56.508 58.000 0.168 0.000 0.995 222 F CB 1.106 40.310 39.000 0.340 0.000 1.170 222 F HN -0.098 nan 8.300 nan 0.000 0.478 223 L N 3.001 124.378 121.223 0.256 0.000 2.318 223 L HA 0.744 5.084 4.340 0.000 0.000 0.277 223 L C -0.361 176.605 176.870 0.160 0.000 1.008 223 L CA -0.556 54.244 54.840 -0.066 0.000 0.846 223 L CB 0.389 42.121 42.059 -0.545 0.000 1.220 223 L HN 0.675 nan 8.230 nan 0.000 0.423 224 A N 4.959 127.964 122.820 0.308 0.000 2.340 224 A HA 0.671 4.991 4.320 0.000 0.000 0.268 224 A C -1.223 176.440 177.584 0.131 0.000 1.100 224 A CA -0.097 52.012 52.037 0.121 0.000 0.803 224 A CB 0.263 19.450 19.000 0.311 0.000 1.043 224 A HN 0.887 nan 8.150 nan 0.000 0.488 225 Y N -1.632 118.444 120.300 -0.374 0.000 2.592 225 Y HA 0.699 5.249 4.550 0.000 0.000 0.334 225 Y C -0.430 175.300 175.900 -0.284 0.000 1.136 225 Y CA -0.872 57.100 58.100 -0.213 0.000 1.042 225 Y CB 0.763 39.088 38.460 -0.226 0.000 1.325 225 Y HN 0.925 nan 8.280 nan 0.000 0.457 226 A N 2.924 125.830 122.820 0.144 0.000 2.312 226 A HA 0.661 4.981 4.320 0.000 0.000 0.328 226 A C -1.043 176.443 177.584 -0.163 0.000 1.158 226 A CA -0.812 51.194 52.037 -0.051 0.000 0.821 226 A CB 1.639 20.613 19.000 -0.043 0.000 1.170 226 A HN 0.824 nan 8.150 nan 0.000 0.490 227 Q N 0.999 120.639 119.800 -0.266 0.000 2.337 227 Q HA 0.644 4.984 4.340 0.000 0.000 0.266 227 Q C -1.983 173.766 176.000 -0.417 0.000 1.023 227 Q CA -0.397 55.335 55.803 -0.118 0.000 0.829 227 Q CB 1.166 30.067 28.738 0.273 0.000 1.306 227 Q HN 0.613 nan 8.270 nan 0.000 0.449 228 F N 1.897 121.966 119.950 0.199 0.000 2.522 228 F HA 0.444 4.971 4.527 0.000 0.000 0.324 228 F C 0.258 176.228 175.800 0.283 0.000 1.077 228 F CA -0.945 57.159 58.000 0.174 0.000 0.944 228 F CB 1.614 40.644 39.000 0.049 0.000 1.175 228 F HN 0.421 nan 8.300 nan 0.000 0.468 229 N N 1.503 120.449 118.700 0.410 0.000 2.531 229 N HA 0.227 4.967 4.740 0.000 0.000 0.268 229 N C -1.063 174.631 175.510 0.307 0.000 1.023 229 N CA -0.347 52.892 53.050 0.315 0.000 0.896 229 N CB 0.969 39.580 38.487 0.208 0.000 1.233 229 N HN 0.513 nan 8.380 nan 0.000 0.512 230 D N 1.473 122.077 120.400 0.341 0.000 2.491 230 D HA 0.144 4.784 4.640 0.000 0.000 0.228 230 D C 1.137 177.556 176.300 0.200 0.000 1.183 230 D CA 0.150 54.327 54.000 0.296 0.000 0.827 230 D CB 0.506 41.550 40.800 0.408 0.000 0.989 230 D HN 0.454 nan 8.370 nan 0.000 0.494 231 T N 0.197 114.846 114.554 0.159 0.000 2.652 231 T HA -0.165 4.185 4.350 0.000 0.000 0.267 231 T C 1.386 176.141 174.700 0.092 0.000 1.039 231 T CA 1.205 63.371 62.100 0.110 0.000 1.153 231 T CB -0.015 68.907 68.868 0.090 0.000 0.863 231 T HN 0.274 nan 8.240 nan 0.000 0.428 232 E N 0.580 120.834 120.200 0.090 0.000 2.463 232 E HA 0.166 4.516 4.350 0.000 0.000 0.193 232 E C -0.420 176.228 176.600 0.078 0.000 1.041 232 E CA -0.260 56.183 56.400 0.072 0.000 0.879 232 E CB 0.403 30.139 29.700 0.059 0.000 0.997 232 E HN 0.195 nan 8.360 nan 0.000 0.478 233 V N 3.791 123.767 119.914 0.102 0.000 2.479 233 V HA 0.078 4.198 4.120 0.000 0.000 0.281 233 V C -2.017 174.132 176.094 0.093 0.000 1.031 233 V CA -1.459 60.905 62.300 0.107 0.000 1.038 233 V CB 0.184 32.092 31.823 0.141 0.000 0.981 233 V HN 0.051 nan 8.190 nan 0.000 0.478 234 P HA 0.260 nan 4.420 nan 0.000 0.272 234 P C -0.663 176.669 177.300 0.054 0.000 1.223 234 P CA -0.304 62.830 63.100 0.056 0.000 0.784 234 P CB 0.522 32.251 31.700 0.049 0.000 0.923 235 L N 2.584 123.818 121.223 0.019 0.000 2.292 235 L HA 0.388 4.728 4.340 0.000 0.000 0.284 235 L C 0.589 177.408 176.870 -0.085 0.000 1.065 235 L CA -0.962 53.871 54.840 -0.011 0.000 0.806 235 L CB 0.679 42.728 42.059 -0.017 0.000 1.175 235 L HN 0.311 nan 8.230 nan 0.000 0.431 236 I N 2.952 123.423 120.570 -0.166 0.000 2.474 236 I HA 0.177 4.347 4.170 0.000 0.000 0.287 236 I C -0.199 175.776 176.117 -0.236 0.000 1.048 236 I CA 0.347 61.443 61.300 -0.340 0.000 1.383 236 I CB 0.668 38.163 38.000 -0.842 0.000 1.412 236 I HN 0.577 nan 8.210 nan 0.000 0.531 237 E N 7.326 127.407 120.200 -0.198 0.000 2.234 237 E HA 0.492 4.842 4.350 0.000 0.000 0.266 237 E C -1.769 174.787 176.600 -0.073 0.000 0.877 237 E CA -0.596 55.695 56.400 -0.182 0.000 0.758 237 E CB 1.958 31.572 29.700 -0.143 0.000 1.170 237 E HN 0.573 nan 8.360 nan 0.000 0.415 238 Y N -1.695 118.526 120.300 -0.132 0.000 2.597 238 Y HA 0.544 5.094 4.550 0.000 0.000 0.340 238 Y C -0.621 175.211 175.900 -0.114 0.000 1.097 238 Y CA -1.338 56.691 58.100 -0.117 0.000 1.037 238 Y CB 0.848 39.255 38.460 -0.088 0.000 1.305 238 Y HN 0.198 nan 8.280 nan 0.000 0.463 239 S N 2.069 117.736 115.700 -0.054 0.000 2.565 239 S HA 0.399 4.869 4.470 0.000 0.000 0.276 239 S C -1.254 173.166 174.600 -0.300 0.000 1.326 239 S CA -0.373 57.644 58.200 -0.304 0.000 1.045 239 S CB 0.372 63.224 63.200 -0.580 0.000 0.918 239 S HN 0.549 nan 8.310 nan 0.000 0.505 240 F N 2.101 121.791 119.950 -0.432 0.000 2.477 240 F HA 0.423 4.950 4.527 0.000 0.000 0.335 240 F C -0.093 175.490 175.800 -0.361 0.000 1.130 240 F CA -0.847 56.992 58.000 -0.269 0.000 0.948 240 F CB 0.861 39.827 39.000 -0.057 0.000 1.154 240 F HN 0.655 nan 8.300 nan 0.000 0.439 241 Y N 2.689 122.807 120.300 -0.304 0.000 2.448 241 Y HA 0.111 4.661 4.550 0.000 0.000 0.289 241 Y C 1.644 177.493 175.900 -0.085 0.000 1.114 241 Y CA 1.037 59.042 58.100 -0.158 0.000 1.235 241 Y CB -0.401 37.949 38.460 -0.183 0.000 1.045 241 Y HN 0.738 nan 8.280 nan 0.000 0.554 242 S N -0.053 115.605 115.700 -0.070 0.000 3.585 242 S HA -0.308 4.162 4.470 0.000 0.000 0.638 242 S C -0.217 174.444 174.600 0.103 0.000 2.340 242 S CA 0.095 58.390 58.200 0.158 0.000 2.517 242 S CB -1.294 62.078 63.200 0.288 0.000 0.329 242 S HN 0.602 nan 8.310 nan 0.000 1.795 243 D N 0.977 121.452 120.400 0.126 0.000 2.478 243 D HA 0.135 4.775 4.640 0.000 0.000 0.234 243 D C 1.445 177.786 176.300 0.067 0.000 1.154 243 D CA 1.119 55.171 54.000 0.086 0.000 0.874 243 D CB 0.355 41.206 40.800 0.084 0.000 1.198 243 D HN 0.532 nan 8.370 nan 0.000 0.455 244 E N 0.867 121.094 120.200 0.045 0.000 2.208 244 E HA -0.296 4.054 4.350 0.000 0.000 0.202 244 E C 1.475 178.094 176.600 0.032 0.000 1.014 244 E CA 1.489 57.906 56.400 0.028 0.000 0.819 244 E CB 0.011 29.722 29.700 0.018 0.000 0.735 244 E HN 0.552 nan 8.360 nan 0.000 0.469 245 S N -0.190 115.535 115.700 0.042 0.000 2.489 245 S HA -0.025 4.445 4.470 0.000 0.000 0.228 245 S C 1.051 175.683 174.600 0.053 0.000 0.995 245 S CA -0.137 58.088 58.200 0.041 0.000 0.934 245 S CB -0.046 63.179 63.200 0.043 0.000 0.771 245 S HN 0.220 nan 8.310 nan 0.000 0.522 246 L N 2.514 123.779 121.223 0.069 0.000 2.530 246 L HA 0.130 4.470 4.340 0.000 0.000 0.273 246 L C 1.609 178.525 176.870 0.076 0.000 1.141 246 L CA 0.049 54.942 54.840 0.089 0.000 0.905 246 L CB 0.864 42.992 42.059 0.114 0.000 1.202 246 L HN 0.457 nan 8.230 nan 0.000 0.473 247 Q N 4.161 124.013 119.800 0.087 0.000 2.079 247 Q HA -0.105 4.235 4.340 0.000 0.000 0.200 247 Q C -0.547 175.410 176.000 -0.072 0.000 0.974 247 Q CA 1.410 57.223 55.803 0.018 0.000 0.840 247 Q CB 0.196 28.976 28.738 0.069 0.000 0.898 247 Q HN 0.606 nan 8.270 nan 0.000 0.430 248 Y N 0.618 120.936 120.300 0.030 0.000 2.352 248 Y HA 0.380 4.930 4.550 0.000 0.000 0.339 248 Y C -2.027 173.891 175.900 0.030 0.000 0.992 248 Y CA -2.990 55.125 58.100 0.026 0.000 1.100 248 Y CB 1.364 39.831 38.460 0.011 0.000 1.192 248 Y HN 0.168 nan 8.280 nan 0.000 0.458 249 P HA 0.046 nan 4.420 nan 0.000 0.269 249 P C -1.026 176.299 177.300 0.041 0.000 1.215 249 P CA -0.506 62.633 63.100 0.065 0.000 0.780 249 P CB 0.638 32.330 31.700 -0.014 0.000 0.898 250 K N 0.013 120.418 120.400 0.009 0.000 2.118 250 K HA 0.546 4.866 4.320 0.000 0.000 0.254 250 K C -0.887 175.671 176.600 -0.070 0.000 0.961 250 K CA -0.591 55.693 56.287 -0.005 0.000 0.876 250 K CB 0.770 33.283 32.500 0.023 0.000 1.077 250 K HN 0.207 nan 8.250 nan 0.000 0.440 251 T N 2.306 116.805 114.554 -0.093 0.000 2.743 251 T HA 0.225 4.575 4.350 0.000 0.000 0.292 251 T C -0.427 174.148 174.700 -0.208 0.000 0.972 251 T CA -0.736 61.272 62.100 -0.154 0.000 0.967 251 T CB 0.988 69.780 68.868 -0.126 0.000 0.926 251 T HN 0.386 nan 8.240 nan 0.000 0.459 252 V N 5.259 124.952 119.914 -0.368 0.000 2.530 252 V HA 0.352 4.472 4.120 0.000 0.000 0.282 252 V C 0.512 176.343 176.094 -0.438 0.000 1.048 252 V CA -0.364 61.664 62.300 -0.454 0.000 0.997 252 V CB 0.663 32.051 31.823 -0.726 0.000 0.987 252 V HN 0.721 nan 8.190 nan 0.000 0.477 253 R N 3.494 123.865 120.500 -0.215 0.000 2.422 253 R HA 0.628 4.968 4.340 0.000 0.000 0.307 253 R C -1.514 174.776 176.300 -0.018 0.000 1.004 253 R CA -0.433 55.590 56.100 -0.129 0.000 0.882 253 R CB 1.943 32.195 30.300 -0.080 0.000 1.164 253 R HN 0.534 nan 8.270 nan 0.000 0.489 254 V N 4.704 124.609 119.914 -0.014 0.000 2.409 254 V HA 0.369 4.489 4.120 0.000 0.000 0.291 254 V C -2.084 174.058 176.094 0.079 0.000 1.020 254 V CA -2.363 59.993 62.300 0.093 0.000 0.848 254 V CB 1.816 33.666 31.823 0.045 0.000 0.990 254 V HN 0.619 nan 8.190 nan 0.000 0.430 255 P HA 0.136 nan 4.420 nan 0.000 0.271 255 P C -1.225 176.176 177.300 0.169 0.000 1.233 255 P CA 0.258 63.457 63.100 0.165 0.000 0.764 255 P CB 0.056 31.893 31.700 0.228 0.000 0.825 256 Y N 6.010 126.278 120.300 -0.053 0.000 2.298 256 Y HA 0.346 4.896 4.550 0.000 0.000 0.322 256 Y C -2.736 173.116 175.900 -0.080 0.000 1.138 256 Y CA -2.527 55.477 58.100 -0.161 0.000 1.127 256 Y CB 2.286 40.516 38.460 -0.382 0.000 1.178 256 Y HN 0.244 nan 8.280 nan 0.000 0.428 257 P HA 0.262 nan 4.420 nan 0.000 0.292 257 P C -1.157 176.177 177.300 0.057 0.000 1.326 257 P CA -0.180 62.947 63.100 0.045 0.000 0.787 257 P CB 1.542 33.253 31.700 0.019 0.000 0.903 258 K N 1.916 122.436 120.400 0.200 0.000 2.127 258 K HA 0.556 4.876 4.320 0.000 0.000 0.240 258 K C 0.477 177.177 176.600 0.167 0.000 1.024 258 K CA -0.826 55.605 56.287 0.240 0.000 0.918 258 K CB 0.624 33.291 32.500 0.277 0.000 1.108 258 K HN 0.432 nan 8.250 nan 0.000 0.485 259 A N 0.723 123.670 122.820 0.212 0.000 2.561 259 A HA 0.305 4.625 4.320 0.000 0.000 0.251 259 A C 1.169 178.803 177.584 0.083 0.000 1.062 259 A CA 1.061 53.213 52.037 0.192 0.000 0.761 259 A CB -1.266 17.935 19.000 0.334 0.000 0.986 259 A HN 0.888 nan 8.150 nan 0.000 0.510 260 G N 1.328 110.164 108.800 0.060 0.000 2.299 260 G HA2 0.096 4.056 3.960 0.000 0.000 0.237 260 G HA3 0.096 4.056 3.960 0.000 0.000 0.237 260 G C 0.805 175.723 174.900 0.030 0.000 1.027 260 G CA 0.587 45.696 45.100 0.015 0.000 0.619 260 G HN 2.207 nan 8.290 nan 0.000 0.513 261 A N 0.201 123.053 122.820 0.054 0.000 2.366 261 A HA 0.624 4.944 4.320 0.000 0.000 0.250 261 A C 0.997 178.613 177.584 0.053 0.000 1.099 261 A CA 0.534 52.604 52.037 0.056 0.000 0.794 261 A CB 0.385 19.432 19.000 0.078 0.000 1.056 261 A HN 1.249 nan 8.150 nan 0.000 0.499 262 V N 2.612 122.557 119.914 0.052 0.000 2.493 262 V HA -0.013 4.107 4.120 0.000 0.000 0.292 262 V C 0.519 176.655 176.094 0.070 0.000 1.016 262 V CA 0.095 62.426 62.300 0.052 0.000 1.097 262 V CB -0.423 31.431 31.823 0.052 0.000 0.947 262 V HN 0.812 nan 8.190 nan 0.000 0.479 263 N N 6.635 125.375 118.700 0.067 0.000 2.463 263 N HA 0.438 5.178 4.740 0.000 0.000 0.270 263 N C -2.325 173.266 175.510 0.135 0.000 1.205 263 N CA -1.499 51.611 53.050 0.100 0.000 0.974 263 N CB 0.979 39.518 38.487 0.086 0.000 1.197 263 N HN 0.389 nan 8.380 nan 0.000 0.504 264 P HA 0.080 nan 4.420 nan 0.000 0.272 264 P C -0.491 176.969 177.300 0.268 0.000 1.223 264 P CA -0.136 63.131 63.100 0.278 0.000 0.784 264 P CB 0.297 32.236 31.700 0.398 0.000 0.923 265 T N -1.388 113.303 114.554 0.227 0.000 2.945 265 T HA 0.578 4.928 4.350 0.000 0.000 0.286 265 T C -0.327 174.494 174.700 0.201 0.000 1.025 265 T CA -0.824 61.365 62.100 0.148 0.000 1.039 265 T CB 1.485 70.403 68.868 0.082 0.000 1.068 265 T HN 0.302 nan 8.240 nan 0.000 0.497 266 V N 0.924 120.926 119.914 0.147 0.000 2.876 266 V HA 0.742 4.862 4.120 0.000 0.000 0.312 266 V C -1.400 174.752 176.094 0.096 0.000 1.085 266 V CA -0.888 61.457 62.300 0.075 0.000 0.945 266 V CB 2.104 33.992 31.823 0.109 0.000 1.017 266 V HN 1.051 nan 8.190 nan 0.000 0.428 267 K N 4.441 124.822 120.400 -0.031 0.000 2.426 267 K HA 0.546 4.866 4.320 0.000 0.000 0.251 267 K C -1.848 174.592 176.600 -0.266 0.000 0.941 267 K CA -0.474 55.731 56.287 -0.136 0.000 0.808 267 K CB 2.793 35.160 32.500 -0.221 0.000 1.265 267 K HN 0.543 nan 8.250 nan 0.000 0.432 268 F N 2.382 122.008 119.950 -0.540 0.000 2.495 268 F HA 0.568 5.096 4.527 0.000 0.000 0.327 268 F C -1.330 173.911 175.800 -0.932 0.000 1.103 268 F CA -0.659 57.013 58.000 -0.547 0.000 0.949 268 F CB 0.805 39.660 39.000 -0.242 0.000 1.142 268 F HN 0.393 nan 8.300 nan 0.000 0.457 269 F N 3.866 123.096 119.950 -1.199 0.000 2.603 269 F HA 0.761 5.288 4.527 0.000 0.000 0.317 269 F C -0.979 174.127 175.800 -1.156 0.000 1.066 269 F CA -1.185 56.180 58.000 -1.058 0.000 0.941 269 F CB 2.131 40.357 39.000 -1.290 0.000 1.291 269 F HN 0.107 nan 8.300 nan 0.000 0.472 270 V N 2.351 122.022 119.914 -0.405 0.000 2.760 270 V HA 0.650 4.770 4.120 0.000 0.000 0.309 270 V C -1.293 174.883 176.094 0.137 0.000 1.077 270 V CA -0.833 61.331 62.300 -0.227 0.000 0.910 270 V CB 2.186 33.684 31.823 -0.542 0.000 1.008 270 V HN 0.582 nan 8.190 nan 0.000 0.424 271 V N 3.948 124.027 119.914 0.275 0.000 2.709 271 V HA 0.575 4.696 4.120 0.000 0.000 0.308 271 V C -0.636 175.690 176.094 0.387 0.000 1.062 271 V CA -0.606 61.885 62.300 0.318 0.000 0.901 271 V CB 2.244 34.199 31.823 0.221 0.000 1.003 271 V HN 0.924 nan 8.190 nan 0.000 0.425 272 N N 3.344 122.247 118.700 0.338 0.000 2.406 272 N HA 0.160 4.901 4.740 0.000 0.000 0.251 272 N C 1.020 176.528 175.510 -0.004 0.000 1.069 272 N CA 0.524 53.639 53.050 0.109 0.000 0.947 272 N CB 1.711 40.248 38.487 0.083 0.000 1.111 272 N HN 0.879 nan 8.380 nan 0.000 0.497 273 T N -0.609 113.925 114.554 -0.033 0.000 3.148 273 T HA 0.063 4.413 4.350 0.000 0.000 0.253 273 T C 0.532 175.185 174.700 -0.079 0.000 1.134 273 T CA 0.448 62.544 62.100 -0.008 0.000 1.051 273 T CB 0.229 69.201 68.868 0.172 0.000 0.959 273 T HN 0.287 nan 8.240 nan 0.000 0.525 274 D N 1.769 122.096 120.400 -0.121 0.000 2.346 274 D HA 0.057 4.697 4.640 0.000 0.000 0.206 274 D C 1.760 177.998 176.300 -0.104 0.000 1.001 274 D CA 0.709 54.639 54.000 -0.117 0.000 0.871 274 D CB 0.239 40.957 40.800 -0.136 0.000 0.943 274 D HN 0.633 nan 8.370 nan 0.000 0.518 275 S N -0.120 115.523 115.700 -0.094 0.000 2.582 275 S HA 0.146 4.616 4.470 0.000 0.000 0.234 275 S C 0.578 175.122 174.600 -0.094 0.000 0.961 275 S CA -0.477 57.687 58.200 -0.059 0.000 0.953 275 S CB 0.011 63.210 63.200 -0.002 0.000 0.800 275 S HN -0.098 nan 8.310 nan 0.000 0.471 276 L N 3.505 124.604 121.223 -0.206 0.000 2.536 276 L HA 0.329 4.669 4.340 0.000 0.000 0.282 276 L C 0.659 177.309 176.870 -0.366 0.000 1.174 276 L CA 0.203 54.825 54.840 -0.363 0.000 0.989 276 L CB -0.376 41.265 42.059 -0.697 0.000 1.311 276 L HN 0.340 nan 8.230 nan 0.000 0.455 277 S N 1.149 116.788 115.700 -0.102 0.000 2.585 277 S HA 0.192 4.662 4.470 0.000 0.000 0.273 277 S C 1.273 175.990 174.600 0.195 0.000 1.339 277 S CA 0.033 58.256 58.200 0.038 0.000 1.028 277 S CB 0.774 64.005 63.200 0.052 0.000 0.906 277 S HN 0.708 nan 8.310 nan 0.000 0.528 278 S N 2.615 118.489 115.700 0.290 0.000 2.524 278 S HA 0.097 4.567 4.470 0.000 0.000 0.215 278 S C 1.137 175.844 174.600 0.178 0.000 0.986 278 S CA 0.029 58.423 58.200 0.324 0.000 0.911 278 S CB 0.094 63.464 63.200 0.282 0.000 0.805 278 S HN 0.516 nan 8.310 nan 0.000 0.501 279 V N 1.071 121.065 119.914 0.133 0.000 3.174 279 V HA 0.238 4.358 4.120 0.000 0.000 0.254 279 V C 1.130 177.269 176.094 0.076 0.000 1.120 279 V CA 1.158 63.511 62.300 0.089 0.000 1.114 279 V CB 0.027 31.890 31.823 0.066 0.000 0.756 279 V HN 0.664 nan 8.190 nan 0.000 0.467 280 T N 0.106 114.712 114.554 0.088 0.000 2.933 280 T HA 0.339 4.689 4.350 0.000 0.000 0.305 280 T C -0.564 174.192 174.700 0.093 0.000 1.092 280 T CA -0.706 61.432 62.100 0.064 0.000 1.008 280 T CB 1.224 70.115 68.868 0.040 0.000 1.102 280 T HN 0.134 nan 8.240 nan 0.000 0.469 281 N N 2.502 121.245 118.700 0.072 0.000 2.293 281 N HA 0.227 4.967 4.740 0.000 0.000 0.253 281 N C 0.319 175.896 175.510 0.111 0.000 1.248 281 N CA 0.322 53.446 53.050 0.124 0.000 0.845 281 N CB 0.614 39.104 38.487 0.006 0.000 1.073 281 N HN 0.887 nan 8.380 nan 0.000 0.464 282 A N 1.717 124.623 122.820 0.143 0.000 2.462 282 A HA 0.286 4.606 4.320 0.000 0.000 0.243 282 A C 0.673 178.305 177.584 0.080 0.000 1.076 282 A CA -0.258 51.833 52.037 0.090 0.000 0.773 282 A CB -0.027 19.013 19.000 0.066 0.000 1.010 282 A HN 0.649 nan 8.150 nan 0.000 0.493 283 T N 0.205 114.806 114.554 0.078 0.000 2.771 283 T HA 0.601 4.951 4.350 0.000 0.000 0.281 283 T C -0.161 174.604 174.700 0.109 0.000 0.982 283 T CA -0.451 61.697 62.100 0.080 0.000 0.978 283 T CB 0.771 69.689 68.868 0.083 0.000 0.930 283 T HN 0.437 nan 8.240 nan 0.000 0.447 284 S N 4.165 119.913 115.700 0.080 0.000 2.462 284 S HA 0.508 4.978 4.470 0.000 0.000 0.294 284 S C 0.117 174.829 174.600 0.186 0.000 1.144 284 S CA -0.943 57.321 58.200 0.107 0.000 1.088 284 S CB 0.427 63.608 63.200 -0.032 0.000 1.009 284 S HN 0.664 nan 8.310 nan 0.000 0.484 285 I N 3.075 123.796 120.570 0.252 0.000 2.352 285 I HA 0.252 4.422 4.170 0.000 0.000 0.290 285 I C 0.608 176.873 176.117 0.246 0.000 1.036 285 I CA -0.218 61.249 61.300 0.279 0.000 1.336 285 I CB 0.570 38.806 38.000 0.393 0.000 1.407 285 I HN 0.684 nan 8.210 nan 0.000 0.497 286 Q N 6.093 126.028 119.800 0.224 0.000 2.288 286 Q HA 0.403 4.743 4.340 0.000 0.000 0.258 286 Q C -0.815 175.163 176.000 -0.037 0.000 0.957 286 Q CA -0.398 55.390 55.803 -0.025 0.000 0.919 286 Q CB 0.945 29.658 28.738 -0.041 0.000 1.185 286 Q HN 0.541 nan 8.270 nan 0.000 0.408 287 I N 4.720 125.240 120.570 -0.083 0.000 2.291 287 I HA 0.141 4.311 4.170 0.000 0.000 0.290 287 I C 0.496 176.592 176.117 -0.036 0.000 1.050 287 I CA -0.541 60.760 61.300 0.002 0.000 1.245 287 I CB 1.032 39.071 38.000 0.064 0.000 1.405 287 I HN 0.646 nan 8.210 nan 0.000 0.478 288 T N 3.154 117.646 114.554 -0.103 0.000 2.860 288 T HA 0.514 4.864 4.350 0.000 0.000 0.299 288 T C 0.455 174.929 174.700 -0.376 0.000 1.045 288 T CA -0.940 61.034 62.100 -0.211 0.000 1.071 288 T CB 1.246 69.996 68.868 -0.197 0.000 0.985 288 T HN 0.587 nan 8.240 nan 0.000 0.537 289 A N 2.903 125.256 122.820 -0.780 0.000 2.386 289 A HA 0.561 4.881 4.320 0.000 0.000 0.248 289 A C -2.132 174.962 177.584 -0.816 0.000 1.082 289 A CA -1.474 49.683 52.037 -1.467 0.000 0.789 289 A CB -0.784 16.947 19.000 -2.115 0.000 1.025 289 A HN 0.710 nan 8.150 nan 0.000 0.490 290 P HA 0.248 nan 4.420 nan 0.000 0.272 290 P C 0.904 177.994 177.300 -0.351 0.000 1.230 290 P CA 0.477 63.350 63.100 -0.377 0.000 0.788 290 P CB 0.621 32.175 31.700 -0.243 0.000 0.949 291 A N 1.911 124.591 122.820 -0.234 0.000 1.903 291 A HA -0.249 4.071 4.320 0.000 0.000 0.219 291 A C 2.121 179.589 177.584 -0.194 0.000 1.191 291 A CA 2.761 54.681 52.037 -0.195 0.000 0.638 291 A CB -2.046 16.873 19.000 -0.135 0.000 0.823 291 A HN 0.648 nan 8.150 nan 0.000 0.451 292 S N -1.513 114.091 115.700 -0.160 0.000 2.493 292 S HA -0.091 4.379 4.470 0.000 0.000 0.243 292 S C 1.648 176.144 174.600 -0.173 0.000 0.991 292 S CA 1.591 59.704 58.200 -0.145 0.000 0.957 292 S CB -0.288 62.874 63.200 -0.063 0.000 0.756 292 S HN 0.433 nan 8.310 nan 0.000 0.521 293 M N 0.526 119.970 119.600 -0.260 0.000 2.657 293 M HA 0.366 4.846 4.480 0.000 0.000 0.262 293 M C 1.957 177.955 176.300 -0.504 0.000 1.213 293 M CA 0.619 55.698 55.300 -0.368 0.000 1.182 293 M CB -1.018 31.259 32.600 -0.539 0.000 1.303 293 M HN 0.316 nan 8.290 nan 0.000 0.501 294 L N 1.101 122.032 121.223 -0.486 0.000 2.275 294 L HA -0.163 4.177 4.340 0.000 0.000 0.215 294 L C 2.357 179.136 176.870 -0.151 0.000 1.119 294 L CA 0.516 55.152 54.840 -0.339 0.000 0.790 294 L CB -0.988 40.901 42.059 -0.283 0.000 0.919 294 L HN 0.282 nan 8.230 nan 0.000 0.443 295 I N -1.667 118.815 120.570 -0.146 0.000 2.315 295 I HA -0.028 4.142 4.170 0.000 0.000 0.251 295 I C 1.152 177.237 176.117 -0.053 0.000 1.125 295 I CA 1.368 62.611 61.300 -0.095 0.000 1.392 295 I CB -0.856 37.079 38.000 -0.109 0.000 1.065 295 I HN 0.048 nan 8.210 nan 0.000 0.424 296 G N -0.861 107.925 108.800 -0.022 0.000 2.815 296 G HA2 0.363 4.323 3.960 0.000 0.000 0.305 296 G HA3 0.363 4.323 3.960 0.000 0.000 0.305 296 G C -1.729 173.230 174.900 0.099 0.000 1.277 296 G CA -0.567 44.542 45.100 0.015 0.000 0.795 296 G HN 0.025 nan 8.290 nan 0.000 0.528 297 D N 1.277 121.681 120.400 0.006 0.000 2.414 297 D HA 0.417 5.057 4.640 0.000 0.000 0.242 297 D C 0.173 176.407 176.300 -0.110 0.000 1.129 297 D CA 0.764 54.705 54.000 -0.098 0.000 0.885 297 D CB 0.429 41.140 40.800 -0.149 0.000 1.198 297 D HN 0.545 nan 8.370 nan 0.000 0.437 298 H N -0.516 118.388 119.070 -0.277 0.000 3.003 298 H HA 0.349 4.905 4.556 0.000 0.000 0.327 298 H C -1.480 173.700 175.328 -0.247 0.000 1.353 298 H CA -0.802 55.098 56.048 -0.247 0.000 1.142 298 H CB 0.138 29.882 29.762 -0.031 0.000 1.864 298 H HN 0.283 nan 8.280 nan 0.000 0.529 299 Y N 0.418 120.921 120.300 0.339 0.000 2.562 299 Y HA 0.424 4.974 4.550 0.000 0.000 0.343 299 Y C -0.125 176.040 175.900 0.443 0.000 1.025 299 Y CA -1.255 57.057 58.100 0.355 0.000 1.082 299 Y CB 1.854 40.376 38.460 0.104 0.000 1.264 299 Y HN 0.500 nan 8.280 nan 0.000 0.478 300 L N 2.845 124.391 121.223 0.538 0.000 2.265 300 L HA 0.400 4.740 4.340 0.000 0.000 0.288 300 L C 0.346 177.231 176.870 0.024 0.000 1.058 300 L CA -0.147 54.664 54.840 -0.048 0.000 0.809 300 L CB 0.392 42.290 42.059 -0.268 0.000 1.179 300 L HN 1.009 nan 8.230 nan 0.000 0.429 301 C N 0.730 119.933 119.300 -0.163 0.000 3.559 301 C HA 0.595 5.055 4.460 0.000 0.000 0.314 301 C C 0.130 175.061 174.990 -0.100 0.000 1.419 301 C CA -0.267 58.617 59.018 -0.222 0.000 1.775 301 C CB -1.226 26.435 27.740 -0.132 0.000 2.430 301 C HN 0.883 nan 8.230 nan 0.000 0.686 302 D N -0.025 120.293 120.400 -0.137 0.000 2.937 302 D HA 0.549 5.189 4.640 0.000 0.000 0.215 302 D C -1.481 174.532 176.300 -0.478 0.000 1.274 302 D CA -0.111 53.798 54.000 -0.153 0.000 0.869 302 D CB 2.202 42.905 40.800 -0.162 0.000 1.675 302 D HN 0.026 nan 8.370 nan 0.000 0.538 303 V N 2.935 122.474 119.914 -0.624 0.000 2.483 303 V HA 0.696 4.816 4.120 0.000 0.000 0.297 303 V C -0.490 175.216 176.094 -0.646 0.000 1.027 303 V CA -0.393 61.310 62.300 -0.996 0.000 0.855 303 V CB 1.910 32.560 31.823 -1.955 0.000 0.995 303 V HN 0.723 nan 8.190 nan 0.000 0.424 304 T N 3.606 117.868 114.554 -0.487 0.000 3.143 304 T HA 0.331 4.681 4.350 0.000 0.000 0.312 304 T C -0.879 173.692 174.700 -0.215 0.000 0.986 304 T CA -0.502 61.480 62.100 -0.197 0.000 1.024 304 T CB 0.747 69.578 68.868 -0.061 0.000 1.030 304 T HN 0.519 nan 8.240 nan 0.000 0.448 305 W N 2.023 123.256 121.300 -0.111 0.000 2.190 305 W HA 0.485 5.145 4.660 0.000 0.000 0.330 305 W C 1.166 177.535 176.519 -0.250 0.000 1.299 305 W CA -0.223 57.042 57.345 -0.132 0.000 1.215 305 W CB 0.570 30.038 29.460 0.013 0.000 1.147 305 W HN 0.841 nan 8.180 nan 0.000 0.563 306 A N 1.630 124.302 122.820 -0.246 0.000 1.938 306 A HA 0.177 4.497 4.320 0.000 0.000 0.207 306 A C 0.996 178.526 177.584 -0.090 0.000 1.292 306 A CA 1.511 53.158 52.037 -0.650 0.000 0.700 306 A CB -0.530 17.656 19.000 -1.356 0.000 0.947 306 A HN 0.541 nan 8.150 nan 0.000 0.476 307 T N -5.066 109.530 114.554 0.070 0.000 2.604 307 T HA 0.344 4.694 4.350 0.000 0.000 0.267 307 T C 0.351 175.206 174.700 0.259 0.000 0.923 307 T CA -0.252 61.941 62.100 0.155 0.000 1.077 307 T CB 0.592 69.538 68.868 0.129 0.000 1.392 307 T HN 0.027 nan 8.240 nan 0.000 0.531 308 Q N 0.258 120.183 119.800 0.209 0.000 2.297 308 Q HA 0.104 4.444 4.340 0.000 0.000 0.204 308 Q C 0.952 177.206 176.000 0.423 0.000 0.962 308 Q CA 1.187 57.120 55.803 0.217 0.000 0.879 308 Q CB 0.071 28.897 28.738 0.146 0.000 0.947 308 Q HN 0.787 nan 8.270 nan 0.000 0.462 309 E N -0.002 120.438 120.200 0.400 0.000 2.714 309 E HA 0.185 4.535 4.350 0.000 0.000 0.219 309 E C -0.129 176.708 176.600 0.396 0.000 0.979 309 E CA -0.166 56.460 56.400 0.375 0.000 1.092 309 E CB 1.134 30.967 29.700 0.222 0.000 1.049 309 E HN -0.015 nan 8.360 nan 0.000 0.487 310 R N 1.560 122.316 120.500 0.428 0.000 2.575 310 R HA 0.570 4.910 4.340 0.000 0.000 0.293 310 R C -1.650 174.686 176.300 0.060 0.000 0.983 310 R CA -0.433 55.805 56.100 0.231 0.000 0.887 310 R CB 1.484 31.808 30.300 0.039 0.000 1.184 310 R HN 0.034 nan 8.270 nan 0.000 0.445 311 I N 2.784 123.218 120.570 -0.226 0.000 2.686 311 I HA 0.408 4.578 4.170 0.000 0.000 0.295 311 I C -1.098 174.698 176.117 -0.535 0.000 1.114 311 I CA -0.484 60.408 61.300 -0.680 0.000 1.038 311 I CB 2.334 39.430 38.000 -1.507 0.000 1.238 311 I HN 0.840 nan 8.210 nan 0.000 0.420 312 S N 7.223 122.598 115.700 -0.542 0.000 2.501 312 S HA 0.793 5.263 4.470 0.000 0.000 0.301 312 S C -1.153 173.122 174.600 -0.542 0.000 1.096 312 S CA -0.684 57.270 58.200 -0.409 0.000 1.063 312 S CB 1.869 64.937 63.200 -0.220 0.000 1.042 312 S HN 0.427 nan 8.310 nan 0.000 0.494 313 L N 2.366 123.288 121.223 -0.502 0.000 2.381 313 L HA 0.489 4.829 4.340 0.000 0.000 0.274 313 L C -0.317 176.236 176.870 -0.527 0.000 0.988 313 L CA -0.126 54.298 54.840 -0.693 0.000 0.824 313 L CB 2.022 43.614 42.059 -0.780 0.000 1.263 313 L HN 0.799 nan 8.230 nan 0.000 0.410 314 Q N 2.429 121.884 119.800 -0.575 0.000 2.293 314 Q HA 0.437 4.777 4.340 0.000 0.000 0.261 314 Q C -1.567 174.159 176.000 -0.457 0.000 0.960 314 Q CA -0.452 55.137 55.803 -0.357 0.000 0.882 314 Q CB 1.898 30.501 28.738 -0.225 0.000 1.275 314 Q HN 0.493 nan 8.270 nan 0.000 0.445 315 W N 2.699 123.959 121.300 -0.066 0.000 2.666 315 W HA 0.585 5.245 4.660 0.000 0.000 0.334 315 W C -0.675 175.884 176.519 0.066 0.000 1.051 315 W CA -0.506 56.845 57.345 0.010 0.000 1.224 315 W CB 1.249 30.691 29.460 -0.031 0.000 1.405 315 W HN 0.312 nan 8.180 nan 0.000 0.513 316 L N 3.650 125.103 121.223 0.384 0.000 2.362 316 L HA 0.542 4.882 4.340 0.000 0.000 0.275 316 L C 0.325 177.390 176.870 0.325 0.000 0.998 316 L CA -1.094 53.935 54.840 0.316 0.000 0.820 316 L CB 1.449 43.686 42.059 0.296 0.000 1.270 316 L HN 0.472 nan 8.230 nan 0.000 0.415 317 R N 1.940 122.592 120.500 0.254 0.000 2.738 317 R HA 0.099 4.440 4.340 0.000 0.000 0.268 317 R C 0.951 177.311 176.300 0.100 0.000 1.062 317 R CA -0.108 56.083 56.100 0.150 0.000 1.158 317 R CB 0.787 31.160 30.300 0.122 0.000 1.046 317 R HN 0.616 nan 8.270 nan 0.000 0.493 318 R N 1.321 121.788 120.500 -0.056 0.000 2.096 318 R HA -0.033 4.307 4.340 0.000 0.000 0.235 318 R C 0.358 176.717 176.300 0.098 0.000 1.127 318 R CA 1.121 57.186 56.100 -0.058 0.000 0.968 318 R CB 0.003 30.210 30.300 -0.155 0.000 0.861 318 R HN 0.472 nan 8.270 nan 0.000 0.440 319 I N 2.381 122.989 120.570 0.063 0.000 2.347 319 I HA -0.000 4.170 4.170 0.000 0.000 0.294 319 I C 0.225 176.405 176.117 0.106 0.000 1.090 319 I CA 0.302 61.644 61.300 0.069 0.000 1.314 319 I CB 1.377 39.404 38.000 0.046 0.000 1.423 319 I HN 0.166 nan 8.210 nan 0.000 0.503 320 Q N 5.172 125.032 119.800 0.101 0.000 2.639 320 Q HA 0.021 4.361 4.340 0.000 0.000 0.301 320 Q C 0.474 176.559 176.000 0.141 0.000 1.029 320 Q CA -0.105 55.774 55.803 0.126 0.000 0.936 320 Q CB -0.284 28.491 28.738 0.062 0.000 1.354 320 Q HN 0.661 nan 8.270 nan 0.000 0.417 321 N N -0.780 118.002 118.700 0.138 0.000 2.187 321 N HA -0.026 4.714 4.740 0.000 0.000 0.212 321 N C -0.983 174.626 175.510 0.166 0.000 1.152 321 N CA -0.156 52.964 53.050 0.116 0.000 0.872 321 N CB 0.367 38.898 38.487 0.075 0.000 1.025 321 N HN 0.200 nan 8.380 nan 0.000 0.514 322 Y N 1.039 121.367 120.300 0.047 0.000 2.396 322 Y HA 0.541 5.091 4.550 0.000 0.000 0.332 322 Y C -1.191 174.747 175.900 0.063 0.000 1.034 322 Y CA -0.840 57.286 58.100 0.043 0.000 1.057 322 Y CB 1.686 40.164 38.460 0.029 0.000 1.220 322 Y HN 0.150 nan 8.280 nan 0.000 0.440 323 S N 4.096 119.713 115.700 -0.138 0.000 2.549 323 S HA 0.863 5.333 4.470 0.000 0.000 0.280 323 S C -1.988 172.549 174.600 -0.105 0.000 1.109 323 S CA -0.782 57.415 58.200 -0.005 0.000 0.905 323 S CB 1.752 64.959 63.200 0.011 0.000 1.081 323 S HN 0.429 nan 8.310 nan 0.000 0.477 324 V N 3.728 123.676 119.914 0.058 0.000 2.495 324 V HA 0.514 4.634 4.120 0.000 0.000 0.298 324 V C -0.186 175.944 176.094 0.061 0.000 1.031 324 V CA -0.679 61.648 62.300 0.045 0.000 0.871 324 V CB 1.742 33.630 31.823 0.109 0.000 0.988 324 V HN 1.031 nan 8.190 nan 0.000 0.432 325 M N 3.746 123.340 119.600 -0.009 0.000 2.264 325 M HA 0.496 4.976 4.480 0.000 0.000 0.352 325 M C -1.281 175.013 176.300 -0.011 0.000 1.173 325 M CA -0.195 55.074 55.300 -0.052 0.000 1.075 325 M CB 1.186 33.703 32.600 -0.138 0.000 1.621 325 M HN 0.646 nan 8.290 nan 0.000 0.457 326 D N 4.602 124.986 120.400 -0.027 0.000 2.502 326 D HA 0.483 5.124 4.640 0.000 0.000 0.249 326 D C -1.370 174.882 176.300 -0.081 0.000 1.092 326 D CA -0.266 53.721 54.000 -0.021 0.000 0.839 326 D CB 1.428 42.253 40.800 0.041 0.000 1.264 326 D HN 0.466 nan 8.370 nan 0.000 0.511 327 I N 2.580 123.125 120.570 -0.042 0.000 2.359 327 I HA 0.339 4.509 4.170 0.000 0.000 0.294 327 I C -0.421 175.680 176.117 -0.027 0.000 0.987 327 I CA -0.308 60.962 61.300 -0.050 0.000 1.225 327 I CB 1.312 39.331 38.000 0.031 0.000 1.366 327 I HN 0.327 nan 8.210 nan 0.000 0.466 328 c N 4.249 122.831 118.600 -0.031 0.000 2.381 328 c HA 0.468 5.038 4.570 0.000 0.000 0.328 328 c C -0.717 173.523 174.090 0.250 0.000 1.190 328 c CA -1.021 55.362 56.329 0.091 0.000 1.369 328 c CB 0.525 43.084 42.510 0.082 0.000 2.029 328 c HN 0.610 nan 8.230 nan 0.000 0.448 329 D N 1.001 121.505 120.400 0.173 0.000 2.225 329 D HA 0.231 4.871 4.640 0.000 0.000 0.249 329 D C -0.407 175.813 176.300 -0.133 0.000 1.052 329 D CA -0.148 53.910 54.000 0.096 0.000 0.909 329 D CB 0.822 41.634 40.800 0.020 0.000 1.186 329 D HN 0.597 nan 8.370 nan 0.000 0.431 330 Y N 1.261 121.134 120.300 -0.712 0.000 2.377 330 Y HA 0.070 4.620 4.550 0.000 0.000 0.330 330 Y C 0.190 175.757 175.900 -0.554 0.000 1.108 330 Y CA 0.096 57.433 58.100 -1.272 0.000 1.308 330 Y CB 0.666 38.280 38.460 -1.411 0.000 1.216 330 Y HN 0.180 nan 8.280 nan 0.000 0.518 331 D N 5.807 125.619 120.400 -0.980 0.000 2.428 331 D HA 0.039 4.679 4.640 0.000 0.000 0.221 331 D C 0.661 176.487 176.300 -0.791 0.000 1.123 331 D CA 0.048 53.666 54.000 -0.638 0.000 0.869 331 D CB 0.855 41.406 40.800 -0.414 0.000 1.032 331 D HN 0.914 nan 8.370 nan 0.000 0.506 332 E N 1.429 121.364 120.200 -0.441 0.000 2.209 332 E HA -0.200 4.150 4.350 0.000 0.000 0.196 332 E C 1.681 178.194 176.600 -0.145 0.000 0.993 332 E CA 1.292 57.580 56.400 -0.186 0.000 0.819 332 E CB 0.392 30.112 29.700 0.033 0.000 0.745 332 E HN 0.461 nan 8.360 nan 0.000 0.477 333 S N -1.298 114.304 115.700 -0.163 0.000 2.439 333 S HA 0.025 4.495 4.470 0.000 0.000 0.224 333 S C 2.007 176.539 174.600 -0.114 0.000 1.029 333 S CA 0.650 58.790 58.200 -0.100 0.000 0.946 333 S CB 0.310 63.466 63.200 -0.074 0.000 0.797 333 S HN 0.091 nan 8.310 nan 0.000 0.504 334 S N 1.174 116.763 115.700 -0.185 0.000 2.356 334 S HA 0.442 4.912 4.470 0.000 0.000 0.219 334 S C 1.819 176.333 174.600 -0.144 0.000 1.036 334 S CA 0.703 58.811 58.200 -0.153 0.000 0.965 334 S CB -0.741 62.355 63.200 -0.174 0.000 0.864 334 S HN 1.148 nan 8.310 nan 0.000 0.471 335 G N 1.078 109.705 108.800 -0.289 0.000 2.195 335 G HA2 -0.189 3.771 3.960 0.000 0.000 0.224 335 G HA3 -0.189 3.771 3.960 0.000 0.000 0.224 335 G C 0.243 175.034 174.900 -0.181 0.000 0.990 335 G CA -0.202 44.803 45.100 -0.159 0.000 0.639 335 G HN 0.332 nan 8.290 nan 0.000 0.514 336 R N -1.175 119.144 120.500 -0.300 0.000 2.531 336 R HA 0.562 4.902 4.340 0.000 0.000 0.260 336 R C -0.807 175.276 176.300 -0.362 0.000 1.144 336 R CA -0.391 55.616 56.100 -0.155 0.000 1.171 336 R CB 0.479 30.729 30.300 -0.083 0.000 1.199 336 R HN 0.165 nan 8.270 nan 0.000 0.594 337 W N 0.619 121.886 121.300 -0.055 0.000 2.499 337 W HA 0.347 5.007 4.660 0.000 0.000 0.320 337 W C -0.703 175.781 176.519 -0.058 0.000 1.010 337 W CA -0.433 56.885 57.345 -0.045 0.000 1.267 337 W CB 0.991 30.441 29.460 -0.017 0.000 1.316 337 W HN 0.436 nan 8.180 nan 0.000 0.431 338 N N 2.405 121.153 118.700 0.080 0.000 2.421 338 N HA 0.557 5.297 4.740 0.000 0.000 0.285 338 N C -1.263 174.277 175.510 0.050 0.000 1.027 338 N CA -0.583 52.488 53.050 0.035 0.000 0.918 338 N CB 1.083 39.553 38.487 -0.028 0.000 1.152 338 N HN 0.156 nan 8.380 nan 0.000 0.485 339 c N 3.097 121.713 118.600 0.027 0.000 2.291 339 c HA 0.340 4.910 4.570 0.000 0.000 0.322 339 c C 0.084 174.165 174.090 -0.015 0.000 1.205 339 c CA -1.192 55.142 56.329 0.009 0.000 1.495 339 c CB -0.719 41.790 42.510 -0.002 0.000 2.127 339 c HN 0.572 nan 8.230 nan 0.000 0.452 340 L N 3.169 124.383 121.223 -0.014 0.000 2.485 340 L HA 0.050 4.390 4.340 0.000 0.000 0.275 340 L C 1.423 178.268 176.870 -0.040 0.000 1.207 340 L CA 0.687 55.512 54.840 -0.025 0.000 0.855 340 L CB 0.731 42.779 42.059 -0.018 0.000 1.114 340 L HN 0.649 nan 8.230 nan 0.000 0.485 341 V N 3.484 123.370 119.914 -0.046 0.000 2.809 341 V HA -0.182 3.938 4.120 0.000 0.000 0.256 341 V C 2.200 178.252 176.094 -0.069 0.000 1.080 341 V CA 1.453 63.719 62.300 -0.056 0.000 1.102 341 V CB -0.683 31.110 31.823 -0.051 0.000 0.705 341 V HN 0.959 nan 8.190 nan 0.000 0.475 342 A N 0.203 122.985 122.820 -0.064 0.000 1.929 342 A HA -0.096 4.224 4.320 0.000 0.000 0.216 342 A C 2.320 179.828 177.584 -0.127 0.000 1.176 342 A CA 0.906 52.896 52.037 -0.079 0.000 0.628 342 A CB -0.377 18.594 19.000 -0.049 0.000 0.816 342 A HN 0.452 nan 8.150 nan 0.000 0.444 343 R N 0.168 120.611 120.500 -0.095 0.000 2.316 343 R HA 0.003 4.343 4.340 0.000 0.000 0.202 343 R C 0.088 176.265 176.300 -0.205 0.000 1.029 343 R CA 0.221 56.266 56.100 -0.093 0.000 1.018 343 R CB -0.120 30.182 30.300 0.004 0.000 0.888 343 R HN 0.659 nan 8.270 nan 0.000 0.471 344 Q N 0.452 120.120 119.800 -0.221 0.000 2.352 344 Q HA 0.068 4.408 4.340 0.000 0.000 0.260 344 Q C -0.851 174.905 176.000 -0.407 0.000 0.976 344 Q CA 0.529 56.211 55.803 -0.202 0.000 0.881 344 Q CB 0.834 29.507 28.738 -0.108 0.000 1.235 344 Q HN 0.231 nan 8.270 nan 0.000 0.419 345 H N 1.092 120.116 119.070 -0.076 0.000 2.658 345 H HA 0.371 4.927 4.556 0.000 0.000 0.337 345 H C -0.747 174.503 175.328 -0.130 0.000 1.009 345 H CA -0.452 55.529 56.048 -0.112 0.000 1.231 345 H CB 0.951 30.555 29.762 -0.262 0.000 1.508 345 H HN 0.448 nan 8.280 nan 0.000 0.517 346 I N 2.361 122.919 120.570 -0.020 0.000 2.441 346 I HA 0.129 4.299 4.170 0.000 0.000 0.287 346 I C 0.264 176.297 176.117 -0.140 0.000 1.049 346 I CA 0.186 61.390 61.300 -0.159 0.000 1.381 346 I CB 0.845 38.732 38.000 -0.189 0.000 1.409 346 I HN 0.580 nan 8.210 nan 0.000 0.523 347 E N 8.281 128.347 120.200 -0.224 0.000 2.216 347 E HA 0.532 4.882 4.350 0.000 0.000 0.260 347 E C -1.112 175.361 176.600 -0.212 0.000 0.880 347 E CA -0.707 55.611 56.400 -0.137 0.000 0.765 347 E CB 1.362 31.024 29.700 -0.062 0.000 1.174 347 E HN 0.622 nan 8.360 nan 0.000 0.417 348 M N 1.411 120.921 119.600 -0.150 0.000 2.719 348 M HA 0.682 5.162 4.480 0.000 0.000 0.291 348 M C -1.003 175.274 176.300 -0.038 0.000 1.264 348 M CA -0.879 54.357 55.300 -0.107 0.000 0.811 348 M CB 2.317 34.865 32.600 -0.086 0.000 1.756 348 M HN 0.220 nan 8.290 nan 0.000 0.464 349 S N -0.689 114.999 115.700 -0.021 0.000 2.572 349 S HA 0.492 4.962 4.470 0.000 0.000 0.274 349 S C 0.073 174.644 174.600 -0.047 0.000 1.150 349 S CA 0.027 58.196 58.200 -0.051 0.000 0.944 349 S CB 1.708 64.840 63.200 -0.114 0.000 1.071 349 S HN 0.968 nan 8.310 nan 0.000 0.479 350 T N 0.114 114.640 114.554 -0.046 0.000 3.037 350 T HA 0.074 4.424 4.350 0.000 0.000 0.251 350 T C 1.491 176.150 174.700 -0.067 0.000 1.079 350 T CA 1.022 63.101 62.100 -0.036 0.000 1.067 350 T CB -0.418 68.442 68.868 -0.014 0.000 0.948 350 T HN 0.700 nan 8.240 nan 0.000 0.496 351 T N -2.004 112.483 114.554 -0.111 0.000 3.015 351 T HA 0.594 4.944 4.350 0.000 0.000 0.250 351 T C 1.167 175.656 174.700 -0.352 0.000 1.057 351 T CA 0.349 62.373 62.100 -0.127 0.000 1.066 351 T CB 0.353 69.213 68.868 -0.014 0.000 0.959 351 T HN 0.603 nan 8.240 nan 0.000 0.488 352 G N 0.298 108.691 108.800 -0.679 0.000 2.726 352 G HA2 0.495 4.455 3.960 0.000 0.000 0.198 352 G HA3 0.495 4.455 3.960 0.000 0.000 0.198 352 G C -1.494 173.119 174.900 -0.477 0.000 1.195 352 G CA -0.589 43.931 45.100 -0.966 0.000 0.951 352 G HN 0.479 nan 8.290 nan 0.000 0.532 353 W N -0.566 120.475 121.300 -0.432 0.000 2.181 353 W HA 0.766 5.426 4.660 0.000 0.000 0.415 353 W C -0.289 176.192 176.519 -0.063 0.000 1.689 353 W CA -1.262 55.982 57.345 -0.168 0.000 1.859 353 W CB 0.637 30.009 29.460 -0.148 0.000 1.425 353 W HN 0.411 nan 8.180 nan 0.000 0.713 354 V N 2.675 122.700 119.914 0.184 0.000 2.370 354 V HA 0.738 4.858 4.120 0.000 0.000 0.283 354 V C 0.357 176.544 176.094 0.154 0.000 1.023 354 V CA 0.446 62.793 62.300 0.078 0.000 0.857 354 V CB 0.250 32.107 31.823 0.056 0.000 0.985 354 V HN 1.587 nan 8.190 nan 0.000 0.443 355 G N 6.418 115.252 108.800 0.058 0.000 2.757 355 G HA2 -0.192 3.768 3.960 0.000 0.000 0.638 355 G HA3 -0.192 3.768 3.960 0.000 0.000 0.638 355 G C 0.265 175.240 174.900 0.126 0.000 1.344 355 G CA 0.211 45.367 45.100 0.093 0.000 0.855 355 G HN 0.836 nan 8.290 nan 0.000 0.537 356 R N -0.938 119.620 120.500 0.097 0.000 2.062 356 R HA 0.160 4.500 4.340 0.000 0.000 0.229 356 R C 1.979 178.188 176.300 -0.151 0.000 1.128 356 R CA 2.243 58.321 56.100 -0.037 0.000 0.960 356 R CB -0.083 30.189 30.300 -0.047 0.000 0.855 356 R HN 0.486 nan 8.270 nan 0.000 0.432 357 F N -1.150 118.965 119.950 0.274 0.000 2.570 357 F HA 0.225 4.752 4.527 0.000 0.000 0.290 357 F C 0.451 176.309 175.800 0.096 0.000 0.910 357 F CA -0.542 57.571 58.000 0.188 0.000 1.119 357 F CB 0.519 39.618 39.000 0.165 0.000 0.922 357 F HN -0.170 nan 8.300 nan 0.000 0.703 358 R N 0.002 120.670 120.500 0.281 0.000 2.836 358 R HA 0.605 4.945 4.340 0.000 0.000 0.269 358 R C -3.172 173.206 176.300 0.130 0.000 1.010 358 R CA -2.115 54.069 56.100 0.139 0.000 0.930 358 R CB 0.376 30.707 30.300 0.053 0.000 1.218 358 R HN -0.313 nan 8.270 nan 0.000 0.473 359 P HA -0.074 nan 4.420 nan 0.000 0.265 359 P C -0.394 176.945 177.300 0.065 0.000 1.187 359 P CA 0.165 63.300 63.100 0.059 0.000 0.766 359 P CB 0.715 32.424 31.700 0.016 0.000 0.820 360 S N 1.767 117.513 115.700 0.076 0.000 2.579 360 S HA 0.088 4.558 4.470 0.000 0.000 0.275 360 S C 0.193 174.832 174.600 0.065 0.000 1.345 360 S CA -0.659 57.603 58.200 0.103 0.000 1.031 360 S CB 0.019 63.295 63.200 0.127 0.000 0.892 360 S HN 0.440 nan 8.310 nan 0.000 0.529 361 E N 4.103 124.356 120.200 0.088 0.000 2.349 361 E HA 0.409 4.759 4.350 0.000 0.000 0.265 361 E C -2.774 173.831 176.600 0.009 0.000 1.064 361 E CA -2.014 54.393 56.400 0.011 0.000 0.886 361 E CB 0.297 30.000 29.700 0.006 0.000 1.036 361 E HN 0.323 nan 8.360 nan 0.000 0.413 362 P HA 0.295 nan 4.420 nan 0.000 0.282 362 P C -0.796 176.381 177.300 -0.206 0.000 1.259 362 P CA -0.438 62.561 63.100 -0.168 0.000 0.826 362 P CB 0.861 32.153 31.700 -0.679 0.000 1.064 363 H N 1.264 120.351 119.070 0.029 0.000 2.887 363 H HA 0.300 4.856 4.556 0.000 0.000 0.300 363 H C -0.480 174.965 175.328 0.196 0.000 1.038 363 H CA -0.276 55.880 56.048 0.179 0.000 1.352 363 H CB 0.252 30.158 29.762 0.239 0.000 1.473 363 H HN 0.296 nan 8.280 nan 0.000 0.503 364 F N 1.579 121.711 119.950 0.304 0.000 2.389 364 F HA 0.098 4.625 4.527 0.000 0.000 0.337 364 F C 1.445 177.419 175.800 0.290 0.000 1.112 364 F CA -0.175 57.998 58.000 0.288 0.000 1.192 364 F CB 0.940 40.051 39.000 0.185 0.000 1.185 364 F HN 0.277 nan 8.300 nan 0.000 0.552 365 T N 3.014 117.840 114.554 0.454 0.000 2.813 365 T HA 0.048 4.398 4.350 0.000 0.000 0.297 365 T C 1.262 176.143 174.700 0.301 0.000 1.036 365 T CA -0.715 61.596 62.100 0.352 0.000 1.044 365 T CB 0.746 69.794 68.868 0.300 0.000 0.993 365 T HN 0.494 nan 8.240 nan 0.000 0.535 366 L N 1.622 122.981 121.223 0.227 0.000 2.043 366 L HA -0.164 4.176 4.340 0.000 0.000 0.212 366 L C 2.357 179.327 176.870 0.168 0.000 1.075 366 L CA 2.044 56.993 54.840 0.180 0.000 0.752 366 L CB -0.771 41.371 42.059 0.139 0.000 0.891 366 L HN 0.870 nan 8.230 nan 0.000 0.432 367 D N -1.608 118.892 120.400 0.168 0.000 2.219 367 D HA -0.046 4.594 4.640 0.000 0.000 0.205 367 D C 1.768 178.165 176.300 0.161 0.000 0.970 367 D CA 1.139 55.227 54.000 0.147 0.000 0.851 367 D CB -0.489 40.390 40.800 0.132 0.000 0.943 367 D HN 0.406 nan 8.370 nan 0.000 0.488 368 G N 0.482 109.416 108.800 0.223 0.000 2.176 368 G HA2 -0.329 3.631 3.960 0.000 0.000 0.253 368 G HA3 -0.329 3.631 3.960 0.000 0.000 0.253 368 G C 0.877 175.958 174.900 0.301 0.000 0.979 368 G CA 0.375 45.619 45.100 0.239 0.000 0.641 368 G HN 0.391 nan 8.290 nan 0.000 0.530 369 N N 0.525 119.371 118.700 0.242 0.000 2.461 369 N HA 0.321 5.061 4.740 0.000 0.000 0.188 369 N C 0.515 176.138 175.510 0.189 0.000 1.134 369 N CA 1.101 54.272 53.050 0.202 0.000 0.878 369 N CB 0.422 38.989 38.487 0.133 0.000 0.972 369 N HN 0.420 nan 8.380 nan 0.000 0.456 370 S N -0.564 115.274 115.700 0.231 0.000 2.588 370 S HA 0.732 5.202 4.470 0.000 0.000 0.275 370 S C -1.311 173.320 174.600 0.050 0.000 1.130 370 S CA -0.882 57.311 58.200 -0.011 0.000 0.855 370 S CB 1.591 64.740 63.200 -0.084 0.000 1.116 370 S HN 0.233 nan 8.310 nan 0.000 0.472 371 F N -0.676 118.992 119.950 -0.469 0.000 2.693 371 F HA 0.757 5.284 4.527 0.000 0.000 0.309 371 F C -2.155 173.336 175.800 -0.514 0.000 1.129 371 F CA -1.321 56.339 58.000 -0.567 0.000 0.948 371 F CB 0.621 38.904 39.000 -1.195 0.000 1.315 371 F HN 0.488 nan 8.300 nan 0.000 0.447 372 Y N 1.210 121.568 120.300 0.097 0.000 2.446 372 Y HA 0.704 5.254 4.550 0.000 0.000 0.338 372 Y C -0.276 175.755 175.900 0.219 0.000 1.055 372 Y CA -0.910 57.250 58.100 0.100 0.000 1.101 372 Y CB 2.186 40.711 38.460 0.108 0.000 1.221 372 Y HN 0.744 nan 8.280 nan 0.000 0.460 373 K N 2.912 123.511 120.400 0.331 0.000 2.571 373 K HA 0.450 4.770 4.320 0.000 0.000 0.252 373 K C -1.770 174.963 176.600 0.222 0.000 0.956 373 K CA -0.475 55.990 56.287 0.297 0.000 0.822 373 K CB 1.247 33.935 32.500 0.314 0.000 1.286 373 K HN 0.733 nan 8.250 nan 0.000 0.439 374 I N 6.830 127.510 120.570 0.183 0.000 2.505 374 I HA 0.152 4.322 4.170 0.000 0.000 0.287 374 I C 0.248 176.446 176.117 0.136 0.000 1.104 374 I CA 0.064 61.444 61.300 0.133 0.000 1.387 374 I CB -0.089 37.971 38.000 0.100 0.000 1.404 374 I HN 0.470 nan 8.210 nan 0.000 0.528 375 I N 2.148 122.818 120.570 0.167 0.000 2.969 375 I HA 0.480 4.650 4.170 0.000 0.000 0.307 375 I C -0.175 176.028 176.117 0.143 0.000 1.149 375 I CA -0.821 60.577 61.300 0.163 0.000 1.008 375 I CB 2.122 40.252 38.000 0.216 0.000 1.232 375 I HN 0.314 nan 8.210 nan 0.000 0.435 376 S N 3.014 118.744 115.700 0.050 0.000 2.510 376 S HA 0.194 4.664 4.470 0.000 0.000 0.279 376 S C 0.061 174.658 174.600 -0.006 0.000 1.284 376 S CA -0.446 57.728 58.200 -0.044 0.000 1.059 376 S CB -0.379 62.758 63.200 -0.104 0.000 0.901 376 S HN 0.836 nan 8.310 nan 0.000 0.491 377 N N 3.572 122.164 118.700 -0.180 0.000 2.322 377 N HA 0.067 4.807 4.740 0.000 0.000 0.270 377 N C 1.179 176.586 175.510 -0.171 0.000 1.286 377 N CA -0.177 52.646 53.050 -0.378 0.000 0.948 377 N CB 0.048 37.938 38.487 -0.995 0.000 1.164 377 N HN 0.681 nan 8.380 nan 0.000 0.551 378 E N -0.934 119.174 120.200 -0.152 0.000 2.396 378 E HA -0.260 4.090 4.350 0.000 0.000 0.200 378 E C -0.503 176.049 176.600 -0.080 0.000 1.023 378 E CA 1.304 57.663 56.400 -0.067 0.000 0.857 378 E CB -0.534 29.142 29.700 -0.040 0.000 0.775 378 E HN 0.914 nan 8.360 nan 0.000 0.525 379 E N -1.036 119.101 120.200 -0.104 0.000 4.017 379 E HA 0.408 4.758 4.350 0.000 0.000 0.205 379 E C 0.623 177.138 176.600 -0.141 0.000 1.054 379 E CA -0.139 56.213 56.400 -0.080 0.000 1.398 379 E CB 0.431 30.116 29.700 -0.026 0.000 1.164 379 E HN 0.130 nan 8.360 nan 0.000 0.445 380 G N 0.712 109.384 108.800 -0.215 0.000 2.245 380 G HA2 -0.359 3.601 3.960 0.000 0.000 0.264 380 G HA3 -0.359 3.601 3.960 0.000 0.000 0.264 380 G C -0.196 174.407 174.900 -0.495 0.000 0.985 380 G CA 0.503 45.377 45.100 -0.377 0.000 0.625 380 G HN 0.435 nan 8.290 nan 0.000 0.536 381 Y N 0.900 121.053 120.300 -0.245 0.000 2.299 381 Y HA 0.606 5.156 4.550 0.000 0.000 0.326 381 Y C 1.314 177.013 175.900 -0.337 0.000 1.164 381 Y CA -0.609 57.319 58.100 -0.287 0.000 1.234 381 Y CB 0.829 39.136 38.460 -0.254 0.000 1.219 381 Y HN 0.047 nan 8.280 nan 0.000 0.497 382 R N 3.727 124.052 120.500 -0.291 0.000 2.207 382 R HA 0.349 4.689 4.340 0.000 0.000 0.334 382 R C -0.956 175.002 176.300 -0.569 0.000 1.013 382 R CA -0.406 55.513 56.100 -0.302 0.000 0.858 382 R CB 0.408 30.592 30.300 -0.195 0.000 1.094 382 R HN 0.677 nan 8.270 nan 0.000 0.457 383 H N 1.775 120.758 119.070 -0.145 0.000 2.985 383 H HA 0.324 4.880 4.556 0.000 0.000 0.360 383 H C -0.135 175.205 175.328 0.019 0.000 1.221 383 H CA -0.924 55.017 56.048 -0.179 0.000 1.121 383 H CB 1.791 31.347 29.762 -0.343 0.000 1.854 383 H HN 0.335 nan 8.280 nan 0.000 0.551 384 I N 1.413 122.028 120.570 0.075 0.000 2.452 384 I HA -0.002 4.168 4.170 0.000 0.000 0.287 384 I C 0.477 176.643 176.117 0.081 0.000 1.079 384 I CA 0.243 61.578 61.300 0.057 0.000 1.387 384 I CB 0.215 38.176 38.000 -0.066 0.000 1.404 384 I HN 0.159 nan 8.210 nan 0.000 0.522 385 c N 6.984 125.584 118.600 0.001 0.000 2.355 385 c HA 0.334 4.904 4.570 0.000 0.000 0.332 385 c C -0.184 173.740 174.090 -0.276 0.000 1.255 385 c CA -0.602 55.516 56.329 -0.351 0.000 1.792 385 c CB 0.676 42.745 42.510 -0.735 0.000 2.300 385 c HN 0.688 nan 8.230 nan 0.000 0.515 386 Y N 4.666 124.648 120.300 -0.530 0.000 2.454 386 Y HA 0.546 5.096 4.550 0.000 0.000 0.345 386 Y C -0.818 174.627 175.900 -0.759 0.000 0.970 386 Y CA -0.379 57.376 58.100 -0.576 0.000 1.204 386 Y CB 0.060 38.295 38.460 -0.375 0.000 1.122 386 Y HN 0.642 nan 8.280 nan 0.000 0.514 387 F N 4.747 123.911 119.950 -1.310 0.000 2.404 387 F HA 0.305 4.833 4.527 0.000 0.000 0.339 387 F C 0.196 175.198 175.800 -1.331 0.000 1.105 387 F CA -0.337 56.847 58.000 -1.359 0.000 1.087 387 F CB 1.243 39.064 39.000 -1.964 0.000 1.143 387 F HN 0.408 nan 8.300 nan 0.000 0.491 388 Q N 4.300 123.740 119.800 -0.600 0.000 2.278 388 Q HA 0.240 4.580 4.340 0.000 0.000 0.257 388 Q C 1.051 177.027 176.000 -0.040 0.000 0.928 388 Q CA -0.358 55.239 55.803 -0.343 0.000 0.932 388 Q CB 1.397 30.013 28.738 -0.203 0.000 1.221 388 Q HN 0.669 nan 8.270 nan 0.000 0.434 389 I N 3.253 123.863 120.570 0.067 0.000 2.145 389 I HA -0.338 3.832 4.170 0.000 0.000 0.244 389 I C 1.185 177.446 176.117 0.240 0.000 1.075 389 I CA 1.546 63.019 61.300 0.289 0.000 1.332 389 I CB -0.642 37.516 38.000 0.264 0.000 1.033 389 I HN 0.639 nan 8.210 nan 0.000 0.410 390 D N 1.124 121.596 120.400 0.120 0.000 2.081 390 D HA -0.112 4.528 4.640 0.000 0.000 0.194 390 D C 1.147 177.473 176.300 0.044 0.000 0.986 390 D CA 1.207 55.244 54.000 0.061 0.000 0.837 390 D CB -0.285 40.537 40.800 0.037 0.000 0.985 390 D HN 0.470 nan 8.370 nan 0.000 0.448 391 K N 0.822 121.258 120.400 0.060 0.000 2.154 391 K HA 0.248 4.568 4.320 0.000 0.000 0.264 391 K C 0.414 177.093 176.600 0.131 0.000 1.008 391 K CA -0.570 55.746 56.287 0.048 0.000 0.937 391 K CB 1.094 33.605 32.500 0.019 0.000 1.002 391 K HN -0.228 nan 8.250 nan 0.000 0.469 392 K N 0.962 121.411 120.400 0.081 0.000 2.487 392 K HA 0.059 4.379 4.320 0.000 0.000 0.192 392 K C -0.447 176.283 176.600 0.217 0.000 1.027 392 K CA 0.421 56.809 56.287 0.167 0.000 1.054 392 K CB -0.131 32.398 32.500 0.049 0.000 0.824 392 K HN 0.561 nan 8.250 nan 0.000 0.510 393 D N 1.318 121.760 120.400 0.069 0.000 2.177 393 D HA 0.135 4.775 4.640 0.000 0.000 0.247 393 D C -0.093 176.028 176.300 -0.299 0.000 1.063 393 D CA -0.391 53.559 54.000 -0.084 0.000 0.867 393 D CB 1.519 42.269 40.800 -0.084 0.000 1.168 393 D HN 0.185 nan 8.370 nan 0.000 0.445 394 c N 0.468 118.702 118.600 -0.609 0.000 2.614 394 c HA 0.911 5.481 4.570 0.000 0.000 0.320 394 c C 0.072 173.740 174.090 -0.703 0.000 1.200 394 c CA -0.780 54.979 56.329 -0.951 0.000 1.700 394 c CB 1.041 42.340 42.510 -2.017 0.000 2.275 394 c HN 0.622 nan 8.230 nan 0.000 0.492 395 T N -0.331 113.893 114.554 -0.550 0.000 2.807 395 T HA 0.639 4.989 4.350 0.000 0.000 0.279 395 T C -0.718 173.721 174.700 -0.434 0.000 0.993 395 T CA -0.278 61.589 62.100 -0.388 0.000 0.970 395 T CB 0.672 69.453 68.868 -0.145 0.000 0.950 395 T HN 0.540 nan 8.240 nan 0.000 0.441 396 F N 2.507 122.324 119.950 -0.222 0.000 2.484 396 F HA 0.278 4.805 4.527 0.000 0.000 0.360 396 F C 1.752 177.374 175.800 -0.297 0.000 1.101 396 F CA -1.116 56.737 58.000 -0.246 0.000 1.251 396 F CB 0.419 39.272 39.000 -0.244 0.000 1.132 396 F HN 0.665 nan 8.300 nan 0.000 0.570 397 I N -0.889 119.562 120.570 -0.199 0.000 3.883 397 I HA 0.207 4.377 4.170 0.000 0.000 0.326 397 I C 0.034 176.004 176.117 -0.245 0.000 1.283 397 I CA 0.091 61.131 61.300 -0.434 0.000 1.161 397 I CB -0.350 37.189 38.000 -0.768 0.000 1.012 397 I HN 0.490 nan 8.210 nan 0.000 0.421 398 T N -0.838 113.580 114.554 -0.226 0.000 2.933 398 T HA 0.628 4.978 4.350 0.000 0.000 0.305 398 T C -0.683 173.499 174.700 -0.864 0.000 1.092 398 T CA -0.855 61.020 62.100 -0.375 0.000 1.008 398 T CB 2.466 71.169 68.868 -0.276 0.000 1.102 398 T HN 0.235 nan 8.240 nan 0.000 0.469 399 K N 0.781 120.650 120.400 -0.885 0.000 2.378 399 K HA 0.945 5.265 4.320 0.000 0.000 0.244 399 K C -0.072 175.913 176.600 -1.025 0.000 1.039 399 K CA -1.176 54.490 56.287 -1.035 0.000 0.863 399 K CB 2.013 34.216 32.500 -0.494 0.000 1.326 399 K HN 1.259 nan 8.250 nan 0.000 0.460 400 G N -0.228 108.105 108.800 -0.779 0.000 2.392 400 G HA2 -0.081 3.879 3.960 0.000 0.000 0.677 400 G HA3 -0.081 3.879 3.960 0.000 0.000 0.677 400 G C -0.447 173.957 174.900 -0.828 0.000 1.334 400 G CA -0.503 44.242 45.100 -0.592 0.000 0.961 400 G HN 0.643 nan 8.290 nan 0.000 0.616 401 T N -0.618 113.580 114.554 -0.594 0.000 3.843 401 T HA 0.538 4.888 4.350 0.000 0.000 0.227 401 T C 0.344 174.814 174.700 -0.384 0.000 1.043 401 T CA 0.699 62.221 62.100 -0.963 0.000 1.012 401 T CB -0.897 67.707 68.868 -0.440 0.000 1.279 401 T HN 1.505 nan 8.240 nan 0.000 0.730 402 W N -0.533 120.519 121.300 -0.413 0.000 2.923 402 W HA 0.699 5.359 4.660 0.000 0.000 0.373 402 W C -1.400 175.055 176.519 -0.106 0.000 1.205 402 W CA -1.069 56.210 57.345 -0.110 0.000 1.180 402 W CB 0.735 30.143 29.460 -0.085 0.000 1.477 402 W HN 0.118 nan 8.180 nan 0.000 0.581 403 E N 0.852 121.169 120.200 0.194 0.000 2.293 403 E HA 0.420 4.770 4.350 0.000 0.000 0.270 403 E C -1.123 175.530 176.600 0.089 0.000 0.879 403 E CA -1.093 55.239 56.400 -0.114 0.000 0.756 403 E CB 3.419 33.122 29.700 0.005 0.000 1.208 403 E HN 0.160 nan 8.360 nan 0.000 0.428 404 V N 4.638 124.474 119.914 -0.131 0.000 2.508 404 V HA 0.003 4.123 4.120 0.000 0.000 0.281 404 V C 1.267 177.426 176.094 0.108 0.000 1.041 404 V CA -0.006 62.320 62.300 0.043 0.000 1.016 404 V CB 0.501 32.222 31.823 -0.170 0.000 0.984 404 V HN 0.700 nan 8.190 nan 0.000 0.478 405 I N 3.407 124.090 120.570 0.190 0.000 2.206 405 I HA 0.196 4.366 4.170 0.000 0.000 0.239 405 I C 1.174 177.410 176.117 0.199 0.000 1.078 405 I CA 1.323 62.739 61.300 0.195 0.000 1.367 405 I CB -0.930 37.145 38.000 0.124 0.000 1.078 405 I HN 0.721 nan 8.210 nan 0.000 0.413 406 G N 0.643 109.562 108.800 0.199 0.000 2.718 406 G HA2 0.609 4.569 3.960 0.000 0.000 0.295 406 G HA3 0.609 4.569 3.960 0.000 0.000 0.295 406 G C -1.103 173.899 174.900 0.170 0.000 1.421 406 G CA -0.507 44.708 45.100 0.192 0.000 0.902 406 G HN 0.016 nan 8.290 nan 0.000 0.501 407 I N 1.946 122.563 120.570 0.078 0.000 2.337 407 I HA 0.183 4.353 4.170 0.000 0.000 0.291 407 I C 0.759 176.788 176.117 -0.147 0.000 1.046 407 I CA -0.432 60.811 61.300 -0.095 0.000 1.324 407 I CB 1.455 39.234 38.000 -0.369 0.000 1.409 407 I HN 0.477 nan 8.210 nan 0.000 0.494 408 E N 5.130 125.345 120.200 0.025 0.000 2.276 408 E HA 0.299 4.649 4.350 0.000 0.000 0.193 408 E C 0.329 176.938 176.600 0.014 0.000 0.983 408 E CA 0.229 56.704 56.400 0.126 0.000 0.861 408 E CB 0.661 30.536 29.700 0.292 0.000 0.817 408 E HN 0.707 nan 8.360 nan 0.000 0.485 409 A N 0.634 123.377 122.820 -0.128 0.000 2.597 409 A HA 0.619 4.939 4.320 0.000 0.000 0.292 409 A C -1.641 175.886 177.584 -0.096 0.000 1.057 409 A CA -0.842 51.054 52.037 -0.235 0.000 0.674 409 A CB 0.878 19.353 19.000 -0.875 0.000 1.278 409 A HN 0.125 nan 8.150 nan 0.000 0.416 410 L N -0.367 120.843 121.223 -0.022 0.000 2.422 410 L HA 0.999 5.340 4.340 0.000 0.000 0.264 410 L C -0.283 176.628 176.870 0.068 0.000 0.984 410 L CA -0.301 54.556 54.840 0.028 0.000 0.819 410 L CB 2.332 44.438 42.059 0.078 0.000 1.330 410 L HN 1.027 nan 8.230 nan 0.000 0.410 411 T N -1.723 112.877 114.554 0.077 0.000 2.807 411 T HA 0.384 4.734 4.350 0.000 0.000 0.277 411 T C 1.033 175.779 174.700 0.077 0.000 1.006 411 T CA -0.074 62.076 62.100 0.084 0.000 1.006 411 T CB 1.287 70.213 68.868 0.097 0.000 1.274 411 T HN 0.803 nan 8.240 nan 0.000 0.569 412 S N -0.493 115.243 115.700 0.061 0.000 2.447 412 S HA -0.087 4.383 4.470 0.000 0.000 0.233 412 S C 0.973 175.551 174.600 -0.036 0.000 1.006 412 S CA 0.888 59.113 58.200 0.041 0.000 0.957 412 S CB -0.529 62.694 63.200 0.038 0.000 0.773 412 S HN 0.673 nan 8.310 nan 0.000 0.507 413 D N 0.160 120.508 120.400 -0.086 0.000 2.355 413 D HA 0.230 4.870 4.640 0.000 0.000 0.233 413 D C -0.003 176.033 176.300 -0.440 0.000 0.997 413 D CA 0.890 54.710 54.000 -0.300 0.000 0.920 413 D CB 0.057 40.663 40.800 -0.324 0.000 1.063 413 D HN 0.424 nan 8.370 nan 0.000 0.465 414 Y N -0.418 119.826 120.300 -0.094 0.000 2.621 414 Y HA 0.462 5.012 4.550 0.000 0.000 0.334 414 Y C -0.085 175.646 175.900 -0.283 0.000 1.074 414 Y CA -1.153 56.805 58.100 -0.237 0.000 1.149 414 Y CB 2.043 40.251 38.460 -0.419 0.000 1.302 414 Y HN -0.177 nan 8.280 nan 0.000 0.501 415 L N 2.076 123.173 121.223 -0.211 0.000 2.385 415 L HA 0.500 4.840 4.340 0.000 0.000 0.273 415 L C -2.047 174.616 176.870 -0.346 0.000 0.990 415 L CA -0.878 53.808 54.840 -0.257 0.000 0.821 415 L CB 1.089 42.948 42.059 -0.333 0.000 1.279 415 L HN 0.671 nan 8.230 nan 0.000 0.412 416 Y N 5.501 125.723 120.300 -0.131 0.000 2.360 416 Y HA 0.582 5.132 4.550 0.000 0.000 0.337 416 Y C -0.233 175.676 175.900 0.015 0.000 1.039 416 Y CA -0.392 57.636 58.100 -0.120 0.000 1.109 416 Y CB 1.638 39.973 38.460 -0.209 0.000 1.201 416 Y HN 0.570 nan 8.280 nan 0.000 0.458 417 Y N 0.201 120.580 120.300 0.133 0.000 2.625 417 Y HA 0.821 5.371 4.550 0.000 0.000 0.338 417 Y C -1.879 174.124 175.900 0.171 0.000 1.123 417 Y CA -2.129 56.041 58.100 0.117 0.000 1.046 417 Y CB 1.107 39.611 38.460 0.073 0.000 1.299 417 Y HN 0.446 nan 8.280 nan 0.000 0.464 418 I N 2.868 123.670 120.570 0.386 0.000 2.441 418 I HA 0.693 4.863 4.170 0.000 0.000 0.295 418 I C -0.466 175.902 176.117 0.419 0.000 0.994 418 I CA -0.507 60.962 61.300 0.281 0.000 1.144 418 I CB 2.090 40.171 38.000 0.135 0.000 1.314 418 I HN 0.891 nan 8.210 nan 0.000 0.445 419 S N 2.928 118.851 115.700 0.372 0.000 2.625 419 S HA 0.393 4.863 4.470 0.000 0.000 0.271 419 S C -0.789 173.909 174.600 0.164 0.000 1.161 419 S CA -0.926 57.463 58.200 0.314 0.000 0.820 419 S CB 1.648 65.126 63.200 0.463 0.000 1.137 419 S HN 0.640 nan 8.310 nan 0.000 0.470 420 N N -0.240 118.537 118.700 0.129 0.000 2.546 420 N HA 0.189 4.929 4.740 0.000 0.000 0.286 420 N C 0.353 175.851 175.510 -0.021 0.000 1.259 420 N CA -0.447 52.621 53.050 0.031 0.000 0.939 420 N CB 0.445 38.931 38.487 -0.002 0.000 1.243 420 N HN 0.799 nan 8.380 nan 0.000 0.511 421 E N -0.081 119.983 120.200 -0.226 0.000 2.086 421 E HA -0.089 4.261 4.350 0.000 0.000 0.190 421 E C -0.421 176.039 176.600 -0.233 0.000 0.975 421 E CA -0.073 55.965 56.400 -0.604 0.000 0.813 421 E CB -0.009 28.684 29.700 -1.677 0.000 0.768 421 E HN 0.485 nan 8.360 nan 0.000 0.457 422 Y N 2.257 122.468 120.300 -0.148 0.000 2.865 422 Y HA -0.182 4.368 4.550 0.000 0.000 0.338 422 Y C 0.372 176.230 175.900 -0.069 0.000 1.269 422 Y CA 0.930 58.986 58.100 -0.072 0.000 1.585 422 Y CB 0.194 38.636 38.460 -0.031 0.000 1.224 422 Y HN 0.087 nan 8.280 nan 0.000 0.554 423 K N 3.357 123.467 120.400 -0.483 0.000 3.104 423 K HA -0.278 4.042 4.320 0.000 0.000 0.285 423 K C 0.863 177.395 176.600 -0.112 0.000 1.136 423 K CA 0.740 56.833 56.287 -0.324 0.000 0.842 423 K CB -1.981 30.322 32.500 -0.328 0.000 1.217 423 K HN 1.238 nan 8.250 nan 0.000 0.467 424 G N 0.654 109.392 108.800 -0.104 0.000 2.203 424 G HA2 -0.339 3.621 3.960 0.000 0.000 0.263 424 G HA3 -0.339 3.621 3.960 0.000 0.000 0.263 424 G C 0.069 174.939 174.900 -0.050 0.000 1.012 424 G CA 0.841 45.920 45.100 -0.034 0.000 0.749 424 G HN 0.351 nan 8.290 nan 0.000 0.512 425 M N 0.134 119.638 119.600 -0.159 0.000 2.077 425 M HA 0.239 4.719 4.480 0.000 0.000 0.348 425 M C -1.240 174.807 176.300 -0.421 0.000 1.252 425 M CA -1.931 53.107 55.300 -0.437 0.000 1.096 425 M CB 1.501 33.909 32.600 -0.319 0.000 1.568 425 M HN -0.137 nan 8.290 nan 0.000 0.456 426 P HA -0.064 nan 4.420 nan 0.000 0.220 426 P C 1.203 178.340 177.300 -0.271 0.000 1.148 426 P CA 0.956 63.859 63.100 -0.327 0.000 0.803 426 P CB 0.175 31.671 31.700 -0.340 0.000 0.782 427 G N -1.034 107.548 108.800 -0.363 0.000 3.088 427 G HA2 0.258 4.218 3.960 0.000 0.000 0.212 427 G HA3 0.258 4.218 3.960 0.000 0.000 0.212 427 G C 0.604 175.503 174.900 -0.002 0.000 1.173 427 G CA 0.118 45.136 45.100 -0.138 0.000 0.779 427 G HN 0.391 nan 8.290 nan 0.000 0.540 428 G N -0.204 108.535 108.800 -0.102 0.000 2.453 428 G HA2 0.635 4.595 3.960 0.000 0.000 0.323 428 G HA3 0.635 4.595 3.960 0.000 0.000 0.323 428 G C -0.923 173.845 174.900 -0.221 0.000 1.198 428 G CA -0.795 44.264 45.100 -0.068 0.000 0.959 428 G HN 0.055 nan 8.290 nan 0.000 0.482 429 R N 0.871 121.170 120.500 -0.335 0.000 2.532 429 R HA 0.403 4.743 4.340 0.000 0.000 0.297 429 R C -1.150 175.098 176.300 -0.088 0.000 0.984 429 R CA -0.795 55.106 56.100 -0.332 0.000 0.884 429 R CB 1.925 31.781 30.300 -0.739 0.000 1.182 429 R HN 0.672 nan 8.270 nan 0.000 0.442 430 N N 0.636 119.312 118.700 -0.040 0.000 2.262 430 N HA 0.412 5.152 4.740 0.000 0.000 0.295 430 N C -1.386 173.959 175.510 -0.277 0.000 1.161 430 N CA -0.816 52.117 53.050 -0.195 0.000 0.767 430 N CB 2.008 40.257 38.487 -0.396 0.000 1.499 430 N HN 0.234 nan 8.380 nan 0.000 0.476 431 L N 2.357 123.278 121.223 -0.502 0.000 2.276 431 L HA 0.466 4.806 4.340 0.000 0.000 0.286 431 L C -1.641 174.832 176.870 -0.661 0.000 1.061 431 L CA -0.106 54.479 54.840 -0.425 0.000 0.807 431 L CB -0.239 41.591 42.059 -0.382 0.000 1.177 431 L HN 0.494 nan 8.230 nan 0.000 0.429 432 Y N 4.207 124.167 120.300 -0.565 0.000 2.393 432 Y HA 0.454 5.004 4.550 0.000 0.000 0.341 432 Y C -0.074 175.454 175.900 -0.621 0.000 0.988 432 Y CA -0.658 57.031 58.100 -0.685 0.000 1.078 432 Y CB 1.639 39.475 38.460 -1.040 0.000 1.203 432 Y HN 0.473 nan 8.280 nan 0.000 0.453 433 K N 4.687 124.903 120.400 -0.306 0.000 2.213 433 K HA 0.551 4.871 4.320 0.000 0.000 0.270 433 K C -1.537 174.932 176.600 -0.219 0.000 1.002 433 K CA -0.484 55.538 56.287 -0.441 0.000 0.868 433 K CB 0.984 33.160 32.500 -0.541 0.000 1.093 433 K HN 0.849 nan 8.250 nan 0.000 0.454 434 I N 3.748 124.238 120.570 -0.134 0.000 2.406 434 I HA 0.155 4.325 4.170 0.000 0.000 0.290 434 I C -0.602 175.599 176.117 0.139 0.000 0.999 434 I CA -0.693 60.652 61.300 0.076 0.000 1.124 434 I CB 1.734 39.851 38.000 0.195 0.000 1.289 434 I HN 0.714 nan 8.210 nan 0.000 0.441 435 Q N 5.192 125.110 119.800 0.197 0.000 2.296 435 Q HA 0.129 4.469 4.340 0.000 0.000 0.262 435 Q C 0.132 176.134 176.000 0.003 0.000 0.981 435 Q CA -0.459 55.399 55.803 0.092 0.000 0.905 435 Q CB 1.309 30.081 28.738 0.057 0.000 1.186 435 Q HN 0.745 nan 8.270 nan 0.000 0.399 436 L N 2.834 123.998 121.223 -0.099 0.000 2.093 436 L HA -0.174 4.166 4.340 0.000 0.000 0.208 436 L C 2.351 179.002 176.870 -0.366 0.000 1.085 436 L CA 1.888 56.688 54.840 -0.068 0.000 0.755 436 L CB -0.930 41.106 42.059 -0.039 0.000 0.904 436 L HN 0.807 nan 8.230 nan 0.000 0.435 437 S N -1.730 113.776 115.700 -0.322 0.000 2.383 437 S HA -0.111 4.359 4.470 0.000 0.000 0.227 437 S C 0.789 175.147 174.600 -0.403 0.000 1.026 437 S CA 0.800 58.801 58.200 -0.331 0.000 0.981 437 S CB -0.252 62.809 63.200 -0.231 0.000 0.818 437 S HN 0.423 nan 8.310 nan 0.000 0.472 438 D N -0.538 119.659 120.400 -0.338 0.000 2.542 438 D HA 0.376 5.016 4.640 0.000 0.000 0.252 438 D C -0.436 175.774 176.300 -0.151 0.000 1.222 438 D CA -0.762 53.077 54.000 -0.268 0.000 0.895 438 D CB 0.662 41.384 40.800 -0.131 0.000 1.207 438 D HN 0.017 nan 8.370 nan 0.000 0.558 439 Y N 1.395 121.669 120.300 -0.044 0.000 2.571 439 Y HA -0.017 4.533 4.550 0.000 0.000 0.294 439 Y C 2.449 178.348 175.900 -0.001 0.000 1.141 439 Y CA 1.132 59.216 58.100 -0.026 0.000 1.308 439 Y CB -0.582 37.855 38.460 -0.038 0.000 1.002 439 Y HN 0.489 nan 8.280 nan 0.000 0.551 440 T N -3.083 111.542 114.554 0.118 0.000 3.088 440 T HA -0.012 4.338 4.350 0.000 0.000 0.259 440 T C 0.976 175.720 174.700 0.072 0.000 1.122 440 T CA 0.147 62.295 62.100 0.080 0.000 1.095 440 T CB -0.161 68.732 68.868 0.042 0.000 0.930 440 T HN 0.070 nan 8.240 nan 0.000 0.508 441 K N 2.325 122.768 120.400 0.072 0.000 2.480 441 K HA 0.362 4.682 4.320 0.000 0.000 0.241 441 K C -1.030 175.623 176.600 0.088 0.000 1.261 441 K CA -0.283 56.044 56.287 0.067 0.000 1.193 441 K CB 0.094 32.630 32.500 0.059 0.000 1.598 441 K HN 0.225 nan 8.250 nan 0.000 0.278 442 V N 1.673 121.640 119.914 0.088 0.000 2.370 442 V HA 0.230 4.350 4.120 0.000 0.000 0.279 442 V C 0.144 176.276 176.094 0.064 0.000 1.029 442 V CA -0.742 61.618 62.300 0.100 0.000 0.870 442 V CB 1.486 33.399 31.823 0.151 0.000 0.984 442 V HN 0.381 nan 8.190 nan 0.000 0.451 443 T N 3.422 117.980 114.554 0.007 0.000 2.807 443 T HA 0.272 4.623 4.350 0.000 0.000 0.279 443 T C -0.369 174.254 174.700 -0.128 0.000 0.993 443 T CA -0.328 61.736 62.100 -0.059 0.000 0.970 443 T CB 1.412 70.209 68.868 -0.120 0.000 0.950 443 T HN 0.778 nan 8.240 nan 0.000 0.441 444 C N 5.233 124.406 119.300 -0.211 0.000 2.373 444 C HA 0.421 4.881 4.460 0.000 0.000 0.354 444 C C 1.689 176.381 174.990 -0.497 0.000 1.249 444 C CA -0.625 58.048 59.018 -0.574 0.000 1.784 444 C CB -1.963 25.341 27.740 -0.727 0.000 2.408 444 C HN 0.986 nan 8.230 nan 0.000 0.542 445 L N 4.604 125.509 121.223 -0.530 0.000 2.375 445 L HA 0.061 4.401 4.340 0.000 0.000 0.215 445 L C 2.242 178.794 176.870 -0.531 0.000 1.108 445 L CA 1.071 55.661 54.840 -0.417 0.000 0.830 445 L CB -0.344 41.524 42.059 -0.318 0.000 0.959 445 L HN 0.868 nan 8.230 nan 0.000 0.457 446 S N -2.658 112.610 115.700 -0.721 0.000 2.539 446 S HA -0.034 4.436 4.470 0.000 0.000 0.226 446 S C 1.977 176.146 174.600 -0.719 0.000 1.054 446 S CA 0.093 57.739 58.200 -0.924 0.000 0.910 446 S CB -0.409 61.863 63.200 -1.546 0.000 0.818 446 S HN 0.311 nan 8.310 nan 0.000 0.490 447 C N 2.339 121.186 119.300 -0.756 0.000 2.369 447 C HA -0.130 4.330 4.460 0.000 0.000 0.273 447 C C 2.048 176.684 174.990 -0.589 0.000 1.172 447 C CA 1.613 60.085 59.018 -0.910 0.000 1.791 447 C CB -1.209 25.697 27.740 -1.390 0.000 2.086 447 C HN 0.696 nan 8.230 nan 0.000 0.459 448 E N -0.633 119.328 120.200 -0.399 0.000 2.685 448 E HA 0.233 4.583 4.350 0.000 0.000 0.208 448 E C 1.409 177.937 176.600 -0.120 0.000 0.996 448 E CA -0.262 56.025 56.400 -0.189 0.000 1.054 448 E CB 0.158 29.780 29.700 -0.131 0.000 1.075 448 E HN 0.578 nan 8.360 nan 0.000 0.460 449 L N 0.389 121.535 121.223 -0.129 0.000 2.027 449 L HA -0.018 4.322 4.340 0.000 0.000 0.206 449 L C 0.891 177.760 176.870 -0.001 0.000 1.074 449 L CA 0.818 55.624 54.840 -0.056 0.000 0.745 449 L CB 0.126 42.157 42.059 -0.046 0.000 0.898 449 L HN 0.121 nan 8.230 nan 0.000 0.433 450 N N -1.149 117.568 118.700 0.029 0.000 2.701 450 N HA 0.141 4.881 4.740 0.000 0.000 0.258 450 N C -2.142 173.392 175.510 0.040 0.000 1.262 450 N CA -1.453 51.612 53.050 0.025 0.000 0.780 450 N CB 1.299 39.795 38.487 0.016 0.000 1.380 450 N HN -0.224 nan 8.380 nan 0.000 0.548 451 P HA -0.129 nan 4.420 nan 0.000 0.220 451 P C 0.876 178.223 177.300 0.078 0.000 1.148 451 P CA 1.015 64.171 63.100 0.094 0.000 0.803 451 P CB 0.889 32.667 31.700 0.131 0.000 0.782 452 E N 0.654 120.878 120.200 0.040 0.000 2.008 452 E HA -0.172 4.178 4.350 0.000 0.000 0.191 452 E C 2.179 178.779 176.600 0.000 0.000 0.986 452 E CA 1.017 57.429 56.400 0.020 0.000 0.807 452 E CB -0.063 29.641 29.700 0.006 0.000 0.766 452 E HN 0.127 nan 8.360 nan 0.000 0.450 453 R N -1.071 119.415 120.500 -0.023 0.000 2.317 453 R HA 0.200 4.540 4.340 0.000 0.000 0.208 453 R C -0.447 175.803 176.300 -0.083 0.000 0.914 453 R CA 0.186 56.251 56.100 -0.060 0.000 1.060 453 R CB 0.044 30.292 30.300 -0.087 0.000 1.015 453 R HN -0.022 nan 8.270 nan 0.000 0.498 454 c N 1.228 119.793 118.600 -0.058 0.000 2.455 454 c HA 0.391 4.961 4.570 0.000 0.000 0.321 454 c C -0.143 173.928 174.090 -0.032 0.000 1.102 454 c CA -0.550 55.697 56.329 -0.137 0.000 1.413 454 c CB 1.079 43.502 42.510 -0.146 0.000 1.952 454 c HN 0.607 nan 8.230 nan 0.000 0.428 455 Q N 0.418 120.193 119.800 -0.042 0.000 2.140 455 Q HA 0.229 4.569 4.340 0.000 0.000 0.227 455 Q C -0.828 175.212 176.000 0.066 0.000 0.798 455 Q CA 0.149 55.993 55.803 0.069 0.000 0.987 455 Q CB 1.279 30.074 28.738 0.096 0.000 1.161 455 Q HN 0.769 nan 8.270 nan 0.000 0.480 456 Y N 0.408 120.594 120.300 -0.189 0.000 2.363 456 Y HA 0.406 4.956 4.550 0.000 0.000 0.325 456 Y C -1.567 174.162 175.900 -0.285 0.000 0.984 456 Y CA -1.034 56.974 58.100 -0.153 0.000 1.248 456 Y CB 0.814 39.198 38.460 -0.127 0.000 1.116 456 Y HN -0.083 nan 8.280 nan 0.000 0.470 457 Y N 2.443 122.670 120.300 -0.122 0.000 2.446 457 Y HA 0.590 5.141 4.550 0.000 0.000 0.345 457 Y C -0.005 175.844 175.900 -0.085 0.000 0.984 457 Y CA -0.670 57.374 58.100 -0.094 0.000 1.058 457 Y CB 2.277 40.644 38.460 -0.154 0.000 1.220 457 Y HN 0.525 nan 8.280 nan 0.000 0.455 458 S N 1.569 117.356 115.700 0.145 0.000 2.599 458 S HA 0.863 5.333 4.470 0.000 0.000 0.294 458 S C -1.632 173.029 174.600 0.101 0.000 1.094 458 S CA -0.767 57.503 58.200 0.117 0.000 0.931 458 S CB 1.904 65.188 63.200 0.139 0.000 1.093 458 S HN 0.575 nan 8.310 nan 0.000 0.488 459 V N 0.954 120.915 119.914 0.078 0.000 2.789 459 V HA 0.825 4.945 4.120 0.000 0.000 0.311 459 V C -0.944 175.170 176.094 0.034 0.000 1.073 459 V CA -0.302 61.992 62.300 -0.009 0.000 0.921 459 V CB 2.235 33.945 31.823 -0.187 0.000 1.009 459 V HN 1.120 nan 8.190 nan 0.000 0.426 460 S N 5.702 121.411 115.700 0.015 0.000 2.659 460 S HA 0.698 5.168 4.470 0.000 0.000 0.312 460 S C -1.035 173.622 174.600 0.095 0.000 1.114 460 S CA -0.406 57.896 58.200 0.170 0.000 1.063 460 S CB 0.466 63.849 63.200 0.305 0.000 0.996 460 S HN 0.502 nan 8.310 nan 0.000 0.478 461 F N 2.808 122.821 119.950 0.105 0.000 2.370 461 F HA 0.444 4.971 4.527 0.000 0.000 0.324 461 F C 1.464 176.960 175.800 -0.507 0.000 1.116 461 F CA -0.325 57.603 58.000 -0.120 0.000 1.123 461 F CB 1.260 40.159 39.000 -0.168 0.000 1.238 461 F HN 0.638 nan 8.300 nan 0.000 0.536 462 S N 0.914 116.159 115.700 -0.760 0.000 2.640 462 S HA 0.175 4.645 4.470 0.000 0.000 0.262 462 S C 1.222 175.607 174.600 -0.359 0.000 1.232 462 S CA -0.658 56.816 58.200 -1.210 0.000 0.988 462 S CB 0.774 63.220 63.200 -1.257 0.000 1.034 462 S HN 0.605 nan 8.310 nan 0.000 0.569 463 K N 0.662 120.956 120.400 -0.177 0.000 2.034 463 K HA -0.120 4.200 4.320 0.000 0.000 0.214 463 K C 1.532 178.119 176.600 -0.023 0.000 1.051 463 K CA 2.150 58.429 56.287 -0.012 0.000 0.931 463 K CB -0.556 31.975 32.500 0.053 0.000 0.715 463 K HN 0.740 nan 8.250 nan 0.000 0.446 464 E N -1.587 118.575 120.200 -0.064 0.000 2.476 464 E HA 0.383 4.733 4.350 0.000 0.000 0.196 464 E C -0.648 175.902 176.600 -0.084 0.000 1.029 464 E CA 0.589 56.960 56.400 -0.049 0.000 0.896 464 E CB 0.823 30.504 29.700 -0.032 0.000 1.012 464 E HN 0.350 nan 8.360 nan 0.000 0.475 465 A N 0.762 123.513 122.820 -0.115 0.000 2.914 465 A HA -0.279 4.041 4.320 0.000 0.000 0.280 465 A C 1.227 178.775 177.584 -0.061 0.000 1.447 465 A CA 0.995 52.995 52.037 -0.062 0.000 0.759 465 A CB -1.813 17.050 19.000 -0.227 0.000 1.034 465 A HN 0.209 nan 8.150 nan 0.000 0.529 466 K N -1.721 118.565 120.400 -0.189 0.000 2.284 466 K HA 0.154 4.474 4.320 0.000 0.000 0.198 466 K C -0.179 176.121 176.600 -0.501 0.000 1.048 466 K CA 1.078 57.154 56.287 -0.351 0.000 0.987 466 K CB 0.260 32.455 32.500 -0.509 0.000 0.800 466 K HN 0.737 nan 8.250 nan 0.000 0.486 467 Y N 0.008 120.242 120.300 -0.110 0.000 2.462 467 Y HA 0.306 4.856 4.550 0.000 0.000 0.346 467 Y C -0.510 175.343 175.900 -0.077 0.000 0.976 467 Y CA -1.642 56.416 58.100 -0.070 0.000 1.044 467 Y CB 1.425 39.897 38.460 0.018 0.000 1.230 467 Y HN -0.041 nan 8.280 nan 0.000 0.455 468 Y N -0.635 119.690 120.300 0.042 0.000 2.504 468 Y HA 0.549 5.099 4.550 0.000 0.000 0.344 468 Y C -1.163 174.752 175.900 0.025 0.000 1.023 468 Y CA -1.493 56.510 58.100 -0.162 0.000 1.020 468 Y CB 1.525 39.485 38.460 -0.834 0.000 1.282 468 Y HN 0.626 nan 8.280 nan 0.000 0.454 469 Q N 3.571 123.477 119.800 0.176 0.000 2.257 469 Q HA 0.548 4.889 4.340 0.000 0.000 0.255 469 Q C -1.719 174.355 176.000 0.123 0.000 0.920 469 Q CA -0.790 55.086 55.803 0.121 0.000 0.927 469 Q CB 1.306 30.111 28.738 0.113 0.000 1.229 469 Q HN 0.967 nan 8.270 nan 0.000 0.433 470 L N 4.394 125.703 121.223 0.143 0.000 2.287 470 L HA 0.488 4.828 4.340 0.000 0.000 0.287 470 L C -0.096 176.811 176.870 0.060 0.000 1.022 470 L CA -0.471 54.460 54.840 0.151 0.000 0.814 470 L CB 1.435 43.608 42.059 0.191 0.000 1.217 470 L HN 0.537 nan 8.230 nan 0.000 0.420 471 R N 3.595 124.088 120.500 -0.011 0.000 2.204 471 R HA 0.273 4.613 4.340 0.000 0.000 0.341 471 R C -0.806 175.300 176.300 -0.323 0.000 1.035 471 R CA -0.427 55.462 56.100 -0.351 0.000 0.887 471 R CB 0.918 31.103 30.300 -0.193 0.000 1.114 471 R HN 0.671 nan 8.270 nan 0.000 0.473 472 c N 3.956 122.247 118.600 -0.516 0.000 2.394 472 c HA 0.322 4.892 4.570 0.000 0.000 0.362 472 c C 0.939 174.778 174.090 -0.418 0.000 1.268 472 c CA -0.344 55.596 56.329 -0.649 0.000 1.828 472 c CB 0.361 42.452 42.510 -0.699 0.000 2.442 472 c HN 0.986 nan 8.230 nan 0.000 0.549 473 S N 3.774 119.322 115.700 -0.253 0.000 2.540 473 S HA 0.205 4.675 4.470 0.000 0.000 0.218 473 S C 1.243 175.781 174.600 -0.103 0.000 0.977 473 S CA 0.237 58.359 58.200 -0.130 0.000 0.918 473 S CB -0.012 63.126 63.200 -0.104 0.000 0.806 473 S HN 1.135 nan 8.310 nan 0.000 0.496 474 G N 3.115 111.821 108.800 -0.157 0.000 3.076 474 G HA2 0.002 3.962 3.960 0.000 0.000 0.248 474 G HA3 0.002 3.962 3.960 0.000 0.000 0.248 474 G C -1.471 173.403 174.900 -0.044 0.000 1.258 474 G CA -0.606 44.433 45.100 -0.102 0.000 0.895 474 G HN 0.119 nan 8.290 nan 0.000 0.618 475 P HA -0.113 nan 4.420 nan 0.000 0.217 475 P C 1.468 178.765 177.300 -0.005 0.000 1.158 475 P CA 1.821 64.934 63.100 0.022 0.000 0.887 475 P CB -0.163 31.542 31.700 0.008 0.000 0.792 476 G N -1.239 107.493 108.800 -0.114 0.000 2.535 476 G HA2 0.340 4.300 3.960 0.000 0.000 0.282 476 G HA3 0.340 4.300 3.960 0.000 0.000 0.282 476 G C -0.655 173.981 174.900 -0.440 0.000 1.350 476 G CA -0.485 44.455 45.100 -0.267 0.000 1.039 476 G HN -0.028 nan 8.290 nan 0.000 0.509 477 L N 1.332 122.217 121.223 -0.563 0.000 2.525 477 L HA 0.180 4.520 4.340 0.000 0.000 0.278 477 L C -1.661 175.073 176.870 -0.226 0.000 1.218 477 L CA -0.569 53.962 54.840 -0.514 0.000 0.878 477 L CB 0.126 41.967 42.059 -0.365 0.000 1.127 477 L HN 0.233 nan 8.230 nan 0.000 0.492 478 P HA 0.103 nan 4.420 nan 0.000 0.265 478 P C -1.019 176.250 177.300 -0.052 0.000 1.187 478 P CA -0.095 62.963 63.100 -0.071 0.000 0.766 478 P CB 0.557 32.311 31.700 0.090 0.000 0.820 479 L N 4.454 125.554 121.223 -0.205 0.000 2.409 479 L HA 0.494 4.834 4.340 0.000 0.000 0.272 479 L C -1.733 174.984 176.870 -0.255 0.000 0.980 479 L CA -0.574 54.196 54.840 -0.117 0.000 0.826 479 L CB 1.115 43.108 42.059 -0.109 0.000 1.268 479 L HN 0.255 nan 8.230 nan 0.000 0.407 480 Y N 2.836 123.082 120.300 -0.090 0.000 2.328 480 Y HA 0.698 5.248 4.550 0.000 0.000 0.336 480 Y C 0.201 175.969 175.900 -0.219 0.000 0.960 480 Y CA -0.572 57.452 58.100 -0.127 0.000 1.134 480 Y CB 2.170 40.540 38.460 -0.149 0.000 1.166 480 Y HN 0.653 nan 8.280 nan 0.000 0.464 481 T N 1.655 116.174 114.554 -0.058 0.000 2.909 481 T HA 0.589 4.939 4.350 0.000 0.000 0.299 481 T C -1.308 173.227 174.700 -0.275 0.000 1.073 481 T CA -0.877 61.104 62.100 -0.198 0.000 0.999 481 T CB 1.608 70.387 68.868 -0.148 0.000 1.098 481 T HN 0.571 nan 8.240 nan 0.000 0.477 482 L N 3.140 124.110 121.223 -0.421 0.000 2.295 482 L HA 0.541 4.881 4.340 0.000 0.000 0.285 482 L C -0.535 175.974 176.870 -0.603 0.000 1.035 482 L CA -0.767 53.876 54.840 -0.329 0.000 0.806 482 L CB 0.842 42.814 42.059 -0.146 0.000 1.214 482 L HN 0.809 nan 8.230 nan 0.000 0.426 483 H N 1.958 120.765 119.070 -0.438 0.000 2.690 483 H HA 0.280 4.836 4.556 0.000 0.000 0.368 483 H C -0.557 174.470 175.328 -0.502 0.000 1.150 483 H CA -0.732 54.966 56.048 -0.584 0.000 1.174 483 H CB 2.261 31.412 29.762 -1.017 0.000 1.684 483 H HN 0.534 nan 8.280 nan 0.000 0.538 484 S N 0.590 116.223 115.700 -0.112 0.000 2.480 484 S HA 0.102 4.573 4.470 0.000 0.000 0.286 484 S C 1.057 175.684 174.600 0.045 0.000 1.180 484 S CA -0.434 57.736 58.200 -0.049 0.000 1.075 484 S CB 1.249 64.428 63.200 -0.036 0.000 0.996 484 S HN 0.675 nan 8.310 nan 0.000 0.487 485 S N 2.808 118.593 115.700 0.141 0.000 2.562 485 S HA -0.059 4.411 4.470 0.000 0.000 0.221 485 S C 1.578 176.240 174.600 0.102 0.000 0.975 485 S CA 0.399 58.749 58.200 0.250 0.000 0.918 485 S CB -0.452 62.877 63.200 0.215 0.000 0.772 485 S HN 0.777 nan 8.310 nan 0.000 0.531 486 V N 3.190 123.115 119.914 0.018 0.000 2.324 486 V HA -0.209 3.911 4.120 0.000 0.000 0.250 486 V C 0.783 176.897 176.094 0.034 0.000 1.060 486 V CA 2.373 64.681 62.300 0.014 0.000 1.042 486 V CB -0.680 31.125 31.823 -0.030 0.000 0.650 486 V HN 0.908 nan 8.190 nan 0.000 0.450 487 N N -2.239 116.476 118.700 0.025 0.000 2.453 487 N HA 0.142 4.882 4.740 0.000 0.000 0.267 487 N C -0.304 175.216 175.510 0.015 0.000 1.482 487 N CA 0.300 53.358 53.050 0.015 0.000 0.841 487 N CB -0.282 38.212 38.487 0.012 0.000 1.408 487 N HN 0.375 nan 8.380 nan 0.000 0.490 488 D N 0.037 120.467 120.400 0.050 0.000 2.911 488 D HA -0.190 4.450 4.640 0.000 0.000 0.227 488 D C -0.745 175.580 176.300 0.042 0.000 1.164 488 D CA 0.944 54.986 54.000 0.070 0.000 0.782 488 D CB -0.802 40.017 40.800 0.030 0.000 1.094 488 D HN 0.603 nan 8.370 nan 0.000 0.425 489 K N 0.645 121.061 120.400 0.027 0.000 2.234 489 K HA 0.417 4.737 4.320 0.000 0.000 0.282 489 K C 1.019 177.625 176.600 0.010 0.000 1.039 489 K CA -0.170 56.126 56.287 0.015 0.000 0.928 489 K CB 1.190 33.688 32.500 -0.003 0.000 1.039 489 K HN 0.070 nan 8.250 nan 0.000 0.470 490 G N 2.904 111.711 108.800 0.011 0.000 2.361 490 G HA2 0.081 4.041 3.960 0.000 0.000 0.260 490 G HA3 0.081 4.041 3.960 0.000 0.000 0.260 490 G C 0.752 175.547 174.900 -0.175 0.000 1.261 490 G CA -0.340 44.673 45.100 -0.144 0.000 0.897 490 G HN 0.591 nan 8.290 nan 0.000 0.499 491 L N 1.889 122.971 121.223 -0.235 0.000 2.034 491 L HA 0.277 4.617 4.340 0.000 0.000 0.203 491 L C 1.750 178.536 176.870 -0.141 0.000 1.074 491 L CA 1.040 55.800 54.840 -0.135 0.000 0.748 491 L CB -0.106 41.908 42.059 -0.075 0.000 0.905 491 L HN 0.759 nan 8.230 nan 0.000 0.439 492 R N -1.811 118.567 120.500 -0.203 0.000 2.741 492 R HA 0.385 4.725 4.340 0.000 0.000 0.274 492 R C -1.699 174.465 176.300 -0.226 0.000 1.029 492 R CA -0.816 55.182 56.100 -0.171 0.000 0.880 492 R CB 1.484 31.718 30.300 -0.110 0.000 1.264 492 R HN -0.244 nan 8.270 nan 0.000 0.465 493 V N 3.084 122.888 119.914 -0.183 0.000 2.406 493 V HA 0.184 4.304 4.120 0.000 0.000 0.272 493 V C 1.349 177.277 176.094 -0.277 0.000 1.043 493 V CA -0.361 61.822 62.300 -0.195 0.000 0.915 493 V CB 1.072 32.822 31.823 -0.122 0.000 0.988 493 V HN 0.630 nan 8.190 nan 0.000 0.466 494 L N 2.733 123.700 121.223 -0.426 0.000 2.130 494 L HA 0.273 4.613 4.340 0.000 0.000 0.200 494 L C 0.788 177.309 176.870 -0.582 0.000 1.075 494 L CA 0.793 55.120 54.840 -0.855 0.000 0.768 494 L CB 0.133 41.270 42.059 -1.538 0.000 0.933 494 L HN 0.621 nan 8.230 nan 0.000 0.451 495 E N -0.100 119.935 120.200 -0.275 0.000 2.287 495 E HA 0.103 4.453 4.350 0.000 0.000 0.274 495 E C -1.016 175.609 176.600 0.042 0.000 0.896 495 E CA -0.389 55.981 56.400 -0.049 0.000 0.788 495 E CB 1.253 30.957 29.700 0.007 0.000 1.244 495 E HN 0.182 nan 8.360 nan 0.000 0.408 496 D N 2.997 123.406 120.400 0.015 0.000 2.398 496 D HA 0.097 4.737 4.640 0.000 0.000 0.210 496 D C -0.155 176.153 176.300 0.014 0.000 1.094 496 D CA -0.184 53.820 54.000 0.007 0.000 0.839 496 D CB 0.016 40.804 40.800 -0.020 0.000 0.963 496 D HN 0.453 nan 8.370 nan 0.000 0.506 497 N N 0.249 118.973 118.700 0.040 0.000 2.725 497 N HA -0.213 4.527 4.740 0.000 0.000 0.249 497 N C 0.938 176.458 175.510 0.017 0.000 1.103 497 N CA 0.914 53.988 53.050 0.040 0.000 0.707 497 N CB -1.361 37.151 38.487 0.043 0.000 1.043 497 N HN 0.472 nan 8.380 nan 0.000 0.553 498 S N -1.252 114.456 115.700 0.014 0.000 2.399 498 S HA -0.031 4.439 4.470 0.000 0.000 0.231 498 S C 2.110 176.725 174.600 0.026 0.000 1.022 498 S CA 1.007 59.212 58.200 0.009 0.000 0.983 498 S CB -0.126 63.077 63.200 0.006 0.000 0.803 498 S HN 0.504 nan 8.310 nan 0.000 0.480 499 A N 2.162 125.007 122.820 0.041 0.000 1.865 499 A HA -0.001 4.320 4.320 0.000 0.000 0.217 499 A C 2.255 179.884 177.584 0.076 0.000 1.191 499 A CA 1.751 53.822 52.037 0.057 0.000 0.623 499 A CB -1.008 18.029 19.000 0.062 0.000 0.826 499 A HN 0.540 nan 8.150 nan 0.000 0.444 500 L N -0.009 121.264 121.223 0.082 0.000 2.093 500 L HA -0.138 4.202 4.340 0.000 0.000 0.208 500 L C 2.025 178.935 176.870 0.067 0.000 1.085 500 L CA 2.433 57.340 54.840 0.112 0.000 0.755 500 L CB -0.506 41.625 42.059 0.119 0.000 0.904 500 L HN 0.506 nan 8.230 nan 0.000 0.435 501 D N -0.358 120.053 120.400 0.018 0.000 2.117 501 D HA -0.266 4.374 4.640 0.000 0.000 0.197 501 D C 2.067 178.372 176.300 0.008 0.000 0.987 501 D CA 1.162 55.153 54.000 -0.015 0.000 0.829 501 D CB 0.126 40.905 40.800 -0.034 0.000 0.961 501 D HN 0.378 nan 8.370 nan 0.000 0.460 502 K N -0.046 120.372 120.400 0.031 0.000 2.057 502 K HA -0.115 4.205 4.320 0.000 0.000 0.207 502 K C 2.395 179.033 176.600 0.064 0.000 1.049 502 K CA 0.809 57.120 56.287 0.041 0.000 0.931 502 K CB -0.051 32.476 32.500 0.045 0.000 0.714 502 K HN 0.185 nan 8.250 nan 0.000 0.440 503 M N 0.303 119.965 119.600 0.103 0.000 2.175 503 M HA -0.156 4.324 4.480 0.000 0.000 0.264 503 M C 1.860 178.215 176.300 0.092 0.000 1.063 503 M CA 1.010 56.413 55.300 0.171 0.000 1.119 503 M CB -0.072 32.723 32.600 0.326 0.000 1.377 503 M HN 0.074 nan 8.290 nan 0.000 0.415 504 L N 0.025 121.254 121.223 0.010 0.000 2.313 504 L HA -0.087 4.253 4.340 0.000 0.000 0.214 504 L C 2.154 178.994 176.870 -0.049 0.000 1.119 504 L CA 1.549 56.337 54.840 -0.087 0.000 0.809 504 L CB -0.647 41.363 42.059 -0.081 0.000 0.933 504 L HN 0.317 nan 8.230 nan 0.000 0.449 505 Q N -1.206 118.586 119.800 -0.013 0.000 2.472 505 Q HA -0.090 4.250 4.340 0.000 0.000 0.208 505 Q C 1.574 177.583 176.000 0.015 0.000 0.958 505 Q CA 0.380 56.180 55.803 -0.004 0.000 0.932 505 Q CB -0.071 28.668 28.738 0.001 0.000 1.007 505 Q HN 0.580 nan 8.270 nan 0.000 0.508 506 N N 0.420 119.136 118.700 0.027 0.000 2.405 506 N HA -0.011 4.729 4.740 0.000 0.000 0.175 506 N C 0.234 175.774 175.510 0.051 0.000 1.051 506 N CA 0.124 53.204 53.050 0.051 0.000 0.899 506 N CB 0.830 39.365 38.487 0.080 0.000 1.000 506 N HN 0.045 nan 8.380 nan 0.000 0.451 507 V N -0.341 119.583 119.914 0.015 0.000 2.667 507 V HA 0.396 4.516 4.120 0.000 0.000 0.308 507 V C -0.464 175.635 176.094 0.009 0.000 1.048 507 V CA -0.813 61.498 62.300 0.018 0.000 0.928 507 V CB 1.762 33.565 31.823 -0.033 0.000 1.004 507 V HN -0.021 nan 8.190 nan 0.000 0.444 508 Q N 4.509 124.335 119.800 0.044 0.000 2.431 508 Q HA 0.352 4.692 4.340 0.000 0.000 0.234 508 Q C -0.348 175.645 176.000 -0.011 0.000 1.203 508 Q CA -0.181 55.636 55.803 0.023 0.000 0.902 508 Q CB 0.585 29.380 28.738 0.095 0.000 1.455 508 Q HN 0.652 nan 8.270 nan 0.000 0.515 509 M N 3.722 123.291 119.600 -0.053 0.000 2.242 509 M HA 0.323 4.803 4.480 0.000 0.000 0.344 509 M C -2.014 174.229 176.300 -0.094 0.000 1.140 509 M CA -2.470 52.788 55.300 -0.070 0.000 1.160 509 M CB 0.002 32.564 32.600 -0.063 0.000 1.491 509 M HN 0.316 nan 8.290 nan 0.000 0.459 510 P HA 0.262 nan 4.420 nan 0.000 0.276 510 P C -0.853 176.369 177.300 -0.130 0.000 1.252 510 P CA -0.404 62.613 63.100 -0.138 0.000 0.802 510 P CB 0.481 32.083 31.700 -0.164 0.000 1.035 511 S N -0.219 115.383 115.700 -0.164 0.000 2.722 511 S HA 0.594 5.064 4.470 0.000 0.000 0.292 511 S C -0.373 174.130 174.600 -0.162 0.000 1.135 511 S CA -0.770 57.344 58.200 -0.143 0.000 1.003 511 S CB 1.377 64.486 63.200 -0.151 0.000 1.067 511 S HN 0.503 nan 8.310 nan 0.000 0.546 512 K N 0.362 120.693 120.400 -0.115 0.000 2.426 512 K HA 0.393 4.713 4.320 0.000 0.000 0.254 512 K C -1.464 175.080 176.600 -0.093 0.000 0.936 512 K CA -0.464 55.760 56.287 -0.105 0.000 0.801 512 K CB 1.337 33.804 32.500 -0.054 0.000 1.139 512 K HN 0.683 nan 8.250 nan 0.000 0.424 513 K N 5.654 125.988 120.400 -0.110 0.000 2.339 513 K HA 0.317 4.637 4.320 0.000 0.000 0.264 513 K C -1.176 175.377 176.600 -0.079 0.000 0.986 513 K CA -0.635 55.602 56.287 -0.084 0.000 0.866 513 K CB 0.941 33.385 32.500 -0.093 0.000 1.103 513 K HN 0.567 nan 8.250 nan 0.000 0.441 514 L N 4.105 125.302 121.223 -0.045 0.000 2.295 514 L HA 0.454 4.794 4.340 0.000 0.000 0.285 514 L C -0.890 175.955 176.870 -0.042 0.000 1.035 514 L CA -0.029 54.804 54.840 -0.013 0.000 0.806 514 L CB 1.245 43.361 42.059 0.095 0.000 1.214 514 L HN 0.847 nan 8.230 nan 0.000 0.426 515 D N 2.485 122.730 120.400 -0.258 0.000 2.692 515 D HA 0.343 4.983 4.640 0.000 0.000 0.290 515 D C -1.465 174.519 176.300 -0.527 0.000 1.281 515 D CA -0.161 53.624 54.000 -0.359 0.000 0.804 515 D CB 1.925 42.463 40.800 -0.436 0.000 1.331 515 D HN 0.207 nan 8.370 nan 0.000 0.432 516 F N 0.192 119.754 119.950 -0.646 0.000 2.556 516 F HA 0.797 5.324 4.527 0.000 0.000 0.327 516 F C -0.286 175.536 175.800 0.037 0.000 1.059 516 F CA -0.960 56.691 58.000 -0.582 0.000 0.953 516 F CB 0.857 39.040 39.000 -1.363 0.000 1.227 516 F HN 0.257 nan 8.300 nan 0.000 0.478 517 I N 0.150 120.947 120.570 0.379 0.000 2.785 517 I HA 0.650 4.820 4.170 0.000 0.000 0.302 517 I C -1.249 175.107 176.117 0.398 0.000 1.069 517 I CA -1.331 60.157 61.300 0.313 0.000 1.045 517 I CB 2.347 40.519 38.000 0.287 0.000 1.236 517 I HN 0.616 nan 8.210 nan 0.000 0.429 518 I N 4.590 125.334 120.570 0.289 0.000 2.331 518 I HA 0.452 4.622 4.170 0.000 0.000 0.292 518 I C -0.997 175.261 176.117 0.234 0.000 0.998 518 I CA -0.476 60.990 61.300 0.277 0.000 1.267 518 I CB 1.311 39.437 38.000 0.210 0.000 1.386 518 I HN 0.342 nan 8.210 nan 0.000 0.476 519 L N 6.328 127.742 121.223 0.319 0.000 2.409 519 L HA 0.443 4.783 4.340 0.000 0.000 0.272 519 L C -0.072 176.944 176.870 0.242 0.000 0.980 519 L CA -0.526 54.449 54.840 0.225 0.000 0.826 519 L CB 1.451 43.596 42.059 0.142 0.000 1.268 519 L HN 0.463 nan 8.230 nan 0.000 0.407 520 N N 2.356 121.135 118.700 0.132 0.000 2.707 520 N HA -0.260 4.480 4.740 0.000 0.000 0.253 520 N C 0.027 175.602 175.510 0.109 0.000 0.998 520 N CA 1.252 54.364 53.050 0.103 0.000 0.751 520 N CB -1.060 37.480 38.487 0.088 0.000 0.920 520 N HN 0.867 nan 8.380 nan 0.000 0.539 521 E N -3.514 116.747 120.200 0.102 0.000 2.791 521 E HA -0.234 4.116 4.350 0.000 0.000 0.271 521 E C -0.813 175.818 176.600 0.052 0.000 1.044 521 E CA 1.458 57.901 56.400 0.071 0.000 0.814 521 E CB -1.491 28.234 29.700 0.041 0.000 1.400 521 E HN 0.562 nan 8.360 nan 0.000 0.423 522 T N 0.272 114.884 114.554 0.096 0.000 2.824 522 T HA 0.381 4.732 4.350 0.000 0.000 0.282 522 T C -0.111 174.539 174.700 -0.082 0.000 0.993 522 T CA -0.946 61.122 62.100 -0.053 0.000 0.967 522 T CB 1.566 70.351 68.868 -0.137 0.000 0.960 522 T HN -0.014 nan 8.240 nan 0.000 0.441 523 K N 2.439 122.702 120.400 -0.228 0.000 2.315 523 K HA 0.319 4.639 4.320 0.000 0.000 0.291 523 K C -1.023 175.401 176.600 -0.294 0.000 1.074 523 K CA -0.032 56.118 56.287 -0.229 0.000 0.936 523 K CB 0.100 32.332 32.500 -0.447 0.000 1.049 523 K HN 0.429 nan 8.250 nan 0.000 0.471 524 F N 2.441 122.440 119.950 0.083 0.000 2.411 524 F HA 0.297 4.824 4.527 0.000 0.000 0.352 524 F C -0.134 175.717 175.800 0.084 0.000 1.123 524 F CA -0.781 57.273 58.000 0.089 0.000 1.044 524 F CB 0.775 39.878 39.000 0.171 0.000 1.135 524 F HN 0.397 nan 8.300 nan 0.000 0.461 525 W N 4.044 125.440 121.300 0.159 0.000 2.313 525 W HA 0.492 5.152 4.660 0.000 0.000 0.328 525 W C -0.655 176.007 176.519 0.238 0.000 1.197 525 W CA -0.516 56.951 57.345 0.205 0.000 1.235 525 W CB 0.710 30.238 29.460 0.113 0.000 1.158 525 W HN 0.439 nan 8.180 nan 0.000 0.578 526 Y N -0.102 120.491 120.300 0.489 0.000 2.562 526 Y HA 0.599 5.149 4.550 0.000 0.000 0.345 526 Y C -0.840 175.267 175.900 0.346 0.000 1.045 526 Y CA -1.814 56.572 58.100 0.476 0.000 1.028 526 Y CB 1.014 39.913 38.460 0.732 0.000 1.297 526 Y HN 0.584 nan 8.280 nan 0.000 0.463 527 Q N 3.206 123.213 119.800 0.345 0.000 2.351 527 Q HA 0.762 5.102 4.340 0.000 0.000 0.273 527 Q C -1.643 174.460 176.000 0.172 0.000 1.077 527 Q CA -1.221 54.676 55.803 0.157 0.000 0.843 527 Q CB 3.234 32.036 28.738 0.106 0.000 1.367 527 Q HN 0.923 nan 8.270 nan 0.000 0.449 528 M N 2.565 122.191 119.600 0.043 0.000 2.224 528 M HA 0.383 4.863 4.480 0.000 0.000 0.281 528 M C -1.676 174.538 176.300 -0.144 0.000 1.025 528 M CA -0.795 54.470 55.300 -0.058 0.000 0.954 528 M CB 1.983 34.538 32.600 -0.074 0.000 1.639 528 M HN 0.675 nan 8.290 nan 0.000 0.461 529 I N 6.053 126.533 120.570 -0.151 0.000 2.301 529 I HA 0.293 4.463 4.170 0.000 0.000 0.292 529 I C -0.567 175.377 176.117 -0.289 0.000 1.046 529 I CA -0.180 61.006 61.300 -0.191 0.000 1.282 529 I CB -0.000 37.911 38.000 -0.147 0.000 1.409 529 I HN 0.649 nan 8.210 nan 0.000 0.484 530 L N 8.400 129.394 121.223 -0.382 0.000 2.295 530 L HA 0.444 4.784 4.340 0.000 0.000 0.285 530 L C -2.167 174.465 176.870 -0.398 0.000 1.035 530 L CA -1.811 52.678 54.840 -0.584 0.000 0.806 530 L CB 1.414 42.920 42.059 -0.921 0.000 1.214 530 L HN 0.256 nan 8.230 nan 0.000 0.426 531 P HA 0.003 nan 4.420 nan 0.000 0.267 531 P C -2.428 174.808 177.300 -0.107 0.000 1.201 531 P CA -0.689 62.301 63.100 -0.183 0.000 0.775 531 P CB -0.254 31.360 31.700 -0.142 0.000 0.854 532 P HA -0.071 nan 4.420 nan 0.000 0.269 532 P C -0.079 177.212 177.300 -0.015 0.000 1.209 532 P CA 0.683 63.705 63.100 -0.130 0.000 0.776 532 P CB 0.068 31.691 31.700 -0.129 0.000 0.876 533 H N -1.551 117.552 119.070 0.056 0.000 2.862 533 H HA -0.196 4.360 4.556 0.000 0.000 0.290 533 H C 0.177 175.569 175.328 0.107 0.000 1.211 533 H CA 0.142 56.231 56.048 0.068 0.000 1.140 533 H CB -2.325 27.472 29.762 0.058 0.000 1.341 533 H HN 0.414 nan 8.280 nan 0.000 0.392 534 F N 2.727 122.663 119.950 -0.024 0.000 2.623 534 F HA 0.146 4.673 4.527 0.000 0.000 0.383 534 F C 0.525 176.337 175.800 0.019 0.000 1.077 534 F CA 0.205 58.145 58.000 -0.101 0.000 1.268 534 F CB 0.506 39.340 39.000 -0.276 0.000 1.053 534 F HN 0.191 nan 8.300 nan 0.000 0.571 535 D N 5.800 125.867 120.400 -0.554 0.000 2.476 535 D HA 0.159 4.799 4.640 0.000 0.000 0.251 535 D C 0.121 176.099 176.300 -0.536 0.000 1.291 535 D CA -0.592 53.154 54.000 -0.422 0.000 0.939 535 D CB 1.003 41.745 40.800 -0.097 0.000 1.221 535 D HN 0.597 nan 8.370 nan 0.000 0.567 536 K N 1.392 121.422 120.400 -0.618 0.000 2.555 536 K HA -0.028 4.292 4.320 0.000 0.000 0.193 536 K C 0.962 177.558 176.600 -0.006 0.000 1.032 536 K CA 0.344 56.481 56.287 -0.251 0.000 1.004 536 K CB -0.108 32.383 32.500 -0.015 0.000 0.804 536 K HN 0.251 nan 8.250 nan 0.000 0.496 537 S N 0.309 115.968 115.700 -0.069 0.000 2.496 537 S HA 0.047 4.517 4.470 0.000 0.000 0.224 537 S C 0.630 175.193 174.600 -0.062 0.000 0.996 537 S CA -0.135 58.040 58.200 -0.042 0.000 0.927 537 S CB -0.007 63.163 63.200 -0.050 0.000 0.774 537 S HN 0.202 nan 8.310 nan 0.000 0.524 538 K N 1.416 121.752 120.400 -0.106 0.000 2.118 538 K HA 0.339 4.659 4.320 0.000 0.000 0.264 538 K C -0.458 176.043 176.600 -0.166 0.000 1.000 538 K CA -0.480 55.670 56.287 -0.227 0.000 0.929 538 K CB 0.503 32.710 32.500 -0.490 0.000 1.021 538 K HN -0.043 nan 8.250 nan 0.000 0.463 539 K N 3.052 123.327 120.400 -0.208 0.000 2.299 539 K HA 0.198 4.518 4.320 0.000 0.000 0.268 539 K C -0.975 175.535 176.600 -0.150 0.000 1.075 539 K CA -0.295 55.943 56.287 -0.082 0.000 0.936 539 K CB 0.462 32.919 32.500 -0.071 0.000 1.228 539 K HN 0.434 nan 8.250 nan 0.000 0.454 540 Y N 3.495 123.845 120.300 0.082 0.000 2.299 540 Y HA 0.182 4.732 4.550 0.000 0.000 0.326 540 Y C -1.580 174.279 175.900 -0.069 0.000 1.164 540 Y CA -2.033 56.089 58.100 0.036 0.000 1.234 540 Y CB 0.479 39.020 38.460 0.134 0.000 1.219 540 Y HN 0.430 nan 8.280 nan 0.000 0.497 541 P HA 0.119 nan 4.420 nan 0.000 0.271 541 P C -1.015 176.152 177.300 -0.221 0.000 1.218 541 P CA -0.117 62.732 63.100 -0.418 0.000 0.780 541 P CB 1.402 32.505 31.700 -0.996 0.000 0.901 542 L N 2.834 123.964 121.223 -0.155 0.000 2.386 542 L HA 0.528 4.868 4.340 0.000 0.000 0.271 542 L C -1.107 175.952 176.870 0.315 0.000 0.993 542 L CA -1.202 53.695 54.840 0.095 0.000 0.819 542 L CB 1.879 44.011 42.059 0.122 0.000 1.294 542 L HN 0.171 nan 8.230 nan 0.000 0.414 543 L N 5.154 126.578 121.223 0.336 0.000 2.305 543 L HA 0.483 4.823 4.340 0.000 0.000 0.284 543 L C -1.185 175.927 176.870 0.403 0.000 1.013 543 L CA -0.310 54.789 54.840 0.432 0.000 0.819 543 L CB 1.548 43.818 42.059 0.352 0.000 1.227 543 L HN 0.582 nan 8.230 nan 0.000 0.417 544 L N 5.178 126.688 121.223 0.479 0.000 2.295 544 L HA 0.350 4.690 4.340 0.000 0.000 0.288 544 L C -0.442 176.654 176.870 0.376 0.000 1.079 544 L CA 0.254 55.359 54.840 0.442 0.000 0.830 544 L CB 0.290 42.664 42.059 0.524 0.000 1.200 544 L HN 0.609 nan 8.230 nan 0.000 0.438 545 D N 4.338 124.935 120.400 0.327 0.000 2.339 545 D HA 0.198 4.838 4.640 0.000 0.000 0.241 545 D C -0.989 175.391 176.300 0.133 0.000 1.183 545 D CA 0.098 54.208 54.000 0.184 0.000 0.859 545 D CB 1.172 42.149 40.800 0.295 0.000 1.067 545 D HN 0.291 nan 8.370 nan 0.000 0.484 546 V N 5.746 125.671 119.914 0.018 0.000 2.604 546 V HA 0.389 4.509 4.120 0.000 0.000 0.305 546 V C -0.847 175.351 176.094 0.173 0.000 1.043 546 V CA -0.481 61.900 62.300 0.134 0.000 0.888 546 V CB 1.715 33.614 31.823 0.126 0.000 0.995 546 V HN 0.655 nan 8.190 nan 0.000 0.429 547 Y N 5.507 125.884 120.300 0.129 0.000 2.740 547 Y HA 0.516 5.066 4.550 0.000 0.000 0.257 547 Y C 1.706 177.748 175.900 0.237 0.000 1.064 547 Y CA 1.143 59.346 58.100 0.171 0.000 1.351 547 Y CB 0.379 38.923 38.460 0.141 0.000 1.439 547 Y HN 0.951 nan 8.280 nan 0.000 0.488 548 A N 0.851 123.783 122.820 0.186 0.000 2.861 548 A HA -0.198 4.122 4.320 0.000 0.000 0.261 548 A C 0.951 178.391 177.584 -0.240 0.000 1.351 548 A CA 0.851 52.943 52.037 0.093 0.000 0.904 548 A CB -2.510 16.609 19.000 0.199 0.000 1.076 548 A HN 0.836 nan 8.150 nan 0.000 0.729 549 G N -0.907 107.484 108.800 -0.682 0.000 2.667 549 G HA2 0.462 4.422 3.960 0.000 0.000 0.250 549 G HA3 0.462 4.422 3.960 0.000 0.000 0.250 549 G C -2.269 172.318 174.900 -0.521 0.000 1.212 549 G CA -0.653 43.694 45.100 -1.255 0.000 0.874 549 G HN 0.318 nan 8.290 nan 0.000 0.561 550 P HA 0.128 nan 4.420 nan 0.000 0.267 550 P C 0.515 177.668 177.300 -0.245 0.000 1.209 550 P CA 0.011 62.808 63.100 -0.504 0.000 0.763 550 P CB 0.824 31.743 31.700 -1.301 0.000 0.816 551 C N 2.589 121.813 119.300 -0.126 0.000 4.417 551 C HA -0.150 4.310 4.460 0.000 0.000 0.284 551 C C 0.894 175.913 174.990 0.047 0.000 1.379 551 C CA 1.068 59.974 59.018 -0.187 0.000 1.918 551 C CB -2.770 24.683 27.740 -0.478 0.000 1.280 551 C HN 0.781 nan 8.230 nan 0.000 0.783 552 S N 0.113 115.914 115.700 0.169 0.000 2.603 552 S HA 0.526 4.996 4.470 0.000 0.000 0.268 552 S C -0.559 174.233 174.600 0.320 0.000 1.317 552 S CA 0.130 58.531 58.200 0.334 0.000 1.012 552 S CB 1.598 65.071 63.200 0.455 0.000 0.926 552 S HN 0.812 nan 8.310 nan 0.000 0.539 553 Q N 0.233 120.237 119.800 0.339 0.000 2.350 553 Q HA 0.322 4.662 4.340 0.000 0.000 0.255 553 Q C -0.570 175.554 176.000 0.206 0.000 0.951 553 Q CA -0.564 55.413 55.803 0.290 0.000 0.751 553 Q CB 0.880 29.822 28.738 0.339 0.000 1.296 553 Q HN 0.690 nan 8.270 nan 0.000 0.453 554 K N 0.880 121.403 120.400 0.205 0.000 2.358 554 K HA 0.311 4.631 4.320 0.000 0.000 0.197 554 K C -0.333 176.364 176.600 0.162 0.000 1.025 554 K CA 0.229 56.623 56.287 0.178 0.000 1.104 554 K CB 1.391 34.025 32.500 0.224 0.000 0.855 554 K HN 0.461 nan 8.250 nan 0.000 0.531 555 A N 2.722 125.643 122.820 0.168 0.000 2.399 555 A HA 0.410 4.730 4.320 0.000 0.000 0.327 555 A C -0.846 176.794 177.584 0.093 0.000 1.367 555 A CA -0.624 51.509 52.037 0.160 0.000 0.842 555 A CB 0.159 19.308 19.000 0.247 0.000 1.142 555 A HN 0.218 nan 8.150 nan 0.000 0.495 556 D N -0.124 120.308 120.400 0.054 0.000 2.798 556 D HA 0.450 5.090 4.640 0.000 0.000 0.308 556 D C 0.552 176.863 176.300 0.017 0.000 1.187 556 D CA 0.300 54.321 54.000 0.036 0.000 1.033 556 D CB 0.264 41.090 40.800 0.043 0.000 1.445 556 D HN 0.140 nan 8.370 nan 0.000 0.550 557 T N -2.484 112.105 114.554 0.060 0.000 3.163 557 T HA 0.287 4.638 4.350 0.000 0.000 0.252 557 T C 0.421 175.094 174.700 -0.045 0.000 1.056 557 T CA -0.368 61.761 62.100 0.049 0.000 0.947 557 T CB -0.635 68.308 68.868 0.124 0.000 1.016 557 T HN 0.255 nan 8.240 nan 0.000 0.554 558 V N 2.861 122.642 119.914 -0.222 0.000 2.508 558 V HA 0.309 4.430 4.120 0.000 0.000 0.281 558 V C 0.107 176.145 176.094 -0.093 0.000 1.041 558 V CA -1.045 61.082 62.300 -0.288 0.000 1.016 558 V CB -0.214 31.310 31.823 -0.498 0.000 0.984 558 V HN 0.543 nan 8.190 nan 0.000 0.478 559 F N 6.799 126.655 119.950 -0.155 0.000 2.467 559 F HA 0.483 5.010 4.527 0.000 0.000 0.362 559 F C 0.575 176.318 175.800 -0.095 0.000 1.090 559 F CA -0.056 57.877 58.000 -0.112 0.000 1.202 559 F CB 0.216 39.160 39.000 -0.094 0.000 1.113 559 F HN 0.435 nan 8.300 nan 0.000 0.541 560 R N 6.202 126.238 120.500 -0.775 0.000 2.750 560 R HA 0.598 4.938 4.340 0.000 0.000 0.281 560 R C -1.564 174.263 176.300 -0.788 0.000 0.972 560 R CA -1.090 54.670 56.100 -0.567 0.000 0.912 560 R CB 2.039 32.166 30.300 -0.288 0.000 1.187 560 R HN 0.666 nan 8.270 nan 0.000 0.464 561 L N 4.042 125.010 121.223 -0.426 0.000 2.324 561 L HA 0.423 4.763 4.340 0.000 0.000 0.274 561 L C -0.644 176.208 176.870 -0.029 0.000 1.012 561 L CA -0.627 54.032 54.840 -0.301 0.000 0.859 561 L CB 0.687 42.704 42.059 -0.068 0.000 1.224 561 L HN 0.758 nan 8.230 nan 0.000 0.429 562 N N 0.223 118.839 118.700 -0.139 0.000 3.418 562 N HA 0.174 4.914 4.740 0.000 0.000 0.316 562 N C 0.194 175.387 175.510 -0.527 0.000 1.601 562 N CA -0.904 51.983 53.050 -0.271 0.000 0.805 562 N CB 0.146 38.565 38.487 -0.113 0.000 1.873 562 N HN 0.305 nan 8.380 nan 0.000 0.615 563 W N 0.736 121.413 121.300 -1.038 0.000 2.335 563 W HA 0.101 4.761 4.660 0.000 0.000 0.311 563 W C 2.104 178.564 176.519 -0.098 0.000 1.213 563 W CA 3.068 60.055 57.345 -0.598 0.000 1.274 563 W CB -1.056 28.158 29.460 -0.409 0.000 1.148 563 W HN 0.705 nan 8.180 nan 0.000 0.498 564 A N -0.491 122.280 122.820 -0.081 0.000 1.978 564 A HA -0.231 4.089 4.320 0.000 0.000 0.220 564 A C 1.916 179.385 177.584 -0.191 0.000 1.170 564 A CA 2.587 54.519 52.037 -0.175 0.000 0.636 564 A CB -1.299 17.688 19.000 -0.021 0.000 0.810 564 A HN 0.335 nan 8.150 nan 0.000 0.448 565 T N -1.477 112.977 114.554 -0.167 0.000 2.746 565 T HA -0.195 4.155 4.350 0.000 0.000 0.267 565 T C 1.763 176.472 174.700 0.014 0.000 1.039 565 T CA 1.584 63.556 62.100 -0.213 0.000 1.142 565 T CB -0.492 68.055 68.868 -0.535 0.000 0.866 565 T HN 0.712 nan 8.240 nan 0.000 0.444 566 Y N 1.957 122.317 120.300 0.100 0.000 2.163 566 Y HA -0.029 4.521 4.550 0.000 0.000 0.288 566 Y C 2.011 177.898 175.900 -0.020 0.000 1.136 566 Y CA 1.005 59.213 58.100 0.179 0.000 1.147 566 Y CB -0.501 38.061 38.460 0.170 0.000 0.987 566 Y HN 0.061 nan 8.280 nan 0.000 0.509 567 L N 0.485 121.281 121.223 -0.711 0.000 2.079 567 L HA -0.218 4.122 4.340 0.000 0.000 0.210 567 L C 2.827 179.452 176.870 -0.408 0.000 1.081 567 L CA 1.261 55.633 54.840 -0.780 0.000 0.752 567 L CB -0.877 40.758 42.059 -0.707 0.000 0.896 567 L HN 0.439 nan 8.230 nan 0.000 0.433 568 A N -1.327 121.328 122.820 -0.276 0.000 1.898 568 A HA -0.143 4.177 4.320 0.000 0.000 0.214 568 A C 2.510 180.022 177.584 -0.120 0.000 1.183 568 A CA 1.584 53.511 52.037 -0.184 0.000 0.622 568 A CB -0.461 18.425 19.000 -0.190 0.000 0.824 568 A HN 0.318 nan 8.150 nan 0.000 0.444 569 S N -1.062 114.590 115.700 -0.081 0.000 2.357 569 S HA -0.096 4.375 4.470 0.000 0.000 0.221 569 S C 1.976 176.602 174.600 0.043 0.000 1.031 569 S CA 2.188 60.397 58.200 0.014 0.000 0.982 569 S CB -0.345 62.923 63.200 0.112 0.000 0.853 569 S HN 0.572 nan 8.310 nan 0.000 0.458 570 T N 1.305 115.865 114.554 0.010 0.000 2.953 570 T HA 0.180 4.530 4.350 0.000 0.000 0.247 570 T C 1.414 176.096 174.700 -0.030 0.000 1.029 570 T CA 0.504 62.630 62.100 0.043 0.000 1.144 570 T CB -0.174 68.803 68.868 0.181 0.000 0.870 570 T HN 0.289 nan 8.240 nan 0.000 0.446 571 E N 1.375 121.463 120.200 -0.186 0.000 2.489 571 E HA 0.130 4.480 4.350 0.000 0.000 0.193 571 E C -0.041 176.547 176.600 -0.021 0.000 1.057 571 E CA -0.038 56.291 56.400 -0.118 0.000 0.866 571 E CB -0.415 29.144 29.700 -0.235 0.000 0.916 571 E HN 0.529 nan 8.360 nan 0.000 0.500 572 N N 0.450 119.144 118.700 -0.010 0.000 2.740 572 N HA -0.196 4.544 4.740 0.000 0.000 0.248 572 N C -0.914 174.663 175.510 0.113 0.000 1.062 572 N CA 0.293 53.395 53.050 0.088 0.000 0.704 572 N CB -1.305 37.300 38.487 0.197 0.000 0.968 572 N HN 0.199 nan 8.380 nan 0.000 0.547 573 I N 0.876 121.443 120.570 -0.004 0.000 2.354 573 I HA 0.324 4.494 4.170 0.000 0.000 0.292 573 I C 0.618 176.697 176.117 -0.064 0.000 0.989 573 I CA -0.780 60.526 61.300 0.009 0.000 1.188 573 I CB 1.175 39.202 38.000 0.044 0.000 1.342 573 I HN 0.051 nan 8.210 nan 0.000 0.457 574 I N 6.758 127.298 120.570 -0.050 0.000 2.471 574 I HA 0.108 4.278 4.170 0.000 0.000 0.286 574 I C -0.056 176.044 176.117 -0.029 0.000 1.079 574 I CA -0.058 61.175 61.300 -0.112 0.000 1.398 574 I CB 1.074 39.017 38.000 -0.097 0.000 1.403 574 I HN 0.284 nan 8.210 nan 0.000 0.530 575 V N 7.447 127.329 119.914 -0.053 0.000 2.378 575 V HA 0.816 4.936 4.120 0.000 0.000 0.288 575 V C -0.052 176.059 176.094 0.029 0.000 1.016 575 V CA -0.120 62.202 62.300 0.036 0.000 0.840 575 V CB 1.217 33.059 31.823 0.033 0.000 0.994 575 V HN 0.812 nan 8.190 nan 0.000 0.431 576 A N 4.941 127.806 122.820 0.075 0.000 2.354 576 A HA 0.974 5.294 4.320 0.000 0.000 0.321 576 A C -0.227 177.489 177.584 0.220 0.000 1.125 576 A CA -0.594 51.467 52.037 0.040 0.000 0.799 576 A CB 2.087 20.920 19.000 -0.280 0.000 1.293 576 A HN 0.965 nan 8.150 nan 0.000 0.452 577 S N -0.470 115.405 115.700 0.292 0.000 2.549 577 S HA 0.738 5.208 4.470 0.000 0.000 0.280 577 S C -1.539 173.410 174.600 0.582 0.000 1.109 577 S CA -0.289 58.145 58.200 0.391 0.000 0.905 577 S CB 1.344 64.715 63.200 0.285 0.000 1.081 577 S HN 0.755 nan 8.310 nan 0.000 0.477 578 F N 1.871 122.067 119.950 0.410 0.000 2.557 578 F HA 0.441 4.968 4.527 0.000 0.000 0.316 578 F C -1.436 174.586 175.800 0.371 0.000 1.141 578 F CA -0.702 57.570 58.000 0.453 0.000 0.922 578 F CB 1.364 40.617 39.000 0.421 0.000 1.194 578 F HN 0.388 nan 8.300 nan 0.000 0.443 579 D N 4.775 125.038 120.400 -0.227 0.000 2.411 579 D HA 0.358 4.998 4.640 0.000 0.000 0.225 579 D C 0.379 176.485 176.300 -0.323 0.000 1.156 579 D CA 0.224 54.168 54.000 -0.094 0.000 0.874 579 D CB 1.429 42.281 40.800 0.087 0.000 1.034 579 D HN 0.752 nan 8.370 nan 0.000 0.502 580 G N 1.386 110.193 108.800 0.012 0.000 2.702 580 G HA2 0.309 4.269 3.960 0.000 0.000 0.254 580 G HA3 0.309 4.269 3.960 0.000 0.000 0.254 580 G C 0.002 175.107 174.900 0.341 0.000 1.380 580 G CA -0.805 44.434 45.100 0.231 0.000 1.042 580 G HN 0.297 nan 8.290 nan 0.000 0.557 581 R N -0.510 120.179 120.500 0.315 0.000 2.484 581 R HA 0.375 4.715 4.340 0.000 0.000 0.293 581 R C 1.153 177.591 176.300 0.230 0.000 1.023 581 R CA 1.535 57.820 56.100 0.308 0.000 1.037 581 R CB 0.419 30.856 30.300 0.228 0.000 0.951 581 R HN 1.030 nan 8.270 nan 0.000 0.418 582 G N 1.409 110.311 108.800 0.170 0.000 2.278 582 G HA2 -0.301 3.659 3.960 0.000 0.000 0.210 582 G HA3 -0.301 3.659 3.960 0.000 0.000 0.210 582 G C 0.170 175.104 174.900 0.056 0.000 1.000 582 G CA 0.011 45.180 45.100 0.114 0.000 0.635 582 G HN 0.702 nan 8.290 nan 0.000 0.495 583 S N 0.354 116.107 115.700 0.088 0.000 2.596 583 S HA 0.663 5.133 4.470 0.000 0.000 0.260 583 S C 0.858 175.444 174.600 -0.023 0.000 1.336 583 S CA 0.573 58.816 58.200 0.072 0.000 0.993 583 S CB 1.666 64.947 63.200 0.135 0.000 0.923 583 S HN 1.680 nan 8.310 nan 0.000 0.567 584 G N -1.299 107.460 108.800 -0.068 0.000 2.705 584 G HA2 0.516 4.476 3.960 0.000 0.000 0.299 584 G HA3 0.516 4.476 3.960 0.000 0.000 0.299 584 G C -1.001 173.771 174.900 -0.213 0.000 1.315 584 G CA -1.122 43.759 45.100 -0.365 0.000 1.045 584 G HN 1.015 nan 8.290 nan 0.000 0.517 585 Y N -2.209 118.070 120.300 -0.036 0.000 4.177 585 Y HA -0.224 4.327 4.550 0.000 0.000 0.227 585 Y C 1.233 177.123 175.900 -0.017 0.000 1.154 585 Y CA 0.988 59.076 58.100 -0.020 0.000 1.887 585 Y CB -2.036 36.431 38.460 0.012 0.000 1.594 585 Y HN 0.508 nan 8.280 nan 0.000 0.668 586 Q N -0.205 119.590 119.800 -0.008 0.000 2.064 586 Q HA 0.474 4.814 4.340 0.000 0.000 0.213 586 Q C 0.847 176.715 176.000 -0.220 0.000 0.779 586 Q CA 0.174 55.979 55.803 0.004 0.000 1.032 586 Q CB 1.868 30.598 28.738 -0.014 0.000 1.203 586 Q HN 0.624 nan 8.270 nan 0.000 0.457 587 G N 0.714 109.255 108.800 -0.431 0.000 2.662 587 G HA2 -0.175 3.785 3.960 0.000 0.000 0.686 587 G HA3 -0.175 3.785 3.960 0.000 0.000 0.686 587 G C -0.528 173.995 174.900 -0.627 0.000 1.271 587 G CA -0.512 44.080 45.100 -0.847 0.000 0.816 587 G HN 0.088 nan 8.290 nan 0.000 0.608 588 D N -0.064 119.942 120.400 -0.657 0.000 2.312 588 D HA -0.032 4.608 4.640 0.000 0.000 0.211 588 D C 2.223 178.240 176.300 -0.472 0.000 0.964 588 D CA 1.259 54.825 54.000 -0.723 0.000 0.877 588 D CB 0.105 40.504 40.800 -0.669 0.000 0.924 588 D HN 0.493 nan 8.370 nan 0.000 0.515 589 K N 1.108 121.285 120.400 -0.372 0.000 2.032 589 K HA -0.097 4.223 4.320 0.000 0.000 0.209 589 K C 1.864 178.363 176.600 -0.169 0.000 1.048 589 K CA 1.133 57.283 56.287 -0.228 0.000 0.927 589 K CB -0.358 32.011 32.500 -0.219 0.000 0.712 589 K HN 0.134 nan 8.250 nan 0.000 0.441 590 I N -0.275 120.175 120.570 -0.201 0.000 2.400 590 I HA -0.112 4.058 4.170 0.000 0.000 0.248 590 I C 2.593 178.664 176.117 -0.077 0.000 1.109 590 I CA 0.972 62.217 61.300 -0.093 0.000 1.425 590 I CB -0.177 37.762 38.000 -0.102 0.000 1.094 590 I HN 0.251 nan 8.210 nan 0.000 0.425 591 M N 0.135 119.602 119.600 -0.222 0.000 2.175 591 M HA -0.184 4.296 4.480 0.000 0.000 0.264 591 M C 1.867 178.111 176.300 -0.093 0.000 1.063 591 M CA 1.762 56.931 55.300 -0.218 0.000 1.119 591 M CB -0.136 32.199 32.600 -0.442 0.000 1.377 591 M HN 0.256 nan 8.290 nan 0.000 0.415 592 H N -0.517 118.430 119.070 -0.205 0.000 2.539 592 H HA 0.283 4.839 4.556 0.000 0.000 0.267 592 H C 1.823 177.161 175.328 0.017 0.000 0.982 592 H CA 0.668 56.618 56.048 -0.164 0.000 1.146 592 H CB -0.398 29.185 29.762 -0.298 0.000 1.382 592 H HN 0.449 nan 8.280 nan 0.000 0.577 593 A N 1.305 124.206 122.820 0.136 0.000 2.076 593 A HA -0.132 4.189 4.320 0.000 0.000 0.220 593 A C 1.766 179.536 177.584 0.309 0.000 1.160 593 A CA 1.467 53.586 52.037 0.137 0.000 0.653 593 A CB -0.632 18.404 19.000 0.060 0.000 0.801 593 A HN 0.374 nan 8.150 nan 0.000 0.455 594 I N -3.041 117.710 120.570 0.302 0.000 3.914 594 I HA 0.219 4.389 4.170 0.000 0.000 0.333 594 I C 0.212 176.436 176.117 0.178 0.000 1.449 594 I CA -0.808 60.651 61.300 0.265 0.000 1.135 594 I CB -0.811 37.314 38.000 0.208 0.000 1.073 594 I HN 0.196 nan 8.210 nan 0.000 0.401 595 N N 2.814 121.662 118.700 0.247 0.000 2.412 595 N HA -0.025 4.715 4.740 0.000 0.000 0.258 595 N C 0.242 175.789 175.510 0.061 0.000 1.236 595 N CA 0.157 53.345 53.050 0.230 0.000 0.882 595 N CB 0.292 38.898 38.487 0.199 0.000 1.066 595 N HN 0.345 nan 8.380 nan 0.000 0.465 596 R N 0.592 121.093 120.500 0.002 0.000 4.016 596 R HA -0.161 4.179 4.340 0.000 0.000 0.385 596 R C -0.281 175.867 176.300 -0.252 0.000 1.158 596 R CA 0.872 56.918 56.100 -0.089 0.000 1.117 596 R CB -0.781 29.495 30.300 -0.041 0.000 1.635 596 R HN 0.642 nan 8.270 nan 0.000 0.560 597 R N 0.424 120.770 120.500 -0.256 0.000 2.688 597 R HA 0.206 4.547 4.340 0.000 0.000 0.396 597 R C -0.660 175.534 176.300 -0.177 0.000 1.081 597 R CA -0.670 55.136 56.100 -0.489 0.000 1.093 597 R CB 0.348 30.424 30.300 -0.373 0.000 1.338 597 R HN -0.084 nan 8.270 nan 0.000 0.613 598 L N 0.477 121.655 121.223 -0.075 0.000 2.514 598 L HA 0.138 4.478 4.340 0.000 0.000 0.280 598 L C 1.476 178.568 176.870 0.370 0.000 1.223 598 L CA 1.672 56.553 54.840 0.069 0.000 0.864 598 L CB 0.259 42.127 42.059 -0.317 0.000 1.118 598 L HN 0.772 nan 8.230 nan 0.000 0.494 599 G N 1.141 110.200 108.800 0.431 0.000 2.160 599 G HA2 -0.297 3.663 3.960 0.000 0.000 0.244 599 G HA3 -0.297 3.663 3.960 0.000 0.000 0.244 599 G C 0.529 175.518 174.900 0.148 0.000 1.022 599 G CA 0.910 46.227 45.100 0.362 0.000 0.741 599 G HN 0.943 nan 8.290 nan 0.000 0.508 600 T N -3.584 110.999 114.554 0.049 0.000 2.995 600 T HA 0.474 4.824 4.350 0.000 0.000 0.170 600 T C 1.642 176.269 174.700 -0.123 0.000 0.844 600 T CA 0.884 62.882 62.100 -0.170 0.000 1.137 600 T CB -0.034 68.522 68.868 -0.519 0.000 2.193 600 T HN 0.180 nan 8.240 nan 0.000 0.384 601 F N 3.422 123.421 119.950 0.083 0.000 2.161 601 F HA 0.044 4.571 4.527 0.000 0.000 0.300 601 F C 2.816 178.666 175.800 0.082 0.000 1.089 601 F CA 1.348 59.388 58.000 0.066 0.000 1.282 601 F CB -0.679 38.360 39.000 0.065 0.000 1.010 601 F HN 0.526 nan 8.300 nan 0.000 0.485 602 E N 0.891 121.252 120.200 0.268 0.000 2.204 602 E HA -0.118 4.232 4.350 0.000 0.000 0.194 602 E C 2.098 178.810 176.600 0.186 0.000 0.989 602 E CA 1.387 57.927 56.400 0.233 0.000 0.824 602 E CB -0.950 28.888 29.700 0.231 0.000 0.756 602 E HN 0.307 nan 8.360 nan 0.000 0.477 603 V N 1.733 121.724 119.914 0.130 0.000 2.255 603 V HA -0.222 3.898 4.120 0.000 0.000 0.243 603 V C 2.405 178.524 176.094 0.042 0.000 1.038 603 V CA 2.175 64.502 62.300 0.046 0.000 1.008 603 V CB -0.651 31.157 31.823 -0.026 0.000 0.645 603 V HN 0.209 nan 8.190 nan 0.000 0.449 604 E N 0.221 120.455 120.200 0.056 0.000 2.070 604 E HA -0.272 4.078 4.350 0.000 0.000 0.197 604 E C 1.955 178.570 176.600 0.025 0.000 1.004 604 E CA 1.683 58.112 56.400 0.048 0.000 0.805 604 E CB -0.259 29.496 29.700 0.092 0.000 0.744 604 E HN 0.571 nan 8.360 nan 0.000 0.451 605 D N 0.230 120.668 120.400 0.063 0.000 2.221 605 D HA -0.150 4.490 4.640 0.000 0.000 0.204 605 D C 1.950 178.206 176.300 -0.073 0.000 0.982 605 D CA 0.803 54.809 54.000 0.010 0.000 0.857 605 D CB -0.089 40.801 40.800 0.150 0.000 0.934 605 D HN 0.165 nan 8.370 nan 0.000 0.475 606 Q N 0.076 119.906 119.800 0.049 0.000 2.083 606 Q HA -0.003 4.337 4.340 0.000 0.000 0.198 606 Q C 2.616 178.635 176.000 0.031 0.000 0.969 606 Q CA 0.408 56.245 55.803 0.058 0.000 0.838 606 Q CB -0.137 28.675 28.738 0.124 0.000 0.900 606 Q HN 0.413 nan 8.270 nan 0.000 0.436 607 I N 0.903 121.510 120.570 0.062 0.000 2.142 607 I HA -0.276 3.894 4.170 0.000 0.000 0.240 607 I C 2.397 178.463 176.117 -0.084 0.000 1.078 607 I CA 1.385 62.769 61.300 0.139 0.000 1.343 607 I CB -0.243 37.821 38.000 0.107 0.000 1.046 607 I HN 0.146 nan 8.210 nan 0.000 0.405 608 E N 1.354 121.442 120.200 -0.187 0.000 2.153 608 E HA -0.181 4.169 4.350 0.000 0.000 0.194 608 E C 2.051 178.328 176.600 -0.537 0.000 0.988 608 E CA 1.435 57.655 56.400 -0.300 0.000 0.811 608 E CB -0.159 29.386 29.700 -0.257 0.000 0.746 608 E HN 0.426 nan 8.360 nan 0.000 0.466 609 A N 0.917 123.274 122.820 -0.771 0.000 1.883 609 A HA -0.112 4.208 4.320 0.000 0.000 0.217 609 A C 2.486 179.304 177.584 -1.277 0.000 1.186 609 A CA 2.293 53.550 52.037 -1.300 0.000 0.624 609 A CB -1.182 16.973 19.000 -1.408 0.000 0.822 609 A HN 0.396 nan 8.150 nan 0.000 0.444 610 A N -0.516 121.946 122.820 -0.597 0.000 1.933 610 A HA -0.171 4.149 4.320 0.000 0.000 0.218 610 A C 2.237 179.600 177.584 -0.368 0.000 1.175 610 A CA 1.538 53.379 52.037 -0.327 0.000 0.628 610 A CB -0.462 18.390 19.000 -0.247 0.000 0.814 610 A HN 0.557 nan 8.150 nan 0.000 0.444 611 R N -0.867 119.403 120.500 -0.384 0.000 2.115 611 R HA -0.079 4.261 4.340 0.000 0.000 0.230 611 R C 2.271 178.382 176.300 -0.315 0.000 1.111 611 R CA 1.175 57.095 56.100 -0.300 0.000 0.976 611 R CB -0.180 29.974 30.300 -0.243 0.000 0.870 611 R HN 0.584 nan 8.270 nan 0.000 0.445 612 Q N -0.252 119.270 119.800 -0.463 0.000 2.083 612 Q HA -0.093 4.247 4.340 0.000 0.000 0.198 612 Q C 1.960 177.777 176.000 -0.304 0.000 0.969 612 Q CA 1.253 56.806 55.803 -0.417 0.000 0.838 612 Q CB -0.094 28.317 28.738 -0.545 0.000 0.900 612 Q HN 0.273 nan 8.270 nan 0.000 0.436 613 F N 1.443 121.225 119.950 -0.280 0.000 2.134 613 F HA -0.146 4.381 4.527 0.000 0.000 0.299 613 F C 2.695 178.295 175.800 -0.333 0.000 1.097 613 F CA 1.236 59.062 58.000 -0.289 0.000 1.264 613 F CB -1.322 37.568 39.000 -0.183 0.000 1.001 613 F HN 0.053 nan 8.300 nan 0.000 0.479 614 S N -0.209 115.430 115.700 -0.102 0.000 2.382 614 S HA -0.143 4.327 4.470 0.000 0.000 0.228 614 S C 1.774 176.257 174.600 -0.194 0.000 1.027 614 S CA 0.800 58.907 58.200 -0.155 0.000 0.991 614 S CB -0.404 62.710 63.200 -0.143 0.000 0.823 614 S HN 0.206 nan 8.310 nan 0.000 0.469 615 K N 0.991 121.280 120.400 -0.186 0.000 2.504 615 K HA 0.252 4.572 4.320 0.000 0.000 0.195 615 K C 1.621 178.113 176.600 -0.180 0.000 1.036 615 K CA 0.429 56.619 56.287 -0.162 0.000 0.984 615 K CB -0.443 31.974 32.500 -0.138 0.000 0.788 615 K HN 0.508 nan 8.250 nan 0.000 0.488 616 M N -0.913 118.520 119.600 -0.278 0.000 2.419 616 M HA -0.020 4.460 4.480 0.000 0.000 0.264 616 M C 1.138 177.186 176.300 -0.419 0.000 1.082 616 M CA 1.144 56.230 55.300 -0.357 0.000 1.119 616 M CB 0.142 32.416 32.600 -0.543 0.000 1.398 616 M HN 0.391 nan 8.290 nan 0.000 0.453 617 G N 0.432 108.986 108.800 -0.410 0.000 2.194 617 G HA2 -0.273 3.688 3.960 0.000 0.000 0.236 617 G HA3 -0.273 3.688 3.960 0.000 0.000 0.236 617 G C 0.451 175.296 174.900 -0.090 0.000 0.987 617 G CA 0.208 45.189 45.100 -0.198 0.000 0.635 617 G HN 0.606 nan 8.290 nan 0.000 0.520 618 F N 0.188 120.201 119.950 0.106 0.000 2.647 618 F HA 0.761 5.288 4.527 0.000 0.000 0.300 618 F C 0.216 176.132 175.800 0.194 0.000 1.106 618 F CA -0.940 57.163 58.000 0.172 0.000 1.313 618 F CB 0.396 39.581 39.000 0.307 0.000 1.007 618 F HN 0.045 nan 8.300 nan 0.000 0.536 619 V N 1.589 121.545 119.914 0.070 0.000 2.398 619 V HA 0.176 4.296 4.120 0.000 0.000 0.286 619 V C -0.663 175.430 176.094 -0.003 0.000 1.026 619 V CA -0.743 61.602 62.300 0.076 0.000 0.868 619 V CB 1.507 33.326 31.823 -0.006 0.000 0.982 619 V HN 0.114 nan 8.190 nan 0.000 0.443 620 D N 3.792 124.182 120.400 -0.017 0.000 2.374 620 D HA 0.070 4.710 4.640 0.000 0.000 0.240 620 D C 1.013 177.264 176.300 -0.082 0.000 1.229 620 D CA -0.295 53.665 54.000 -0.068 0.000 0.895 620 D CB 0.623 41.362 40.800 -0.101 0.000 1.046 620 D HN 0.646 nan 8.370 nan 0.000 0.498 621 N N 2.994 121.648 118.700 -0.077 0.000 2.521 621 N HA -0.087 4.653 4.740 0.000 0.000 0.188 621 N C 1.000 176.467 175.510 -0.071 0.000 1.146 621 N CA 0.336 53.332 53.050 -0.089 0.000 0.893 621 N CB 0.004 38.427 38.487 -0.107 0.000 0.975 621 N HN 0.319 nan 8.380 nan 0.000 0.451 622 K N 0.117 120.485 120.400 -0.054 0.000 2.288 622 K HA 0.115 4.435 4.320 0.000 0.000 0.201 622 K C 0.308 176.912 176.600 0.006 0.000 1.048 622 K CA 0.602 56.874 56.287 -0.024 0.000 0.956 622 K CB 0.185 32.672 32.500 -0.022 0.000 0.746 622 K HN 0.183 nan 8.250 nan 0.000 0.461 623 R N 1.080 121.554 120.500 -0.043 0.000 2.835 623 R HA 0.325 4.665 4.340 0.000 0.000 0.290 623 R C -0.965 175.280 176.300 -0.092 0.000 1.410 623 R CA -0.139 55.926 56.100 -0.058 0.000 1.590 623 R CB 0.535 30.648 30.300 -0.312 0.000 1.288 623 R HN 0.013 nan 8.270 nan 0.000 0.637 624 I N 0.972 121.612 120.570 0.117 0.000 2.378 624 I HA 0.538 4.708 4.170 0.000 0.000 0.291 624 I C 0.138 176.545 176.117 0.484 0.000 0.992 624 I CA -0.719 60.701 61.300 0.199 0.000 1.154 624 I CB 1.866 39.830 38.000 -0.061 0.000 1.315 624 I HN 0.252 nan 8.210 nan 0.000 0.448 625 A N 6.987 130.210 122.820 0.672 0.000 2.387 625 A HA 0.921 5.241 4.320 0.000 0.000 0.303 625 A C -1.098 176.867 177.584 0.635 0.000 1.145 625 A CA -0.661 51.748 52.037 0.620 0.000 0.801 625 A CB 2.019 21.256 19.000 0.394 0.000 1.342 625 A HN 0.737 nan 8.150 nan 0.000 0.440 626 I N 0.553 121.402 120.570 0.464 0.000 2.656 626 I HA 0.694 4.864 4.170 0.000 0.000 0.292 626 I C -1.910 174.457 176.117 0.416 0.000 1.144 626 I CA -0.566 60.931 61.300 0.328 0.000 1.038 626 I CB 1.581 39.488 38.000 -0.155 0.000 1.244 626 I HN 0.917 nan 8.210 nan 0.000 0.420 627 W N 7.184 128.615 121.300 0.218 0.000 3.167 627 W HA 0.859 5.519 4.660 0.000 0.000 0.324 627 W C -1.448 175.225 176.519 0.256 0.000 1.230 627 W CA -1.085 56.400 57.345 0.233 0.000 1.184 627 W CB 1.134 30.783 29.460 0.315 0.000 1.414 627 W HN 0.809 nan 8.180 nan 0.000 0.551 628 G N 1.114 109.857 108.800 -0.094 0.000 2.646 628 G HA2 0.508 4.468 3.960 0.000 0.000 0.291 628 G HA3 0.508 4.468 3.960 0.000 0.000 0.291 628 G C -2.752 172.141 174.900 -0.011 0.000 1.445 628 G CA -0.700 44.218 45.100 -0.304 0.000 0.814 628 G HN 0.598 nan 8.290 nan 0.000 0.495 629 W N 0.830 122.056 121.300 -0.122 0.000 2.761 629 W HA 0.576 5.236 4.660 0.000 0.000 0.340 629 W C 0.795 177.405 176.519 0.151 0.000 1.072 629 W CA 0.401 57.757 57.345 0.017 0.000 1.215 629 W CB 1.713 31.183 29.460 0.017 0.000 1.420 629 W HN 1.071 nan 8.180 nan 0.000 0.519 630 S N 1.676 117.694 115.700 0.529 0.000 4.116 630 S HA -0.429 4.042 4.470 0.000 0.000 0.623 630 S C 0.863 175.628 174.600 0.275 0.000 1.933 630 S CA 1.628 60.151 58.200 0.537 0.000 4.224 630 S CB -1.591 62.067 63.200 0.762 0.000 0.208 630 S HN 0.762 nan 8.310 nan 0.000 0.527 631 Y N 2.910 123.277 120.300 0.112 0.000 2.207 631 Y HA -0.045 4.506 4.550 0.000 0.000 0.287 631 Y C 2.484 178.360 175.900 -0.040 0.000 1.156 631 Y CA 2.181 60.245 58.100 -0.060 0.000 1.182 631 Y CB -0.958 37.262 38.460 -0.401 0.000 0.979 631 Y HN 0.565 nan 8.280 nan 0.000 0.521 632 G N -0.778 108.114 108.800 0.152 0.000 2.442 632 G HA2 -0.277 3.683 3.960 0.000 0.000 0.219 632 G HA3 -0.277 3.683 3.960 0.000 0.000 0.219 632 G C 1.868 176.826 174.900 0.095 0.000 1.141 632 G CA 0.812 46.003 45.100 0.152 0.000 0.763 632 G HN 0.571 nan 8.290 nan 0.000 0.554 633 G N -0.199 108.669 108.800 0.112 0.000 2.422 633 G HA2 -0.239 3.721 3.960 0.000 0.000 0.218 633 G HA3 -0.239 3.721 3.960 0.000 0.000 0.218 633 G C 1.598 176.530 174.900 0.053 0.000 1.146 633 G CA 1.086 46.226 45.100 0.066 0.000 0.769 633 G HN 0.508 nan 8.290 nan 0.000 0.547 634 Y N 0.930 121.157 120.300 -0.122 0.000 2.145 634 Y HA -0.112 4.438 4.550 0.000 0.000 0.286 634 Y C 2.746 178.560 175.900 -0.142 0.000 1.145 634 Y CA 1.741 59.711 58.100 -0.217 0.000 1.148 634 Y CB -0.180 37.997 38.460 -0.471 0.000 0.981 634 Y HN 0.028 nan 8.280 nan 0.000 0.507 635 V N -0.060 119.694 119.914 -0.267 0.000 2.358 635 V HA -0.293 3.827 4.120 0.000 0.000 0.246 635 V C 2.297 178.261 176.094 -0.216 0.000 1.047 635 V CA 2.342 64.480 62.300 -0.270 0.000 1.035 635 V CB -1.024 30.811 31.823 0.021 0.000 0.658 635 V HN 0.513 nan 8.190 nan 0.000 0.452 636 T N 0.085 114.574 114.554 -0.108 0.000 2.665 636 T HA -0.218 4.132 4.350 0.000 0.000 0.268 636 T C 2.133 176.765 174.700 -0.113 0.000 1.035 636 T CA 2.120 64.168 62.100 -0.086 0.000 1.151 636 T CB -0.294 68.605 68.868 0.051 0.000 0.862 636 T HN 0.541 nan 8.240 nan 0.000 0.438 637 S N 1.156 116.825 115.700 -0.051 0.000 2.356 637 S HA -0.049 4.421 4.470 0.000 0.000 0.223 637 S C 2.162 176.659 174.600 -0.171 0.000 1.032 637 S CA 1.005 59.208 58.200 0.004 0.000 1.005 637 S CB -0.326 62.933 63.200 0.098 0.000 0.867 637 S HN 0.304 nan 8.310 nan 0.000 0.449 638 M N 1.049 120.454 119.600 -0.325 0.000 2.108 638 M HA -0.054 4.426 4.480 0.000 0.000 0.261 638 M C 2.254 178.371 176.300 -0.304 0.000 1.066 638 M CA 1.139 56.225 55.300 -0.356 0.000 1.107 638 M CB -1.516 30.768 32.600 -0.526 0.000 1.356 638 M HN 0.180 nan 8.290 nan 0.000 0.406 639 V N 0.517 120.246 119.914 -0.308 0.000 2.295 639 V HA -0.241 3.879 4.120 0.000 0.000 0.246 639 V C 2.500 178.373 176.094 -0.369 0.000 1.049 639 V CA 1.409 63.522 62.300 -0.312 0.000 1.024 639 V CB -0.620 30.953 31.823 -0.416 0.000 0.648 639 V HN 0.409 nan 8.190 nan 0.000 0.447 640 L N 0.306 121.248 121.223 -0.468 0.000 2.265 640 L HA -0.048 4.292 4.340 0.000 0.000 0.215 640 L C 2.106 178.385 176.870 -0.986 0.000 1.117 640 L CA 1.345 55.813 54.840 -0.620 0.000 0.782 640 L CB -0.573 41.116 42.059 -0.617 0.000 0.914 640 L HN 0.486 nan 8.230 nan 0.000 0.441 641 G N -1.696 106.567 108.800 -0.897 0.000 3.233 641 G HA2 -0.032 3.928 3.960 0.000 0.000 0.234 641 G HA3 -0.032 3.928 3.960 0.000 0.000 0.234 641 G C 1.481 176.187 174.900 -0.322 0.000 1.137 641 G CA 0.548 45.211 45.100 -0.728 0.000 0.763 641 G HN 0.395 nan 8.290 nan 0.000 0.549 642 S N -0.383 115.159 115.700 -0.264 0.000 2.436 642 S HA 0.276 4.746 4.470 0.000 0.000 0.228 642 S C 1.990 176.529 174.600 -0.101 0.000 1.014 642 S CA 1.201 59.315 58.200 -0.144 0.000 0.950 642 S CB -0.208 62.929 63.200 -0.106 0.000 0.784 642 S HN 1.410 nan 8.310 nan 0.000 0.504 643 G N 1.077 109.810 108.800 -0.112 0.000 2.136 643 G HA2 -0.314 3.646 3.960 0.000 0.000 0.242 643 G HA3 -0.314 3.646 3.960 0.000 0.000 0.242 643 G C 0.911 175.792 174.900 -0.032 0.000 0.989 643 G CA 0.891 45.950 45.100 -0.067 0.000 0.682 643 G HN 1.317 nan 8.290 nan 0.000 0.522 644 S N -0.637 115.056 115.700 -0.012 0.000 2.453 644 S HA 0.335 4.805 4.470 0.000 0.000 0.231 644 S C 2.474 177.075 174.600 0.001 0.000 1.005 644 S CA 1.540 59.743 58.200 0.005 0.000 0.949 644 S CB -0.115 63.108 63.200 0.039 0.000 0.774 644 S HN 2.379 nan 8.310 nan 0.000 0.510 645 G N 0.240 109.051 108.800 0.017 0.000 2.189 645 G HA2 -0.295 3.665 3.960 0.000 0.000 0.267 645 G HA3 -0.295 3.665 3.960 0.000 0.000 0.267 645 G C 0.736 175.622 174.900 -0.024 0.000 0.975 645 G CA 0.414 45.517 45.100 0.005 0.000 0.644 645 G HN 0.651 nan 8.290 nan 0.000 0.537 646 V N -0.658 119.221 119.914 -0.058 0.000 2.548 646 V HA 0.233 4.353 4.120 0.000 0.000 0.249 646 V C 1.203 177.073 176.094 -0.374 0.000 1.055 646 V CA 1.504 63.634 62.300 -0.284 0.000 1.065 646 V CB -0.339 31.183 31.823 -0.501 0.000 0.681 646 V HN 0.318 nan 8.190 nan 0.000 0.462 647 F N -0.129 119.835 119.950 0.024 0.000 2.436 647 F HA 0.399 4.926 4.527 0.000 0.000 0.340 647 F C 1.073 176.921 175.800 0.081 0.000 1.113 647 F CA -0.489 57.554 58.000 0.072 0.000 1.022 647 F CB 1.443 40.484 39.000 0.069 0.000 1.128 647 F HN -0.255 nan 8.300 nan 0.000 0.466 648 K N 1.725 122.296 120.400 0.286 0.000 2.098 648 K HA 0.097 4.417 4.320 0.000 0.000 0.203 648 K C 0.053 176.794 176.600 0.234 0.000 1.051 648 K CA 0.947 57.364 56.287 0.216 0.000 0.957 648 K CB 0.276 32.904 32.500 0.214 0.000 0.738 648 K HN 0.815 nan 8.250 nan 0.000 0.447 649 c N -3.066 115.714 118.600 0.299 0.000 3.336 649 c HA 0.917 5.487 4.570 0.000 0.000 0.339 649 c C -0.205 174.123 174.090 0.397 0.000 1.468 649 c CA -0.416 56.112 56.329 0.332 0.000 1.287 649 c CB 1.105 43.748 42.510 0.222 0.000 1.682 649 c HN 0.410 nan 8.230 nan 0.000 0.451 650 G N -0.227 108.876 108.800 0.505 0.000 2.387 650 G HA2 0.621 4.581 3.960 0.000 0.000 0.294 650 G HA3 0.621 4.581 3.960 0.000 0.000 0.294 650 G C -2.162 172.957 174.900 0.366 0.000 1.509 650 G CA -0.649 44.712 45.100 0.434 0.000 0.806 650 G HN 1.067 nan 8.290 nan 0.000 0.546 651 I N 0.628 121.382 120.570 0.306 0.000 2.466 651 I HA 0.634 4.804 4.170 0.000 0.000 0.289 651 I C 0.279 176.513 176.117 0.194 0.000 1.026 651 I CA -0.943 60.420 61.300 0.105 0.000 1.078 651 I CB 2.258 40.287 38.000 0.050 0.000 1.249 651 I HN 0.729 nan 8.210 nan 0.000 0.429 652 A N 6.393 129.237 122.820 0.040 0.000 2.288 652 A HA 0.796 5.116 4.320 0.000 0.000 0.320 652 A C -0.657 176.845 177.584 -0.137 0.000 1.217 652 A CA -0.520 51.542 52.037 0.040 0.000 0.840 652 A CB 1.010 20.096 19.000 0.143 0.000 1.179 652 A HN 0.453 nan 8.150 nan 0.000 0.504 653 V N 2.166 121.955 119.914 -0.208 0.000 2.384 653 V HA 0.559 4.679 4.120 0.000 0.000 0.287 653 V C 0.938 176.647 176.094 -0.643 0.000 1.020 653 V CA 0.192 62.146 62.300 -0.577 0.000 0.850 653 V CB 0.760 31.953 31.823 -1.050 0.000 0.987 653 V HN 2.011 nan 8.190 nan 0.000 0.436 654 A N 5.900 128.300 122.820 -0.700 0.000 2.261 654 A HA -0.111 4.210 4.320 0.000 0.000 0.282 654 A C -1.744 175.721 177.584 -0.197 0.000 1.403 654 A CA 0.313 51.869 52.037 -0.801 0.000 0.753 654 A CB -1.471 17.140 19.000 -0.648 0.000 1.125 654 A HN 0.623 nan 8.150 nan 0.000 0.358 655 P HA 0.382 nan 4.420 nan 0.000 0.277 655 P C 0.288 177.573 177.300 -0.025 0.000 1.240 655 P CA -0.200 62.899 63.100 -0.002 0.000 0.798 655 P CB 1.128 32.846 31.700 0.030 0.000 0.979 656 V N 2.235 122.030 119.914 -0.198 0.000 2.811 656 V HA 0.043 4.163 4.120 0.000 0.000 0.302 656 V C 1.786 177.701 176.094 -0.298 0.000 1.063 656 V CA 1.096 63.118 62.300 -0.463 0.000 1.088 656 V CB 0.624 31.717 31.823 -1.217 0.000 0.982 656 V HN 0.840 nan 8.190 nan 0.000 0.485 657 S N 3.250 118.798 115.700 -0.252 0.000 2.575 657 S HA 0.235 4.705 4.470 0.000 0.000 0.230 657 S C 0.495 174.940 174.600 -0.259 0.000 1.062 657 S CA -0.353 57.777 58.200 -0.117 0.000 0.913 657 S CB 0.328 63.526 63.200 -0.004 0.000 0.837 657 S HN 0.841 nan 8.310 nan 0.000 0.487 658 R N -0.905 119.321 120.500 -0.457 0.000 2.535 658 R HA 0.312 4.652 4.340 0.000 0.000 0.274 658 R C -1.019 174.970 176.300 -0.518 0.000 1.090 658 R CA -0.791 54.979 56.100 -0.549 0.000 0.930 658 R CB -0.026 29.967 30.300 -0.511 0.000 1.223 658 R HN 0.203 nan 8.270 nan 0.000 0.441 659 W N 1.819 123.042 121.300 -0.127 0.000 2.421 659 W HA -0.053 4.607 4.660 0.000 0.000 0.270 659 W C 1.313 177.983 176.519 0.252 0.000 1.233 659 W CA 0.835 58.199 57.345 0.032 0.000 1.226 659 W CB 0.145 29.535 29.460 -0.117 0.000 1.121 659 W HN 0.748 nan 8.180 nan 0.000 0.579 660 E N -0.885 119.505 120.200 0.318 0.000 2.204 660 E HA -0.217 4.133 4.350 0.000 0.000 0.195 660 E C 1.485 178.243 176.600 0.262 0.000 0.990 660 E CA 1.213 57.731 56.400 0.196 0.000 0.821 660 E CB -0.456 29.239 29.700 -0.009 0.000 0.750 660 E HN 0.345 nan 8.360 nan 0.000 0.477 661 Y N -1.454 118.948 120.300 0.171 0.000 2.516 661 Y HA 0.054 4.604 4.550 0.000 0.000 0.291 661 Y C 0.653 176.680 175.900 0.213 0.000 1.131 661 Y CA -0.222 57.957 58.100 0.132 0.000 1.281 661 Y CB -0.516 37.967 38.460 0.038 0.000 1.013 661 Y HN 0.031 nan 8.280 nan 0.000 0.554 662 Y N 1.595 122.072 120.300 0.295 0.000 2.458 662 Y HA 0.298 4.848 4.550 0.000 0.000 0.322 662 Y C 0.196 176.319 175.900 0.371 0.000 1.259 662 Y CA -2.223 56.057 58.100 0.299 0.000 1.302 662 Y CB 0.450 39.104 38.460 0.324 0.000 1.314 662 Y HN 0.160 nan 8.280 nan 0.000 0.509 663 D N -0.345 119.786 120.400 -0.449 0.000 2.399 663 D HA 0.076 4.716 4.640 0.000 0.000 0.241 663 D C 0.903 177.192 176.300 -0.018 0.000 1.133 663 D CA 0.409 54.202 54.000 -0.346 0.000 0.890 663 D CB 1.015 41.395 40.800 -0.699 0.000 1.201 663 D HN 0.498 nan 8.370 nan 0.000 0.432 664 S N 1.500 117.193 115.700 -0.011 0.000 2.356 664 S HA -0.220 4.250 4.470 0.000 0.000 0.223 664 S C 1.889 176.516 174.600 0.045 0.000 1.032 664 S CA 1.098 59.342 58.200 0.074 0.000 1.005 664 S CB -0.925 62.323 63.200 0.079 0.000 0.867 664 S HN 0.435 nan 8.310 nan 0.000 0.449 665 V N 0.827 120.704 119.914 -0.062 0.000 2.287 665 V HA -0.176 3.944 4.120 0.000 0.000 0.248 665 V C 2.299 178.300 176.094 -0.155 0.000 1.053 665 V CA 2.236 64.402 62.300 -0.225 0.000 1.027 665 V CB -1.075 30.459 31.823 -0.481 0.000 0.646 665 V HN 0.601 nan 8.190 nan 0.000 0.447 666 Y N 1.282 121.518 120.300 -0.107 0.000 2.133 666 Y HA -0.226 4.324 4.550 0.000 0.000 0.287 666 Y C 2.754 178.638 175.900 -0.026 0.000 1.134 666 Y CA 2.339 60.446 58.100 0.012 0.000 1.133 666 Y CB -0.564 38.108 38.460 0.353 0.000 0.987 666 Y HN 0.210 nan 8.280 nan 0.000 0.502 667 T N 0.399 115.143 114.554 0.317 0.000 2.684 667 T HA -0.203 4.147 4.350 0.000 0.000 0.267 667 T C 1.538 176.199 174.700 -0.064 0.000 1.036 667 T CA 2.018 64.240 62.100 0.202 0.000 1.148 667 T CB -0.287 68.865 68.868 0.474 0.000 0.863 667 T HN 0.462 nan 8.240 nan 0.000 0.436 668 E N 0.540 120.726 120.200 -0.024 0.000 2.152 668 E HA -0.022 4.328 4.350 0.000 0.000 0.192 668 E C 2.357 178.833 176.600 -0.206 0.000 0.983 668 E CA 0.303 56.687 56.400 -0.027 0.000 0.818 668 E CB -0.124 29.613 29.700 0.061 0.000 0.758 668 E HN 0.306 nan 8.360 nan 0.000 0.467 669 R N 0.236 120.473 120.500 -0.438 0.000 2.133 669 R HA -0.222 4.118 4.340 0.000 0.000 0.247 669 R C 1.092 176.864 176.300 -0.881 0.000 1.151 669 R CA 1.747 57.396 56.100 -0.753 0.000 0.971 669 R CB -0.037 29.502 30.300 -1.269 0.000 0.866 669 R HN 0.283 nan 8.270 nan 0.000 0.447 670 Y N -2.758 117.240 120.300 -0.504 0.000 2.444 670 Y HA 0.240 4.790 4.550 0.000 0.000 0.252 670 Y C 1.641 177.340 175.900 -0.334 0.000 1.091 670 Y CA -0.131 57.656 58.100 -0.520 0.000 1.276 670 Y CB 0.551 38.556 38.460 -0.758 0.000 1.170 670 Y HN -0.049 nan 8.280 nan 0.000 0.517 671 M N -0.825 118.660 119.600 -0.191 0.000 2.338 671 M HA 0.388 4.868 4.480 0.000 0.000 0.276 671 M C 1.123 177.434 176.300 0.018 0.000 1.057 671 M CA 0.884 56.070 55.300 -0.190 0.000 1.079 671 M CB 0.113 32.432 32.600 -0.470 0.000 1.547 671 M HN 0.313 nan 8.290 nan 0.000 0.549 672 G N 1.826 110.655 108.800 0.049 0.000 2.598 672 G HA2 -0.197 3.763 3.960 0.000 0.000 0.244 672 G HA3 -0.197 3.763 3.960 0.000 0.000 0.244 672 G C -0.557 174.482 174.900 0.231 0.000 1.302 672 G CA -0.806 44.363 45.100 0.116 0.000 0.903 672 G HN 0.206 nan 8.290 nan 0.000 0.575 673 L N 2.045 123.369 121.223 0.169 0.000 2.375 673 L HA 0.480 4.820 4.340 0.000 0.000 0.271 673 L C -1.464 175.400 176.870 -0.010 0.000 1.107 673 L CA -1.681 53.212 54.840 0.089 0.000 0.806 673 L CB 0.923 42.998 42.059 0.028 0.000 1.146 673 L HN 0.448 nan 8.230 nan 0.000 0.447 674 P HA 0.138 nan 4.420 nan 0.000 0.214 674 P C -0.575 176.573 177.300 -0.254 0.000 1.826 674 P CA -0.156 62.533 63.100 -0.684 0.000 0.977 674 P CB -0.287 30.758 31.700 -1.091 0.000 1.930 675 T N -2.704 111.788 114.554 -0.104 0.000 2.893 675 T HA 0.486 4.836 4.350 0.000 0.000 0.291 675 T C -2.357 172.340 174.700 -0.005 0.000 1.028 675 T CA -2.567 59.505 62.100 -0.046 0.000 0.995 675 T CB 1.999 70.851 68.868 -0.027 0.000 1.051 675 T HN -0.298 nan 8.240 nan 0.000 0.470 676 P HA -0.125 nan 4.420 nan 0.000 0.218 676 P C 1.287 178.603 177.300 0.026 0.000 1.148 676 P CA 0.965 64.076 63.100 0.019 0.000 0.822 676 P CB 0.114 31.822 31.700 0.012 0.000 0.784 677 E N -1.613 118.598 120.200 0.019 0.000 2.476 677 E HA -0.019 4.331 4.350 0.000 0.000 0.191 677 E C 0.614 177.231 176.600 0.028 0.000 1.064 677 E CA 0.536 56.948 56.400 0.020 0.000 0.866 677 E CB -0.228 29.479 29.700 0.012 0.000 0.952 677 E HN 0.227 nan 8.360 nan 0.000 0.492 678 D N 0.846 121.270 120.400 0.040 0.000 3.208 678 D HA 0.054 4.694 4.640 0.000 0.000 0.193 678 D C 0.067 176.424 176.300 0.095 0.000 1.283 678 D CA -0.149 53.886 54.000 0.060 0.000 1.473 678 D CB 0.018 40.854 40.800 0.060 0.000 1.040 678 D HN 0.050 nan 8.370 nan 0.000 0.173 679 N N 0.287 119.078 118.700 0.151 0.000 2.365 679 N HA 0.100 4.840 4.740 0.000 0.000 0.257 679 N C 0.966 176.687 175.510 0.353 0.000 1.287 679 N CA -0.074 53.117 53.050 0.236 0.000 0.882 679 N CB 0.253 38.893 38.487 0.255 0.000 1.250 679 N HN 0.085 nan 8.380 nan 0.000 0.507 680 L N 0.429 121.767 121.223 0.191 0.000 2.079 680 L HA -0.100 4.240 4.340 0.000 0.000 0.210 680 L C 1.169 178.152 176.870 0.188 0.000 1.081 680 L CA 1.935 56.855 54.840 0.133 0.000 0.752 680 L CB -0.396 41.674 42.059 0.019 0.000 0.896 680 L HN 0.127 nan 8.230 nan 0.000 0.433 681 D N -1.689 118.806 120.400 0.159 0.000 2.104 681 D HA -0.238 4.402 4.640 0.000 0.000 0.194 681 D C 2.105 178.498 176.300 0.155 0.000 0.994 681 D CA 1.685 55.764 54.000 0.131 0.000 0.830 681 D CB -0.104 40.760 40.800 0.108 0.000 0.959 681 D HN 0.571 nan 8.370 nan 0.000 0.452 682 H N -1.145 117.998 119.070 0.122 0.000 2.395 682 H HA -0.060 4.497 4.556 0.000 0.000 0.299 682 H C 1.682 177.079 175.328 0.115 0.000 1.070 682 H CA 1.289 57.387 56.048 0.082 0.000 1.356 682 H CB -0.244 29.532 29.762 0.024 0.000 1.401 682 H HN 0.150 nan 8.280 nan 0.000 0.524 683 Y N 0.644 120.988 120.300 0.073 0.000 2.069 683 Y HA -0.320 4.230 4.550 0.000 0.000 0.278 683 Y C 2.685 178.568 175.900 -0.030 0.000 1.175 683 Y CA 1.881 60.019 58.100 0.063 0.000 1.134 683 Y CB -0.095 38.412 38.460 0.078 0.000 0.965 683 Y HN 0.144 nan 8.280 nan 0.000 0.498 684 R N 0.148 120.733 120.500 0.142 0.000 2.096 684 R HA -0.179 4.161 4.340 0.000 0.000 0.240 684 R C 1.609 177.890 176.300 -0.031 0.000 1.139 684 R CA 1.522 57.645 56.100 0.039 0.000 0.952 684 R CB -1.066 29.256 30.300 0.036 0.000 0.854 684 R HN 0.508 nan 8.270 nan 0.000 0.436 685 N N 0.631 119.275 118.700 -0.093 0.000 2.494 685 N HA -0.056 4.684 4.740 0.000 0.000 0.182 685 N C 0.773 176.158 175.510 -0.208 0.000 1.076 685 N CA 0.969 53.933 53.050 -0.143 0.000 0.908 685 N CB 0.189 38.600 38.487 -0.128 0.000 0.967 685 N HN 0.231 nan 8.380 nan 0.000 0.449 686 S N -0.644 114.908 115.700 -0.245 0.000 2.568 686 S HA 0.035 4.505 4.470 0.000 0.000 0.232 686 S C 0.764 175.402 174.600 0.063 0.000 0.975 686 S CA -0.685 57.447 58.200 -0.113 0.000 0.949 686 S CB -0.134 62.983 63.200 -0.137 0.000 0.829 686 S HN 0.179 nan 8.310 nan 0.000 0.479 687 T N -0.681 113.867 114.554 -0.010 0.000 2.899 687 T HA 0.403 4.753 4.350 0.000 0.000 0.295 687 T C 1.350 176.054 174.700 0.005 0.000 1.033 687 T CA -0.098 61.989 62.100 -0.021 0.000 1.084 687 T CB 1.453 70.278 68.868 -0.070 0.000 0.979 687 T HN 0.359 nan 8.240 nan 0.000 0.532 688 V N 2.385 122.305 119.914 0.011 0.000 2.591 688 V HA -0.041 4.079 4.120 0.000 0.000 0.249 688 V C 2.264 178.349 176.094 -0.014 0.000 1.053 688 V CA 1.432 63.730 62.300 -0.003 0.000 1.068 688 V CB -1.072 30.748 31.823 -0.005 0.000 0.689 688 V HN 0.873 nan 8.190 nan 0.000 0.462 689 M N 2.316 121.889 119.600 -0.045 0.000 2.089 689 M HA -0.176 4.305 4.480 0.000 0.000 0.257 689 M C 2.477 178.760 176.300 -0.028 0.000 1.071 689 M CA 2.614 57.881 55.300 -0.056 0.000 1.096 689 M CB -1.067 31.508 32.600 -0.041 0.000 1.330 689 M HN 0.737 nan 8.290 nan 0.000 0.403 690 S N -0.413 115.277 115.700 -0.018 0.000 2.469 690 S HA -0.123 4.347 4.470 0.000 0.000 0.238 690 S C 1.833 176.437 174.600 0.006 0.000 0.998 690 S CA 0.949 59.144 58.200 -0.009 0.000 0.957 690 S CB -0.488 62.701 63.200 -0.017 0.000 0.764 690 S HN 0.540 nan 8.310 nan 0.000 0.514 691 R N 0.469 120.986 120.500 0.028 0.000 2.334 691 R HA 0.460 4.800 4.340 0.000 0.000 0.216 691 R C 2.292 178.688 176.300 0.159 0.000 0.905 691 R CA 0.424 56.559 56.100 0.057 0.000 1.064 691 R CB -0.329 29.988 30.300 0.027 0.000 1.046 691 R HN 0.475 nan 8.270 nan 0.000 0.508 692 A N 1.713 124.600 122.820 0.111 0.000 1.909 692 A HA -0.345 3.975 4.320 0.000 0.000 0.221 692 A C 2.010 179.695 177.584 0.169 0.000 1.223 692 A CA 2.179 54.269 52.037 0.088 0.000 0.658 692 A CB -0.456 18.525 19.000 -0.032 0.000 0.831 692 A HN 0.303 nan 8.150 nan 0.000 0.462 693 E N 0.312 120.569 120.200 0.096 0.000 2.114 693 E HA -0.217 4.133 4.350 0.000 0.000 0.199 693 E C 1.656 178.310 176.600 0.089 0.000 1.008 693 E CA 1.878 58.325 56.400 0.078 0.000 0.810 693 E CB -0.303 29.423 29.700 0.044 0.000 0.739 693 E HN 0.626 nan 8.360 nan 0.000 0.456 694 N N -0.681 118.062 118.700 0.072 0.000 2.459 694 N HA -0.091 4.649 4.740 0.000 0.000 0.181 694 N C 0.870 176.346 175.510 -0.056 0.000 1.046 694 N CA 0.465 53.505 53.050 -0.018 0.000 0.904 694 N CB -0.246 38.178 38.487 -0.105 0.000 0.964 694 N HN 0.220 nan 8.380 nan 0.000 0.444 695 F N 1.387 121.291 119.950 -0.077 0.000 2.722 695 F HA 0.030 4.557 4.527 0.000 0.000 0.298 695 F C 1.906 177.712 175.800 0.010 0.000 1.175 695 F CA 0.600 58.552 58.000 -0.080 0.000 1.462 695 F CB 0.050 38.955 39.000 -0.158 0.000 1.111 695 F HN -0.044 nan 8.300 nan 0.000 0.592 696 K N -0.212 120.284 120.400 0.161 0.000 2.283 696 K HA -0.159 4.161 4.320 0.000 0.000 0.202 696 K C 1.708 178.366 176.600 0.096 0.000 1.048 696 K CA 0.941 57.305 56.287 0.127 0.000 0.948 696 K CB -0.148 32.407 32.500 0.092 0.000 0.742 696 K HN 0.389 nan 8.250 nan 0.000 0.458 697 Q N 0.341 120.177 119.800 0.059 0.000 2.432 697 Q HA -0.005 4.335 4.340 0.000 0.000 0.205 697 Q C 0.318 176.358 176.000 0.067 0.000 0.945 697 Q CA 0.256 56.086 55.803 0.044 0.000 0.924 697 Q CB 0.602 29.345 28.738 0.009 0.000 1.016 697 Q HN 0.133 nan 8.270 nan 0.000 0.503 698 V N -3.021 116.948 119.914 0.092 0.000 3.102 698 V HA 0.475 4.595 4.120 0.000 0.000 0.312 698 V C -1.133 175.105 176.094 0.240 0.000 1.135 698 V CA -1.262 61.120 62.300 0.138 0.000 1.022 698 V CB 2.203 34.068 31.823 0.071 0.000 1.056 698 V HN -0.051 nan 8.190 nan 0.000 0.436 699 E N 1.731 122.102 120.200 0.284 0.000 2.146 699 E HA 0.463 4.813 4.350 0.000 0.000 0.282 699 E C -1.774 175.196 176.600 0.617 0.000 0.989 699 E CA -0.367 56.270 56.400 0.394 0.000 0.799 699 E CB 1.652 31.510 29.700 0.264 0.000 1.088 699 E HN 0.675 nan 8.360 nan 0.000 0.397 700 Y N 3.181 123.752 120.300 0.453 0.000 2.429 700 Y HA 0.501 5.051 4.550 0.000 0.000 0.342 700 Y C -1.524 174.485 175.900 0.182 0.000 1.004 700 Y CA -1.638 56.672 58.100 0.350 0.000 1.075 700 Y CB 1.133 39.816 38.460 0.372 0.000 1.214 700 Y HN 0.424 nan 8.280 nan 0.000 0.455 701 L N 7.256 128.247 121.223 -0.386 0.000 2.376 701 L HA 0.625 4.965 4.340 0.000 0.000 0.275 701 L C -2.250 174.193 176.870 -0.712 0.000 0.987 701 L CA -0.793 53.654 54.840 -0.656 0.000 0.828 701 L CB 1.486 42.801 42.059 -1.240 0.000 1.249 701 L HN 0.615 nan 8.230 nan 0.000 0.409 702 L N 6.475 127.370 121.223 -0.548 0.000 2.325 702 L HA 0.709 5.049 4.340 0.000 0.000 0.281 702 L C -1.184 175.562 176.870 -0.206 0.000 1.004 702 L CA -0.033 54.515 54.840 -0.485 0.000 0.823 702 L CB 1.279 43.043 42.059 -0.492 0.000 1.236 702 L HN 0.592 nan 8.230 nan 0.000 0.415 703 I N 4.136 124.595 120.570 -0.185 0.000 2.608 703 I HA 0.505 4.675 4.170 0.000 0.000 0.295 703 I C -1.160 174.935 176.117 -0.037 0.000 1.049 703 I CA -0.785 60.464 61.300 -0.086 0.000 1.063 703 I CB 2.156 40.069 38.000 -0.143 0.000 1.248 703 I HN 0.672 nan 8.210 nan 0.000 0.424 704 H N 1.715 120.832 119.070 0.080 0.000 3.121 704 H HA 0.435 4.991 4.556 0.000 0.000 0.337 704 H C -0.457 175.100 175.328 0.381 0.000 1.198 704 H CA -0.565 55.575 56.048 0.152 0.000 1.274 704 H CB 1.909 31.698 29.762 0.045 0.000 1.954 704 H HN 0.768 nan 8.280 nan 0.000 0.531 705 G N 0.926 110.059 108.800 0.554 0.000 2.390 705 G HA2 0.252 4.212 3.960 0.000 0.000 0.270 705 G HA3 0.252 4.212 3.960 0.000 0.000 0.270 705 G C 1.090 176.287 174.900 0.495 0.000 1.211 705 G CA 0.139 45.532 45.100 0.489 0.000 0.842 705 G HN 0.732 nan 8.290 nan 0.000 0.519 706 T N -0.498 114.222 114.554 0.277 0.000 2.951 706 T HA 0.084 4.434 4.350 0.000 0.000 0.268 706 T C 1.763 176.478 174.700 0.024 0.000 1.073 706 T CA 1.155 63.254 62.100 -0.001 0.000 1.134 706 T CB 0.181 68.969 68.868 -0.133 0.000 0.884 706 T HN 0.656 nan 8.240 nan 0.000 0.479 707 A N 1.287 124.182 122.820 0.124 0.000 2.640 707 A HA 0.296 4.616 4.320 0.000 0.000 0.282 707 A C 0.420 177.999 177.584 -0.009 0.000 1.357 707 A CA -0.493 51.604 52.037 0.101 0.000 0.946 707 A CB -0.427 18.873 19.000 0.499 0.000 1.065 707 A HN 0.342 nan 8.150 nan 0.000 0.541 708 D N 1.533 121.937 120.400 0.007 0.000 2.359 708 D HA -0.006 4.634 4.640 0.000 0.000 0.250 708 D C 0.470 176.746 176.300 -0.040 0.000 1.264 708 D CA 0.032 54.126 54.000 0.157 0.000 0.911 708 D CB 0.592 41.636 40.800 0.407 0.000 1.056 708 D HN 0.576 nan 8.370 nan 0.000 0.499 709 D N 2.043 122.472 120.400 0.047 0.000 2.347 709 D HA -0.118 4.522 4.640 0.000 0.000 0.215 709 D C 0.953 177.232 176.300 -0.035 0.000 0.976 709 D CA 0.240 54.231 54.000 -0.016 0.000 0.884 709 D CB 0.349 41.128 40.800 -0.035 0.000 0.915 709 D HN 0.451 nan 8.370 nan 0.000 0.526 710 N N -0.052 118.711 118.700 0.104 0.000 2.530 710 N HA -0.014 4.726 4.740 0.000 0.000 0.216 710 N C -0.247 175.181 175.510 -0.138 0.000 1.031 710 N CA 0.019 53.176 53.050 0.179 0.000 1.063 710 N CB 0.868 39.520 38.487 0.275 0.000 1.346 710 N HN -0.181 nan 8.380 nan 0.000 0.515 711 V N 2.673 122.544 119.914 -0.072 0.000 2.320 711 V HA 0.197 4.317 4.120 0.000 0.000 0.265 711 V C -0.915 175.235 176.094 0.093 0.000 1.048 711 V CA -0.319 61.987 62.300 0.010 0.000 0.865 711 V CB -0.188 31.708 31.823 0.122 0.000 1.043 711 V HN 0.336 nan 8.190 nan 0.000 0.474 712 H N 3.437 122.499 119.070 -0.014 0.000 2.928 712 H HA -0.009 4.547 4.556 0.000 0.000 0.338 712 H C 0.834 176.019 175.328 -0.239 0.000 1.047 712 H CA 0.003 55.958 56.048 -0.155 0.000 1.435 712 H CB 0.627 30.213 29.762 -0.294 0.000 1.428 712 H HN 0.618 nan 8.280 nan 0.000 0.590 713 F N 2.236 121.988 119.950 -0.330 0.000 2.111 713 F HA -0.377 4.150 4.527 0.000 0.000 0.300 713 F C 2.624 178.139 175.800 -0.474 0.000 1.088 713 F CA 2.089 59.700 58.000 -0.648 0.000 1.243 713 F CB -0.227 38.587 39.000 -0.310 0.000 0.996 713 F HN 0.711 nan 8.300 nan 0.000 0.483 714 Q N 0.103 119.788 119.800 -0.192 0.000 2.146 714 Q HA -0.384 3.956 4.340 0.000 0.000 0.217 714 Q C 2.130 177.888 176.000 -0.404 0.000 1.023 714 Q CA 2.767 58.392 55.803 -0.297 0.000 0.903 714 Q CB -0.487 28.045 28.738 -0.342 0.000 0.990 714 Q HN 0.636 nan 8.270 nan 0.000 0.413 715 Q N -0.660 118.939 119.800 -0.335 0.000 2.084 715 Q HA -0.114 4.226 4.340 0.000 0.000 0.202 715 Q C 2.238 178.135 176.000 -0.172 0.000 0.978 715 Q CA 1.688 57.415 55.803 -0.127 0.000 0.844 715 Q CB -0.032 28.724 28.738 0.029 0.000 0.898 715 Q HN 0.344 nan 8.270 nan 0.000 0.426 716 S N 0.614 116.086 115.700 -0.380 0.000 2.425 716 S HA 0.022 4.492 4.470 0.000 0.000 0.225 716 S C 2.064 176.396 174.600 -0.446 0.000 1.024 716 S CA 0.621 58.597 58.200 -0.374 0.000 0.951 716 S CB -0.062 62.914 63.200 -0.374 0.000 0.796 716 S HN 0.459 nan 8.310 nan 0.000 0.498 717 A N 1.665 124.121 122.820 -0.607 0.000 1.948 717 A HA -0.183 4.137 4.320 0.000 0.000 0.220 717 A C 2.130 179.613 177.584 -0.169 0.000 1.177 717 A CA 1.330 53.169 52.037 -0.331 0.000 0.636 717 A CB -0.468 18.418 19.000 -0.190 0.000 0.815 717 A HN 0.375 nan 8.150 nan 0.000 0.449 718 Q N -0.470 119.238 119.800 -0.154 0.000 2.123 718 Q HA -0.016 4.324 4.340 0.000 0.000 0.199 718 Q C 2.175 178.126 176.000 -0.082 0.000 0.966 718 Q CA 1.118 56.887 55.803 -0.058 0.000 0.845 718 Q CB -0.381 28.400 28.738 0.073 0.000 0.907 718 Q HN 0.797 nan 8.270 nan 0.000 0.439 719 I N 1.245 121.736 120.570 -0.131 0.000 2.142 719 I HA -0.303 3.867 4.170 0.000 0.000 0.240 719 I C 2.633 178.581 176.117 -0.282 0.000 1.078 719 I CA 1.524 62.700 61.300 -0.207 0.000 1.343 719 I CB -0.676 37.200 38.000 -0.207 0.000 1.046 719 I HN 0.190 nan 8.210 nan 0.000 0.405 720 S N 1.266 116.816 115.700 -0.250 0.000 2.365 720 S HA -0.331 4.139 4.470 0.000 0.000 0.225 720 S C 2.056 176.633 174.600 -0.038 0.000 1.039 720 S CA 1.855 59.953 58.200 -0.170 0.000 1.033 720 S CB -0.598 62.666 63.200 0.106 0.000 0.887 720 S HN 0.398 nan 8.310 nan 0.000 0.447 721 K N 1.819 122.203 120.400 -0.027 0.000 2.009 721 K HA -0.067 4.253 4.320 0.000 0.000 0.210 721 K C 2.366 178.954 176.600 -0.020 0.000 1.049 721 K CA 1.377 57.664 56.287 0.000 0.000 0.929 721 K CB -0.855 31.641 32.500 -0.006 0.000 0.714 721 K HN 0.456 nan 8.250 nan 0.000 0.440 722 A N 1.016 123.798 122.820 -0.064 0.000 1.948 722 A HA -0.164 4.156 4.320 0.000 0.000 0.220 722 A C 2.129 179.662 177.584 -0.086 0.000 1.177 722 A CA 1.627 53.620 52.037 -0.072 0.000 0.636 722 A CB -0.634 18.307 19.000 -0.099 0.000 0.815 722 A HN 0.369 nan 8.150 nan 0.000 0.449 723 L N -0.957 120.174 121.223 -0.152 0.000 2.131 723 L HA -0.097 4.243 4.340 0.000 0.000 0.206 723 L C 2.494 179.399 176.870 0.060 0.000 1.087 723 L CA 0.667 55.427 54.840 -0.133 0.000 0.767 723 L CB -0.446 41.366 42.059 -0.413 0.000 0.917 723 L HN 0.236 nan 8.230 nan 0.000 0.441 724 V N -0.042 119.942 119.914 0.118 0.000 2.343 724 V HA -0.293 3.827 4.120 0.000 0.000 0.247 724 V C 1.994 178.133 176.094 0.075 0.000 1.051 724 V CA 1.904 64.286 62.300 0.138 0.000 1.036 724 V CB -0.504 31.398 31.823 0.131 0.000 0.654 724 V HN 0.435 nan 8.190 nan 0.000 0.451 725 D N 0.294 120.721 120.400 0.045 0.000 2.218 725 D HA -0.105 4.535 4.640 0.000 0.000 0.204 725 D C 1.797 178.116 176.300 0.032 0.000 0.976 725 D CA 1.640 55.658 54.000 0.031 0.000 0.853 725 D CB -0.114 40.697 40.800 0.018 0.000 0.939 725 D HN 0.569 nan 8.370 nan 0.000 0.481 726 V N -3.658 116.277 119.914 0.036 0.000 3.621 726 V HA 0.486 4.606 4.120 0.000 0.000 0.285 726 V C 1.268 177.397 176.094 0.058 0.000 1.346 726 V CA 0.334 62.658 62.300 0.041 0.000 1.104 726 V CB -0.123 31.723 31.823 0.037 0.000 0.913 726 V HN 0.144 nan 8.190 nan 0.000 0.432 727 G N 0.573 109.416 108.800 0.071 0.000 2.225 727 G HA2 -0.189 3.771 3.960 0.000 0.000 0.264 727 G HA3 -0.189 3.771 3.960 0.000 0.000 0.264 727 G C -0.066 174.900 174.900 0.110 0.000 1.060 727 G CA 0.193 45.343 45.100 0.083 0.000 0.833 727 G HN 0.836 nan 8.290 nan 0.000 0.498 728 V N 0.581 120.582 119.914 0.145 0.000 2.432 728 V HA 0.407 4.527 4.120 0.000 0.000 0.275 728 V C 0.523 176.794 176.094 0.295 0.000 1.043 728 V CA -0.453 61.966 62.300 0.199 0.000 0.925 728 V CB 1.656 33.594 31.823 0.192 0.000 0.985 728 V HN 0.433 nan 8.190 nan 0.000 0.466 729 D N 4.384 124.927 120.400 0.239 0.000 2.304 729 D HA 0.537 5.177 4.640 0.000 0.000 0.250 729 D C -0.509 175.997 176.300 0.343 0.000 1.107 729 D CA 0.142 54.263 54.000 0.202 0.000 0.885 729 D CB 0.671 41.533 40.800 0.104 0.000 1.192 729 D HN 0.360 nan 8.370 nan 0.000 0.436 730 F N 0.046 120.074 119.950 0.130 0.000 2.745 730 F HA 0.509 5.036 4.527 0.000 0.000 0.316 730 F C -1.291 174.570 175.800 0.102 0.000 1.155 730 F CA -1.115 56.986 58.000 0.168 0.000 0.937 730 F CB 0.880 40.007 39.000 0.211 0.000 1.361 730 F HN 0.070 nan 8.300 nan 0.000 0.472 731 Q N 1.318 121.226 119.800 0.181 0.000 2.266 731 Q HA 0.788 5.128 4.340 0.000 0.000 0.261 731 Q C -1.022 175.003 176.000 0.043 0.000 0.985 731 Q CA -0.983 54.828 55.803 0.013 0.000 0.873 731 Q CB 2.215 31.001 28.738 0.080 0.000 1.306 731 Q HN 1.001 nan 8.270 nan 0.000 0.447 732 A N 1.806 124.609 122.820 -0.028 0.000 2.498 732 A HA 0.815 5.135 4.320 0.000 0.000 0.298 732 A C -1.313 176.234 177.584 -0.062 0.000 1.075 732 A CA -0.591 51.465 52.037 0.031 0.000 0.714 732 A CB 1.912 20.998 19.000 0.142 0.000 1.299 732 A HN 0.636 nan 8.150 nan 0.000 0.407 733 M N 1.905 121.449 119.600 -0.093 0.000 2.238 733 M HA 0.599 5.079 4.480 0.000 0.000 0.278 733 M C -1.786 174.411 176.300 -0.171 0.000 1.040 733 M CA -0.561 54.540 55.300 -0.332 0.000 0.969 733 M CB 1.186 33.491 32.600 -0.492 0.000 1.694 733 M HN 0.887 nan 8.290 nan 0.000 0.472 734 W N 4.365 125.531 121.300 -0.224 0.000 2.448 734 W HA 0.749 5.409 4.660 -0.000 0.000 0.339 734 W C -1.992 174.288 176.519 -0.398 0.000 1.124 734 W CA -0.824 56.474 57.345 -0.078 0.000 1.262 734 W CB 0.303 29.768 29.460 0.009 0.000 1.251 734 W HN 0.603 nan 8.180 nan 0.000 0.597 735 Y N 2.447 122.903 120.300 0.260 0.000 2.464 735 Y HA 0.291 4.841 4.550 0.000 0.000 0.326 735 Y C 0.543 176.564 175.900 0.202 0.000 0.969 735 Y CA -1.079 57.089 58.100 0.114 0.000 1.270 735 Y CB 1.169 39.658 38.460 0.048 0.000 1.103 735 Y HN 0.428 nan 8.280 nan 0.000 0.491 736 T N 4.516 119.252 114.554 0.304 0.000 2.866 736 T HA -0.051 4.299 4.350 0.000 0.000 0.293 736 T C 0.258 175.033 174.700 0.124 0.000 1.005 736 T CA 0.740 62.953 62.100 0.188 0.000 1.162 736 T CB -0.108 68.812 68.868 0.087 0.000 0.968 736 T HN 0.710 nan 8.240 nan 0.000 0.530 737 D N 0.683 121.120 120.400 0.062 0.000 3.059 737 D HA -0.128 4.512 4.640 0.000 0.000 0.213 737 D C 0.304 176.708 176.300 0.174 0.000 1.144 737 D CA 1.192 55.136 54.000 -0.094 0.000 0.975 737 D CB -0.381 40.140 40.800 -0.465 0.000 1.125 737 D HN 0.571 nan 8.370 nan 0.000 0.412 738 E N 0.914 121.252 120.200 0.230 0.000 2.313 738 E HA 0.334 4.684 4.350 0.000 0.000 0.272 738 E C 0.706 177.490 176.600 0.307 0.000 1.038 738 E CA -0.270 56.289 56.400 0.265 0.000 0.863 738 E CB 1.202 31.047 29.700 0.242 0.000 1.060 738 E HN 0.350 nan 8.360 nan 0.000 0.402 739 D N -0.544 120.050 120.400 0.323 0.000 2.560 739 D HA 0.011 4.651 4.640 0.000 0.000 0.277 739 D C 1.026 177.558 176.300 0.387 0.000 1.194 739 D CA -0.285 53.932 54.000 0.362 0.000 1.092 739 D CB -0.110 40.934 40.800 0.406 0.000 1.169 739 D HN 0.407 nan 8.370 nan 0.000 0.607 740 H N -1.561 117.701 119.070 0.319 0.000 2.489 740 H HA 0.072 4.628 4.556 0.000 0.000 0.295 740 H C 1.881 177.483 175.328 0.457 0.000 1.082 740 H CA 2.102 58.365 56.048 0.359 0.000 1.295 740 H CB -0.346 29.614 29.762 0.331 0.000 1.380 740 H HN 0.501 nan 8.280 nan 0.000 0.548 741 G N -0.317 108.679 108.800 0.327 0.000 2.712 741 G HA2 -0.011 3.949 3.960 0.000 0.000 0.212 741 G HA3 -0.011 3.949 3.960 0.000 0.000 0.212 741 G C 0.702 175.792 174.900 0.316 0.000 1.142 741 G CA 0.255 45.471 45.100 0.194 0.000 0.789 741 G HN 0.516 nan 8.290 nan 0.000 0.535 742 I N 0.249 121.032 120.570 0.354 0.000 3.859 742 I HA -0.344 3.826 4.170 0.000 0.000 0.126 742 I C 1.675 177.919 176.117 0.211 0.000 1.065 742 I CA 0.153 61.598 61.300 0.240 0.000 2.735 742 I CB -0.979 37.106 38.000 0.143 0.000 1.465 742 I HN 0.257 nan 8.210 nan 0.000 0.341 743 A N 0.575 123.496 122.820 0.169 0.000 2.303 743 A HA 0.251 4.571 4.320 0.000 0.000 0.217 743 A C 1.166 178.799 177.584 0.083 0.000 1.205 743 A CA 0.099 52.202 52.037 0.108 0.000 0.875 743 A CB 0.214 19.247 19.000 0.054 0.000 0.910 743 A HN 0.434 nan 8.150 nan 0.000 0.501 744 S N 0.634 116.397 115.700 0.104 0.000 2.573 744 S HA 0.021 4.491 4.470 0.000 0.000 0.297 744 S C 1.502 176.157 174.600 0.091 0.000 1.280 744 S CA 0.517 58.773 58.200 0.092 0.000 1.061 744 S CB 1.001 64.260 63.200 0.098 0.000 0.812 744 S HN 0.582 nan 8.310 nan 0.000 0.500 745 S N 2.897 118.636 115.700 0.065 0.000 2.368 745 S HA -0.224 4.246 4.470 0.000 0.000 0.226 745 S C 2.299 176.959 174.600 0.100 0.000 1.044 745 S CA 2.304 60.544 58.200 0.067 0.000 1.062 745 S CB -0.843 62.378 63.200 0.035 0.000 0.931 745 S HN 0.978 nan 8.310 nan 0.000 0.440 746 T N -0.281 114.322 114.554 0.082 0.000 2.777 746 T HA 0.156 4.506 4.350 0.000 0.000 0.266 746 T C 1.969 176.730 174.700 0.101 0.000 1.040 746 T CA 1.372 63.523 62.100 0.085 0.000 1.141 746 T CB -0.933 67.977 68.868 0.070 0.000 0.868 746 T HN 0.465 nan 8.240 nan 0.000 0.444 747 A N 1.480 124.341 122.820 0.070 0.000 1.898 747 A HA -0.079 4.241 4.320 0.000 0.000 0.216 747 A C 2.194 179.745 177.584 -0.054 0.000 1.181 747 A CA 2.025 54.040 52.037 -0.038 0.000 0.620 747 A CB -1.295 17.628 19.000 -0.129 0.000 0.819 747 A HN 0.758 nan 8.150 nan 0.000 0.442 748 H N 0.014 119.075 119.070 -0.015 0.000 2.289 748 H HA -0.193 4.363 4.556 0.000 0.000 0.296 748 H C 2.109 177.510 175.328 0.122 0.000 1.091 748 H CA 2.487 58.587 56.048 0.086 0.000 1.274 748 H CB -0.298 29.510 29.762 0.076 0.000 1.364 748 H HN 0.582 nan 8.280 nan 0.000 0.490 749 Q N -1.092 118.716 119.800 0.014 0.000 2.135 749 Q HA -0.212 4.128 4.340 0.000 0.000 0.204 749 Q C 2.265 178.250 176.000 -0.025 0.000 0.981 749 Q CA 1.479 57.250 55.803 -0.054 0.000 0.856 749 Q CB -0.224 28.520 28.738 0.010 0.000 0.902 749 Q HN 0.655 nan 8.270 nan 0.000 0.425 750 H N 0.621 119.663 119.070 -0.047 0.000 2.333 750 H HA -0.039 4.517 4.556 0.000 0.000 0.302 750 H C 2.047 177.366 175.328 -0.015 0.000 1.075 750 H CA 1.203 57.254 56.048 0.006 0.000 1.348 750 H CB -0.017 29.806 29.762 0.102 0.000 1.393 750 H HN 0.272 nan 8.280 nan 0.000 0.509 751 I N 0.167 120.712 120.570 -0.041 0.000 2.226 751 I HA -0.327 3.843 4.170 0.000 0.000 0.245 751 I C 1.783 177.658 176.117 -0.403 0.000 1.100 751 I CA 1.311 62.489 61.300 -0.204 0.000 1.374 751 I CB -0.269 37.432 38.000 -0.497 0.000 1.057 751 I HN 0.171 nan 8.210 nan 0.000 0.413 752 Y N 0.727 120.810 120.300 -0.360 0.000 2.314 752 Y HA -0.199 4.351 4.550 0.000 0.000 0.293 752 Y C 2.666 178.334 175.900 -0.386 0.000 1.129 752 Y CA 1.791 59.560 58.100 -0.551 0.000 1.201 752 Y CB -0.497 37.636 38.460 -0.546 0.000 0.999 752 Y HN 0.160 nan 8.280 nan 0.000 0.541 753 T N -1.601 112.851 114.554 -0.169 0.000 2.737 753 T HA -0.244 4.106 4.350 0.000 0.000 0.265 753 T C 1.501 176.035 174.700 -0.276 0.000 1.038 753 T CA 1.870 63.821 62.100 -0.248 0.000 1.144 753 T CB -0.504 68.223 68.868 -0.236 0.000 0.866 753 T HN 0.397 nan 8.240 nan 0.000 0.434 754 H N 1.071 119.977 119.070 -0.273 0.000 2.290 754 H HA 0.062 4.618 4.556 0.000 0.000 0.298 754 H C 2.186 177.485 175.328 -0.048 0.000 1.087 754 H CA 1.686 57.656 56.048 -0.130 0.000 1.291 754 H CB -0.319 29.371 29.762 -0.121 0.000 1.369 754 H HN 0.247 nan 8.280 nan 0.000 0.492 755 M N -0.792 118.732 119.600 -0.126 0.000 2.213 755 M HA -0.157 4.323 4.480 0.000 0.000 0.263 755 M C 2.370 178.790 176.300 0.200 0.000 1.062 755 M CA 1.435 56.674 55.300 -0.103 0.000 1.105 755 M CB 0.038 32.329 32.600 -0.515 0.000 1.385 755 M HN 0.210 nan 8.290 nan 0.000 0.417 756 S N -0.616 115.210 115.700 0.211 0.000 2.368 756 S HA -0.151 4.319 4.470 0.000 0.000 0.224 756 S C 1.565 176.275 174.600 0.184 0.000 1.029 756 S CA 1.191 59.612 58.200 0.368 0.000 0.988 756 S CB -0.583 62.834 63.200 0.362 0.000 0.838 756 S HN 0.574 nan 8.310 nan 0.000 0.462 757 H N -0.702 118.436 119.070 0.112 0.000 2.387 757 H HA -0.043 4.513 4.556 0.000 0.000 0.299 757 H C 1.918 177.249 175.328 0.006 0.000 1.090 757 H CA 1.481 57.548 56.048 0.031 0.000 1.332 757 H CB -0.141 29.599 29.762 -0.038 0.000 1.386 757 H HN 0.365 nan 8.280 nan 0.000 0.516 758 F N 0.978 120.913 119.950 -0.024 0.000 2.084 758 F HA -0.196 4.331 4.527 0.000 0.000 0.296 758 F C 2.086 177.840 175.800 -0.077 0.000 1.111 758 F CA 1.001 58.955 58.000 -0.077 0.000 1.224 758 F CB -0.147 38.779 39.000 -0.123 0.000 0.991 758 F HN 0.028 nan 8.300 nan 0.000 0.471 759 I N 0.666 121.269 120.570 0.054 0.000 2.226 759 I HA -0.274 3.896 4.170 0.000 0.000 0.245 759 I C 2.236 178.169 176.117 -0.307 0.000 1.100 759 I CA 1.493 62.650 61.300 -0.238 0.000 1.374 759 I CB -1.272 36.658 38.000 -0.117 0.000 1.057 759 I HN 0.221 nan 8.210 nan 0.000 0.413 760 K N 0.256 120.622 120.400 -0.058 0.000 2.026 760 K HA -0.263 4.057 4.320 0.000 0.000 0.208 760 K C 2.083 178.675 176.600 -0.015 0.000 1.048 760 K CA 1.606 57.909 56.287 0.027 0.000 0.929 760 K CB -0.191 32.380 32.500 0.118 0.000 0.713 760 K HN 0.190 nan 8.250 nan 0.000 0.439 761 Q N 1.027 120.775 119.800 -0.087 0.000 2.002 761 Q HA -0.227 4.113 4.340 0.000 0.000 0.204 761 Q C 2.223 178.124 176.000 -0.164 0.000 0.988 761 Q CA 2.195 57.921 55.803 -0.129 0.000 0.843 761 Q CB -0.835 27.788 28.738 -0.192 0.000 0.908 761 Q HN 0.437 nan 8.270 nan 0.000 0.420 762 c N -0.319 118.082 118.600 -0.333 0.000 2.413 762 c HA -0.063 4.507 4.570 0.000 0.000 0.277 762 c C 1.932 176.050 174.090 0.046 0.000 1.265 762 c CA 0.553 56.722 56.329 -0.266 0.000 1.752 762 c CB -1.409 40.807 42.510 -0.491 0.000 1.998 762 c HN 0.622 nan 8.230 nan 0.000 0.489 763 F N 1.915 121.836 119.950 -0.050 0.000 2.773 763 F HA 0.237 4.764 4.527 0.000 0.000 0.304 763 F C 1.611 177.402 175.800 -0.014 0.000 1.129 763 F CA 0.396 58.388 58.000 -0.014 0.000 1.378 763 F CB -1.290 37.712 39.000 0.004 0.000 1.095 763 F HN 0.262 nan 8.300 nan 0.000 0.565 764 S N 0.857 116.642 115.700 0.142 0.000 3.706 764 S HA -0.212 4.258 4.470 0.000 0.000 0.363 764 S C -0.104 174.545 174.600 0.082 0.000 0.999 764 S CA 0.100 58.346 58.200 0.077 0.000 1.143 764 S CB -2.174 61.060 63.200 0.057 0.000 0.902 764 S HN 0.256 nan 8.310 nan 0.000 0.476 765 L N 1.625 122.907 121.223 0.098 0.000 2.296 765 L HA 0.545 4.885 4.340 0.000 0.000 0.286 765 L C -1.580 175.337 176.870 0.077 0.000 1.023 765 L CA -1.863 53.034 54.840 0.095 0.000 0.812 765 L CB 1.152 43.288 42.059 0.129 0.000 1.223 765 L HN 0.071 nan 8.230 nan 0.000 0.421 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.137 63.100 0.062 0.000 0.800 766 P CB 0.000 31.726 31.700 0.044 0.000 0.726