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 3bl8_1_C DATA FIRST_RESID 41 DATA SEQUENCE KPVVNTAYGR VRGVRRELNN EILGPVVQFL GVPYATPPLG ARRFQPPEAP DATA SEQUENCE ASWPGVRNAT TLPPAcPQNL HGALPAIMLP VWFTDNLEAA ATYVQNQSED DATA SEQUENCE cLYLNLYVPT XXXXXXXXXX XXXXXXXXXX XXXXXKKPVM LFLHGGSYME DATA SEQUENCE GTGNMFDGSV LAAYGNVIVV TLNYRLGVLG FLSTGDQAAK GNYGLLDQIQ DATA SEQUENCE ALRWLSENIA HFGGDPERIT IFGSGAGASC VNLLILSHHS EGLFQKAIAQ DATA SEQUENCE SGTAISSWSV NYQPLKYTRL LAAKVGcDRE DSTEAVEcLR RKSSRELVDQ DATA SEQUENCE DVQPARYHIA FGPVVDGDVV PDDPEILMQQ GEFLNYDMLI GVNQGEGLKF DATA SEQUENCE VEDSAESEDG VSASAFDFTV SNFVDNLYGY PEGKDVLRET IKFMYTDWAD DATA SEQUENCE RDNGEMRRKT LLALFTDHQW VAPAVATAKL HADYQSPVYF YTFYHHcQAE DATA SEQUENCE GRPEWADAAH GDELPYVFGV PMVGATDLFP cNFSKNDVML SAVVMTYWTN DATA SEQUENCE FAKTGDPNQP VPQDTKFIHT KPNRFEEVVW SKFNSKEKQY LHIGLKPRVR DATA SEQUENCE DNYRANKVAF WLELVPHLHN 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 0.000 176.620 176.600 0.034 0.000 0.988 41 K CA 0.000 56.279 56.287 -0.014 0.000 0.838 41 K CB 0.000 32.493 32.500 -0.012 0.000 1.064 42 P HA 0.613 nan 4.420 nan 0.000 0.277 42 P C -0.258 177.167 177.300 0.210 0.000 1.240 42 P CA -0.536 62.640 63.100 0.127 0.000 0.798 42 P CB 1.841 33.632 31.700 0.152 0.000 0.979 43 V N 2.017 122.031 119.914 0.165 0.000 2.834 43 V HA 0.594 4.714 4.120 0.000 0.000 0.313 43 V C -0.443 175.717 176.094 0.110 0.000 1.060 43 V CA -0.682 61.721 62.300 0.172 0.000 0.989 43 V CB 1.951 33.847 31.823 0.123 0.000 1.041 43 V HN 0.498 nan 8.190 nan 0.000 0.459 44 V N 4.978 124.918 119.914 0.044 0.000 2.969 44 V HA 0.506 4.626 4.120 0.000 0.000 0.304 44 V C -0.816 175.172 176.094 -0.176 0.000 1.192 44 V CA -0.848 61.362 62.300 -0.150 0.000 0.962 44 V CB 2.298 33.857 31.823 -0.439 0.000 1.045 44 V HN 0.954 nan 8.190 nan 0.000 0.428 45 N N 3.712 122.263 118.700 -0.247 0.000 2.406 45 N HA 0.329 5.069 4.740 0.000 0.000 0.251 45 N C -0.250 175.016 175.510 -0.406 0.000 1.069 45 N CA 0.331 53.215 53.050 -0.277 0.000 0.947 45 N CB 1.270 39.575 38.487 -0.304 0.000 1.111 45 N HN 0.986 nan 8.380 nan 0.000 0.497 46 T N -0.396 114.038 114.554 -0.201 0.000 2.945 46 T HA 0.517 4.867 4.350 0.000 0.000 0.286 46 T C 1.148 175.704 174.700 -0.239 0.000 1.025 46 T CA -0.809 61.215 62.100 -0.128 0.000 1.039 46 T CB 1.596 70.637 68.868 0.288 0.000 1.068 46 T HN 0.300 nan 8.240 nan 0.000 0.497 47 A N 0.238 122.861 122.820 -0.328 0.000 2.248 47 A HA 0.174 4.494 4.320 0.000 0.000 0.210 47 A C 0.866 178.053 177.584 -0.661 0.000 1.174 47 A CA 0.512 52.247 52.037 -0.504 0.000 0.750 47 A CB -1.068 17.589 19.000 -0.572 0.000 0.780 47 A HN 0.910 nan 8.150 nan 0.000 0.478 48 Y N -2.155 118.038 120.300 -0.179 0.000 2.471 48 Y HA 0.448 4.998 4.550 0.000 0.000 0.249 48 Y C 1.313 176.513 175.900 -1.166 0.000 1.116 48 Y CA 0.085 57.942 58.100 -0.405 0.000 1.240 48 Y CB 0.874 39.283 38.460 -0.085 0.000 1.251 48 Y HN 0.419 nan 8.280 nan 0.000 0.527 49 G N 0.413 108.682 108.800 -0.886 0.000 2.356 49 G HA2 0.303 4.263 3.960 0.000 0.000 0.266 49 G HA3 0.303 4.263 3.960 0.000 0.000 0.266 49 G C -1.735 173.123 174.900 -0.070 0.000 1.312 49 G CA -1.282 43.222 45.100 -0.993 0.000 0.922 49 G HN -0.044 nan 8.290 nan 0.000 0.480 50 R N -0.902 119.850 120.500 0.420 0.000 2.740 50 R HA 0.743 5.083 4.340 0.000 0.000 0.282 50 R C -0.370 176.288 176.300 0.596 0.000 0.969 50 R CA -0.580 55.788 56.100 0.446 0.000 0.918 50 R CB 2.441 32.870 30.300 0.215 0.000 1.175 50 R HN 1.063 nan 8.270 nan 0.000 0.464 51 V N -1.038 119.113 119.914 0.393 0.000 2.876 51 V HA 0.668 4.788 4.120 0.000 0.000 0.312 51 V C -0.574 175.726 176.094 0.342 0.000 1.085 51 V CA -1.118 61.380 62.300 0.330 0.000 0.945 51 V CB 2.017 34.059 31.823 0.366 0.000 1.017 51 V HN 0.709 nan 8.190 nan 0.000 0.428 52 R N 1.117 121.786 120.500 0.281 0.000 2.598 52 R HA 0.809 5.149 4.340 0.000 0.000 0.279 52 R C 0.167 176.599 176.300 0.220 0.000 0.984 52 R CA 0.223 56.466 56.100 0.239 0.000 0.999 52 R CB 1.886 32.255 30.300 0.115 0.000 1.114 52 R HN 1.213 nan 8.270 nan 0.000 0.493 53 G N 0.647 109.466 108.800 0.032 0.000 3.211 53 G HA2 0.546 4.506 3.960 0.000 0.000 0.262 53 G HA3 0.546 4.506 3.960 0.000 0.000 0.262 53 G C -1.595 173.145 174.900 -0.266 0.000 1.352 53 G CA -0.462 44.419 45.100 -0.366 0.000 1.004 53 G HN 0.424 nan 8.290 nan 0.000 0.559 54 V N 0.795 120.505 119.914 -0.340 0.000 2.524 54 V HA 0.417 4.537 4.120 0.000 0.000 0.297 54 V C -0.034 175.947 176.094 -0.188 0.000 1.035 54 V CA -0.746 61.434 62.300 -0.200 0.000 0.867 54 V CB 1.481 33.215 31.823 -0.147 0.000 1.004 54 V HN 0.640 nan 8.190 nan 0.000 0.426 55 R N 3.787 124.214 120.500 -0.121 0.000 2.401 55 R HA 0.429 4.769 4.340 0.000 0.000 0.299 55 R C -0.177 176.092 176.300 -0.052 0.000 1.064 55 R CA -0.084 55.972 56.100 -0.073 0.000 1.000 55 R CB 0.600 30.878 30.300 -0.037 0.000 0.973 55 R HN 0.566 nan 8.270 nan 0.000 0.438 56 R N 2.447 122.925 120.500 -0.036 0.000 2.514 56 R HA 0.120 4.460 4.340 0.000 0.000 0.296 56 R C -0.817 175.481 176.300 -0.002 0.000 1.012 56 R CA -0.613 55.475 56.100 -0.020 0.000 0.897 56 R CB 1.399 31.686 30.300 -0.020 0.000 1.184 56 R HN 0.520 nan 8.270 nan 0.000 0.440 57 E N 3.685 123.884 120.200 -0.002 0.000 2.344 57 E HA 0.059 4.409 4.350 0.000 0.000 0.270 57 E C -0.085 176.519 176.600 0.007 0.000 1.021 57 E CA -0.109 56.294 56.400 0.004 0.000 0.887 57 E CB 0.956 30.658 29.700 0.002 0.000 0.997 57 E HN 0.303 nan 8.360 nan 0.000 0.429 58 L N 2.813 124.042 121.223 0.010 0.000 2.375 58 L HA 0.110 4.450 4.340 0.000 0.000 0.271 58 L C 1.653 178.526 176.870 0.005 0.000 1.107 58 L CA 0.329 55.174 54.840 0.009 0.000 0.806 58 L CB 0.484 42.550 42.059 0.012 0.000 1.146 58 L HN 0.593 nan 8.230 nan 0.000 0.447 59 N N 1.466 120.167 118.700 0.001 0.000 2.512 59 N HA -0.116 4.624 4.740 0.000 0.000 0.183 59 N C 0.304 175.816 175.510 0.004 0.000 1.073 59 N CA 0.083 53.134 53.050 0.002 0.000 0.911 59 N CB 0.291 38.778 38.487 -0.001 0.000 0.964 59 N HN 0.527 nan 8.380 nan 0.000 0.447 60 N N 1.113 119.815 118.700 0.003 0.000 2.499 60 N HA -0.016 4.725 4.740 0.000 0.000 0.281 60 N C 0.652 176.169 175.510 0.012 0.000 1.098 60 N CA -0.052 53.002 53.050 0.007 0.000 0.979 60 N CB 1.246 39.732 38.487 -0.001 0.000 1.121 60 N HN 0.017 nan 8.380 nan 0.000 0.466 61 E N 2.414 122.626 120.200 0.020 0.000 2.072 61 E HA -0.141 4.209 4.350 0.000 0.000 0.191 61 E C 1.145 177.752 176.600 0.012 0.000 0.985 61 E CA 1.159 57.573 56.400 0.024 0.000 0.801 61 E CB 0.037 29.762 29.700 0.041 0.000 0.750 61 E HN 0.711 nan 8.360 nan 0.000 0.452 62 I N 1.081 121.655 120.570 0.007 0.000 2.493 62 I HA -0.163 4.007 4.170 0.000 0.000 0.254 62 I C 0.798 176.890 176.117 -0.041 0.000 1.160 62 I CA 0.693 61.964 61.300 -0.048 0.000 1.445 62 I CB -0.145 37.826 38.000 -0.048 0.000 1.086 62 I HN 0.036 nan 8.210 nan 0.000 0.433 63 L N 0.406 121.629 121.223 0.000 0.000 2.326 63 L HA 0.426 4.766 4.340 0.000 0.000 0.278 63 L C 1.004 177.875 176.870 0.002 0.000 1.092 63 L CA -0.502 54.344 54.840 0.011 0.000 0.810 63 L CB 0.759 42.831 42.059 0.022 0.000 1.153 63 L HN 0.120 nan 8.230 nan 0.000 0.439 64 G N 2.793 111.594 108.800 0.002 0.000 2.574 64 G HA2 0.565 4.525 3.960 0.000 0.000 0.248 64 G HA3 0.565 4.525 3.960 0.000 0.000 0.248 64 G C -2.674 172.236 174.900 0.017 0.000 1.422 64 G CA -0.907 44.196 45.100 0.005 0.000 1.051 64 G HN 0.396 nan 8.290 nan 0.000 0.560 65 P HA 0.436 nan 4.420 nan 0.000 0.286 65 P C -0.596 176.725 177.300 0.035 0.000 1.261 65 P CA -0.512 62.601 63.100 0.022 0.000 0.821 65 P CB 1.636 33.346 31.700 0.018 0.000 1.013 66 V N -0.039 119.895 119.914 0.034 0.000 2.823 66 V HA 0.619 4.739 4.120 0.000 0.000 0.312 66 V C -0.487 175.603 176.094 -0.007 0.000 1.072 66 V CA -1.105 61.224 62.300 0.048 0.000 0.937 66 V CB 2.022 33.901 31.823 0.093 0.000 1.013 66 V HN 0.206 nan 8.190 nan 0.000 0.430 67 V N 3.575 123.477 119.914 -0.020 0.000 2.350 67 V HA 0.442 4.562 4.120 0.000 0.000 0.276 67 V C -0.001 175.891 176.094 -0.337 0.000 1.028 67 V CA -0.299 61.883 62.300 -0.196 0.000 0.860 67 V CB 0.847 32.575 31.823 -0.157 0.000 0.990 67 V HN 0.996 nan 8.190 nan 0.000 0.453 68 Q N 4.130 123.659 119.800 -0.451 0.000 2.303 68 Q HA 0.480 4.821 4.340 0.000 0.000 0.257 68 Q C -1.150 174.506 176.000 -0.573 0.000 0.941 68 Q CA -0.215 55.290 55.803 -0.497 0.000 0.931 68 Q CB 1.513 29.996 28.738 -0.425 0.000 1.215 68 Q HN 0.734 nan 8.270 nan 0.000 0.437 69 F N 3.419 123.263 119.950 -0.176 0.000 2.461 69 F HA 0.244 4.771 4.527 0.000 0.000 0.321 69 F C -0.575 175.155 175.800 -0.115 0.000 1.203 69 F CA -0.767 57.194 58.000 -0.064 0.000 1.238 69 F CB 0.222 39.252 39.000 0.050 0.000 1.528 69 F HN 0.315 nan 8.300 nan 0.000 0.554 70 L N 1.505 122.695 121.223 -0.056 0.000 2.361 70 L HA 0.541 4.881 4.340 0.000 0.000 0.278 70 L C 1.015 177.866 176.870 -0.031 0.000 1.113 70 L CA -0.167 54.637 54.840 -0.059 0.000 0.849 70 L CB 0.061 42.063 42.059 -0.096 0.000 1.155 70 L HN 0.632 nan 8.230 nan 0.000 0.452 71 G N 2.261 111.052 108.800 -0.015 0.000 2.370 71 G HA2 -0.062 3.898 3.960 0.000 0.000 0.268 71 G HA3 -0.062 3.898 3.960 0.000 0.000 0.268 71 G C -0.232 174.627 174.900 -0.069 0.000 1.122 71 G CA -0.172 44.873 45.100 -0.091 0.000 0.963 71 G HN 0.845 nan 8.290 nan 0.000 0.500 72 V N -1.647 118.278 119.914 0.018 0.000 2.539 72 V HA 0.945 5.065 4.120 0.000 0.000 0.292 72 V C -1.650 174.451 176.094 0.011 0.000 1.045 72 V CA -2.355 59.936 62.300 -0.015 0.000 0.945 72 V CB 1.914 33.732 31.823 -0.008 0.000 0.993 72 V HN 0.236 nan 8.190 nan 0.000 0.464 73 P HA 0.310 nan 4.420 nan 0.000 0.277 73 P C -0.962 176.108 177.300 -0.384 0.000 1.240 73 P CA -0.023 62.975 63.100 -0.171 0.000 0.798 73 P CB 0.784 32.410 31.700 -0.124 0.000 0.979 74 Y N -0.318 119.706 120.300 -0.460 0.000 2.437 74 Y HA 0.738 5.288 4.550 0.000 0.000 0.266 74 Y C -0.189 175.598 175.900 -0.187 0.000 1.077 74 Y CA -0.520 57.311 58.100 -0.449 0.000 1.235 74 Y CB 0.240 38.443 38.460 -0.429 0.000 1.303 74 Y HN 0.443 nan 8.280 nan 0.000 0.536 75 A N 1.170 123.664 122.820 -0.543 0.000 2.517 75 A HA 0.555 4.875 4.320 0.000 0.000 0.297 75 A C -0.312 177.030 177.584 -0.403 0.000 1.050 75 A CA -0.486 51.334 52.037 -0.363 0.000 0.694 75 A CB 0.340 19.151 19.000 -0.316 0.000 1.277 75 A HN 0.316 nan 8.150 nan 0.000 0.400 76 T N 2.101 116.506 114.554 -0.248 0.000 2.871 76 T HA 0.362 4.713 4.350 0.000 0.000 0.296 76 T C -2.388 172.172 174.700 -0.234 0.000 0.998 76 T CA -0.681 61.294 62.100 -0.208 0.000 1.162 76 T CB -0.450 68.343 68.868 -0.124 0.000 0.947 76 T HN 0.428 nan 8.240 nan 0.000 0.536 77 P HA 0.009 nan 4.420 nan 0.000 0.255 77 P C -2.069 175.133 177.300 -0.163 0.000 1.141 77 P CA -0.765 62.211 63.100 -0.207 0.000 0.767 77 P CB -0.335 31.290 31.700 -0.125 0.000 0.726 78 P HA 0.168 nan 4.420 nan 0.000 0.212 78 P C -0.531 176.681 177.300 -0.145 0.000 1.816 78 P CA -0.087 62.912 63.100 -0.168 0.000 0.944 78 P CB 0.053 31.630 31.700 -0.206 0.000 1.896 79 L N 0.209 121.369 121.223 -0.105 0.000 2.379 79 L HA 0.591 4.931 4.340 0.000 0.000 0.269 79 L C 1.763 178.601 176.870 -0.053 0.000 1.084 79 L CA 1.025 55.820 54.840 -0.076 0.000 0.802 79 L CB 0.172 42.197 42.059 -0.056 0.000 1.175 79 L HN 0.399 nan 8.230 nan 0.000 0.448 80 G N 1.717 110.499 108.800 -0.029 0.000 2.675 80 G HA2 -0.380 3.580 3.960 0.000 0.000 0.312 80 G HA3 -0.380 3.580 3.960 0.000 0.000 0.312 80 G C 0.933 175.833 174.900 0.000 0.000 1.186 80 G CA 0.816 45.912 45.100 -0.008 0.000 0.965 80 G HN 1.025 nan 8.290 nan 0.000 0.548 81 A N 0.179 122.993 122.820 -0.011 0.000 2.016 81 A HA 0.230 4.550 4.320 0.000 0.000 0.217 81 A C 2.206 179.770 177.584 -0.033 0.000 1.162 81 A CA 1.737 53.768 52.037 -0.010 0.000 0.662 81 A CB -0.250 18.743 19.000 -0.011 0.000 0.812 81 A HN 0.624 nan 8.150 nan 0.000 0.450 82 R N -0.481 119.985 120.500 -0.056 0.000 2.323 82 R HA 0.065 4.405 4.340 0.000 0.000 0.198 82 R C 0.748 176.959 176.300 -0.148 0.000 0.988 82 R CA 0.073 56.117 56.100 -0.093 0.000 1.041 82 R CB -0.185 30.058 30.300 -0.094 0.000 0.926 82 R HN 0.355 nan 8.270 nan 0.000 0.476 83 R N 0.465 120.893 120.500 -0.120 0.000 2.459 83 R HA 0.077 4.417 4.340 0.000 0.000 0.281 83 R C -0.564 175.651 176.300 -0.142 0.000 1.050 83 R CA -0.241 55.739 56.100 -0.199 0.000 1.055 83 R CB 0.353 30.594 30.300 -0.098 0.000 1.045 83 R HN 0.027 nan 8.270 nan 0.000 0.495 84 F N 0.421 120.121 119.950 -0.418 0.000 3.074 84 F HA -0.302 4.225 4.527 -0.000 0.000 0.287 84 F C -0.173 174.981 175.800 -1.076 0.000 0.932 84 F CA 0.976 58.541 58.000 -0.725 0.000 0.995 84 F CB -1.375 37.490 39.000 -0.225 0.000 0.966 84 F HN 0.610 nan 8.300 nan 0.000 0.721 85 Q N -1.195 118.025 119.800 -0.968 0.000 2.472 85 Q HA 0.387 4.727 4.340 0.000 0.000 0.281 85 Q C -2.634 173.184 176.000 -0.303 0.000 0.997 85 Q CA -2.107 53.383 55.803 -0.521 0.000 0.828 85 Q CB 2.818 31.439 28.738 -0.196 0.000 1.443 85 Q HN -0.259 nan 8.270 nan 0.000 0.390 86 P HA 0.037 nan 4.420 nan 0.000 0.265 86 P C -2.398 174.912 177.300 0.017 0.000 1.193 86 P CA -0.556 62.594 63.100 0.084 0.000 0.765 86 P CB -0.114 31.668 31.700 0.136 0.000 0.823 87 P HA 0.208 nan 4.420 nan 0.000 0.272 87 P C -0.385 176.935 177.300 0.035 0.000 1.230 87 P CA 0.120 63.222 63.100 0.005 0.000 0.788 87 P CB 1.155 32.873 31.700 0.031 0.000 0.949 88 E N -0.205 120.000 120.200 0.009 0.000 2.504 88 E HA 0.620 4.970 4.350 0.000 0.000 0.235 88 E C -0.464 176.149 176.600 0.022 0.000 0.827 88 E CA -1.078 55.341 56.400 0.032 0.000 0.903 88 E CB 0.519 30.230 29.700 0.017 0.000 1.622 88 E HN 0.486 nan 8.360 nan 0.000 0.392 89 A N 1.641 124.474 122.820 0.022 0.000 2.507 89 A HA 0.286 4.606 4.320 0.000 0.000 0.235 89 A C -2.098 175.383 177.584 -0.171 0.000 1.070 89 A CA -0.582 51.425 52.037 -0.051 0.000 0.768 89 A CB -0.546 18.440 19.000 -0.022 0.000 1.011 89 A HN 0.265 nan 8.150 nan 0.000 0.502 90 P HA 0.401 nan 4.420 nan 0.000 0.293 90 P C -0.197 176.992 177.300 -0.185 0.000 1.304 90 P CA -0.187 62.771 63.100 -0.237 0.000 0.767 90 P CB 0.547 32.131 31.700 -0.193 0.000 1.247 91 A N 0.275 123.082 122.820 -0.022 0.000 2.498 91 A HA 0.232 4.552 4.320 0.000 0.000 0.239 91 A C 0.423 178.151 177.584 0.240 0.000 1.068 91 A CA 0.271 52.366 52.037 0.098 0.000 0.766 91 A CB -0.820 18.265 19.000 0.140 0.000 1.003 91 A HN 0.402 nan 8.150 nan 0.000 0.497 92 S N 2.057 117.862 115.700 0.175 0.000 2.415 92 S HA 0.353 4.823 4.470 0.000 0.000 0.313 92 S C -0.499 174.189 174.600 0.148 0.000 1.067 92 S CA -0.272 58.000 58.200 0.120 0.000 1.099 92 S CB -0.233 63.010 63.200 0.071 0.000 0.991 92 S HN 0.668 nan 8.310 nan 0.000 0.491 93 W N 4.226 125.590 121.300 0.107 0.000 2.322 93 W HA 0.498 5.158 4.660 0.000 0.000 0.307 93 W C -2.511 174.053 176.519 0.075 0.000 1.220 93 W CA -2.193 55.200 57.345 0.080 0.000 1.210 93 W CB -0.336 29.173 29.460 0.082 0.000 1.223 93 W HN 0.348 nan 8.180 nan 0.000 0.511 94 P HA -0.014 nan 4.420 nan 0.000 0.217 94 P C 1.165 178.495 177.300 0.049 0.000 1.151 94 P CA 1.678 64.791 63.100 0.022 0.000 0.828 94 P CB 0.207 31.939 31.700 0.052 0.000 0.788 95 G N -0.403 108.503 108.800 0.177 0.000 2.975 95 G HA2 0.407 4.367 3.960 0.000 0.000 0.159 95 G HA3 0.407 4.367 3.960 0.000 0.000 0.159 95 G C -0.020 175.076 174.900 0.327 0.000 1.525 95 G CA 0.132 45.347 45.100 0.192 0.000 1.075 95 G HN 0.121 nan 8.290 nan 0.000 0.574 96 V N -2.724 117.373 119.914 0.305 0.000 3.406 96 V HA 0.803 4.923 4.120 0.000 0.000 0.305 96 V C -0.187 176.058 176.094 0.252 0.000 1.136 96 V CA -1.225 61.276 62.300 0.336 0.000 1.011 96 V CB 1.323 33.259 31.823 0.188 0.000 1.221 96 V HN 0.577 nan 8.190 nan 0.000 0.454 97 R N 0.208 120.780 120.500 0.121 0.000 2.686 97 R HA 0.430 4.770 4.340 0.000 0.000 0.283 97 R C -0.890 175.394 176.300 -0.026 0.000 0.978 97 R CA -0.737 55.297 56.100 -0.110 0.000 0.897 97 R CB 1.543 31.582 30.300 -0.435 0.000 1.192 97 R HN 0.731 nan 8.270 nan 0.000 0.457 98 N N 1.571 120.235 118.700 -0.061 0.000 3.209 98 N HA 0.112 4.852 4.740 0.000 0.000 0.309 98 N C -0.564 174.917 175.510 -0.049 0.000 1.384 98 N CA -0.015 53.015 53.050 -0.034 0.000 1.173 98 N CB 0.923 39.386 38.487 -0.040 0.000 1.460 98 N HN 0.627 nan 8.380 nan 0.000 0.534 99 A N 0.464 123.276 122.820 -0.014 0.000 2.810 99 A HA 0.063 4.383 4.320 0.000 0.000 0.247 99 A C 1.217 178.799 177.584 -0.002 0.000 1.576 99 A CA -0.126 51.907 52.037 -0.006 0.000 1.294 99 A CB -0.874 18.171 19.000 0.074 0.000 0.976 99 A HN 0.322 nan 8.150 nan 0.000 0.631 100 T N -3.219 111.308 114.554 -0.045 0.000 3.248 100 T HA 0.360 4.710 4.350 0.000 0.000 0.271 100 T C 0.169 174.820 174.700 -0.082 0.000 1.005 100 T CA 0.214 62.270 62.100 -0.072 0.000 0.902 100 T CB -0.109 68.718 68.868 -0.067 0.000 1.102 100 T HN 0.344 nan 8.240 nan 0.000 0.548 101 T N 1.320 115.822 114.554 -0.087 0.000 2.991 101 T HA 0.513 4.863 4.350 0.000 0.000 0.303 101 T C -0.587 174.050 174.700 -0.105 0.000 1.015 101 T CA -0.745 61.299 62.100 -0.094 0.000 1.007 101 T CB 0.921 69.729 68.868 -0.100 0.000 1.034 101 T HN 0.348 nan 8.240 nan 0.000 0.446 102 L N 7.211 128.384 121.223 -0.084 0.000 2.559 102 L HA 0.257 4.597 4.340 0.000 0.000 0.274 102 L C -1.328 175.475 176.870 -0.111 0.000 1.205 102 L CA -1.253 53.547 54.840 -0.067 0.000 0.907 102 L CB 0.501 42.540 42.059 -0.034 0.000 1.153 102 L HN 0.586 nan 8.230 nan 0.000 0.490 103 P HA 0.205 nan 4.420 nan 0.000 0.273 103 P C -2.644 174.589 177.300 -0.111 0.000 1.250 103 P CA -1.284 61.685 63.100 -0.219 0.000 0.793 103 P CB -0.288 31.293 31.700 -0.198 0.000 1.011 104 P HA 0.207 nan 4.420 nan 0.000 0.277 104 P C -0.500 176.807 177.300 0.012 0.000 1.240 104 P CA -0.242 62.835 63.100 -0.038 0.000 0.798 104 P CB 0.534 32.213 31.700 -0.035 0.000 0.979 105 A N 1.684 124.505 122.820 0.002 0.000 2.296 105 A HA 0.299 4.619 4.320 0.000 0.000 0.264 105 A C 0.274 177.859 177.584 0.001 0.000 1.097 105 A CA -0.313 51.726 52.037 0.004 0.000 0.811 105 A CB -0.270 18.726 19.000 -0.007 0.000 1.072 105 A HN 0.648 nan 8.150 nan 0.000 0.495 106 c N 0.884 119.477 118.600 -0.012 0.000 2.539 106 c HA 0.432 5.002 4.570 0.000 0.000 0.392 106 c C -2.155 171.915 174.090 -0.032 0.000 1.269 106 c CA -0.610 55.700 56.329 -0.032 0.000 2.250 106 c CB 0.157 42.628 42.510 -0.064 0.000 2.584 106 c HN 0.615 nan 8.230 nan 0.000 0.589 107 P HA 0.042 nan 4.420 nan 0.000 0.255 107 P C -0.708 176.577 177.300 -0.025 0.000 1.173 107 P CA 0.908 63.988 63.100 -0.032 0.000 0.780 107 P CB -0.102 31.570 31.700 -0.046 0.000 0.758 108 Q N 2.032 121.825 119.800 -0.012 0.000 2.435 108 Q HA 0.507 4.848 4.340 0.000 0.000 0.282 108 Q C -1.528 174.473 176.000 0.000 0.000 1.020 108 Q CA -1.130 54.672 55.803 -0.002 0.000 0.820 108 Q CB 1.645 30.387 28.738 0.007 0.000 1.436 108 Q HN 0.081 nan 8.270 nan 0.000 0.395 109 N N 2.035 120.737 118.700 0.004 0.000 2.524 109 N HA 0.302 5.042 4.740 0.000 0.000 0.261 109 N C -0.417 175.079 175.510 -0.023 0.000 0.998 109 N CA -0.501 52.550 53.050 0.003 0.000 0.915 109 N CB 1.106 39.608 38.487 0.025 0.000 1.187 109 N HN 0.831 nan 8.380 nan 0.000 0.507 110 L N 1.444 122.607 121.223 -0.100 0.000 2.341 110 L HA 0.104 4.444 4.340 0.000 0.000 0.214 110 L C 0.132 176.842 176.870 -0.267 0.000 1.115 110 L CA 0.542 55.268 54.840 -0.191 0.000 0.820 110 L CB -0.146 41.738 42.059 -0.291 0.000 0.944 110 L HN 0.560 nan 8.230 nan 0.000 0.452 111 H N 0.682 119.778 119.070 0.044 0.000 2.690 111 H HA 0.532 5.088 4.556 0.000 0.000 0.280 111 H C 0.288 175.635 175.328 0.031 0.000 1.138 111 H CA 0.239 56.308 56.048 0.034 0.000 1.241 111 H CB 0.652 30.427 29.762 0.023 0.000 1.394 111 H HN 0.198 nan 8.280 nan 0.000 0.489 112 G N 1.156 110.027 108.800 0.118 0.000 2.640 112 G HA2 0.241 4.201 3.960 0.000 0.000 0.686 112 G HA3 0.241 4.201 3.960 0.000 0.000 0.686 112 G C 0.116 175.050 174.900 0.056 0.000 1.229 112 G CA -0.521 44.627 45.100 0.080 0.000 0.796 112 G HN 1.065 nan 8.290 nan 0.000 0.654 113 A N -0.120 122.730 122.820 0.049 0.000 2.846 113 A HA -0.010 4.310 4.320 0.000 0.000 0.287 113 A C 0.746 178.343 177.584 0.022 0.000 1.469 113 A CA 1.387 53.449 52.037 0.042 0.000 0.757 113 A CB -2.037 16.998 19.000 0.058 0.000 1.033 113 A HN 2.092 nan 8.150 nan 0.000 0.516 114 L N -0.054 121.179 121.223 0.017 0.000 2.385 114 L HA 0.358 4.698 4.340 0.000 0.000 0.281 114 L C -1.846 175.010 176.870 -0.022 0.000 1.106 114 L CA -1.022 53.816 54.840 -0.004 0.000 0.856 114 L CB -0.562 41.505 42.059 0.015 0.000 1.186 114 L HN 0.272 nan 8.230 nan 0.000 0.453 115 P HA 0.287 nan 4.420 nan 0.000 0.219 115 P C 0.786 178.031 177.300 -0.091 0.000 1.832 115 P CA -0.319 62.739 63.100 -0.070 0.000 1.014 115 P CB 0.753 32.395 31.700 -0.096 0.000 1.939 116 A N 1.736 124.528 122.820 -0.047 0.000 2.172 116 A HA -0.099 4.221 4.320 0.000 0.000 0.216 116 A C 1.735 179.312 177.584 -0.011 0.000 1.154 116 A CA 0.852 52.866 52.037 -0.037 0.000 0.701 116 A CB -0.767 18.234 19.000 0.002 0.000 0.789 116 A HN 0.319 nan 8.150 nan 0.000 0.465 117 I N -1.693 118.892 120.570 0.025 0.000 2.406 117 I HA -0.126 4.044 4.170 0.000 0.000 0.249 117 I C 2.377 178.515 176.117 0.036 0.000 1.122 117 I CA 1.044 62.420 61.300 0.125 0.000 1.431 117 I CB -1.369 36.797 38.000 0.277 0.000 1.087 117 I HN 0.320 nan 8.210 nan 0.000 0.424 118 M N 0.646 120.133 119.600 -0.188 0.000 2.156 118 M HA -0.007 4.473 4.480 0.000 0.000 0.264 118 M C 0.968 176.971 176.300 -0.495 0.000 1.067 118 M CA 0.971 55.953 55.300 -0.530 0.000 1.131 118 M CB 0.125 32.337 32.600 -0.646 0.000 1.368 118 M HN 0.056 nan 8.290 nan 0.000 0.416 119 L N 1.061 122.067 121.223 -0.361 0.000 2.483 119 L HA 0.063 4.403 4.340 0.000 0.000 0.275 119 L C -2.068 174.659 176.870 -0.240 0.000 1.220 119 L CA -1.753 52.854 54.840 -0.387 0.000 0.833 119 L CB -0.627 41.161 42.059 -0.451 0.000 1.102 119 L HN -0.075 nan 8.230 nan 0.000 0.490 120 P HA -0.031 nan 4.420 nan 0.000 0.265 120 P C 0.827 177.942 177.300 -0.309 0.000 1.193 120 P CA -0.080 62.924 63.100 -0.160 0.000 0.765 120 P CB 0.682 32.048 31.700 -0.558 0.000 0.823 121 V N 4.375 124.259 119.914 -0.050 0.000 2.392 121 V HA -0.215 3.905 4.120 0.000 0.000 0.249 121 V C 1.950 178.078 176.094 0.056 0.000 1.059 121 V CA 1.779 64.098 62.300 0.031 0.000 1.051 121 V CB -1.248 30.646 31.823 0.118 0.000 0.658 121 V HN 0.769 nan 8.190 nan 0.000 0.455 122 W N -1.260 120.157 121.300 0.194 0.000 2.387 122 W HA -0.224 4.436 4.660 0.000 0.000 0.272 122 W C 2.215 178.760 176.519 0.043 0.000 1.224 122 W CA 0.782 58.196 57.345 0.115 0.000 1.210 122 W CB -1.241 28.311 29.460 0.154 0.000 1.125 122 W HN 0.305 nan 8.180 nan 0.000 0.572 123 F N 2.965 122.606 119.950 -0.516 0.000 2.060 123 F HA -0.190 4.337 4.527 -0.000 0.000 0.295 123 F C 2.704 178.397 175.800 -0.178 0.000 1.120 123 F CA 3.208 60.930 58.000 -0.464 0.000 1.205 123 F CB -0.508 38.048 39.000 -0.741 0.000 0.986 123 F HN -0.271 nan 8.300 nan 0.000 0.470 124 T N -0.829 113.801 114.554 0.126 0.000 2.904 124 T HA -0.146 4.204 4.350 0.000 0.000 0.267 124 T C 1.305 176.041 174.700 0.059 0.000 1.059 124 T CA 1.354 63.514 62.100 0.099 0.000 1.137 124 T CB -0.393 68.509 68.868 0.057 0.000 0.879 124 T HN 0.161 nan 8.240 nan 0.000 0.467 125 D N 1.760 122.194 120.400 0.058 0.000 2.144 125 D HA -0.027 4.613 4.640 0.000 0.000 0.199 125 D C 0.812 177.130 176.300 0.030 0.000 0.984 125 D CA 1.049 55.079 54.000 0.052 0.000 0.834 125 D CB -0.247 40.600 40.800 0.078 0.000 0.955 125 D HN 0.333 nan 8.370 nan 0.000 0.465 126 N N -0.376 118.332 118.700 0.013 0.000 2.660 126 N HA 0.240 4.980 4.740 0.000 0.000 0.316 126 N C 0.822 176.285 175.510 -0.079 0.000 1.774 126 N CA -0.081 52.953 53.050 -0.027 0.000 0.946 126 N CB 0.653 39.116 38.487 -0.040 0.000 1.322 126 N HN -0.036 nan 8.380 nan 0.000 0.492 127 L N -0.108 121.086 121.223 -0.048 0.000 2.089 127 L HA -0.264 4.076 4.340 0.000 0.000 0.213 127 L C 2.331 179.184 176.870 -0.028 0.000 1.079 127 L CA 1.417 56.224 54.840 -0.055 0.000 0.758 127 L CB -0.070 42.018 42.059 0.048 0.000 0.891 127 L HN 0.391 nan 8.230 nan 0.000 0.433 128 E N 0.095 120.298 120.200 0.006 0.000 2.055 128 E HA -0.313 4.037 4.350 0.000 0.000 0.209 128 E C 2.072 178.662 176.600 -0.017 0.000 1.036 128 E CA 2.125 58.532 56.400 0.012 0.000 0.849 128 E CB -0.259 29.440 29.700 -0.003 0.000 0.767 128 E HN 0.440 nan 8.360 nan 0.000 0.461 129 A N 0.217 123.012 122.820 -0.042 0.000 2.015 129 A HA 0.048 4.368 4.320 0.000 0.000 0.219 129 A C 2.345 179.926 177.584 -0.005 0.000 1.163 129 A CA 1.764 53.782 52.037 -0.032 0.000 0.646 129 A CB -0.810 18.166 19.000 -0.039 0.000 0.806 129 A HN 0.408 nan 8.150 nan 0.000 0.448 130 A N 0.115 122.856 122.820 -0.131 0.000 1.902 130 A HA 0.134 4.454 4.320 0.000 0.000 0.217 130 A C 2.431 179.949 177.584 -0.110 0.000 1.181 130 A CA 1.920 53.793 52.037 -0.273 0.000 0.623 130 A CB -0.940 17.638 19.000 -0.704 0.000 0.818 130 A HN 1.083 nan 8.150 nan 0.000 0.443 131 A N -0.851 121.922 122.820 -0.078 0.000 2.070 131 A HA -0.044 4.276 4.320 0.000 0.000 0.220 131 A C 2.170 179.747 177.584 -0.012 0.000 1.159 131 A CA 2.077 54.091 52.037 -0.038 0.000 0.656 131 A CB -1.099 17.919 19.000 0.030 0.000 0.800 131 A HN 0.468 nan 8.150 nan 0.000 0.453 132 T N -1.084 113.456 114.554 -0.023 0.000 2.788 132 T HA -0.146 4.204 4.350 0.000 0.000 0.268 132 T C 1.405 175.984 174.700 -0.201 0.000 1.044 132 T CA 1.671 63.683 62.100 -0.147 0.000 1.139 132 T CB -0.449 68.248 68.868 -0.286 0.000 0.867 132 T HN 0.633 nan 8.240 nan 0.000 0.454 133 Y N 1.207 121.427 120.300 -0.134 0.000 2.546 133 Y HA 0.194 4.744 4.550 -0.000 0.000 0.287 133 Y C 1.898 177.736 175.900 -0.103 0.000 1.158 133 Y CA -0.315 57.707 58.100 -0.131 0.000 1.307 133 Y CB -0.096 38.257 38.460 -0.178 0.000 1.036 133 Y HN 0.154 nan 8.280 nan 0.000 0.532 134 V N -3.961 115.978 119.914 0.042 0.000 2.988 134 V HA 0.234 4.354 4.120 0.000 0.000 0.356 134 V C 0.981 177.069 176.094 -0.009 0.000 1.380 134 V CA -0.268 62.039 62.300 0.012 0.000 1.184 134 V CB -0.008 31.823 31.823 0.014 0.000 1.204 134 V HN 0.156 nan 8.190 nan 0.000 0.530 135 Q N 1.419 121.204 119.800 -0.026 0.000 1.969 135 Q HA 0.072 4.412 4.340 0.000 0.000 0.198 135 Q C 0.602 176.584 176.000 -0.028 0.000 0.978 135 Q CA 1.407 57.194 55.803 -0.028 0.000 0.830 135 Q CB -0.065 28.646 28.738 -0.046 0.000 0.896 135 Q HN 0.747 nan 8.270 nan 0.000 0.431 136 N N 2.352 121.028 118.700 -0.040 0.000 2.400 136 N HA -0.007 4.733 4.740 0.000 0.000 0.267 136 N C -1.036 174.455 175.510 -0.031 0.000 1.208 136 N CA -0.082 52.944 53.050 -0.040 0.000 0.951 136 N CB 0.214 38.669 38.487 -0.055 0.000 1.227 136 N HN 0.211 nan 8.380 nan 0.000 0.488 137 Q N 0.355 120.141 119.800 -0.024 0.000 2.289 137 Q HA 0.582 4.922 4.340 0.000 0.000 0.270 137 Q C -1.533 174.458 176.000 -0.015 0.000 1.038 137 Q CA -0.939 54.854 55.803 -0.016 0.000 0.812 137 Q CB 1.807 30.537 28.738 -0.012 0.000 1.300 137 Q HN 0.133 nan 8.270 nan 0.000 0.427 138 S N 0.852 116.546 115.700 -0.010 0.000 2.632 138 S HA 0.195 4.665 4.470 0.000 0.000 0.289 138 S C 0.219 174.809 174.600 -0.016 0.000 1.115 138 S CA -0.790 57.404 58.200 -0.011 0.000 0.889 138 S CB 1.817 65.015 63.200 -0.005 0.000 1.116 138 S HN 0.823 nan 8.310 nan 0.000 0.486 139 E N 0.545 120.727 120.200 -0.030 0.000 2.265 139 E HA -0.162 4.188 4.350 0.000 0.000 0.196 139 E C -0.176 176.387 176.600 -0.062 0.000 0.996 139 E CA 0.700 57.066 56.400 -0.056 0.000 0.832 139 E CB 0.130 29.793 29.700 -0.061 0.000 0.756 139 E HN 0.497 nan 8.360 nan 0.000 0.491 140 D N -0.477 119.906 120.400 -0.027 0.000 2.374 140 D HA -0.006 4.634 4.640 0.000 0.000 0.240 140 D C -0.132 176.220 176.300 0.087 0.000 1.229 140 D CA -0.245 53.751 54.000 -0.006 0.000 0.895 140 D CB 0.374 41.200 40.800 0.043 0.000 1.046 140 D HN 0.155 nan 8.370 nan 0.000 0.498 141 c N 2.669 121.269 118.600 0.000 0.000 3.935 141 c HA 0.336 4.906 4.570 0.000 0.000 0.301 141 c C 0.660 174.720 174.090 -0.050 0.000 1.874 141 c CA -0.677 55.721 56.329 0.114 0.000 1.723 141 c CB -1.423 41.121 42.510 0.057 0.000 3.192 141 c HN 0.475 nan 8.230 nan 0.000 0.577 142 L N 2.619 123.582 121.223 -0.434 0.000 2.505 142 L HA 0.286 4.627 4.340 0.000 0.000 0.275 142 L C -0.732 175.444 176.870 -1.158 0.000 1.264 142 L CA 0.924 55.316 54.840 -0.747 0.000 1.148 142 L CB -0.747 40.802 42.059 -0.850 0.000 1.377 142 L HN 0.448 nan 8.230 nan 0.000 0.442 143 Y N 1.884 122.060 120.300 -0.207 0.000 2.615 143 Y HA 0.644 5.194 4.550 -0.000 0.000 0.341 143 Y C -0.490 175.546 175.900 0.226 0.000 1.089 143 Y CA -0.940 57.124 58.100 -0.061 0.000 1.049 143 Y CB 2.336 40.753 38.460 -0.071 0.000 1.296 143 Y HN 0.131 nan 8.280 nan 0.000 0.470 144 L N 2.055 123.468 121.223 0.315 0.000 2.431 144 L HA 0.623 4.963 4.340 0.000 0.000 0.266 144 L C -1.692 175.256 176.870 0.129 0.000 0.978 144 L CA -0.564 54.397 54.840 0.202 0.000 0.822 144 L CB 1.520 43.606 42.059 0.046 0.000 1.310 144 L HN 0.629 nan 8.230 nan 0.000 0.409 145 N N 4.792 123.600 118.700 0.181 0.000 2.456 145 N HA 0.672 5.412 4.740 0.000 0.000 0.296 145 N C -1.391 174.238 175.510 0.199 0.000 1.102 145 N CA -0.251 52.907 53.050 0.180 0.000 0.924 145 N CB 2.278 40.946 38.487 0.302 0.000 1.186 145 N HN 0.517 nan 8.380 nan 0.000 0.492 146 L N 2.018 123.314 121.223 0.121 0.000 2.406 146 L HA 0.383 4.723 4.340 0.000 0.000 0.272 146 L C -1.262 175.684 176.870 0.127 0.000 0.980 146 L CA -0.680 54.256 54.840 0.161 0.000 0.831 146 L CB 1.387 43.420 42.059 -0.043 0.000 1.253 146 L HN 0.483 nan 8.230 nan 0.000 0.406 147 Y N 3.213 123.626 120.300 0.188 0.000 2.491 147 Y HA 0.454 5.004 4.550 0.000 0.000 0.334 147 Y C -0.099 175.910 175.900 0.182 0.000 0.969 147 Y CA -0.846 57.357 58.100 0.171 0.000 1.241 147 Y CB 1.506 40.056 38.460 0.149 0.000 1.105 147 Y HN 0.162 nan 8.280 nan 0.000 0.503 148 V N 5.907 126.000 119.914 0.299 0.000 2.459 148 V HA 0.468 4.588 4.120 0.000 0.000 0.295 148 V C -2.372 173.850 176.094 0.212 0.000 1.029 148 V CA -2.317 60.157 62.300 0.290 0.000 0.874 148 V CB 1.720 33.806 31.823 0.439 0.000 0.985 148 V HN 0.484 nan 8.190 nan 0.000 0.438 149 P HA 0.575 nan 4.420 nan 0.000 0.292 149 P C -0.637 176.727 177.300 0.107 0.000 1.283 149 P CA -0.186 62.984 63.100 0.116 0.000 0.835 149 P CB 1.699 33.451 31.700 0.086 0.000 1.017 177 K N 1.345 121.762 120.400 0.030 0.000 2.180 177 K HA 0.289 4.609 4.320 0.000 0.000 0.251 177 K C -2.290 174.330 176.600 0.034 0.000 1.014 177 K CA -1.678 54.629 56.287 0.033 0.000 0.913 177 K CB 0.251 32.784 32.500 0.055 0.000 1.008 177 K HN 0.082 nan 8.250 nan 0.000 0.490 178 P HA 0.158 nan 4.420 nan 0.000 0.278 178 P C -1.081 176.256 177.300 0.060 0.000 1.258 178 P CA -0.541 62.577 63.100 0.030 0.000 0.811 178 P CB 0.770 32.473 31.700 0.006 0.000 1.063 179 V N 1.741 121.700 119.914 0.075 0.000 2.540 179 V HA 0.455 4.575 4.120 0.000 0.000 0.302 179 V C 0.068 176.244 176.094 0.136 0.000 1.035 179 V CA -0.357 62.010 62.300 0.112 0.000 0.873 179 V CB 1.383 33.276 31.823 0.116 0.000 0.992 179 V HN 0.454 nan 8.190 nan 0.000 0.428 180 M N 5.653 125.361 119.600 0.180 0.000 2.018 180 M HA 0.420 4.900 4.480 0.000 0.000 0.311 180 M C -1.008 175.541 176.300 0.414 0.000 0.928 180 M CA -0.394 55.067 55.300 0.268 0.000 0.911 180 M CB 1.615 34.301 32.600 0.142 0.000 1.447 180 M HN 0.436 nan 8.290 nan 0.000 0.407 181 L N 4.691 126.112 121.223 0.330 0.000 2.278 181 L HA 0.393 4.733 4.340 0.000 0.000 0.287 181 L C -1.408 175.568 176.870 0.178 0.000 1.072 181 L CA 0.029 55.008 54.840 0.232 0.000 0.819 181 L CB 0.353 42.465 42.059 0.088 0.000 1.176 181 L HN 0.638 nan 8.230 nan 0.000 0.435 182 F N 6.423 126.336 119.950 -0.062 0.000 2.404 182 F HA 0.379 4.906 4.527 -0.000 0.000 0.358 182 F C -0.693 174.952 175.800 -0.259 0.000 1.120 182 F CA -0.767 56.925 58.000 -0.514 0.000 1.144 182 F CB 0.831 39.532 39.000 -0.498 0.000 1.133 182 F HN 0.367 nan 8.300 nan 0.000 0.495 183 L N 7.357 127.983 121.223 -0.994 0.000 2.268 183 L HA 0.257 4.597 4.340 0.000 0.000 0.289 183 L C 0.273 176.445 176.870 -1.162 0.000 1.064 183 L CA -0.443 53.892 54.840 -0.840 0.000 0.824 183 L CB 0.096 41.794 42.059 -0.601 0.000 1.202 183 L HN 0.713 nan 8.230 nan 0.000 0.433 184 H N 1.457 120.087 119.070 -0.734 0.000 2.211 184 H HA 0.872 5.428 4.556 0.000 0.000 0.327 184 H C 0.756 176.094 175.328 0.016 0.000 1.722 184 H CA -0.226 55.623 56.048 -0.331 0.000 1.437 184 H CB 0.439 30.382 29.762 0.301 0.000 1.716 184 H HN 0.618 nan 8.280 nan 0.000 0.618 185 G N -2.659 106.393 108.800 0.419 0.000 2.217 185 G HA2 0.358 4.318 3.960 0.000 0.000 0.173 185 G HA3 0.358 4.318 3.960 0.000 0.000 0.173 185 G C 0.541 175.485 174.900 0.072 0.000 1.324 185 G CA 0.423 45.657 45.100 0.222 0.000 1.225 185 G HN 1.769 nan 8.290 nan 0.000 0.494 186 G N -2.126 106.592 108.800 -0.136 0.000 2.901 186 G HA2 0.314 4.274 3.960 0.000 0.000 0.194 186 G HA3 0.314 4.274 3.960 0.000 0.000 0.194 186 G C 1.092 175.754 174.900 -0.397 0.000 1.020 186 G CA 1.611 46.556 45.100 -0.259 0.000 0.787 186 G HN 2.442 nan 8.290 nan 0.000 0.477 187 S N -1.624 113.866 115.700 -0.350 0.000 2.800 187 S HA 0.341 4.811 4.470 0.000 0.000 0.266 187 S C 1.007 175.541 174.600 -0.111 0.000 1.029 187 S CA 0.978 59.002 58.200 -0.293 0.000 1.302 187 S CB 0.232 63.292 63.200 -0.233 0.000 1.212 187 S HN 1.266 nan 8.310 nan 0.000 0.683 188 Y N 0.396 120.651 120.300 -0.075 0.000 4.784 188 Y HA -0.298 4.252 4.550 -0.000 0.000 0.278 188 Y C 1.464 177.427 175.900 0.105 0.000 0.980 188 Y CA 1.532 59.617 58.100 -0.026 0.000 1.845 188 Y CB -1.987 36.282 38.460 -0.317 0.000 1.177 188 Y HN 0.390 nan 8.280 nan 0.000 0.460 189 M N -0.717 118.977 119.600 0.156 0.000 2.638 189 M HA 0.133 4.613 4.480 0.000 0.000 0.256 189 M C 0.645 176.979 176.300 0.057 0.000 1.282 189 M CA 0.707 56.085 55.300 0.130 0.000 1.155 189 M CB 0.440 33.104 32.600 0.107 0.000 1.345 189 M HN 0.151 nan 8.290 nan 0.000 0.523 190 E N 0.591 120.794 120.200 0.005 0.000 2.285 190 E HA 0.767 5.117 4.350 0.000 0.000 0.254 190 E C 0.313 176.969 176.600 0.094 0.000 1.011 190 E CA -0.564 55.844 56.400 0.014 0.000 0.873 190 E CB 0.261 29.913 29.700 -0.081 0.000 1.229 190 E HN 0.236 nan 8.360 nan 0.000 0.422 191 G N -1.390 107.503 108.800 0.154 0.000 2.612 191 G HA2 0.318 4.278 3.960 0.000 0.000 0.686 191 G HA3 0.318 4.278 3.960 0.000 0.000 0.686 191 G C -0.621 174.208 174.900 -0.119 0.000 1.274 191 G CA -0.388 44.820 45.100 0.180 0.000 0.849 191 G HN 0.963 nan 8.290 nan 0.000 0.595 192 T N -1.257 112.996 114.554 -0.502 0.000 2.957 192 T HA 0.623 4.973 4.350 0.000 0.000 0.336 192 T C 1.352 175.708 174.700 -0.573 0.000 1.462 192 T CA 0.774 62.483 62.100 -0.652 0.000 1.073 192 T CB 1.063 69.820 68.868 -0.184 0.000 1.319 192 T HN 2.034 nan 8.240 nan 0.000 0.485 193 G N 2.171 110.808 108.800 -0.271 0.000 2.509 193 G HA2 -0.091 3.869 3.960 0.000 0.000 0.218 193 G HA3 -0.091 3.869 3.960 0.000 0.000 0.218 193 G C 1.129 176.119 174.900 0.151 0.000 1.124 193 G CA 0.380 45.600 45.100 0.199 0.000 0.776 193 G HN 0.704 nan 8.290 nan 0.000 0.547 194 N N 0.092 118.821 118.700 0.047 0.000 2.443 194 N HA -0.035 4.705 4.740 0.000 0.000 0.184 194 N C 1.853 177.337 175.510 -0.044 0.000 1.037 194 N CA 0.547 53.637 53.050 0.066 0.000 0.896 194 N CB -0.243 38.298 38.487 0.090 0.000 0.959 194 N HN 0.338 nan 8.380 nan 0.000 0.442 195 M N -0.619 118.782 119.600 -0.332 0.000 2.132 195 M HA 0.011 4.491 4.480 0.000 0.000 0.263 195 M C -0.532 175.168 176.300 -1.000 0.000 1.065 195 M CA 1.323 56.037 55.300 -0.976 0.000 1.122 195 M CB 0.166 32.020 32.600 -1.244 0.000 1.365 195 M HN -0.121 nan 8.290 nan 0.000 0.411 196 F N 0.436 120.137 119.950 -0.415 0.000 2.332 196 F HA 0.237 4.764 4.527 0.000 0.000 0.368 196 F C -0.245 175.177 175.800 -0.630 0.000 1.110 196 F CA -1.606 55.965 58.000 -0.716 0.000 1.087 196 F CB 0.149 38.395 39.000 -1.257 0.000 1.235 196 F HN -0.094 nan 8.300 nan 0.000 0.470 197 D N 2.774 122.965 120.400 -0.349 0.000 2.383 197 D HA 0.166 4.806 4.640 0.000 0.000 0.245 197 D C 1.130 177.185 176.300 -0.409 0.000 1.263 197 D CA 0.036 53.875 54.000 -0.269 0.000 0.936 197 D CB 0.857 41.604 40.800 -0.087 0.000 1.053 197 D HN 0.711 nan 8.370 nan 0.000 0.507 198 G N 2.506 110.789 108.800 -0.862 0.000 3.332 198 G HA2 -0.046 3.914 3.960 0.000 0.000 0.242 198 G HA3 -0.046 3.914 3.960 0.000 0.000 0.242 198 G C 1.162 175.827 174.900 -0.392 0.000 1.276 198 G CA -0.231 44.527 45.100 -0.570 0.000 0.988 198 G HN 0.442 nan 8.290 nan 0.000 0.517 199 S N -0.181 115.426 115.700 -0.154 0.000 2.377 199 S HA -0.094 4.376 4.470 0.000 0.000 0.223 199 S C 2.462 177.111 174.600 0.081 0.000 1.030 199 S CA 0.890 59.186 58.200 0.160 0.000 0.970 199 S CB 0.015 63.336 63.200 0.202 0.000 0.830 199 S HN 0.242 nan 8.310 nan 0.000 0.473 200 V N 2.041 121.968 119.914 0.022 0.000 2.548 200 V HA -0.010 4.110 4.120 0.000 0.000 0.249 200 V C 2.148 178.245 176.094 0.006 0.000 1.055 200 V CA 1.031 63.330 62.300 -0.001 0.000 1.065 200 V CB -0.688 31.098 31.823 -0.063 0.000 0.681 200 V HN 0.376 nan 8.190 nan 0.000 0.462 201 L N 0.285 121.508 121.223 -0.000 0.000 2.027 201 L HA -0.127 4.213 4.340 0.000 0.000 0.206 201 L C 2.679 179.567 176.870 0.029 0.000 1.074 201 L CA 1.831 56.650 54.840 -0.035 0.000 0.745 201 L CB -0.567 41.417 42.059 -0.126 0.000 0.898 201 L HN 0.371 nan 8.230 nan 0.000 0.433 202 A N -0.349 122.509 122.820 0.064 0.000 1.940 202 A HA -0.188 4.132 4.320 0.000 0.000 0.219 202 A C 2.287 179.921 177.584 0.082 0.000 1.176 202 A CA 1.784 53.880 52.037 0.098 0.000 0.631 202 A CB -0.632 18.474 19.000 0.178 0.000 0.814 202 A HN 0.540 nan 8.150 nan 0.000 0.446 203 A N -2.570 120.300 122.820 0.084 0.000 2.072 203 A HA 0.159 4.479 4.320 0.000 0.000 0.216 203 A C 1.955 179.568 177.584 0.050 0.000 1.156 203 A CA 1.268 53.342 52.037 0.063 0.000 0.701 203 A CB -0.446 18.591 19.000 0.062 0.000 0.816 203 A HN 0.716 nan 8.150 nan 0.000 0.458 204 Y N -0.421 119.838 120.300 -0.069 0.000 2.441 204 Y HA 0.271 4.821 4.550 0.000 0.000 0.288 204 Y C 2.143 177.981 175.900 -0.104 0.000 1.118 204 Y CA 1.020 59.057 58.100 -0.106 0.000 1.215 204 Y CB -0.186 38.200 38.460 -0.124 0.000 1.118 204 Y HN 0.197 nan 8.280 nan 0.000 0.547 205 G N -0.433 108.364 108.800 -0.006 0.000 2.777 205 G HA2 -0.106 3.854 3.960 0.000 0.000 0.211 205 G HA3 -0.106 3.854 3.960 0.000 0.000 0.211 205 G C 0.195 175.037 174.900 -0.096 0.000 1.149 205 G CA 0.371 45.422 45.100 -0.081 0.000 0.785 205 G HN 0.453 nan 8.290 nan 0.000 0.536 206 N N -0.636 118.024 118.700 -0.067 0.000 2.727 206 N HA -0.149 4.591 4.740 0.000 0.000 0.251 206 N C -0.733 174.776 175.510 -0.002 0.000 1.040 206 N CA 0.909 53.938 53.050 -0.035 0.000 0.712 206 N CB -1.046 37.402 38.487 -0.066 0.000 0.912 206 N HN 0.186 nan 8.380 nan 0.000 0.545 207 V N 0.816 120.745 119.914 0.025 0.000 3.007 207 V HA 0.495 4.615 4.120 0.000 0.000 0.311 207 V C 0.563 176.712 176.094 0.091 0.000 1.120 207 V CA -0.770 61.556 62.300 0.043 0.000 0.980 207 V CB 2.672 34.505 31.823 0.018 0.000 1.033 207 V HN 0.084 nan 8.190 nan 0.000 0.429 208 I N 2.764 123.402 120.570 0.113 0.000 2.322 208 I HA 0.266 4.436 4.170 0.000 0.000 0.292 208 I C -0.368 175.862 176.117 0.188 0.000 1.060 208 I CA -0.268 61.129 61.300 0.163 0.000 1.309 208 I CB 1.205 39.299 38.000 0.157 0.000 1.415 208 I HN 0.263 nan 8.210 nan 0.000 0.492 209 V N 7.541 127.600 119.914 0.242 0.000 2.439 209 V HA 0.472 4.592 4.120 0.000 0.000 0.282 209 V C 0.442 176.757 176.094 0.369 0.000 1.039 209 V CA -0.574 61.897 62.300 0.285 0.000 0.913 209 V CB 1.458 33.417 31.823 0.227 0.000 0.983 209 V HN 0.518 nan 8.190 nan 0.000 0.460 210 V N 3.964 124.097 119.914 0.366 0.000 2.380 210 V HA 0.707 4.827 4.120 0.000 0.000 0.286 210 V C 0.331 176.640 176.094 0.360 0.000 1.015 210 V CA -0.472 62.035 62.300 0.345 0.000 0.834 210 V CB 1.617 33.590 31.823 0.249 0.000 1.009 210 V HN 0.856 nan 8.190 nan 0.000 0.428 211 T N 2.965 117.758 114.554 0.397 0.000 2.847 211 T HA 0.866 5.216 4.350 0.000 0.000 0.279 211 T C 0.042 174.942 174.700 0.333 0.000 0.984 211 T CA 0.126 62.470 62.100 0.406 0.000 0.988 211 T CB 1.832 70.947 68.868 0.412 0.000 1.040 211 T HN 1.774 nan 8.240 nan 0.000 0.528 212 L N -1.345 120.096 121.223 0.364 0.000 2.510 212 L HA 0.813 5.153 4.340 0.000 0.000 0.252 212 L C -1.764 175.377 176.870 0.452 0.000 1.091 212 L CA -1.338 53.707 54.840 0.342 0.000 0.888 212 L CB 2.207 44.394 42.059 0.213 0.000 1.507 212 L HN 0.484 nan 8.230 nan 0.000 0.407 213 N N 0.261 119.230 118.700 0.450 0.000 2.249 213 N HA 0.597 5.337 4.740 0.000 0.000 0.296 213 N C -1.983 173.780 175.510 0.422 0.000 1.051 213 N CA -0.165 53.136 53.050 0.418 0.000 0.815 213 N CB 2.113 40.754 38.487 0.257 0.000 1.487 213 N HN 0.718 nan 8.380 nan 0.000 0.475 214 Y N -1.346 119.094 120.300 0.234 0.000 2.504 214 Y HA 0.558 5.108 4.550 0.000 0.000 0.344 214 Y C 0.053 175.994 175.900 0.069 0.000 1.023 214 Y CA -1.212 56.963 58.100 0.124 0.000 1.020 214 Y CB 0.906 39.406 38.460 0.066 0.000 1.282 214 Y HN 0.196 nan 8.280 nan 0.000 0.454 215 R N 2.361 122.877 120.500 0.026 0.000 2.638 215 R HA 0.257 4.597 4.340 0.000 0.000 0.268 215 R C -1.095 175.154 176.300 -0.084 0.000 1.006 215 R CA 0.218 56.260 56.100 -0.096 0.000 1.088 215 R CB 0.259 30.467 30.300 -0.155 0.000 0.950 215 R HN 0.747 nan 8.270 nan 0.000 0.419 216 L N 3.251 124.442 121.223 -0.054 0.000 2.318 216 L HA 0.244 4.584 4.340 0.000 0.000 0.277 216 L C 1.283 178.266 176.870 0.189 0.000 1.008 216 L CA -0.193 54.708 54.840 0.102 0.000 0.846 216 L CB 1.510 43.577 42.059 0.013 0.000 1.220 216 L HN 1.027 nan 8.230 nan 0.000 0.423 217 G N 2.267 111.400 108.800 0.555 0.000 2.774 217 G HA2 -0.406 3.554 3.960 0.000 0.000 0.342 217 G HA3 -0.406 3.554 3.960 0.000 0.000 0.342 217 G C 1.073 176.044 174.900 0.119 0.000 1.185 217 G CA 0.812 46.215 45.100 0.506 0.000 0.956 217 G HN 0.392 nan 8.290 nan 0.000 0.561 218 V N 0.062 119.859 119.914 -0.194 0.000 2.363 218 V HA -0.181 3.939 4.120 0.000 0.000 0.254 218 V C 2.671 178.607 176.094 -0.262 0.000 1.074 218 V CA 2.895 64.832 62.300 -0.605 0.000 1.069 218 V CB -0.667 30.925 31.823 -0.386 0.000 0.659 218 V HN 0.573 nan 8.190 nan 0.000 0.455 219 L N -0.288 120.847 121.223 -0.146 0.000 2.642 219 L HA 0.450 4.790 4.340 0.000 0.000 0.233 219 L C 2.034 178.720 176.870 -0.308 0.000 1.077 219 L CA 1.301 55.998 54.840 -0.239 0.000 0.879 219 L CB 0.166 42.084 42.059 -0.235 0.000 1.151 219 L HN 0.247 nan 8.230 nan 0.000 0.495 220 G N -2.030 106.668 108.800 -0.169 0.000 3.020 220 G HA2 0.028 3.988 3.960 0.000 0.000 0.217 220 G HA3 0.028 3.988 3.960 0.000 0.000 0.217 220 G C 0.450 175.032 174.900 -0.529 0.000 1.144 220 G CA 0.128 45.034 45.100 -0.323 0.000 0.760 220 G HN 0.287 nan 8.290 nan 0.000 0.548 221 F N -0.190 119.824 119.950 0.106 0.000 2.880 221 F HA 0.440 4.968 4.527 0.000 0.000 0.328 221 F C 0.389 176.303 175.800 0.190 0.000 1.146 221 F CA -0.974 57.073 58.000 0.079 0.000 1.135 221 F CB 0.410 39.444 39.000 0.057 0.000 1.151 221 F HN -0.090 nan 8.300 nan 0.000 0.523 222 L N 0.970 122.445 121.223 0.420 0.000 2.456 222 L HA 0.478 4.818 4.340 0.000 0.000 0.272 222 L C 0.293 177.385 176.870 0.371 0.000 1.189 222 L CA 0.426 55.565 54.840 0.498 0.000 0.846 222 L CB 0.888 43.285 42.059 0.563 0.000 1.111 222 L HN 0.121 nan 8.230 nan 0.000 0.475 223 S N 1.891 117.759 115.700 0.281 0.000 2.533 223 S HA 0.583 5.053 4.470 0.000 0.000 0.271 223 S C -0.639 174.031 174.600 0.117 0.000 1.143 223 S CA -0.291 58.002 58.200 0.155 0.000 0.891 223 S CB 1.483 64.725 63.200 0.071 0.000 1.105 223 S HN 0.843 nan 8.310 nan 0.000 0.468 224 T N 0.951 115.553 114.554 0.080 0.000 2.943 224 T HA 0.563 4.913 4.350 0.000 0.000 0.284 224 T C 1.603 176.324 174.700 0.034 0.000 1.015 224 T CA -0.101 62.028 62.100 0.049 0.000 1.042 224 T CB 0.948 69.836 68.868 0.033 0.000 1.055 224 T HN 0.916 nan 8.240 nan 0.000 0.500 225 G N 0.006 108.819 108.800 0.022 0.000 2.549 225 G HA2 -0.165 3.796 3.960 0.000 0.000 0.222 225 G HA3 -0.165 3.796 3.960 0.000 0.000 0.222 225 G C 0.773 175.681 174.900 0.013 0.000 1.100 225 G CA 1.110 46.218 45.100 0.013 0.000 0.739 225 G HN 0.839 nan 8.290 nan 0.000 0.577 226 D N -3.257 117.155 120.400 0.020 0.000 2.769 226 D HA 0.068 4.708 4.640 0.000 0.000 0.155 226 D C 1.998 178.319 176.300 0.034 0.000 1.479 226 D CA 0.124 54.137 54.000 0.023 0.000 1.511 226 D CB 0.091 40.903 40.800 0.020 0.000 1.634 226 D HN 0.052 nan 8.370 nan 0.000 0.282 227 Q N 0.043 119.868 119.800 0.040 0.000 2.599 227 Q HA 0.404 4.744 4.340 0.000 0.000 0.229 227 Q C 1.890 177.930 176.000 0.066 0.000 0.800 227 Q CA 0.878 56.712 55.803 0.051 0.000 0.937 227 Q CB -0.361 28.402 28.738 0.042 0.000 1.285 227 Q HN 0.197 nan 8.270 nan 0.000 0.600 228 A N 1.554 124.404 122.820 0.050 0.000 1.958 228 A HA 0.039 4.359 4.320 0.000 0.000 0.221 228 A C 1.028 178.659 177.584 0.079 0.000 1.178 228 A CA 1.813 53.877 52.037 0.045 0.000 0.642 228 A CB -0.240 18.770 19.000 0.016 0.000 0.816 228 A HN 0.265 nan 8.150 nan 0.000 0.453 229 A N -1.372 121.514 122.820 0.109 0.000 2.499 229 A HA 0.583 4.904 4.320 0.000 0.000 0.280 229 A C 0.491 178.174 177.584 0.165 0.000 1.135 229 A CA -0.480 51.687 52.037 0.216 0.000 0.744 229 A CB 0.917 20.037 19.000 0.199 0.000 1.213 229 A HN 0.219 nan 8.150 nan 0.000 0.434 230 K N 1.496 122.004 120.400 0.180 0.000 2.167 230 K HA 0.288 4.608 4.320 0.000 0.000 0.203 230 K C 1.141 177.662 176.600 -0.131 0.000 1.052 230 K CA 0.989 57.298 56.287 0.037 0.000 0.956 230 K CB 0.040 32.580 32.500 0.066 0.000 0.735 230 K HN 1.501 nan 8.250 nan 0.000 0.451 231 G N 1.285 109.831 108.800 -0.423 0.000 2.610 231 G HA2 -0.237 3.723 3.960 0.000 0.000 0.304 231 G HA3 -0.237 3.723 3.960 0.000 0.000 0.304 231 G C -0.712 173.644 174.900 -0.906 0.000 1.309 231 G CA -0.425 44.285 45.100 -0.650 0.000 0.906 231 G HN 0.222 nan 8.290 nan 0.000 0.521 232 N N -1.639 116.792 118.700 -0.448 0.000 2.735 232 N HA -0.201 4.540 4.740 0.000 0.000 0.248 232 N C 0.692 175.994 175.510 -0.347 0.000 1.083 232 N CA 1.788 54.709 53.050 -0.215 0.000 0.703 232 N CB -1.427 36.993 38.487 -0.112 0.000 1.005 232 N HN 0.691 nan 8.380 nan 0.000 0.550 233 Y N -0.775 119.384 120.300 -0.234 0.000 2.314 233 Y HA 0.082 4.632 4.550 0.000 0.000 0.293 233 Y C 2.483 178.187 175.900 -0.326 0.000 1.129 233 Y CA 1.148 59.107 58.100 -0.236 0.000 1.201 233 Y CB -0.596 37.731 38.460 -0.222 0.000 0.999 233 Y HN 0.282 nan 8.280 nan 0.000 0.541 234 G N -0.031 108.401 108.800 -0.614 0.000 2.422 234 G HA2 -0.194 3.766 3.960 0.000 0.000 0.218 234 G HA3 -0.194 3.766 3.960 0.000 0.000 0.218 234 G C 1.705 176.542 174.900 -0.106 0.000 1.146 234 G CA 0.831 45.648 45.100 -0.471 0.000 0.769 234 G HN 0.369 nan 8.290 nan 0.000 0.547 235 L N -0.308 120.881 121.223 -0.056 0.000 2.072 235 L HA 0.090 4.430 4.340 0.000 0.000 0.205 235 L C 2.847 179.716 176.870 -0.001 0.000 1.079 235 L CA 0.390 55.246 54.840 0.027 0.000 0.752 235 L CB -0.276 41.834 42.059 0.085 0.000 0.906 235 L HN 0.187 nan 8.230 nan 0.000 0.436 236 L N -0.574 120.660 121.223 0.018 0.000 2.083 236 L HA -0.225 4.115 4.340 0.000 0.000 0.209 236 L C 2.132 179.062 176.870 0.099 0.000 1.083 236 L CA 0.935 55.820 54.840 0.075 0.000 0.752 236 L CB -0.656 41.474 42.059 0.119 0.000 0.899 236 L HN 0.262 nan 8.230 nan 0.000 0.433 237 D N -0.092 120.368 120.400 0.100 0.000 2.182 237 D HA -0.214 4.426 4.640 0.000 0.000 0.201 237 D C 2.232 178.631 176.300 0.165 0.000 0.986 237 D CA 1.220 55.339 54.000 0.198 0.000 0.847 237 D CB -0.067 40.856 40.800 0.206 0.000 0.942 237 D HN 0.490 nan 8.370 nan 0.000 0.467 238 Q N -0.259 119.551 119.800 0.016 0.000 2.212 238 Q HA 0.013 4.353 4.340 0.000 0.000 0.199 238 Q C 2.210 178.158 176.000 -0.088 0.000 0.950 238 Q CA 0.303 56.040 55.803 -0.109 0.000 0.863 238 Q CB 0.254 28.857 28.738 -0.225 0.000 0.944 238 Q HN 0.337 nan 8.270 nan 0.000 0.465 239 I N -0.950 119.618 120.570 -0.003 0.000 3.059 239 I HA -0.085 4.085 4.170 0.000 0.000 0.270 239 I C 1.159 177.324 176.117 0.080 0.000 1.238 239 I CA 1.148 62.478 61.300 0.050 0.000 1.478 239 I CB -0.087 37.975 38.000 0.102 0.000 1.097 239 I HN 0.109 nan 8.210 nan 0.000 0.455 240 Q N 1.454 121.312 119.800 0.095 0.000 2.389 240 Q HA 0.231 4.571 4.340 0.000 0.000 0.204 240 Q C 2.117 178.175 176.000 0.098 0.000 0.944 240 Q CA 1.202 57.111 55.803 0.176 0.000 0.908 240 Q CB 0.130 29.029 28.738 0.269 0.000 1.002 240 Q HN 0.695 nan 8.270 nan 0.000 0.493 241 A N -0.524 122.103 122.820 -0.323 0.000 2.178 241 A HA 0.007 4.328 4.320 0.000 0.000 0.211 241 A C 1.774 179.290 177.584 -0.112 0.000 1.157 241 A CA 0.423 52.045 52.037 -0.691 0.000 0.780 241 A CB 0.041 18.349 19.000 -1.152 0.000 0.828 241 A HN 0.240 nan 8.150 nan 0.000 0.476 242 L N -1.205 120.013 121.223 -0.009 0.000 2.408 242 L HA 0.216 4.556 4.340 0.000 0.000 0.215 242 L C 2.260 179.219 176.870 0.148 0.000 1.081 242 L CA 0.826 55.718 54.840 0.086 0.000 0.840 242 L CB -0.281 41.827 42.059 0.081 0.000 1.002 242 L HN 0.172 nan 8.230 nan 0.000 0.468 243 R N -1.797 118.802 120.500 0.166 0.000 2.115 243 R HA -0.189 4.151 4.340 0.000 0.000 0.230 243 R C 1.948 178.390 176.300 0.237 0.000 1.111 243 R CA 1.182 57.392 56.100 0.183 0.000 0.976 243 R CB -0.572 29.840 30.300 0.188 0.000 0.870 243 R HN 0.455 nan 8.270 nan 0.000 0.445 244 W N 0.385 121.761 121.300 0.126 0.000 2.453 244 W HA -0.080 4.580 4.660 0.000 0.000 0.289 244 W C 1.586 178.195 176.519 0.151 0.000 1.215 244 W CA 0.448 57.906 57.345 0.188 0.000 1.297 244 W CB -0.065 29.536 29.460 0.235 0.000 1.113 244 W HN -0.064 nan 8.180 nan 0.000 0.551 245 L N -0.004 121.417 121.223 0.330 0.000 2.056 245 L HA -0.114 4.226 4.340 0.000 0.000 0.207 245 L C 2.542 179.431 176.870 0.033 0.000 1.078 245 L CA 2.009 56.957 54.840 0.180 0.000 0.749 245 L CB -1.392 40.792 42.059 0.209 0.000 0.901 245 L HN -0.102 nan 8.230 nan 0.000 0.433 246 S N -1.394 114.338 115.700 0.054 0.000 2.603 246 S HA -0.054 4.416 4.470 0.000 0.000 0.229 246 S C 1.504 176.080 174.600 -0.039 0.000 0.972 246 S CA 0.739 58.953 58.200 0.023 0.000 0.935 246 S CB -0.102 63.134 63.200 0.059 0.000 0.769 246 S HN 0.512 nan 8.310 nan 0.000 0.536 247 E N -0.656 119.482 120.200 -0.102 0.000 2.508 247 E HA 0.200 4.550 4.350 0.000 0.000 0.217 247 E C 0.580 177.038 176.600 -0.236 0.000 0.896 247 E CA 0.089 56.399 56.400 -0.149 0.000 1.118 247 E CB 0.408 30.034 29.700 -0.123 0.000 1.133 247 E HN 0.416 nan 8.360 nan 0.000 0.526 248 N N -0.278 118.224 118.700 -0.331 0.000 2.129 248 N HA 0.076 4.816 4.740 0.000 0.000 0.222 248 N C 1.066 176.511 175.510 -0.110 0.000 1.303 248 N CA -0.019 52.836 53.050 -0.324 0.000 0.897 248 N CB 0.646 38.643 38.487 -0.816 0.000 1.093 248 N HN -0.073 nan 8.380 nan 0.000 0.501 249 I N 1.597 122.121 120.570 -0.077 0.000 2.614 249 I HA 0.023 4.193 4.170 0.000 0.000 0.258 249 I C 1.972 178.141 176.117 0.087 0.000 1.189 249 I CA 0.476 61.850 61.300 0.124 0.000 1.462 249 I CB -0.365 37.679 38.000 0.073 0.000 1.092 249 I HN 0.172 nan 8.210 nan 0.000 0.442 250 A N -0.081 122.662 122.820 -0.129 0.000 1.917 250 A HA -0.272 4.049 4.320 0.000 0.000 0.219 250 A C 2.124 179.590 177.584 -0.196 0.000 1.182 250 A CA 2.020 53.930 52.037 -0.212 0.000 0.633 250 A CB -1.092 17.682 19.000 -0.377 0.000 0.819 250 A HN 0.603 nan 8.150 nan 0.000 0.448 251 H N -2.173 116.856 119.070 -0.069 0.000 2.545 251 H HA -0.013 4.543 4.556 0.000 0.000 0.282 251 H C 1.101 176.247 175.328 -0.303 0.000 1.020 251 H CA 0.940 56.864 56.048 -0.207 0.000 1.243 251 H CB -0.271 29.293 29.762 -0.329 0.000 1.377 251 H HN 0.641 nan 8.280 nan 0.000 0.581 252 F N -0.216 119.737 119.950 0.006 0.000 2.776 252 F HA 0.267 4.794 4.527 0.000 0.000 0.300 252 F C 1.575 177.400 175.800 0.042 0.000 1.116 252 F CA 0.578 58.573 58.000 -0.008 0.000 1.375 252 F CB 0.785 39.759 39.000 -0.044 0.000 1.109 252 F HN 0.208 nan 8.300 nan 0.000 0.585 253 G N 0.420 109.314 108.800 0.157 0.000 2.173 253 G HA2 0.055 4.015 3.960 0.000 0.000 0.174 253 G HA3 0.055 4.015 3.960 0.000 0.000 0.174 253 G C 0.093 175.050 174.900 0.094 0.000 1.025 253 G CA -0.386 44.779 45.100 0.108 0.000 0.706 253 G HN 0.706 nan 8.290 nan 0.000 0.499 254 G N -0.488 108.362 108.800 0.084 0.000 2.662 254 G HA2 0.576 4.536 3.960 0.000 0.000 0.302 254 G HA3 0.576 4.536 3.960 0.000 0.000 0.302 254 G C -0.997 173.919 174.900 0.026 0.000 1.389 254 G CA -0.056 45.083 45.100 0.064 0.000 0.998 254 G HN 0.373 nan 8.290 nan 0.000 0.502 255 D N 2.277 122.686 120.400 0.016 0.000 2.401 255 D HA 0.228 4.868 4.640 0.000 0.000 0.254 255 D C -0.938 175.366 176.300 0.007 0.000 1.192 255 D CA -1.470 52.530 54.000 -0.001 0.000 0.885 255 D CB 1.574 42.373 40.800 -0.003 0.000 1.147 255 D HN 0.108 nan 8.370 nan 0.000 0.478 256 P HA 0.006 nan 4.420 nan 0.000 0.245 256 P C 0.005 177.316 177.300 0.018 0.000 1.212 256 P CA 0.359 63.462 63.100 0.005 0.000 0.774 256 P CB 0.456 32.139 31.700 -0.029 0.000 0.999 257 E N 0.105 120.311 120.200 0.009 0.000 2.451 257 E HA 0.157 4.507 4.350 0.000 0.000 0.194 257 E C 0.642 177.251 176.600 0.015 0.000 1.027 257 E CA -0.000 56.406 56.400 0.010 0.000 0.914 257 E CB 0.406 30.102 29.700 -0.006 0.000 1.054 257 E HN 0.334 nan 8.360 nan 0.000 0.461 258 R N 0.513 121.029 120.500 0.027 0.000 2.569 258 R HA 0.313 4.653 4.340 0.000 0.000 0.429 258 R C -0.211 176.121 176.300 0.054 0.000 0.994 258 R CA -0.130 55.983 56.100 0.022 0.000 1.089 258 R CB 0.538 30.833 30.300 -0.008 0.000 1.420 258 R HN 0.002 nan 8.270 nan 0.000 0.615 259 I N 1.373 122.002 120.570 0.098 0.000 2.471 259 I HA 0.130 4.300 4.170 0.000 0.000 0.286 259 I C 0.245 176.471 176.117 0.183 0.000 1.079 259 I CA 0.453 61.836 61.300 0.138 0.000 1.398 259 I CB 1.275 39.371 38.000 0.160 0.000 1.403 259 I HN -0.081 nan 8.210 nan 0.000 0.530 260 T N 7.206 121.855 114.554 0.159 0.000 2.807 260 T HA 0.574 4.924 4.350 0.000 0.000 0.279 260 T C -0.102 174.698 174.700 0.168 0.000 0.993 260 T CA -0.478 61.728 62.100 0.175 0.000 0.970 260 T CB 1.256 70.218 68.868 0.156 0.000 0.950 260 T HN 0.459 nan 8.240 nan 0.000 0.441 261 I N 1.531 122.123 120.570 0.037 0.000 2.321 261 I HA 0.768 4.938 4.170 0.000 0.000 0.291 261 I C -0.702 175.468 176.117 0.089 0.000 0.998 261 I CA -1.082 60.188 61.300 -0.050 0.000 1.227 261 I CB 0.446 38.183 38.000 -0.439 0.000 1.368 261 I HN 0.598 nan 8.210 nan 0.000 0.466 262 F N 3.855 123.797 119.950 -0.012 0.000 2.529 262 F HA 1.006 5.533 4.527 0.000 0.000 0.320 262 F C -0.172 175.675 175.800 0.078 0.000 1.118 262 F CA -0.550 57.490 58.000 0.066 0.000 0.915 262 F CB 1.757 40.868 39.000 0.185 0.000 1.161 262 F HN 0.695 nan 8.300 nan 0.000 0.445 263 G N 1.092 109.874 108.800 -0.030 0.000 2.692 263 G HA2 0.535 4.495 3.960 0.000 0.000 0.291 263 G HA3 0.535 4.495 3.960 0.000 0.000 0.291 263 G C -2.164 172.754 174.900 0.031 0.000 1.423 263 G CA -1.024 43.965 45.100 -0.185 0.000 0.843 263 G HN 0.856 nan 8.290 nan 0.000 0.486 264 S N -0.981 114.742 115.700 0.039 0.000 2.542 264 S HA 0.761 5.232 4.470 0.000 0.000 0.293 264 S C 0.925 175.590 174.600 0.107 0.000 1.089 264 S CA 1.182 59.448 58.200 0.111 0.000 0.961 264 S CB 1.052 64.350 63.200 0.164 0.000 1.062 264 S HN 2.631 nan 8.310 nan 0.000 0.483 265 G N 3.314 112.239 108.800 0.209 0.000 2.596 265 G HA2 -0.272 3.688 3.960 0.000 0.000 0.304 265 G HA3 -0.272 3.688 3.960 0.000 0.000 0.304 265 G C 1.221 176.171 174.900 0.084 0.000 1.189 265 G CA 0.737 46.035 45.100 0.329 0.000 0.986 265 G HN 1.749 nan 8.290 nan 0.000 0.548 266 A N -0.165 122.553 122.820 -0.170 0.000 1.883 266 A HA 0.202 4.522 4.320 0.000 0.000 0.217 266 A C 3.149 180.533 177.584 -0.335 0.000 1.186 266 A CA 3.292 55.056 52.037 -0.456 0.000 0.624 266 A CB -1.403 17.124 19.000 -0.788 0.000 0.822 266 A HN 2.316 nan 8.150 nan 0.000 0.444 267 G N -0.504 108.149 108.800 -0.246 0.000 2.503 267 G HA2 -0.112 3.848 3.960 0.000 0.000 0.221 267 G HA3 -0.112 3.848 3.960 0.000 0.000 0.221 267 G C 1.664 176.438 174.900 -0.210 0.000 1.131 267 G CA 1.707 46.639 45.100 -0.281 0.000 0.756 267 G HN 0.920 nan 8.290 nan 0.000 0.572 268 A N 0.245 123.010 122.820 -0.092 0.000 1.970 268 A HA 0.185 4.505 4.320 0.000 0.000 0.216 268 A C 2.647 180.214 177.584 -0.027 0.000 1.170 268 A CA 1.854 53.870 52.037 -0.035 0.000 0.645 268 A CB -0.335 18.698 19.000 0.056 0.000 0.816 268 A HN 0.287 nan 8.150 nan 0.000 0.447 269 S N -0.661 115.040 115.700 0.002 0.000 2.419 269 S HA -0.176 4.294 4.470 0.000 0.000 0.233 269 S C 1.847 176.461 174.600 0.024 0.000 1.016 269 S CA 1.427 59.657 58.200 0.050 0.000 0.974 269 S CB -0.588 62.696 63.200 0.140 0.000 0.786 269 S HN 0.771 nan 8.310 nan 0.000 0.492 270 C N 0.558 119.834 119.300 -0.041 0.000 2.518 270 C HA 0.086 4.546 4.460 0.000 0.000 0.279 270 C C 2.563 177.470 174.990 -0.138 0.000 1.279 270 C CA -0.124 58.851 59.018 -0.073 0.000 1.703 270 C CB -1.385 26.261 27.740 -0.158 0.000 2.072 270 C HN 0.387 nan 8.230 nan 0.000 0.487 271 V N 2.374 122.174 119.914 -0.190 0.000 2.277 271 V HA -0.316 3.805 4.120 0.000 0.000 0.253 271 V C 2.380 178.369 176.094 -0.177 0.000 1.067 271 V CA 2.411 64.569 62.300 -0.236 0.000 1.047 271 V CB -0.714 30.996 31.823 -0.188 0.000 0.649 271 V HN 0.590 nan 8.190 nan 0.000 0.447 272 N N -0.651 117.985 118.700 -0.107 0.000 2.300 272 N HA 0.004 4.744 4.740 0.000 0.000 0.179 272 N C 1.774 177.265 175.510 -0.031 0.000 1.016 272 N CA 0.984 53.989 53.050 -0.076 0.000 0.876 272 N CB -0.001 38.453 38.487 -0.056 0.000 0.979 272 N HN 0.424 nan 8.380 nan 0.000 0.432 273 L N 0.288 121.498 121.223 -0.022 0.000 2.044 273 L HA -0.119 4.221 4.340 0.000 0.000 0.205 273 L C 1.938 178.823 176.870 0.026 0.000 1.075 273 L CA 0.560 55.404 54.840 0.005 0.000 0.747 273 L CB -0.225 41.836 42.059 0.004 0.000 0.903 273 L HN 0.083 nan 8.230 nan 0.000 0.435 274 L N -0.346 120.874 121.223 -0.006 0.000 2.127 274 L HA -0.231 4.109 4.340 0.000 0.000 0.211 274 L C 2.279 179.265 176.870 0.193 0.000 1.089 274 L CA 1.712 56.581 54.840 0.050 0.000 0.757 274 L CB -0.621 41.384 42.059 -0.090 0.000 0.899 274 L HN 0.154 nan 8.230 nan 0.000 0.434 275 I N -1.138 119.519 120.570 0.145 0.000 2.163 275 I HA -0.347 3.823 4.170 0.000 0.000 0.243 275 I C 2.161 178.455 176.117 0.295 0.000 1.085 275 I CA 1.429 62.867 61.300 0.230 0.000 1.347 275 I CB -0.302 37.761 38.000 0.105 0.000 1.044 275 I HN 0.182 nan 8.210 nan 0.000 0.408 276 L N -0.318 121.004 121.223 0.166 0.000 2.478 276 L HA -0.015 4.325 4.340 0.000 0.000 0.223 276 L C 1.295 178.299 176.870 0.223 0.000 1.140 276 L CA 0.015 54.962 54.840 0.179 0.000 0.842 276 L CB -0.214 41.902 42.059 0.096 0.000 0.953 276 L HN 0.119 nan 8.230 nan 0.000 0.452 277 S N -0.732 115.098 115.700 0.218 0.000 2.489 277 S HA 0.050 4.520 4.470 0.000 0.000 0.277 277 S C 1.115 175.905 174.600 0.317 0.000 1.230 277 S CA -0.585 57.754 58.200 0.232 0.000 1.053 277 S CB 0.501 63.782 63.200 0.135 0.000 0.955 277 S HN 0.532 nan 8.310 nan 0.000 0.488 278 H N 2.542 121.745 119.070 0.223 0.000 2.556 278 H HA 0.188 4.744 4.556 0.000 0.000 0.268 278 H C 1.171 176.645 175.328 0.243 0.000 0.996 278 H CA 0.767 56.944 56.048 0.215 0.000 1.157 278 H CB -0.267 29.595 29.762 0.168 0.000 1.355 278 H HN 0.809 nan 8.280 nan 0.000 0.597 279 H N 0.028 118.971 119.070 -0.212 0.000 2.556 279 H HA 0.108 4.664 4.556 0.000 0.000 0.268 279 H C 0.017 175.340 175.328 -0.008 0.000 0.996 279 H CA 0.487 56.426 56.048 -0.183 0.000 1.157 279 H CB 0.532 30.215 29.762 -0.132 0.000 1.355 279 H HN 0.331 nan 8.280 nan 0.000 0.597 280 S N 0.081 115.885 115.700 0.173 0.000 2.750 280 S HA 0.194 4.664 4.470 0.000 0.000 0.276 280 S C -0.035 174.655 174.600 0.151 0.000 1.165 280 S CA -0.709 57.603 58.200 0.186 0.000 1.047 280 S CB 1.709 65.095 63.200 0.310 0.000 1.056 280 S HN 0.318 nan 8.310 nan 0.000 0.481 281 E N 3.273 123.524 120.200 0.085 0.000 2.941 281 E HA 0.240 4.590 4.350 0.000 0.000 0.180 281 E C 1.292 177.889 176.600 -0.005 0.000 1.130 281 E CA 0.042 56.471 56.400 0.049 0.000 1.243 281 E CB -0.112 29.612 29.700 0.039 0.000 1.582 281 E HN 0.657 nan 8.360 nan 0.000 0.499 282 G N 0.949 109.752 108.800 0.005 0.000 3.424 282 G HA2 0.201 4.161 3.960 0.000 0.000 0.263 282 G HA3 0.201 4.161 3.960 0.000 0.000 0.263 282 G C 0.763 175.681 174.900 0.031 0.000 1.310 282 G CA 0.089 45.189 45.100 0.000 0.000 1.089 282 G HN -0.058 nan 8.290 nan 0.000 0.534 283 L N -0.503 120.753 121.223 0.054 0.000 2.286 283 L HA 0.412 4.752 4.340 0.000 0.000 0.203 283 L C 0.619 177.626 176.870 0.228 0.000 1.068 283 L CA 0.656 55.581 54.840 0.141 0.000 0.811 283 L CB -0.157 42.023 42.059 0.201 0.000 0.989 283 L HN 0.383 nan 8.230 nan 0.000 0.467 284 F N -1.853 118.156 119.950 0.099 0.000 2.603 284 F HA 0.538 5.065 4.527 0.000 0.000 0.317 284 F C 0.342 176.266 175.800 0.206 0.000 1.066 284 F CA -0.825 57.227 58.000 0.085 0.000 0.941 284 F CB 0.977 39.977 39.000 -0.000 0.000 1.291 284 F HN -0.050 nan 8.300 nan 0.000 0.472 285 Q N 0.311 120.250 119.800 0.232 0.000 2.157 285 Q HA 0.386 4.726 4.340 0.000 0.000 0.235 285 Q C -0.908 175.306 176.000 0.357 0.000 0.803 285 Q CA -0.054 55.896 55.803 0.245 0.000 0.967 285 Q CB 1.234 30.029 28.738 0.096 0.000 1.150 285 Q HN 0.834 nan 8.270 nan 0.000 0.482 286 K N 0.625 121.261 120.400 0.393 0.000 2.464 286 K HA 0.817 5.137 4.320 0.000 0.000 0.253 286 K C -1.573 175.259 176.600 0.387 0.000 0.933 286 K CA -0.379 56.092 56.287 0.306 0.000 0.801 286 K CB 2.541 35.036 32.500 -0.008 0.000 1.271 286 K HN 0.150 nan 8.250 nan 0.000 0.430 287 A N 2.732 125.780 122.820 0.379 0.000 2.422 287 A HA 0.736 5.056 4.320 0.000 0.000 0.302 287 A C -1.204 176.442 177.584 0.103 0.000 1.041 287 A CA -0.694 51.442 52.037 0.164 0.000 0.708 287 A CB 0.704 19.731 19.000 0.044 0.000 1.257 287 A HN 0.680 nan 8.150 nan 0.000 0.414 288 I N 2.053 122.635 120.570 0.020 0.000 2.411 288 I HA 0.498 4.668 4.170 0.000 0.000 0.284 288 I C 0.367 176.488 176.117 0.007 0.000 1.012 288 I CA -0.373 60.868 61.300 -0.099 0.000 1.119 288 I CB 1.892 39.824 38.000 -0.114 0.000 1.261 288 I HN 0.721 nan 8.210 nan 0.000 0.448 289 A N 6.720 129.506 122.820 -0.055 0.000 2.249 289 A HA 0.567 4.887 4.320 0.000 0.000 0.314 289 A C -0.353 177.264 177.584 0.055 0.000 1.290 289 A CA -0.443 51.583 52.037 -0.018 0.000 0.893 289 A CB 0.333 19.280 19.000 -0.087 0.000 1.165 289 A HN 0.718 nan 8.150 nan 0.000 0.530 290 Q N 2.024 121.917 119.800 0.155 0.000 2.400 290 Q HA 0.456 4.796 4.340 0.000 0.000 0.255 290 Q C -0.290 175.785 176.000 0.126 0.000 1.008 290 Q CA -0.526 55.420 55.803 0.240 0.000 0.841 290 Q CB 1.131 30.069 28.738 0.333 0.000 1.220 290 Q HN 0.829 nan 8.270 nan 0.000 0.474 291 S N 0.997 116.727 115.700 0.051 0.000 3.711 291 S HA -0.126 4.344 4.470 0.000 0.000 0.374 291 S C 0.024 174.871 174.600 0.412 0.000 0.969 291 S CA 0.476 58.746 58.200 0.118 0.000 1.198 291 S CB -1.250 61.875 63.200 -0.124 0.000 0.903 291 S HN 1.021 nan 8.310 nan 0.000 0.493 292 G N -0.237 108.743 108.800 0.301 0.000 2.498 292 G HA2 0.598 4.558 3.960 0.000 0.000 0.301 292 G HA3 0.598 4.558 3.960 0.000 0.000 0.301 292 G C -0.770 174.195 174.900 0.108 0.000 1.577 292 G CA 0.202 45.488 45.100 0.310 0.000 0.868 292 G HN 0.891 nan 8.290 nan 0.000 0.599 293 T N -1.623 112.955 114.554 0.041 0.000 2.716 293 T HA 0.754 5.104 4.350 0.000 0.000 0.286 293 T C 0.983 175.667 174.700 -0.026 0.000 1.052 293 T CA 0.239 62.324 62.100 -0.025 0.000 1.024 293 T CB 1.660 70.488 68.868 -0.067 0.000 1.349 293 T HN 1.658 nan 8.240 nan 0.000 0.525 294 A N -0.193 122.611 122.820 -0.026 0.000 2.308 294 A HA 0.435 4.755 4.320 0.000 0.000 0.217 294 A C 1.618 179.184 177.584 -0.031 0.000 1.216 294 A CA 0.027 52.061 52.037 -0.005 0.000 0.864 294 A CB -0.867 18.142 19.000 0.014 0.000 0.902 294 A HN 0.842 nan 8.150 nan 0.000 0.499 295 I N -3.244 117.270 120.570 -0.092 0.000 4.025 295 I HA 0.264 4.434 4.170 0.000 0.000 0.336 295 I C 0.781 176.727 176.117 -0.284 0.000 1.390 295 I CA -0.215 61.004 61.300 -0.135 0.000 1.099 295 I CB 0.229 38.167 38.000 -0.102 0.000 1.049 295 I HN 0.065 nan 8.210 nan 0.000 0.394 296 S N 1.054 116.522 115.700 -0.387 0.000 2.579 296 S HA 0.075 4.545 4.470 0.000 0.000 0.275 296 S C 1.633 175.815 174.600 -0.697 0.000 1.345 296 S CA 0.494 58.260 58.200 -0.724 0.000 1.031 296 S CB 1.260 63.819 63.200 -1.069 0.000 0.892 296 S HN 0.435 nan 8.310 nan 0.000 0.529 297 S N 3.436 118.584 115.700 -0.920 0.000 2.365 297 S HA -0.115 4.355 4.470 0.000 0.000 0.225 297 S C 1.256 175.534 174.600 -0.537 0.000 1.039 297 S CA 1.616 59.371 58.200 -0.742 0.000 1.033 297 S CB -0.540 62.173 63.200 -0.811 0.000 0.887 297 S HN 0.883 nan 8.310 nan 0.000 0.447 298 W N 1.128 122.250 121.300 -0.296 0.000 3.121 298 W HA 0.576 5.236 4.660 -0.000 0.000 0.441 298 W C 0.911 177.411 176.519 -0.031 0.000 0.878 298 W CA -0.581 56.668 57.345 -0.161 0.000 2.101 298 W CB -0.850 28.528 29.460 -0.136 0.000 1.067 298 W HN 0.204 nan 8.180 nan 0.000 0.834 299 S N 0.916 116.704 115.700 0.147 0.000 2.339 299 S HA -0.027 4.443 4.470 0.000 0.000 0.213 299 S C 0.708 175.395 174.600 0.145 0.000 1.033 299 S CA 0.530 58.856 58.200 0.210 0.000 0.950 299 S CB -0.029 63.188 63.200 0.029 0.000 0.893 299 S HN 0.160 nan 8.310 nan 0.000 0.492 300 V N 2.517 122.471 119.914 0.066 0.000 2.680 300 V HA 0.594 4.714 4.120 0.000 0.000 0.309 300 V C -1.151 174.909 176.094 -0.056 0.000 1.052 300 V CA -1.069 61.174 62.300 -0.095 0.000 0.908 300 V CB 1.793 33.521 31.823 -0.157 0.000 1.001 300 V HN 0.298 nan 8.190 nan 0.000 0.431 301 N N 4.651 123.234 118.700 -0.194 0.000 2.402 301 N HA 0.208 4.948 4.740 0.000 0.000 0.259 301 N C -0.114 175.317 175.510 -0.132 0.000 1.167 301 N CA 0.296 53.286 53.050 -0.100 0.000 0.949 301 N CB 0.084 38.485 38.487 -0.145 0.000 1.212 301 N HN 0.771 nan 8.380 nan 0.000 0.493 302 Y N 0.919 121.218 120.300 -0.002 0.000 2.490 302 Y HA 0.172 4.722 4.550 0.000 0.000 0.281 302 Y C 0.851 176.757 175.900 0.010 0.000 1.174 302 Y CA 0.239 58.339 58.100 0.001 0.000 1.295 302 Y CB 0.607 39.070 38.460 0.004 0.000 1.062 302 Y HN 0.444 nan 8.280 nan 0.000 0.522 303 Q N 0.421 120.307 119.800 0.145 0.000 2.318 303 Q HA 0.178 4.518 4.340 0.000 0.000 0.371 303 Q C -2.053 174.013 176.000 0.111 0.000 0.896 303 Q CA -1.147 54.725 55.803 0.115 0.000 1.134 303 Q CB 0.651 29.483 28.738 0.158 0.000 1.329 303 Q HN 0.322 nan 8.270 nan 0.000 0.413 304 P HA -0.122 nan 4.420 nan 0.000 0.223 304 P C 1.354 178.685 177.300 0.052 0.000 1.151 304 P CA 0.567 63.695 63.100 0.048 0.000 0.787 304 P CB 0.518 32.234 31.700 0.026 0.000 0.788 305 L N -0.204 121.031 121.223 0.020 0.000 2.072 305 L HA -0.063 4.277 4.340 0.000 0.000 0.205 305 L C 2.807 179.652 176.870 -0.042 0.000 1.079 305 L CA 1.397 56.239 54.840 0.004 0.000 0.752 305 L CB -0.443 41.611 42.059 -0.008 0.000 0.906 305 L HN -0.128 nan 8.230 nan 0.000 0.436 306 K N -0.595 119.733 120.400 -0.120 0.000 2.063 306 K HA -0.236 4.084 4.320 0.000 0.000 0.208 306 K C 1.907 178.300 176.600 -0.345 0.000 1.048 306 K CA 1.927 58.042 56.287 -0.287 0.000 0.928 306 K CB -0.202 32.010 32.500 -0.481 0.000 0.713 306 K HN 0.336 nan 8.250 nan 0.000 0.442 307 Y N -0.455 119.768 120.300 -0.129 0.000 2.490 307 Y HA -0.036 4.513 4.550 -0.000 0.000 0.285 307 Y C 2.542 178.405 175.900 -0.062 0.000 1.117 307 Y CA 0.800 58.775 58.100 -0.208 0.000 1.262 307 Y CB 0.060 38.211 38.460 -0.516 0.000 1.043 307 Y HN 0.076 nan 8.280 nan 0.000 0.553 308 T N -0.199 114.446 114.554 0.151 0.000 2.857 308 T HA -0.101 4.249 4.350 0.000 0.000 0.266 308 T C 2.120 176.912 174.700 0.153 0.000 1.048 308 T CA 1.097 63.354 62.100 0.262 0.000 1.139 308 T CB 0.002 68.997 68.868 0.211 0.000 0.874 308 T HN 0.239 nan 8.240 nan 0.000 0.455 309 R N 0.119 120.658 120.500 0.065 0.000 2.080 309 R HA -0.068 4.272 4.340 0.000 0.000 0.236 309 R C 2.338 178.665 176.300 0.045 0.000 1.137 309 R CA 1.317 57.434 56.100 0.029 0.000 0.943 309 R CB -0.661 29.628 30.300 -0.018 0.000 0.846 309 R HN 0.313 nan 8.270 nan 0.000 0.431 310 L N 0.764 122.017 121.223 0.050 0.000 2.083 310 L HA -0.179 4.161 4.340 0.000 0.000 0.209 310 L C 2.351 179.294 176.870 0.121 0.000 1.083 310 L CA 1.217 56.099 54.840 0.069 0.000 0.752 310 L CB -0.590 41.508 42.059 0.065 0.000 0.899 310 L HN 0.231 nan 8.230 nan 0.000 0.433 311 L N -0.550 120.793 121.223 0.200 0.000 2.046 311 L HA -0.164 4.176 4.340 0.000 0.000 0.208 311 L C 2.498 179.438 176.870 0.117 0.000 1.077 311 L CA 2.175 57.142 54.840 0.212 0.000 0.747 311 L CB -0.985 41.283 42.059 0.349 0.000 0.896 311 L HN 0.317 nan 8.230 nan 0.000 0.432 312 A N -0.310 122.566 122.820 0.094 0.000 1.930 312 A HA -0.077 4.243 4.320 0.000 0.000 0.217 312 A C 2.421 180.026 177.584 0.035 0.000 1.175 312 A CA 1.520 53.583 52.037 0.044 0.000 0.627 312 A CB -0.700 18.315 19.000 0.025 0.000 0.815 312 A HN 0.532 nan 8.150 nan 0.000 0.443 313 A N -0.439 122.405 122.820 0.041 0.000 2.019 313 A HA -0.109 4.211 4.320 0.000 0.000 0.219 313 A C 2.067 179.671 177.584 0.032 0.000 1.164 313 A CA 1.605 53.660 52.037 0.029 0.000 0.644 313 A CB -0.275 18.739 19.000 0.024 0.000 0.805 313 A HN 0.498 nan 8.150 nan 0.000 0.449 314 K N -0.446 119.982 120.400 0.046 0.000 2.262 314 K HA 0.028 4.348 4.320 0.000 0.000 0.200 314 K C 1.639 178.261 176.600 0.036 0.000 1.049 314 K CA 1.262 57.576 56.287 0.045 0.000 0.979 314 K CB 0.136 32.673 32.500 0.061 0.000 0.773 314 K HN 0.519 nan 8.250 nan 0.000 0.474 315 V N -3.611 116.324 119.914 0.035 0.000 3.471 315 V HA 0.350 4.470 4.120 0.000 0.000 0.258 315 V C 1.104 177.208 176.094 0.017 0.000 1.192 315 V CA 0.701 63.017 62.300 0.026 0.000 1.116 315 V CB 0.281 32.120 31.823 0.027 0.000 0.792 315 V HN 0.344 nan 8.190 nan 0.000 0.459 316 G N -0.744 108.065 108.800 0.015 0.000 2.168 316 G HA2 -0.211 3.749 3.960 0.000 0.000 0.197 316 G HA3 -0.211 3.749 3.960 0.000 0.000 0.197 316 G C 0.324 175.225 174.900 0.003 0.000 0.997 316 G CA 0.007 45.112 45.100 0.009 0.000 0.658 316 G HN 0.518 nan 8.290 nan 0.000 0.513 317 c N 2.820 121.420 118.600 0.001 0.000 2.480 317 c HA 0.307 4.877 4.570 0.000 0.000 0.317 317 c C 0.940 175.024 174.090 -0.010 0.000 1.300 317 c CA -0.275 56.048 56.329 -0.010 0.000 1.706 317 c CB -1.172 41.324 42.510 -0.023 0.000 1.840 317 c HN 0.591 nan 8.230 nan 0.000 0.596 318 D N 1.193 121.592 120.400 -0.002 0.000 2.558 318 D HA 0.059 4.699 4.640 0.000 0.000 0.221 318 D C 0.293 176.590 176.300 -0.005 0.000 1.143 318 D CA 0.051 54.050 54.000 -0.001 0.000 1.010 318 D CB 0.284 41.086 40.800 0.004 0.000 1.068 318 D HN 0.289 nan 8.370 nan 0.000 0.511 319 R N 1.198 121.693 120.500 -0.009 0.000 2.560 319 R HA 0.144 4.484 4.340 0.000 0.000 0.270 319 R C 1.284 177.579 176.300 -0.008 0.000 1.074 319 R CA -0.613 55.482 56.100 -0.009 0.000 1.140 319 R CB 0.855 31.148 30.300 -0.012 0.000 1.073 319 R HN 0.295 nan 8.270 nan 0.000 0.527 320 E N 0.760 120.956 120.200 -0.007 0.000 2.107 320 E HA -0.110 4.240 4.350 0.000 0.000 0.191 320 E C -0.014 176.583 176.600 -0.006 0.000 0.982 320 E CA 0.888 57.285 56.400 -0.006 0.000 0.809 320 E CB -0.100 29.597 29.700 -0.005 0.000 0.756 320 E HN 0.491 nan 8.360 nan 0.000 0.459 321 D N -0.033 120.364 120.400 -0.006 0.000 2.390 321 D HA -0.001 4.639 4.640 0.000 0.000 0.249 321 D C 0.925 177.221 176.300 -0.008 0.000 1.144 321 D CA 0.211 54.208 54.000 -0.006 0.000 0.880 321 D CB 1.281 42.078 40.800 -0.006 0.000 1.182 321 D HN -0.249 nan 8.370 nan 0.000 0.451 322 S N 2.027 117.723 115.700 -0.005 0.000 2.357 322 S HA -0.156 4.315 4.470 0.000 0.000 0.221 322 S C 1.826 176.419 174.600 -0.012 0.000 1.031 322 S CA 1.519 59.715 58.200 -0.006 0.000 0.982 322 S CB -0.220 62.980 63.200 0.001 0.000 0.853 322 S HN 0.684 nan 8.310 nan 0.000 0.458 323 T N 0.417 114.967 114.554 -0.007 0.000 3.035 323 T HA 0.071 4.421 4.350 0.000 0.000 0.268 323 T C 1.570 176.259 174.700 -0.018 0.000 1.109 323 T CA 1.063 63.157 62.100 -0.009 0.000 1.119 323 T CB -0.240 68.629 68.868 0.001 0.000 0.900 323 T HN 0.497 nan 8.240 nan 0.000 0.503 324 E N -0.559 119.630 120.200 -0.018 0.000 2.318 324 E HA 0.156 4.506 4.350 0.000 0.000 0.193 324 E C 2.219 178.800 176.600 -0.032 0.000 0.998 324 E CA 0.476 56.864 56.400 -0.021 0.000 0.859 324 E CB -0.041 29.650 29.700 -0.014 0.000 0.812 324 E HN 0.559 nan 8.360 nan 0.000 0.492 325 A N 0.462 123.260 122.820 -0.037 0.000 1.930 325 A HA -0.103 4.217 4.320 0.000 0.000 0.217 325 A C 2.235 179.765 177.584 -0.090 0.000 1.175 325 A CA 1.088 53.095 52.037 -0.049 0.000 0.627 325 A CB -0.317 18.660 19.000 -0.038 0.000 0.815 325 A HN 0.179 nan 8.150 nan 0.000 0.443 326 V N 0.053 119.901 119.914 -0.109 0.000 2.591 326 V HA -0.131 3.989 4.120 0.000 0.000 0.249 326 V C 2.230 178.226 176.094 -0.164 0.000 1.053 326 V CA 1.618 63.799 62.300 -0.198 0.000 1.068 326 V CB -0.724 30.996 31.823 -0.171 0.000 0.689 326 V HN 0.476 nan 8.190 nan 0.000 0.462 327 E N -0.325 119.824 120.200 -0.086 0.000 2.152 327 E HA -0.184 4.166 4.350 0.000 0.000 0.192 327 E C 2.255 178.828 176.600 -0.045 0.000 0.983 327 E CA 1.421 57.790 56.400 -0.052 0.000 0.818 327 E CB -0.524 29.158 29.700 -0.029 0.000 0.758 327 E HN 0.673 nan 8.360 nan 0.000 0.467 328 c N 0.778 119.347 118.600 -0.051 0.000 2.432 328 c HA -0.061 4.509 4.570 0.000 0.000 0.277 328 c C 2.678 176.740 174.090 -0.046 0.000 1.249 328 c CA 0.418 56.723 56.329 -0.039 0.000 1.725 328 c CB -1.131 41.359 42.510 -0.035 0.000 2.028 328 c HN 0.344 nan 8.230 nan 0.000 0.477 329 L N 0.666 121.832 121.223 -0.096 0.000 2.265 329 L HA -0.071 4.269 4.340 0.000 0.000 0.215 329 L C 2.797 179.649 176.870 -0.030 0.000 1.117 329 L CA 0.934 55.704 54.840 -0.117 0.000 0.782 329 L CB -0.596 41.270 42.059 -0.320 0.000 0.914 329 L HN 0.337 nan 8.230 nan 0.000 0.441 330 R N 0.180 120.666 120.500 -0.025 0.000 2.193 330 R HA -0.085 4.255 4.340 0.000 0.000 0.229 330 R C 2.040 178.370 176.300 0.050 0.000 1.110 330 R CA 0.968 57.103 56.100 0.059 0.000 0.988 330 R CB -0.282 30.036 30.300 0.030 0.000 0.871 330 R HN 0.480 nan 8.270 nan 0.000 0.458 331 R N 0.091 120.605 120.500 0.024 0.000 2.206 331 R HA 0.132 4.472 4.340 0.000 0.000 0.198 331 R C 0.338 176.651 176.300 0.022 0.000 0.986 331 R CA 0.163 56.274 56.100 0.018 0.000 1.029 331 R CB 0.324 30.627 30.300 0.006 0.000 0.966 331 R HN -0.009 nan 8.270 nan 0.000 0.487 332 K N 2.184 122.601 120.400 0.028 0.000 2.218 332 K HA 0.107 4.427 4.320 0.000 0.000 0.276 332 K C 0.209 176.830 176.600 0.035 0.000 1.022 332 K CA -0.067 56.236 56.287 0.027 0.000 0.946 332 K CB 1.519 34.034 32.500 0.025 0.000 1.000 332 K HN 0.048 nan 8.250 nan 0.000 0.468 333 S N 0.594 116.308 115.700 0.023 0.000 2.568 333 S HA -0.037 4.433 4.470 0.000 0.000 0.282 333 S C 1.355 175.966 174.600 0.019 0.000 1.338 333 S CA -0.156 58.054 58.200 0.017 0.000 1.045 333 S CB 1.028 64.234 63.200 0.010 0.000 0.873 333 S HN 0.644 nan 8.310 nan 0.000 0.516 334 S N 2.692 118.398 115.700 0.009 0.000 2.368 334 S HA -0.179 4.291 4.470 0.000 0.000 0.224 334 S C 1.822 176.420 174.600 -0.003 0.000 1.029 334 S CA 0.725 58.925 58.200 -0.001 0.000 0.988 334 S CB -0.674 62.511 63.200 -0.025 0.000 0.838 334 S HN 0.806 nan 8.310 nan 0.000 0.462 335 R N 2.007 122.506 120.500 -0.002 0.000 2.117 335 R HA -0.109 4.231 4.340 0.000 0.000 0.243 335 R C 2.275 178.580 176.300 0.009 0.000 1.143 335 R CA 2.046 58.148 56.100 0.002 0.000 0.968 335 R CB -0.525 29.776 30.300 0.002 0.000 0.863 335 R HN 0.770 nan 8.270 nan 0.000 0.444 336 E N -0.874 119.333 120.200 0.012 0.000 2.140 336 E HA -0.105 4.246 4.350 0.000 0.000 0.191 336 E C 1.696 178.308 176.600 0.020 0.000 0.973 336 E CA 0.498 56.908 56.400 0.017 0.000 0.829 336 E CB -0.032 29.679 29.700 0.017 0.000 0.781 336 E HN 0.327 nan 8.360 nan 0.000 0.466 337 L N 0.587 121.822 121.223 0.020 0.000 2.201 337 L HA -0.079 4.261 4.340 0.000 0.000 0.212 337 L C 2.068 178.940 176.870 0.002 0.000 1.105 337 L CA 0.867 55.722 54.840 0.026 0.000 0.775 337 L CB 0.104 42.194 42.059 0.051 0.000 0.913 337 L HN 0.048 nan 8.230 nan 0.000 0.440 338 V N -1.236 118.674 119.914 -0.007 0.000 2.379 338 V HA -0.085 4.035 4.120 0.000 0.000 0.243 338 V C 0.287 176.383 176.094 0.003 0.000 1.035 338 V CA 0.863 63.149 62.300 -0.024 0.000 1.035 338 V CB -0.411 31.398 31.823 -0.024 0.000 0.673 338 V HN 0.312 nan 8.190 nan 0.000 0.457 339 D N 0.994 121.405 120.400 0.017 0.000 2.600 339 D HA 0.108 4.748 4.640 0.000 0.000 0.226 339 D C 1.133 177.459 176.300 0.043 0.000 1.119 339 D CA 0.194 54.213 54.000 0.032 0.000 1.051 339 D CB 0.586 41.405 40.800 0.032 0.000 1.106 339 D HN 0.268 nan 8.370 nan 0.000 0.491 340 Q N -0.114 119.720 119.800 0.056 0.000 2.431 340 Q HA 0.023 4.363 4.340 0.000 0.000 0.244 340 Q C 0.099 176.148 176.000 0.082 0.000 0.880 340 Q CA 0.263 56.108 55.803 0.071 0.000 0.954 340 Q CB 0.537 29.327 28.738 0.086 0.000 1.105 340 Q HN 0.418 nan 8.270 nan 0.000 0.558 341 D N -0.739 119.717 120.400 0.093 0.000 2.798 341 D HA -0.114 4.526 4.640 0.000 0.000 0.237 341 D C -1.409 174.961 176.300 0.116 0.000 1.092 341 D CA 0.117 54.172 54.000 0.091 0.000 0.727 341 D CB -1.072 39.770 40.800 0.069 0.000 1.087 341 D HN -0.029 nan 8.370 nan 0.000 0.437 342 V N 1.769 121.785 119.914 0.169 0.000 2.304 342 V HA 0.418 4.538 4.120 0.000 0.000 0.269 342 V C 0.652 176.851 176.094 0.176 0.000 1.036 342 V CA -0.284 62.143 62.300 0.213 0.000 0.840 342 V CB 1.305 33.323 31.823 0.326 0.000 1.036 342 V HN 0.193 nan 8.190 nan 0.000 0.466 343 Q N 6.200 126.072 119.800 0.120 0.000 2.257 343 Q HA 0.552 4.892 4.340 0.000 0.000 0.262 343 Q C -2.347 173.650 176.000 -0.004 0.000 0.997 343 Q CA -1.622 54.203 55.803 0.036 0.000 0.873 343 Q CB 2.399 31.162 28.738 0.041 0.000 1.312 343 Q HN 0.488 nan 8.270 nan 0.000 0.450 344 P HA 0.251 nan 4.420 nan 0.000 0.279 344 P C -1.264 176.041 177.300 0.009 0.000 1.276 344 P CA -0.508 62.428 63.100 -0.272 0.000 0.801 344 P CB 0.579 32.063 31.700 -0.360 0.000 1.127 345 A N 0.817 123.688 122.820 0.085 0.000 2.407 345 A HA 0.195 4.516 4.320 0.000 0.000 0.248 345 A C 0.594 178.200 177.584 0.037 0.000 1.082 345 A CA -0.247 51.812 52.037 0.036 0.000 0.785 345 A CB -0.407 18.579 19.000 -0.024 0.000 1.020 345 A HN 0.526 nan 8.150 nan 0.000 0.489 346 R N 0.777 121.226 120.500 -0.085 0.000 2.494 346 R HA 0.040 4.380 4.340 0.000 0.000 0.291 346 R C -0.681 175.500 176.300 -0.199 0.000 0.953 346 R CA 1.743 57.655 56.100 -0.314 0.000 1.098 346 R CB -0.919 29.011 30.300 -0.617 0.000 0.911 346 R HN 0.842 nan 8.270 nan 0.000 0.407 347 Y N -0.766 119.655 120.300 0.202 0.000 4.943 347 Y HA -0.365 4.185 4.550 0.000 0.000 0.258 347 Y C 0.301 176.191 175.900 -0.016 0.000 0.930 347 Y CA 0.595 58.800 58.100 0.175 0.000 1.902 347 Y CB -1.806 36.708 38.460 0.089 0.000 1.386 347 Y HN 0.695 nan 8.280 nan 0.000 0.558 348 H N 0.683 119.862 119.070 0.181 0.000 2.812 348 H HA 0.766 5.322 4.556 -0.000 0.000 0.355 348 H C 0.159 175.497 175.328 0.016 0.000 1.207 348 H CA -0.554 55.557 56.048 0.106 0.000 1.217 348 H CB 2.132 31.918 29.762 0.041 0.000 1.874 348 H HN 0.107 nan 8.280 nan 0.000 0.581 349 I N -1.104 119.515 120.570 0.082 0.000 2.412 349 I HA 0.490 4.660 4.170 0.000 0.000 0.296 349 I C 0.845 176.743 176.117 -0.365 0.000 0.987 349 I CA -0.913 60.341 61.300 -0.078 0.000 1.180 349 I CB 1.924 39.919 38.000 -0.007 0.000 1.340 349 I HN 0.544 nan 8.210 nan 0.000 0.455 350 A N 5.347 127.876 122.820 -0.485 0.000 1.898 350 A HA 0.270 4.590 4.320 0.000 0.000 0.214 350 A C 0.500 177.498 177.584 -0.978 0.000 1.183 350 A CA 1.078 52.541 52.037 -0.956 0.000 0.622 350 A CB -0.215 18.423 19.000 -0.603 0.000 0.824 350 A HN 0.676 nan 8.150 nan 0.000 0.444 351 F N -2.200 117.679 119.950 -0.118 0.000 2.585 351 F HA 0.613 5.140 4.527 -0.000 0.000 0.319 351 F C 0.435 176.132 175.800 -0.172 0.000 1.165 351 F CA 0.001 57.982 58.000 -0.031 0.000 0.949 351 F CB 1.986 41.045 39.000 0.097 0.000 1.218 351 F HN 0.309 nan 8.300 nan 0.000 0.453 352 G N 2.117 110.805 108.800 -0.186 0.000 2.494 352 G HA2 0.565 4.525 3.960 0.000 0.000 0.308 352 G HA3 0.565 4.525 3.960 0.000 0.000 0.308 352 G C -3.379 171.099 174.900 -0.702 0.000 1.263 352 G CA -1.262 43.266 45.100 -0.953 0.000 0.840 352 G HN 0.190 nan 8.290 nan 0.000 0.479 353 P HA 0.357 nan 4.420 nan 0.000 0.267 353 P C -0.554 176.580 177.300 -0.277 0.000 1.201 353 P CA 0.006 62.869 63.100 -0.395 0.000 0.775 353 P CB 0.961 32.413 31.700 -0.414 0.000 0.854 354 V N 2.524 122.321 119.914 -0.194 0.000 2.760 354 V HA 0.150 4.270 4.120 0.000 0.000 0.309 354 V C -0.136 175.830 176.094 -0.214 0.000 1.077 354 V CA -0.901 61.269 62.300 -0.217 0.000 0.910 354 V CB 2.372 34.114 31.823 -0.135 0.000 1.008 354 V HN 0.160 nan 8.190 nan 0.000 0.424 355 V N 4.233 123.976 119.914 -0.285 0.000 2.400 355 V HA 0.074 4.194 4.120 0.000 0.000 0.263 355 V C 0.931 176.954 176.094 -0.118 0.000 1.026 355 V CA 0.523 62.707 62.300 -0.194 0.000 1.077 355 V CB 0.002 31.697 31.823 -0.214 0.000 1.054 355 V HN 1.112 nan 8.190 nan 0.000 0.477 356 D N 2.853 123.203 120.400 -0.083 0.000 2.417 356 D HA 0.146 4.786 4.640 0.000 0.000 0.207 356 D C 1.469 177.761 176.300 -0.013 0.000 1.075 356 D CA 0.680 54.650 54.000 -0.049 0.000 0.851 356 D CB 0.521 41.286 40.800 -0.059 0.000 0.976 356 D HN 0.727 nan 8.370 nan 0.000 0.505 357 G N 0.884 109.679 108.800 -0.008 0.000 2.148 357 G HA2 -0.320 3.640 3.960 0.000 0.000 0.254 357 G HA3 -0.320 3.640 3.960 0.000 0.000 0.254 357 G C 0.353 175.288 174.900 0.059 0.000 0.981 357 G CA 0.785 45.896 45.100 0.018 0.000 0.670 357 G HN 0.565 nan 8.290 nan 0.000 0.528 358 D N -1.720 118.719 120.400 0.066 0.000 3.106 358 D HA 0.212 4.852 4.640 0.000 0.000 0.216 358 D C 2.172 178.525 176.300 0.088 0.000 1.540 358 D CA 1.203 55.295 54.000 0.154 0.000 1.389 358 D CB -0.308 40.560 40.800 0.115 0.000 1.080 358 D HN 0.391 nan 8.370 nan 0.000 0.270 359 V N 0.343 120.107 119.914 -0.251 0.000 2.453 359 V HA 0.166 4.287 4.120 0.000 0.000 0.247 359 V C 0.308 176.295 176.094 -0.178 0.000 1.048 359 V CA 1.141 63.067 62.300 -0.623 0.000 1.049 359 V CB 0.277 31.779 31.823 -0.536 0.000 0.672 359 V HN 0.145 nan 8.190 nan 0.000 0.457 360 V N 2.223 122.091 119.914 -0.078 0.000 2.250 360 V HA 0.331 4.451 4.120 0.000 0.000 0.268 360 V C -1.493 174.605 176.094 0.007 0.000 1.043 360 V CA -0.931 61.359 62.300 -0.016 0.000 0.814 360 V CB 0.611 32.401 31.823 -0.055 0.000 1.072 360 V HN 0.376 nan 8.190 nan 0.000 0.451 361 P HA -0.106 nan 4.420 nan 0.000 0.217 361 P C 0.319 177.624 177.300 0.008 0.000 1.148 361 P CA 1.517 64.631 63.100 0.024 0.000 0.834 361 P CB 0.416 32.109 31.700 -0.011 0.000 0.783 362 D N -3.412 116.996 120.400 0.013 0.000 2.838 362 D HA 0.125 4.765 4.640 0.000 0.000 0.334 362 D C -1.255 175.061 176.300 0.026 0.000 1.315 362 D CA -0.665 53.346 54.000 0.018 0.000 0.917 362 D CB 0.331 41.147 40.800 0.025 0.000 1.435 362 D HN -0.357 nan 8.370 nan 0.000 0.517 363 D N 1.179 121.617 120.400 0.063 0.000 2.450 363 D HA 0.132 4.772 4.640 0.000 0.000 0.247 363 D C -1.511 174.844 176.300 0.092 0.000 1.162 363 D CA -0.920 53.154 54.000 0.122 0.000 0.879 363 D CB 0.775 41.684 40.800 0.181 0.000 1.163 363 D HN 0.074 nan 8.370 nan 0.000 0.472 364 P HA -0.212 nan 4.420 nan 0.000 0.217 364 P C 1.228 178.568 177.300 0.067 0.000 1.151 364 P CA 1.145 64.285 63.100 0.068 0.000 0.849 364 P CB 0.340 32.075 31.700 0.058 0.000 0.787 365 E N -0.644 119.594 120.200 0.063 0.000 2.106 365 E HA -0.140 4.210 4.350 0.000 0.000 0.192 365 E C 1.881 178.517 176.600 0.059 0.000 0.984 365 E CA 0.825 57.255 56.400 0.049 0.000 0.806 365 E CB -0.445 29.266 29.700 0.018 0.000 0.750 365 E HN 0.158 nan 8.360 nan 0.000 0.458 366 I N 0.795 121.399 120.570 0.056 0.000 2.252 366 I HA -0.271 3.899 4.170 0.000 0.000 0.245 366 I C 2.311 178.466 176.117 0.064 0.000 1.102 366 I CA 0.776 62.107 61.300 0.052 0.000 1.385 366 I CB -0.232 37.793 38.000 0.042 0.000 1.064 366 I HN 0.188 nan 8.210 nan 0.000 0.414 367 L N -0.165 121.103 121.223 0.074 0.000 2.079 367 L HA -0.237 4.103 4.340 0.000 0.000 0.210 367 L C 2.642 179.602 176.870 0.149 0.000 1.081 367 L CA 1.535 56.432 54.840 0.095 0.000 0.752 367 L CB -0.433 41.685 42.059 0.100 0.000 0.896 367 L HN 0.306 nan 8.230 nan 0.000 0.433 368 M N -1.041 118.649 119.600 0.151 0.000 2.099 368 M HA -0.217 4.263 4.480 0.000 0.000 0.262 368 M C 2.265 178.728 176.300 0.272 0.000 1.067 368 M CA 1.774 57.209 55.300 0.226 0.000 1.124 368 M CB -0.267 32.409 32.600 0.128 0.000 1.353 368 M HN 0.199 nan 8.290 nan 0.000 0.410 369 Q N -0.365 119.549 119.800 0.190 0.000 2.230 369 Q HA -0.171 4.169 4.340 0.000 0.000 0.202 369 Q C 2.010 178.084 176.000 0.124 0.000 0.963 369 Q CA 1.009 56.932 55.803 0.200 0.000 0.866 369 Q CB -0.082 28.733 28.738 0.128 0.000 0.931 369 Q HN 0.523 nan 8.270 nan 0.000 0.452 370 Q N -0.010 119.822 119.800 0.053 0.000 2.124 370 Q HA -0.087 4.253 4.340 0.000 0.000 0.202 370 Q C 0.552 176.457 176.000 -0.157 0.000 0.977 370 Q CA 0.965 56.756 55.803 -0.020 0.000 0.850 370 Q CB -0.031 28.704 28.738 -0.006 0.000 0.901 370 Q HN 0.518 nan 8.270 nan 0.000 0.429 371 G N 1.070 109.701 108.800 -0.281 0.000 2.333 371 G HA2 -0.287 3.673 3.960 0.000 0.000 0.296 371 G HA3 -0.287 3.673 3.960 0.000 0.000 0.296 371 G C -0.192 174.223 174.900 -0.808 0.000 1.059 371 G CA 0.640 45.184 45.100 -0.926 0.000 1.050 371 G HN 0.495 nan 8.290 nan 0.000 0.508 372 E N -1.006 118.927 120.200 -0.446 0.000 2.499 372 E HA 0.285 4.635 4.350 0.000 0.000 0.199 372 E C 0.713 177.214 176.600 -0.165 0.000 1.016 372 E CA -0.576 55.658 56.400 -0.276 0.000 0.933 372 E CB 0.181 29.812 29.700 -0.116 0.000 1.050 372 E HN 0.698 nan 8.360 nan 0.000 0.462 373 F N -0.656 119.232 119.950 -0.103 0.000 2.377 373 F HA 0.479 5.006 4.527 0.000 0.000 0.328 373 F C -0.064 175.666 175.800 -0.116 0.000 1.094 373 F CA -1.649 56.341 58.000 -0.017 0.000 1.093 373 F CB 0.321 39.387 39.000 0.110 0.000 1.214 373 F HN -0.333 nan 8.300 nan 0.000 0.518 374 L N 2.039 123.252 121.223 -0.017 0.000 2.456 374 L HA 0.108 4.448 4.340 0.000 0.000 0.272 374 L C 0.112 176.776 176.870 -0.343 0.000 1.189 374 L CA 0.351 54.960 54.840 -0.385 0.000 0.846 374 L CB -0.087 41.501 42.059 -0.784 0.000 1.111 374 L HN 0.599 nan 8.230 nan 0.000 0.475 375 N N 2.418 120.997 118.700 -0.202 0.000 2.819 375 N HA 0.097 4.837 4.740 0.000 0.000 0.284 375 N C -1.128 174.376 175.510 -0.009 0.000 1.196 375 N CA -0.174 52.892 53.050 0.027 0.000 1.114 375 N CB -0.263 38.256 38.487 0.054 0.000 1.437 375 N HN 0.343 nan 8.380 nan 0.000 0.518 376 Y N 0.272 120.699 120.300 0.211 0.000 2.457 376 Y HA 0.010 4.560 4.550 0.000 0.000 0.341 376 Y C 0.848 176.861 175.900 0.188 0.000 1.240 376 Y CA -0.475 57.721 58.100 0.159 0.000 1.437 376 Y CB 0.382 38.964 38.460 0.202 0.000 1.328 376 Y HN 0.315 nan 8.280 nan 0.000 0.588 377 D N 3.133 123.722 120.400 0.316 0.000 2.343 377 D HA 0.180 4.820 4.640 0.000 0.000 0.255 377 D C -0.230 176.406 176.300 0.560 0.000 1.187 377 D CA 0.389 54.569 54.000 0.299 0.000 0.875 377 D CB 0.356 41.139 40.800 -0.028 0.000 1.136 377 D HN 0.355 nan 8.370 nan 0.000 0.469 378 M N 1.852 121.741 119.600 0.482 0.000 2.508 378 M HA 0.451 4.931 4.480 0.000 0.000 0.327 378 M C -0.721 175.559 176.300 -0.034 0.000 1.160 378 M CA -1.132 54.313 55.300 0.242 0.000 0.980 378 M CB 2.228 34.865 32.600 0.063 0.000 1.693 378 M HN 0.142 nan 8.290 nan 0.000 0.452 379 L N 4.303 125.277 121.223 -0.416 0.000 2.485 379 L HA 0.521 4.861 4.340 0.000 0.000 0.260 379 L C -1.373 175.268 176.870 -0.382 0.000 0.998 379 L CA -0.174 54.284 54.840 -0.636 0.000 0.883 379 L CB 0.763 41.954 42.059 -1.448 0.000 1.196 379 L HN 0.502 nan 8.230 nan 0.000 0.443 380 I N 2.934 123.302 120.570 -0.336 0.000 2.525 380 I HA 0.887 5.057 4.170 0.000 0.000 0.301 380 I C 0.669 176.249 176.117 -0.895 0.000 0.992 380 I CA -0.440 60.561 61.300 -0.498 0.000 1.162 380 I CB 1.336 39.004 38.000 -0.554 0.000 1.332 380 I HN 0.659 nan 8.210 nan 0.000 0.458 381 G N 3.418 111.583 108.800 -1.058 0.000 2.608 381 G HA2 0.668 4.628 3.960 0.000 0.000 0.291 381 G HA3 0.668 4.628 3.960 0.000 0.000 0.291 381 G C -1.390 172.864 174.900 -1.077 0.000 1.425 381 G CA -0.450 43.558 45.100 -1.820 0.000 0.787 381 G HN 0.651 nan 8.290 nan 0.000 0.484 382 V N -2.238 117.175 119.914 -0.835 0.000 3.130 382 V HA 0.827 4.947 4.120 0.000 0.000 0.310 382 V C -0.922 175.068 176.094 -0.172 0.000 1.158 382 V CA -1.482 60.625 62.300 -0.322 0.000 1.029 382 V CB 1.853 33.611 31.823 -0.108 0.000 1.057 382 V HN 0.636 nan 8.190 nan 0.000 0.436 383 N N 0.919 119.551 118.700 -0.114 0.000 2.482 383 N HA 0.390 5.130 4.740 0.000 0.000 0.279 383 N C 0.684 176.080 175.510 -0.189 0.000 1.182 383 N CA -0.342 52.663 53.050 -0.074 0.000 0.969 383 N CB 1.305 39.759 38.487 -0.054 0.000 1.201 383 N HN 0.946 nan 8.380 nan 0.000 0.523 384 Q N 0.470 120.044 119.800 -0.377 0.000 1.975 384 Q HA -0.051 4.289 4.340 0.000 0.000 0.205 384 Q C 0.152 176.042 176.000 -0.184 0.000 0.990 384 Q CA 1.612 57.090 55.803 -0.541 0.000 0.845 384 Q CB -0.367 27.820 28.738 -0.918 0.000 0.913 384 Q HN 0.739 nan 8.270 nan 0.000 0.420 385 G N 0.488 109.198 108.800 -0.151 0.000 4.829 385 G HA2 0.159 4.119 3.960 0.000 0.000 0.320 385 G HA3 0.159 4.119 3.960 0.000 0.000 0.320 385 G C 0.129 175.006 174.900 -0.038 0.000 1.445 385 G CA -0.398 44.689 45.100 -0.021 0.000 1.151 385 G HN 0.334 nan 8.290 nan 0.000 0.572 386 E N 0.974 121.092 120.200 -0.138 0.000 2.070 386 E HA -0.131 4.219 4.350 0.000 0.000 0.197 386 E C 2.020 178.512 176.600 -0.181 0.000 1.004 386 E CA 1.216 57.376 56.400 -0.399 0.000 0.805 386 E CB 0.092 29.116 29.700 -1.128 0.000 0.744 386 E HN 0.405 nan 8.360 nan 0.000 0.451 387 G N 2.108 111.027 108.800 0.198 0.000 3.471 387 G HA2 0.064 4.024 3.960 0.000 0.000 0.254 387 G HA3 0.064 4.024 3.960 0.000 0.000 0.254 387 G C 0.974 176.153 174.900 0.466 0.000 1.199 387 G CA -0.293 45.195 45.100 0.647 0.000 1.683 387 G HN 0.046 nan 8.290 nan 0.000 0.625 388 L N 0.072 121.470 121.223 0.291 0.000 2.042 388 L HA -0.025 4.315 4.340 0.000 0.000 0.210 388 L C 2.368 179.396 176.870 0.264 0.000 1.076 388 L CA 1.616 56.605 54.840 0.248 0.000 0.749 388 L CB -0.238 41.894 42.059 0.123 0.000 0.893 388 L HN 0.211 nan 8.230 nan 0.000 0.432 389 K N -0.933 119.622 120.400 0.258 0.000 2.281 389 K HA -0.227 4.093 4.320 0.000 0.000 0.203 389 K C 1.994 178.718 176.600 0.206 0.000 1.046 389 K CA 1.138 57.551 56.287 0.211 0.000 0.938 389 K CB -0.577 32.046 32.500 0.204 0.000 0.737 389 K HN 0.328 nan 8.250 nan 0.000 0.458 390 F N 0.975 120.956 119.950 0.052 0.000 2.234 390 F HA -0.139 4.389 4.527 0.001 0.000 0.299 390 F C 1.037 176.835 175.800 -0.004 0.000 1.087 390 F CA 0.705 58.626 58.000 -0.132 0.000 1.340 390 F CB 0.497 39.297 39.000 -0.334 0.000 1.031 390 F HN -0.317 nan 8.300 nan 0.000 0.500 391 V N 0.812 120.806 119.914 0.133 0.000 2.776 391 V HA 0.098 4.218 4.120 0.000 0.000 0.332 391 V C 0.833 177.029 176.094 0.170 0.000 1.201 391 V CA -0.086 62.268 62.300 0.090 0.000 1.401 391 V CB 0.161 32.105 31.823 0.202 0.000 1.552 391 V HN 0.306 nan 8.190 nan 0.000 0.605 392 E N 1.785 122.041 120.200 0.095 0.000 2.102 392 E HA -0.140 4.210 4.350 0.000 0.000 0.190 392 E C 1.569 178.222 176.600 0.087 0.000 0.971 392 E CA 1.204 57.669 56.400 0.109 0.000 0.821 392 E CB 0.283 30.030 29.700 0.077 0.000 0.777 392 E HN 0.868 nan 8.360 nan 0.000 0.460 393 D N 0.128 120.554 120.400 0.042 0.000 2.393 393 D HA -0.130 4.510 4.640 0.000 0.000 0.220 393 D C 0.954 177.284 176.300 0.050 0.000 0.974 393 D CA 0.451 54.470 54.000 0.033 0.000 0.931 393 D CB -0.134 40.669 40.800 0.005 0.000 0.889 393 D HN -0.114 nan 8.370 nan 0.000 0.512 394 S N -1.134 114.617 115.700 0.085 0.000 2.694 394 S HA 0.635 5.105 4.470 0.000 0.000 0.211 394 S C 0.848 175.580 174.600 0.219 0.000 1.328 394 S CA -0.169 58.095 58.200 0.107 0.000 1.236 394 S CB -0.269 62.967 63.200 0.060 0.000 1.121 394 S HN 0.349 nan 8.310 nan 0.000 0.517 395 A N 1.337 124.265 122.820 0.179 0.000 1.942 395 A HA 0.426 4.746 4.320 0.000 0.000 0.209 395 A C 0.837 178.514 177.584 0.155 0.000 1.214 395 A CA 0.159 52.316 52.037 0.200 0.000 0.686 395 A CB -0.036 19.035 19.000 0.118 0.000 0.871 395 A HN 0.520 nan 8.150 nan 0.000 0.460 396 E N 0.433 120.692 120.200 0.099 0.000 2.127 396 E HA 0.462 4.812 4.350 0.000 0.000 0.262 396 E C 0.121 176.756 176.600 0.058 0.000 1.144 396 E CA -0.057 56.386 56.400 0.072 0.000 1.144 396 E CB 0.555 30.283 29.700 0.047 0.000 1.297 396 E HN 0.357 nan 8.360 nan 0.000 0.469 397 S N 1.227 116.967 115.700 0.066 0.000 3.039 397 S HA 0.029 4.499 4.470 0.000 0.000 0.251 397 S C 0.515 175.127 174.600 0.020 0.000 1.064 397 S CA -0.071 58.148 58.200 0.033 0.000 0.822 397 S CB 0.426 63.639 63.200 0.020 0.000 0.802 397 S HN 0.351 nan 8.310 nan 0.000 0.519 398 E N 0.898 121.117 120.200 0.032 0.000 4.277 398 E HA -0.240 4.111 4.350 0.000 0.000 0.189 398 E C 0.263 176.855 176.600 -0.014 0.000 1.264 398 E CA 2.069 58.481 56.400 0.020 0.000 2.321 398 E CB -1.802 27.912 29.700 0.023 0.000 1.841 398 E HN 0.376 nan 8.360 nan 0.000 0.373 399 D N 2.958 123.346 120.400 -0.020 0.000 2.390 399 D HA 0.227 4.867 4.640 0.000 0.000 0.235 399 D C 1.316 177.578 176.300 -0.064 0.000 1.040 399 D CA 1.587 55.565 54.000 -0.037 0.000 0.923 399 D CB -0.431 40.352 40.800 -0.028 0.000 0.886 399 D HN 0.558 nan 8.370 nan 0.000 0.532 400 G N 0.033 108.785 108.800 -0.079 0.000 2.547 400 G HA2 -0.291 3.669 3.960 0.000 0.000 0.271 400 G HA3 -0.291 3.669 3.960 0.000 0.000 0.271 400 G C 0.091 174.939 174.900 -0.086 0.000 1.209 400 G CA 0.210 45.234 45.100 -0.127 0.000 0.959 400 G HN 0.564 nan 8.290 nan 0.000 0.563 401 V N -1.037 118.823 119.914 -0.091 0.000 2.439 401 V HA 0.747 4.867 4.120 0.000 0.000 0.282 401 V C 0.881 176.958 176.094 -0.028 0.000 1.039 401 V CA 0.246 62.526 62.300 -0.034 0.000 0.913 401 V CB 0.747 32.576 31.823 0.010 0.000 0.983 401 V HN 2.013 nan 8.190 nan 0.000 0.460 402 S N 4.031 119.731 115.700 -0.001 0.000 2.617 402 S HA 0.536 5.006 4.470 0.000 0.000 0.259 402 S C 1.439 176.073 174.600 0.057 0.000 1.301 402 S CA 0.026 58.228 58.200 0.005 0.000 0.984 402 S CB 1.165 64.369 63.200 0.006 0.000 0.954 402 S HN 1.665 nan 8.310 nan 0.000 0.572 403 A N 1.143 123.994 122.820 0.051 0.000 1.930 403 A HA 0.015 4.335 4.320 0.000 0.000 0.217 403 A C 2.333 180.025 177.584 0.180 0.000 1.175 403 A CA 1.615 53.732 52.037 0.133 0.000 0.627 403 A CB -1.535 17.513 19.000 0.080 0.000 0.815 403 A HN 0.820 nan 8.150 nan 0.000 0.443 404 S N 0.273 116.035 115.700 0.103 0.000 2.359 404 S HA -0.103 4.367 4.470 0.000 0.000 0.224 404 S C 2.259 176.921 174.600 0.104 0.000 1.035 404 S CA 1.339 59.589 58.200 0.082 0.000 1.018 404 S CB -0.483 62.731 63.200 0.023 0.000 0.876 404 S HN 0.807 nan 8.310 nan 0.000 0.448 405 A N 0.633 123.510 122.820 0.094 0.000 1.968 405 A HA 0.060 4.380 4.320 0.000 0.000 0.217 405 A C 1.846 179.557 177.584 0.213 0.000 1.169 405 A CA 0.938 53.044 52.037 0.115 0.000 0.638 405 A CB -0.651 18.386 19.000 0.061 0.000 0.812 405 A HN 0.461 nan 8.150 nan 0.000 0.446 406 F N 1.439 121.423 119.950 0.057 0.000 2.039 406 F HA -0.123 4.404 4.527 -0.000 0.000 0.294 406 F C 1.672 177.526 175.800 0.090 0.000 1.130 406 F CA 2.088 60.117 58.000 0.048 0.000 1.189 406 F CB -0.492 38.510 39.000 0.003 0.000 0.983 406 F HN 0.233 nan 8.300 nan 0.000 0.471 407 D N -0.078 120.344 120.400 0.035 0.000 2.190 407 D HA -0.228 4.412 4.640 0.000 0.000 0.200 407 D C 2.003 178.301 176.300 -0.003 0.000 0.992 407 D CA 1.418 55.388 54.000 -0.050 0.000 0.854 407 D CB -0.633 40.227 40.800 0.100 0.000 0.936 407 D HN 0.336 nan 8.370 nan 0.000 0.462 408 F N 1.334 121.249 119.950 -0.058 0.000 2.039 408 F HA -0.208 4.320 4.527 0.001 0.000 0.294 408 F C 2.415 178.189 175.800 -0.045 0.000 1.130 408 F CA 1.596 59.576 58.000 -0.033 0.000 1.189 408 F CB -0.798 38.193 39.000 -0.015 0.000 0.983 408 F HN -0.122 nan 8.300 nan 0.000 0.471 409 T N -0.133 114.429 114.554 0.013 0.000 2.699 409 T HA -0.236 4.114 4.350 0.000 0.000 0.268 409 T C 2.106 176.769 174.700 -0.062 0.000 1.036 409 T CA 1.660 63.706 62.100 -0.089 0.000 1.147 409 T CB -0.936 67.879 68.868 -0.087 0.000 0.862 409 T HN 0.247 nan 8.240 nan 0.000 0.446 410 V N 0.779 120.591 119.914 -0.170 0.000 2.626 410 V HA -0.106 4.014 4.120 0.000 0.000 0.252 410 V C 2.537 178.657 176.094 0.043 0.000 1.067 410 V CA 2.087 64.313 62.300 -0.123 0.000 1.081 410 V CB -0.401 31.168 31.823 -0.424 0.000 0.686 410 V HN 0.538 nan 8.190 nan 0.000 0.468 411 S N 2.171 117.836 115.700 -0.058 0.000 2.329 411 S HA -0.171 4.299 4.470 0.000 0.000 0.215 411 S C 1.534 176.128 174.600 -0.009 0.000 1.031 411 S CA 1.782 59.961 58.200 -0.035 0.000 0.985 411 S CB -0.608 62.537 63.200 -0.092 0.000 0.917 411 S HN 0.912 nan 8.310 nan 0.000 0.441 412 N N 0.666 119.292 118.700 -0.123 0.000 2.485 412 N HA 0.082 4.822 4.740 0.000 0.000 0.199 412 N C 0.813 176.397 175.510 0.123 0.000 1.236 412 N CA 0.209 53.213 53.050 -0.075 0.000 0.852 412 N CB -0.553 37.791 38.487 -0.239 0.000 1.018 412 N HN 0.568 nan 8.380 nan 0.000 0.457 413 F N 0.128 120.125 119.950 0.079 0.000 2.262 413 F HA 0.172 4.699 4.527 -0.000 0.000 0.292 413 F C 1.638 177.557 175.800 0.198 0.000 1.081 413 F CA 0.338 58.468 58.000 0.217 0.000 1.355 413 F CB -0.036 39.087 39.000 0.204 0.000 1.069 413 F HN -0.061 nan 8.300 nan 0.000 0.506 414 V N 0.941 120.988 119.914 0.222 0.000 2.358 414 V HA -0.259 3.861 4.120 0.000 0.000 0.246 414 V C 2.017 178.195 176.094 0.139 0.000 1.047 414 V CA 2.142 64.557 62.300 0.192 0.000 1.035 414 V CB -0.759 31.170 31.823 0.177 0.000 0.658 414 V HN 0.288 nan 8.190 nan 0.000 0.452 415 D N 0.525 120.968 120.400 0.072 0.000 2.104 415 D HA -0.150 4.490 4.640 0.000 0.000 0.194 415 D C 1.961 178.265 176.300 0.006 0.000 0.994 415 D CA 1.286 55.300 54.000 0.022 0.000 0.830 415 D CB -0.445 40.346 40.800 -0.014 0.000 0.959 415 D HN 0.352 nan 8.370 nan 0.000 0.452 416 N N -0.210 118.505 118.700 0.024 0.000 2.550 416 N HA 0.003 4.743 4.740 0.000 0.000 0.186 416 N C 1.352 176.898 175.510 0.061 0.000 1.110 416 N CA 0.260 53.338 53.050 0.046 0.000 0.912 416 N CB 0.480 39.023 38.487 0.094 0.000 0.968 416 N HN 0.256 nan 8.380 nan 0.000 0.448 417 L N -1.863 119.306 121.223 -0.089 0.000 2.993 417 L HA 0.248 4.588 4.340 0.000 0.000 0.264 417 L C -0.497 176.026 176.870 -0.579 0.000 1.154 417 L CA 0.028 54.668 54.840 -0.332 0.000 0.972 417 L CB 0.474 42.142 42.059 -0.651 0.000 1.373 417 L HN -0.074 nan 8.230 nan 0.000 0.564 418 Y N -1.643 118.632 120.300 -0.041 0.000 2.889 418 Y HA 0.710 5.260 4.550 -0.000 0.000 0.317 418 Y C 0.917 176.771 175.900 -0.077 0.000 1.414 418 Y CA -0.411 57.705 58.100 0.026 0.000 1.091 418 Y CB 1.244 39.766 38.460 0.103 0.000 1.358 418 Y HN -0.327 nan 8.280 nan 0.000 0.487 419 G N -1.358 107.475 108.800 0.055 0.000 4.616 419 G HA2 0.048 4.008 3.960 0.000 0.000 0.214 419 G HA3 0.048 4.008 3.960 0.000 0.000 0.214 419 G C -1.289 173.456 174.900 -0.258 0.000 0.653 419 G CA -0.287 44.697 45.100 -0.193 0.000 0.816 419 G HN 0.341 nan 8.290 nan 0.000 0.601 420 Y N 1.084 121.456 120.300 0.119 0.000 2.361 420 Y HA 0.537 5.087 4.550 0.001 0.000 0.332 420 Y C -1.957 173.983 175.900 0.067 0.000 1.101 420 Y CA -2.469 55.685 58.100 0.090 0.000 1.137 420 Y CB 1.154 39.681 38.460 0.111 0.000 1.207 420 Y HN -0.120 nan 8.280 nan 0.000 0.463 421 P HA -0.111 nan 4.420 nan 0.000 0.263 421 P C 0.237 177.588 177.300 0.084 0.000 1.168 421 P CA 1.038 64.206 63.100 0.113 0.000 0.759 421 P CB 0.465 32.227 31.700 0.104 0.000 0.782 422 E N 1.199 121.429 120.200 0.050 0.000 4.625 422 E HA -0.234 4.116 4.350 0.000 0.000 0.165 422 E C 1.706 178.309 176.600 0.004 0.000 1.173 422 E CA 2.233 58.648 56.400 0.025 0.000 2.452 422 E CB -1.988 27.725 29.700 0.022 0.000 1.745 422 E HN 0.632 nan 8.360 nan 0.000 0.486 423 G N 1.474 110.274 108.800 -0.000 0.000 2.514 423 G HA2 -0.357 3.603 3.960 0.000 0.000 0.217 423 G HA3 -0.357 3.603 3.960 0.000 0.000 0.217 423 G C 1.445 176.325 174.900 -0.033 0.000 1.198 423 G CA 2.021 47.081 45.100 -0.066 0.000 0.780 423 G HN 0.272 nan 8.290 nan 0.000 0.565 424 K N 0.546 120.958 120.400 0.020 0.000 2.090 424 K HA -0.196 4.125 4.320 0.000 0.000 0.218 424 K C 2.042 178.651 176.600 0.015 0.000 1.055 424 K CA 2.265 58.567 56.287 0.024 0.000 0.941 424 K CB -0.457 32.062 32.500 0.031 0.000 0.722 424 K HN 0.312 nan 8.250 nan 0.000 0.458 425 D N -1.492 118.916 120.400 0.014 0.000 2.201 425 D HA -0.001 4.639 4.640 0.000 0.000 0.209 425 D C 1.953 178.262 176.300 0.014 0.000 0.961 425 D CA 0.771 54.782 54.000 0.018 0.000 0.861 425 D CB -0.148 40.664 40.800 0.019 0.000 0.997 425 D HN -0.007 nan 8.370 nan 0.000 0.486 426 V N 1.555 121.469 119.914 -0.001 0.000 2.239 426 V HA -0.141 3.979 4.120 0.000 0.000 0.242 426 V C 2.484 178.573 176.094 -0.008 0.000 1.038 426 V CA 0.913 63.210 62.300 -0.006 0.000 1.002 426 V CB -0.424 31.386 31.823 -0.021 0.000 0.641 426 V HN 0.243 nan 8.190 nan 0.000 0.449 427 L N 0.605 121.794 121.223 -0.057 0.000 2.051 427 L HA -0.258 4.082 4.340 0.000 0.000 0.214 427 L C 2.662 179.535 176.870 0.005 0.000 1.076 427 L CA 2.450 57.237 54.840 -0.088 0.000 0.758 427 L CB -0.920 40.986 42.059 -0.255 0.000 0.890 427 L HN 0.393 nan 8.230 nan 0.000 0.433 428 R N -0.408 120.103 120.500 0.020 0.000 2.081 428 R HA -0.169 4.172 4.340 0.000 0.000 0.235 428 R C 1.953 178.305 176.300 0.086 0.000 1.131 428 R CA 1.424 57.562 56.100 0.064 0.000 0.960 428 R CB -0.037 30.292 30.300 0.048 0.000 0.856 428 R HN 0.419 nan 8.270 nan 0.000 0.436 429 E N -0.298 119.951 120.200 0.081 0.000 2.107 429 E HA -0.118 4.232 4.350 0.000 0.000 0.191 429 E C 1.848 178.544 176.600 0.161 0.000 0.982 429 E CA 1.503 57.971 56.400 0.113 0.000 0.809 429 E CB -0.325 29.426 29.700 0.086 0.000 0.756 429 E HN 0.360 nan 8.360 nan 0.000 0.459 430 T N 1.237 115.872 114.554 0.135 0.000 2.857 430 T HA -0.066 4.284 4.350 0.000 0.000 0.266 430 T C 2.095 176.943 174.700 0.246 0.000 1.048 430 T CA 1.097 63.298 62.100 0.169 0.000 1.139 430 T CB -0.220 68.719 68.868 0.119 0.000 0.874 430 T HN 0.315 nan 8.240 nan 0.000 0.455 431 I N -1.514 119.210 120.570 0.256 0.000 2.546 431 I HA 0.063 4.233 4.170 0.000 0.000 0.255 431 I C 2.320 178.596 176.117 0.265 0.000 1.163 431 I CA 1.117 62.573 61.300 0.260 0.000 1.457 431 I CB -0.350 37.860 38.000 0.350 0.000 1.092 431 I HN 0.091 nan 8.210 nan 0.000 0.434 432 K N 0.922 121.468 120.400 0.242 0.000 2.063 432 K HA -0.196 4.124 4.320 0.000 0.000 0.208 432 K C 2.058 178.861 176.600 0.338 0.000 1.048 432 K CA 2.088 58.548 56.287 0.288 0.000 0.928 432 K CB -0.419 32.224 32.500 0.240 0.000 0.713 432 K HN 0.411 nan 8.250 nan 0.000 0.442 433 F N 1.165 121.242 119.950 0.211 0.000 2.216 433 F HA -0.159 4.367 4.527 -0.000 0.000 0.300 433 F C 1.856 177.749 175.800 0.154 0.000 1.085 433 F CA 1.162 59.345 58.000 0.305 0.000 1.326 433 F CB 0.056 39.223 39.000 0.279 0.000 1.027 433 F HN -0.058 nan 8.300 nan 0.000 0.497 434 M N -1.320 118.263 119.600 -0.028 0.000 2.558 434 M HA -0.050 4.430 4.480 0.000 0.000 0.255 434 M C 0.388 176.352 176.300 -0.561 0.000 1.113 434 M CA 1.058 56.102 55.300 -0.426 0.000 1.097 434 M CB -0.938 31.159 32.600 -0.838 0.000 1.426 434 M HN 0.263 nan 8.290 nan 0.000 0.488 435 Y N -0.435 119.771 120.300 -0.158 0.000 2.675 435 Y HA 0.141 4.691 4.550 0.000 0.000 0.248 435 Y C 0.994 176.766 175.900 -0.212 0.000 1.161 435 Y CA -0.739 57.311 58.100 -0.084 0.000 1.203 435 Y CB 0.292 38.814 38.460 0.104 0.000 1.262 435 Y HN 0.050 nan 8.280 nan 0.000 0.544 436 T N -3.626 110.705 114.554 -0.371 0.000 2.907 436 T HA 0.181 4.531 4.350 0.000 0.000 0.284 436 T C 0.598 174.807 174.700 -0.817 0.000 1.004 436 T CA -0.495 61.147 62.100 -0.764 0.000 1.063 436 T CB 2.104 70.230 68.868 -1.237 0.000 0.992 436 T HN 0.161 nan 8.240 nan 0.000 0.483 437 D N 0.657 120.682 120.400 -0.627 0.000 2.162 437 D HA -0.018 4.622 4.640 0.000 0.000 0.203 437 D C 0.518 176.686 176.300 -0.220 0.000 0.967 437 D CA 1.103 54.882 54.000 -0.368 0.000 0.840 437 D CB -0.147 40.510 40.800 -0.238 0.000 0.972 437 D HN 0.892 nan 8.370 nan 0.000 0.482 438 W N -1.165 120.035 121.300 -0.166 0.000 0.688 438 W HA -0.434 4.227 4.660 0.000 0.000 0.217 438 W C 1.975 178.440 176.519 -0.089 0.000 0.919 438 W CA 0.711 57.982 57.345 -0.124 0.000 0.341 438 W CB -1.841 27.534 29.460 -0.141 0.000 1.913 438 W HN 0.086 nan 8.180 nan 0.000 1.347 439 A N -0.680 122.212 122.820 0.121 0.000 1.972 439 A HA -0.047 4.273 4.320 0.000 0.000 0.219 439 A C 0.766 178.357 177.584 0.013 0.000 1.169 439 A CA 2.172 54.239 52.037 0.051 0.000 0.635 439 A CB -0.235 18.776 19.000 0.017 0.000 0.810 439 A HN 0.268 nan 8.150 nan 0.000 0.446 440 D N -1.991 118.393 120.400 -0.027 0.000 2.375 440 D HA 0.276 4.916 4.640 0.000 0.000 0.241 440 D C 0.444 176.673 176.300 -0.118 0.000 1.361 440 D CA -0.413 53.553 54.000 -0.055 0.000 0.995 440 D CB 0.622 41.386 40.800 -0.059 0.000 1.312 440 D HN 0.358 nan 8.370 nan 0.000 0.576 441 R N 1.453 121.886 120.500 -0.112 0.000 2.437 441 R HA 0.304 4.644 4.340 0.000 0.000 0.257 441 R C -0.383 175.813 176.300 -0.174 0.000 0.927 441 R CA -0.125 55.851 56.100 -0.207 0.000 1.078 441 R CB 0.449 30.609 30.300 -0.234 0.000 1.161 441 R HN -0.069 nan 8.270 nan 0.000 0.529 442 D N 0.638 120.973 120.400 -0.110 0.000 2.349 442 D HA -0.009 4.631 4.640 0.000 0.000 0.214 442 D C -0.565 175.676 176.300 -0.099 0.000 1.063 442 D CA 0.196 54.143 54.000 -0.089 0.000 0.847 442 D CB 0.155 40.926 40.800 -0.049 0.000 0.933 442 D HN 0.292 nan 8.370 nan 0.000 0.513 443 N N 0.732 119.357 118.700 -0.124 0.000 2.462 443 N HA 0.136 4.876 4.740 0.000 0.000 0.242 443 N C 1.219 176.637 175.510 -0.153 0.000 1.010 443 N CA -0.248 52.730 53.050 -0.120 0.000 0.939 443 N CB 1.273 39.693 38.487 -0.111 0.000 1.127 443 N HN -0.045 nan 8.380 nan 0.000 0.509 444 G N 3.090 111.810 108.800 -0.134 0.000 2.421 444 G HA2 -0.301 3.659 3.960 0.000 0.000 0.216 444 G HA3 -0.301 3.659 3.960 0.000 0.000 0.216 444 G C 1.173 175.962 174.900 -0.185 0.000 1.171 444 G CA 0.814 45.825 45.100 -0.148 0.000 0.775 444 G HN 0.836 nan 8.290 nan 0.000 0.543 445 E N -0.545 119.545 120.200 -0.184 0.000 2.204 445 E HA -0.076 4.274 4.350 0.000 0.000 0.195 445 E C 1.959 178.405 176.600 -0.257 0.000 0.990 445 E CA 0.962 57.210 56.400 -0.254 0.000 0.821 445 E CB -0.205 29.376 29.700 -0.198 0.000 0.750 445 E HN 0.426 nan 8.360 nan 0.000 0.477 446 M N -0.011 119.475 119.600 -0.189 0.000 2.371 446 M HA 0.196 4.676 4.480 0.000 0.000 0.246 446 M C 1.685 177.873 176.300 -0.186 0.000 1.103 446 M CA 0.232 55.435 55.300 -0.162 0.000 1.010 446 M CB 0.556 33.083 32.600 -0.122 0.000 1.457 446 M HN -0.034 nan 8.290 nan 0.000 0.486 447 R N -0.847 119.519 120.500 -0.224 0.000 2.112 447 R HA 0.104 4.444 4.340 0.000 0.000 0.216 447 R C 2.085 178.288 176.300 -0.161 0.000 1.080 447 R CA 0.626 56.565 56.100 -0.268 0.000 0.996 447 R CB 0.081 30.172 30.300 -0.347 0.000 0.902 447 R HN 0.275 nan 8.270 nan 0.000 0.449 448 R N 1.360 121.745 120.500 -0.192 0.000 2.083 448 R HA -0.163 4.177 4.340 0.000 0.000 0.237 448 R C 1.910 178.140 176.300 -0.117 0.000 1.137 448 R CA 1.833 57.808 56.100 -0.208 0.000 0.951 448 R CB 0.060 30.073 30.300 -0.479 0.000 0.851 448 R HN 0.055 nan 8.270 nan 0.000 0.434 449 K N -0.752 119.571 120.400 -0.129 0.000 2.032 449 K HA -0.131 4.189 4.320 0.000 0.000 0.209 449 K C 2.119 178.776 176.600 0.094 0.000 1.048 449 K CA 2.083 58.373 56.287 0.004 0.000 0.927 449 K CB -0.238 32.263 32.500 0.001 0.000 0.712 449 K HN 0.431 nan 8.250 nan 0.000 0.441 450 T N 0.108 114.705 114.554 0.071 0.000 2.867 450 T HA -0.057 4.293 4.350 0.000 0.000 0.268 450 T C 1.963 176.819 174.700 0.260 0.000 1.057 450 T CA 0.643 62.850 62.100 0.179 0.000 1.136 450 T CB -0.306 68.624 68.868 0.104 0.000 0.874 450 T HN 0.067 nan 8.240 nan 0.000 0.466 451 L N 0.123 121.483 121.223 0.229 0.000 2.046 451 L HA 0.056 4.396 4.340 0.000 0.000 0.208 451 L C 2.665 179.735 176.870 0.334 0.000 1.077 451 L CA 1.324 56.345 54.840 0.301 0.000 0.747 451 L CB -0.430 41.807 42.059 0.296 0.000 0.896 451 L HN 0.300 nan 8.230 nan 0.000 0.432 452 L N -0.524 120.883 121.223 0.307 0.000 2.046 452 L HA -0.165 4.175 4.340 0.000 0.000 0.208 452 L C 2.460 179.504 176.870 0.291 0.000 1.077 452 L CA 1.558 56.611 54.840 0.354 0.000 0.747 452 L CB -0.221 42.030 42.059 0.320 0.000 0.896 452 L HN 0.184 nan 8.230 nan 0.000 0.432 453 A N -0.740 122.230 122.820 0.251 0.000 2.169 453 A HA -0.044 4.276 4.320 0.000 0.000 0.212 453 A C 2.170 179.901 177.584 0.245 0.000 1.153 453 A CA 0.799 52.998 52.037 0.269 0.000 0.756 453 A CB -0.573 18.599 19.000 0.288 0.000 0.813 453 A HN 0.551 nan 8.150 nan 0.000 0.471 454 L N -1.759 119.473 121.223 0.016 0.000 2.005 454 L HA -0.114 4.226 4.340 0.000 0.000 0.207 454 L C 2.343 179.020 176.870 -0.322 0.000 1.072 454 L CA 1.859 56.404 54.840 -0.491 0.000 0.744 454 L CB -0.375 41.272 42.059 -0.688 0.000 0.895 454 L HN 0.415 nan 8.230 nan 0.000 0.433 455 F N 0.808 120.422 119.950 -0.560 0.000 2.051 455 F HA -0.238 4.289 4.527 0.001 0.000 0.296 455 F C 2.550 178.271 175.800 -0.131 0.000 1.122 455 F CA 2.211 59.837 58.000 -0.623 0.000 1.201 455 F CB -0.864 37.538 39.000 -0.996 0.000 0.978 455 F HN 0.046 nan 8.300 nan 0.000 0.472 456 T N 0.197 114.884 114.554 0.223 0.000 2.620 456 T HA -0.293 4.058 4.350 0.000 0.000 0.267 456 T C 1.460 176.310 174.700 0.251 0.000 1.044 456 T CA 2.095 64.440 62.100 0.408 0.000 1.161 456 T CB -0.662 68.405 68.868 0.331 0.000 0.862 456 T HN 0.233 nan 8.240 nan 0.000 0.438 457 D N -0.413 120.104 120.400 0.194 0.000 2.106 457 D HA -0.114 4.526 4.640 0.000 0.000 0.191 457 D C 1.939 178.187 176.300 -0.087 0.000 0.997 457 D CA 1.414 55.536 54.000 0.204 0.000 0.834 457 D CB -0.312 40.773 40.800 0.474 0.000 0.956 457 D HN 0.533 nan 8.370 nan 0.000 0.448 458 H N -0.389 118.394 119.070 -0.480 0.000 2.395 458 H HA 0.037 4.593 4.556 0.000 0.000 0.299 458 H C 1.728 176.574 175.328 -0.803 0.000 1.070 458 H CA 1.279 56.779 56.048 -0.913 0.000 1.356 458 H CB 0.301 29.470 29.762 -0.989 0.000 1.401 458 H HN -0.001 nan 8.280 nan 0.000 0.524 459 Q N -1.354 117.900 119.800 -0.910 0.000 2.259 459 Q HA -0.032 4.308 4.340 0.000 0.000 0.201 459 Q C 1.602 176.941 176.000 -1.101 0.000 0.938 459 Q CA 0.775 55.777 55.803 -1.335 0.000 0.872 459 Q CB 0.311 27.828 28.738 -2.035 0.000 0.971 459 Q HN 0.610 nan 8.270 nan 0.000 0.494 460 W N -0.590 120.511 121.300 -0.331 0.000 3.127 460 W HA 0.121 4.781 4.660 -0.000 0.000 0.248 460 W C 1.995 178.459 176.519 -0.092 0.000 1.058 460 W CA 0.002 57.254 57.345 -0.156 0.000 1.783 460 W CB -0.432 29.022 29.460 -0.010 0.000 1.030 460 W HN -0.162 nan 8.180 nan 0.000 0.653 461 V N 1.605 121.651 119.914 0.220 0.000 2.237 461 V HA -0.269 3.851 4.120 0.000 0.000 0.245 461 V C 2.599 178.786 176.094 0.155 0.000 1.046 461 V CA 2.796 65.238 62.300 0.236 0.000 1.007 461 V CB -1.623 30.402 31.823 0.337 0.000 0.638 461 V HN 0.084 nan 8.190 nan 0.000 0.445 462 A N 0.871 123.735 122.820 0.073 0.000 1.884 462 A HA -0.207 4.113 4.320 0.000 0.000 0.219 462 A C 0.611 178.188 177.584 -0.013 0.000 1.197 462 A CA 2.679 54.742 52.037 0.044 0.000 0.637 462 A CB -2.152 16.813 19.000 -0.057 0.000 0.827 462 A HN 0.568 nan 8.150 nan 0.000 0.450 463 P HA -0.024 nan 4.420 nan 0.000 0.219 463 P C 1.647 178.934 177.300 -0.020 0.000 1.150 463 P CA 1.710 64.732 63.100 -0.130 0.000 0.814 463 P CB -0.099 31.432 31.700 -0.280 0.000 0.787 464 A N -0.314 122.530 122.820 0.040 0.000 1.855 464 A HA -0.135 4.185 4.320 0.000 0.000 0.215 464 A C 2.364 180.082 177.584 0.222 0.000 1.191 464 A CA 1.776 53.873 52.037 0.100 0.000 0.613 464 A CB -1.719 17.340 19.000 0.098 0.000 0.829 464 A HN 0.144 nan 8.150 nan 0.000 0.442 465 V N -0.106 119.948 119.914 0.234 0.000 2.594 465 V HA -0.128 3.992 4.120 0.000 0.000 0.253 465 V C 2.579 178.765 176.094 0.153 0.000 1.069 465 V CA 2.250 64.623 62.300 0.120 0.000 1.082 465 V CB -0.693 31.155 31.823 0.041 0.000 0.680 465 V HN 0.579 nan 8.190 nan 0.000 0.469 466 A N -0.790 122.107 122.820 0.128 0.000 1.930 466 A HA -0.129 4.191 4.320 0.000 0.000 0.217 466 A C 2.318 179.989 177.584 0.145 0.000 1.175 466 A CA 2.309 54.419 52.037 0.121 0.000 0.627 466 A CB -0.906 18.136 19.000 0.070 0.000 0.815 466 A HN 0.553 nan 8.150 nan 0.000 0.443 467 T N 0.092 114.730 114.554 0.139 0.000 2.698 467 T HA 0.081 4.431 4.350 0.000 0.000 0.260 467 T C 2.326 177.185 174.700 0.265 0.000 1.044 467 T CA 1.428 63.643 62.100 0.191 0.000 1.149 467 T CB -0.521 68.408 68.868 0.102 0.000 0.864 467 T HN 0.559 nan 8.240 nan 0.000 0.419 468 A N 1.583 124.503 122.820 0.166 0.000 1.917 468 A HA -0.208 4.112 4.320 0.000 0.000 0.219 468 A C 2.226 180.013 177.584 0.338 0.000 1.182 468 A CA 2.083 54.198 52.037 0.131 0.000 0.633 468 A CB -0.574 18.333 19.000 -0.155 0.000 0.819 468 A HN 0.446 nan 8.150 nan 0.000 0.448 469 K N -0.935 119.690 120.400 0.376 0.000 2.026 469 K HA -0.041 4.279 4.320 0.000 0.000 0.208 469 K C 1.945 178.695 176.600 0.250 0.000 1.048 469 K CA 1.390 57.908 56.287 0.385 0.000 0.929 469 K CB -0.293 32.378 32.500 0.285 0.000 0.713 469 K HN 0.446 nan 8.250 nan 0.000 0.439 470 L N -0.093 121.271 121.223 0.235 0.000 2.017 470 L HA -0.223 4.117 4.340 0.000 0.000 0.208 470 L C 2.123 179.139 176.870 0.242 0.000 1.073 470 L CA 1.604 56.553 54.840 0.182 0.000 0.745 470 L CB -0.233 41.939 42.059 0.189 0.000 0.894 470 L HN 0.305 nan 8.230 nan 0.000 0.432 471 H N -1.417 117.854 119.070 0.334 0.000 2.395 471 H HA -0.028 4.528 4.556 0.000 0.000 0.299 471 H C 2.164 177.697 175.328 0.341 0.000 1.070 471 H CA 1.122 57.439 56.048 0.449 0.000 1.356 471 H CB -0.227 29.713 29.762 0.297 0.000 1.401 471 H HN 0.375 nan 8.280 nan 0.000 0.524 472 A N 0.696 123.737 122.820 0.369 0.000 2.024 472 A HA -0.193 4.127 4.320 0.000 0.000 0.220 472 A C 1.688 179.346 177.584 0.123 0.000 1.164 472 A CA 1.887 54.078 52.037 0.257 0.000 0.643 472 A CB -0.237 18.943 19.000 0.299 0.000 0.806 472 A HN 0.348 nan 8.150 nan 0.000 0.451 473 D N -1.465 118.944 120.400 0.015 0.000 2.224 473 D HA -0.081 4.559 4.640 0.000 0.000 0.205 473 D C 0.716 176.854 176.300 -0.270 0.000 0.965 473 D CA 1.037 54.922 54.000 -0.193 0.000 0.852 473 D CB -0.185 40.394 40.800 -0.368 0.000 0.947 473 D HN 0.706 nan 8.370 nan 0.000 0.494 474 Y N 0.243 120.605 120.300 0.102 0.000 2.470 474 Y HA 0.106 4.656 4.550 0.000 0.000 0.284 474 Y C 0.558 176.496 175.900 0.063 0.000 1.188 474 Y CA -0.168 57.957 58.100 0.042 0.000 1.269 474 Y CB 0.138 38.580 38.460 -0.029 0.000 1.094 474 Y HN -0.175 nan 8.280 nan 0.000 0.518 475 Q N -0.465 119.438 119.800 0.173 0.000 2.489 475 Q HA -0.223 4.118 4.340 0.000 0.000 0.259 475 Q C 0.340 176.442 176.000 0.171 0.000 0.934 475 Q CA 0.834 56.718 55.803 0.136 0.000 1.131 475 Q CB -1.646 27.145 28.738 0.087 0.000 1.472 475 Q HN 0.300 nan 8.270 nan 0.000 0.560 476 S N 1.826 117.683 115.700 0.260 0.000 2.488 476 S HA 0.309 4.779 4.470 0.000 0.000 0.278 476 S C -2.061 172.687 174.600 0.247 0.000 1.259 476 S CA -1.269 57.102 58.200 0.287 0.000 1.061 476 S CB 0.658 64.129 63.200 0.451 0.000 0.910 476 S HN 0.100 nan 8.310 nan 0.000 0.491 477 P HA 0.214 nan 4.420 nan 0.000 0.276 477 P C -1.092 176.332 177.300 0.207 0.000 1.243 477 P CA -0.299 62.902 63.100 0.169 0.000 0.768 477 P CB 0.760 32.576 31.700 0.193 0.000 0.856 478 V N 5.406 125.381 119.914 0.102 0.000 2.540 478 V HA 0.343 4.463 4.120 0.000 0.000 0.302 478 V C -0.666 175.413 176.094 -0.025 0.000 1.035 478 V CA -0.575 61.804 62.300 0.132 0.000 0.873 478 V CB 1.424 33.365 31.823 0.196 0.000 0.992 478 V HN 0.350 nan 8.190 nan 0.000 0.428 479 Y N 3.764 124.077 120.300 0.022 0.000 2.328 479 Y HA 0.554 5.104 4.550 0.000 0.000 0.333 479 Y C -0.444 175.591 175.900 0.225 0.000 0.958 479 Y CA -0.758 57.361 58.100 0.032 0.000 1.167 479 Y CB 1.592 39.678 38.460 -0.623 0.000 1.151 479 Y HN 0.602 nan 8.280 nan 0.000 0.470 480 F N 5.841 126.084 119.950 0.488 0.000 2.410 480 F HA 0.405 4.932 4.527 -0.000 0.000 0.349 480 F C -0.604 175.485 175.800 0.482 0.000 1.117 480 F CA -1.237 56.920 58.000 0.262 0.000 1.104 480 F CB 0.356 39.320 39.000 -0.060 0.000 1.122 480 F HN 0.449 nan 8.300 nan 0.000 0.483 481 Y N 2.171 122.600 120.300 0.216 0.000 2.509 481 Y HA 0.788 5.338 4.550 0.000 0.000 0.341 481 Y C -1.229 174.759 175.900 0.147 0.000 1.038 481 Y CA -1.351 56.874 58.100 0.208 0.000 1.089 481 Y CB 1.412 40.012 38.460 0.234 0.000 1.241 481 Y HN 0.438 nan 8.280 nan 0.000 0.468 482 T N 5.183 119.936 114.554 0.332 0.000 2.890 482 T HA 0.293 4.643 4.350 0.000 0.000 0.295 482 T C -1.692 173.251 174.700 0.405 0.000 0.993 482 T CA -0.313 61.888 62.100 0.168 0.000 0.979 482 T CB 0.385 69.264 68.868 0.017 0.000 0.967 482 T HN 0.551 nan 8.240 nan 0.000 0.441 483 F N 3.511 123.582 119.950 0.202 0.000 2.350 483 F HA 0.425 4.952 4.527 0.000 0.000 0.365 483 F C -0.194 175.631 175.800 0.042 0.000 1.122 483 F CA -1.414 56.691 58.000 0.175 0.000 1.139 483 F CB 0.426 39.563 39.000 0.228 0.000 1.220 483 F HN 0.634 nan 8.300 nan 0.000 0.499 484 Y N 3.203 123.261 120.300 -0.403 0.000 2.467 484 Y HA 0.136 4.686 4.550 0.000 0.000 0.250 484 Y C 0.205 175.933 175.900 -0.286 0.000 1.155 484 Y CA -0.078 57.852 58.100 -0.283 0.000 1.249 484 Y CB -0.225 38.111 38.460 -0.207 0.000 1.146 484 Y HN 0.578 nan 8.280 nan 0.000 0.524 485 H N 0.567 119.236 119.070 -0.669 0.000 2.569 485 H HA 0.428 4.985 4.556 0.000 0.000 0.357 485 H C -0.726 174.355 175.328 -0.412 0.000 1.153 485 H CA -0.803 54.978 56.048 -0.445 0.000 1.193 485 H CB 0.731 30.262 29.762 -0.385 0.000 1.602 485 H HN 0.134 nan 8.280 nan 0.000 0.523 486 H N 2.142 120.709 119.070 -0.838 0.000 3.037 486 H HA 0.265 4.821 4.556 0.000 0.000 0.355 486 H C -1.078 174.044 175.328 -0.343 0.000 1.263 486 H CA -1.096 54.751 56.048 -0.335 0.000 1.129 486 H CB 0.399 30.088 29.762 -0.121 0.000 1.861 486 H HN 0.743 nan 8.280 nan 0.000 0.546 487 c N 2.213 120.672 118.600 -0.235 0.000 2.536 487 c HA 0.100 4.670 4.570 0.000 0.000 0.396 487 c C 2.032 175.762 174.090 -0.600 0.000 1.279 487 c CA 0.091 56.196 56.329 -0.374 0.000 2.148 487 c CB 0.120 42.416 42.510 -0.356 0.000 2.584 487 c HN 0.971 nan 8.230 nan 0.000 0.579 488 Q N 3.949 123.451 119.800 -0.497 0.000 1.993 488 Q HA 0.057 4.397 4.340 0.000 0.000 0.202 488 Q C 1.155 177.025 176.000 -0.217 0.000 0.984 488 Q CA 2.254 57.826 55.803 -0.384 0.000 0.837 488 Q CB -0.634 27.968 28.738 -0.226 0.000 0.902 488 Q HN 1.681 nan 8.270 nan 0.000 0.423 489 A N 1.263 123.967 122.820 -0.194 0.000 2.060 489 A HA -0.238 4.082 4.320 0.000 0.000 0.267 489 A C -0.365 177.177 177.584 -0.069 0.000 1.378 489 A CA 0.792 52.758 52.037 -0.119 0.000 0.733 489 A CB -2.021 16.940 19.000 -0.065 0.000 1.188 489 A HN 0.548 nan 8.150 nan 0.000 0.311 490 E N -0.308 119.849 120.200 -0.071 0.000 2.492 490 E HA 0.284 4.634 4.350 0.000 0.000 0.266 490 E C 1.254 177.833 176.600 -0.036 0.000 1.047 490 E CA 1.117 57.486 56.400 -0.052 0.000 0.968 490 E CB 0.205 29.877 29.700 -0.046 0.000 0.960 490 E HN 2.131 nan 8.360 nan 0.000 0.452 491 G N 1.501 110.281 108.800 -0.035 0.000 2.270 491 G HA2 -0.215 3.745 3.960 0.000 0.000 0.224 491 G HA3 -0.215 3.745 3.960 0.000 0.000 0.224 491 G C -0.328 174.547 174.900 -0.041 0.000 1.079 491 G CA 0.154 45.237 45.100 -0.027 0.000 0.807 491 G HN 0.407 nan 8.290 nan 0.000 0.492 492 R N -0.234 120.223 120.500 -0.071 0.000 2.561 492 R HA 0.630 4.970 4.340 0.000 0.000 0.266 492 R C -2.656 173.522 176.300 -0.204 0.000 1.091 492 R CA -1.212 54.818 56.100 -0.117 0.000 0.927 492 R CB 1.225 31.489 30.300 -0.061 0.000 1.240 492 R HN 0.082 nan 8.270 nan 0.000 0.449 493 P HA 0.088 nan 4.420 nan 0.000 0.270 493 P C -0.122 176.895 177.300 -0.471 0.000 1.227 493 P CA -0.183 62.494 63.100 -0.705 0.000 0.788 493 P CB 0.682 31.293 31.700 -1.814 0.000 0.926 494 E N 0.675 120.672 120.200 -0.339 0.000 2.285 494 E HA -0.068 4.282 4.350 0.000 0.000 0.194 494 E C 1.443 178.064 176.600 0.036 0.000 0.997 494 E CA 1.028 57.398 56.400 -0.051 0.000 0.845 494 E CB -0.355 29.405 29.700 0.100 0.000 0.782 494 E HN 0.691 nan 8.360 nan 0.000 0.491 495 W N 0.464 121.797 121.300 0.056 0.000 3.256 495 W HA 0.541 5.200 4.660 -0.000 0.000 0.269 495 W C 1.547 178.081 176.519 0.024 0.000 1.310 495 W CA 0.090 57.463 57.345 0.046 0.000 1.673 495 W CB -0.844 28.641 29.460 0.042 0.000 1.115 495 W HN -0.060 nan 8.180 nan 0.000 0.686 496 A N 2.121 124.826 122.820 -0.191 0.000 1.863 496 A HA -0.291 4.029 4.320 0.000 0.000 0.218 496 A C 1.071 178.504 177.584 -0.252 0.000 1.233 496 A CA 2.241 54.138 52.037 -0.233 0.000 0.655 496 A CB -1.254 17.636 19.000 -0.183 0.000 0.839 496 A HN 0.347 nan 8.150 nan 0.000 0.454 497 D N -1.588 118.558 120.400 -0.423 0.000 3.038 497 D HA -0.081 4.559 4.640 0.000 0.000 0.229 497 D C 0.382 176.346 176.300 -0.560 0.000 1.182 497 D CA 1.385 55.110 54.000 -0.458 0.000 0.852 497 D CB -1.438 39.323 40.800 -0.065 0.000 0.932 497 D HN 1.749 nan 8.370 nan 0.000 0.406 498 A N -0.993 121.240 122.820 -0.978 0.000 2.632 498 A HA 0.020 4.340 4.320 0.000 0.000 0.294 498 A C 0.969 178.435 177.584 -0.196 0.000 1.447 498 A CA 1.123 52.908 52.037 -0.420 0.000 0.728 498 A CB -1.398 17.416 19.000 -0.310 0.000 1.102 498 A HN 1.445 nan 8.150 nan 0.000 0.422 499 A N 1.629 124.368 122.820 -0.134 0.000 2.387 499 A HA 0.451 4.771 4.320 0.000 0.000 0.251 499 A C 0.738 178.321 177.584 -0.002 0.000 1.113 499 A CA 0.466 52.481 52.037 -0.037 0.000 0.794 499 A CB -0.073 18.941 19.000 0.022 0.000 1.069 499 A HN 1.503 nan 8.150 nan 0.000 0.506 500 H N -0.145 118.835 119.070 -0.150 0.000 3.070 500 H HA 0.188 4.744 4.556 0.000 0.000 0.313 500 H C 1.442 176.782 175.328 0.020 0.000 0.997 500 H CA 1.816 57.739 56.048 -0.209 0.000 1.438 500 H CB 0.106 29.664 29.762 -0.340 0.000 1.455 500 H HN 1.383 nan 8.280 nan 0.000 0.575 501 G N 5.153 113.743 108.800 -0.351 0.000 2.162 501 G HA2 -0.282 3.678 3.960 0.000 0.000 0.260 501 G HA3 -0.282 3.678 3.960 0.000 0.000 0.260 501 G C 0.848 175.997 174.900 0.415 0.000 0.976 501 G CA 0.475 45.620 45.100 0.075 0.000 0.655 501 G HN 0.648 nan 8.290 nan 0.000 0.533 502 D N 0.647 121.239 120.400 0.320 0.000 2.371 502 D HA 0.023 4.663 4.640 0.000 0.000 0.221 502 D C 2.373 178.926 176.300 0.422 0.000 0.986 502 D CA 1.045 55.288 54.000 0.405 0.000 0.899 502 D CB 0.039 41.054 40.800 0.360 0.000 0.902 502 D HN 0.748 nan 8.370 nan 0.000 0.530 503 E N 0.651 121.021 120.200 0.284 0.000 2.285 503 E HA -0.120 4.230 4.350 0.000 0.000 0.194 503 E C 1.863 178.375 176.600 -0.147 0.000 0.997 503 E CA 0.103 56.491 56.400 -0.020 0.000 0.845 503 E CB -0.323 29.157 29.700 -0.366 0.000 0.782 503 E HN 0.150 nan 8.360 nan 0.000 0.491 504 L N 1.813 123.009 121.223 -0.046 0.000 1.971 504 L HA -0.130 4.210 4.340 0.000 0.000 0.215 504 L C -0.251 176.408 176.870 -0.352 0.000 1.072 504 L CA 2.327 57.098 54.840 -0.115 0.000 0.758 504 L CB -2.528 39.591 42.059 0.100 0.000 0.889 504 L HN 0.179 nan 8.230 nan 0.000 0.433 505 P HA -0.227 nan 4.420 nan 0.000 0.217 505 P C 1.539 178.385 177.300 -0.756 0.000 1.148 505 P CA 1.763 64.225 63.100 -1.065 0.000 0.828 505 P CB -0.166 30.767 31.700 -1.278 0.000 0.783 506 Y N -0.461 119.601 120.300 -0.397 0.000 2.220 506 Y HA -0.091 4.459 4.550 -0.000 0.000 0.291 506 Y C 2.620 178.194 175.900 -0.543 0.000 1.129 506 Y CA 0.595 58.460 58.100 -0.392 0.000 1.161 506 Y CB -1.279 37.022 38.460 -0.265 0.000 0.997 506 Y HN -0.290 nan 8.280 nan 0.000 0.522 507 V N -1.083 118.504 119.914 -0.545 0.000 2.759 507 V HA -0.259 3.861 4.120 0.000 0.000 0.256 507 V C 1.014 176.646 176.094 -0.770 0.000 1.080 507 V CA 1.579 63.377 62.300 -0.836 0.000 1.101 507 V CB -0.629 30.568 31.823 -1.043 0.000 0.698 507 V HN 0.322 nan 8.190 nan 0.000 0.477 508 F N 0.125 119.802 119.950 -0.455 0.000 2.647 508 F HA 0.454 4.981 4.527 0.000 0.000 0.300 508 F C 1.681 177.255 175.800 -0.377 0.000 1.106 508 F CA 0.377 58.148 58.000 -0.380 0.000 1.313 508 F CB 0.177 38.968 39.000 -0.348 0.000 1.007 508 F HN 0.223 nan 8.300 nan 0.000 0.536 509 G N 0.683 109.296 108.800 -0.312 0.000 2.341 509 G HA2 -0.304 3.656 3.960 0.000 0.000 0.292 509 G HA3 -0.304 3.656 3.960 0.000 0.000 0.292 509 G C 1.011 175.688 174.900 -0.371 0.000 1.021 509 G CA 0.607 45.495 45.100 -0.354 0.000 0.905 509 G HN 0.293 nan 8.290 nan 0.000 0.508 510 V N 0.339 119.969 119.914 -0.474 0.000 2.358 510 V HA -0.117 4.003 4.120 0.000 0.000 0.246 510 V C 0.620 176.260 176.094 -0.757 0.000 1.047 510 V CA 2.296 64.278 62.300 -0.530 0.000 1.035 510 V CB -0.817 30.660 31.823 -0.577 0.000 0.658 510 V HN 0.403 nan 8.190 nan 0.000 0.452 511 P HA -0.124 nan 4.420 nan 0.000 0.229 511 P C 1.606 178.603 177.300 -0.505 0.000 1.150 511 P CA 1.409 63.823 63.100 -1.143 0.000 0.765 511 P CB -0.090 31.114 31.700 -0.825 0.000 0.783 512 M N -1.915 117.451 119.600 -0.390 0.000 2.276 512 M HA 0.024 4.504 4.480 0.000 0.000 0.262 512 M C 0.959 177.156 176.300 -0.171 0.000 1.098 512 M CA 1.020 56.179 55.300 -0.234 0.000 1.167 512 M CB -0.527 31.937 32.600 -0.226 0.000 1.337 512 M HN -0.305 nan 8.290 nan 0.000 0.446 513 V N 2.322 122.129 119.914 -0.178 0.000 2.221 513 V HA 0.431 4.551 4.120 0.000 0.000 0.258 513 V C 0.589 176.622 176.094 -0.102 0.000 1.179 513 V CA 0.437 62.671 62.300 -0.110 0.000 1.022 513 V CB -1.194 30.580 31.823 -0.080 0.000 1.228 513 V HN 0.750 nan 8.190 nan 0.000 0.487 514 G N 4.943 113.699 108.800 -0.073 0.000 2.574 514 G HA2 -0.016 3.945 3.960 0.000 0.000 0.282 514 G HA3 -0.016 3.945 3.960 0.000 0.000 0.282 514 G C 0.260 175.182 174.900 0.038 0.000 1.257 514 G CA 0.099 45.196 45.100 -0.006 0.000 0.956 514 G HN 2.089 nan 8.290 nan 0.000 0.560 515 A N -0.177 122.718 122.820 0.125 0.000 2.340 515 A HA 0.851 5.171 4.320 0.000 0.000 0.297 515 A C 0.497 178.163 177.584 0.136 0.000 1.195 515 A CA 0.934 53.121 52.037 0.250 0.000 0.769 515 A CB 0.780 19.953 19.000 0.288 0.000 1.163 515 A HN 2.214 nan 8.150 nan 0.000 0.472 516 T N -0.154 114.482 114.554 0.137 0.000 2.698 516 T HA 0.224 4.574 4.350 0.000 0.000 0.295 516 T C 0.636 175.330 174.700 -0.010 0.000 1.007 516 T CA 0.588 62.717 62.100 0.048 0.000 0.980 516 T CB 0.199 69.084 68.868 0.029 0.000 1.036 516 T HN 0.471 nan 8.240 nan 0.000 0.526 517 D N 0.176 120.552 120.400 -0.040 0.000 2.149 517 D HA -0.095 4.546 4.640 0.000 0.000 0.194 517 D C 1.797 178.011 176.300 -0.144 0.000 1.001 517 D CA 1.113 55.080 54.000 -0.055 0.000 0.849 517 D CB -0.378 40.434 40.800 0.019 0.000 0.939 517 D HN 0.235 nan 8.370 nan 0.000 0.449 518 L N -0.706 120.310 121.223 -0.345 0.000 2.022 518 L HA 0.083 4.423 4.340 0.000 0.000 0.204 518 L C 0.552 177.115 176.870 -0.512 0.000 1.076 518 L CA 0.959 55.440 54.840 -0.597 0.000 0.749 518 L CB -1.016 40.293 42.059 -1.250 0.000 0.903 518 L HN -0.013 nan 8.230 nan 0.000 0.439 519 F N 1.326 121.217 119.950 -0.098 0.000 2.423 519 F HA 0.279 4.806 4.527 0.000 0.000 0.356 519 F C -1.514 174.290 175.800 0.007 0.000 1.170 519 F CA -1.671 56.312 58.000 -0.029 0.000 1.163 519 F CB -0.110 38.902 39.000 0.021 0.000 1.318 519 F HN 0.097 nan 8.300 nan 0.000 0.569 520 P HA 0.056 nan 4.420 nan 0.000 0.259 520 P C 0.298 177.557 177.300 -0.067 0.000 1.233 520 P CA 0.113 63.220 63.100 0.011 0.000 0.827 520 P CB -0.036 31.651 31.700 -0.021 0.000 1.154 521 c N 0.257 118.730 118.600 -0.212 0.000 2.700 521 c HA 0.338 4.909 4.570 0.000 0.000 0.397 521 c C 0.592 174.421 174.090 -0.435 0.000 1.301 521 c CA -1.089 55.039 56.329 -0.335 0.000 2.219 521 c CB -1.509 40.754 42.510 -0.412 0.000 2.699 521 c HN 0.092 nan 8.230 nan 0.000 0.669 522 N N 1.328 119.866 118.700 -0.270 0.000 2.400 522 N HA 0.256 4.996 4.740 0.000 0.000 0.278 522 N C -0.840 174.557 175.510 -0.190 0.000 1.247 522 N CA 0.252 53.209 53.050 -0.156 0.000 0.970 522 N CB -0.442 37.997 38.487 -0.080 0.000 1.312 522 N HN 0.581 nan 8.380 nan 0.000 0.488 523 F N 1.184 121.122 119.950 -0.020 0.000 2.487 523 F HA 0.057 4.584 4.527 0.000 0.000 0.364 523 F C 1.441 177.246 175.800 0.008 0.000 1.126 523 F CA -0.607 57.386 58.000 -0.010 0.000 1.135 523 F CB -0.238 38.737 39.000 -0.042 0.000 1.127 523 F HN 0.291 nan 8.300 nan 0.000 0.559 524 S N 2.562 118.360 115.700 0.164 0.000 2.596 524 S HA 0.085 4.555 4.470 0.000 0.000 0.260 524 S C 1.350 176.019 174.600 0.115 0.000 1.336 524 S CA -0.538 57.727 58.200 0.109 0.000 0.993 524 S CB 0.799 64.047 63.200 0.079 0.000 0.923 524 S HN 0.786 nan 8.310 nan 0.000 0.567 525 K N 0.902 121.334 120.400 0.053 0.000 2.280 525 K HA -0.144 4.176 4.320 0.000 0.000 0.202 525 K C 1.149 177.762 176.600 0.021 0.000 1.047 525 K CA 1.835 58.135 56.287 0.021 0.000 0.942 525 K CB -0.443 32.028 32.500 -0.049 0.000 0.739 525 K HN 0.520 nan 8.250 nan 0.000 0.457 526 N N 1.231 119.953 118.700 0.037 0.000 2.207 526 N HA -0.092 4.649 4.740 0.000 0.000 0.182 526 N C 1.025 176.594 175.510 0.098 0.000 1.020 526 N CA 1.329 54.399 53.050 0.033 0.000 0.858 526 N CB -0.117 38.372 38.487 0.003 0.000 0.991 526 N HN 0.252 nan 8.380 nan 0.000 0.427 527 D N 0.120 120.659 120.400 0.232 0.000 2.149 527 D HA -0.109 4.531 4.640 0.000 0.000 0.198 527 D C 1.866 178.345 176.300 0.298 0.000 0.990 527 D CA 0.820 55.095 54.000 0.458 0.000 0.839 527 D CB -0.211 40.962 40.800 0.623 0.000 0.948 527 D HN 0.078 nan 8.370 nan 0.000 0.460 528 V N 1.661 121.649 119.914 0.123 0.000 2.358 528 V HA -0.226 3.894 4.120 0.000 0.000 0.246 528 V C 2.437 178.523 176.094 -0.014 0.000 1.047 528 V CA 1.272 63.569 62.300 -0.003 0.000 1.035 528 V CB -0.510 31.307 31.823 -0.010 0.000 0.658 528 V HN 0.233 nan 8.190 nan 0.000 0.452 529 M N -0.019 119.593 119.600 0.020 0.000 2.059 529 M HA -0.183 4.297 4.480 0.000 0.000 0.259 529 M C 2.251 178.529 176.300 -0.038 0.000 1.072 529 M CA 2.139 57.442 55.300 0.004 0.000 1.117 529 M CB -0.614 32.004 32.600 0.030 0.000 1.320 529 M HN 0.360 nan 8.290 nan 0.000 0.408 530 L N -0.052 121.158 121.223 -0.022 0.000 2.131 530 L HA -0.190 4.150 4.340 0.000 0.000 0.210 530 L C 2.614 179.433 176.870 -0.085 0.000 1.092 530 L CA 1.528 56.310 54.840 -0.097 0.000 0.759 530 L CB -0.338 41.640 42.059 -0.134 0.000 0.903 530 L HN 0.451 nan 8.230 nan 0.000 0.435 531 S N -0.659 115.077 115.700 0.060 0.000 2.359 531 S HA -0.249 4.221 4.470 0.000 0.000 0.224 531 S C 2.104 176.556 174.600 -0.247 0.000 1.035 531 S CA 1.411 59.615 58.200 0.007 0.000 1.018 531 S CB -0.235 62.913 63.200 -0.087 0.000 0.876 531 S HN 0.608 nan 8.310 nan 0.000 0.448 532 A N 0.874 123.514 122.820 -0.300 0.000 1.858 532 A HA -0.031 4.289 4.320 0.000 0.000 0.216 532 A C 2.354 179.794 177.584 -0.240 0.000 1.190 532 A CA 1.884 53.667 52.037 -0.423 0.000 0.617 532 A CB -1.254 17.578 19.000 -0.279 0.000 0.827 532 A HN 0.442 nan 8.150 nan 0.000 0.443 533 V N 0.460 120.228 119.914 -0.244 0.000 2.250 533 V HA -0.326 3.794 4.120 0.000 0.000 0.250 533 V C 2.773 178.705 176.094 -0.270 0.000 1.060 533 V CA 2.421 64.496 62.300 -0.376 0.000 1.030 533 V CB -1.235 30.200 31.823 -0.646 0.000 0.643 533 V HN 0.621 nan 8.190 nan 0.000 0.445 534 V N -2.648 117.168 119.914 -0.165 0.000 2.490 534 V HA -0.298 3.822 4.120 0.000 0.000 0.250 534 V C 2.198 178.292 176.094 -0.001 0.000 1.061 534 V CA 2.285 64.573 62.300 -0.020 0.000 1.064 534 V CB -0.885 30.714 31.823 -0.373 0.000 0.670 534 V HN 0.451 nan 8.190 nan 0.000 0.461 535 M N 1.720 121.233 119.600 -0.146 0.000 2.077 535 M HA -0.130 4.350 4.480 0.000 0.000 0.261 535 M C 2.547 178.910 176.300 0.104 0.000 1.070 535 M CA 2.677 57.922 55.300 -0.091 0.000 1.125 535 M CB -0.708 31.769 32.600 -0.206 0.000 1.339 535 M HN 0.675 nan 8.290 nan 0.000 0.409 536 T N -1.558 113.072 114.554 0.127 0.000 2.759 536 T HA -0.203 4.147 4.350 0.000 0.000 0.269 536 T C 1.560 176.298 174.700 0.064 0.000 1.042 536 T CA 1.318 63.455 62.100 0.062 0.000 1.140 536 T CB -0.833 68.016 68.868 -0.031 0.000 0.864 536 T HN 0.227 nan 8.240 nan 0.000 0.455 537 Y N 0.120 120.504 120.300 0.140 0.000 2.114 537 Y HA 0.016 4.566 4.550 0.000 0.000 0.284 537 Y C 2.632 178.589 175.900 0.094 0.000 1.143 537 Y CA 0.296 58.496 58.100 0.167 0.000 1.135 537 Y CB -0.832 37.848 38.460 0.367 0.000 0.980 537 Y HN 0.227 nan 8.280 nan 0.000 0.499 538 W N 0.698 122.002 121.300 0.008 0.000 2.354 538 W HA -0.262 4.398 4.660 0.000 0.000 0.315 538 W C 2.594 179.058 176.519 -0.091 0.000 1.206 538 W CA 2.586 59.846 57.345 -0.142 0.000 1.290 538 W CB -0.768 28.510 29.460 -0.304 0.000 1.152 538 W HN 0.241 nan 8.180 nan 0.000 0.489 539 T N -2.304 112.328 114.554 0.131 0.000 2.788 539 T HA -0.220 4.130 4.350 0.000 0.000 0.268 539 T C 1.366 176.073 174.700 0.011 0.000 1.044 539 T CA 1.606 63.724 62.100 0.030 0.000 1.139 539 T CB -1.031 67.843 68.868 0.010 0.000 0.867 539 T HN 0.227 nan 8.240 nan 0.000 0.454 540 N N 0.411 119.127 118.700 0.026 0.000 2.094 540 N HA -0.101 4.639 4.740 0.000 0.000 0.191 540 N C 1.551 177.035 175.510 -0.044 0.000 1.023 540 N CA 1.469 54.514 53.050 -0.008 0.000 0.857 540 N CB -0.360 38.138 38.487 0.018 0.000 1.013 540 N HN 0.385 nan 8.380 nan 0.000 0.426 541 F N 1.783 121.610 119.950 -0.206 0.000 2.171 541 F HA -0.082 4.445 4.527 0.000 0.000 0.300 541 F C 2.263 177.952 175.800 -0.185 0.000 1.090 541 F CA 1.082 58.910 58.000 -0.286 0.000 1.293 541 F CB -0.259 38.470 39.000 -0.452 0.000 1.013 541 F HN -0.040 nan 8.300 nan 0.000 0.486 542 A N 0.168 122.931 122.820 -0.096 0.000 1.972 542 A HA -0.184 4.137 4.320 0.000 0.000 0.219 542 A C 2.142 179.629 177.584 -0.162 0.000 1.169 542 A CA 1.892 53.857 52.037 -0.120 0.000 0.635 542 A CB -0.500 18.484 19.000 -0.027 0.000 0.810 542 A HN 0.511 nan 8.150 nan 0.000 0.446 543 K N -1.201 119.111 120.400 -0.146 0.000 2.029 543 K HA 0.014 4.334 4.320 0.000 0.000 0.205 543 K C 1.916 178.423 176.600 -0.154 0.000 1.042 543 K CA 1.671 57.888 56.287 -0.117 0.000 0.949 543 K CB -0.336 32.117 32.500 -0.079 0.000 0.740 543 K HN 0.404 nan 8.250 nan 0.000 0.442 544 T N -1.028 113.414 114.554 -0.187 0.000 3.031 544 T HA 0.131 4.481 4.350 0.000 0.000 0.254 544 T C 1.276 175.816 174.700 -0.266 0.000 1.060 544 T CA 0.532 62.528 62.100 -0.173 0.000 1.135 544 T CB 0.299 69.096 68.868 -0.119 0.000 0.896 544 T HN 0.475 nan 8.240 nan 0.000 0.472 545 G N 2.084 110.575 108.800 -0.514 0.000 2.137 545 G HA2 -0.178 3.782 3.960 0.000 0.000 0.237 545 G HA3 -0.178 3.782 3.960 0.000 0.000 0.237 545 G C -0.354 174.337 174.900 -0.348 0.000 1.002 545 G CA 0.133 44.775 45.100 -0.762 0.000 0.702 545 G HN 0.608 nan 8.290 nan 0.000 0.515 546 D N -0.595 119.612 120.400 -0.321 0.000 2.478 546 D HA 0.362 5.002 4.640 0.000 0.000 0.240 546 D C -1.262 174.835 176.300 -0.338 0.000 1.364 546 D CA -1.317 52.447 54.000 -0.393 0.000 0.987 546 D CB 1.798 42.525 40.800 -0.122 0.000 1.328 546 D HN 0.016 nan 8.370 nan 0.000 0.584 547 P HA -0.095 nan 4.420 nan 0.000 0.222 547 P C 0.904 178.270 177.300 0.109 0.000 1.147 547 P CA 0.602 63.556 63.100 -0.243 0.000 0.790 547 P CB 0.583 31.872 31.700 -0.685 0.000 0.780 548 N N -0.365 118.376 118.700 0.068 0.000 2.188 548 N HA -0.088 4.652 4.740 0.000 0.000 0.184 548 N C 0.803 176.389 175.510 0.127 0.000 1.018 548 N CA 1.028 54.209 53.050 0.218 0.000 0.858 548 N CB 0.004 38.620 38.487 0.215 0.000 0.989 548 N HN 0.321 nan 8.380 nan 0.000 0.426 549 Q N -0.943 118.889 119.800 0.053 0.000 2.323 549 Q HA 0.280 4.620 4.340 0.000 0.000 0.271 549 Q C -2.004 173.993 176.000 -0.006 0.000 1.048 549 Q CA -1.572 54.249 55.803 0.030 0.000 0.792 549 Q CB 3.341 32.099 28.738 0.034 0.000 1.280 549 Q HN -0.012 nan 8.270 nan 0.000 0.441 550 P HA 0.020 nan 4.420 nan 0.000 0.208 550 P C -0.024 177.277 177.300 0.002 0.000 1.088 550 P CA 0.116 63.214 63.100 -0.004 0.000 0.962 550 P CB 0.521 32.211 31.700 -0.018 0.000 0.810 551 V N 3.812 123.718 119.914 -0.014 0.000 2.446 551 V HA 0.202 4.322 4.120 0.000 0.000 0.276 551 V C -2.324 173.767 176.094 -0.004 0.000 1.030 551 V CA -1.741 60.548 62.300 -0.018 0.000 1.033 551 V CB -0.128 31.660 31.823 -0.058 0.000 0.993 551 V HN 0.000 nan 8.190 nan 0.000 0.477 552 P HA 0.135 nan 4.420 nan 0.000 0.272 552 P C -0.659 176.653 177.300 0.020 0.000 1.230 552 P CA -0.226 62.895 63.100 0.036 0.000 0.788 552 P CB 0.319 32.049 31.700 0.050 0.000 0.949 553 Q N 1.656 121.471 119.800 0.025 0.000 2.962 553 Q HA 0.018 4.358 4.340 0.000 0.000 0.251 553 Q C -0.291 175.744 176.000 0.058 0.000 1.380 553 Q CA 0.842 56.646 55.803 0.002 0.000 0.926 553 Q CB -0.907 27.858 28.738 0.047 0.000 1.704 553 Q HN 0.371 nan 8.270 nan 0.000 0.563 554 D N 0.448 120.890 120.400 0.070 0.000 2.280 554 D HA 0.173 4.813 4.640 0.000 0.000 0.236 554 D C -0.035 176.360 176.300 0.159 0.000 1.082 554 D CA -0.274 53.793 54.000 0.112 0.000 0.834 554 D CB 1.074 41.952 40.800 0.131 0.000 1.100 554 D HN 0.145 nan 8.370 nan 0.000 0.486 555 T N 1.909 116.550 114.554 0.146 0.000 3.043 555 T HA 0.004 4.354 4.350 0.000 0.000 0.272 555 T C 1.328 176.133 174.700 0.175 0.000 0.990 555 T CA -0.386 61.814 62.100 0.167 0.000 0.897 555 T CB 0.232 69.170 68.868 0.116 0.000 1.111 555 T HN 0.480 nan 8.240 nan 0.000 0.529 556 K N 0.899 121.370 120.400 0.119 0.000 2.611 556 K HA 0.138 4.458 4.320 0.000 0.000 0.193 556 K C 0.828 177.426 176.600 -0.004 0.000 1.026 556 K CA 0.186 56.501 56.287 0.047 0.000 1.063 556 K CB -0.615 31.876 32.500 -0.016 0.000 0.839 556 K HN 0.219 nan 8.250 nan 0.000 0.505 557 F N 1.700 121.675 119.950 0.043 0.000 2.206 557 F HA -0.088 4.439 4.527 0.000 0.000 0.298 557 F C 1.907 177.731 175.800 0.041 0.000 1.090 557 F CA 1.059 59.082 58.000 0.038 0.000 1.323 557 F CB 0.035 39.067 39.000 0.053 0.000 1.028 557 F HN 0.062 nan 8.300 nan 0.000 0.492 558 I N -3.430 117.288 120.570 0.246 0.000 2.729 558 I HA 0.141 4.311 4.170 0.000 0.000 0.256 558 I C 0.035 176.251 176.117 0.165 0.000 1.115 558 I CA 0.891 62.297 61.300 0.178 0.000 1.446 558 I CB -0.321 37.772 38.000 0.154 0.000 1.176 558 I HN -0.140 nan 8.210 nan 0.000 0.446 559 H N 0.622 119.733 119.070 0.067 0.000 3.018 559 H HA 0.351 4.907 4.556 0.000 0.000 0.334 559 H C 0.251 175.601 175.328 0.036 0.000 0.983 559 H CA -0.132 55.943 56.048 0.045 0.000 1.363 559 H CB 1.298 31.086 29.762 0.044 0.000 1.668 559 H HN 0.187 nan 8.280 nan 0.000 0.513 560 T N 1.268 115.783 114.554 -0.065 0.000 3.496 560 T HA -0.005 4.345 4.350 0.000 0.000 0.253 560 T C 0.717 175.457 174.700 0.067 0.000 1.134 560 T CA -0.325 61.768 62.100 -0.013 0.000 0.993 560 T CB -0.349 68.476 68.868 -0.072 0.000 1.018 560 T HN 0.369 nan 8.240 nan 0.000 0.571 561 K N 2.049 122.577 120.400 0.213 0.000 2.326 561 K HA 0.186 4.507 4.320 0.000 0.000 0.275 561 K C -2.317 174.357 176.600 0.123 0.000 1.018 561 K CA -2.039 54.373 56.287 0.209 0.000 0.962 561 K CB 0.262 32.931 32.500 0.280 0.000 0.953 561 K HN 0.008 nan 8.250 nan 0.000 0.475 562 P HA -0.140 nan 4.420 nan 0.000 0.235 562 P C -1.273 176.080 177.300 0.090 0.000 1.068 562 P CA 0.455 63.597 63.100 0.070 0.000 0.934 562 P CB -0.297 31.433 31.700 0.051 0.000 0.863 563 N N 3.715 122.476 118.700 0.102 0.000 2.410 563 N HA -0.030 4.710 4.740 0.000 0.000 0.281 563 N C 1.318 176.932 175.510 0.174 0.000 1.241 563 N CA 0.202 53.335 53.050 0.139 0.000 0.998 563 N CB 0.044 38.606 38.487 0.126 0.000 1.376 563 N HN 0.342 nan 8.380 nan 0.000 0.490 564 R N 0.827 121.448 120.500 0.203 0.000 2.328 564 R HA 0.019 4.359 4.340 0.000 0.000 0.207 564 R C 0.176 176.493 176.300 0.029 0.000 1.056 564 R CA 0.823 56.981 56.100 0.097 0.000 1.016 564 R CB 0.016 30.328 30.300 0.019 0.000 0.872 564 R HN 0.338 nan 8.270 nan 0.000 0.471 565 F N -0.660 119.335 119.950 0.074 0.000 2.641 565 F HA 0.157 4.684 4.527 -0.000 0.000 0.302 565 F C 1.650 177.514 175.800 0.107 0.000 1.098 565 F CA -0.290 57.781 58.000 0.119 0.000 1.318 565 F CB 0.281 39.383 39.000 0.171 0.000 1.035 565 F HN -0.021 nan 8.300 nan 0.000 0.551 566 E N 1.805 122.132 120.200 0.211 0.000 2.048 566 E HA -0.248 4.102 4.350 0.000 0.000 0.202 566 E C 2.079 178.761 176.600 0.137 0.000 1.021 566 E CA 2.181 58.670 56.400 0.147 0.000 0.825 566 E CB -0.038 29.723 29.700 0.100 0.000 0.756 566 E HN 0.340 nan 8.360 nan 0.000 0.454 567 E N 0.232 120.500 120.200 0.113 0.000 2.538 567 E HA 0.050 4.400 4.350 0.000 0.000 0.207 567 E C -0.163 176.505 176.600 0.114 0.000 1.002 567 E CA -0.151 56.310 56.400 0.102 0.000 0.952 567 E CB -0.100 29.640 29.700 0.067 0.000 1.031 567 E HN 0.136 nan 8.360 nan 0.000 0.476 568 V N 1.897 121.895 119.914 0.139 0.000 2.508 568 V HA 0.137 4.257 4.120 0.000 0.000 0.281 568 V C -0.168 176.061 176.094 0.225 0.000 1.041 568 V CA -0.397 61.986 62.300 0.138 0.000 1.016 568 V CB 1.319 33.191 31.823 0.081 0.000 0.984 568 V HN 0.184 nan 8.190 nan 0.000 0.478 569 V N 9.164 129.195 119.914 0.195 0.000 2.364 569 V HA 0.342 4.462 4.120 0.000 0.000 0.272 569 V C -0.407 175.883 176.094 0.327 0.000 1.036 569 V CA -0.730 61.724 62.300 0.258 0.000 0.880 569 V CB 1.163 33.104 31.823 0.196 0.000 0.991 569 V HN 0.986 nan 8.190 nan 0.000 0.460 570 W N 6.894 128.313 121.300 0.199 0.000 2.510 570 W HA 0.349 5.009 4.660 0.000 0.000 0.388 570 W C 0.550 177.247 176.519 0.296 0.000 1.092 570 W CA -0.240 57.227 57.345 0.203 0.000 1.562 570 W CB 0.440 29.976 29.460 0.126 0.000 1.603 570 W HN 0.695 nan 8.180 nan 0.000 0.396 571 S N 4.544 120.577 115.700 0.555 0.000 2.585 571 S HA 0.207 4.677 4.470 0.000 0.000 0.273 571 S C 0.430 175.204 174.600 0.290 0.000 1.339 571 S CA -0.304 58.109 58.200 0.354 0.000 1.028 571 S CB 0.554 63.877 63.200 0.205 0.000 0.906 571 S HN 0.405 nan 8.310 nan 0.000 0.528 572 K N 1.957 122.361 120.400 0.007 0.000 2.436 572 K HA 0.074 4.394 4.320 0.000 0.000 0.275 572 K C -0.549 176.050 176.600 -0.002 0.000 0.999 572 K CA 0.143 56.252 56.287 -0.297 0.000 0.980 572 K CB 0.261 32.595 32.500 -0.276 0.000 0.919 572 K HN 0.533 nan 8.250 nan 0.000 0.484 573 F N 5.797 125.694 119.950 -0.088 0.000 2.404 573 F HA 0.081 4.609 4.527 0.000 0.000 0.359 573 F C 0.463 176.284 175.800 0.035 0.000 1.134 573 F CA -0.648 57.391 58.000 0.065 0.000 1.160 573 F CB -0.006 39.116 39.000 0.203 0.000 1.186 573 F HN 0.554 nan 8.300 nan 0.000 0.526 574 N N 2.721 121.260 118.700 -0.267 0.000 2.681 574 N HA 0.253 4.993 4.740 0.000 0.000 0.311 574 N C 0.300 175.600 175.510 -0.350 0.000 1.303 574 N CA -0.439 52.504 53.050 -0.178 0.000 0.926 574 N CB 0.648 39.072 38.487 -0.105 0.000 1.136 574 N HN 0.445 nan 8.380 nan 0.000 0.592 575 S N 0.092 115.698 115.700 -0.157 0.000 2.315 575 S HA 0.007 4.477 4.470 0.000 0.000 0.211 575 S C 1.710 176.220 174.600 -0.151 0.000 1.029 575 S CA 0.599 58.729 58.200 -0.116 0.000 0.956 575 S CB -0.266 62.911 63.200 -0.038 0.000 0.918 575 S HN 0.504 nan 8.310 nan 0.000 0.470 576 K N 1.243 121.578 120.400 -0.108 0.000 1.965 576 K HA -0.046 4.274 4.320 0.000 0.000 0.218 576 K C 0.317 176.852 176.600 -0.108 0.000 1.048 576 K CA 1.094 57.331 56.287 -0.082 0.000 0.960 576 K CB -0.209 32.258 32.500 -0.054 0.000 0.732 576 K HN 0.371 nan 8.250 nan 0.000 0.444 577 E N 1.191 121.320 120.200 -0.118 0.000 2.373 577 E HA -0.017 4.333 4.350 0.000 0.000 0.267 577 E C -0.493 175.942 176.600 -0.274 0.000 1.032 577 E CA 0.306 56.627 56.400 -0.132 0.000 0.889 577 E CB 0.656 30.301 29.700 -0.092 0.000 0.984 577 E HN 0.173 nan 8.360 nan 0.000 0.425 578 K N 2.655 122.882 120.400 -0.288 0.000 3.146 578 K HA 0.198 4.518 4.320 0.000 0.000 0.168 578 K C -0.642 175.833 176.600 -0.208 0.000 1.075 578 K CA -0.408 55.486 56.287 -0.656 0.000 0.843 578 K CB 0.501 32.606 32.500 -0.658 0.000 1.002 578 K HN 0.387 nan 8.250 nan 0.000 0.597 579 Q N 1.610 121.370 119.800 -0.066 0.000 2.364 579 Q HA 0.096 4.436 4.340 0.000 0.000 0.267 579 Q C -0.734 175.546 176.000 0.466 0.000 0.999 579 Q CA 0.169 56.066 55.803 0.157 0.000 0.886 579 Q CB 0.302 29.091 28.738 0.086 0.000 1.243 579 Q HN 0.570 nan 8.270 nan 0.000 0.415 580 Y N -0.796 119.679 120.300 0.292 0.000 2.634 580 Y HA 0.626 5.177 4.550 0.000 0.000 0.340 580 Y C -1.542 174.431 175.900 0.121 0.000 1.058 580 Y CA -1.645 56.661 58.100 0.343 0.000 1.081 580 Y CB 0.968 39.607 38.460 0.299 0.000 1.295 580 Y HN 0.389 nan 8.280 nan 0.000 0.487 581 L N 3.831 125.065 121.223 0.019 0.000 2.272 581 L HA 0.273 4.613 4.340 0.000 0.000 0.289 581 L C -0.642 176.245 176.870 0.028 0.000 1.032 581 L CA -0.296 54.298 54.840 -0.410 0.000 0.810 581 L CB 0.615 41.772 42.059 -1.503 0.000 1.205 581 L HN 0.961 nan 8.230 nan 0.000 0.422 582 H N 6.749 125.780 119.070 -0.065 0.000 2.969 582 H HA 0.257 4.813 4.556 0.000 0.000 0.269 582 H C -0.500 174.900 175.328 0.119 0.000 1.223 582 H CA -0.356 55.777 56.048 0.143 0.000 1.400 582 H CB 0.308 30.087 29.762 0.028 0.000 1.500 582 H HN 0.527 nan 8.280 nan 0.000 0.486 583 I N 4.922 125.556 120.570 0.106 0.000 2.441 583 I HA 0.330 4.500 4.170 0.000 0.000 0.287 583 I C 1.088 177.294 176.117 0.149 0.000 1.049 583 I CA 0.433 61.915 61.300 0.304 0.000 1.381 583 I CB 1.336 39.602 38.000 0.443 0.000 1.409 583 I HN 0.718 nan 8.210 nan 0.000 0.523 584 G N 4.594 113.565 108.800 0.285 0.000 2.356 584 G HA2 0.191 4.151 3.960 0.000 0.000 0.281 584 G HA3 0.191 4.151 3.960 0.000 0.000 0.281 584 G C -0.019 174.966 174.900 0.142 0.000 1.246 584 G CA -0.693 44.501 45.100 0.156 0.000 0.889 584 G HN 0.237 nan 8.290 nan 0.000 0.486 585 L N -0.159 121.098 121.223 0.058 0.000 2.005 585 L HA 0.197 4.537 4.340 0.000 0.000 0.207 585 L C 1.372 178.231 176.870 -0.019 0.000 1.072 585 L CA 1.687 56.520 54.840 -0.011 0.000 0.744 585 L CB -1.125 40.930 42.059 -0.005 0.000 0.895 585 L HN 0.447 nan 8.230 nan 0.000 0.433 586 K N 1.557 121.943 120.400 -0.024 0.000 2.356 586 K HA 0.285 4.605 4.320 0.000 0.000 0.243 586 K C -2.274 174.229 176.600 -0.161 0.000 1.072 586 K CA -1.640 54.579 56.287 -0.113 0.000 1.014 586 K CB 0.818 33.260 32.500 -0.097 0.000 1.523 586 K HN 0.093 nan 8.250 nan 0.000 0.455 587 P HA 0.214 nan 4.420 nan 0.000 0.275 587 P C -0.569 176.572 177.300 -0.265 0.000 1.228 587 P CA -0.378 62.525 63.100 -0.329 0.000 0.786 587 P CB 1.156 32.201 31.700 -1.092 0.000 0.927 588 R N 0.325 120.723 120.500 -0.170 0.000 2.781 588 R HA 0.585 4.925 4.340 0.000 0.000 0.269 588 R C -1.248 174.930 176.300 -0.204 0.000 1.025 588 R CA -1.071 54.915 56.100 -0.190 0.000 0.914 588 R CB 1.927 32.089 30.300 -0.229 0.000 1.236 588 R HN 0.144 nan 8.270 nan 0.000 0.465 589 V N 2.813 122.605 119.914 -0.202 0.000 2.293 589 V HA 0.436 4.556 4.120 0.000 0.000 0.275 589 V C 0.024 175.940 176.094 -0.296 0.000 1.021 589 V CA -0.644 61.505 62.300 -0.251 0.000 0.815 589 V CB 0.928 32.687 31.823 -0.106 0.000 1.025 589 V HN 0.544 nan 8.190 nan 0.000 0.448 590 R N 2.122 122.282 120.500 -0.566 0.000 2.700 590 R HA 0.448 4.788 4.340 0.000 0.000 0.253 590 R C 0.281 176.443 176.300 -0.230 0.000 1.091 590 R CA -0.788 55.080 56.100 -0.387 0.000 1.104 590 R CB 1.317 31.451 30.300 -0.277 0.000 1.202 590 R HN 0.497 nan 8.270 nan 0.000 0.532 591 D N -0.091 120.329 120.400 0.034 0.000 2.394 591 D HA 0.058 4.698 4.640 0.000 0.000 0.226 591 D C -0.529 175.895 176.300 0.206 0.000 0.990 591 D CA 0.799 54.855 54.000 0.093 0.000 0.902 591 D CB 0.497 41.320 40.800 0.037 0.000 1.038 591 D HN 0.331 nan 8.370 nan 0.000 0.499 592 N N -0.215 118.654 118.700 0.281 0.000 2.558 592 N HA 0.096 4.836 4.740 0.000 0.000 0.285 592 N C -1.564 174.098 175.510 0.253 0.000 1.112 592 N CA -0.502 52.689 53.050 0.236 0.000 0.857 592 N CB 1.361 39.918 38.487 0.116 0.000 1.376 592 N HN -0.067 nan 8.380 nan 0.000 0.526 593 Y N 2.797 123.111 120.300 0.023 0.000 2.436 593 Y HA 0.175 4.725 4.550 0.000 0.000 0.336 593 Y C 0.594 176.469 175.900 -0.042 0.000 1.049 593 Y CA 0.055 58.045 58.100 -0.183 0.000 1.294 593 Y CB 0.433 38.509 38.460 -0.640 0.000 1.179 593 Y HN 0.438 nan 8.280 nan 0.000 0.520 594 R N 3.537 123.670 120.500 -0.612 0.000 3.322 594 R HA -0.285 4.055 4.340 0.000 0.000 0.253 594 R C 1.195 177.446 176.300 -0.082 0.000 0.987 594 R CA 0.618 56.502 56.100 -0.360 0.000 0.666 594 R CB -2.004 28.087 30.300 -0.349 0.000 1.072 594 R HN 0.894 nan 8.270 nan 0.000 0.447 595 A N 1.575 124.371 122.820 -0.039 0.000 1.882 595 A HA -0.373 3.947 4.320 0.000 0.000 0.220 595 A C 1.921 179.535 177.584 0.051 0.000 1.253 595 A CA 2.312 54.366 52.037 0.029 0.000 0.664 595 A CB -0.636 18.381 19.000 0.029 0.000 0.838 595 A HN 0.832 nan 8.150 nan 0.000 0.460 596 N N -1.912 116.803 118.700 0.025 0.000 2.354 596 N HA -0.065 4.675 4.740 0.000 0.000 0.179 596 N C 1.399 176.951 175.510 0.070 0.000 1.021 596 N CA 1.156 54.229 53.050 0.038 0.000 0.887 596 N CB -0.134 38.350 38.487 -0.004 0.000 0.974 596 N HN 0.317 nan 8.380 nan 0.000 0.437 597 K N 0.437 120.867 120.400 0.050 0.000 2.217 597 K HA 0.085 4.405 4.320 0.000 0.000 0.202 597 K C 1.712 178.540 176.600 0.380 0.000 1.051 597 K CA 0.409 56.775 56.287 0.132 0.000 0.952 597 K CB -0.166 32.383 32.500 0.081 0.000 0.736 597 K HN 0.063 nan 8.250 nan 0.000 0.453 598 V N 0.611 120.705 119.914 0.300 0.000 2.229 598 V HA -0.219 3.902 4.120 0.000 0.000 0.243 598 V C 2.121 178.398 176.094 0.305 0.000 1.042 598 V CA 1.999 64.502 62.300 0.339 0.000 1.000 598 V CB -0.830 31.127 31.823 0.223 0.000 0.637 598 V HN 0.344 nan 8.190 nan 0.000 0.446 599 A N -0.526 122.421 122.820 0.212 0.000 2.042 599 A HA -0.300 4.020 4.320 0.000 0.000 0.222 599 A C 2.062 179.761 177.584 0.191 0.000 1.167 599 A CA 2.318 54.459 52.037 0.174 0.000 0.649 599 A CB -0.800 18.278 19.000 0.129 0.000 0.809 599 A HN 0.577 nan 8.150 nan 0.000 0.457 600 F N -0.930 119.039 119.950 0.033 0.000 2.051 600 F HA -0.137 4.389 4.527 -0.000 0.000 0.296 600 F C 1.971 177.750 175.800 -0.035 0.000 1.122 600 F CA 1.627 59.575 58.000 -0.088 0.000 1.201 600 F CB -0.816 38.022 39.000 -0.270 0.000 0.978 600 F HN 0.385 nan 8.300 nan 0.000 0.472 601 W N -0.227 121.088 121.300 0.025 0.000 2.402 601 W HA -0.111 4.549 4.660 -0.000 0.000 0.286 601 W C 2.078 178.590 176.519 -0.012 0.000 1.221 601 W CA 0.337 57.654 57.345 -0.047 0.000 1.257 601 W CB -0.478 29.072 29.460 0.150 0.000 1.120 601 W HN 0.066 nan 8.180 nan 0.000 0.551 602 L N -0.176 121.196 121.223 0.248 0.000 2.102 602 L HA -0.081 4.259 4.340 0.000 0.000 0.202 602 L C 2.381 179.323 176.870 0.120 0.000 1.076 602 L CA 1.725 56.664 54.840 0.166 0.000 0.761 602 L CB -0.924 41.229 42.059 0.158 0.000 0.921 602 L HN -0.117 nan 8.230 nan 0.000 0.444 603 E N -0.904 119.366 120.200 0.116 0.000 2.057 603 E HA -0.065 4.285 4.350 0.000 0.000 0.191 603 E C 2.048 178.752 176.600 0.174 0.000 0.959 603 E CA 0.584 57.065 56.400 0.135 0.000 0.828 603 E CB -0.773 29.001 29.700 0.125 0.000 0.800 603 E HN 0.194 nan 8.360 nan 0.000 0.460 604 L N 1.817 123.098 121.223 0.097 0.000 1.988 604 L HA -0.095 4.245 4.340 0.000 0.000 0.207 604 L C 2.397 179.288 176.870 0.034 0.000 1.071 604 L CA 1.376 56.271 54.840 0.091 0.000 0.744 604 L CB -0.704 41.388 42.059 0.055 0.000 0.893 604 L HN -0.099 nan 8.230 nan 0.000 0.433 605 V N 0.729 120.507 119.914 -0.226 0.000 2.313 605 V HA -0.282 3.838 4.120 0.000 0.000 0.253 605 V C 0.087 176.208 176.094 0.046 0.000 1.070 605 V CA 2.445 64.600 62.300 -0.242 0.000 1.057 605 V CB -2.171 29.446 31.823 -0.345 0.000 0.653 605 V HN 0.370 nan 8.190 nan 0.000 0.450 606 P HA -0.229 nan 4.420 nan 0.000 0.218 606 P C 1.359 178.745 177.300 0.143 0.000 1.165 606 P CA 2.071 65.253 63.100 0.136 0.000 0.922 606 P CB -0.229 31.428 31.700 -0.071 0.000 0.794 607 H N -1.873 117.249 119.070 0.088 0.000 2.521 607 H HA 0.026 4.582 4.556 0.000 0.000 0.286 607 H C 1.110 176.448 175.328 0.018 0.000 1.034 607 H CA 0.490 56.569 56.048 0.053 0.000 1.278 607 H CB -0.930 28.841 29.762 0.016 0.000 1.386 607 H HN 0.121 nan 8.280 nan 0.000 0.567 608 L N 0.633 121.878 121.223 0.036 0.000 2.862 608 L HA 0.091 4.431 4.340 0.000 0.000 0.240 608 L C 0.420 177.086 176.870 -0.340 0.000 1.283 608 L CA 0.193 54.950 54.840 -0.137 0.000 1.117 608 L CB -0.203 41.737 42.059 -0.200 0.000 1.444 608 L HN 0.397 nan 8.230 nan 0.000 0.456 609 H N -2.504 116.579 119.070 0.022 0.000 2.381 609 H HA 0.168 4.724 4.556 0.000 0.000 0.252 609 H C 0.828 176.167 175.328 0.019 0.000 0.920 609 H CA -0.312 55.754 56.048 0.030 0.000 1.100 609 H CB 0.325 30.103 29.762 0.027 0.000 1.435 609 H HN 0.237 nan 8.280 nan 0.000 0.454 610 N N 0.000 118.779 118.700 0.132 0.000 1.763 610 N HA 0.000 4.740 4.740 0.000 0.000 0.220 610 N CA 0.000 53.090 53.050 0.067 0.000 0.885 610 N CB 0.000 38.517 38.487 0.050 0.000 1.341 610 N HN 0.000 nan 8.380 nan 0.000 0.667