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 2e8y_1_B DATA FIRST_RESID 1 DATA SEQUENCE MVSIRRSFEA YVDDMNIITV LIPAEQKEIM TPPFRLETEI TDFPLAVREE DATA SEQUENCE YSLEAKYKYV CVSDHPVTFG KIHCVRASSG HKTDLQIGAV IRTAAFDDEF DATA SEQUENCE YYDGELGAVY TADHTVFKVW APAATSAAVK LSHPNKSGRT FQMTRLEKGV DATA SEQUENCE YAVTVTGDLH GYEYLFCICN NSEWMETVDQ YAKAVTVNGE KGVVLRPDQM DATA SEQUENCE KWTAPLKPFS HPVDAVIYET HLRDFSIHEN SGMINKGKYL ALTETDTQTA DATA SEQUENCE NGSSSGLAYV KELGVTHVEL LPVNDFAGVD EEKPLDAYNW GYNPLHFFAP DATA SEQUENCE EGSYASNPHD PQTRKTELKQ MINTLHQHGL RVILDVVFNH VYKRENSPFE DATA SEQUENCE KTVPGYFFRH DECGKPSNGT GVGNDIASER RMARKFIADC VVYWLEEYNV DATA SEQUENCE DGFRFDLLGI LDIDTVLYMK EKATKAKPGI LLFGEGWDLA TPLPHEQKAA DATA SEQUENCE LANAPRMPGI GFFNDMFRDA VKGNTFHLKA TGFALGNGES AQAVMHGIAG DATA SEQUENCE SSGWKALAPI VPEPSQSINY VESHDNHTFW DKMSFALPQE NDSRKRSRQR DATA SEQUENCE LAVAIILLAQ GVPFIHSGQE FFRTKQGVEN SYQSSDSINQ LDWDRRETFK DATA SEQUENCE EDVHYIRRLI SLRKAHPAFR LRSAADIQRH LECLTLKEHL IAYRLYDLDE DATA SEQUENCE VDEWKDIIVI HHASPDSVEW RLPNDIPYRL LCDPSGFQED PTEIKKTVAV DATA SEQUENCE NGIGTVILYL AS 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.311 176.300 0.018 0.000 1.140 1 M CA 0.000 55.310 55.300 0.017 0.000 0.988 1 M CB 0.000 32.609 32.600 0.016 0.000 1.302 2 V N 1.821 121.746 119.914 0.018 0.000 3.585 2 V HA -0.067 4.053 4.120 -0.000 0.000 0.489 2 V C -0.739 175.367 176.094 0.020 0.000 0.682 2 V CA 1.159 63.470 62.300 0.019 0.000 2.013 2 V CB -1.993 29.842 31.823 0.020 0.000 2.442 2 V HN 1.315 nan 8.190 nan 0.000 0.504 3 S N 3.977 119.687 115.700 0.018 0.000 2.627 3 S HA 0.728 5.198 4.470 -0.000 0.000 0.268 3 S C -0.844 173.761 174.600 0.009 0.000 1.130 3 S CA -1.042 57.167 58.200 0.015 0.000 0.819 3 S CB 1.475 64.684 63.200 0.015 0.000 1.100 3 S HN 0.838 nan 8.310 nan 0.000 0.465 4 I N 1.805 122.376 120.570 0.002 0.000 2.533 4 I HA 0.233 4.403 4.170 -0.000 0.000 0.284 4 I C 1.156 177.265 176.117 -0.013 0.000 1.109 4 I CA -0.244 61.051 61.300 -0.007 0.000 1.412 4 I CB 0.408 38.396 38.000 -0.021 0.000 1.396 4 I HN 0.593 nan 8.210 nan 0.000 0.543 5 R N 7.033 127.529 120.500 -0.008 0.000 2.489 5 R HA 0.292 4.632 4.340 -0.000 0.000 0.287 5 R C -0.671 175.615 176.300 -0.024 0.000 1.053 5 R CA 0.016 56.113 56.100 -0.006 0.000 1.036 5 R CB 0.504 30.808 30.300 0.007 0.000 0.966 5 R HN 0.633 nan 8.270 nan 0.000 0.432 6 R N 1.878 122.359 120.500 -0.031 0.000 2.673 6 R HA 0.196 4.536 4.340 -0.000 0.000 0.281 6 R C 0.511 176.789 176.300 -0.036 0.000 0.991 6 R CA -0.678 55.378 56.100 -0.073 0.000 0.896 6 R CB 2.165 32.384 30.300 -0.135 0.000 1.201 6 R HN 0.656 nan 8.270 nan 0.000 0.457 7 S N 1.590 117.272 115.700 -0.031 0.000 2.383 7 S HA -0.009 4.461 4.470 -0.000 0.000 0.227 7 S C 0.269 174.992 174.600 0.206 0.000 1.026 7 S CA 1.323 59.585 58.200 0.103 0.000 0.981 7 S CB -0.125 63.230 63.200 0.259 0.000 0.818 7 S HN 0.525 nan 8.310 nan 0.000 0.472 8 F N -0.761 119.181 119.950 -0.013 0.000 3.052 8 F HA 0.726 5.253 4.527 -0.000 0.000 0.323 8 F C -1.424 174.348 175.800 -0.045 0.000 1.178 8 F CA -1.468 56.524 58.000 -0.013 0.000 0.892 8 F CB 1.017 40.018 39.000 0.002 0.000 1.416 8 F HN -0.264 nan 8.300 nan 0.000 0.488 9 E N 0.533 120.790 120.200 0.094 0.000 2.256 9 E HA 0.773 5.123 4.350 -0.000 0.000 0.267 9 E C -1.479 175.067 176.600 -0.089 0.000 0.892 9 E CA -1.483 54.837 56.400 -0.134 0.000 0.775 9 E CB 2.361 32.064 29.700 0.005 0.000 1.207 9 E HN 0.906 nan 8.360 nan 0.000 0.420 10 A N 2.277 124.857 122.820 -0.400 0.000 2.427 10 A HA 0.642 4.962 4.320 -0.000 0.000 0.298 10 A C -1.885 175.415 177.584 -0.474 0.000 1.036 10 A CA -0.563 51.323 52.037 -0.252 0.000 0.701 10 A CB 0.605 19.514 19.000 -0.152 0.000 1.250 10 A HN 0.536 nan 8.150 nan 0.000 0.412 11 Y N 0.406 120.674 120.300 -0.053 0.000 2.499 11 Y HA 0.555 5.105 4.550 -0.000 0.000 0.347 11 Y C 0.161 176.031 175.900 -0.049 0.000 0.987 11 Y CA -1.000 57.069 58.100 -0.051 0.000 1.044 11 Y CB 2.308 40.741 38.460 -0.044 0.000 1.245 11 Y HN 0.544 nan 8.280 nan 0.000 0.461 12 V N 3.719 123.696 119.914 0.105 0.000 2.320 12 V HA 0.250 4.370 4.120 -0.000 0.000 0.265 12 V C -0.289 175.858 176.094 0.088 0.000 1.048 12 V CA -0.049 62.287 62.300 0.059 0.000 0.865 12 V CB 0.394 32.223 31.823 0.009 0.000 1.043 12 V HN 0.897 nan 8.190 nan 0.000 0.474 13 D N 3.981 124.422 120.400 0.068 0.000 2.354 13 D HA 0.193 4.833 4.640 -0.000 0.000 0.209 13 D C 0.231 176.558 176.300 0.045 0.000 1.015 13 D CA 0.624 54.646 54.000 0.036 0.000 0.867 13 D CB 0.610 41.419 40.800 0.016 0.000 0.933 13 D HN 0.704 nan 8.370 nan 0.000 0.520 14 D N -1.225 119.226 120.400 0.085 0.000 2.665 14 D HA 0.088 4.728 4.640 -0.000 0.000 0.287 14 D C 1.094 177.500 176.300 0.177 0.000 1.266 14 D CA -0.466 53.604 54.000 0.115 0.000 0.830 14 D CB 1.048 41.899 40.800 0.085 0.000 1.356 14 D HN -0.393 nan 8.370 nan 0.000 0.437 15 M N 0.464 120.195 119.600 0.219 0.000 2.195 15 M HA -0.100 4.379 4.480 -0.000 0.000 0.260 15 M C 0.733 177.127 176.300 0.157 0.000 1.066 15 M CA 1.502 56.960 55.300 0.263 0.000 1.089 15 M CB -0.811 31.930 32.600 0.235 0.000 1.377 15 M HN 0.314 nan 8.290 nan 0.000 0.411 16 N N -0.397 118.369 118.700 0.109 0.000 2.241 16 N HA 0.221 4.960 4.740 -0.000 0.000 0.238 16 N C -0.764 174.781 175.510 0.058 0.000 1.244 16 N CA 0.001 53.095 53.050 0.073 0.000 0.880 16 N CB 1.529 40.057 38.487 0.068 0.000 1.179 16 N HN 0.201 nan 8.380 nan 0.000 0.513 17 I N 1.434 122.041 120.570 0.060 0.000 2.406 17 I HA 0.406 4.576 4.170 -0.000 0.000 0.290 17 I C -0.227 175.913 176.117 0.038 0.000 0.999 17 I CA -0.372 60.958 61.300 0.050 0.000 1.124 17 I CB 1.925 39.956 38.000 0.052 0.000 1.289 17 I HN -0.145 nan 8.210 nan 0.000 0.441 18 I N 5.430 126.017 120.570 0.028 0.000 2.410 18 I HA 0.293 4.463 4.170 -0.000 0.000 0.286 18 I C -0.316 175.811 176.117 0.016 0.000 1.009 18 I CA -0.342 60.966 61.300 0.014 0.000 1.111 18 I CB 1.652 39.645 38.000 -0.012 0.000 1.262 18 I HN 0.476 nan 8.210 nan 0.000 0.443 19 T N 5.848 120.429 114.554 0.045 0.000 2.806 19 T HA 0.394 4.744 4.350 -0.000 0.000 0.290 19 T C -0.111 174.621 174.700 0.052 0.000 0.966 19 T CA -0.330 61.795 62.100 0.043 0.000 1.060 19 T CB 1.466 70.367 68.868 0.054 0.000 0.927 19 T HN 0.160 nan 8.240 nan 0.000 0.485 20 V N 5.516 125.420 119.914 -0.017 0.000 2.409 20 V HA 0.424 4.544 4.120 -0.000 0.000 0.291 20 V C -0.285 175.845 176.094 0.060 0.000 1.020 20 V CA -0.800 61.464 62.300 -0.061 0.000 0.848 20 V CB 1.302 32.815 31.823 -0.516 0.000 0.990 20 V HN 0.718 nan 8.190 nan 0.000 0.430 21 L N 6.443 127.758 121.223 0.153 0.000 2.280 21 L HA 0.613 4.953 4.340 -0.000 0.000 0.287 21 L C -0.594 176.406 176.870 0.216 0.000 1.023 21 L CA -0.323 54.610 54.840 0.155 0.000 0.819 21 L CB 1.544 43.705 42.059 0.170 0.000 1.212 21 L HN 0.473 nan 8.230 nan 0.000 0.420 22 I N 5.435 126.131 120.570 0.210 0.000 2.354 22 I HA 0.326 4.496 4.170 -0.000 0.000 0.292 22 I C -1.971 174.251 176.117 0.174 0.000 0.989 22 I CA -2.146 59.279 61.300 0.210 0.000 1.188 22 I CB 2.030 40.177 38.000 0.246 0.000 1.342 22 I HN 0.326 nan 8.210 nan 0.000 0.457 23 P HA -0.050 nan 4.420 nan 0.000 0.265 23 P C 0.521 177.875 177.300 0.090 0.000 1.193 23 P CA 0.111 63.273 63.100 0.103 0.000 0.765 23 P CB 0.989 32.739 31.700 0.084 0.000 0.823 24 A N 4.759 127.629 122.820 0.084 0.000 1.915 24 A HA -0.271 4.049 4.320 -0.000 0.000 0.220 24 A C 1.778 179.383 177.584 0.035 0.000 1.198 24 A CA 2.208 54.286 52.037 0.068 0.000 0.647 24 A CB -1.294 17.741 19.000 0.060 0.000 0.825 24 A HN 0.584 nan 8.150 nan 0.000 0.456 25 E N 0.021 120.239 120.200 0.031 0.000 2.401 25 E HA -0.109 4.241 4.350 -0.000 0.000 0.199 25 E C 1.349 177.953 176.600 0.007 0.000 1.023 25 E CA 1.037 57.447 56.400 0.016 0.000 0.859 25 E CB -0.029 29.682 29.700 0.019 0.000 0.780 25 E HN 0.651 nan 8.360 nan 0.000 0.523 26 Q N -0.238 119.569 119.800 0.011 0.000 2.171 26 Q HA 0.151 4.491 4.340 -0.000 0.000 0.218 26 Q C 1.240 177.237 176.000 -0.006 0.000 0.822 26 Q CA -0.016 55.781 55.803 -0.010 0.000 0.987 26 Q CB 0.612 29.332 28.738 -0.030 0.000 1.144 26 Q HN 0.255 nan 8.270 nan 0.000 0.494 27 K N 1.425 121.826 120.400 0.001 0.000 2.044 27 K HA -0.170 4.150 4.320 -0.000 0.000 0.210 27 K C 1.161 177.735 176.600 -0.043 0.000 1.049 27 K CA 1.299 57.575 56.287 -0.018 0.000 0.927 27 K CB 0.375 32.799 32.500 -0.127 0.000 0.713 27 K HN -0.013 nan 8.250 nan 0.000 0.443 28 E N 0.150 120.317 120.200 -0.054 0.000 2.482 28 E HA -0.050 4.300 4.350 -0.000 0.000 0.196 28 E C 1.749 178.328 176.600 -0.035 0.000 1.047 28 E CA 0.583 56.953 56.400 -0.050 0.000 0.869 28 E CB 0.195 29.868 29.700 -0.046 0.000 0.836 28 E HN 0.494 nan 8.360 nan 0.000 0.520 29 I N -0.560 119.993 120.570 -0.028 0.000 2.899 29 I HA 0.023 4.193 4.170 -0.000 0.000 0.257 29 I C 1.125 177.226 176.117 -0.026 0.000 1.115 29 I CA 0.222 61.514 61.300 -0.014 0.000 1.451 29 I CB 0.172 38.170 38.000 -0.004 0.000 1.251 29 I HN -0.091 nan 8.210 nan 0.000 0.456 30 M N 2.851 122.412 119.600 -0.065 0.000 3.176 30 M HA 0.147 4.627 4.480 -0.000 0.000 0.284 30 M C -0.118 176.107 176.300 -0.126 0.000 1.392 30 M CA -0.083 55.151 55.300 -0.109 0.000 1.520 30 M CB -0.221 32.249 32.600 -0.217 0.000 1.100 30 M HN 0.236 nan 8.290 nan 0.000 0.555 31 T N -0.858 113.568 114.554 -0.212 0.000 2.952 31 T HA 0.702 5.052 4.350 -0.000 0.000 0.286 31 T C -2.650 171.555 174.700 -0.824 0.000 1.024 31 T CA -2.086 59.800 62.100 -0.357 0.000 1.029 31 T CB 1.575 70.326 68.868 -0.195 0.000 1.094 31 T HN 0.171 nan 8.240 nan 0.000 0.515 32 P HA 0.318 nan 4.420 nan 0.000 0.275 32 P C -2.676 174.275 177.300 -0.581 0.000 1.266 32 P CA -1.419 60.898 63.100 -1.305 0.000 0.793 32 P CB -1.119 30.010 31.700 -0.952 0.000 1.074 33 P HA 0.126 nan 4.420 nan 0.000 0.265 33 P C -0.796 176.233 177.300 -0.453 0.000 1.193 33 P CA 0.755 63.646 63.100 -0.349 0.000 0.765 33 P CB -0.058 31.550 31.700 -0.152 0.000 0.823 34 F N 2.386 122.277 119.950 -0.100 0.000 2.443 34 F HA 0.501 5.028 4.527 -0.000 0.000 0.335 34 F C 1.295 177.092 175.800 -0.005 0.000 1.104 34 F CA -0.637 57.319 58.000 -0.074 0.000 1.013 34 F CB 1.751 40.687 39.000 -0.107 0.000 1.136 34 F HN 0.033 nan 8.300 nan 0.000 0.470 35 R N 2.049 122.686 120.500 0.228 0.000 2.803 35 R HA 0.660 5.000 4.340 -0.000 0.000 0.276 35 R C -1.785 174.608 176.300 0.155 0.000 0.978 35 R CA -1.332 54.866 56.100 0.163 0.000 0.939 35 R CB 2.432 32.801 30.300 0.116 0.000 1.179 35 R HN 0.433 nan 8.270 nan 0.000 0.472 36 L N 1.562 122.867 121.223 0.137 0.000 2.313 36 L HA 0.388 4.728 4.340 -0.000 0.000 0.283 36 L C -0.858 176.041 176.870 0.049 0.000 1.013 36 L CA 0.085 54.990 54.840 0.109 0.000 0.816 36 L CB 1.423 43.557 42.059 0.126 0.000 1.236 36 L HN 0.590 nan 8.230 nan 0.000 0.419 37 E N 2.386 122.600 120.200 0.023 0.000 2.277 37 E HA 0.778 5.128 4.350 -0.000 0.000 0.266 37 E C -0.931 175.590 176.600 -0.131 0.000 0.901 37 E CA -0.774 55.588 56.400 -0.063 0.000 0.782 37 E CB 2.158 31.832 29.700 -0.042 0.000 1.228 37 E HN 0.674 nan 8.360 nan 0.000 0.424 38 T N -2.688 111.737 114.554 -0.214 0.000 2.816 38 T HA 0.155 4.505 4.350 -0.000 0.000 0.299 38 T C 0.716 175.293 174.700 -0.204 0.000 1.230 38 T CA -0.820 61.097 62.100 -0.303 0.000 1.007 38 T CB 1.200 69.810 68.868 -0.431 0.000 1.289 38 T HN 0.628 nan 8.240 nan 0.000 0.508 39 E N 0.312 120.405 120.200 -0.179 0.000 2.331 39 E HA -0.062 4.288 4.350 -0.000 0.000 0.199 39 E C 1.221 177.754 176.600 -0.113 0.000 1.008 39 E CA 1.336 57.665 56.400 -0.119 0.000 0.843 39 E CB -0.511 29.132 29.700 -0.094 0.000 0.761 39 E HN 0.738 nan 8.360 nan 0.000 0.507 40 I N -0.017 120.467 120.570 -0.144 0.000 4.139 40 I HA 0.109 4.279 4.170 -0.000 0.000 0.320 40 I C 0.430 176.437 176.117 -0.184 0.000 1.290 40 I CA 0.084 61.306 61.300 -0.129 0.000 1.253 40 I CB 0.894 38.830 38.000 -0.107 0.000 1.122 40 I HN -0.088 nan 8.210 nan 0.000 0.421 41 T N 0.581 114.971 114.554 -0.273 0.000 2.916 41 T HA 0.340 4.690 4.350 -0.000 0.000 0.292 41 T C -1.072 173.379 174.700 -0.415 0.000 1.055 41 T CA -0.368 61.449 62.100 -0.472 0.000 1.009 41 T CB 2.542 70.958 68.868 -0.753 0.000 1.118 41 T HN -0.016 nan 8.240 nan 0.000 0.497 42 D N 1.704 121.817 120.400 -0.478 0.000 2.328 42 D HA 0.298 4.938 4.640 -0.000 0.000 0.243 42 D C -1.275 175.036 176.300 0.019 0.000 1.324 42 D CA -0.242 53.651 54.000 -0.179 0.000 0.966 42 D CB 0.346 41.113 40.800 -0.056 0.000 1.324 42 D HN 0.414 nan 8.370 nan 0.000 0.549 43 F N 2.462 122.434 119.950 0.035 0.000 2.556 43 F HA 0.540 5.067 4.527 -0.000 0.000 0.327 43 F C -1.788 174.037 175.800 0.041 0.000 1.059 43 F CA -2.219 55.802 58.000 0.035 0.000 0.953 43 F CB 2.545 41.567 39.000 0.037 0.000 1.227 43 F HN 0.043 nan 8.300 nan 0.000 0.478 44 P HA 0.315 nan 4.420 nan 0.000 0.281 44 P C -1.312 176.066 177.300 0.129 0.000 1.249 44 P CA -0.238 62.943 63.100 0.136 0.000 0.810 44 P CB 1.869 33.615 31.700 0.076 0.000 1.008 45 L N 1.341 122.638 121.223 0.123 0.000 2.346 45 L HA 0.653 4.993 4.340 -0.000 0.000 0.276 45 L C 0.372 177.303 176.870 0.103 0.000 1.006 45 L CA -1.012 53.901 54.840 0.121 0.000 0.817 45 L CB 1.913 44.064 42.059 0.152 0.000 1.272 45 L HN 0.379 nan 8.230 nan 0.000 0.421 46 A N 3.067 125.939 122.820 0.086 0.000 2.292 46 A HA 0.641 4.961 4.320 -0.000 0.000 0.319 46 A C -0.436 177.210 177.584 0.104 0.000 1.206 46 A CA -0.485 51.599 52.037 0.078 0.000 0.835 46 A CB 1.098 20.131 19.000 0.055 0.000 1.164 46 A HN 0.406 nan 8.150 nan 0.000 0.505 47 V N 3.801 123.789 119.914 0.123 0.000 2.455 47 V HA 0.173 4.293 4.120 -0.000 0.000 0.273 47 V C 1.489 177.659 176.094 0.127 0.000 1.045 47 V CA 0.170 62.570 62.300 0.167 0.000 0.976 47 V CB 0.787 32.754 31.823 0.238 0.000 0.993 47 V HN 1.095 nan 8.190 nan 0.000 0.475 48 R N 3.161 123.729 120.500 0.114 0.000 2.175 48 R HA 0.153 4.493 4.340 -0.000 0.000 0.202 48 R C 0.355 176.711 176.300 0.094 0.000 1.018 48 R CA 0.641 56.794 56.100 0.089 0.000 1.029 48 R CB 0.551 30.895 30.300 0.074 0.000 0.959 48 R HN 0.925 nan 8.270 nan 0.000 0.480 49 E N -0.132 120.130 120.200 0.103 0.000 2.401 49 E HA 0.184 4.534 4.350 -0.000 0.000 0.280 49 E C -1.727 174.898 176.600 0.041 0.000 1.039 49 E CA -1.052 55.410 56.400 0.103 0.000 0.814 49 E CB 1.665 31.445 29.700 0.134 0.000 1.275 49 E HN 0.225 nan 8.360 nan 0.000 0.448 50 E N 0.647 120.847 120.200 -0.000 0.000 2.363 50 E HA 0.596 4.946 4.350 -0.000 0.000 0.281 50 E C -1.509 174.916 176.600 -0.291 0.000 0.953 50 E CA -0.951 55.251 56.400 -0.330 0.000 0.778 50 E CB 1.638 31.171 29.700 -0.279 0.000 1.220 50 E HN 0.643 nan 8.360 nan 0.000 0.431 51 Y N -1.116 118.770 120.300 -0.691 0.000 2.741 51 Y HA 0.582 5.132 4.550 -0.000 0.000 0.339 51 Y C -1.036 174.427 175.900 -0.729 0.000 1.226 51 Y CA -1.107 56.677 58.100 -0.526 0.000 1.072 51 Y CB 0.609 38.931 38.460 -0.230 0.000 1.331 51 Y HN 0.611 nan 8.280 nan 0.000 0.453 52 S N 1.780 117.448 115.700 -0.054 0.000 2.616 52 S HA 0.836 5.306 4.470 -0.000 0.000 0.277 52 S C -0.677 173.984 174.600 0.103 0.000 1.234 52 S CA -0.648 57.582 58.200 0.050 0.000 1.028 52 S CB 1.313 64.670 63.200 0.262 0.000 0.988 52 S HN 0.727 nan 8.310 nan 0.000 0.522 53 L N 0.591 121.853 121.223 0.065 0.000 2.343 53 L HA 0.433 4.773 4.340 -0.000 0.000 0.264 53 L C 2.007 178.913 176.870 0.061 0.000 1.050 53 L CA -1.097 53.782 54.840 0.067 0.000 0.956 53 L CB 0.634 42.715 42.059 0.036 0.000 1.576 53 L HN 0.945 nan 8.230 nan 0.000 0.521 54 E N 0.921 121.149 120.200 0.046 0.000 2.035 54 E HA -0.241 4.109 4.350 -0.000 0.000 0.204 54 E C 0.874 177.503 176.600 0.047 0.000 1.025 54 E CA 1.852 58.276 56.400 0.040 0.000 0.835 54 E CB -0.186 29.532 29.700 0.030 0.000 0.764 54 E HN 0.579 nan 8.360 nan 0.000 0.457 55 A N 0.277 123.126 122.820 0.049 0.000 2.605 55 A HA 0.314 4.634 4.320 -0.000 0.000 0.292 55 A C -0.394 177.232 177.584 0.070 0.000 1.055 55 A CA -0.639 51.431 52.037 0.055 0.000 0.969 55 A CB 0.445 19.472 19.000 0.045 0.000 1.236 55 A HN 0.074 nan 8.150 nan 0.000 0.534 56 K N -0.836 119.610 120.400 0.077 0.000 2.477 56 K HA 0.495 4.815 4.320 -0.000 0.000 0.255 56 K C -1.924 174.740 176.600 0.106 0.000 0.952 56 K CA -0.694 55.649 56.287 0.093 0.000 0.826 56 K CB 2.235 34.778 32.500 0.070 0.000 1.331 56 K HN 0.144 nan 8.250 nan 0.000 0.437 57 Y N 1.913 122.200 120.300 -0.021 0.000 2.331 57 Y HA 0.290 4.840 4.550 -0.000 0.000 0.338 57 Y C -0.582 175.209 175.900 -0.182 0.000 0.992 57 Y CA -0.537 57.494 58.100 -0.114 0.000 1.121 57 Y CB 1.263 39.660 38.460 -0.105 0.000 1.184 57 Y HN 0.416 nan 8.280 nan 0.000 0.469 58 K N 5.444 125.350 120.400 -0.822 0.000 2.206 58 K HA 0.418 4.738 4.320 -0.000 0.000 0.264 58 K C -2.130 173.952 176.600 -0.864 0.000 0.967 58 K CA -0.535 55.338 56.287 -0.690 0.000 0.844 58 K CB 0.778 32.845 32.500 -0.721 0.000 1.099 58 K HN 0.692 nan 8.250 nan 0.000 0.441 59 Y N 2.237 122.343 120.300 -0.324 0.000 2.331 59 Y HA 0.276 4.826 4.550 -0.000 0.000 0.334 59 Y C -0.484 175.323 175.900 -0.155 0.000 0.960 59 Y CA -1.006 56.983 58.100 -0.185 0.000 1.130 59 Y CB 2.045 40.517 38.460 0.021 0.000 1.164 59 Y HN 0.148 nan 8.280 nan 0.000 0.458 60 V N 4.050 123.974 119.914 0.016 0.000 2.334 60 V HA 0.242 4.362 4.120 -0.000 0.000 0.267 60 V C -0.114 176.028 176.094 0.079 0.000 1.040 60 V CA -0.615 61.701 62.300 0.027 0.000 0.866 60 V CB -0.189 31.648 31.823 0.025 0.000 1.019 60 V HN 0.886 nan 8.190 nan 0.000 0.468 61 C N 4.858 124.199 119.300 0.069 0.000 2.397 61 C HA 0.795 5.255 4.460 -0.000 0.000 0.343 61 C C 0.257 175.286 174.990 0.065 0.000 1.188 61 C CA -0.787 58.280 59.018 0.082 0.000 1.992 61 C CB 1.444 29.232 27.740 0.080 0.000 2.358 61 C HN 0.596 nan 8.230 nan 0.000 0.518 62 V N 2.388 122.344 119.914 0.069 0.000 2.604 62 V HA 0.650 4.770 4.120 -0.000 0.000 0.305 62 V C 0.051 176.182 176.094 0.060 0.000 1.043 62 V CA -0.169 62.166 62.300 0.059 0.000 0.888 62 V CB 2.011 33.865 31.823 0.053 0.000 0.995 62 V HN 1.049 nan 8.190 nan 0.000 0.429 63 S N 1.443 117.178 115.700 0.058 0.000 2.501 63 S HA 0.439 4.909 4.470 -0.000 0.000 0.301 63 S C 0.220 174.849 174.600 0.048 0.000 1.096 63 S CA -0.716 57.526 58.200 0.069 0.000 1.063 63 S CB 1.842 65.092 63.200 0.084 0.000 1.042 63 S HN 0.620 nan 8.310 nan 0.000 0.494 64 D N 1.324 121.736 120.400 0.020 0.000 2.097 64 D HA 0.046 4.686 4.640 -0.000 0.000 0.197 64 D C 1.235 177.538 176.300 0.005 0.000 0.984 64 D CA 2.117 56.103 54.000 -0.023 0.000 0.826 64 D CB -0.930 39.800 40.800 -0.118 0.000 0.973 64 D HN 0.924 nan 8.370 nan 0.000 0.460 65 H N 0.561 119.659 119.070 0.047 0.000 2.502 65 H HA 0.518 5.074 4.556 -0.000 0.000 0.327 65 H C -2.369 173.031 175.328 0.120 0.000 1.099 65 H CA -2.227 53.886 56.048 0.109 0.000 1.323 65 H CB 0.035 29.937 29.762 0.234 0.000 1.450 65 H HN -0.119 nan 8.280 nan 0.000 0.502 66 P HA 0.104 nan 4.420 nan 0.000 0.268 66 P C -0.042 177.295 177.300 0.062 0.000 1.205 66 P CA -0.309 62.847 63.100 0.094 0.000 0.771 66 P CB 0.768 32.534 31.700 0.111 0.000 0.858 67 V N 3.432 123.323 119.914 -0.039 0.000 2.673 67 V HA -0.014 4.106 4.120 -0.000 0.000 0.303 67 V C 0.737 176.699 176.094 -0.221 0.000 1.046 67 V CA 0.853 62.980 62.300 -0.289 0.000 1.126 67 V CB -0.022 31.400 31.823 -0.668 0.000 0.934 67 V HN 0.549 nan 8.190 nan 0.000 0.487 68 T N 6.963 121.482 114.554 -0.058 0.000 2.891 68 T HA 0.410 4.760 4.350 -0.000 0.000 0.315 68 T C -0.199 174.590 174.700 0.149 0.000 1.054 68 T CA -0.071 62.106 62.100 0.128 0.000 0.958 68 T CB -0.463 68.502 68.868 0.161 0.000 1.008 68 T HN 0.289 nan 8.240 nan 0.000 0.521 69 F N 1.794 121.890 119.950 0.244 0.000 2.529 69 F HA 0.428 4.955 4.527 -0.000 0.000 0.365 69 F C 1.685 177.547 175.800 0.103 0.000 1.102 69 F CA 0.814 58.908 58.000 0.157 0.000 1.271 69 F CB 0.468 39.509 39.000 0.068 0.000 1.120 69 F HN 0.744 nan 8.300 nan 0.000 0.579 70 G N 1.151 110.093 108.800 0.236 0.000 2.278 70 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.210 70 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.210 70 G C -0.016 174.945 174.900 0.102 0.000 1.000 70 G CA -0.684 44.515 45.100 0.166 0.000 0.635 70 G HN 0.392 nan 8.290 nan 0.000 0.495 71 K N 0.708 121.151 120.400 0.071 0.000 2.164 71 K HA 0.635 4.955 4.320 -0.000 0.000 0.258 71 K C 0.398 176.943 176.600 -0.092 0.000 0.951 71 K CA -0.860 55.394 56.287 -0.055 0.000 0.844 71 K CB 1.891 34.290 32.500 -0.168 0.000 1.099 71 K HN 0.303 nan 8.250 nan 0.000 0.435 72 I N 3.795 124.293 120.570 -0.120 0.000 2.618 72 I HA -0.033 4.137 4.170 -0.000 0.000 0.284 72 I C 0.671 176.663 176.117 -0.208 0.000 1.146 72 I CA 0.479 61.721 61.300 -0.097 0.000 1.425 72 I CB 0.182 38.132 38.000 -0.083 0.000 1.383 72 I HN 0.204 nan 8.210 nan 0.000 0.562 73 H N 5.095 124.104 119.070 -0.102 0.000 2.495 73 H HA 0.417 4.973 4.556 -0.000 0.000 0.348 73 H C -1.058 174.210 175.328 -0.100 0.000 1.113 73 H CA -0.595 55.390 56.048 -0.105 0.000 1.195 73 H CB 2.083 31.770 29.762 -0.126 0.000 1.521 73 H HN 0.533 nan 8.280 nan 0.000 0.509 74 C N 3.148 122.460 119.300 0.019 0.000 2.455 74 C HA 0.361 4.821 4.460 -0.000 0.000 0.320 74 C C 0.164 175.174 174.990 0.033 0.000 1.226 74 C CA -0.670 58.341 59.018 -0.011 0.000 1.569 74 C CB 1.426 29.149 27.740 -0.028 0.000 2.200 74 C HN 0.516 nan 8.230 nan 0.000 0.491 75 V N 4.304 124.241 119.914 0.039 0.000 2.427 75 V HA 0.520 4.640 4.120 -0.000 0.000 0.286 75 V C 0.214 176.479 176.094 0.285 0.000 1.034 75 V CA -0.434 61.951 62.300 0.142 0.000 0.893 75 V CB 1.330 33.234 31.823 0.135 0.000 0.982 75 V HN 0.805 nan 8.190 nan 0.000 0.452 76 R N 3.513 124.184 120.500 0.285 0.000 2.393 76 R HA 0.757 5.097 4.340 -0.000 0.000 0.310 76 R C -0.271 176.236 176.300 0.346 0.000 0.968 76 R CA -0.343 55.938 56.100 0.302 0.000 0.867 76 R CB 1.514 31.911 30.300 0.161 0.000 1.124 76 R HN 0.820 nan 8.270 nan 0.000 0.450 77 A N 1.918 124.928 122.820 0.317 0.000 2.279 77 A HA 0.236 4.556 4.320 -0.000 0.000 0.303 77 A C 1.055 178.620 177.584 -0.031 0.000 1.108 77 A CA -0.183 51.911 52.037 0.095 0.000 0.830 77 A CB 1.031 20.024 19.000 -0.010 0.000 1.106 77 A HN 0.964 nan 8.150 nan 0.000 0.493 78 S N 0.213 115.795 115.700 -0.198 0.000 2.469 78 S HA -0.165 4.305 4.470 -0.000 0.000 0.238 78 S C 1.564 176.130 174.600 -0.056 0.000 0.998 78 S CA 1.613 59.734 58.200 -0.131 0.000 0.957 78 S CB -0.730 62.357 63.200 -0.189 0.000 0.764 78 S HN 1.386 nan 8.310 nan 0.000 0.514 79 S N 0.268 115.963 115.700 -0.007 0.000 2.522 79 S HA 0.416 4.886 4.470 -0.000 0.000 0.227 79 S C 1.708 176.302 174.600 -0.010 0.000 0.986 79 S CA 0.580 58.811 58.200 0.052 0.000 0.929 79 S CB -0.575 62.761 63.200 0.226 0.000 0.769 79 S HN 1.401 nan 8.310 nan 0.000 0.529 80 G N 0.329 109.132 108.800 0.005 0.000 2.232 80 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.226 80 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.226 80 G C -0.066 174.818 174.900 -0.026 0.000 0.996 80 G CA -0.035 45.036 45.100 -0.047 0.000 0.626 80 G HN 0.681 nan 8.290 nan 0.000 0.509 81 H N 1.218 120.369 119.070 0.135 0.000 2.771 81 H HA 0.640 5.196 4.556 -0.000 0.000 0.364 81 H C 0.689 176.234 175.328 0.361 0.000 1.133 81 H CA 0.788 56.978 56.048 0.236 0.000 1.423 81 H CB 0.662 30.615 29.762 0.319 0.000 1.425 81 H HN 0.380 nan 8.280 nan 0.000 0.606 82 K N 0.520 121.147 120.400 0.377 0.000 2.480 82 K HA 0.598 4.918 4.320 -0.000 0.000 0.258 82 K C -0.831 175.656 176.600 -0.187 0.000 0.990 82 K CA -0.957 55.445 56.287 0.190 0.000 0.857 82 K CB 2.734 35.285 32.500 0.085 0.000 1.384 82 K HN 0.543 nan 8.250 nan 0.000 0.446 83 T N 0.399 114.728 114.554 -0.374 0.000 2.853 83 T HA 0.151 4.501 4.350 -0.000 0.000 0.311 83 T C -2.050 172.465 174.700 -0.308 0.000 1.307 83 T CA -0.888 60.901 62.100 -0.518 0.000 1.019 83 T CB 1.073 69.310 68.868 -1.053 0.000 1.264 83 T HN 0.708 nan 8.240 nan 0.000 0.497 84 D N 3.160 123.406 120.400 -0.256 0.000 2.304 84 D HA 0.166 4.806 4.640 -0.000 0.000 0.250 84 D C 0.261 176.433 176.300 -0.214 0.000 1.107 84 D CA -0.524 53.368 54.000 -0.179 0.000 0.885 84 D CB 0.995 41.709 40.800 -0.144 0.000 1.192 84 D HN 0.547 nan 8.370 nan 0.000 0.436 85 L N 1.379 122.515 121.223 -0.145 0.000 2.534 85 L HA -0.001 4.339 4.340 -0.000 0.000 0.271 85 L C 0.298 177.059 176.870 -0.182 0.000 1.178 85 L CA 0.134 54.874 54.840 -0.165 0.000 0.907 85 L CB 0.302 42.299 42.059 -0.103 0.000 1.164 85 L HN 0.372 nan 8.230 nan 0.000 0.482 86 Q N 3.947 123.578 119.800 -0.283 0.000 2.204 86 Q HA 0.462 4.802 4.340 -0.000 0.000 0.254 86 Q C -0.586 175.399 176.000 -0.024 0.000 0.981 86 Q CA -0.896 54.779 55.803 -0.214 0.000 0.897 86 Q CB 2.379 30.862 28.738 -0.426 0.000 1.273 86 Q HN 0.599 nan 8.270 nan 0.000 0.464 87 I N 1.538 122.145 120.570 0.061 0.000 2.517 87 I HA 0.118 4.288 4.170 -0.000 0.000 0.285 87 I C 0.766 176.982 176.117 0.166 0.000 1.106 87 I CA 0.091 61.447 61.300 0.094 0.000 1.402 87 I CB 0.390 38.409 38.000 0.032 0.000 1.399 87 I HN 0.672 nan 8.210 nan 0.000 0.535 88 G N 3.750 112.620 108.800 0.117 0.000 2.940 88 G HA2 0.483 4.443 3.960 -0.000 0.000 0.164 88 G HA3 0.483 4.443 3.960 -0.000 0.000 0.164 88 G C 0.754 175.622 174.900 -0.053 0.000 1.326 88 G CA 0.093 45.228 45.100 0.059 0.000 1.020 88 G HN 0.649 nan 8.290 nan 0.000 0.586 89 A N -0.972 121.802 122.820 -0.076 0.000 2.238 89 A HA 0.305 4.625 4.320 -0.000 0.000 0.208 89 A C 2.174 179.687 177.584 -0.119 0.000 1.177 89 A CA 0.988 52.957 52.037 -0.113 0.000 0.804 89 A CB -0.395 18.543 19.000 -0.103 0.000 0.823 89 A HN 0.810 nan 8.150 nan 0.000 0.482 90 V N 1.391 121.242 119.914 -0.105 0.000 2.453 90 V HA -0.287 3.833 4.120 -0.000 0.000 0.252 90 V C 2.248 178.093 176.094 -0.415 0.000 1.068 90 V CA 2.398 64.625 62.300 -0.122 0.000 1.070 90 V CB -0.585 31.258 31.823 0.033 0.000 0.664 90 V HN 0.726 nan 8.190 nan 0.000 0.461 91 I N -1.764 118.400 120.570 -0.676 0.000 2.567 91 I HA -0.196 3.974 4.170 -0.000 0.000 0.257 91 I C 2.301 178.293 176.117 -0.207 0.000 1.184 91 I CA 1.661 62.393 61.300 -0.947 0.000 1.451 91 I CB -0.722 36.950 38.000 -0.545 0.000 1.089 91 I HN 0.205 nan 8.210 nan 0.000 0.441 92 R N 1.463 121.885 120.500 -0.130 0.000 2.317 92 R HA 0.119 4.459 4.340 -0.000 0.000 0.208 92 R C 0.700 177.008 176.300 0.013 0.000 0.914 92 R CA 0.480 56.547 56.100 -0.054 0.000 1.060 92 R CB 0.029 30.282 30.300 -0.079 0.000 1.015 92 R HN 0.559 nan 8.270 nan 0.000 0.498 93 T N -2.871 111.722 114.554 0.064 0.000 2.882 93 T HA 0.339 4.689 4.350 -0.000 0.000 0.287 93 T C 1.389 176.187 174.700 0.164 0.000 1.014 93 T CA -0.246 61.917 62.100 0.105 0.000 1.049 93 T CB 1.933 70.875 68.868 0.124 0.000 1.001 93 T HN 0.054 nan 8.240 nan 0.000 0.525 94 A N 1.699 124.586 122.820 0.111 0.000 1.969 94 A HA 0.238 4.558 4.320 -0.000 0.000 0.218 94 A C 2.602 180.262 177.584 0.128 0.000 1.169 94 A CA 1.506 53.603 52.037 0.100 0.000 0.635 94 A CB -1.417 17.614 19.000 0.052 0.000 0.810 94 A HN 1.217 nan 8.150 nan 0.000 0.445 95 A N -1.082 121.821 122.820 0.138 0.000 1.902 95 A HA -0.039 4.281 4.320 -0.000 0.000 0.217 95 A C 2.032 179.720 177.584 0.174 0.000 1.181 95 A CA 1.559 53.674 52.037 0.130 0.000 0.623 95 A CB -0.709 18.370 19.000 0.131 0.000 0.818 95 A HN 0.627 nan 8.150 nan 0.000 0.443 96 F N 0.936 120.957 119.950 0.119 0.000 2.102 96 F HA -0.185 4.342 4.527 -0.000 0.000 0.298 96 F C 1.944 177.908 175.800 0.274 0.000 1.105 96 F CA 2.158 60.270 58.000 0.187 0.000 1.239 96 F CB -0.290 38.798 39.000 0.147 0.000 0.991 96 F HN 0.277 nan 8.300 nan 0.000 0.474 97 D N 0.351 121.001 120.400 0.417 0.000 2.104 97 D HA -0.190 4.450 4.640 -0.000 0.000 0.194 97 D C 1.820 178.241 176.300 0.203 0.000 0.994 97 D CA 1.752 55.972 54.000 0.367 0.000 0.830 97 D CB -0.373 40.609 40.800 0.303 0.000 0.959 97 D HN 0.288 nan 8.370 nan 0.000 0.452 98 D N -0.326 120.137 120.400 0.105 0.000 2.144 98 D HA -0.142 4.498 4.640 -0.000 0.000 0.200 98 D C 1.925 178.211 176.300 -0.023 0.000 0.978 98 D CA 0.857 54.883 54.000 0.043 0.000 0.833 98 D CB -0.317 40.491 40.800 0.013 0.000 0.961 98 D HN 0.311 nan 8.370 nan 0.000 0.470 99 E N -0.076 120.033 120.200 -0.151 0.000 2.077 99 E HA -0.126 4.224 4.350 -0.000 0.000 0.193 99 E C 1.191 177.426 176.600 -0.608 0.000 0.989 99 E CA 1.129 57.260 56.400 -0.447 0.000 0.800 99 E CB -0.347 28.928 29.700 -0.709 0.000 0.746 99 E HN 0.330 nan 8.360 nan 0.000 0.452 100 F N -0.935 118.961 119.950 -0.091 0.000 2.695 100 F HA 0.188 4.715 4.527 -0.000 0.000 0.303 100 F C 0.088 176.060 175.800 0.285 0.000 1.091 100 F CA -0.653 57.370 58.000 0.039 0.000 1.300 100 F CB -0.049 38.824 39.000 -0.213 0.000 1.071 100 F HN -0.071 nan 8.300 nan 0.000 0.578 101 Y N 1.604 122.020 120.300 0.192 0.000 2.805 101 Y HA -0.059 4.491 4.550 -0.000 0.000 0.331 101 Y C -0.626 175.335 175.900 0.102 0.000 1.241 101 Y CA -0.740 57.389 58.100 0.049 0.000 1.546 101 Y CB -0.279 38.168 38.460 -0.021 0.000 1.248 101 Y HN 0.137 nan 8.280 nan 0.000 0.559 102 Y N 6.598 126.277 120.300 -1.035 0.000 2.328 102 Y HA 0.259 4.809 4.550 -0.000 0.000 0.337 102 Y C 0.227 175.532 175.900 -0.992 0.000 0.966 102 Y CA -1.420 56.245 58.100 -0.725 0.000 1.136 102 Y CB 1.284 39.538 38.460 -0.342 0.000 1.170 102 Y HN 0.755 nan 8.280 nan 0.000 0.470 103 D N 2.762 122.508 120.400 -1.090 0.000 2.350 103 D HA 0.163 4.803 4.640 -0.000 0.000 0.213 103 D C 0.988 176.843 176.300 -0.740 0.000 1.031 103 D CA 0.626 54.215 54.000 -0.685 0.000 0.861 103 D CB 0.191 40.881 40.800 -0.182 0.000 0.926 103 D HN 0.774 nan 8.370 nan 0.000 0.520 104 G N -0.046 107.833 108.800 -1.536 0.000 2.563 104 G HA2 0.309 4.269 3.960 -0.000 0.000 0.283 104 G HA3 0.309 4.269 3.960 -0.000 0.000 0.283 104 G C -0.373 174.283 174.900 -0.406 0.000 1.309 104 G CA -0.629 43.913 45.100 -0.931 0.000 1.022 104 G HN 0.331 nan 8.290 nan 0.000 0.501 105 E N -0.958 119.190 120.200 -0.087 0.000 2.301 105 E HA 0.518 4.868 4.350 -0.000 0.000 0.275 105 E C -0.673 175.919 176.600 -0.012 0.000 1.030 105 E CA -0.570 55.795 56.400 -0.058 0.000 0.852 105 E CB 1.452 31.126 29.700 -0.044 0.000 1.060 105 E HN 0.245 nan 8.360 nan 0.000 0.401 106 L N 1.976 123.023 121.223 -0.293 0.000 2.313 106 L HA 0.726 5.066 4.340 -0.000 0.000 0.268 106 L C 0.685 177.314 176.870 -0.402 0.000 1.010 106 L CA -0.219 54.396 54.840 -0.375 0.000 0.814 106 L CB 1.754 43.418 42.059 -0.659 0.000 1.304 106 L HN 1.029 nan 8.230 nan 0.000 0.441 107 G N 0.707 109.485 108.800 -0.038 0.000 2.472 107 G HA2 0.084 4.044 3.960 -0.000 0.000 0.205 107 G HA3 0.084 4.044 3.960 -0.000 0.000 0.205 107 G C -1.003 174.020 174.900 0.206 0.000 1.270 107 G CA -0.288 44.931 45.100 0.198 0.000 0.974 107 G HN 0.957 nan 8.290 nan 0.000 0.542 108 A N -0.538 122.337 122.820 0.092 0.000 2.253 108 A HA 0.684 5.004 4.320 -0.000 0.000 0.316 108 A C 0.079 177.537 177.584 -0.209 0.000 1.327 108 A CA -0.018 51.870 52.037 -0.248 0.000 0.917 108 A CB 0.999 19.703 19.000 -0.494 0.000 1.162 108 A HN 1.780 nan 8.150 nan 0.000 0.535 109 V N 4.137 123.915 119.914 -0.228 0.000 2.334 109 V HA 0.174 4.294 4.120 -0.000 0.000 0.267 109 V C -0.357 175.649 176.094 -0.146 0.000 1.040 109 V CA -0.320 61.907 62.300 -0.122 0.000 0.866 109 V CB -0.081 31.694 31.823 -0.080 0.000 1.019 109 V HN 0.778 nan 8.190 nan 0.000 0.468 110 Y N 4.904 125.079 120.300 -0.209 0.000 2.334 110 Y HA 0.686 5.236 4.550 -0.000 0.000 0.328 110 Y C 0.506 176.289 175.900 -0.196 0.000 1.130 110 Y CA -0.122 57.852 58.100 -0.211 0.000 1.163 110 Y CB 1.689 40.064 38.460 -0.142 0.000 1.207 110 Y HN 0.740 nan 8.280 nan 0.000 0.471 111 T N 1.473 115.344 114.554 -1.138 0.000 2.900 111 T HA 0.591 4.941 4.350 -0.000 0.000 0.303 111 T C 0.427 174.329 174.700 -1.329 0.000 1.142 111 T CA -0.398 61.129 62.100 -0.955 0.000 1.007 111 T CB 1.292 69.709 68.868 -0.752 0.000 1.156 111 T HN 0.811 nan 8.240 nan 0.000 0.490 112 A N 0.893 123.273 122.820 -0.733 0.000 1.978 112 A HA -0.059 4.261 4.320 -0.000 0.000 0.220 112 A C 1.910 179.309 177.584 -0.307 0.000 1.170 112 A CA 2.178 53.975 52.037 -0.400 0.000 0.636 112 A CB -1.029 17.899 19.000 -0.121 0.000 0.810 112 A HN 0.935 nan 8.150 nan 0.000 0.448 113 D N -1.227 118.983 120.400 -0.318 0.000 2.162 113 D HA -0.039 4.601 4.640 -0.000 0.000 0.203 113 D C 0.739 176.987 176.300 -0.087 0.000 0.967 113 D CA 1.418 55.332 54.000 -0.143 0.000 0.840 113 D CB 0.070 40.853 40.800 -0.028 0.000 0.972 113 D HN 0.753 nan 8.370 nan 0.000 0.482 114 H N -4.109 114.817 119.070 -0.240 0.000 2.917 114 H HA 0.434 4.990 4.556 -0.000 0.000 0.299 114 H C -1.354 173.818 175.328 -0.260 0.000 1.418 114 H CA -0.757 55.175 56.048 -0.193 0.000 1.138 114 H CB 0.497 30.178 29.762 -0.134 0.000 1.830 114 H HN -0.215 nan 8.280 nan 0.000 0.514 115 T N 1.553 116.059 114.554 -0.080 0.000 2.881 115 T HA 0.410 4.760 4.350 -0.000 0.000 0.290 115 T C -0.536 174.047 174.700 -0.194 0.000 1.000 115 T CA -0.596 61.360 62.100 -0.240 0.000 0.978 115 T CB 1.852 70.519 68.868 -0.336 0.000 0.997 115 T HN 0.419 nan 8.240 nan 0.000 0.443 116 V N 4.154 123.931 119.914 -0.228 0.000 2.394 116 V HA 0.530 4.650 4.120 -0.000 0.000 0.282 116 V C -0.835 175.113 176.094 -0.244 0.000 1.031 116 V CA -0.711 61.526 62.300 -0.105 0.000 0.881 116 V CB 0.553 32.375 31.823 -0.001 0.000 0.982 116 V HN 0.769 nan 8.190 nan 0.000 0.451 117 F N 3.895 123.914 119.950 0.116 0.000 2.436 117 F HA 0.644 5.171 4.527 -0.000 0.000 0.340 117 F C 0.436 176.310 175.800 0.123 0.000 1.113 117 F CA -0.548 57.574 58.000 0.203 0.000 1.022 117 F CB 1.559 40.776 39.000 0.363 0.000 1.128 117 F HN 0.279 nan 8.300 nan 0.000 0.466 118 K N 2.496 123.055 120.400 0.265 0.000 2.468 118 K HA 0.741 5.061 4.320 -0.000 0.000 0.252 118 K C -1.716 174.889 176.600 0.009 0.000 0.932 118 K CA -0.975 55.352 56.287 0.066 0.000 0.794 118 K CB 3.208 35.719 32.500 0.017 0.000 1.241 118 K HN 0.426 nan 8.250 nan 0.000 0.428 119 V N 2.662 122.512 119.914 -0.108 0.000 2.888 119 V HA 0.470 4.590 4.120 -0.000 0.000 0.309 119 V C -1.935 174.222 176.094 0.106 0.000 1.114 119 V CA -0.700 61.573 62.300 -0.045 0.000 0.940 119 V CB 1.584 33.146 31.823 -0.435 0.000 1.021 119 V HN 0.864 nan 8.190 nan 0.000 0.426 120 W N 6.793 128.113 121.300 0.033 0.000 2.357 120 W HA 0.717 5.377 4.660 -0.000 0.000 0.317 120 W C 0.093 176.648 176.519 0.059 0.000 1.101 120 W CA -0.160 57.197 57.345 0.020 0.000 1.380 120 W CB 1.051 30.562 29.460 0.084 0.000 1.266 120 W HN 0.801 nan 8.180 nan 0.000 0.419 121 A N 9.378 132.058 122.820 -0.233 0.000 3.355 121 A HA 0.295 4.615 4.320 -0.000 0.000 0.290 121 A C -1.483 175.859 177.584 -0.403 0.000 0.973 121 A CA -0.863 51.004 52.037 -0.283 0.000 0.933 121 A CB 0.378 19.294 19.000 -0.140 0.000 1.138 121 A HN 0.471 nan 8.150 nan 0.000 0.490 122 P HA -0.191 nan 4.420 nan 0.000 0.218 122 P C 1.208 178.117 177.300 -0.650 0.000 1.148 122 P CA 1.927 64.378 63.100 -1.082 0.000 0.822 122 P CB 0.280 30.856 31.700 -1.874 0.000 0.784 123 A N -0.856 121.731 122.820 -0.390 0.000 2.251 123 A HA 0.447 4.767 4.320 -0.000 0.000 0.209 123 A C 1.375 178.939 177.584 -0.033 0.000 1.187 123 A CA 0.262 52.228 52.037 -0.118 0.000 0.823 123 A CB -0.683 18.226 19.000 -0.151 0.000 0.846 123 A HN 0.307 nan 8.150 nan 0.000 0.486 124 A N -0.513 122.246 122.820 -0.101 0.000 2.287 124 A HA 0.505 4.825 4.320 -0.000 0.000 0.273 124 A C 1.228 178.781 177.584 -0.052 0.000 1.091 124 A CA 0.500 52.449 52.037 -0.146 0.000 0.817 124 A CB 0.203 19.015 19.000 -0.314 0.000 1.069 124 A HN 0.647 nan 8.150 nan 0.000 0.492 125 T N -2.670 111.794 114.554 -0.151 0.000 3.044 125 T HA 0.469 4.819 4.350 -0.000 0.000 0.260 125 T C 0.320 174.968 174.700 -0.087 0.000 1.019 125 T CA 0.504 62.571 62.100 -0.056 0.000 0.921 125 T CB -0.157 68.659 68.868 -0.087 0.000 1.053 125 T HN 1.164 nan 8.240 nan 0.000 0.533 126 S N -0.574 114.921 115.700 -0.342 0.000 2.597 126 S HA 0.684 5.154 4.470 -0.000 0.000 0.274 126 S C -2.032 172.205 174.600 -0.605 0.000 1.132 126 S CA -0.102 57.899 58.200 -0.331 0.000 0.835 126 S CB 1.050 64.186 63.200 -0.107 0.000 1.092 126 S HN 1.065 nan 8.310 nan 0.000 0.457 127 A N 1.138 123.770 122.820 -0.313 0.000 2.612 127 A HA 1.023 5.343 4.320 -0.000 0.000 0.293 127 A C -0.844 176.833 177.584 0.156 0.000 1.075 127 A CA -0.067 51.884 52.037 -0.143 0.000 0.680 127 A CB 0.996 19.652 19.000 -0.573 0.000 1.279 127 A HN 2.051 nan 8.150 nan 0.000 0.411 128 A N -0.480 122.464 122.820 0.206 0.000 2.610 128 A HA 0.785 5.105 4.320 -0.000 0.000 0.291 128 A C -1.553 176.148 177.584 0.194 0.000 1.086 128 A CA -0.077 52.059 52.037 0.164 0.000 0.677 128 A CB 1.135 20.181 19.000 0.076 0.000 1.278 128 A HN 2.204 nan 8.150 nan 0.000 0.414 129 V N 0.982 120.989 119.914 0.155 0.000 2.417 129 V HA 0.655 4.775 4.120 -0.000 0.000 0.291 129 V C -0.280 175.798 176.094 -0.026 0.000 1.024 129 V CA -0.557 61.825 62.300 0.135 0.000 0.861 129 V CB 1.347 33.134 31.823 -0.061 0.000 0.985 129 V HN 0.873 nan 8.190 nan 0.000 0.436 130 K N 7.114 127.499 120.400 -0.026 0.000 2.316 130 K HA 0.584 4.904 4.320 -0.000 0.000 0.267 130 K C -1.341 175.232 176.600 -0.046 0.000 1.025 130 K CA -0.574 55.667 56.287 -0.076 0.000 0.896 130 K CB 0.927 33.393 32.500 -0.057 0.000 1.124 130 K HN 0.744 nan 8.250 nan 0.000 0.451 131 L N 3.299 124.493 121.223 -0.049 0.000 2.309 131 L HA 0.471 4.811 4.340 -0.000 0.000 0.282 131 L C -0.239 176.709 176.870 0.130 0.000 1.036 131 L CA -0.655 54.244 54.840 0.098 0.000 0.806 131 L CB 1.809 43.951 42.059 0.138 0.000 1.220 131 L HN 0.749 nan 8.230 nan 0.000 0.429 132 S N 0.279 116.083 115.700 0.173 0.000 2.564 132 S HA 0.682 5.152 4.470 -0.000 0.000 0.274 132 S C -1.275 173.340 174.600 0.026 0.000 1.124 132 S CA -0.907 57.343 58.200 0.084 0.000 0.869 132 S CB 2.158 65.366 63.200 0.014 0.000 1.105 132 S HN 0.720 nan 8.310 nan 0.000 0.472 133 H N 0.885 119.847 119.070 -0.180 0.000 2.865 133 H HA 0.502 5.058 4.556 -0.000 0.000 0.362 133 H C -2.090 173.129 175.328 -0.180 0.000 1.114 133 H CA -1.546 54.312 56.048 -0.316 0.000 1.208 133 H CB 2.117 31.488 29.762 -0.651 0.000 1.727 133 H HN 0.446 nan 8.280 nan 0.000 0.534 134 P HA -0.214 nan 4.420 nan 0.000 0.217 134 P C 0.061 177.346 177.300 -0.026 0.000 1.151 134 P CA 1.697 64.693 63.100 -0.173 0.000 0.849 134 P CB 0.450 32.004 31.700 -0.242 0.000 0.787 135 N N -2.371 116.399 118.700 0.117 0.000 2.145 135 N HA 0.094 4.834 4.740 -0.000 0.000 0.219 135 N C 0.483 176.038 175.510 0.075 0.000 1.266 135 N CA -0.181 52.925 53.050 0.093 0.000 0.902 135 N CB 0.661 39.197 38.487 0.082 0.000 1.078 135 N HN 0.169 nan 8.380 nan 0.000 0.513 136 K N 1.075 121.527 120.400 0.087 0.000 2.148 136 K HA 0.412 4.732 4.320 -0.000 0.000 0.239 136 K C -0.037 176.575 176.600 0.020 0.000 1.018 136 K CA -0.512 55.755 56.287 -0.033 0.000 0.923 136 K CB 1.096 33.432 32.500 -0.273 0.000 1.117 136 K HN -0.132 nan 8.250 nan 0.000 0.477 137 S N 0.185 115.910 115.700 0.041 0.000 2.584 137 S HA 0.251 4.721 4.470 -0.000 0.000 0.273 137 S C 0.176 174.823 174.600 0.077 0.000 1.311 137 S CA -0.860 57.370 58.200 0.049 0.000 1.034 137 S CB 1.222 64.450 63.200 0.046 0.000 0.939 137 S HN 0.665 nan 8.310 nan 0.000 0.513 138 G N 1.873 110.693 108.800 0.034 0.000 2.476 138 G HA2 0.581 4.541 3.960 -0.000 0.000 0.269 138 G HA3 0.581 4.541 3.960 -0.000 0.000 0.269 138 G C -0.588 174.282 174.900 -0.050 0.000 1.195 138 G CA -0.631 44.479 45.100 0.018 0.000 0.843 138 G HN 0.494 nan 8.290 nan 0.000 0.545 139 R N 0.085 120.504 120.500 -0.135 0.000 2.566 139 R HA 0.461 4.801 4.340 -0.000 0.000 0.271 139 R C -1.408 174.561 176.300 -0.551 0.000 1.071 139 R CA -0.676 55.190 56.100 -0.389 0.000 0.915 139 R CB 1.791 31.784 30.300 -0.512 0.000 1.228 139 R HN 0.513 nan 8.270 nan 0.000 0.449 140 T N 3.111 117.293 114.554 -0.620 0.000 2.840 140 T HA 0.583 4.933 4.350 -0.000 0.000 0.287 140 T C -0.634 173.780 174.700 -0.476 0.000 0.991 140 T CA -0.354 61.471 62.100 -0.459 0.000 0.964 140 T CB 0.539 69.257 68.868 -0.251 0.000 0.954 140 T HN 0.263 nan 8.240 nan 0.000 0.438 141 F N 1.791 121.729 119.950 -0.020 0.000 2.469 141 F HA 0.463 4.990 4.527 -0.000 0.000 0.332 141 F C 0.810 176.621 175.800 0.019 0.000 1.103 141 F CA -1.265 56.735 58.000 -0.000 0.000 0.979 141 F CB 1.584 40.592 39.000 0.013 0.000 1.137 141 F HN 0.348 nan 8.300 nan 0.000 0.463 142 Q N 3.288 123.231 119.800 0.238 0.000 2.373 142 Q HA 0.351 4.691 4.340 -0.000 0.000 0.255 142 Q C -0.874 175.238 176.000 0.186 0.000 0.980 142 Q CA -0.213 55.695 55.803 0.176 0.000 0.882 142 Q CB 0.958 29.785 28.738 0.148 0.000 1.249 142 Q HN 0.663 nan 8.270 nan 0.000 0.438 143 M N 1.378 121.093 119.600 0.192 0.000 2.598 143 M HA 0.353 4.833 4.480 -0.000 0.000 0.317 143 M C -0.453 175.990 176.300 0.238 0.000 1.201 143 M CA -0.595 54.827 55.300 0.202 0.000 0.971 143 M CB 2.104 34.826 32.600 0.203 0.000 1.657 143 M HN 0.512 nan 8.290 nan 0.000 0.470 144 T N 1.294 115.944 114.554 0.160 0.000 2.829 144 T HA 0.354 4.704 4.350 -0.000 0.000 0.282 144 T C -0.280 174.387 174.700 -0.055 0.000 0.990 144 T CA -0.694 61.456 62.100 0.084 0.000 1.028 144 T CB 1.034 69.916 68.868 0.023 0.000 0.951 144 T HN 0.507 nan 8.240 nan 0.000 0.460 145 R N 3.521 123.891 120.500 -0.216 0.000 2.267 145 R HA 0.409 4.748 4.340 -0.000 0.000 0.319 145 R C -0.330 175.769 176.300 -0.335 0.000 1.067 145 R CA -0.216 55.492 56.100 -0.653 0.000 0.936 145 R CB 0.120 29.993 30.300 -0.711 0.000 1.006 145 R HN 0.588 nan 8.270 nan 0.000 0.452 146 L N 1.840 122.868 121.223 -0.324 0.000 2.805 146 L HA 0.390 4.730 4.340 -0.000 0.000 0.242 146 L C 0.606 177.387 176.870 -0.147 0.000 1.180 146 L CA -1.096 53.637 54.840 -0.178 0.000 1.001 146 L CB 0.335 42.304 42.059 -0.150 0.000 1.864 146 L HN 0.535 nan 8.230 nan 0.000 0.551 147 E N 0.442 120.599 120.200 -0.072 0.000 2.371 147 E HA 0.072 4.422 4.350 -0.000 0.000 0.257 147 E C -0.341 176.268 176.600 0.015 0.000 1.134 147 E CA -0.274 56.120 56.400 -0.011 0.000 0.919 147 E CB 0.446 30.158 29.700 0.021 0.000 1.025 147 E HN 0.328 nan 8.360 nan 0.000 0.438 148 K N -0.162 120.306 120.400 0.112 0.000 3.160 148 K HA -0.202 4.118 4.320 -0.000 0.000 0.280 148 K C 0.735 177.524 176.600 0.315 0.000 1.154 148 K CA 0.943 57.385 56.287 0.258 0.000 0.822 148 K CB -2.302 30.360 32.500 0.271 0.000 1.239 148 K HN 1.018 nan 8.250 nan 0.000 0.489 149 G N -0.960 107.921 108.800 0.135 0.000 2.187 149 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.261 149 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.261 149 G C 0.204 174.925 174.900 -0.299 0.000 1.000 149 G CA 0.360 45.304 45.100 -0.260 0.000 0.718 149 G HN 0.282 nan 8.290 nan 0.000 0.519 150 V N 0.289 120.055 119.914 -0.247 0.000 2.465 150 V HA 0.563 4.683 4.120 -0.000 0.000 0.279 150 V C 0.129 176.015 176.094 -0.346 0.000 1.045 150 V CA -0.742 61.400 62.300 -0.263 0.000 0.938 150 V CB 1.071 32.582 31.823 -0.519 0.000 0.986 150 V HN 0.233 nan 8.190 nan 0.000 0.467 151 Y N 2.673 122.872 120.300 -0.168 0.000 2.387 151 Y HA 0.745 5.295 4.550 -0.000 0.000 0.336 151 Y C 0.404 176.238 175.900 -0.110 0.000 1.067 151 Y CA -0.191 57.834 58.100 -0.126 0.000 1.114 151 Y CB 1.962 40.343 38.460 -0.132 0.000 1.208 151 Y HN 0.768 nan 8.280 nan 0.000 0.458 152 A N 1.927 124.785 122.820 0.064 0.000 2.594 152 A HA 0.868 5.188 4.320 -0.000 0.000 0.291 152 A C -1.887 175.764 177.584 0.112 0.000 1.105 152 A CA -0.755 51.327 52.037 0.075 0.000 0.694 152 A CB 1.939 20.950 19.000 0.019 0.000 1.291 152 A HN 0.639 nan 8.150 nan 0.000 0.410 153 V N 0.186 120.197 119.914 0.161 0.000 2.950 153 V HA 0.640 4.760 4.120 -0.000 0.000 0.295 153 V C -1.136 175.067 176.094 0.181 0.000 1.297 153 V CA -0.138 62.251 62.300 0.149 0.000 0.962 153 V CB 2.428 34.358 31.823 0.178 0.000 1.081 153 V HN 1.135 nan 8.190 nan 0.000 0.432 154 T N 5.546 120.144 114.554 0.073 0.000 2.758 154 T HA 0.618 4.968 4.350 -0.000 0.000 0.285 154 T C -0.586 174.120 174.700 0.011 0.000 0.981 154 T CA -0.321 61.807 62.100 0.047 0.000 0.965 154 T CB 1.373 70.201 68.868 -0.067 0.000 0.927 154 T HN 0.556 nan 8.240 nan 0.000 0.448 155 V N 4.117 124.089 119.914 0.097 0.000 2.370 155 V HA 0.325 4.445 4.120 -0.000 0.000 0.283 155 V C 0.698 176.814 176.094 0.037 0.000 1.023 155 V CA -0.784 61.540 62.300 0.040 0.000 0.857 155 V CB 1.497 33.456 31.823 0.226 0.000 0.985 155 V HN 0.933 nan 8.190 nan 0.000 0.443 156 T N 4.120 118.654 114.554 -0.034 0.000 2.919 156 T HA 0.588 4.938 4.350 -0.000 0.000 0.302 156 T C 0.504 175.206 174.700 0.003 0.000 1.031 156 T CA 0.933 63.030 62.100 -0.005 0.000 1.127 156 T CB 0.978 69.819 68.868 -0.045 0.000 0.952 156 T HN 1.479 nan 8.240 nan 0.000 0.540 157 G N 2.066 110.873 108.800 0.012 0.000 2.479 157 G HA2 0.058 4.018 3.960 -0.000 0.000 0.686 157 G HA3 0.058 4.018 3.960 -0.000 0.000 0.686 157 G C -1.359 173.541 174.900 0.000 0.000 1.295 157 G CA -0.905 44.197 45.100 0.003 0.000 0.922 157 G HN 0.760 nan 8.290 nan 0.000 0.582 158 D N 0.253 120.679 120.400 0.043 0.000 2.396 158 D HA 0.454 5.094 4.640 -0.000 0.000 0.225 158 D C 1.550 177.974 176.300 0.206 0.000 1.121 158 D CA -0.528 53.552 54.000 0.134 0.000 0.853 158 D CB 0.498 41.397 40.800 0.165 0.000 1.043 158 D HN 0.373 nan 8.370 nan 0.000 0.500 159 L N 3.367 124.742 121.223 0.254 0.000 2.627 159 L HA 0.063 4.403 4.340 -0.000 0.000 0.232 159 L C 1.167 178.288 176.870 0.417 0.000 1.150 159 L CA -0.229 54.724 54.840 0.189 0.000 0.917 159 L CB -0.524 41.591 42.059 0.093 0.000 1.104 159 L HN 0.508 nan 8.230 nan 0.000 0.445 160 H N 1.158 120.418 119.070 0.317 0.000 3.070 160 H HA 0.033 4.589 4.556 -0.000 0.000 0.313 160 H C 1.106 176.586 175.328 0.253 0.000 0.997 160 H CA 1.469 57.584 56.048 0.112 0.000 1.438 160 H CB 0.912 30.686 29.762 0.020 0.000 1.455 160 H HN 0.394 nan 8.280 nan 0.000 0.575 161 G N 4.286 112.829 108.800 -0.428 0.000 2.217 161 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.246 161 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.246 161 G C -0.221 174.689 174.900 0.018 0.000 0.990 161 G CA 0.133 45.097 45.100 -0.227 0.000 0.627 161 G HN 0.639 nan 8.290 nan 0.000 0.522 162 Y N 2.426 122.802 120.300 0.128 0.000 2.425 162 Y HA 0.452 5.002 4.550 -0.000 0.000 0.331 162 Y C 1.154 177.137 175.900 0.138 0.000 1.157 162 Y CA 0.109 58.335 58.100 0.210 0.000 1.372 162 Y CB 0.534 39.130 38.460 0.226 0.000 1.253 162 Y HN 0.309 nan 8.280 nan 0.000 0.536 163 E N 3.704 124.023 120.200 0.198 0.000 2.313 163 E HA 0.324 4.674 4.350 -0.000 0.000 0.272 163 E C -1.377 175.384 176.600 0.270 0.000 1.038 163 E CA -0.632 55.863 56.400 0.159 0.000 0.863 163 E CB 1.092 30.799 29.700 0.011 0.000 1.060 163 E HN 0.589 nan 8.360 nan 0.000 0.402 164 Y N -0.214 120.070 120.300 -0.027 0.000 2.562 164 Y HA 0.727 5.277 4.550 -0.000 0.000 0.345 164 Y C -1.649 174.129 175.900 -0.203 0.000 1.045 164 Y CA -1.284 56.748 58.100 -0.112 0.000 1.028 164 Y CB 1.309 39.689 38.460 -0.134 0.000 1.297 164 Y HN 0.333 nan 8.280 nan 0.000 0.463 165 L N 2.920 123.998 121.223 -0.242 0.000 2.415 165 L HA 0.559 4.899 4.340 -0.000 0.000 0.256 165 L C -1.372 175.414 176.870 -0.139 0.000 1.010 165 L CA -0.805 53.854 54.840 -0.302 0.000 0.826 165 L CB 3.015 44.999 42.059 -0.126 0.000 1.405 165 L HN 0.729 nan 8.230 nan 0.000 0.410 166 F N -0.013 119.949 119.950 0.020 0.000 2.450 166 F HA 0.461 4.988 4.527 -0.000 0.000 0.332 166 F C -0.185 175.666 175.800 0.086 0.000 1.093 166 F CA -0.818 57.226 58.000 0.074 0.000 1.003 166 F CB 1.864 40.935 39.000 0.118 0.000 1.151 166 F HN 0.288 nan 8.300 nan 0.000 0.474 167 C N 4.910 124.414 119.300 0.340 0.000 2.298 167 C HA 0.580 5.040 4.460 -0.000 0.000 0.323 167 C C -0.396 174.824 174.990 0.384 0.000 1.284 167 C CA -0.798 58.427 59.018 0.345 0.000 1.577 167 C CB -0.102 27.795 27.740 0.263 0.000 2.249 167 C HN 0.361 nan 8.230 nan 0.000 0.497 168 I N 2.650 123.370 120.570 0.250 0.000 2.406 168 I HA 0.250 4.420 4.170 -0.000 0.000 0.290 168 I C 0.120 176.070 176.117 -0.279 0.000 0.999 168 I CA -0.544 60.730 61.300 -0.044 0.000 1.124 168 I CB 1.308 39.288 38.000 -0.034 0.000 1.289 168 I HN 0.645 nan 8.210 nan 0.000 0.441 169 C N 7.746 126.596 119.300 -0.751 0.000 2.200 169 C HA 0.454 4.914 4.460 -0.000 0.000 0.328 169 C C -0.081 174.592 174.990 -0.529 0.000 1.148 169 C CA -0.305 58.109 59.018 -1.006 0.000 1.624 169 C CB -1.466 25.226 27.740 -1.746 0.000 2.167 169 C HN 0.669 nan 8.230 nan 0.000 0.484 170 N N 3.543 122.046 118.700 -0.330 0.000 2.321 170 N HA 0.319 5.059 4.740 -0.000 0.000 0.299 170 N C -0.115 175.304 175.510 -0.151 0.000 1.048 170 N CA -0.193 52.743 53.050 -0.189 0.000 0.836 170 N CB 1.204 39.630 38.487 -0.102 0.000 1.269 170 N HN 0.801 nan 8.380 nan 0.000 0.486 171 N N 0.379 119.008 118.700 -0.117 0.000 2.725 171 N HA -0.235 4.505 4.740 -0.000 0.000 0.249 171 N C -0.534 174.905 175.510 -0.118 0.000 1.103 171 N CA 0.734 53.726 53.050 -0.097 0.000 0.707 171 N CB -0.729 37.727 38.487 -0.052 0.000 1.043 171 N HN 0.604 nan 8.380 nan 0.000 0.553 172 S N -1.692 113.908 115.700 -0.166 0.000 3.261 172 S HA -0.286 4.184 4.470 -0.000 0.000 0.287 172 S C 0.068 174.583 174.600 -0.142 0.000 1.281 172 S CA 1.699 59.802 58.200 -0.162 0.000 1.053 172 S CB -0.751 62.392 63.200 -0.096 0.000 1.251 172 S HN 0.773 nan 8.310 nan 0.000 0.659 173 E N -0.520 119.584 120.200 -0.159 0.000 2.176 173 E HA 0.438 4.788 4.350 -0.000 0.000 0.267 173 E C -0.801 175.731 176.600 -0.113 0.000 0.893 173 E CA -0.794 55.569 56.400 -0.062 0.000 0.761 173 E CB 0.878 30.573 29.700 -0.008 0.000 1.133 173 E HN 0.344 nan 8.360 nan 0.000 0.409 174 W N 4.794 126.090 121.300 -0.007 0.000 2.316 174 W HA 0.359 5.019 4.660 -0.000 0.000 0.311 174 W C 0.087 176.611 176.519 0.007 0.000 1.217 174 W CA -0.381 56.960 57.345 -0.007 0.000 1.199 174 W CB 0.983 30.436 29.460 -0.010 0.000 1.202 174 W HN 0.303 nan 8.180 nan 0.000 0.528 175 M N 2.344 122.087 119.600 0.239 0.000 2.326 175 M HA 0.198 4.678 4.480 -0.000 0.000 0.306 175 M C -0.477 175.935 176.300 0.187 0.000 1.054 175 M CA -0.776 54.628 55.300 0.173 0.000 0.922 175 M CB 2.221 34.891 32.600 0.116 0.000 1.632 175 M HN 0.391 nan 8.290 nan 0.000 0.436 176 E N 1.426 121.713 120.200 0.145 0.000 2.259 176 E HA 0.431 4.781 4.350 -0.000 0.000 0.281 176 E C -1.093 175.571 176.600 0.107 0.000 1.027 176 E CA 0.031 56.502 56.400 0.119 0.000 0.838 176 E CB 1.336 31.079 29.700 0.072 0.000 1.066 176 E HN 0.600 nan 8.360 nan 0.000 0.401 177 T N 2.165 116.784 114.554 0.109 0.000 2.889 177 T HA 0.285 4.635 4.350 -0.000 0.000 0.315 177 T C -1.143 173.567 174.700 0.016 0.000 1.291 177 T CA -0.652 61.505 62.100 0.096 0.000 1.028 177 T CB 1.205 70.169 68.868 0.159 0.000 1.235 177 T HN 0.198 nan 8.240 nan 0.000 0.491 178 V N 3.332 123.237 119.914 -0.015 0.000 2.881 178 V HA 0.270 4.390 4.120 -0.000 0.000 0.303 178 V C 0.578 176.607 176.094 -0.110 0.000 1.070 178 V CA -0.333 61.864 62.300 -0.172 0.000 1.074 178 V CB 1.273 33.019 31.823 -0.129 0.000 1.012 178 V HN 0.952 nan 8.190 nan 0.000 0.482 179 D N 2.583 122.790 120.400 -0.322 0.000 2.425 179 D HA 0.030 4.670 4.640 -0.000 0.000 0.247 179 D C 1.053 177.449 176.300 0.159 0.000 1.147 179 D CA 0.370 54.356 54.000 -0.023 0.000 0.879 179 D CB 1.130 41.839 40.800 -0.152 0.000 1.179 179 D HN 0.566 nan 8.370 nan 0.000 0.456 180 Q N 2.439 122.426 119.800 0.313 0.000 2.226 180 Q HA -0.186 4.154 4.340 -0.000 0.000 0.204 180 Q C 0.614 176.750 176.000 0.226 0.000 0.975 180 Q CA 1.163 57.120 55.803 0.257 0.000 0.866 180 Q CB -0.055 28.838 28.738 0.258 0.000 0.915 180 Q HN 0.663 nan 8.270 nan 0.000 0.440 181 Y N -0.229 120.116 120.300 0.076 0.000 2.571 181 Y HA 0.343 4.893 4.550 -0.000 0.000 0.275 181 Y C 0.391 176.158 175.900 -0.221 0.000 1.179 181 Y CA -0.749 57.105 58.100 -0.409 0.000 1.242 181 Y CB 0.382 38.597 38.460 -0.408 0.000 1.126 181 Y HN -0.040 nan 8.280 nan 0.000 0.524 182 A N 0.841 123.717 122.820 0.094 0.000 2.545 182 A HA 0.046 4.366 4.320 -0.000 0.000 0.253 182 A C 0.990 178.636 177.584 0.104 0.000 1.074 182 A CA 0.043 52.127 52.037 0.077 0.000 0.760 182 A CB 0.175 19.096 19.000 -0.131 0.000 1.005 182 A HN 0.557 nan 8.150 nan 0.000 0.506 183 K N 1.159 121.619 120.400 0.101 0.000 2.374 183 K HA 0.394 4.714 4.320 -0.000 0.000 0.196 183 K C 0.158 176.847 176.600 0.147 0.000 1.023 183 K CA 0.814 57.171 56.287 0.117 0.000 1.103 183 K CB 0.407 32.935 32.500 0.047 0.000 0.848 183 K HN 0.793 nan 8.250 nan 0.000 0.528 184 A N 0.701 123.582 122.820 0.101 0.000 2.589 184 A HA 0.584 4.904 4.320 -0.000 0.000 0.296 184 A C -1.110 176.471 177.584 -0.005 0.000 1.062 184 A CA -0.800 51.277 52.037 0.067 0.000 0.686 184 A CB 1.330 20.366 19.000 0.060 0.000 1.282 184 A HN -0.032 nan 8.150 nan 0.000 0.404 185 V N -1.183 118.708 119.914 -0.038 0.000 3.159 185 V HA 0.937 5.057 4.120 -0.000 0.000 0.308 185 V C 0.167 176.218 176.094 -0.073 0.000 1.190 185 V CA -0.122 62.111 62.300 -0.112 0.000 1.037 185 V CB 1.161 32.864 31.823 -0.200 0.000 1.060 185 V HN 1.640 nan 8.190 nan 0.000 0.437 186 T N -0.704 113.800 114.554 -0.084 0.000 2.732 186 T HA 0.513 4.863 4.350 -0.000 0.000 0.287 186 T C 0.506 175.169 174.700 -0.061 0.000 0.993 186 T CA 0.097 62.161 62.100 -0.061 0.000 0.966 186 T CB 1.397 70.231 68.868 -0.057 0.000 1.047 186 T HN 1.627 nan 8.240 nan 0.000 0.527 187 V N 2.419 122.301 119.914 -0.054 0.000 2.644 187 V HA 0.055 4.175 4.120 -0.000 0.000 0.305 187 V C 0.470 176.519 176.094 -0.074 0.000 1.053 187 V CA 0.577 62.820 62.300 -0.095 0.000 1.186 187 V CB -1.032 30.738 31.823 -0.088 0.000 0.895 187 V HN 1.032 nan 8.190 nan 0.000 0.490 188 N N 4.149 122.786 118.700 -0.104 0.000 2.747 188 N HA -0.188 4.552 4.740 -0.000 0.000 0.249 188 N C 0.927 176.423 175.510 -0.023 0.000 1.107 188 N CA 1.527 54.526 53.050 -0.085 0.000 0.707 188 N CB -1.492 36.957 38.487 -0.063 0.000 1.054 188 N HN 1.746 nan 8.380 nan 0.000 0.555 189 G N -0.087 108.715 108.800 0.002 0.000 2.361 189 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.294 189 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.294 189 G C 0.971 175.936 174.900 0.109 0.000 1.004 189 G CA 1.083 46.249 45.100 0.110 0.000 0.870 189 G HN 0.711 nan 8.290 nan 0.000 0.510 190 E N -0.619 119.587 120.200 0.010 0.000 2.107 190 E HA 0.006 4.356 4.350 -0.000 0.000 0.191 190 E C 1.143 177.710 176.600 -0.055 0.000 0.982 190 E CA 0.907 57.307 56.400 -0.001 0.000 0.809 190 E CB 0.155 29.848 29.700 -0.011 0.000 0.756 190 E HN 0.601 nan 8.360 nan 0.000 0.459 191 K N -0.128 120.204 120.400 -0.113 0.000 2.477 191 K HA 0.420 4.740 4.320 -0.000 0.000 0.255 191 K C -0.344 176.099 176.600 -0.262 0.000 0.952 191 K CA -0.633 55.547 56.287 -0.179 0.000 0.826 191 K CB 2.204 34.630 32.500 -0.123 0.000 1.331 191 K HN -0.001 nan 8.250 nan 0.000 0.437 192 G N 0.373 108.921 108.800 -0.421 0.000 2.572 192 G HA2 0.489 4.449 3.960 -0.000 0.000 0.261 192 G HA3 0.489 4.449 3.960 -0.000 0.000 0.261 192 G C -0.868 173.974 174.900 -0.096 0.000 1.197 192 G CA -0.349 44.476 45.100 -0.459 0.000 0.870 192 G HN 0.238 nan 8.290 nan 0.000 0.548 193 V N 0.366 120.366 119.914 0.144 0.000 2.686 193 V HA 0.298 4.418 4.120 -0.000 0.000 0.306 193 V C -0.170 176.069 176.094 0.241 0.000 1.065 193 V CA -0.732 61.695 62.300 0.211 0.000 0.894 193 V CB 1.926 33.769 31.823 0.034 0.000 1.004 193 V HN 0.581 nan 8.190 nan 0.000 0.424 194 V N 6.176 126.193 119.914 0.171 0.000 2.461 194 V HA 0.494 4.614 4.120 -0.000 0.000 0.275 194 V C -0.164 175.850 176.094 -0.133 0.000 1.047 194 V CA -0.139 62.162 62.300 0.001 0.000 0.955 194 V CB 1.152 32.977 31.823 0.003 0.000 0.988 194 V HN 0.616 nan 8.190 nan 0.000 0.471 195 L N 5.395 126.504 121.223 -0.190 0.000 2.431 195 L HA 0.622 4.962 4.340 -0.000 0.000 0.266 195 L C 0.155 176.838 176.870 -0.312 0.000 0.978 195 L CA -0.958 53.772 54.840 -0.184 0.000 0.822 195 L CB 2.363 44.385 42.059 -0.063 0.000 1.310 195 L HN 0.741 nan 8.230 nan 0.000 0.409 196 R N 1.375 121.733 120.500 -0.238 0.000 2.679 196 R HA 0.425 4.765 4.340 -0.000 0.000 0.269 196 R C -2.534 173.698 176.300 -0.114 0.000 1.076 196 R CA -1.408 54.412 56.100 -0.467 0.000 1.160 196 R CB -0.430 29.720 30.300 -0.250 0.000 1.054 196 R HN 0.190 nan 8.270 nan 0.000 0.507 197 P HA -0.045 nan 4.420 nan 0.000 0.262 197 P C -1.079 176.214 177.300 -0.012 0.000 1.182 197 P CA 0.208 63.313 63.100 0.010 0.000 0.761 197 P CB 0.476 32.204 31.700 0.046 0.000 0.795 198 D N 1.598 121.985 120.400 -0.021 0.000 2.414 198 D HA 0.018 4.658 4.640 -0.000 0.000 0.251 198 D C 0.091 176.365 176.300 -0.044 0.000 1.252 198 D CA -0.312 53.666 54.000 -0.036 0.000 0.999 198 D CB 0.172 40.945 40.800 -0.045 0.000 1.093 198 D HN 0.335 nan 8.370 nan 0.000 0.515 199 Q N -0.943 118.821 119.800 -0.060 0.000 2.244 199 Q HA 0.148 4.488 4.340 -0.000 0.000 0.239 199 Q C -0.310 175.626 176.000 -0.106 0.000 0.890 199 Q CA -0.540 55.224 55.803 -0.064 0.000 0.964 199 Q CB -0.084 28.621 28.738 -0.056 0.000 1.076 199 Q HN 0.416 nan 8.270 nan 0.000 0.447 200 M N 1.880 121.388 119.600 -0.153 0.000 2.238 200 M HA 0.031 4.511 4.480 -0.000 0.000 0.350 200 M C -0.765 175.355 176.300 -0.299 0.000 1.321 200 M CA 0.413 55.527 55.300 -0.310 0.000 1.097 200 M CB 0.411 32.726 32.600 -0.475 0.000 1.713 200 M HN -0.260 nan 8.290 nan 0.000 0.455 201 K N 5.767 125.978 120.400 -0.316 0.000 2.404 201 K HA 0.217 4.537 4.320 -0.000 0.000 0.257 201 K C -1.626 174.857 176.600 -0.195 0.000 1.026 201 K CA -0.025 56.161 56.287 -0.168 0.000 0.951 201 K CB 0.335 32.781 32.500 -0.089 0.000 1.203 201 K HN 0.743 nan 8.250 nan 0.000 0.446 202 W N 1.353 122.647 121.300 -0.009 0.000 2.261 202 W HA 0.144 4.804 4.660 -0.000 0.000 0.323 202 W C 1.530 178.056 176.519 0.012 0.000 1.243 202 W CA -0.053 57.298 57.345 0.010 0.000 1.210 202 W CB 0.558 30.027 29.460 0.015 0.000 1.149 202 W HN 0.351 nan 8.180 nan 0.000 0.562 203 T N 1.806 116.525 114.554 0.275 0.000 2.726 203 T HA 0.444 4.794 4.350 -0.000 0.000 0.294 203 T C 0.433 175.214 174.700 0.135 0.000 1.013 203 T CA -0.356 61.837 62.100 0.155 0.000 0.996 203 T CB 0.214 69.156 68.868 0.125 0.000 1.016 203 T HN 0.569 nan 8.240 nan 0.000 0.529 204 A N 3.005 125.866 122.820 0.068 0.000 2.567 204 A HA 0.358 4.678 4.320 -0.000 0.000 0.240 204 A C -2.046 175.541 177.584 0.005 0.000 1.053 204 A CA -0.812 51.244 52.037 0.032 0.000 0.755 204 A CB -0.907 18.099 19.000 0.010 0.000 0.978 204 A HN 0.706 nan 8.150 nan 0.000 0.507 205 P HA 0.162 nan 4.420 nan 0.000 0.264 205 P C -0.439 176.803 177.300 -0.096 0.000 1.193 205 P CA 0.189 63.241 63.100 -0.080 0.000 0.763 205 P CB 0.315 31.972 31.700 -0.072 0.000 0.810 206 L N 3.161 124.285 121.223 -0.165 0.000 2.417 206 L HA 0.186 4.526 4.340 -0.000 0.000 0.268 206 L C 0.924 177.745 176.870 -0.082 0.000 1.158 206 L CA -0.742 54.017 54.840 -0.134 0.000 0.819 206 L CB 0.296 42.228 42.059 -0.211 0.000 1.112 206 L HN 0.325 nan 8.230 nan 0.000 0.458 207 K N 2.545 122.919 120.400 -0.043 0.000 2.219 207 K HA 0.265 4.585 4.320 -0.000 0.000 0.258 207 K C -2.319 174.284 176.600 0.005 0.000 1.008 207 K CA -1.490 54.782 56.287 -0.024 0.000 0.928 207 K CB -0.646 31.840 32.500 -0.023 0.000 0.983 207 K HN 0.287 nan 8.250 nan 0.000 0.484 208 P HA -0.068 nan 4.420 nan 0.000 0.265 208 P C -0.646 176.714 177.300 0.100 0.000 1.193 208 P CA -0.115 63.020 63.100 0.058 0.000 0.765 208 P CB 0.318 32.041 31.700 0.037 0.000 0.823 209 F N 3.063 123.031 119.950 0.029 0.000 2.578 209 F HA -0.084 4.443 4.527 -0.000 0.000 0.376 209 F C 2.045 177.882 175.800 0.062 0.000 1.085 209 F CA 0.643 58.681 58.000 0.064 0.000 1.260 209 F CB 0.659 39.746 39.000 0.146 0.000 1.095 209 F HN 0.453 nan 8.300 nan 0.000 0.573 210 S N 3.764 119.141 115.700 -0.538 0.000 2.389 210 S HA -0.269 4.201 4.470 -0.000 0.000 0.229 210 S C 0.320 174.872 174.600 -0.081 0.000 1.048 210 S CA 1.742 59.754 58.200 -0.313 0.000 1.117 210 S CB -0.608 62.357 63.200 -0.392 0.000 1.020 210 S HN 0.883 nan 8.310 nan 0.000 0.430 211 H N -0.320 118.621 119.070 -0.214 0.000 3.112 211 H HA 0.369 4.925 4.556 -0.000 0.000 0.347 211 H C -2.732 172.706 175.328 0.184 0.000 1.188 211 H CA -1.216 54.843 56.048 0.017 0.000 1.240 211 H CB 1.523 31.272 29.762 -0.022 0.000 1.920 211 H HN -0.140 nan 8.280 nan 0.000 0.535 212 P HA -0.214 nan 4.420 nan 0.000 0.216 212 P C 1.377 178.827 177.300 0.249 0.000 1.154 212 P CA 2.233 65.415 63.100 0.136 0.000 0.865 212 P CB 0.075 31.744 31.700 -0.051 0.000 0.789 213 V N -3.521 116.639 119.914 0.410 0.000 3.241 213 V HA -0.095 4.025 4.120 -0.000 0.000 0.269 213 V C 1.060 177.283 176.094 0.213 0.000 1.151 213 V CA 1.825 64.278 62.300 0.255 0.000 1.158 213 V CB -1.317 30.625 31.823 0.199 0.000 0.764 213 V HN -0.017 nan 8.190 nan 0.000 0.508 214 D N 1.180 121.745 120.400 0.276 0.000 2.339 214 D HA 0.392 5.032 4.640 -0.000 0.000 0.217 214 D C 0.982 177.548 176.300 0.443 0.000 1.050 214 D CA 0.879 55.016 54.000 0.227 0.000 0.856 214 D CB 0.567 41.373 40.800 0.010 0.000 0.922 214 D HN 0.692 nan 8.370 nan 0.000 0.518 215 A N 0.150 123.219 122.820 0.414 0.000 2.293 215 A HA 0.582 4.902 4.320 -0.000 0.000 0.302 215 A C -0.291 177.339 177.584 0.077 0.000 1.119 215 A CA -0.394 51.763 52.037 0.200 0.000 0.823 215 A CB 1.330 20.171 19.000 -0.266 0.000 1.097 215 A HN -0.038 nan 8.150 nan 0.000 0.491 216 V N 3.201 123.145 119.914 0.050 0.000 2.445 216 V HA 0.256 4.376 4.120 -0.000 0.000 0.283 216 V C -0.525 175.571 176.094 0.002 0.000 1.014 216 V CA -0.020 62.297 62.300 0.028 0.000 0.852 216 V CB 0.917 32.762 31.823 0.037 0.000 1.021 216 V HN 0.738 nan 8.190 nan 0.000 0.435 217 I N 4.405 124.946 120.570 -0.048 0.000 2.472 217 I HA 0.398 4.568 4.170 -0.000 0.000 0.290 217 I C -0.775 175.240 176.117 -0.169 0.000 1.016 217 I CA -0.525 60.719 61.300 -0.094 0.000 1.348 217 I CB 1.046 38.979 38.000 -0.112 0.000 1.417 217 I HN 0.593 nan 8.210 nan 0.000 0.521 218 Y N 5.428 125.557 120.300 -0.286 0.000 2.332 218 Y HA 0.276 4.826 4.550 -0.000 0.000 0.326 218 Y C -0.175 175.543 175.900 -0.304 0.000 0.978 218 Y CA -0.678 57.242 58.100 -0.301 0.000 1.205 218 Y CB 1.125 39.484 38.460 -0.168 0.000 1.131 218 Y HN 0.541 nan 8.280 nan 0.000 0.462 219 E N 4.512 124.328 120.200 -0.640 0.000 2.194 219 E HA 0.274 4.624 4.350 -0.000 0.000 0.284 219 E C -1.046 175.331 176.600 -0.371 0.000 1.035 219 E CA -0.025 56.158 56.400 -0.361 0.000 0.836 219 E CB 1.068 30.706 29.700 -0.104 0.000 1.070 219 E HN 0.650 nan 8.360 nan 0.000 0.401 220 T N 3.042 117.471 114.554 -0.209 0.000 2.883 220 T HA 0.239 4.589 4.350 -0.000 0.000 0.301 220 T C -1.717 172.962 174.700 -0.035 0.000 1.158 220 T CA -0.646 61.378 62.100 -0.126 0.000 1.007 220 T CB 1.055 69.873 68.868 -0.082 0.000 1.186 220 T HN 0.594 nan 8.240 nan 0.000 0.499 221 H N 3.325 122.386 119.070 -0.016 0.000 2.476 221 H HA 0.503 5.059 4.556 -0.000 0.000 0.328 221 H C 1.226 176.554 175.328 -0.000 0.000 1.073 221 H CA -0.714 55.330 56.048 -0.006 0.000 1.229 221 H CB 0.819 30.673 29.762 0.154 0.000 1.432 221 H HN 0.542 nan 8.280 nan 0.000 0.477 222 L N 3.430 124.381 121.223 -0.454 0.000 2.189 222 L HA -0.184 4.156 4.340 -0.000 0.000 0.214 222 L C 2.527 179.358 176.870 -0.064 0.000 1.097 222 L CA 1.437 56.035 54.840 -0.403 0.000 0.764 222 L CB -0.211 41.248 42.059 -1.001 0.000 0.900 222 L HN 0.681 nan 8.230 nan 0.000 0.436 223 R N 0.044 120.683 120.500 0.232 0.000 2.062 223 R HA -0.120 4.220 4.340 -0.000 0.000 0.226 223 R C 1.910 178.489 176.300 0.465 0.000 1.125 223 R CA 1.397 57.777 56.100 0.466 0.000 0.966 223 R CB 0.009 30.715 30.300 0.676 0.000 0.861 223 R HN 0.230 nan 8.270 nan 0.000 0.433 224 D N 0.401 121.142 120.400 0.568 0.000 2.104 224 D HA -0.219 4.421 4.640 -0.000 0.000 0.194 224 D C 1.559 178.068 176.300 0.349 0.000 0.994 224 D CA 1.180 55.414 54.000 0.389 0.000 0.830 224 D CB -0.481 40.525 40.800 0.344 0.000 0.959 224 D HN 0.174 nan 8.370 nan 0.000 0.452 225 F N 1.291 121.384 119.950 0.239 0.000 2.147 225 F HA -0.257 4.270 4.527 -0.000 0.000 0.301 225 F C 2.050 178.113 175.800 0.437 0.000 1.084 225 F CA 2.003 60.172 58.000 0.281 0.000 1.268 225 F CB 0.062 39.194 39.000 0.219 0.000 1.009 225 F HN 0.045 nan 8.300 nan 0.000 0.486 226 S N -2.119 113.754 115.700 0.287 0.000 2.733 226 S HA 0.117 4.587 4.470 -0.000 0.000 0.247 226 S C 1.439 176.150 174.600 0.185 0.000 1.043 226 S CA 0.120 58.422 58.200 0.171 0.000 1.066 226 S CB -0.670 62.624 63.200 0.158 0.000 1.045 226 S HN 0.214 nan 8.310 nan 0.000 0.586 227 I N 3.085 123.792 120.570 0.227 0.000 2.454 227 I HA -0.042 4.128 4.170 -0.000 0.000 0.254 227 I C 1.030 177.248 176.117 0.169 0.000 1.156 227 I CA 0.917 62.328 61.300 0.185 0.000 1.433 227 I CB -0.536 37.585 38.000 0.201 0.000 1.082 227 I HN 0.458 nan 8.210 nan 0.000 0.432 228 H N 1.935 121.092 119.070 0.146 0.000 3.034 228 H HA -0.072 4.484 4.556 -0.000 0.000 0.324 228 H C 1.352 176.727 175.328 0.078 0.000 1.015 228 H CA 0.938 57.065 56.048 0.131 0.000 1.429 228 H CB 0.762 30.656 29.762 0.220 0.000 1.429 228 H HN 0.514 nan 8.280 nan 0.000 0.585 229 E N 2.725 122.771 120.200 -0.257 0.000 2.187 229 E HA -0.278 4.072 4.350 -0.000 0.000 0.199 229 E C 1.025 177.650 176.600 0.041 0.000 1.004 229 E CA 1.675 58.007 56.400 -0.114 0.000 0.813 229 E CB -0.128 29.456 29.700 -0.193 0.000 0.736 229 E HN 0.659 nan 8.360 nan 0.000 0.468 230 N N 0.465 119.348 118.700 0.306 0.000 2.295 230 N HA 0.020 4.760 4.740 -0.000 0.000 0.221 230 N C 1.067 176.598 175.510 0.035 0.000 1.129 230 N CA 0.448 53.619 53.050 0.202 0.000 0.836 230 N CB 0.254 38.891 38.487 0.251 0.000 1.040 230 N HN 0.270 nan 8.380 nan 0.000 0.494 231 S N -0.593 115.095 115.700 -0.020 0.000 2.447 231 S HA 0.013 4.483 4.470 -0.000 0.000 0.233 231 S C 1.636 175.850 174.600 -0.644 0.000 1.006 231 S CA 1.157 59.022 58.200 -0.558 0.000 0.957 231 S CB -0.375 62.650 63.200 -0.292 0.000 0.773 231 S HN 0.435 nan 8.310 nan 0.000 0.507 232 G N 0.578 109.185 108.800 -0.322 0.000 2.159 232 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.256 232 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.256 232 G C -0.051 174.716 174.900 -0.222 0.000 0.977 232 G CA 0.571 45.510 45.100 -0.269 0.000 0.652 232 G HN 0.559 nan 8.290 nan 0.000 0.531 233 M N -0.319 119.158 119.600 -0.205 0.000 2.436 233 M HA 0.572 5.052 4.480 -0.000 0.000 0.331 233 M C 1.597 177.861 176.300 -0.061 0.000 1.135 233 M CA -0.792 54.435 55.300 -0.121 0.000 0.987 233 M CB 1.586 34.123 32.600 -0.105 0.000 1.687 233 M HN -0.008 nan 8.290 nan 0.000 0.445 234 I N 0.985 121.534 120.570 -0.034 0.000 2.235 234 I HA -0.156 4.014 4.170 -0.000 0.000 0.241 234 I C 0.869 176.990 176.117 0.007 0.000 1.085 234 I CA 0.846 62.137 61.300 -0.014 0.000 1.378 234 I CB -0.119 37.875 38.000 -0.010 0.000 1.076 234 I HN 0.660 nan 8.210 nan 0.000 0.415 235 N N 3.441 122.154 118.700 0.021 0.000 3.254 235 N HA 0.061 4.801 4.740 -0.000 0.000 0.308 235 N C -0.561 174.982 175.510 0.056 0.000 1.281 235 N CA 0.202 53.276 53.050 0.041 0.000 1.212 235 N CB 0.027 38.546 38.487 0.054 0.000 1.478 235 N HN 0.327 nan 8.380 nan 0.000 0.548 236 K N -0.013 120.417 120.400 0.050 0.000 2.436 236 K HA 0.047 4.367 4.320 -0.000 0.000 0.282 236 K C 1.104 177.764 176.600 0.099 0.000 1.044 236 K CA 0.243 56.574 56.287 0.072 0.000 1.028 236 K CB 0.394 32.928 32.500 0.057 0.000 0.919 236 K HN 0.516 nan 8.250 nan 0.000 0.474 237 G N 2.427 111.309 108.800 0.137 0.000 2.148 237 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.254 237 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.254 237 G C -0.137 174.837 174.900 0.122 0.000 0.981 237 G CA 0.231 45.431 45.100 0.165 0.000 0.670 237 G HN 0.467 nan 8.290 nan 0.000 0.528 238 K N -1.323 119.119 120.400 0.069 0.000 2.352 238 K HA 0.544 4.864 4.320 -0.000 0.000 0.240 238 K C 0.922 177.523 176.600 0.000 0.000 1.017 238 K CA -1.045 55.247 56.287 0.008 0.000 0.851 238 K CB 0.632 33.162 32.500 0.051 0.000 1.261 238 K HN 0.040 nan 8.250 nan 0.000 0.451 239 Y N 0.548 120.886 120.300 0.064 0.000 2.114 239 Y HA -0.236 4.314 4.550 -0.000 0.000 0.282 239 Y C 2.087 177.995 175.900 0.014 0.000 1.165 239 Y CA 1.181 59.290 58.100 0.015 0.000 1.148 239 Y CB -0.264 38.223 38.460 0.045 0.000 0.972 239 Y HN 0.301 nan 8.280 nan 0.000 0.504 240 L N -0.583 120.758 121.223 0.198 0.000 2.450 240 L HA -0.205 4.135 4.340 -0.000 0.000 0.224 240 L C 2.613 179.536 176.870 0.087 0.000 1.149 240 L CA 0.468 55.375 54.840 0.113 0.000 0.816 240 L CB -0.730 41.381 42.059 0.087 0.000 0.932 240 L HN 0.267 nan 8.230 nan 0.000 0.449 241 A N 0.214 123.098 122.820 0.106 0.000 1.917 241 A HA -0.212 4.108 4.320 -0.000 0.000 0.219 241 A C 2.017 179.680 177.584 0.132 0.000 1.182 241 A CA 1.443 53.552 52.037 0.120 0.000 0.633 241 A CB -0.514 18.596 19.000 0.182 0.000 0.819 241 A HN 0.290 nan 8.150 nan 0.000 0.448 242 L N 0.831 122.126 121.223 0.119 0.000 2.622 242 L HA -0.041 4.299 4.340 -0.000 0.000 0.233 242 L C 2.326 179.200 176.870 0.007 0.000 1.156 242 L CA 2.069 56.948 54.840 0.065 0.000 0.866 242 L CB -1.474 40.566 42.059 -0.033 0.000 0.980 242 L HN 0.732 nan 8.230 nan 0.000 0.448 243 T N -4.594 109.970 114.554 0.017 0.000 3.065 243 T HA 0.057 4.406 4.350 -0.000 0.000 0.252 243 T C 0.685 175.379 174.700 -0.011 0.000 1.099 243 T CA -0.267 61.832 62.100 -0.001 0.000 1.063 243 T CB -0.055 68.820 68.868 0.011 0.000 0.948 243 T HN 0.270 nan 8.240 nan 0.000 0.506 244 E N 3.535 123.732 120.200 -0.005 0.000 2.217 244 E HA 0.271 4.621 4.350 -0.000 0.000 0.279 244 E C 0.153 176.725 176.600 -0.046 0.000 1.068 244 E CA -0.349 56.041 56.400 -0.018 0.000 0.882 244 E CB 0.680 30.371 29.700 -0.015 0.000 1.039 244 E HN 0.526 nan 8.360 nan 0.000 0.418 245 T N 0.379 114.909 114.554 -0.040 0.000 2.913 245 T HA 0.084 4.434 4.350 -0.000 0.000 0.287 245 T C 0.331 175.011 174.700 -0.034 0.000 1.008 245 T CA -0.950 61.121 62.100 -0.049 0.000 1.067 245 T CB 0.793 69.669 68.868 0.014 0.000 0.996 245 T HN 0.470 nan 8.240 nan 0.000 0.513 246 D N 0.590 120.972 120.400 -0.030 0.000 2.737 246 D HA -0.166 4.474 4.640 -0.000 0.000 0.233 246 D C 0.507 176.776 176.300 -0.052 0.000 1.155 246 D CA 1.416 55.401 54.000 -0.026 0.000 0.667 246 D CB -1.671 39.124 40.800 -0.008 0.000 1.060 246 D HN 0.981 nan 8.370 nan 0.000 0.427 247 T N -1.814 112.691 114.554 -0.082 0.000 2.882 247 T HA 0.499 4.849 4.350 -0.000 0.000 0.287 247 T C 0.300 174.900 174.700 -0.167 0.000 1.014 247 T CA -0.586 61.435 62.100 -0.131 0.000 1.049 247 T CB 2.634 71.395 68.868 -0.177 0.000 1.001 247 T HN 0.379 nan 8.240 nan 0.000 0.525 248 Q N -0.472 119.211 119.800 -0.195 0.000 2.575 248 Q HA 0.511 4.851 4.340 -0.000 0.000 0.290 248 Q C -0.628 175.237 176.000 -0.225 0.000 0.963 248 Q CA -1.247 54.435 55.803 -0.203 0.000 0.783 248 Q CB 0.879 29.550 28.738 -0.112 0.000 1.467 248 Q HN 0.815 nan 8.270 nan 0.000 0.402 249 T N -2.010 112.418 114.554 -0.210 0.000 2.698 249 T HA 0.428 4.778 4.350 -0.000 0.000 0.295 249 T C 1.375 176.013 174.700 -0.104 0.000 1.007 249 T CA 0.133 62.134 62.100 -0.165 0.000 0.980 249 T CB 0.557 69.355 68.868 -0.117 0.000 1.036 249 T HN 0.797 nan 8.240 nan 0.000 0.526 250 A N 1.361 124.138 122.820 -0.073 0.000 1.892 250 A HA -0.136 4.184 4.320 -0.000 0.000 0.218 250 A C 2.125 179.679 177.584 -0.051 0.000 1.188 250 A CA 1.592 53.597 52.037 -0.053 0.000 0.631 250 A CB -1.035 17.944 19.000 -0.035 0.000 0.822 250 A HN 0.878 nan 8.150 nan 0.000 0.447 251 N N -0.532 118.136 118.700 -0.052 0.000 2.434 251 N HA 0.152 4.892 4.740 -0.000 0.000 0.196 251 N C 1.025 176.507 175.510 -0.047 0.000 1.183 251 N CA 0.984 54.005 53.050 -0.047 0.000 0.849 251 N CB 0.325 38.782 38.487 -0.050 0.000 0.992 251 N HN 0.738 nan 8.380 nan 0.000 0.460 252 G N 0.150 108.918 108.800 -0.054 0.000 2.157 252 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.248 252 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.248 252 G C -0.055 174.820 174.900 -0.042 0.000 0.979 252 G CA -0.070 45.001 45.100 -0.048 0.000 0.650 252 G HN 0.316 nan 8.290 nan 0.000 0.529 253 S N 0.937 116.609 115.700 -0.047 0.000 2.548 253 S HA 0.570 5.040 4.470 -0.000 0.000 0.277 253 S C 0.929 175.512 174.600 -0.027 0.000 1.315 253 S CA 0.228 58.416 58.200 -0.020 0.000 1.050 253 S CB 1.363 64.550 63.200 -0.020 0.000 0.918 253 S HN 1.548 nan 8.310 nan 0.000 0.497 254 S N 2.957 118.681 115.700 0.041 0.000 2.558 254 S HA 0.330 4.800 4.470 -0.000 0.000 0.287 254 S C 0.286 174.890 174.600 0.007 0.000 1.321 254 S CA -0.352 57.883 58.200 0.058 0.000 1.048 254 S CB 0.187 63.488 63.200 0.168 0.000 0.844 254 S HN 0.869 nan 8.310 nan 0.000 0.512 255 S N 1.943 117.541 115.700 -0.170 0.000 2.776 255 S HA 0.884 5.354 4.470 -0.000 0.000 0.292 255 S C 0.724 175.125 174.600 -0.331 0.000 1.187 255 S CA -0.328 57.474 58.200 -0.664 0.000 0.834 255 S CB 0.549 62.990 63.200 -1.265 0.000 1.199 255 S HN 2.307 nan 8.310 nan 0.000 0.514 256 G N 0.898 109.393 108.800 -0.508 0.000 2.602 256 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.306 256 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.306 256 G C 0.794 175.938 174.900 0.405 0.000 1.301 256 G CA 0.458 45.621 45.100 0.104 0.000 0.974 256 G HN 1.425 nan 8.290 nan 0.000 0.547 257 L N 0.274 121.628 121.223 0.218 0.000 2.013 257 L HA -0.112 4.228 4.340 -0.000 0.000 0.212 257 L C 3.409 180.298 176.870 0.031 0.000 1.073 257 L CA 3.032 57.908 54.840 0.060 0.000 0.753 257 L CB -0.973 41.014 42.059 -0.120 0.000 0.890 257 L HN 0.940 nan 8.230 nan 0.000 0.432 258 A N -0.928 121.904 122.820 0.020 0.000 1.917 258 A HA -0.338 3.982 4.320 -0.000 0.000 0.219 258 A C 2.108 179.753 177.584 0.101 0.000 1.182 258 A CA 2.044 54.100 52.037 0.031 0.000 0.633 258 A CB -1.137 17.874 19.000 0.018 0.000 0.819 258 A HN 0.655 nan 8.150 nan 0.000 0.448 259 Y N 0.648 120.979 120.300 0.053 0.000 2.145 259 Y HA -0.180 4.370 4.550 -0.000 0.000 0.286 259 Y C 2.379 178.321 175.900 0.070 0.000 1.145 259 Y CA 1.979 60.151 58.100 0.120 0.000 1.148 259 Y CB -0.465 38.172 38.460 0.296 0.000 0.981 259 Y HN 0.060 nan 8.280 nan 0.000 0.507 260 V N 0.804 120.759 119.914 0.068 0.000 2.343 260 V HA -0.300 3.820 4.120 -0.000 0.000 0.247 260 V C 2.368 178.328 176.094 -0.223 0.000 1.051 260 V CA 2.293 64.467 62.300 -0.210 0.000 1.036 260 V CB -0.815 30.950 31.823 -0.098 0.000 0.654 260 V HN 0.275 nan 8.190 nan 0.000 0.451 261 K N 0.987 121.325 120.400 -0.103 0.000 2.026 261 K HA -0.234 4.086 4.320 -0.000 0.000 0.208 261 K C 2.153 178.696 176.600 -0.094 0.000 1.048 261 K CA 2.163 58.408 56.287 -0.070 0.000 0.929 261 K CB -0.473 32.023 32.500 -0.007 0.000 0.713 261 K HN 0.560 nan 8.250 nan 0.000 0.439 262 E N 0.032 120.170 120.200 -0.104 0.000 2.110 262 E HA -0.172 4.178 4.350 -0.000 0.000 0.193 262 E C 1.952 178.450 176.600 -0.170 0.000 0.988 262 E CA 1.145 57.484 56.400 -0.102 0.000 0.804 262 E CB -0.134 29.531 29.700 -0.059 0.000 0.745 262 E HN 0.354 nan 8.360 nan 0.000 0.458 263 L N -0.554 120.482 121.223 -0.311 0.000 2.127 263 L HA -0.131 4.209 4.340 -0.000 0.000 0.211 263 L C 1.826 178.571 176.870 -0.209 0.000 1.089 263 L CA 1.234 55.877 54.840 -0.328 0.000 0.757 263 L CB -0.296 41.456 42.059 -0.511 0.000 0.899 263 L HN 0.585 nan 8.230 nan 0.000 0.434 264 G N -0.643 108.053 108.800 -0.173 0.000 2.163 264 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.213 264 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.213 264 G C 0.336 175.185 174.900 -0.085 0.000 0.991 264 G CA 0.032 45.068 45.100 -0.108 0.000 0.653 264 G HN 0.253 nan 8.290 nan 0.000 0.518 265 V N -0.454 119.381 119.914 -0.133 0.000 2.999 265 V HA 0.683 4.803 4.120 -0.000 0.000 0.307 265 V C 1.434 177.513 176.094 -0.025 0.000 1.084 265 V CA 1.502 63.751 62.300 -0.085 0.000 1.155 265 V CB 1.121 32.849 31.823 -0.158 0.000 0.975 265 V HN 1.023 nan 8.190 nan 0.000 0.490 266 T N -0.295 114.285 114.554 0.044 0.000 3.038 266 T HA 0.256 4.606 4.350 -0.000 0.000 0.244 266 T C 0.447 175.120 174.700 -0.045 0.000 1.016 266 T CA 0.440 62.584 62.100 0.073 0.000 1.098 266 T CB -0.238 68.774 68.868 0.240 0.000 0.954 266 T HN 0.826 nan 8.240 nan 0.000 0.469 267 H N 0.295 119.285 119.070 -0.134 0.000 2.589 267 H HA 0.693 5.249 4.556 -0.000 0.000 0.351 267 H C -1.189 174.093 175.328 -0.077 0.000 1.074 267 H CA -0.815 55.154 56.048 -0.132 0.000 1.203 267 H CB 1.945 31.601 29.762 -0.177 0.000 1.558 267 H HN 0.046 nan 8.280 nan 0.000 0.522 268 V N 2.932 122.854 119.914 0.013 0.000 2.364 268 V HA 0.149 4.269 4.120 -0.000 0.000 0.272 268 V C 0.344 176.419 176.094 -0.032 0.000 1.036 268 V CA -0.624 61.672 62.300 -0.007 0.000 0.880 268 V CB 1.086 32.862 31.823 -0.077 0.000 0.991 268 V HN 0.756 nan 8.190 nan 0.000 0.460 269 E N 5.355 125.536 120.200 -0.031 0.000 2.146 269 E HA 0.513 4.863 4.350 -0.000 0.000 0.282 269 E C -1.193 175.350 176.600 -0.096 0.000 0.989 269 E CA -0.579 55.802 56.400 -0.032 0.000 0.799 269 E CB 0.993 30.742 29.700 0.083 0.000 1.088 269 E HN 0.624 nan 8.360 nan 0.000 0.397 270 L N 4.657 125.792 121.223 -0.147 0.000 2.309 270 L HA 0.343 4.683 4.340 -0.000 0.000 0.282 270 L C -0.061 176.677 176.870 -0.221 0.000 1.036 270 L CA -1.075 53.647 54.840 -0.197 0.000 0.806 270 L CB 0.846 42.772 42.059 -0.222 0.000 1.220 270 L HN 0.512 nan 8.230 nan 0.000 0.429 271 L N 3.856 124.926 121.223 -0.254 0.000 2.476 271 L HA 0.195 4.535 4.340 -0.000 0.000 0.264 271 L C -1.916 174.750 176.870 -0.339 0.000 1.224 271 L CA -0.842 53.806 54.840 -0.320 0.000 0.821 271 L CB -0.382 41.500 42.059 -0.296 0.000 1.101 271 L HN 0.372 nan 8.230 nan 0.000 0.488 272 P HA -0.140 nan 4.420 nan 0.000 0.257 272 P C 0.167 177.430 177.300 -0.063 0.000 1.144 272 P CA 0.648 63.561 63.100 -0.313 0.000 0.761 272 P CB 0.083 31.516 31.700 -0.446 0.000 0.734 273 V N 0.299 120.143 119.914 -0.116 0.000 3.477 273 V HA 0.176 4.296 4.120 -0.000 0.000 0.297 273 V C 0.544 176.654 176.094 0.026 0.000 1.433 273 V CA -0.156 62.183 62.300 0.065 0.000 1.052 273 V CB -0.878 30.953 31.823 0.014 0.000 0.895 273 V HN 0.447 nan 8.190 nan 0.000 0.438 274 N N 0.201 118.842 118.700 -0.099 0.000 2.483 274 N HA 0.236 4.976 4.740 -0.000 0.000 0.269 274 N C -0.382 175.131 175.510 0.005 0.000 1.209 274 N CA -0.444 52.610 53.050 0.006 0.000 0.969 274 N CB 0.443 38.879 38.487 -0.086 0.000 1.173 274 N HN 0.167 nan 8.380 nan 0.000 0.475 275 D N -0.310 120.091 120.400 0.002 0.000 2.450 275 D HA 0.124 4.764 4.640 -0.000 0.000 0.247 275 D C -0.967 175.212 176.300 -0.201 0.000 1.162 275 D CA 0.097 54.002 54.000 -0.158 0.000 0.879 275 D CB -0.113 40.688 40.800 0.002 0.000 1.163 275 D HN 0.483 nan 8.370 nan 0.000 0.472 276 F N 1.044 120.859 119.950 -0.225 0.000 2.640 276 F HA 0.840 5.367 4.527 -0.000 0.000 0.324 276 F C -0.600 175.015 175.800 -0.309 0.000 1.077 276 F CA -1.485 56.342 58.000 -0.287 0.000 0.965 276 F CB 0.789 39.628 39.000 -0.268 0.000 1.351 276 F HN 0.278 nan 8.300 nan 0.000 0.487 277 A N -0.045 122.736 122.820 -0.065 0.000 2.294 277 A HA 0.763 5.083 4.320 -0.000 0.000 0.330 277 A C 0.703 178.222 177.584 -0.108 0.000 1.133 277 A CA -0.206 51.654 52.037 -0.295 0.000 0.836 277 A CB 0.504 18.933 19.000 -0.952 0.000 1.190 277 A HN 2.095 nan 8.150 nan 0.000 0.492 278 G N -1.136 107.601 108.800 -0.105 0.000 2.551 278 G HA2 0.037 3.997 3.960 -0.000 0.000 0.186 278 G HA3 0.037 3.997 3.960 -0.000 0.000 0.186 278 G C -0.272 174.632 174.900 0.006 0.000 1.002 278 G CA 0.250 45.335 45.100 -0.024 0.000 0.723 278 G HN 1.511 nan 8.290 nan 0.000 0.481 279 V N 1.857 121.771 119.914 -0.001 0.000 2.569 279 V HA 0.498 4.618 4.120 -0.000 0.000 0.301 279 V C -1.073 174.963 176.094 -0.097 0.000 1.044 279 V CA -0.967 61.308 62.300 -0.042 0.000 0.874 279 V CB 1.861 33.654 31.823 -0.050 0.000 1.002 279 V HN 0.295 nan 8.190 nan 0.000 0.424 280 D N 3.443 123.801 120.400 -0.069 0.000 2.346 280 D HA 0.099 4.739 4.640 -0.000 0.000 0.260 280 D C 1.110 177.351 176.300 -0.098 0.000 1.252 280 D CA 0.186 54.142 54.000 -0.073 0.000 0.895 280 D CB 1.294 42.072 40.800 -0.037 0.000 1.097 280 D HN 0.663 nan 8.370 nan 0.000 0.489 281 E N 2.235 122.351 120.200 -0.139 0.000 2.409 281 E HA -0.128 4.222 4.350 -0.000 0.000 0.198 281 E C 0.920 177.439 176.600 -0.135 0.000 1.024 281 E CA 0.564 56.858 56.400 -0.176 0.000 0.861 281 E CB 0.426 29.986 29.700 -0.232 0.000 0.788 281 E HN 0.495 nan 8.360 nan 0.000 0.521 282 E N 0.739 120.899 120.200 -0.065 0.000 2.385 282 E HA -0.039 4.311 4.350 -0.000 0.000 0.194 282 E C 0.430 177.035 176.600 0.009 0.000 1.013 282 E CA 0.600 57.005 56.400 0.007 0.000 0.866 282 E CB 0.306 30.029 29.700 0.038 0.000 0.832 282 E HN 0.279 nan 8.360 nan 0.000 0.500 283 K N -0.266 120.124 120.400 -0.017 0.000 3.218 283 K HA 0.222 4.542 4.320 -0.000 0.000 0.187 283 K C -2.540 174.050 176.600 -0.017 0.000 1.186 283 K CA -0.887 55.396 56.287 -0.007 0.000 0.827 283 K CB 1.199 33.700 32.500 0.001 0.000 1.083 283 K HN -0.265 nan 8.250 nan 0.000 0.583 284 P HA -0.178 nan 4.420 nan 0.000 0.218 284 P C 1.065 178.369 177.300 0.008 0.000 1.146 284 P CA 0.875 63.955 63.100 -0.035 0.000 0.813 284 P CB 0.287 31.954 31.700 -0.055 0.000 0.778 285 L N -0.654 120.580 121.223 0.019 0.000 2.418 285 L HA -0.008 4.332 4.340 -0.000 0.000 0.218 285 L C 1.772 178.663 176.870 0.034 0.000 1.125 285 L CA 0.823 55.685 54.840 0.038 0.000 0.835 285 L CB -0.745 41.332 42.059 0.031 0.000 0.953 285 L HN -0.138 nan 8.230 nan 0.000 0.454 286 D N 0.500 120.912 120.400 0.020 0.000 2.348 286 D HA 0.090 4.730 4.640 -0.000 0.000 0.216 286 D C 0.665 176.977 176.300 0.020 0.000 0.970 286 D CA 0.642 54.651 54.000 0.015 0.000 0.889 286 D CB 0.294 41.099 40.800 0.007 0.000 0.912 286 D HN 0.324 nan 8.370 nan 0.000 0.524 287 A N -0.894 121.946 122.820 0.033 0.000 2.599 287 A HA 0.572 4.892 4.320 -0.000 0.000 0.290 287 A C -1.911 175.732 177.584 0.100 0.000 1.101 287 A CA -0.760 51.304 52.037 0.045 0.000 0.674 287 A CB 1.306 20.315 19.000 0.016 0.000 1.277 287 A HN 0.017 nan 8.150 nan 0.000 0.419 288 Y N 1.420 121.691 120.300 -0.049 0.000 2.553 288 Y HA 0.754 5.304 4.550 -0.000 0.000 0.347 288 Y C -0.859 174.994 175.900 -0.078 0.000 1.019 288 Y CA -0.959 57.118 58.100 -0.038 0.000 1.032 288 Y CB 1.915 40.330 38.460 -0.076 0.000 1.284 288 Y HN 0.804 nan 8.280 nan 0.000 0.466 289 N N 3.615 121.919 118.700 -0.659 0.000 2.516 289 N HA 0.050 4.790 4.740 -0.000 0.000 0.268 289 N C -0.362 174.858 175.510 -0.483 0.000 1.096 289 N CA -0.402 52.408 53.050 -0.400 0.000 0.954 289 N CB 0.935 39.317 38.487 -0.175 0.000 1.676 289 N HN 0.832 nan 8.380 nan 0.000 0.490 290 W N 2.236 123.383 121.300 -0.255 0.000 2.374 290 W HA 0.085 4.745 4.660 -0.000 0.000 0.288 290 W C 1.555 177.677 176.519 -0.661 0.000 1.218 290 W CA 2.023 59.250 57.345 -0.197 0.000 1.245 290 W CB -0.523 28.998 29.460 0.101 0.000 1.126 290 W HN 0.896 nan 8.180 nan 0.000 0.545 291 G N -2.187 106.110 108.800 -0.839 0.000 2.154 291 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.186 291 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.186 291 G C -0.079 174.258 174.900 -0.938 0.000 1.000 291 G CA -0.204 43.801 45.100 -1.826 0.000 0.664 291 G HN 0.229 nan 8.290 nan 0.000 0.513 292 Y N 1.634 121.816 120.300 -0.197 0.000 2.873 292 Y HA 0.350 4.900 4.550 -0.000 0.000 0.375 292 Y C 0.913 176.865 175.900 0.087 0.000 1.070 292 Y CA -0.474 57.626 58.100 0.001 0.000 1.644 292 Y CB 0.027 38.583 38.460 0.160 0.000 1.495 292 Y HN 0.178 nan 8.280 nan 0.000 0.494 293 N N 1.190 119.911 118.700 0.035 0.000 2.791 293 N HA 0.202 4.942 4.740 -0.000 0.000 0.265 293 N C -3.118 172.377 175.510 -0.026 0.000 1.580 293 N CA -1.472 51.639 53.050 0.101 0.000 0.809 293 N CB 1.225 39.679 38.487 -0.055 0.000 1.178 293 N HN 0.025 nan 8.380 nan 0.000 0.499 294 P HA 0.072 nan 4.420 nan 0.000 0.260 294 P C 0.626 177.717 177.300 -0.348 0.000 1.185 294 P CA 0.167 63.033 63.100 -0.390 0.000 0.763 294 P CB 1.057 32.383 31.700 -0.622 0.000 0.776 295 L N 2.530 123.482 121.223 -0.452 0.000 2.519 295 L HA 0.197 4.537 4.340 -0.000 0.000 0.194 295 L C 0.553 176.930 176.870 -0.823 0.000 1.072 295 L CA 0.434 54.930 54.840 -0.572 0.000 0.845 295 L CB 0.064 41.761 42.059 -0.605 0.000 1.138 295 L HN 0.412 nan 8.230 nan 0.000 0.487 296 H N -0.827 118.126 119.070 -0.196 0.000 2.823 296 H HA 0.236 4.792 4.556 -0.000 0.000 0.332 296 H C -0.144 175.186 175.328 0.005 0.000 0.980 296 H CA -0.720 55.312 56.048 -0.027 0.000 1.286 296 H CB 1.343 31.131 29.762 0.044 0.000 1.541 296 H HN -0.022 nan 8.280 nan 0.000 0.521 297 F N 0.552 120.745 119.950 0.404 0.000 2.558 297 F HA -0.007 4.520 4.527 -0.000 0.000 0.298 297 F C 1.361 177.416 175.800 0.424 0.000 1.119 297 F CA 0.724 58.949 58.000 0.375 0.000 1.451 297 F CB 0.068 39.363 39.000 0.491 0.000 1.091 297 F HN 0.377 nan 8.300 nan 0.000 0.563 298 F N -0.326 119.926 119.950 0.503 0.000 2.695 298 F HA 0.431 4.958 4.527 -0.000 0.000 0.303 298 F C 0.975 176.924 175.800 0.248 0.000 1.091 298 F CA -0.363 57.819 58.000 0.303 0.000 1.300 298 F CB -0.281 38.680 39.000 -0.065 0.000 1.071 298 F HN -0.207 nan 8.300 nan 0.000 0.578 299 A N 0.005 123.111 122.820 0.477 0.000 2.380 299 A HA 0.754 5.074 4.320 -0.000 0.000 0.315 299 A C -2.672 175.136 177.584 0.373 0.000 1.101 299 A CA -1.887 50.350 52.037 0.333 0.000 0.771 299 A CB 0.878 20.003 19.000 0.207 0.000 1.287 299 A HN -0.165 nan 8.150 nan 0.000 0.436 300 P HA 0.311 nan 4.420 nan 0.000 0.274 300 P C -0.521 176.864 177.300 0.142 0.000 1.237 300 P CA -0.266 63.001 63.100 0.279 0.000 0.793 300 P CB 0.573 32.398 31.700 0.208 0.000 0.977 301 E N 0.408 120.660 120.200 0.087 0.000 2.373 301 E HA 0.213 4.563 4.350 -0.000 0.000 0.267 301 E C 1.228 177.722 176.600 -0.176 0.000 1.032 301 E CA 0.265 56.511 56.400 -0.256 0.000 0.889 301 E CB 0.023 29.399 29.700 -0.540 0.000 0.984 301 E HN 0.513 nan 8.360 nan 0.000 0.425 302 G N 2.014 110.617 108.800 -0.327 0.000 2.492 302 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.214 302 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.214 302 G C 1.296 176.011 174.900 -0.308 0.000 1.147 302 G CA 0.504 45.467 45.100 -0.230 0.000 0.809 302 G HN 0.619 nan 8.290 nan 0.000 0.533 303 S N 0.037 115.431 115.700 -0.509 0.000 2.469 303 S HA -0.069 4.401 4.470 -0.000 0.000 0.238 303 S C 1.792 176.149 174.600 -0.405 0.000 0.998 303 S CA 0.692 58.620 58.200 -0.454 0.000 0.957 303 S CB -0.493 62.412 63.200 -0.492 0.000 0.764 303 S HN 0.346 nan 8.310 nan 0.000 0.514 304 Y N 1.955 122.019 120.300 -0.394 0.000 2.490 304 Y HA 0.585 5.135 4.550 -0.000 0.000 0.281 304 Y C 1.345 176.920 175.900 -0.542 0.000 1.174 304 Y CA -0.987 56.711 58.100 -0.669 0.000 1.295 304 Y CB -0.883 36.727 38.460 -1.416 0.000 1.062 304 Y HN 0.404 nan 8.280 nan 0.000 0.522 305 A N 0.017 122.796 122.820 -0.068 0.000 2.293 305 A HA 0.417 4.737 4.320 -0.000 0.000 0.302 305 A C 1.509 179.129 177.584 0.060 0.000 1.119 305 A CA 0.187 52.311 52.037 0.145 0.000 0.823 305 A CB 0.433 19.539 19.000 0.177 0.000 1.097 305 A HN 0.311 nan 8.150 nan 0.000 0.491 306 S N 0.960 116.715 115.700 0.092 0.000 2.382 306 S HA -0.134 4.336 4.470 -0.000 0.000 0.228 306 S C 0.632 175.258 174.600 0.042 0.000 1.027 306 S CA 1.401 59.636 58.200 0.059 0.000 0.991 306 S CB -0.375 62.864 63.200 0.065 0.000 0.823 306 S HN 0.812 nan 8.310 nan 0.000 0.469 307 N N 1.283 120.009 118.700 0.042 0.000 2.549 307 N HA 0.296 5.036 4.740 -0.000 0.000 0.281 307 N C -2.619 172.873 175.510 -0.031 0.000 1.084 307 N CA -1.763 51.309 53.050 0.035 0.000 0.862 307 N CB 1.863 40.396 38.487 0.078 0.000 1.333 307 N HN 0.006 nan 8.380 nan 0.000 0.523 308 P HA -0.046 nan 4.420 nan 0.000 0.241 308 P C 0.383 177.512 177.300 -0.284 0.000 1.191 308 P CA 0.689 63.639 63.100 -0.250 0.000 0.771 308 P CB 0.248 31.741 31.700 -0.345 0.000 0.929 309 H N -0.127 118.929 119.070 -0.023 0.000 2.436 309 H HA 0.035 4.591 4.556 -0.000 0.000 0.294 309 H C 0.296 175.604 175.328 -0.034 0.000 1.048 309 H CA 0.816 56.844 56.048 -0.033 0.000 1.353 309 H CB -0.251 29.492 29.762 -0.032 0.000 1.414 309 H HN 0.247 nan 8.280 nan 0.000 0.536 310 D N 1.312 121.759 120.400 0.079 0.000 2.347 310 D HA 0.104 4.744 4.640 -0.000 0.000 0.235 310 D C -1.682 174.628 176.300 0.017 0.000 1.149 310 D CA -2.101 51.922 54.000 0.038 0.000 0.850 310 D CB 1.693 42.520 40.800 0.045 0.000 1.061 310 D HN -0.108 nan 8.370 nan 0.000 0.487 311 P HA -0.254 nan 4.420 nan 0.000 0.217 311 P C 1.083 178.396 177.300 0.022 0.000 1.158 311 P CA 1.255 64.352 63.100 -0.004 0.000 0.887 311 P CB 0.211 31.892 31.700 -0.033 0.000 0.792 312 Q N -0.976 118.839 119.800 0.026 0.000 2.172 312 Q HA -0.098 4.242 4.340 -0.000 0.000 0.200 312 Q C 1.908 177.934 176.000 0.043 0.000 0.964 312 Q CA 1.926 57.754 55.803 0.042 0.000 0.855 312 Q CB -1.384 27.389 28.738 0.058 0.000 0.918 312 Q HN 0.122 nan 8.270 nan 0.000 0.444 313 T N 1.361 115.941 114.554 0.044 0.000 2.665 313 T HA -0.263 4.087 4.350 -0.000 0.000 0.268 313 T C 1.579 176.322 174.700 0.072 0.000 1.035 313 T CA 1.969 64.100 62.100 0.051 0.000 1.151 313 T CB -0.357 68.545 68.868 0.056 0.000 0.862 313 T HN 0.609 nan 8.240 nan 0.000 0.438 314 R N 1.577 122.134 120.500 0.095 0.000 2.096 314 R HA -0.048 4.292 4.340 -0.000 0.000 0.235 314 R C 2.182 178.496 176.300 0.023 0.000 1.127 314 R CA 1.404 57.591 56.100 0.146 0.000 0.968 314 R CB -0.340 30.077 30.300 0.195 0.000 0.861 314 R HN 0.308 nan 8.270 nan 0.000 0.440 315 K N 0.470 120.912 120.400 0.070 0.000 2.026 315 K HA -0.054 4.266 4.320 -0.000 0.000 0.208 315 K C 2.223 178.842 176.600 0.033 0.000 1.048 315 K CA 2.087 58.447 56.287 0.121 0.000 0.929 315 K CB -0.241 32.334 32.500 0.125 0.000 0.713 315 K HN 0.204 nan 8.250 nan 0.000 0.439 316 T N 1.596 116.142 114.554 -0.013 0.000 2.652 316 T HA -0.156 4.194 4.350 -0.000 0.000 0.267 316 T C 1.655 176.305 174.700 -0.084 0.000 1.039 316 T CA 1.535 63.595 62.100 -0.066 0.000 1.153 316 T CB -0.207 68.633 68.868 -0.047 0.000 0.863 316 T HN 0.330 nan 8.240 nan 0.000 0.428 317 E N 0.498 120.669 120.200 -0.048 0.000 2.153 317 E HA -0.093 4.257 4.350 -0.000 0.000 0.194 317 E C 2.130 178.645 176.600 -0.141 0.000 0.988 317 E CA 0.680 57.063 56.400 -0.029 0.000 0.811 317 E CB -0.217 29.554 29.700 0.119 0.000 0.746 317 E HN 0.222 nan 8.360 nan 0.000 0.466 318 L N 1.629 122.623 121.223 -0.382 0.000 2.056 318 L HA -0.129 4.211 4.340 -0.000 0.000 0.207 318 L C 1.803 178.626 176.870 -0.079 0.000 1.078 318 L CA 1.808 56.361 54.840 -0.477 0.000 0.749 318 L CB -0.145 41.532 42.059 -0.637 0.000 0.901 318 L HN -0.130 nan 8.230 nan 0.000 0.433 319 K N -0.833 119.563 120.400 -0.006 0.000 2.057 319 K HA -0.174 4.146 4.320 -0.000 0.000 0.207 319 K C 2.075 178.527 176.600 -0.247 0.000 1.049 319 K CA 1.773 58.025 56.287 -0.059 0.000 0.931 319 K CB -0.171 32.158 32.500 -0.285 0.000 0.714 319 K HN 0.515 nan 8.250 nan 0.000 0.440 320 Q N 0.336 120.008 119.800 -0.213 0.000 2.119 320 Q HA -0.127 4.213 4.340 -0.000 0.000 0.201 320 Q C 2.146 178.094 176.000 -0.087 0.000 0.972 320 Q CA 1.284 56.981 55.803 -0.178 0.000 0.847 320 Q CB -0.102 28.564 28.738 -0.120 0.000 0.903 320 Q HN 0.353 nan 8.270 nan 0.000 0.433 321 M N 0.569 120.139 119.600 -0.051 0.000 2.086 321 M HA -0.197 4.283 4.480 -0.000 0.000 0.261 321 M C 1.948 178.221 176.300 -0.046 0.000 1.067 321 M CA 1.632 56.919 55.300 -0.022 0.000 1.116 321 M CB -0.015 32.593 32.600 0.014 0.000 1.348 321 M HN 0.187 nan 8.290 nan 0.000 0.407 322 I N 0.396 120.943 120.570 -0.038 0.000 2.226 322 I HA -0.313 3.857 4.170 -0.000 0.000 0.245 322 I C 2.126 178.153 176.117 -0.150 0.000 1.100 322 I CA 1.476 62.719 61.300 -0.096 0.000 1.374 322 I CB -0.702 37.335 38.000 0.062 0.000 1.057 322 I HN 0.448 nan 8.210 nan 0.000 0.413 323 N N 0.434 119.159 118.700 0.041 0.000 2.188 323 N HA -0.154 4.586 4.740 -0.000 0.000 0.184 323 N C 1.716 177.289 175.510 0.105 0.000 1.018 323 N CA 1.801 54.939 53.050 0.148 0.000 0.858 323 N CB -0.067 38.406 38.487 -0.023 0.000 0.989 323 N HN 0.161 nan 8.380 nan 0.000 0.426 324 T N 0.604 115.187 114.554 0.048 0.000 2.821 324 T HA -0.034 4.316 4.350 -0.000 0.000 0.267 324 T C 1.864 176.671 174.700 0.178 0.000 1.046 324 T CA 0.819 62.991 62.100 0.119 0.000 1.139 324 T CB -0.234 68.671 68.868 0.062 0.000 0.871 324 T HN 0.164 nan 8.240 nan 0.000 0.454 325 L N 0.023 121.274 121.223 0.046 0.000 2.017 325 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 325 L C 2.538 179.495 176.870 0.145 0.000 1.073 325 L CA 1.643 56.503 54.840 0.033 0.000 0.745 325 L CB -0.624 41.384 42.059 -0.086 0.000 0.894 325 L HN 0.452 nan 8.230 nan 0.000 0.432 326 H N -0.868 118.254 119.070 0.088 0.000 2.319 326 H HA -0.206 4.350 4.556 -0.000 0.000 0.299 326 H C 2.363 177.728 175.328 0.062 0.000 1.092 326 H CA 1.130 57.218 56.048 0.066 0.000 1.302 326 H CB 0.084 29.903 29.762 0.095 0.000 1.373 326 H HN 0.403 nan 8.280 nan 0.000 0.497 327 Q N -0.031 119.897 119.800 0.213 0.000 2.248 327 Q HA -0.150 4.190 4.340 -0.000 0.000 0.208 327 Q C 0.839 176.779 176.000 -0.099 0.000 0.984 327 Q CA 1.017 56.852 55.803 0.052 0.000 0.875 327 Q CB 0.143 28.901 28.738 0.033 0.000 0.910 327 Q HN 0.696 nan 8.270 nan 0.000 0.433 328 H N -1.587 117.512 119.070 0.049 0.000 2.507 328 H HA 0.185 4.741 4.556 -0.000 0.000 0.294 328 H C 0.925 176.265 175.328 0.020 0.000 1.064 328 H CA 0.485 56.549 56.048 0.025 0.000 1.138 328 H CB 0.775 30.545 29.762 0.014 0.000 1.515 328 H HN 0.441 nan 8.280 nan 0.000 0.547 329 G N 1.377 110.232 108.800 0.092 0.000 2.155 329 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.257 329 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.257 329 G C 0.184 175.117 174.900 0.054 0.000 0.983 329 G CA 0.119 45.255 45.100 0.061 0.000 0.676 329 G HN 0.302 nan 8.290 nan 0.000 0.528 330 L N -0.016 121.251 121.223 0.072 0.000 2.307 330 L HA 0.646 4.986 4.340 -0.000 0.000 0.282 330 L C 1.032 177.907 176.870 0.007 0.000 1.051 330 L CA -0.970 53.871 54.840 0.002 0.000 0.804 330 L CB 1.256 43.310 42.059 -0.010 0.000 1.197 330 L HN 0.095 nan 8.230 nan 0.000 0.431 331 R N 1.424 121.811 120.500 -0.188 0.000 2.674 331 R HA 0.736 5.076 4.340 -0.000 0.000 0.266 331 R C -1.163 175.019 176.300 -0.195 0.000 1.016 331 R CA -0.869 55.092 56.100 -0.232 0.000 1.062 331 R CB 2.221 32.085 30.300 -0.728 0.000 1.142 331 R HN 0.289 nan 8.270 nan 0.000 0.517 332 V N 3.000 122.851 119.914 -0.106 0.000 2.540 332 V HA 0.455 4.574 4.120 -0.000 0.000 0.302 332 V C -0.283 175.737 176.094 -0.123 0.000 1.035 332 V CA -0.653 61.579 62.300 -0.112 0.000 0.873 332 V CB 1.824 33.561 31.823 -0.143 0.000 0.992 332 V HN 0.553 nan 8.190 nan 0.000 0.428 333 I N 5.123 125.621 120.570 -0.120 0.000 2.433 333 I HA 0.429 4.599 4.170 -0.000 0.000 0.292 333 I C -1.090 174.848 176.117 -0.299 0.000 1.001 333 I CA -0.764 60.418 61.300 -0.197 0.000 1.119 333 I CB 1.908 39.898 38.000 -0.016 0.000 1.289 333 I HN 0.299 nan 8.210 nan 0.000 0.438 334 L N 5.463 126.382 121.223 -0.506 0.000 2.282 334 L HA 0.349 4.689 4.340 -0.000 0.000 0.288 334 L C -0.026 176.621 176.870 -0.371 0.000 1.033 334 L CA -0.222 54.344 54.840 -0.457 0.000 0.807 334 L CB 1.000 42.711 42.059 -0.580 0.000 1.209 334 L HN 0.444 nan 8.230 nan 0.000 0.423 335 D N 2.943 123.158 120.400 -0.307 0.000 2.343 335 D HA 0.308 4.948 4.640 -0.000 0.000 0.255 335 D C -0.699 175.412 176.300 -0.314 0.000 1.187 335 D CA -0.012 53.835 54.000 -0.255 0.000 0.875 335 D CB 1.002 41.693 40.800 -0.181 0.000 1.136 335 D HN 0.254 nan 8.370 nan 0.000 0.469 336 V N 1.476 121.174 119.914 -0.359 0.000 2.715 336 V HA 0.591 4.711 4.120 -0.000 0.000 0.310 336 V C 0.051 175.921 176.094 -0.374 0.000 1.054 336 V CA -0.922 61.079 62.300 -0.498 0.000 0.928 336 V CB 1.901 33.311 31.823 -0.688 0.000 1.007 336 V HN 0.222 nan 8.190 nan 0.000 0.437 337 V N 3.899 123.584 119.914 -0.382 0.000 2.233 337 V HA 0.351 4.471 4.120 -0.000 0.000 0.261 337 V C -0.122 176.003 176.094 0.050 0.000 1.076 337 V CA 0.074 62.339 62.300 -0.059 0.000 1.001 337 V CB -0.331 31.526 31.823 0.057 0.000 1.206 337 V HN 0.844 nan 8.190 nan 0.000 0.468 338 F N 1.971 122.087 119.950 0.277 0.000 2.664 338 F HA 0.168 4.695 4.527 -0.000 0.000 0.301 338 F C 1.902 177.803 175.800 0.169 0.000 1.126 338 F CA -0.334 57.769 58.000 0.171 0.000 1.373 338 F CB -0.283 38.791 39.000 0.123 0.000 1.042 338 F HN 0.534 nan 8.300 nan 0.000 0.535 339 N N 0.301 119.215 118.700 0.357 0.000 2.356 339 N HA -0.009 4.731 4.740 -0.000 0.000 0.178 339 N C 0.203 175.964 175.510 0.419 0.000 1.075 339 N CA 0.541 53.788 53.050 0.328 0.000 0.889 339 N CB 0.007 38.670 38.487 0.292 0.000 0.999 339 N HN 0.486 nan 8.380 nan 0.000 0.464 340 H N -1.789 117.484 119.070 0.338 0.000 2.917 340 H HA 0.564 5.120 4.556 -0.000 0.000 0.299 340 H C -1.360 174.263 175.328 0.492 0.000 1.418 340 H CA -1.045 55.238 56.048 0.392 0.000 1.138 340 H CB 1.298 31.229 29.762 0.282 0.000 1.830 340 H HN -0.069 nan 8.280 nan 0.000 0.514 341 V N -1.640 118.521 119.914 0.411 0.000 3.102 341 V HA 0.491 4.611 4.120 -0.000 0.000 0.312 341 V C -0.993 175.298 176.094 0.329 0.000 1.135 341 V CA -1.185 61.294 62.300 0.299 0.000 1.022 341 V CB 1.763 33.872 31.823 0.476 0.000 1.056 341 V HN 0.959 nan 8.190 nan 0.000 0.436 342 Y N 2.176 122.533 120.300 0.095 0.000 2.335 342 Y HA 0.423 4.973 4.550 -0.000 0.000 0.331 342 Y C 0.930 176.877 175.900 0.078 0.000 1.094 342 Y CA 0.050 58.213 58.100 0.104 0.000 1.253 342 Y CB 0.455 38.936 38.460 0.035 0.000 1.203 342 Y HN 0.898 nan 8.280 nan 0.000 0.508 343 K N 5.257 125.387 120.400 -0.450 0.000 4.856 343 K HA -0.334 3.986 4.320 -0.000 0.000 0.306 343 K C 1.244 177.754 176.600 -0.149 0.000 0.895 343 K CA 0.863 56.937 56.287 -0.354 0.000 0.963 343 K CB -0.402 31.838 32.500 -0.434 0.000 1.737 343 K HN 0.894 nan 8.250 nan 0.000 0.424 344 R N 1.999 122.393 120.500 -0.176 0.000 2.133 344 R HA -0.287 4.053 4.340 -0.000 0.000 0.245 344 R C 1.187 177.381 176.300 -0.177 0.000 1.137 344 R CA 2.564 58.473 56.100 -0.318 0.000 0.947 344 R CB 0.014 29.914 30.300 -0.667 0.000 0.865 344 R HN 0.504 nan 8.270 nan 0.000 0.437 345 E N 0.521 120.639 120.200 -0.137 0.000 2.147 345 E HA -0.182 4.168 4.350 -0.000 0.000 0.199 345 E C 1.056 177.664 176.600 0.013 0.000 1.005 345 E CA 1.673 58.043 56.400 -0.050 0.000 0.810 345 E CB -0.196 29.475 29.700 -0.048 0.000 0.736 345 E HN 0.505 nan 8.360 nan 0.000 0.460 346 N N 0.294 119.000 118.700 0.009 0.000 2.214 346 N HA 0.050 4.790 4.740 -0.000 0.000 0.214 346 N C -0.408 175.151 175.510 0.083 0.000 1.132 346 N CA 0.234 53.313 53.050 0.048 0.000 0.856 346 N CB 0.494 38.999 38.487 0.029 0.000 1.020 346 N HN 0.133 nan 8.380 nan 0.000 0.509 347 S N 0.661 116.429 115.700 0.113 0.000 2.585 347 S HA 0.268 4.738 4.470 -0.000 0.000 0.273 347 S C -1.624 173.076 174.600 0.166 0.000 1.339 347 S CA -0.804 57.484 58.200 0.147 0.000 1.028 347 S CB 1.661 65.021 63.200 0.267 0.000 0.906 347 S HN -0.167 nan 8.310 nan 0.000 0.528 348 P HA -0.077 nan 4.420 nan 0.000 0.216 348 P C 1.023 178.445 177.300 0.202 0.000 1.150 348 P CA 1.062 64.222 63.100 0.099 0.000 0.837 348 P CB -0.085 31.621 31.700 0.011 0.000 0.786 349 F N 0.113 120.142 119.950 0.131 0.000 2.046 349 F HA -0.177 4.350 4.527 -0.000 0.000 0.297 349 F C 2.444 178.507 175.800 0.438 0.000 1.123 349 F CA 1.378 59.443 58.000 0.108 0.000 1.199 349 F CB -1.497 37.476 39.000 -0.046 0.000 0.972 349 F HN -0.036 nan 8.300 nan 0.000 0.474 350 E N 0.468 121.073 120.200 0.674 0.000 2.106 350 E HA -0.153 4.197 4.350 -0.000 0.000 0.192 350 E C 1.914 178.709 176.600 0.325 0.000 0.984 350 E CA 1.364 58.066 56.400 0.503 0.000 0.806 350 E CB -0.209 29.711 29.700 0.367 0.000 0.750 350 E HN 0.271 nan 8.360 nan 0.000 0.458 351 K N -0.958 119.606 120.400 0.273 0.000 2.366 351 K HA 0.015 4.335 4.320 -0.000 0.000 0.198 351 K C 1.701 178.415 176.600 0.190 0.000 1.044 351 K CA 1.308 57.712 56.287 0.195 0.000 0.973 351 K CB 0.227 32.828 32.500 0.169 0.000 0.767 351 K HN 0.107 nan 8.250 nan 0.000 0.475 352 T N 0.044 114.756 114.554 0.263 0.000 2.953 352 T HA 0.040 4.390 4.350 -0.000 0.000 0.247 352 T C 0.618 175.429 174.700 0.185 0.000 1.029 352 T CA 0.507 62.749 62.100 0.237 0.000 1.144 352 T CB 0.473 69.548 68.868 0.344 0.000 0.870 352 T HN -0.159 nan 8.240 nan 0.000 0.446 353 V N 3.275 123.372 119.914 0.304 0.000 2.465 353 V HA 0.321 4.441 4.120 -0.000 0.000 0.263 353 V C -2.908 173.341 176.094 0.259 0.000 0.981 353 V CA -2.209 60.194 62.300 0.171 0.000 0.838 353 V CB 0.937 32.803 31.823 0.070 0.000 1.068 353 V HN 0.121 nan 8.190 nan 0.000 0.458 354 P HA 0.146 nan 4.420 nan 0.000 0.260 354 P C 1.228 178.643 177.300 0.193 0.000 1.172 354 P CA 1.783 65.003 63.100 0.200 0.000 0.760 354 P CB 0.563 32.331 31.700 0.113 0.000 0.773 355 G N 1.960 110.933 108.800 0.288 0.000 2.189 355 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.267 355 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.267 355 G C 0.758 175.810 174.900 0.254 0.000 0.975 355 G CA 0.550 45.819 45.100 0.282 0.000 0.644 355 G HN 0.562 nan 8.290 nan 0.000 0.537 356 Y N 0.138 120.475 120.300 0.062 0.000 2.230 356 Y HA 0.417 4.967 4.550 -0.000 0.000 0.294 356 Y C 2.182 177.897 175.900 -0.309 0.000 1.120 356 Y CA 1.642 59.642 58.100 -0.167 0.000 1.129 356 Y CB -0.088 38.165 38.460 -0.345 0.000 1.040 356 Y HN 0.142 nan 8.280 nan 0.000 0.519 357 F N -0.209 119.726 119.950 -0.025 0.000 2.802 357 F HA 0.124 4.650 4.527 -0.000 0.000 0.300 357 F C -0.542 174.716 175.800 -0.904 0.000 1.168 357 F CA 0.286 57.914 58.000 -0.619 0.000 1.433 357 F CB -0.428 37.911 39.000 -1.102 0.000 1.115 357 F HN -0.154 nan 8.300 nan 0.000 0.582 358 F N -0.899 119.067 119.950 0.028 0.000 2.576 358 F HA 0.519 5.046 4.527 -0.000 0.000 0.313 358 F C 0.389 176.083 175.800 -0.176 0.000 1.078 358 F CA -1.597 56.372 58.000 -0.052 0.000 0.921 358 F CB 1.172 40.141 39.000 -0.050 0.000 1.232 358 F HN -0.431 nan 8.300 nan 0.000 0.459 359 R N 0.551 121.047 120.500 -0.008 0.000 2.531 359 R HA 0.501 4.841 4.340 -0.000 0.000 0.273 359 R C -1.255 174.894 176.300 -0.251 0.000 1.070 359 R CA -0.735 55.337 56.100 -0.045 0.000 1.112 359 R CB 0.716 31.018 30.300 0.004 0.000 1.049 359 R HN 0.646 nan 8.270 nan 0.000 0.508 360 H N -0.533 118.563 119.070 0.043 0.000 2.747 360 H HA 0.148 4.704 4.556 -0.000 0.000 0.371 360 H C -0.603 174.736 175.328 0.018 0.000 1.161 360 H CA -0.929 55.139 56.048 0.032 0.000 1.167 360 H CB 1.282 31.055 29.762 0.019 0.000 1.732 360 H HN 0.620 nan 8.280 nan 0.000 0.544 361 D N 0.236 120.709 120.400 0.121 0.000 2.440 361 D HA -0.054 4.586 4.640 -0.000 0.000 0.269 361 D C 1.265 177.602 176.300 0.062 0.000 1.249 361 D CA -0.539 53.502 54.000 0.070 0.000 1.055 361 D CB 0.499 41.325 40.800 0.045 0.000 1.104 361 D HN 0.714 nan 8.370 nan 0.000 0.561 362 E N -0.764 119.458 120.200 0.036 0.000 2.333 362 E HA -0.150 4.200 4.350 -0.000 0.000 0.198 362 E C 0.906 177.515 176.600 0.015 0.000 1.007 362 E CA 0.644 57.057 56.400 0.022 0.000 0.845 362 E CB -0.714 28.994 29.700 0.012 0.000 0.766 362 E HN 0.392 nan 8.360 nan 0.000 0.507 363 C N 0.102 119.414 119.300 0.021 0.000 2.906 363 C HA 0.484 4.944 4.460 -0.000 0.000 0.274 363 C C 1.675 176.673 174.990 0.014 0.000 1.257 363 C CA 0.185 59.210 59.018 0.012 0.000 1.695 363 C CB -0.524 27.223 27.740 0.011 0.000 1.958 363 C HN 0.715 nan 8.230 nan 0.000 0.619 364 G N 1.105 109.926 108.800 0.034 0.000 2.217 364 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.246 364 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.246 364 G C 0.034 175.012 174.900 0.131 0.000 0.990 364 G CA 0.056 45.172 45.100 0.026 0.000 0.627 364 G HN 0.452 nan 8.290 nan 0.000 0.522 365 K N 1.537 122.006 120.400 0.116 0.000 2.237 365 K HA 0.530 4.850 4.320 -0.000 0.000 0.270 365 K C -2.338 174.335 176.600 0.121 0.000 1.015 365 K CA -1.973 54.384 56.287 0.116 0.000 0.949 365 K CB 0.542 33.072 32.500 0.050 0.000 0.976 365 K HN 0.055 nan 8.250 nan 0.000 0.472 366 P HA -0.026 nan 4.420 nan 0.000 0.262 366 P C -0.692 176.567 177.300 -0.069 0.000 1.199 366 P CA -0.034 62.984 63.100 -0.137 0.000 0.763 366 P CB 0.534 32.148 31.700 -0.144 0.000 0.790 367 S N 2.524 118.182 115.700 -0.069 0.000 2.572 367 S HA 0.058 4.528 4.470 -0.000 0.000 0.267 367 S C 0.530 175.128 174.600 -0.003 0.000 1.361 367 S CA -0.143 58.050 58.200 -0.012 0.000 1.009 367 S CB 0.190 63.393 63.200 0.006 0.000 0.888 367 S HN 0.462 nan 8.310 nan 0.000 0.553 368 N N -0.484 118.221 118.700 0.008 0.000 2.628 368 N HA 0.292 5.032 4.740 -0.000 0.000 0.299 368 N C 1.023 176.542 175.510 0.014 0.000 1.834 368 N CA 0.224 53.277 53.050 0.006 0.000 0.871 368 N CB -0.055 38.427 38.487 -0.009 0.000 1.377 368 N HN 0.703 nan 8.380 nan 0.000 0.493 369 G N -0.825 107.994 108.800 0.032 0.000 2.432 369 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.219 369 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.219 369 G C 1.407 176.331 174.900 0.041 0.000 1.135 369 G CA 1.644 46.769 45.100 0.041 0.000 0.767 369 G HN 0.499 nan 8.290 nan 0.000 0.550 370 T N -2.518 112.056 114.554 0.032 0.000 2.951 370 T HA 0.293 4.643 4.350 -0.000 0.000 0.268 370 T C 2.090 176.766 174.700 -0.041 0.000 1.073 370 T CA 1.123 63.226 62.100 0.005 0.000 1.134 370 T CB -0.215 68.639 68.868 -0.023 0.000 0.884 370 T HN 1.380 nan 8.240 nan 0.000 0.479 371 G N 0.617 109.392 108.800 -0.041 0.000 2.159 371 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.256 371 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.256 371 G C 0.715 175.562 174.900 -0.088 0.000 0.977 371 G CA 0.521 45.591 45.100 -0.050 0.000 0.652 371 G HN 1.515 nan 8.290 nan 0.000 0.531 372 V N -3.280 116.549 119.914 -0.142 0.000 3.319 372 V HA 0.712 4.832 4.120 -0.000 0.000 0.317 372 V C 1.629 177.660 176.094 -0.104 0.000 1.411 372 V CA 1.095 63.290 62.300 -0.175 0.000 1.112 372 V CB -0.056 31.529 31.823 -0.398 0.000 1.031 372 V HN 2.054 nan 8.190 nan 0.000 0.448 373 G N 0.829 109.588 108.800 -0.068 0.000 2.352 373 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.204 373 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.204 373 G C -0.070 174.809 174.900 -0.036 0.000 1.004 373 G CA 0.135 45.206 45.100 -0.048 0.000 0.648 373 G HN 1.032 nan 8.290 nan 0.000 0.491 374 N N 0.194 118.908 118.700 0.023 0.000 2.859 374 N HA 0.496 5.236 4.740 -0.000 0.000 0.250 374 N C -2.654 172.988 175.510 0.220 0.000 1.341 374 N CA -0.645 52.457 53.050 0.086 0.000 0.881 374 N CB 1.622 40.120 38.487 0.020 0.000 1.516 374 N HN -0.067 nan 8.380 nan 0.000 0.503 375 D N 1.099 121.654 120.400 0.259 0.000 2.593 375 D HA 0.441 5.081 4.640 -0.000 0.000 0.251 375 D C 0.052 176.516 176.300 0.273 0.000 1.140 375 D CA -0.285 53.858 54.000 0.238 0.000 0.855 375 D CB 2.021 42.895 40.800 0.124 0.000 1.267 375 D HN 0.431 nan 8.370 nan 0.000 0.532 376 I N 1.465 122.170 120.570 0.225 0.000 2.618 376 I HA 0.078 4.248 4.170 -0.000 0.000 0.284 376 I C 0.952 177.035 176.117 -0.056 0.000 1.146 376 I CA -0.145 61.151 61.300 -0.006 0.000 1.425 376 I CB 0.838 38.846 38.000 0.013 0.000 1.383 376 I HN 0.400 nan 8.210 nan 0.000 0.562 377 A N 5.269 127.988 122.820 -0.169 0.000 3.063 377 A HA 0.135 4.455 4.320 -0.000 0.000 0.263 377 A C 1.565 179.052 177.584 -0.161 0.000 1.736 377 A CA 0.036 51.980 52.037 -0.154 0.000 1.408 377 A CB -0.541 18.325 19.000 -0.224 0.000 1.108 377 A HN 0.917 nan 8.150 nan 0.000 0.621 378 S N 1.099 116.743 115.700 -0.092 0.000 2.420 378 S HA -0.250 4.220 4.470 -0.000 0.000 0.237 378 S C 1.595 176.138 174.600 -0.094 0.000 1.023 378 S CA 1.368 59.523 58.200 -0.076 0.000 0.991 378 S CB -0.259 62.917 63.200 -0.039 0.000 0.792 378 S HN 0.825 nan 8.310 nan 0.000 0.488 379 E N 1.806 121.944 120.200 -0.103 0.000 2.268 379 E HA -0.095 4.255 4.350 -0.000 0.000 0.195 379 E C 0.676 177.197 176.600 -0.132 0.000 0.995 379 E CA 0.312 56.648 56.400 -0.107 0.000 0.836 379 E CB -0.421 29.227 29.700 -0.087 0.000 0.763 379 E HN 0.502 nan 8.360 nan 0.000 0.491 380 R N 1.174 121.563 120.500 -0.185 0.000 2.537 380 R HA 0.145 4.485 4.340 -0.000 0.000 0.280 380 R C 1.570 177.828 176.300 -0.069 0.000 1.058 380 R CA 0.059 56.033 56.100 -0.210 0.000 1.057 380 R CB 0.602 30.535 30.300 -0.610 0.000 0.973 380 R HN 0.088 nan 8.270 nan 0.000 0.438 381 R N 2.032 122.532 120.500 -0.000 0.000 2.117 381 R HA -0.183 4.157 4.340 -0.000 0.000 0.243 381 R C 1.454 177.819 176.300 0.107 0.000 1.143 381 R CA 1.405 57.490 56.100 -0.025 0.000 0.968 381 R CB -0.116 30.139 30.300 -0.076 0.000 0.863 381 R HN 0.529 nan 8.270 nan 0.000 0.444 382 M N -0.536 119.162 119.600 0.162 0.000 2.492 382 M HA 0.060 4.540 4.480 -0.000 0.000 0.262 382 M C 2.060 178.559 176.300 0.332 0.000 1.090 382 M CA 0.717 56.052 55.300 0.059 0.000 1.110 382 M CB -0.404 31.820 32.600 -0.626 0.000 1.407 382 M HN 0.171 nan 8.290 nan 0.000 0.470 383 A N 0.092 123.095 122.820 0.305 0.000 1.903 383 A HA -0.090 4.230 4.320 -0.000 0.000 0.213 383 A C 2.317 179.989 177.584 0.148 0.000 1.185 383 A CA 1.086 53.273 52.037 0.250 0.000 0.628 383 A CB -0.475 18.559 19.000 0.058 0.000 0.830 383 A HN 0.445 nan 8.150 nan 0.000 0.446 384 R N 0.283 120.816 120.500 0.054 0.000 2.096 384 R HA -0.147 4.193 4.340 -0.000 0.000 0.235 384 R C 2.187 178.533 176.300 0.077 0.000 1.127 384 R CA 1.910 58.002 56.100 -0.014 0.000 0.968 384 R CB -0.265 29.940 30.300 -0.158 0.000 0.861 384 R HN 0.497 nan 8.270 nan 0.000 0.440 385 K N -0.248 120.243 120.400 0.151 0.000 2.025 385 K HA -0.195 4.125 4.320 -0.000 0.000 0.207 385 K C 1.961 178.745 176.600 0.307 0.000 1.049 385 K CA 1.582 58.026 56.287 0.263 0.000 0.933 385 K CB -0.341 32.342 32.500 0.304 0.000 0.714 385 K HN 0.190 nan 8.250 nan 0.000 0.438 386 F N 1.895 121.962 119.950 0.195 0.000 2.095 386 F HA -0.210 4.317 4.527 -0.000 0.000 0.298 386 F C 1.865 177.675 175.800 0.017 0.000 1.104 386 F CA 1.634 59.746 58.000 0.187 0.000 1.232 386 F CB -0.170 38.923 39.000 0.156 0.000 0.987 386 F HN -0.010 nan 8.300 nan 0.000 0.475 387 I N 0.161 120.748 120.570 0.028 0.000 2.179 387 I HA -0.321 3.849 4.170 -0.000 0.000 0.242 387 I C 2.704 178.586 176.117 -0.391 0.000 1.088 387 I CA 1.286 62.288 61.300 -0.497 0.000 1.357 387 I CB -0.946 36.768 38.000 -0.477 0.000 1.051 387 I HN 0.265 nan 8.210 nan 0.000 0.409 388 A N 0.389 123.154 122.820 -0.092 0.000 1.902 388 A HA -0.237 4.083 4.320 -0.000 0.000 0.217 388 A C 1.959 179.549 177.584 0.010 0.000 1.181 388 A CA 2.053 54.082 52.037 -0.013 0.000 0.623 388 A CB -0.623 18.487 19.000 0.182 0.000 0.818 388 A HN 0.332 nan 8.150 nan 0.000 0.443 389 D N -0.712 119.748 120.400 0.098 0.000 2.104 389 D HA -0.153 4.487 4.640 -0.000 0.000 0.194 389 D C 1.983 178.406 176.300 0.205 0.000 0.994 389 D CA 1.366 55.502 54.000 0.226 0.000 0.830 389 D CB -0.778 40.273 40.800 0.418 0.000 0.959 389 D HN 0.431 nan 8.370 nan 0.000 0.452 390 C N 0.091 119.334 119.300 -0.096 0.000 2.432 390 C HA -0.107 4.353 4.460 -0.000 0.000 0.277 390 C C 2.853 177.876 174.990 0.054 0.000 1.249 390 C CA 0.541 59.315 59.018 -0.407 0.000 1.725 390 C CB -0.905 26.481 27.740 -0.591 0.000 2.028 390 C HN 0.126 nan 8.230 nan 0.000 0.477 391 V N 0.544 120.413 119.914 -0.075 0.000 2.287 391 V HA -0.192 3.928 4.120 -0.000 0.000 0.248 391 V C 2.488 178.618 176.094 0.060 0.000 1.053 391 V CA 2.337 64.512 62.300 -0.209 0.000 1.027 391 V CB -0.706 30.866 31.823 -0.419 0.000 0.646 391 V HN 0.520 nan 8.190 nan 0.000 0.447 392 V N -0.892 119.075 119.914 0.088 0.000 2.343 392 V HA -0.303 3.817 4.120 -0.000 0.000 0.247 392 V C 2.197 178.423 176.094 0.219 0.000 1.051 392 V CA 2.508 64.894 62.300 0.143 0.000 1.036 392 V CB -0.799 31.092 31.823 0.114 0.000 0.654 392 V HN 0.692 nan 8.190 nan 0.000 0.451 393 Y N -0.438 119.952 120.300 0.150 0.000 2.145 393 Y HA -0.247 4.303 4.550 -0.000 0.000 0.286 393 Y C 2.115 178.085 175.900 0.117 0.000 1.145 393 Y CA 1.510 59.687 58.100 0.128 0.000 1.148 393 Y CB -0.458 38.105 38.460 0.172 0.000 0.981 393 Y HN 0.286 nan 8.280 nan 0.000 0.507 394 W N 0.284 121.672 121.300 0.146 0.000 2.374 394 W HA -0.149 4.511 4.660 -0.000 0.000 0.288 394 W C 2.219 178.821 176.519 0.139 0.000 1.218 394 W CA 1.376 58.816 57.345 0.158 0.000 1.245 394 W CB -0.445 29.204 29.460 0.316 0.000 1.126 394 W HN 0.099 nan 8.180 nan 0.000 0.545 395 L N -0.292 121.148 121.223 0.361 0.000 2.005 395 L HA -0.175 4.165 4.340 -0.000 0.000 0.207 395 L C 2.334 179.202 176.870 -0.004 0.000 1.072 395 L CA 1.487 56.446 54.840 0.200 0.000 0.744 395 L CB -0.762 41.433 42.059 0.226 0.000 0.895 395 L HN -0.016 nan 8.230 nan 0.000 0.433 396 E N -0.301 119.875 120.200 -0.041 0.000 2.028 396 E HA -0.255 4.095 4.350 -0.000 0.000 0.191 396 E C 2.047 178.495 176.600 -0.254 0.000 0.988 396 E CA 1.237 57.561 56.400 -0.126 0.000 0.799 396 E CB 0.027 29.698 29.700 -0.048 0.000 0.755 396 E HN 0.293 nan 8.360 nan 0.000 0.447 397 E N 0.085 120.042 120.200 -0.405 0.000 2.107 397 E HA -0.127 4.223 4.350 -0.000 0.000 0.191 397 E C 0.941 177.203 176.600 -0.563 0.000 0.982 397 E CA 1.167 57.219 56.400 -0.580 0.000 0.809 397 E CB 0.009 29.021 29.700 -1.146 0.000 0.756 397 E HN 0.306 nan 8.360 nan 0.000 0.459 398 Y N -0.371 119.787 120.300 -0.238 0.000 2.467 398 Y HA 0.270 4.820 4.550 -0.000 0.000 0.250 398 Y C 0.574 176.377 175.900 -0.162 0.000 1.155 398 Y CA 0.094 58.193 58.100 -0.002 0.000 1.249 398 Y CB 0.262 38.807 38.460 0.141 0.000 1.146 398 Y HN -0.028 nan 8.280 nan 0.000 0.524 399 N N 0.554 119.076 118.700 -0.296 0.000 2.708 399 N HA -0.176 4.564 4.740 -0.000 0.000 0.249 399 N C -0.244 175.248 175.510 -0.030 0.000 1.097 399 N CA 0.788 53.617 53.050 -0.368 0.000 0.710 399 N CB -1.281 36.596 38.487 -1.017 0.000 1.032 399 N HN 0.233 nan 8.380 nan 0.000 0.551 400 V N -3.228 116.697 119.914 0.019 0.000 3.441 400 V HA 0.338 4.458 4.120 -0.000 0.000 0.300 400 V C 1.150 177.218 176.094 -0.044 0.000 1.091 400 V CA 0.456 62.739 62.300 -0.028 0.000 1.099 400 V CB 1.053 32.767 31.823 -0.181 0.000 1.138 400 V HN 0.189 nan 8.190 nan 0.000 0.471 401 D N 0.434 120.782 120.400 -0.087 0.000 2.469 401 D HA 0.446 5.086 4.640 -0.000 0.000 0.215 401 D C 0.527 176.808 176.300 -0.031 0.000 1.154 401 D CA 1.001 54.983 54.000 -0.030 0.000 0.832 401 D CB 1.181 41.974 40.800 -0.011 0.000 1.008 401 D HN 1.079 nan 8.370 nan 0.000 0.506 402 G N 0.372 109.025 108.800 -0.245 0.000 2.321 402 G HA2 0.377 4.337 3.960 -0.000 0.000 0.298 402 G HA3 0.377 4.337 3.960 -0.000 0.000 0.298 402 G C -2.055 172.462 174.900 -0.638 0.000 1.385 402 G CA -0.942 44.050 45.100 -0.180 0.000 0.856 402 G HN -0.018 nan 8.290 nan 0.000 0.584 403 F N -0.059 119.755 119.950 -0.226 0.000 2.591 403 F HA 0.744 5.271 4.527 -0.000 0.000 0.309 403 F C 0.198 175.496 175.800 -0.836 0.000 1.098 403 F CA -0.944 56.741 58.000 -0.525 0.000 0.937 403 F CB 2.592 41.169 39.000 -0.705 0.000 1.250 403 F HN 0.423 nan 8.300 nan 0.000 0.447 404 R N 3.079 123.165 120.500 -0.689 0.000 2.288 404 R HA 0.406 4.746 4.340 -0.000 0.000 0.326 404 R C -1.897 174.110 176.300 -0.489 0.000 0.959 404 R CA -0.456 55.173 56.100 -0.785 0.000 0.834 404 R CB 0.373 30.397 30.300 -0.460 0.000 1.157 404 R HN 0.586 nan 8.270 nan 0.000 0.470 405 F N 3.083 122.897 119.950 -0.227 0.000 2.404 405 F HA 0.114 4.641 4.527 -0.000 0.000 0.359 405 F C 0.907 176.662 175.800 -0.075 0.000 1.134 405 F CA -0.384 57.562 58.000 -0.090 0.000 1.160 405 F CB 0.647 39.608 39.000 -0.064 0.000 1.186 405 F HN 0.479 nan 8.300 nan 0.000 0.526 406 D N 4.058 124.503 120.400 0.075 0.000 2.458 406 D HA 0.090 4.730 4.640 -0.000 0.000 0.243 406 D C 0.560 176.888 176.300 0.048 0.000 1.146 406 D CA 0.246 54.268 54.000 0.036 0.000 0.877 406 D CB 0.510 41.370 40.800 0.100 0.000 1.176 406 D HN 0.595 nan 8.370 nan 0.000 0.461 407 L N 3.621 124.799 121.223 -0.076 0.000 3.739 407 L HA -0.257 4.083 4.340 -0.000 0.000 0.442 407 L C 1.488 178.362 176.870 0.006 0.000 1.241 407 L CA -0.235 54.566 54.840 -0.065 0.000 0.819 407 L CB -1.131 40.949 42.059 0.036 0.000 1.679 407 L HN 0.732 nan 8.230 nan 0.000 0.889 408 L N 0.570 121.781 121.223 -0.021 0.000 2.089 408 L HA -0.204 4.136 4.340 -0.000 0.000 0.213 408 L C 2.272 179.155 176.870 0.021 0.000 1.079 408 L CA 2.328 57.177 54.840 0.013 0.000 0.758 408 L CB -0.258 41.777 42.059 -0.040 0.000 0.891 408 L HN 0.697 nan 8.230 nan 0.000 0.433 409 G N -0.457 108.361 108.800 0.030 0.000 2.586 409 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.215 409 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.215 409 G C 1.359 176.297 174.900 0.063 0.000 1.128 409 G CA 0.193 45.336 45.100 0.071 0.000 0.774 409 G HN 0.335 nan 8.290 nan 0.000 0.543 410 I N -0.105 120.505 120.570 0.065 0.000 3.030 410 I HA 0.187 4.357 4.170 -0.000 0.000 0.270 410 I C 0.777 176.928 176.117 0.057 0.000 1.211 410 I CA 0.013 61.358 61.300 0.074 0.000 1.479 410 I CB -0.570 37.494 38.000 0.107 0.000 1.105 410 I HN -0.006 nan 8.210 nan 0.000 0.447 411 L N 1.836 123.085 121.223 0.043 0.000 2.418 411 L HA 0.113 4.453 4.340 -0.000 0.000 0.265 411 L C 0.656 177.518 176.870 -0.013 0.000 1.143 411 L CA 0.007 54.854 54.840 0.010 0.000 0.809 411 L CB 0.170 42.215 42.059 -0.022 0.000 1.124 411 L HN 0.198 nan 8.230 nan 0.000 0.456 412 D N 1.572 121.954 120.400 -0.030 0.000 2.264 412 D HA 0.124 4.764 4.640 -0.000 0.000 0.249 412 D C 1.192 177.466 176.300 -0.044 0.000 1.070 412 D CA -0.432 53.547 54.000 -0.034 0.000 0.912 412 D CB 1.356 42.131 40.800 -0.043 0.000 1.193 412 D HN 0.406 nan 8.370 nan 0.000 0.427 413 I N 0.647 121.197 120.570 -0.033 0.000 2.163 413 I HA -0.303 3.867 4.170 -0.000 0.000 0.243 413 I C 1.637 177.735 176.117 -0.031 0.000 1.085 413 I CA 1.304 62.587 61.300 -0.028 0.000 1.347 413 I CB -0.247 37.745 38.000 -0.014 0.000 1.044 413 I HN 0.370 nan 8.210 nan 0.000 0.408 414 D N 0.518 120.899 120.400 -0.032 0.000 2.133 414 D HA -0.164 4.476 4.640 -0.000 0.000 0.195 414 D C 2.199 178.489 176.300 -0.017 0.000 0.997 414 D CA 1.636 55.619 54.000 -0.028 0.000 0.840 414 D CB -0.439 40.329 40.800 -0.053 0.000 0.947 414 D HN 0.277 nan 8.370 nan 0.000 0.452 415 T N 0.281 114.807 114.554 -0.046 0.000 2.746 415 T HA -0.084 4.266 4.350 -0.000 0.000 0.267 415 T C 2.233 176.915 174.700 -0.031 0.000 1.039 415 T CA 0.758 62.837 62.100 -0.036 0.000 1.142 415 T CB -0.277 68.547 68.868 -0.072 0.000 0.866 415 T HN -0.026 nan 8.240 nan 0.000 0.444 416 V N 1.597 121.455 119.914 -0.095 0.000 2.343 416 V HA -0.122 3.998 4.120 -0.000 0.000 0.247 416 V C 2.465 178.493 176.094 -0.110 0.000 1.051 416 V CA 1.498 63.691 62.300 -0.177 0.000 1.036 416 V CB -0.668 31.034 31.823 -0.202 0.000 0.654 416 V HN 0.444 nan 8.190 nan 0.000 0.451 417 L N -1.427 119.773 121.223 -0.039 0.000 2.093 417 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 417 L C 2.475 179.356 176.870 0.019 0.000 1.085 417 L CA 1.894 56.728 54.840 -0.010 0.000 0.755 417 L CB -0.651 41.414 42.059 0.010 0.000 0.904 417 L HN 0.410 nan 8.230 nan 0.000 0.435 418 Y N 0.113 120.366 120.300 -0.078 0.000 2.242 418 Y HA -0.287 4.263 4.550 -0.000 0.000 0.291 418 Y C 2.721 178.580 175.900 -0.068 0.000 1.137 418 Y CA 1.547 59.607 58.100 -0.067 0.000 1.181 418 Y CB 0.003 38.419 38.460 -0.073 0.000 0.989 418 Y HN 0.071 nan 8.280 nan 0.000 0.527 419 M N 0.982 120.577 119.600 -0.007 0.000 2.132 419 M HA -0.206 4.274 4.480 -0.000 0.000 0.263 419 M C 2.121 178.346 176.300 -0.125 0.000 1.065 419 M CA 1.955 57.194 55.300 -0.102 0.000 1.122 419 M CB -0.753 31.778 32.600 -0.114 0.000 1.365 419 M HN 0.375 nan 8.290 nan 0.000 0.411 420 K N 0.240 120.580 120.400 -0.100 0.000 2.032 420 K HA -0.204 4.116 4.320 -0.000 0.000 0.209 420 K C 1.718 178.277 176.600 -0.067 0.000 1.048 420 K CA 2.002 58.251 56.287 -0.062 0.000 0.927 420 K CB -0.166 32.303 32.500 -0.051 0.000 0.712 420 K HN 0.488 nan 8.250 nan 0.000 0.441 421 E N 0.358 120.494 120.200 -0.106 0.000 2.058 421 E HA -0.194 4.156 4.350 -0.000 0.000 0.194 421 E C 2.076 178.596 176.600 -0.133 0.000 0.997 421 E CA 1.456 57.787 56.400 -0.114 0.000 0.801 421 E CB 0.067 29.683 29.700 -0.139 0.000 0.746 421 E HN 0.283 nan 8.360 nan 0.000 0.450 422 K N 0.209 120.482 120.400 -0.212 0.000 2.097 422 K HA -0.065 4.255 4.320 -0.000 0.000 0.205 422 K C 2.162 178.718 176.600 -0.072 0.000 1.050 422 K CA 0.882 57.066 56.287 -0.171 0.000 0.938 422 K CB -0.048 32.304 32.500 -0.246 0.000 0.718 422 K HN 0.043 nan 8.250 nan 0.000 0.442 423 A N 1.441 124.232 122.820 -0.049 0.000 1.855 423 A HA -0.164 4.156 4.320 -0.000 0.000 0.215 423 A C 2.339 179.952 177.584 0.048 0.000 1.191 423 A CA 2.285 54.339 52.037 0.028 0.000 0.613 423 A CB -1.183 17.853 19.000 0.060 0.000 0.829 423 A HN 0.462 nan 8.150 nan 0.000 0.442 424 T N -1.652 112.919 114.554 0.028 0.000 2.833 424 T HA -0.167 4.183 4.350 -0.000 0.000 0.269 424 T C 1.849 176.558 174.700 0.015 0.000 1.054 424 T CA 1.700 63.819 62.100 0.031 0.000 1.135 424 T CB -0.265 68.614 68.868 0.019 0.000 0.869 424 T HN 0.527 nan 8.240 nan 0.000 0.466 425 K N 1.506 121.902 120.400 -0.006 0.000 2.025 425 K HA 0.096 4.416 4.320 -0.000 0.000 0.207 425 K C 2.652 179.251 176.600 -0.002 0.000 1.049 425 K CA 1.122 57.402 56.287 -0.012 0.000 0.933 425 K CB -0.622 31.859 32.500 -0.032 0.000 0.714 425 K HN 0.384 nan 8.250 nan 0.000 0.438 426 A N 0.720 123.543 122.820 0.005 0.000 1.972 426 A HA -0.102 4.218 4.320 -0.000 0.000 0.219 426 A C 0.922 178.517 177.584 0.017 0.000 1.169 426 A CA 1.226 53.271 52.037 0.014 0.000 0.635 426 A CB -0.028 18.991 19.000 0.032 0.000 0.810 426 A HN 0.280 nan 8.150 nan 0.000 0.446 427 K N -0.260 120.160 120.400 0.033 0.000 2.793 427 K HA 0.307 4.627 4.320 -0.000 0.000 0.269 427 K C -3.282 173.346 176.600 0.046 0.000 1.124 427 K CA -1.774 54.532 56.287 0.033 0.000 1.074 427 K CB 1.476 34.003 32.500 0.045 0.000 1.322 427 K HN -0.057 nan 8.250 nan 0.000 0.532 428 P HA 0.046 nan 4.420 nan 0.000 0.266 428 P C 0.558 177.898 177.300 0.067 0.000 1.195 428 P CA 1.112 64.237 63.100 0.041 0.000 0.768 428 P CB 0.818 32.533 31.700 0.024 0.000 0.838 429 G N 2.171 111.020 108.800 0.082 0.000 2.199 429 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.254 429 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.254 429 G C 0.330 175.334 174.900 0.172 0.000 0.982 429 G CA 0.174 45.356 45.100 0.135 0.000 0.632 429 G HN 0.694 nan 8.290 nan 0.000 0.529 430 I N -0.377 120.274 120.570 0.135 0.000 2.892 430 I HA 0.553 4.723 4.170 -0.000 0.000 0.287 430 I C 0.705 176.906 176.117 0.140 0.000 1.205 430 I CA -0.594 60.792 61.300 0.143 0.000 1.409 430 I CB 0.471 38.564 38.000 0.155 0.000 1.367 430 I HN 0.010 nan 8.210 nan 0.000 0.597 431 L N 6.041 127.344 121.223 0.133 0.000 2.292 431 L HA 0.502 4.842 4.340 -0.000 0.000 0.284 431 L C -0.474 176.547 176.870 0.253 0.000 1.065 431 L CA -0.479 54.460 54.840 0.165 0.000 0.806 431 L CB 1.160 43.285 42.059 0.110 0.000 1.175 431 L HN 0.568 nan 8.230 nan 0.000 0.431 432 L N 5.395 126.782 121.223 0.274 0.000 2.406 432 L HA 0.569 4.909 4.340 -0.000 0.000 0.270 432 L C -0.791 176.210 176.870 0.219 0.000 0.982 432 L CA -0.392 54.600 54.840 0.252 0.000 0.843 432 L CB 1.141 43.332 42.059 0.220 0.000 1.225 432 L HN 0.487 nan 8.230 nan 0.000 0.412 433 F N 0.702 120.673 119.950 0.035 0.000 2.745 433 F HA 1.019 5.546 4.527 -0.000 0.000 0.316 433 F C -0.084 175.669 175.800 -0.078 0.000 1.155 433 F CA -0.998 56.884 58.000 -0.197 0.000 0.937 433 F CB 1.677 40.470 39.000 -0.344 0.000 1.361 433 F HN 0.421 nan 8.300 nan 0.000 0.472 434 G N -0.274 108.461 108.800 -0.110 0.000 2.441 434 G HA2 0.460 4.420 3.960 -0.000 0.000 0.294 434 G HA3 0.460 4.420 3.960 -0.000 0.000 0.294 434 G C -2.308 172.605 174.900 0.022 0.000 1.393 434 G CA -0.897 44.202 45.100 -0.001 0.000 0.796 434 G HN 0.977 nan 8.290 nan 0.000 0.494 435 E N -0.021 120.091 120.200 -0.146 0.000 2.070 435 E HA 0.443 4.793 4.350 -0.000 0.000 0.282 435 E C 0.658 176.847 176.600 -0.685 0.000 1.104 435 E CA -0.425 55.457 56.400 -0.863 0.000 0.876 435 E CB 1.182 29.871 29.700 -1.686 0.000 1.055 435 E HN 0.666 nan 8.360 nan 0.000 0.401 436 G N 4.691 113.420 108.800 -0.118 0.000 3.574 436 G HA2 0.021 3.981 3.960 -0.000 0.000 0.262 436 G HA3 0.021 3.981 3.960 -0.000 0.000 0.262 436 G C -0.366 174.764 174.900 0.384 0.000 1.231 436 G CA -0.779 44.468 45.100 0.246 0.000 1.608 436 G HN 0.567 nan 8.290 nan 0.000 0.628 437 W N 0.053 121.442 121.300 0.148 0.000 2.170 437 W HA 0.170 4.830 4.660 -0.000 0.000 0.342 437 W C 0.248 176.809 176.519 0.070 0.000 1.294 437 W CA -1.209 56.189 57.345 0.088 0.000 1.246 437 W CB 0.835 30.329 29.460 0.056 0.000 1.156 437 W HN 0.147 nan 8.180 nan 0.000 0.572 438 D N 3.559 124.143 120.400 0.306 0.000 2.336 438 D HA 0.300 4.939 4.640 -0.000 0.000 0.249 438 D C -0.859 175.542 176.300 0.168 0.000 1.213 438 D CA 0.098 54.218 54.000 0.199 0.000 0.870 438 D CB 0.330 41.241 40.800 0.185 0.000 1.076 438 D HN 0.183 nan 8.370 nan 0.000 0.483 439 L N 2.355 123.666 121.223 0.147 0.000 2.333 439 L HA 0.621 4.961 4.340 -0.000 0.000 0.269 439 L C 0.405 177.327 176.870 0.087 0.000 1.010 439 L CA -1.595 53.313 54.840 0.114 0.000 0.818 439 L CB 1.952 44.083 42.059 0.120 0.000 1.306 439 L HN 0.415 nan 8.230 nan 0.000 0.430 440 A N 1.315 124.174 122.820 0.064 0.000 3.026 440 A HA 0.328 4.648 4.320 -0.000 0.000 0.272 440 A C 0.211 177.824 177.584 0.047 0.000 1.782 440 A CA 0.114 52.181 52.037 0.050 0.000 1.451 440 A CB -0.667 18.352 19.000 0.032 0.000 1.081 440 A HN 0.612 nan 8.150 nan 0.000 0.611 441 T N 1.704 116.290 114.554 0.055 0.000 2.888 441 T HA 0.545 4.895 4.350 -0.000 0.000 0.284 441 T C -2.604 172.122 174.700 0.043 0.000 1.017 441 T CA -1.960 60.169 62.100 0.048 0.000 1.022 441 T CB 1.220 70.120 68.868 0.055 0.000 1.013 441 T HN 0.282 nan 8.240 nan 0.000 0.465 442 P HA 0.216 nan 4.420 nan 0.000 0.235 442 P C -1.002 176.315 177.300 0.028 0.000 1.670 442 P CA 0.214 63.334 63.100 0.033 0.000 1.017 442 P CB -0.521 31.201 31.700 0.035 0.000 1.945 443 L N 2.004 123.246 121.223 0.032 0.000 2.445 443 L HA 0.460 4.800 4.340 -0.000 0.000 0.262 443 L C -2.475 174.417 176.870 0.037 0.000 0.974 443 L CA -2.667 52.187 54.840 0.024 0.000 0.822 443 L CB 2.970 45.039 42.059 0.015 0.000 1.339 443 L HN -0.132 nan 8.230 nan 0.000 0.409 444 P HA 0.015 nan 4.420 nan 0.000 0.266 444 P C 0.288 177.633 177.300 0.075 0.000 1.195 444 P CA 0.015 63.149 63.100 0.056 0.000 0.768 444 P CB 0.531 32.255 31.700 0.040 0.000 0.838 445 H N 3.462 122.539 119.070 0.011 0.000 2.330 445 H HA -0.245 4.311 4.556 -0.000 0.000 0.290 445 H C 1.500 176.836 175.328 0.014 0.000 1.111 445 H CA 2.488 58.544 56.048 0.014 0.000 1.226 445 H CB 0.130 29.898 29.762 0.010 0.000 1.355 445 H HN 0.475 nan 8.280 nan 0.000 0.485 446 E N 0.258 120.436 120.200 -0.038 0.000 2.502 446 E HA -0.100 4.250 4.350 -0.000 0.000 0.194 446 E C 1.210 177.767 176.600 -0.072 0.000 1.062 446 E CA 0.544 56.887 56.400 -0.096 0.000 0.867 446 E CB -0.001 29.699 29.700 -0.001 0.000 0.888 446 E HN 0.691 nan 8.360 nan 0.000 0.510 447 Q N 0.519 120.288 119.800 -0.052 0.000 2.282 447 Q HA 0.157 4.497 4.340 -0.000 0.000 0.206 447 Q C -0.056 175.921 176.000 -0.037 0.000 0.878 447 Q CA 0.041 55.824 55.803 -0.034 0.000 0.944 447 Q CB 0.636 29.364 28.738 -0.017 0.000 1.100 447 Q HN 0.128 nan 8.270 nan 0.000 0.509 448 K N 0.319 120.686 120.400 -0.055 0.000 2.118 448 K HA 0.411 4.731 4.320 -0.000 0.000 0.264 448 K C -0.216 176.371 176.600 -0.021 0.000 1.000 448 K CA -0.268 56.000 56.287 -0.032 0.000 0.929 448 K CB 1.024 33.508 32.500 -0.027 0.000 1.021 448 K HN -0.081 nan 8.250 nan 0.000 0.463 449 A N 1.852 124.681 122.820 0.016 0.000 3.033 449 A HA 0.299 4.619 4.320 -0.000 0.000 0.250 449 A C 0.180 177.863 177.584 0.165 0.000 1.633 449 A CA -0.256 51.822 52.037 0.069 0.000 1.290 449 A CB -0.772 18.239 19.000 0.019 0.000 1.048 449 A HN 0.670 nan 8.150 nan 0.000 0.648 450 A N -0.331 122.539 122.820 0.084 0.000 2.279 450 A HA 0.573 4.893 4.320 -0.000 0.000 0.303 450 A C 1.214 178.763 177.584 -0.059 0.000 1.108 450 A CA -0.539 51.552 52.037 0.089 0.000 0.830 450 A CB 0.345 19.354 19.000 0.015 0.000 1.106 450 A HN 0.657 nan 8.150 nan 0.000 0.493 451 L N 1.118 122.278 121.223 -0.105 0.000 2.081 451 L HA -0.235 4.105 4.340 -0.000 0.000 0.212 451 L C 2.627 179.268 176.870 -0.382 0.000 1.080 451 L CA 1.930 56.446 54.840 -0.541 0.000 0.754 451 L CB -0.328 41.666 42.059 -0.109 0.000 0.893 451 L HN 0.868 nan 8.230 nan 0.000 0.433 452 A N -0.468 122.261 122.820 -0.152 0.000 2.131 452 A HA -0.190 4.130 4.320 -0.000 0.000 0.220 452 A C 1.403 178.908 177.584 -0.132 0.000 1.158 452 A CA 1.725 53.707 52.037 -0.091 0.000 0.665 452 A CB -0.413 18.585 19.000 -0.002 0.000 0.795 452 A HN 0.619 nan 8.150 nan 0.000 0.460 453 N N -0.993 117.595 118.700 -0.187 0.000 2.235 453 N HA 0.298 5.038 4.740 -0.000 0.000 0.231 453 N C 1.284 176.715 175.510 -0.132 0.000 1.177 453 N CA 0.672 53.642 53.050 -0.133 0.000 0.874 453 N CB 0.370 38.792 38.487 -0.109 0.000 1.097 453 N HN 0.366 nan 8.380 nan 0.000 0.518 454 A N 2.142 124.790 122.820 -0.288 0.000 1.958 454 A HA -0.123 4.197 4.320 -0.000 0.000 0.221 454 A C -0.350 177.218 177.584 -0.026 0.000 1.178 454 A CA 1.573 53.447 52.037 -0.272 0.000 0.642 454 A CB -1.288 17.433 19.000 -0.465 0.000 0.816 454 A HN 0.156 nan 8.150 nan 0.000 0.453 455 P HA -0.130 nan 4.420 nan 0.000 0.219 455 P C 1.238 178.553 177.300 0.025 0.000 1.146 455 P CA 1.085 64.191 63.100 0.009 0.000 0.808 455 P CB -0.069 31.631 31.700 0.000 0.000 0.779 456 R N -1.579 118.932 120.500 0.019 0.000 2.310 456 R HA 0.227 4.567 4.340 -0.000 0.000 0.202 456 R C 0.691 177.020 176.300 0.048 0.000 0.933 456 R CA 0.456 56.571 56.100 0.025 0.000 1.054 456 R CB -0.134 30.172 30.300 0.010 0.000 0.985 456 R HN 0.272 nan 8.270 nan 0.000 0.489 457 M N 1.755 121.408 119.600 0.088 0.000 2.746 457 M HA 0.255 4.735 4.480 -0.000 0.000 0.209 457 M C -2.436 173.938 176.300 0.122 0.000 1.077 457 M CA -1.824 53.545 55.300 0.115 0.000 0.695 457 M CB 1.804 34.522 32.600 0.197 0.000 1.416 457 M HN -0.264 nan 8.290 nan 0.000 0.459 458 P HA 0.131 nan 4.420 nan 0.000 0.268 458 P C 0.881 178.213 177.300 0.054 0.000 1.205 458 P CA 0.989 64.133 63.100 0.073 0.000 0.771 458 P CB 1.073 32.804 31.700 0.051 0.000 0.858 459 G N 1.959 110.789 108.800 0.050 0.000 2.176 459 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.253 459 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.253 459 G C -0.014 174.896 174.900 0.018 0.000 0.979 459 G CA -0.320 44.795 45.100 0.025 0.000 0.641 459 G HN 0.494 nan 8.290 nan 0.000 0.530 460 I N 1.616 122.198 120.570 0.019 0.000 2.406 460 I HA 0.613 4.783 4.170 -0.000 0.000 0.290 460 I C 0.986 177.014 176.117 -0.150 0.000 0.999 460 I CA -0.525 60.721 61.300 -0.091 0.000 1.124 460 I CB 0.934 38.836 38.000 -0.163 0.000 1.289 460 I HN 0.146 nan 8.210 nan 0.000 0.441 461 G N 5.144 113.820 108.800 -0.208 0.000 2.462 461 G HA2 0.702 4.662 3.960 -0.000 0.000 0.319 461 G HA3 0.702 4.662 3.960 -0.000 0.000 0.319 461 G C -1.386 173.193 174.900 -0.534 0.000 1.171 461 G CA -0.218 44.780 45.100 -0.169 0.000 0.920 461 G HN 0.309 nan 8.290 nan 0.000 0.499 462 F N -1.078 118.865 119.950 -0.011 0.000 2.578 462 F HA 0.437 4.964 4.527 -0.000 0.000 0.311 462 F C -0.471 175.312 175.800 -0.029 0.000 1.094 462 F CA -0.842 57.164 58.000 0.010 0.000 0.923 462 F CB 2.020 41.072 39.000 0.086 0.000 1.230 462 F HN 0.286 nan 8.300 nan 0.000 0.450 463 F N 2.205 122.274 119.950 0.199 0.000 2.543 463 F HA 0.090 4.617 4.527 -0.000 0.000 0.375 463 F C 1.051 177.132 175.800 0.467 0.000 1.075 463 F CA -0.043 58.057 58.000 0.167 0.000 1.225 463 F CB 0.267 39.267 39.000 -0.001 0.000 1.099 463 F HN 0.355 nan 8.300 nan 0.000 0.561 464 N N 4.561 123.632 118.700 0.618 0.000 2.605 464 N HA -0.040 4.700 4.740 -0.000 0.000 0.258 464 N C 0.811 176.589 175.510 0.446 0.000 1.156 464 N CA -0.119 53.216 53.050 0.475 0.000 1.008 464 N CB 0.107 38.820 38.487 0.377 0.000 1.354 464 N HN 0.594 nan 8.380 nan 0.000 0.509 465 D N 3.130 123.762 120.400 0.385 0.000 2.219 465 D HA -0.206 4.434 4.640 -0.000 0.000 0.205 465 D C 1.644 177.972 176.300 0.047 0.000 0.970 465 D CA 0.388 54.467 54.000 0.132 0.000 0.851 465 D CB 0.063 40.812 40.800 -0.084 0.000 0.943 465 D HN 0.370 nan 8.370 nan 0.000 0.488 466 M N 0.549 120.208 119.600 0.098 0.000 2.067 466 M HA -0.136 4.344 4.480 -0.000 0.000 0.260 466 M C 2.094 178.477 176.300 0.138 0.000 1.069 466 M CA 1.240 56.586 55.300 0.077 0.000 1.117 466 M CB -1.031 31.604 32.600 0.057 0.000 1.334 466 M HN 0.080 nan 8.290 nan 0.000 0.407 467 F N 0.691 120.619 119.950 -0.038 0.000 2.126 467 F HA -0.312 4.215 4.527 -0.000 0.000 0.299 467 F C 2.684 178.442 175.800 -0.071 0.000 1.096 467 F CA 1.367 59.335 58.000 -0.054 0.000 1.255 467 F CB -0.288 38.690 39.000 -0.037 0.000 0.997 467 F HN 0.266 nan 8.300 nan 0.000 0.479 468 R N 0.721 121.189 120.500 -0.054 0.000 2.097 468 R HA -0.225 4.115 4.340 -0.000 0.000 0.236 468 R C 1.649 177.859 176.300 -0.151 0.000 1.135 468 R CA 2.464 58.384 56.100 -0.299 0.000 0.934 468 R CB -0.592 29.366 30.300 -0.570 0.000 0.846 468 R HN 0.227 nan 8.270 nan 0.000 0.431 469 D N 0.121 120.471 120.400 -0.083 0.000 2.178 469 D HA -0.067 4.573 4.640 -0.000 0.000 0.202 469 D C 1.712 178.023 176.300 0.020 0.000 0.974 469 D CA 1.296 55.270 54.000 -0.044 0.000 0.841 469 D CB -0.221 40.558 40.800 -0.035 0.000 0.953 469 D HN 0.423 nan 8.370 nan 0.000 0.478 470 A N 0.406 123.271 122.820 0.075 0.000 1.902 470 A HA -0.131 4.189 4.320 -0.000 0.000 0.217 470 A C 2.432 180.112 177.584 0.161 0.000 1.181 470 A CA 1.256 53.371 52.037 0.129 0.000 0.623 470 A CB -0.568 18.539 19.000 0.179 0.000 0.818 470 A HN 0.155 nan 8.150 nan 0.000 0.443 471 V N -0.179 119.811 119.914 0.127 0.000 2.300 471 V HA -0.150 3.970 4.120 -0.000 0.000 0.241 471 V C 2.510 178.690 176.094 0.145 0.000 1.034 471 V CA 2.163 64.554 62.300 0.153 0.000 1.021 471 V CB -0.564 31.265 31.823 0.011 0.000 0.662 471 V HN 0.667 nan 8.190 nan 0.000 0.458 472 K N -0.033 120.400 120.400 0.055 0.000 2.044 472 K HA 0.232 4.552 4.320 -0.000 0.000 0.204 472 K C 0.774 177.282 176.600 -0.154 0.000 1.049 472 K CA 1.260 57.477 56.287 -0.116 0.000 0.945 472 K CB 0.214 32.565 32.500 -0.249 0.000 0.724 472 K HN 0.585 nan 8.250 nan 0.000 0.440 473 G N 0.757 109.509 108.800 -0.080 0.000 2.402 473 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.666 473 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.666 473 G C -1.448 173.423 174.900 -0.048 0.000 1.402 473 G CA -0.642 44.426 45.100 -0.052 0.000 0.920 473 G HN 0.314 nan 8.290 nan 0.000 0.651 474 N N 0.117 118.818 118.700 0.003 0.000 2.219 474 N HA -0.003 4.737 4.740 -0.000 0.000 0.263 474 N C 1.909 177.413 175.510 -0.011 0.000 1.269 474 N CA 1.292 54.356 53.050 0.024 0.000 0.831 474 N CB 0.782 39.345 38.487 0.126 0.000 1.059 474 N HN 0.930 nan 8.380 nan 0.000 0.475 475 T N 1.771 116.302 114.554 -0.037 0.000 2.942 475 T HA -0.095 4.255 4.350 -0.000 0.000 0.265 475 T C 1.730 176.413 174.700 -0.028 0.000 1.062 475 T CA 0.374 62.445 62.100 -0.048 0.000 1.139 475 T CB -0.354 68.468 68.868 -0.077 0.000 0.883 475 T HN 0.497 nan 8.240 nan 0.000 0.468 476 F N 2.791 122.604 119.950 -0.228 0.000 2.171 476 F HA 0.026 4.553 4.527 -0.000 0.000 0.300 476 F C 0.990 176.550 175.800 -0.400 0.000 1.090 476 F CA 0.440 58.229 58.000 -0.352 0.000 1.293 476 F CB -0.252 38.445 39.000 -0.506 0.000 1.013 476 F HN 0.220 nan 8.300 nan 0.000 0.486 477 H N 1.587 120.602 119.070 -0.092 0.000 2.641 477 H HA 0.161 4.717 4.556 -0.000 0.000 0.295 477 H C 1.336 176.569 175.328 -0.159 0.000 1.070 477 H CA -0.446 55.492 56.048 -0.182 0.000 1.257 477 H CB 1.261 30.980 29.762 -0.073 0.000 1.393 477 H HN 0.200 nan 8.280 nan 0.000 0.464 478 L N 3.656 124.805 121.223 -0.123 0.000 2.051 478 L HA -0.220 4.120 4.340 -0.000 0.000 0.214 478 L C 1.726 178.522 176.870 -0.123 0.000 1.076 478 L CA 1.971 56.706 54.840 -0.173 0.000 0.758 478 L CB -0.144 41.722 42.059 -0.322 0.000 0.890 478 L HN 0.395 nan 8.230 nan 0.000 0.433 479 K N -0.521 119.828 120.400 -0.085 0.000 2.400 479 K HA 0.236 4.556 4.320 -0.000 0.000 0.194 479 K C 0.791 177.360 176.600 -0.052 0.000 1.033 479 K CA 0.342 56.590 56.287 -0.065 0.000 1.021 479 K CB -0.026 32.437 32.500 -0.063 0.000 0.808 479 K HN 0.416 nan 8.250 nan 0.000 0.505 480 A N 2.154 124.961 122.820 -0.022 0.000 2.540 480 A HA 0.067 4.387 4.320 -0.000 0.000 0.239 480 A C 0.420 177.980 177.584 -0.039 0.000 1.061 480 A CA 0.173 52.205 52.037 -0.009 0.000 0.758 480 A CB -0.061 18.975 19.000 0.059 0.000 0.991 480 A HN 0.284 nan 8.150 nan 0.000 0.502 481 T N 0.508 115.041 114.554 -0.034 0.000 2.918 481 T HA 0.759 5.109 4.350 -0.000 0.000 0.286 481 T C 0.345 175.040 174.700 -0.009 0.000 1.026 481 T CA -0.090 61.981 62.100 -0.047 0.000 1.031 481 T CB 1.872 70.711 68.868 -0.049 0.000 1.046 481 T HN 1.143 nan 8.240 nan 0.000 0.479 482 G N -0.144 108.653 108.800 -0.005 0.000 3.016 482 G HA2 0.500 4.460 3.960 -0.000 0.000 0.270 482 G HA3 0.500 4.460 3.960 -0.000 0.000 0.270 482 G C 0.069 175.041 174.900 0.119 0.000 1.352 482 G CA -1.051 44.090 45.100 0.069 0.000 1.060 482 G HN 0.634 nan 8.290 nan 0.000 0.538 483 F N 1.192 121.176 119.950 0.057 0.000 2.065 483 F HA -0.158 4.369 4.527 -0.000 0.000 0.298 483 F C 2.702 178.554 175.800 0.087 0.000 1.112 483 F CA 2.609 60.658 58.000 0.082 0.000 1.212 483 F CB -0.305 38.746 39.000 0.084 0.000 0.975 483 F HN 0.336 nan 8.300 nan 0.000 0.476 484 A N -0.006 122.833 122.820 0.031 0.000 2.070 484 A HA -0.082 4.238 4.320 -0.000 0.000 0.220 484 A C 2.047 179.584 177.584 -0.079 0.000 1.159 484 A CA 1.486 53.494 52.037 -0.049 0.000 0.656 484 A CB -1.023 18.088 19.000 0.184 0.000 0.800 484 A HN 0.498 nan 8.150 nan 0.000 0.453 485 L N -1.560 119.631 121.223 -0.054 0.000 2.628 485 L HA 0.256 4.596 4.340 -0.000 0.000 0.229 485 L C 1.509 178.304 176.870 -0.126 0.000 1.137 485 L CA 0.520 55.313 54.840 -0.079 0.000 0.909 485 L CB -0.085 41.925 42.059 -0.081 0.000 1.137 485 L HN 0.567 nan 8.230 nan 0.000 0.470 486 G N 0.148 108.843 108.800 -0.175 0.000 2.179 486 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.220 486 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.220 486 G C 0.167 175.087 174.900 0.033 0.000 0.990 486 G CA -0.331 44.673 45.100 -0.159 0.000 0.646 486 G HN 0.342 nan 8.290 nan 0.000 0.517 487 N N 1.366 120.096 118.700 0.050 0.000 2.415 487 N HA 0.407 5.147 4.740 -0.000 0.000 0.246 487 N C 1.555 177.177 175.510 0.186 0.000 1.078 487 N CA 0.703 53.821 53.050 0.113 0.000 0.942 487 N CB 0.783 39.317 38.487 0.079 0.000 1.140 487 N HN 0.272 nan 8.380 nan 0.000 0.501 488 G N 2.564 111.460 108.800 0.161 0.000 2.534 488 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.217 488 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.217 488 G C 0.997 175.966 174.900 0.115 0.000 1.128 488 G CA 0.276 45.438 45.100 0.102 0.000 0.784 488 G HN 0.547 nan 8.290 nan 0.000 0.542 489 E N 0.994 121.254 120.200 0.099 0.000 2.478 489 E HA -0.045 4.305 4.350 -0.000 0.000 0.198 489 E C 2.183 178.837 176.600 0.090 0.000 1.046 489 E CA 0.848 57.294 56.400 0.078 0.000 0.870 489 E CB 0.033 29.769 29.700 0.059 0.000 0.818 489 E HN 0.578 nan 8.360 nan 0.000 0.527 490 S N -1.074 114.706 115.700 0.134 0.000 2.554 490 S HA 0.421 4.891 4.470 -0.000 0.000 0.226 490 S C 1.764 176.415 174.600 0.085 0.000 0.980 490 S CA 0.187 58.459 58.200 0.121 0.000 0.939 490 S CB 0.717 64.006 63.200 0.149 0.000 0.832 490 S HN 0.176 nan 8.310 nan 0.000 0.486 491 A N 2.414 125.282 122.820 0.080 0.000 1.883 491 A HA -0.196 4.124 4.320 -0.000 0.000 0.217 491 A C 2.263 179.742 177.584 -0.174 0.000 1.186 491 A CA 1.794 53.756 52.037 -0.126 0.000 0.624 491 A CB -0.874 18.119 19.000 -0.011 0.000 0.822 491 A HN 0.595 nan 8.150 nan 0.000 0.444 492 Q N -0.641 119.123 119.800 -0.059 0.000 2.084 492 Q HA -0.126 4.214 4.340 -0.000 0.000 0.202 492 Q C 2.177 178.113 176.000 -0.106 0.000 0.978 492 Q CA 1.651 57.421 55.803 -0.056 0.000 0.844 492 Q CB -0.369 28.402 28.738 0.055 0.000 0.898 492 Q HN 0.602 nan 8.270 nan 0.000 0.426 493 A N -0.062 122.738 122.820 -0.033 0.000 1.940 493 A HA -0.147 4.173 4.320 -0.000 0.000 0.219 493 A C 2.194 179.717 177.584 -0.102 0.000 1.176 493 A CA 1.572 53.605 52.037 -0.006 0.000 0.631 493 A CB -0.705 18.324 19.000 0.048 0.000 0.814 493 A HN 0.320 nan 8.150 nan 0.000 0.446 494 V N -0.681 119.162 119.914 -0.118 0.000 2.307 494 V HA -0.283 3.837 4.120 -0.000 0.000 0.245 494 V C 2.550 178.437 176.094 -0.346 0.000 1.045 494 V CA 2.319 64.551 62.300 -0.113 0.000 1.024 494 V CB -0.654 31.049 31.823 -0.200 0.000 0.651 494 V HN 0.669 nan 8.190 nan 0.000 0.449 495 M N -0.132 119.199 119.600 -0.447 0.000 2.149 495 M HA -0.207 4.273 4.480 -0.000 0.000 0.261 495 M C 2.090 177.875 176.300 -0.859 0.000 1.064 495 M CA 1.951 56.851 55.300 -0.667 0.000 1.102 495 M CB -0.895 31.259 32.600 -0.744 0.000 1.369 495 M HN 0.507 nan 8.290 nan 0.000 0.408 496 H N -0.474 118.080 119.070 -0.861 0.000 2.319 496 H HA 0.009 4.565 4.556 -0.000 0.000 0.299 496 H C 1.939 176.902 175.328 -0.610 0.000 1.092 496 H CA 2.088 57.754 56.048 -0.637 0.000 1.302 496 H CB -0.952 28.628 29.762 -0.304 0.000 1.373 496 H HN 0.451 nan 8.280 nan 0.000 0.497 497 G N 0.455 108.718 108.800 -0.896 0.000 2.422 497 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.218 497 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.218 497 G C 1.995 176.208 174.900 -1.145 0.000 1.146 497 G CA 0.843 44.933 45.100 -1.683 0.000 0.769 497 G HN 0.482 nan 8.290 nan 0.000 0.547 498 I N 1.240 121.360 120.570 -0.749 0.000 2.454 498 I HA -0.124 4.046 4.170 -0.000 0.000 0.254 498 I C 2.861 178.772 176.117 -0.342 0.000 1.156 498 I CA 0.833 61.891 61.300 -0.403 0.000 1.433 498 I CB 0.027 37.692 38.000 -0.558 0.000 1.082 498 I HN 0.248 nan 8.210 nan 0.000 0.432 499 A N 0.033 122.643 122.820 -0.351 0.000 2.251 499 A HA 0.380 4.700 4.320 -0.000 0.000 0.209 499 A C 1.734 179.303 177.584 -0.026 0.000 1.187 499 A CA 0.699 52.661 52.037 -0.125 0.000 0.823 499 A CB -0.349 18.637 19.000 -0.023 0.000 0.846 499 A HN 0.535 nan 8.150 nan 0.000 0.486 500 G N -1.820 106.912 108.800 -0.113 0.000 2.176 500 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.232 500 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.232 500 G C 0.624 175.469 174.900 -0.091 0.000 0.986 500 G CA 0.245 45.317 45.100 -0.047 0.000 0.643 500 G HN 1.226 nan 8.290 nan 0.000 0.522 501 S N -1.523 114.032 115.700 -0.241 0.000 3.521 501 S HA -0.238 4.232 4.470 -0.000 0.000 0.328 501 S C 1.080 175.646 174.600 -0.056 0.000 1.165 501 S CA 1.311 59.223 58.200 -0.481 0.000 0.941 501 S CB -1.524 61.423 63.200 -0.421 0.000 0.951 501 S HN 1.516 nan 8.310 nan 0.000 0.539 502 S N 1.159 116.952 115.700 0.155 0.000 2.506 502 S HA 0.533 5.003 4.470 -0.000 0.000 0.245 502 S C 0.629 175.375 174.600 0.243 0.000 1.088 502 S CA 0.130 58.434 58.200 0.173 0.000 1.099 502 S CB 0.671 63.943 63.200 0.120 0.000 0.805 502 S HN 1.506 nan 8.310 nan 0.000 0.461 503 G N 1.589 110.658 108.800 0.447 0.000 3.067 503 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.686 503 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.686 503 G C -1.147 173.802 174.900 0.081 0.000 1.119 503 G CA -0.933 44.281 45.100 0.190 0.000 0.790 503 G HN 0.407 nan 8.290 nan 0.000 0.605 504 W N 5.496 126.498 121.300 -0.496 0.000 2.728 504 W HA 0.423 5.083 4.660 -0.000 0.000 0.324 504 W C 0.616 176.977 176.519 -0.264 0.000 1.012 504 W CA -0.414 56.685 57.345 -0.410 0.000 1.279 504 W CB 0.654 29.736 29.460 -0.630 0.000 1.289 504 W HN 1.139 nan 8.180 nan 0.000 0.418 505 K N 2.174 122.150 120.400 -0.705 0.000 2.331 505 K HA -0.318 4.002 4.320 -0.000 0.000 0.159 505 K C 0.966 177.407 176.600 -0.265 0.000 0.830 505 K CA 2.525 58.492 56.287 -0.533 0.000 0.383 505 K CB -1.479 30.643 32.500 -0.630 0.000 0.742 505 K HN 0.438 nan 8.250 nan 0.000 0.782 506 A N 1.513 124.221 122.820 -0.187 0.000 2.379 506 A HA 0.334 4.654 4.320 -0.000 0.000 0.236 506 A C 0.363 177.910 177.584 -0.061 0.000 1.272 506 A CA -0.143 51.835 52.037 -0.097 0.000 0.886 506 A CB -0.096 18.865 19.000 -0.065 0.000 0.962 506 A HN 0.227 nan 8.150 nan 0.000 0.504 507 L N 1.020 122.191 121.223 -0.087 0.000 2.289 507 L HA 0.528 4.868 4.340 -0.000 0.000 0.285 507 L C 0.704 177.549 176.870 -0.041 0.000 1.049 507 L CA -0.675 54.129 54.840 -0.061 0.000 0.804 507 L CB 1.536 43.507 42.059 -0.147 0.000 1.195 507 L HN 0.278 nan 8.230 nan 0.000 0.428 508 A N 5.631 128.476 122.820 0.042 0.000 2.462 508 A HA 0.443 4.763 4.320 -0.000 0.000 0.243 508 A C -2.270 175.418 177.584 0.173 0.000 1.076 508 A CA -0.968 51.113 52.037 0.073 0.000 0.773 508 A CB -0.401 18.636 19.000 0.062 0.000 1.010 508 A HN 0.442 nan 8.150 nan 0.000 0.493 509 P HA 0.078 nan 4.420 nan 0.000 0.269 509 P C 0.583 177.961 177.300 0.131 0.000 1.209 509 P CA -0.318 62.902 63.100 0.200 0.000 0.776 509 P CB 0.407 32.178 31.700 0.119 0.000 0.876 510 I N 1.175 121.791 120.570 0.077 0.000 2.628 510 I HA 0.025 4.195 4.170 -0.000 0.000 0.255 510 I C 1.026 177.135 176.117 -0.012 0.000 1.119 510 I CA 1.206 62.511 61.300 0.009 0.000 1.448 510 I CB -0.528 37.443 38.000 -0.049 0.000 1.133 510 I HN 0.159 nan 8.210 nan 0.000 0.438 511 V N -3.202 116.719 119.914 0.012 0.000 3.078 511 V HA 0.480 4.599 4.120 -0.000 0.000 0.311 511 V C -2.407 173.718 176.094 0.052 0.000 1.138 511 V CA -1.479 60.835 62.300 0.022 0.000 1.007 511 V CB 1.672 33.539 31.823 0.073 0.000 1.045 511 V HN -0.216 nan 8.190 nan 0.000 0.432 512 P HA 0.079 nan 4.420 nan 0.000 0.216 512 P C 0.048 177.395 177.300 0.078 0.000 1.153 512 P CA 1.325 64.463 63.100 0.064 0.000 0.844 512 P CB 0.260 31.995 31.700 0.058 0.000 0.787 513 E N -1.808 118.445 120.200 0.089 0.000 2.288 513 E HA 0.183 4.533 4.350 -0.000 0.000 0.268 513 E C -1.924 174.739 176.600 0.105 0.000 0.885 513 E CA -2.325 54.134 56.400 0.099 0.000 0.767 513 E CB 1.185 30.949 29.700 0.106 0.000 1.220 513 E HN -0.027 nan 8.360 nan 0.000 0.427 514 P HA -0.188 nan 4.420 nan 0.000 0.219 514 P C 1.108 178.480 177.300 0.120 0.000 1.146 514 P CA 1.352 64.516 63.100 0.106 0.000 0.808 514 P CB 0.272 32.035 31.700 0.105 0.000 0.779 515 S N -0.725 115.066 115.700 0.153 0.000 2.507 515 S HA -0.131 4.339 4.470 -0.000 0.000 0.235 515 S C 1.808 176.441 174.600 0.055 0.000 0.988 515 S CA 0.680 58.950 58.200 0.117 0.000 0.944 515 S CB -0.968 62.280 63.200 0.081 0.000 0.762 515 S HN 0.290 nan 8.310 nan 0.000 0.526 516 Q N 0.662 120.517 119.800 0.091 0.000 2.319 516 Q HA 0.291 4.631 4.340 -0.000 0.000 0.202 516 Q C 0.126 176.211 176.000 0.142 0.000 0.896 516 Q CA -0.039 55.841 55.803 0.129 0.000 0.942 516 Q CB 0.496 29.362 28.738 0.213 0.000 1.083 516 Q HN 0.462 nan 8.270 nan 0.000 0.510 517 S N 1.374 117.127 115.700 0.088 0.000 2.461 517 S HA 0.296 4.766 4.470 -0.000 0.000 0.322 517 S C -0.260 174.358 174.600 0.030 0.000 1.063 517 S CA -0.641 57.615 58.200 0.093 0.000 1.120 517 S CB 0.238 63.493 63.200 0.092 0.000 0.968 517 S HN 0.116 nan 8.310 nan 0.000 0.467 518 I N 5.603 126.138 120.570 -0.059 0.000 2.308 518 I HA 0.232 4.402 4.170 -0.000 0.000 0.293 518 I C 0.075 176.250 176.117 0.097 0.000 1.078 518 I CA -0.370 60.803 61.300 -0.211 0.000 1.292 518 I CB -0.272 37.268 38.000 -0.766 0.000 1.423 518 I HN 0.548 nan 8.210 nan 0.000 0.493 519 N N 8.292 127.109 118.700 0.194 0.000 2.444 519 N HA 0.420 5.160 4.740 -0.000 0.000 0.271 519 N C -0.569 175.158 175.510 0.362 0.000 1.069 519 N CA -0.140 53.102 53.050 0.319 0.000 0.965 519 N CB 1.507 40.184 38.487 0.316 0.000 1.092 519 N HN 0.526 nan 8.380 nan 0.000 0.476 520 Y N -1.960 118.370 120.300 0.051 0.000 2.689 520 Y HA 0.516 5.066 4.550 -0.000 0.000 0.333 520 Y C -0.088 175.824 175.900 0.021 0.000 1.208 520 Y CA -1.186 56.977 58.100 0.104 0.000 1.055 520 Y CB 0.388 38.974 38.460 0.209 0.000 1.304 520 Y HN 0.056 nan 8.280 nan 0.000 0.455 521 V N -2.656 117.236 119.914 -0.036 0.000 3.411 521 V HA 0.487 4.607 4.120 -0.000 0.000 0.287 521 V C -0.238 175.920 176.094 0.106 0.000 1.543 521 V CA 0.640 62.891 62.300 -0.082 0.000 1.028 521 V CB 0.596 32.502 31.823 0.137 0.000 0.840 521 V HN 0.844 nan 8.190 nan 0.000 0.435 522 E N 0.851 121.219 120.200 0.280 0.000 2.366 522 E HA 0.687 5.037 4.350 -0.000 0.000 0.278 522 E C -0.960 175.858 176.600 0.363 0.000 0.923 522 E CA 0.277 56.845 56.400 0.280 0.000 0.761 522 E CB 2.570 32.441 29.700 0.285 0.000 1.231 522 E HN 0.538 nan 8.360 nan 0.000 0.443 523 S N 1.582 117.280 115.700 -0.003 0.000 2.688 523 S HA 0.239 4.709 4.470 -0.000 0.000 0.275 523 S C 0.931 175.059 174.600 -0.786 0.000 1.175 523 S CA -0.401 57.690 58.200 -0.182 0.000 0.818 523 S CB 0.660 63.763 63.200 -0.162 0.000 1.157 523 S HN 0.809 nan 8.310 nan 0.000 0.482 524 H N 0.020 118.768 119.070 -0.538 0.000 2.456 524 H HA 0.072 4.628 4.556 -0.000 0.000 0.296 524 H C -0.469 174.655 175.328 -0.340 0.000 1.079 524 H CA 0.981 56.765 56.048 -0.441 0.000 1.322 524 H CB -0.635 28.811 29.762 -0.527 0.000 1.388 524 H HN 0.514 nan 8.280 nan 0.000 0.538 525 D N 1.704 121.527 120.400 -0.961 0.000 2.313 525 D HA 0.115 4.755 4.640 -0.000 0.000 0.247 525 D C 0.228 176.434 176.300 -0.158 0.000 1.094 525 D CA -0.018 53.704 54.000 -0.462 0.000 0.925 525 D CB 0.911 41.412 40.800 -0.499 0.000 1.188 525 D HN 0.419 nan 8.370 nan 0.000 0.430 526 N N -0.276 118.407 118.700 -0.029 0.000 6.799 526 N HA -0.200 4.540 4.740 -0.000 0.000 0.418 526 N C -0.395 175.096 175.510 -0.032 0.000 0.942 526 N CA 0.220 53.237 53.050 -0.055 0.000 1.476 526 N CB -0.516 37.947 38.487 -0.040 0.000 0.802 526 N HN 0.520 nan 8.380 nan 0.000 0.350 527 H N 0.208 119.302 119.070 0.040 0.000 2.871 527 H HA 0.102 4.658 4.556 -0.000 0.000 0.355 527 H C 0.542 175.920 175.328 0.083 0.000 1.092 527 H CA 0.935 57.032 56.048 0.082 0.000 1.420 527 H CB 0.263 30.074 29.762 0.081 0.000 1.400 527 H HN 0.607 nan 8.280 nan 0.000 0.604 528 T N -0.654 114.068 114.554 0.280 0.000 2.802 528 T HA -0.047 4.303 4.350 -0.000 0.000 0.305 528 T C 1.450 176.324 174.700 0.289 0.000 1.053 528 T CA -0.603 61.658 62.100 0.268 0.000 1.058 528 T CB 0.525 69.587 68.868 0.322 0.000 0.988 528 T HN 0.457 nan 8.240 nan 0.000 0.539 529 F N 0.463 120.514 119.950 0.169 0.000 2.126 529 F HA -0.034 4.493 4.527 -0.000 0.000 0.299 529 F C 2.127 178.018 175.800 0.152 0.000 1.096 529 F CA 1.404 59.485 58.000 0.135 0.000 1.255 529 F CB -0.335 38.746 39.000 0.135 0.000 0.997 529 F HN 0.778 nan 8.300 nan 0.000 0.479 530 W N 1.328 122.855 121.300 0.378 0.000 2.355 530 W HA -0.246 4.414 4.660 -0.000 0.000 0.309 530 W C 1.755 178.325 176.519 0.084 0.000 1.206 530 W CA 2.045 59.535 57.345 0.242 0.000 1.284 530 W CB -0.563 29.021 29.460 0.207 0.000 1.145 530 W HN 0.044 nan 8.180 nan 0.000 0.502 531 D N 0.390 120.893 120.400 0.171 0.000 2.144 531 D HA -0.197 4.443 4.640 -0.000 0.000 0.200 531 D C 1.884 178.120 176.300 -0.108 0.000 0.978 531 D CA 1.934 55.942 54.000 0.013 0.000 0.833 531 D CB -0.428 40.531 40.800 0.266 0.000 0.961 531 D HN 0.095 nan 8.370 nan 0.000 0.470 532 K N 0.872 121.239 120.400 -0.054 0.000 2.009 532 K HA -0.119 4.201 4.320 -0.000 0.000 0.210 532 K C 2.037 178.506 176.600 -0.218 0.000 1.049 532 K CA 1.193 57.397 56.287 -0.138 0.000 0.929 532 K CB -0.495 31.888 32.500 -0.195 0.000 0.714 532 K HN 0.133 nan 8.250 nan 0.000 0.440 533 M N -0.048 119.353 119.600 -0.332 0.000 2.159 533 M HA -0.153 4.327 4.480 -0.000 0.000 0.263 533 M C 2.115 178.164 176.300 -0.418 0.000 1.063 533 M CA 1.944 57.026 55.300 -0.363 0.000 1.110 533 M CB -0.298 32.103 32.600 -0.331 0.000 1.374 533 M HN 0.299 nan 8.290 nan 0.000 0.411 534 S N -0.327 115.022 115.700 -0.584 0.000 2.400 534 S HA -0.126 4.344 4.470 -0.000 0.000 0.232 534 S C 1.384 175.681 174.600 -0.506 0.000 1.025 534 S CA 1.304 59.121 58.200 -0.637 0.000 0.993 534 S CB -0.365 62.382 63.200 -0.754 0.000 0.808 534 S HN 0.595 nan 8.310 nan 0.000 0.478 535 F N 1.096 120.876 119.950 -0.283 0.000 2.262 535 F HA 0.366 4.893 4.527 -0.000 0.000 0.292 535 F C 2.476 178.155 175.800 -0.202 0.000 1.081 535 F CA 0.533 58.394 58.000 -0.231 0.000 1.355 535 F CB -0.921 37.914 39.000 -0.274 0.000 1.069 535 F HN 0.219 nan 8.300 nan 0.000 0.506 536 A N -0.639 122.159 122.820 -0.036 0.000 1.968 536 A HA 0.054 4.374 4.320 -0.000 0.000 0.217 536 A C 0.890 178.412 177.584 -0.102 0.000 1.169 536 A CA 1.109 53.098 52.037 -0.080 0.000 0.638 536 A CB -0.481 18.447 19.000 -0.119 0.000 0.812 536 A HN 0.188 nan 8.150 nan 0.000 0.446 537 L N 0.504 121.639 121.223 -0.147 0.000 2.679 537 L HA 0.293 4.633 4.340 -0.000 0.000 0.238 537 L C -1.697 175.077 176.870 -0.160 0.000 1.330 537 L CA -1.234 53.517 54.840 -0.147 0.000 0.935 537 L CB 1.304 43.263 42.059 -0.167 0.000 1.243 537 L HN 0.105 nan 8.230 nan 0.000 0.484 538 P HA -0.181 nan 4.420 nan 0.000 0.221 538 P C 0.861 178.099 177.300 -0.103 0.000 1.145 538 P CA 1.152 64.179 63.100 -0.121 0.000 0.795 538 P CB 0.618 32.273 31.700 -0.076 0.000 0.775 539 Q N -0.557 119.189 119.800 -0.090 0.000 2.408 539 Q HA 0.122 4.462 4.340 -0.000 0.000 0.205 539 Q C 0.641 176.594 176.000 -0.079 0.000 0.919 539 Q CA 0.315 56.074 55.803 -0.074 0.000 0.932 539 Q CB 0.038 28.740 28.738 -0.060 0.000 1.058 539 Q HN 0.433 nan 8.270 nan 0.000 0.517 540 E N 1.438 121.578 120.200 -0.101 0.000 2.313 540 E HA 0.084 4.434 4.350 -0.000 0.000 0.276 540 E C -0.381 176.163 176.600 -0.092 0.000 1.031 540 E CA -0.439 55.902 56.400 -0.099 0.000 0.857 540 E CB 0.606 30.234 29.700 -0.119 0.000 1.040 540 E HN 0.312 nan 8.360 nan 0.000 0.408 541 N N 1.932 120.595 118.700 -0.062 0.000 2.288 541 N HA -0.057 4.683 4.740 -0.000 0.000 0.237 541 N C 0.128 175.626 175.510 -0.020 0.000 1.311 541 N CA -0.170 52.860 53.050 -0.034 0.000 0.909 541 N CB 0.487 38.963 38.487 -0.018 0.000 1.167 541 N HN 0.259 nan 8.380 nan 0.000 0.476 542 D N -1.009 119.412 120.400 0.035 0.000 2.178 542 D HA -0.133 4.507 4.640 -0.000 0.000 0.202 542 D C 1.601 177.929 176.300 0.046 0.000 0.974 542 D CA 0.964 55.033 54.000 0.115 0.000 0.841 542 D CB -0.429 40.455 40.800 0.139 0.000 0.953 542 D HN 0.567 nan 8.370 nan 0.000 0.478 543 S N -0.186 115.521 115.700 0.011 0.000 2.356 543 S HA -0.112 4.358 4.470 -0.000 0.000 0.223 543 S C 1.903 176.490 174.600 -0.022 0.000 1.032 543 S CA 0.929 59.124 58.200 -0.009 0.000 1.005 543 S CB 0.114 63.315 63.200 0.001 0.000 0.867 543 S HN 0.147 nan 8.310 nan 0.000 0.449 544 R N 0.454 120.936 120.500 -0.029 0.000 2.090 544 R HA 0.053 4.393 4.340 -0.000 0.000 0.228 544 R C 2.491 178.765 176.300 -0.044 0.000 1.110 544 R CA 1.160 57.233 56.100 -0.045 0.000 0.973 544 R CB -0.156 30.106 30.300 -0.064 0.000 0.869 544 R HN 0.376 nan 8.270 nan 0.000 0.440 545 K N 0.315 120.682 120.400 -0.054 0.000 2.026 545 K HA -0.131 4.189 4.320 -0.000 0.000 0.208 545 K C 2.170 178.807 176.600 0.063 0.000 1.048 545 K CA 1.320 57.559 56.287 -0.080 0.000 0.929 545 K CB -0.087 32.234 32.500 -0.299 0.000 0.713 545 K HN 0.118 nan 8.250 nan 0.000 0.439 546 R N 0.651 121.166 120.500 0.024 0.000 2.091 546 R HA -0.129 4.211 4.340 -0.000 0.000 0.238 546 R C 2.650 179.006 176.300 0.094 0.000 1.136 546 R CA 1.848 57.861 56.100 -0.145 0.000 0.959 546 R CB -0.477 29.546 30.300 -0.462 0.000 0.856 546 R HN 0.310 nan 8.270 nan 0.000 0.437 547 S N 0.769 116.488 115.700 0.032 0.000 2.382 547 S HA -0.153 4.317 4.470 -0.000 0.000 0.228 547 S C 1.963 176.590 174.600 0.046 0.000 1.027 547 S CA 0.905 59.121 58.200 0.027 0.000 0.991 547 S CB -0.228 62.964 63.200 -0.013 0.000 0.823 547 S HN 0.300 nan 8.310 nan 0.000 0.469 548 R N 0.845 121.373 120.500 0.046 0.000 2.090 548 R HA 0.010 4.350 4.340 -0.000 0.000 0.228 548 R C 2.753 179.088 176.300 0.059 0.000 1.110 548 R CA 1.443 57.575 56.100 0.054 0.000 0.973 548 R CB -0.357 29.977 30.300 0.057 0.000 0.869 548 R HN 0.643 nan 8.270 nan 0.000 0.440 549 Q N 0.795 120.647 119.800 0.085 0.000 2.123 549 Q HA -0.095 4.244 4.340 -0.000 0.000 0.199 549 Q C 1.962 177.896 176.000 -0.110 0.000 0.966 549 Q CA 1.218 56.909 55.803 -0.186 0.000 0.845 549 Q CB 0.195 29.044 28.738 0.185 0.000 0.907 549 Q HN 0.202 nan 8.270 nan 0.000 0.439 550 R N -0.042 120.534 120.500 0.127 0.000 2.096 550 R HA -0.136 4.204 4.340 -0.000 0.000 0.235 550 R C 2.355 178.759 176.300 0.174 0.000 1.127 550 R CA 1.168 57.378 56.100 0.183 0.000 0.968 550 R CB -0.396 30.026 30.300 0.204 0.000 0.861 550 R HN 0.291 nan 8.270 nan 0.000 0.440 551 L N 0.869 122.156 121.223 0.105 0.000 2.046 551 L HA -0.088 4.252 4.340 -0.000 0.000 0.208 551 L C 2.241 179.119 176.870 0.014 0.000 1.077 551 L CA 1.968 56.872 54.840 0.108 0.000 0.747 551 L CB -0.662 41.447 42.059 0.083 0.000 0.896 551 L HN 0.093 nan 8.230 nan 0.000 0.432 552 A N -0.637 122.142 122.820 -0.069 0.000 1.933 552 A HA -0.104 4.216 4.320 -0.000 0.000 0.218 552 A C 2.456 179.959 177.584 -0.135 0.000 1.175 552 A CA 2.422 54.385 52.037 -0.123 0.000 0.628 552 A CB -1.628 17.185 19.000 -0.311 0.000 0.814 552 A HN 0.526 nan 8.150 nan 0.000 0.444 553 V N -0.784 119.060 119.914 -0.117 0.000 2.295 553 V HA 0.011 4.131 4.120 -0.000 0.000 0.246 553 V C 2.818 178.904 176.094 -0.014 0.000 1.049 553 V CA 2.992 65.254 62.300 -0.063 0.000 1.024 553 V CB -1.400 30.402 31.823 -0.035 0.000 0.648 553 V HN 0.591 nan 8.190 nan 0.000 0.447 554 A N -0.307 122.545 122.820 0.054 0.000 1.902 554 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 554 A C 2.306 179.958 177.584 0.112 0.000 1.181 554 A CA 1.851 53.961 52.037 0.120 0.000 0.623 554 A CB -0.543 18.630 19.000 0.288 0.000 0.818 554 A HN 0.648 nan 8.150 nan 0.000 0.443 555 I N -0.094 120.422 120.570 -0.090 0.000 2.142 555 I HA -0.245 3.925 4.170 -0.000 0.000 0.240 555 I C 2.236 178.372 176.117 0.032 0.000 1.078 555 I CA 1.027 62.222 61.300 -0.174 0.000 1.343 555 I CB -0.253 37.591 38.000 -0.260 0.000 1.046 555 I HN 0.256 nan 8.210 nan 0.000 0.405 556 I N 0.515 121.047 120.570 -0.064 0.000 2.179 556 I HA -0.255 3.915 4.170 -0.000 0.000 0.242 556 I C 2.502 178.659 176.117 0.068 0.000 1.088 556 I CA 1.794 63.067 61.300 -0.045 0.000 1.357 556 I CB -1.011 36.929 38.000 -0.100 0.000 1.051 556 I HN 0.254 nan 8.210 nan 0.000 0.409 557 L N -0.057 121.187 121.223 0.035 0.000 2.275 557 L HA -0.111 4.229 4.340 -0.000 0.000 0.215 557 L C 1.818 178.680 176.870 -0.014 0.000 1.119 557 L CA 0.832 55.678 54.840 0.010 0.000 0.790 557 L CB -0.213 41.821 42.059 -0.042 0.000 0.919 557 L HN 0.208 nan 8.230 nan 0.000 0.443 558 L N -0.685 120.571 121.223 0.055 0.000 2.818 558 L HA 0.346 4.686 4.340 -0.000 0.000 0.243 558 L C 0.673 177.765 176.870 0.369 0.000 1.185 558 L CA -0.509 54.372 54.840 0.067 0.000 0.988 558 L CB -0.032 42.095 42.059 0.114 0.000 1.292 558 L HN 0.033 nan 8.230 nan 0.000 0.519 559 A N -0.093 122.891 122.820 0.274 0.000 2.303 559 A HA 0.562 4.882 4.320 -0.000 0.000 0.317 559 A C 0.005 177.722 177.584 0.222 0.000 1.149 559 A CA -0.481 51.703 52.037 0.246 0.000 0.822 559 A CB 0.677 19.884 19.000 0.346 0.000 1.131 559 A HN 0.128 nan 8.150 nan 0.000 0.493 560 Q N 0.231 120.122 119.800 0.152 0.000 2.364 560 Q HA 0.490 4.830 4.340 -0.000 0.000 0.267 560 Q C 0.653 176.727 176.000 0.123 0.000 0.999 560 Q CA 1.305 57.190 55.803 0.136 0.000 0.886 560 Q CB 0.981 29.773 28.738 0.091 0.000 1.243 560 Q HN 1.608 nan 8.270 nan 0.000 0.415 561 G N -0.109 108.767 108.800 0.127 0.000 2.318 561 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.367 561 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.367 561 G C -1.433 173.534 174.900 0.112 0.000 1.260 561 G CA -0.613 44.557 45.100 0.118 0.000 1.055 561 G HN 0.422 nan 8.290 nan 0.000 0.484 562 V N 2.834 122.790 119.914 0.071 0.000 2.313 562 V HA 0.511 4.631 4.120 -0.000 0.000 0.278 562 V C -1.786 174.333 176.094 0.042 0.000 1.017 562 V CA -1.109 61.201 62.300 0.017 0.000 0.823 562 V CB 1.369 33.122 31.823 -0.116 0.000 1.010 562 V HN 0.655 nan 8.190 nan 0.000 0.443 563 P HA 0.204 nan 4.420 nan 0.000 0.271 563 P C -1.038 176.356 177.300 0.156 0.000 1.216 563 P CA -0.025 63.149 63.100 0.122 0.000 0.771 563 P CB 0.864 32.618 31.700 0.091 0.000 0.864 564 F N 4.631 124.610 119.950 0.048 0.000 2.539 564 F HA 0.561 5.088 4.527 -0.000 0.000 0.318 564 F C -1.125 174.759 175.800 0.140 0.000 1.135 564 F CA -1.136 56.908 58.000 0.072 0.000 0.915 564 F CB 1.156 40.199 39.000 0.072 0.000 1.176 564 F HN 0.137 nan 8.300 nan 0.000 0.440 565 I N 5.874 126.372 120.570 -0.122 0.000 2.465 565 I HA 0.232 4.402 4.170 -0.000 0.000 0.291 565 I C -0.532 175.432 176.117 -0.255 0.000 1.014 565 I CA -0.816 60.469 61.300 -0.026 0.000 1.093 565 I CB 1.765 39.792 38.000 0.044 0.000 1.267 565 I HN 0.591 nan 8.210 nan 0.000 0.431 566 H N 5.276 124.267 119.070 -0.133 0.000 2.646 566 H HA 0.144 4.700 4.556 -0.000 0.000 0.325 566 H C 0.117 175.189 175.328 -0.427 0.000 1.075 566 H CA -0.178 55.745 56.048 -0.208 0.000 1.421 566 H CB 1.346 31.131 29.762 0.040 0.000 1.461 566 H HN 0.604 nan 8.280 nan 0.000 0.525 567 S N 2.955 117.986 115.700 -1.116 0.000 2.596 567 S HA 0.105 4.575 4.470 -0.000 0.000 0.298 567 S C 1.288 175.446 174.600 -0.735 0.000 1.255 567 S CA 1.034 58.566 58.200 -1.112 0.000 1.083 567 S CB -0.494 62.211 63.200 -0.825 0.000 0.837 567 S HN 1.034 nan 8.310 nan 0.000 0.499 568 G N 3.884 112.279 108.800 -0.676 0.000 2.254 568 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.225 568 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.225 568 G C 0.884 175.199 174.900 -0.974 0.000 1.003 568 G CA 0.672 45.015 45.100 -1.261 0.000 0.622 568 G HN 0.708 nan 8.290 nan 0.000 0.507 569 Q N 0.836 120.361 119.800 -0.458 0.000 2.152 569 Q HA -0.209 4.131 4.340 -0.000 0.000 0.206 569 Q C 2.485 178.258 176.000 -0.378 0.000 0.985 569 Q CA 2.234 57.894 55.803 -0.238 0.000 0.863 569 Q CB -0.253 28.452 28.738 -0.055 0.000 0.904 569 Q HN 0.775 nan 8.270 nan 0.000 0.422 570 E N 0.291 120.270 120.200 -0.368 0.000 2.267 570 E HA -0.185 4.165 4.350 -0.000 0.000 0.197 570 E C 0.545 176.910 176.600 -0.392 0.000 0.998 570 E CA 1.018 57.252 56.400 -0.276 0.000 0.830 570 E CB -0.305 29.376 29.700 -0.031 0.000 0.751 570 E HN 0.583 nan 8.360 nan 0.000 0.491 571 F N -1.672 118.046 119.950 -0.386 0.000 2.818 571 F HA 0.449 4.976 4.527 -0.000 0.000 0.369 571 F C -0.678 174.854 175.800 -0.447 0.000 1.327 571 F CA -1.971 55.752 58.000 -0.462 0.000 1.211 571 F CB -0.679 38.281 39.000 -0.067 0.000 1.036 571 F HN -0.236 nan 8.300 nan 0.000 0.510 572 F N -0.341 119.519 119.950 -0.150 0.000 3.067 572 F HA -0.274 4.253 4.527 -0.000 0.000 0.279 572 F C 1.187 176.891 175.800 -0.160 0.000 0.945 572 F CA 0.620 58.486 58.000 -0.223 0.000 0.948 572 F CB -1.811 36.730 39.000 -0.765 0.000 0.898 572 F HN 0.505 nan 8.300 nan 0.000 0.746 573 R N 0.943 121.426 120.500 -0.028 0.000 2.500 573 R HA 0.152 4.492 4.340 -0.000 0.000 0.281 573 R C 0.410 176.817 176.300 0.179 0.000 0.953 573 R CA 1.216 57.339 56.100 0.037 0.000 1.108 573 R CB 0.514 30.759 30.300 -0.091 0.000 0.901 573 R HN 0.295 nan 8.270 nan 0.000 0.410 574 T N 2.896 117.554 114.554 0.174 0.000 2.887 574 T HA 0.328 4.678 4.350 -0.000 0.000 0.288 574 T C -0.108 174.712 174.700 0.199 0.000 1.021 574 T CA -0.814 61.433 62.100 0.245 0.000 1.000 574 T CB 1.215 70.230 68.868 0.245 0.000 1.034 574 T HN 0.696 nan 8.240 nan 0.000 0.467 575 K N 2.395 122.925 120.400 0.218 0.000 2.618 575 K HA 0.222 4.542 4.320 -0.000 0.000 0.207 575 K C 0.326 177.020 176.600 0.156 0.000 1.058 575 K CA -0.134 56.255 56.287 0.170 0.000 1.086 575 K CB 0.335 32.945 32.500 0.183 0.000 0.827 575 K HN 0.727 nan 8.250 nan 0.000 0.481 576 Q N -0.677 119.220 119.800 0.163 0.000 2.480 576 Q HA -0.249 4.091 4.340 -0.000 0.000 0.265 576 Q C 0.576 176.679 176.000 0.171 0.000 1.072 576 Q CA 0.597 56.483 55.803 0.138 0.000 1.018 576 Q CB -1.786 27.009 28.738 0.095 0.000 1.433 576 Q HN 0.748 nan 8.270 nan 0.000 0.513 577 G N -1.852 107.097 108.800 0.248 0.000 2.176 577 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.253 577 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.253 577 G C 0.208 175.368 174.900 0.434 0.000 0.979 577 G CA -0.023 45.324 45.100 0.412 0.000 0.641 577 G HN 0.387 nan 8.290 nan 0.000 0.530 578 V N 1.189 121.251 119.914 0.246 0.000 2.521 578 V HA 0.256 4.376 4.120 -0.000 0.000 0.286 578 V C 1.563 177.648 176.094 -0.015 0.000 1.034 578 V CA 1.074 63.440 62.300 0.110 0.000 1.045 578 V CB 1.563 33.414 31.823 0.046 0.000 0.974 578 V HN 0.518 nan 8.190 nan 0.000 0.480 579 E N 4.335 124.387 120.200 -0.246 0.000 2.086 579 E HA -0.060 4.290 4.350 -0.000 0.000 0.190 579 E C 0.979 177.453 176.600 -0.210 0.000 0.975 579 E CA 0.575 56.583 56.400 -0.654 0.000 0.813 579 E CB 0.215 29.524 29.700 -0.651 0.000 0.768 579 E HN 0.792 nan 8.360 nan 0.000 0.457 580 N N 0.319 118.985 118.700 -0.056 0.000 2.746 580 N HA 0.049 4.789 4.740 -0.000 0.000 0.250 580 N C -0.476 175.040 175.510 0.011 0.000 1.146 580 N CA -0.086 53.019 53.050 0.092 0.000 0.828 580 N CB 0.929 39.480 38.487 0.107 0.000 1.158 580 N HN -0.029 nan 8.380 nan 0.000 0.519 581 S N 2.079 117.757 115.700 -0.036 0.000 2.743 581 S HA -0.075 4.395 4.470 -0.000 0.000 0.230 581 S C 1.480 175.584 174.600 -0.826 0.000 0.950 581 S CA -0.463 57.573 58.200 -0.273 0.000 0.976 581 S CB -0.789 62.381 63.200 -0.049 0.000 0.779 581 S HN 0.700 nan 8.310 nan 0.000 0.487 582 Y N 2.223 121.679 120.300 -1.406 0.000 2.228 582 Y HA -0.185 4.365 4.550 -0.000 0.000 0.285 582 Y C 1.754 177.261 175.900 -0.655 0.000 1.178 582 Y CA 1.654 58.730 58.100 -1.706 0.000 1.202 582 Y CB -0.859 37.080 38.460 -0.868 0.000 0.974 582 Y HN 0.643 nan 8.280 nan 0.000 0.527 583 Q N 0.059 119.190 119.800 -1.115 0.000 2.112 583 Q HA 0.383 4.723 4.340 -0.000 0.000 0.222 583 Q C -0.353 175.414 176.000 -0.389 0.000 0.798 583 Q CA -0.203 55.233 55.803 -0.612 0.000 1.060 583 Q CB 0.336 28.589 28.738 -0.809 0.000 1.184 583 Q HN 0.204 nan 8.270 nan 0.000 0.475 584 S N 1.854 117.281 115.700 -0.455 0.000 2.603 584 S HA 0.263 4.733 4.470 -0.000 0.000 0.268 584 S C 0.328 174.683 174.600 -0.409 0.000 1.317 584 S CA -0.179 57.801 58.200 -0.367 0.000 1.012 584 S CB 1.228 64.232 63.200 -0.327 0.000 0.926 584 S HN 0.578 nan 8.310 nan 0.000 0.539 585 S N 1.114 116.661 115.700 -0.256 0.000 2.587 585 S HA 0.058 4.528 4.470 -0.000 0.000 0.260 585 S C 0.513 174.947 174.600 -0.275 0.000 1.353 585 S CA -0.390 57.693 58.200 -0.196 0.000 0.995 585 S CB 0.195 63.335 63.200 -0.100 0.000 0.912 585 S HN 0.658 nan 8.310 nan 0.000 0.568 586 D N 0.957 121.270 120.400 -0.145 0.000 2.263 586 D HA -0.083 4.557 4.640 -0.000 0.000 0.208 586 D C 2.167 178.433 176.300 -0.056 0.000 0.971 586 D CA 1.558 55.504 54.000 -0.090 0.000 0.867 586 D CB -0.426 40.393 40.800 0.032 0.000 0.929 586 D HN 0.741 nan 8.370 nan 0.000 0.492 587 S N 0.215 115.884 115.700 -0.052 0.000 2.423 587 S HA -0.081 4.389 4.470 -0.000 0.000 0.231 587 S C 1.957 176.547 174.600 -0.016 0.000 1.014 587 S CA 0.357 58.546 58.200 -0.018 0.000 0.965 587 S CB -0.014 63.177 63.200 -0.016 0.000 0.785 587 S HN 0.098 nan 8.310 nan 0.000 0.495 588 I N 2.560 123.088 120.570 -0.069 0.000 2.494 588 I HA 0.076 4.246 4.170 -0.000 0.000 0.250 588 I C 1.803 177.888 176.117 -0.055 0.000 1.112 588 I CA 0.791 62.057 61.300 -0.057 0.000 1.438 588 I CB -1.218 36.719 38.000 -0.104 0.000 1.111 588 I HN 0.350 nan 8.210 nan 0.000 0.431 589 N N 1.147 119.748 118.700 -0.164 0.000 2.392 589 N HA -0.026 4.714 4.740 -0.000 0.000 0.177 589 N C 0.812 176.326 175.510 0.007 0.000 1.066 589 N CA -0.038 52.934 53.050 -0.131 0.000 0.895 589 N CB 0.241 38.430 38.487 -0.497 0.000 0.988 589 N HN 0.577 nan 8.380 nan 0.000 0.457 590 Q N 0.899 120.719 119.800 0.033 0.000 2.386 590 Q HA 0.059 4.399 4.340 -0.000 0.000 0.282 590 Q C -0.117 175.942 176.000 0.099 0.000 1.050 590 Q CA 0.166 56.041 55.803 0.120 0.000 0.918 590 Q CB 0.988 29.825 28.738 0.165 0.000 1.266 590 Q HN 0.143 nan 8.270 nan 0.000 0.423 591 L N 2.921 124.185 121.223 0.068 0.000 2.325 591 L HA 0.089 4.429 4.340 -0.000 0.000 0.284 591 L C -0.136 176.574 176.870 -0.267 0.000 1.089 591 L CA -0.150 54.623 54.840 -0.111 0.000 0.836 591 L CB 0.699 42.612 42.059 -0.244 0.000 1.184 591 L HN 0.831 nan 8.230 nan 0.000 0.444 592 D N 4.179 124.457 120.400 -0.203 0.000 2.416 592 D HA -0.038 4.602 4.640 -0.000 0.000 0.240 592 D C 0.614 176.463 176.300 -0.753 0.000 1.250 592 D CA -0.077 53.680 54.000 -0.405 0.000 0.967 592 D CB 0.346 41.075 40.800 -0.120 0.000 1.059 592 D HN 0.399 nan 8.370 nan 0.000 0.512 593 W N 2.011 122.816 121.300 -0.825 0.000 2.611 593 W HA -0.045 4.615 4.660 -0.000 0.000 0.251 593 W C 1.646 177.802 176.519 -0.606 0.000 1.265 593 W CA -0.194 56.733 57.345 -0.696 0.000 1.295 593 W CB 0.324 29.469 29.460 -0.525 0.000 1.129 593 W HN 0.335 nan 8.180 nan 0.000 0.630 594 D N -0.372 119.787 120.400 -0.402 0.000 2.149 594 D HA -0.123 4.517 4.640 -0.000 0.000 0.201 594 D C 2.060 178.184 176.300 -0.294 0.000 0.972 594 D CA 1.029 54.892 54.000 -0.228 0.000 0.835 594 D CB -0.352 40.391 40.800 -0.096 0.000 0.966 594 D HN 0.154 nan 8.370 nan 0.000 0.476 595 R N 0.740 121.025 120.500 -0.360 0.000 2.115 595 R HA -0.055 4.285 4.340 -0.000 0.000 0.230 595 R C 2.205 178.196 176.300 -0.514 0.000 1.111 595 R CA 0.774 56.708 56.100 -0.277 0.000 0.976 595 R CB 0.093 30.353 30.300 -0.067 0.000 0.870 595 R HN -0.067 nan 8.270 nan 0.000 0.445 596 R N 1.170 121.020 120.500 -1.084 0.000 2.096 596 R HA -0.141 4.199 4.340 -0.000 0.000 0.235 596 R C 1.366 177.444 176.300 -0.369 0.000 1.127 596 R CA 1.885 57.333 56.100 -1.086 0.000 0.968 596 R CB -0.167 29.454 30.300 -1.132 0.000 0.861 596 R HN 0.435 nan 8.270 nan 0.000 0.440 597 E N -0.477 119.543 120.200 -0.299 0.000 2.015 597 E HA -0.102 4.248 4.350 -0.000 0.000 0.191 597 E C 1.929 178.405 176.600 -0.207 0.000 0.991 597 E CA 1.808 58.100 56.400 -0.179 0.000 0.802 597 E CB -0.222 29.385 29.700 -0.155 0.000 0.759 597 E HN 0.356 nan 8.360 nan 0.000 0.447 598 T N 0.899 115.254 114.554 -0.332 0.000 2.721 598 T HA -0.170 4.180 4.350 -0.000 0.000 0.268 598 T C 0.829 175.124 174.700 -0.675 0.000 1.038 598 T CA 1.249 63.009 62.100 -0.567 0.000 1.145 598 T CB -0.207 68.149 68.868 -0.853 0.000 0.858 598 T HN 0.045 nan 8.240 nan 0.000 0.459 599 F N 1.478 121.433 119.950 0.008 0.000 2.963 599 F HA 0.340 4.867 4.527 -0.000 0.000 0.321 599 F C 1.406 177.280 175.800 0.123 0.000 1.234 599 F CA -1.249 56.824 58.000 0.122 0.000 1.296 599 F CB -0.157 39.011 39.000 0.280 0.000 0.981 599 F HN 0.138 nan 8.300 nan 0.000 0.507 600 K N -0.686 119.802 120.400 0.147 0.000 2.152 600 K HA -0.158 4.162 4.320 -0.000 0.000 0.206 600 K C 1.253 177.984 176.600 0.219 0.000 1.048 600 K CA 1.535 57.915 56.287 0.156 0.000 0.933 600 K CB -0.077 32.465 32.500 0.070 0.000 0.721 600 K HN 0.107 nan 8.250 nan 0.000 0.447 601 E N 1.758 122.092 120.200 0.223 0.000 2.072 601 E HA -0.151 4.199 4.350 -0.000 0.000 0.191 601 E C 1.753 178.552 176.600 0.331 0.000 0.985 601 E CA 1.199 57.757 56.400 0.262 0.000 0.801 601 E CB -0.292 29.536 29.700 0.213 0.000 0.750 601 E HN 0.474 nan 8.360 nan 0.000 0.452 602 D N 0.592 121.201 120.400 0.348 0.000 2.117 602 D HA -0.099 4.541 4.640 -0.000 0.000 0.198 602 D C 2.127 178.596 176.300 0.282 0.000 0.982 602 D CA 0.767 54.972 54.000 0.341 0.000 0.828 602 D CB 0.047 41.101 40.800 0.423 0.000 0.967 602 D HN 0.014 nan 8.370 nan 0.000 0.464 603 V N 1.257 121.334 119.914 0.271 0.000 2.343 603 V HA -0.245 3.875 4.120 -0.000 0.000 0.247 603 V C 2.439 178.674 176.094 0.235 0.000 1.051 603 V CA 1.581 64.029 62.300 0.248 0.000 1.036 603 V CB -0.733 31.295 31.823 0.342 0.000 0.654 603 V HN 0.380 nan 8.190 nan 0.000 0.451 604 H N -1.473 117.695 119.070 0.163 0.000 2.387 604 H HA -0.263 4.293 4.556 -0.000 0.000 0.299 604 H C 2.286 177.683 175.328 0.114 0.000 1.099 604 H CA 2.221 58.336 56.048 0.111 0.000 1.315 604 H CB -0.015 29.819 29.762 0.120 0.000 1.380 604 H HN 0.580 nan 8.280 nan 0.000 0.513 605 Y N 1.578 121.888 120.300 0.017 0.000 2.145 605 Y HA -0.237 4.313 4.550 -0.000 0.000 0.286 605 Y C 2.569 178.458 175.900 -0.019 0.000 1.145 605 Y CA 1.780 59.881 58.100 0.001 0.000 1.148 605 Y CB -0.151 38.395 38.460 0.143 0.000 0.981 605 Y HN 0.289 nan 8.280 nan 0.000 0.507 606 I N -0.224 120.321 120.570 -0.040 0.000 2.315 606 I HA -0.162 4.008 4.170 -0.000 0.000 0.248 606 I C 2.422 178.421 176.117 -0.196 0.000 1.117 606 I CA 1.693 62.904 61.300 -0.149 0.000 1.404 606 I CB -0.926 37.045 38.000 -0.048 0.000 1.071 606 I HN 0.088 nan 8.210 nan 0.000 0.419 607 R N 1.045 121.447 120.500 -0.165 0.000 2.096 607 R HA -0.104 4.236 4.340 -0.000 0.000 0.235 607 R C 2.408 178.535 176.300 -0.288 0.000 1.127 607 R CA 1.314 57.305 56.100 -0.182 0.000 0.968 607 R CB -0.180 30.063 30.300 -0.096 0.000 0.861 607 R HN 0.391 nan 8.270 nan 0.000 0.440 608 R N 0.280 120.497 120.500 -0.472 0.000 2.090 608 R HA -0.063 4.277 4.340 -0.000 0.000 0.228 608 R C 2.421 178.360 176.300 -0.601 0.000 1.110 608 R CA 1.065 56.732 56.100 -0.722 0.000 0.973 608 R CB -0.366 29.154 30.300 -1.299 0.000 0.869 608 R HN 0.298 nan 8.270 nan 0.000 0.440 609 L N 0.576 121.538 121.223 -0.435 0.000 2.017 609 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 609 L C 2.453 179.215 176.870 -0.180 0.000 1.073 609 L CA 1.335 56.056 54.840 -0.197 0.000 0.745 609 L CB -0.396 41.524 42.059 -0.231 0.000 0.894 609 L HN 0.148 nan 8.230 nan 0.000 0.432 610 I N -1.022 119.439 120.570 -0.182 0.000 2.226 610 I HA -0.273 3.897 4.170 -0.000 0.000 0.245 610 I C 2.600 178.646 176.117 -0.118 0.000 1.100 610 I CA 1.101 62.324 61.300 -0.128 0.000 1.374 610 I CB -0.263 37.667 38.000 -0.117 0.000 1.057 610 I HN 0.170 nan 8.210 nan 0.000 0.413 611 S N 0.795 116.403 115.700 -0.154 0.000 2.382 611 S HA -0.162 4.308 4.470 -0.000 0.000 0.228 611 S C 1.902 176.448 174.600 -0.091 0.000 1.027 611 S CA 1.165 59.287 58.200 -0.131 0.000 0.991 611 S CB -0.330 62.769 63.200 -0.168 0.000 0.823 611 S HN 0.285 nan 8.310 nan 0.000 0.469 612 L N 2.060 123.240 121.223 -0.072 0.000 2.017 612 L HA -0.006 4.334 4.340 -0.000 0.000 0.208 612 L C 2.376 179.302 176.870 0.093 0.000 1.073 612 L CA 1.731 56.618 54.840 0.079 0.000 0.745 612 L CB -0.504 41.638 42.059 0.139 0.000 0.894 612 L HN 0.144 nan 8.230 nan 0.000 0.432 613 R N -0.320 120.142 120.500 -0.063 0.000 2.091 613 R HA -0.245 4.095 4.340 -0.000 0.000 0.238 613 R C 2.465 178.814 176.300 0.081 0.000 1.136 613 R CA 2.056 58.150 56.100 -0.009 0.000 0.959 613 R CB -0.282 29.973 30.300 -0.075 0.000 0.856 613 R HN 0.394 nan 8.270 nan 0.000 0.437 614 K N -0.231 120.170 120.400 0.001 0.000 2.057 614 K HA -0.099 4.221 4.320 -0.000 0.000 0.207 614 K C 1.701 178.243 176.600 -0.096 0.000 1.049 614 K CA 1.494 57.764 56.287 -0.027 0.000 0.931 614 K CB -0.132 32.341 32.500 -0.045 0.000 0.714 614 K HN 0.263 nan 8.250 nan 0.000 0.440 615 A N 0.468 123.183 122.820 -0.175 0.000 2.206 615 A HA -0.041 4.279 4.320 -0.000 0.000 0.211 615 A C -0.067 177.041 177.584 -0.793 0.000 1.158 615 A CA 0.517 52.288 52.037 -0.444 0.000 0.761 615 A CB -0.126 18.565 19.000 -0.515 0.000 0.801 615 A HN 0.335 nan 8.150 nan 0.000 0.473 616 H N -1.282 117.750 119.070 -0.064 0.000 2.953 616 H HA 0.220 4.776 4.556 -0.000 0.000 0.290 616 H C -2.335 173.001 175.328 0.014 0.000 1.113 616 H CA -1.779 54.227 56.048 -0.069 0.000 1.454 616 H CB 1.191 30.941 29.762 -0.022 0.000 1.525 616 H HN 0.089 nan 8.280 nan 0.000 0.505 617 P HA -0.154 nan 4.420 nan 0.000 0.222 617 P C 1.451 178.725 177.300 -0.043 0.000 1.142 617 P CA 1.185 64.267 63.100 -0.029 0.000 0.788 617 P CB 0.300 31.948 31.700 -0.087 0.000 0.767 618 A N -1.584 121.180 122.820 -0.095 0.000 2.019 618 A HA -0.157 4.163 4.320 -0.000 0.000 0.219 618 A C 1.548 179.011 177.584 -0.201 0.000 1.164 618 A CA 1.288 53.201 52.037 -0.207 0.000 0.644 618 A CB -1.556 17.260 19.000 -0.308 0.000 0.805 618 A HN 0.144 nan 8.150 nan 0.000 0.449 619 F N -0.684 119.325 119.950 0.097 0.000 2.789 619 F HA 0.170 4.697 4.527 -0.000 0.000 0.300 619 F C 1.472 177.320 175.800 0.080 0.000 1.132 619 F CA 0.520 58.592 58.000 0.121 0.000 1.404 619 F CB 0.192 39.277 39.000 0.141 0.000 1.114 619 F HN 0.050 nan 8.300 nan 0.000 0.584 620 R N 0.398 120.998 120.500 0.166 0.000 2.903 620 R HA 0.232 4.572 4.340 -0.000 0.000 0.363 620 R C -0.846 175.445 176.300 -0.015 0.000 1.161 620 R CA -0.572 55.580 56.100 0.086 0.000 1.109 620 R CB 0.298 30.640 30.300 0.070 0.000 1.399 620 R HN -0.057 nan 8.270 nan 0.000 0.587 621 L N 1.632 122.851 121.223 -0.007 0.000 2.485 621 L HA 0.032 4.372 4.340 -0.000 0.000 0.275 621 L C 1.573 178.397 176.870 -0.077 0.000 1.207 621 L CA 0.741 55.550 54.840 -0.051 0.000 0.855 621 L CB 0.335 42.391 42.059 -0.004 0.000 1.114 621 L HN 0.230 nan 8.230 nan 0.000 0.485 622 R N 0.968 121.379 120.500 -0.148 0.000 2.317 622 R HA 0.173 4.513 4.340 -0.000 0.000 0.208 622 R C -0.014 176.273 176.300 -0.021 0.000 0.914 622 R CA 0.238 56.195 56.100 -0.239 0.000 1.060 622 R CB -0.070 29.950 30.300 -0.468 0.000 1.015 622 R HN 0.707 nan 8.270 nan 0.000 0.498 623 S N -2.016 113.697 115.700 0.021 0.000 2.570 623 S HA 0.529 4.999 4.470 -0.000 0.000 0.270 623 S C 0.457 175.100 174.600 0.071 0.000 1.149 623 S CA -0.395 57.843 58.200 0.063 0.000 0.837 623 S CB 1.925 65.159 63.200 0.056 0.000 1.124 623 S HN -0.020 nan 8.310 nan 0.000 0.465 624 A N 1.390 124.257 122.820 0.079 0.000 1.972 624 A HA 0.274 4.594 4.320 -0.000 0.000 0.219 624 A C 2.223 179.853 177.584 0.077 0.000 1.169 624 A CA 1.889 53.977 52.037 0.085 0.000 0.635 624 A CB -1.439 17.612 19.000 0.085 0.000 0.810 624 A HN 1.542 nan 8.150 nan 0.000 0.446 625 A N 0.064 122.923 122.820 0.064 0.000 1.898 625 A HA -0.137 4.183 4.320 -0.000 0.000 0.216 625 A C 1.749 179.372 177.584 0.065 0.000 1.181 625 A CA 1.700 53.769 52.037 0.054 0.000 0.620 625 A CB -0.456 18.571 19.000 0.044 0.000 0.819 625 A HN 0.452 nan 8.150 nan 0.000 0.442 626 D N 0.174 120.623 120.400 0.082 0.000 2.144 626 D HA -0.100 4.540 4.640 -0.000 0.000 0.200 626 D C 1.873 178.277 176.300 0.173 0.000 0.978 626 D CA 1.086 55.169 54.000 0.139 0.000 0.833 626 D CB -0.335 40.513 40.800 0.079 0.000 0.961 626 D HN 0.527 nan 8.370 nan 0.000 0.470 627 I N 0.625 121.264 120.570 0.116 0.000 2.226 627 I HA -0.289 3.881 4.170 -0.000 0.000 0.245 627 I C 2.472 178.660 176.117 0.118 0.000 1.100 627 I CA 0.916 62.289 61.300 0.123 0.000 1.374 627 I CB -0.186 37.886 38.000 0.119 0.000 1.057 627 I HN -0.059 nan 8.210 nan 0.000 0.413 628 Q N 1.035 120.891 119.800 0.093 0.000 2.234 628 Q HA -0.190 4.150 4.340 -0.000 0.000 0.206 628 Q C 2.225 178.239 176.000 0.022 0.000 0.980 628 Q CA 1.608 57.454 55.803 0.071 0.000 0.869 628 Q CB -0.136 28.628 28.738 0.044 0.000 0.912 628 Q HN 0.232 nan 8.270 nan 0.000 0.436 629 R N -1.332 119.137 120.500 -0.052 0.000 2.127 629 R HA -0.006 4.334 4.340 -0.000 0.000 0.217 629 R C 0.731 176.621 176.300 -0.683 0.000 1.074 629 R CA 1.272 57.199 56.100 -0.288 0.000 0.991 629 R CB 0.153 30.240 30.300 -0.354 0.000 0.895 629 R HN 0.482 nan 8.270 nan 0.000 0.450 630 H N -1.621 117.275 119.070 -0.289 0.000 2.893 630 H HA 0.281 4.837 4.556 -0.000 0.000 0.270 630 H C -0.250 174.883 175.328 -0.325 0.000 1.095 630 H CA -0.162 55.537 56.048 -0.582 0.000 1.186 630 H CB 0.966 30.526 29.762 -0.337 0.000 1.562 630 H HN -0.049 nan 8.280 nan 0.000 0.536 631 L N 1.932 123.209 121.223 0.091 0.000 2.365 631 L HA 0.452 4.792 4.340 -0.000 0.000 0.273 631 L C -1.108 176.018 176.870 0.427 0.000 1.000 631 L CA -0.678 54.338 54.840 0.293 0.000 0.819 631 L CB 1.773 43.982 42.059 0.251 0.000 1.284 631 L HN 0.278 nan 8.230 nan 0.000 0.418 632 E N 3.867 124.356 120.200 0.483 0.000 2.343 632 E HA 0.261 4.611 4.350 -0.000 0.000 0.278 632 E C -1.716 175.134 176.600 0.417 0.000 0.910 632 E CA -0.947 55.713 56.400 0.434 0.000 0.757 632 E CB 1.723 31.623 29.700 0.332 0.000 1.218 632 E HN 0.648 nan 8.360 nan 0.000 0.435 633 C N 4.056 123.637 119.300 0.468 0.000 2.514 633 C HA 0.314 4.774 4.460 -0.000 0.000 0.392 633 C C 0.974 176.145 174.990 0.301 0.000 1.294 633 C CA -0.408 58.850 59.018 0.399 0.000 1.957 633 C CB -0.480 27.564 27.740 0.506 0.000 2.541 633 C HN 0.837 nan 8.230 nan 0.000 0.569 634 L N 4.316 125.710 121.223 0.286 0.000 2.286 634 L HA 0.346 4.686 4.340 -0.000 0.000 0.203 634 L C 1.346 178.391 176.870 0.292 0.000 1.068 634 L CA 1.515 56.524 54.840 0.282 0.000 0.811 634 L CB -0.390 41.901 42.059 0.387 0.000 0.989 634 L HN 0.787 nan 8.230 nan 0.000 0.467 635 T N -0.141 114.591 114.554 0.297 0.000 2.933 635 T HA 0.543 4.893 4.350 -0.000 0.000 0.305 635 T C -1.092 173.722 174.700 0.189 0.000 1.092 635 T CA -0.244 62.020 62.100 0.273 0.000 1.008 635 T CB 2.361 71.480 68.868 0.418 0.000 1.102 635 T HN -0.116 nan 8.240 nan 0.000 0.469 636 L N 2.965 124.284 121.223 0.160 0.000 2.529 636 L HA 0.549 4.889 4.340 -0.000 0.000 0.260 636 L C -1.028 175.906 176.870 0.107 0.000 0.997 636 L CA -0.426 54.481 54.840 0.112 0.000 0.885 636 L CB 0.779 42.904 42.059 0.110 0.000 1.185 636 L HN 0.531 nan 8.230 nan 0.000 0.442 637 K N 1.808 122.281 120.400 0.121 0.000 2.378 637 K HA 0.415 4.735 4.320 -0.000 0.000 0.244 637 K C 0.189 176.851 176.600 0.103 0.000 1.039 637 K CA -0.956 55.393 56.287 0.103 0.000 0.863 637 K CB 1.928 34.499 32.500 0.120 0.000 1.326 637 K HN 0.230 nan 8.250 nan 0.000 0.460 638 E N 0.898 121.081 120.200 -0.029 0.000 2.113 638 E HA -0.210 4.140 4.350 -0.000 0.000 0.210 638 E C 0.785 177.296 176.600 -0.149 0.000 1.040 638 E CA 1.844 58.109 56.400 -0.225 0.000 0.847 638 E CB -0.126 29.198 29.700 -0.626 0.000 0.755 638 E HN 0.419 nan 8.360 nan 0.000 0.459 639 H N -1.964 117.266 119.070 0.267 0.000 2.567 639 H HA 0.317 4.873 4.556 -0.000 0.000 0.267 639 H C -0.191 175.372 175.328 0.392 0.000 1.148 639 H CA -0.265 55.891 56.048 0.180 0.000 1.031 639 H CB 0.535 30.284 29.762 -0.021 0.000 1.691 639 H HN -0.022 nan 8.280 nan 0.000 0.588 640 L N 1.676 123.223 121.223 0.539 0.000 2.516 640 L HA 0.468 4.808 4.340 -0.000 0.000 0.267 640 L C -1.407 175.643 176.870 0.300 0.000 0.957 640 L CA -0.436 54.669 54.840 0.441 0.000 0.860 640 L CB 2.014 44.246 42.059 0.289 0.000 1.265 640 L HN 0.075 nan 8.230 nan 0.000 0.403 641 I N 4.380 125.105 120.570 0.257 0.000 2.478 641 I HA 0.602 4.772 4.170 -0.000 0.000 0.287 641 I C -0.196 175.962 176.117 0.069 0.000 1.042 641 I CA -0.489 60.879 61.300 0.115 0.000 1.067 641 I CB 2.100 40.092 38.000 -0.013 0.000 1.233 641 I HN 0.735 nan 8.210 nan 0.000 0.431 642 A N 6.759 129.594 122.820 0.024 0.000 2.330 642 A HA 0.839 5.159 4.320 -0.000 0.000 0.313 642 A C -1.259 176.398 177.584 0.122 0.000 1.124 642 A CA -0.385 51.571 52.037 -0.135 0.000 0.774 642 A CB 0.889 19.607 19.000 -0.470 0.000 1.198 642 A HN 0.688 nan 8.150 nan 0.000 0.465 643 Y N 0.337 120.616 120.300 -0.034 0.000 2.669 643 Y HA 0.914 5.464 4.550 -0.000 0.000 0.335 643 Y C -0.449 175.504 175.900 0.089 0.000 1.116 643 Y CA -1.512 56.630 58.100 0.069 0.000 1.081 643 Y CB 1.177 39.676 38.460 0.065 0.000 1.297 643 Y HN 0.870 nan 8.280 nan 0.000 0.484 644 R N 0.586 121.218 120.500 0.219 0.000 2.680 644 R HA 0.710 5.050 4.340 -0.000 0.000 0.269 644 R C -2.571 173.911 176.300 0.304 0.000 1.026 644 R CA -0.816 55.366 56.100 0.136 0.000 0.889 644 R CB 1.227 31.623 30.300 0.161 0.000 1.241 644 R HN 0.563 nan 8.270 nan 0.000 0.463 645 L N 3.349 124.701 121.223 0.214 0.000 2.305 645 L HA 0.546 4.886 4.340 -0.000 0.000 0.284 645 L C -0.741 176.281 176.870 0.253 0.000 1.013 645 L CA -0.886 54.068 54.840 0.190 0.000 0.819 645 L CB 0.477 42.540 42.059 0.008 0.000 1.227 645 L HN 0.856 nan 8.230 nan 0.000 0.417 646 Y N -0.607 119.792 120.300 0.165 0.000 2.662 646 Y HA 0.639 5.189 4.550 -0.000 0.000 0.335 646 Y C -0.066 175.968 175.900 0.225 0.000 1.066 646 Y CA -1.541 56.657 58.100 0.163 0.000 1.116 646 Y CB 0.883 39.422 38.460 0.131 0.000 1.308 646 Y HN 0.507 nan 8.280 nan 0.000 0.502 647 D N 0.935 121.518 120.400 0.304 0.000 2.697 647 D HA -0.165 4.475 4.640 -0.000 0.000 0.238 647 D C -0.167 176.260 176.300 0.211 0.000 1.152 647 D CA 1.021 55.159 54.000 0.230 0.000 0.666 647 D CB -1.011 39.893 40.800 0.174 0.000 1.037 647 D HN 0.740 nan 8.370 nan 0.000 0.423 648 L N -0.531 120.771 121.223 0.130 0.000 2.653 648 L HA 0.096 4.436 4.340 -0.000 0.000 0.231 648 L C 1.632 178.522 176.870 0.033 0.000 1.153 648 L CA -0.360 54.497 54.840 0.028 0.000 0.933 648 L CB 0.112 42.189 42.059 0.031 0.000 1.175 648 L HN -0.111 nan 8.230 nan 0.000 0.473 649 D N 1.259 121.699 120.400 0.067 0.000 2.160 649 D HA -0.226 4.414 4.640 -0.000 0.000 0.189 649 D C 1.419 177.734 176.300 0.025 0.000 1.003 649 D CA 1.548 55.582 54.000 0.056 0.000 0.846 649 D CB 0.096 40.934 40.800 0.063 0.000 0.949 649 D HN 0.239 nan 8.370 nan 0.000 0.446 650 E N -0.322 119.884 120.200 0.009 0.000 2.394 650 E HA 0.121 4.471 4.350 -0.000 0.000 0.191 650 E C 0.704 177.275 176.600 -0.048 0.000 1.044 650 E CA 0.055 56.448 56.400 -0.012 0.000 0.939 650 E CB 0.933 30.632 29.700 -0.003 0.000 1.089 650 E HN 0.219 nan 8.360 nan 0.000 0.456 651 V N -0.755 119.119 119.914 -0.067 0.000 3.229 651 V HA 0.124 4.244 4.120 -0.000 0.000 0.239 651 V C 0.428 176.467 176.094 -0.091 0.000 1.390 651 V CA 0.215 62.448 62.300 -0.112 0.000 1.231 651 V CB 1.002 32.696 31.823 -0.214 0.000 1.025 651 V HN 0.100 nan 8.190 nan 0.000 0.461 652 D N -0.378 119.991 120.400 -0.051 0.000 2.547 652 D HA 0.222 4.862 4.640 -0.000 0.000 0.231 652 D C 0.393 176.695 176.300 0.004 0.000 1.099 652 D CA -0.311 53.673 54.000 -0.027 0.000 0.901 652 D CB 3.085 43.894 40.800 0.015 0.000 1.478 652 D HN 0.132 nan 8.370 nan 0.000 0.471 653 E N 1.507 121.675 120.200 -0.053 0.000 2.204 653 E HA -0.091 4.259 4.350 -0.000 0.000 0.194 653 E C -0.230 176.468 176.600 0.163 0.000 0.989 653 E CA 0.746 57.116 56.400 -0.050 0.000 0.824 653 E CB 0.298 29.843 29.700 -0.258 0.000 0.756 653 E HN 0.292 nan 8.360 nan 0.000 0.477 654 W N 1.158 122.516 121.300 0.096 0.000 2.469 654 W HA 0.293 4.953 4.660 -0.000 0.000 0.320 654 W C 1.035 177.585 176.519 0.051 0.000 1.086 654 W CA -1.300 56.078 57.345 0.055 0.000 1.211 654 W CB 1.264 30.703 29.460 -0.035 0.000 1.298 654 W HN -0.086 nan 8.180 nan 0.000 0.525 655 K N 0.479 121.049 120.400 0.284 0.000 2.097 655 K HA -0.146 4.174 4.320 -0.000 0.000 0.205 655 K C -0.157 176.557 176.600 0.191 0.000 1.050 655 K CA 1.415 57.810 56.287 0.180 0.000 0.938 655 K CB 0.170 32.739 32.500 0.115 0.000 0.718 655 K HN 0.339 nan 8.250 nan 0.000 0.442 656 D N -0.915 119.609 120.400 0.206 0.000 2.756 656 D HA 0.415 5.055 4.640 -0.000 0.000 0.226 656 D C -1.548 174.910 176.300 0.263 0.000 1.186 656 D CA -0.561 53.587 54.000 0.246 0.000 0.845 656 D CB 1.503 42.470 40.800 0.279 0.000 1.610 656 D HN 0.043 nan 8.370 nan 0.000 0.465 657 I N 2.938 123.639 120.570 0.219 0.000 2.571 657 I HA 0.397 4.567 4.170 -0.000 0.000 0.289 657 I C -0.682 175.469 176.117 0.057 0.000 1.115 657 I CA -0.676 60.718 61.300 0.156 0.000 1.045 657 I CB 1.988 40.038 38.000 0.084 0.000 1.238 657 I HN 0.265 nan 8.210 nan 0.000 0.424 658 I N 6.441 127.010 120.570 -0.002 0.000 2.406 658 I HA 0.501 4.671 4.170 -0.000 0.000 0.290 658 I C -0.695 175.250 176.117 -0.286 0.000 0.999 658 I CA -0.942 60.265 61.300 -0.155 0.000 1.124 658 I CB 2.173 40.087 38.000 -0.143 0.000 1.289 658 I HN 0.157 nan 8.210 nan 0.000 0.441 659 V N 7.310 126.899 119.914 -0.541 0.000 2.540 659 V HA 0.497 4.617 4.120 -0.000 0.000 0.302 659 V C -0.394 175.304 176.094 -0.659 0.000 1.035 659 V CA -0.642 61.295 62.300 -0.605 0.000 0.873 659 V CB 2.441 33.817 31.823 -0.744 0.000 0.992 659 V HN 0.570 nan 8.190 nan 0.000 0.428 660 I N 3.957 124.183 120.570 -0.573 0.000 2.478 660 I HA 0.568 4.738 4.170 -0.000 0.000 0.287 660 I C -0.975 174.951 176.117 -0.318 0.000 1.042 660 I CA -0.360 60.637 61.300 -0.504 0.000 1.067 660 I CB 1.427 39.007 38.000 -0.700 0.000 1.233 660 I HN 0.730 nan 8.210 nan 0.000 0.431 661 H N 6.148 125.266 119.070 0.080 0.000 2.488 661 H HA 0.374 4.930 4.556 -0.000 0.000 0.322 661 H C -0.952 174.571 175.328 0.326 0.000 1.078 661 H CA -0.458 55.727 56.048 0.228 0.000 1.260 661 H CB 1.046 31.018 29.762 0.350 0.000 1.425 661 H HN 0.496 nan 8.280 nan 0.000 0.471 662 H N 2.365 121.576 119.070 0.235 0.000 2.505 662 H HA 0.483 5.039 4.556 -0.000 0.000 0.338 662 H C -0.601 174.754 175.328 0.045 0.000 1.057 662 H CA -0.793 55.339 56.048 0.140 0.000 1.202 662 H CB 1.198 30.999 29.762 0.065 0.000 1.466 662 H HN 0.827 nan 8.280 nan 0.000 0.499 663 A N 4.036 126.703 122.820 -0.255 0.000 2.574 663 A HA 0.180 4.500 4.320 -0.000 0.000 0.283 663 A C -0.184 177.092 177.584 -0.513 0.000 1.270 663 A CA -0.053 51.721 52.037 -0.438 0.000 0.945 663 A CB -0.068 18.457 19.000 -0.790 0.000 1.127 663 A HN 0.526 nan 8.150 nan 0.000 0.522 664 S N -0.862 114.389 115.700 -0.748 0.000 2.536 664 S HA 0.617 5.087 4.470 -0.000 0.000 0.287 664 S C -2.285 172.016 174.600 -0.497 0.000 1.101 664 S CA -1.226 56.606 58.200 -0.612 0.000 0.950 664 S CB 2.262 65.164 63.200 -0.496 0.000 1.056 664 S HN 0.021 nan 8.310 nan 0.000 0.481 665 P HA -0.010 nan 4.420 nan 0.000 0.230 665 P C 0.017 177.304 177.300 -0.022 0.000 1.158 665 P CA 0.625 63.652 63.100 -0.122 0.000 0.769 665 P CB -0.566 31.073 31.700 -0.101 0.000 0.807 666 D N 0.065 120.470 120.400 0.010 0.000 2.363 666 D HA 0.163 4.803 4.640 -0.000 0.000 0.240 666 D C -0.068 176.354 176.300 0.203 0.000 1.236 666 D CA -0.437 53.620 54.000 0.096 0.000 0.927 666 D CB 0.134 40.994 40.800 0.101 0.000 1.150 666 D HN -0.168 nan 8.370 nan 0.000 0.458 667 S N -0.603 115.175 115.700 0.131 0.000 2.472 667 S HA 0.655 5.125 4.470 -0.000 0.000 0.303 667 S C -0.687 173.950 174.600 0.062 0.000 1.099 667 S CA -0.508 57.751 58.200 0.098 0.000 1.077 667 S CB 0.397 63.633 63.200 0.059 0.000 1.031 667 S HN 0.847 nan 8.310 nan 0.000 0.487 668 V N 1.398 121.315 119.914 0.006 0.000 3.206 668 V HA 0.736 4.855 4.120 -0.000 0.000 0.305 668 V C -1.339 174.760 176.094 0.009 0.000 1.257 668 V CA -0.953 61.351 62.300 0.006 0.000 1.057 668 V CB 1.948 33.771 31.823 0.000 0.000 1.075 668 V HN 0.749 nan 8.190 nan 0.000 0.443 669 E N 1.043 121.265 120.200 0.037 0.000 2.179 669 E HA 0.381 4.731 4.350 -0.000 0.000 0.275 669 E C -1.903 174.765 176.600 0.114 0.000 0.945 669 E CA -0.039 56.394 56.400 0.055 0.000 0.792 669 E CB 2.454 32.167 29.700 0.022 0.000 1.125 669 E HN 0.819 nan 8.360 nan 0.000 0.397 670 W N 3.869 125.126 121.300 -0.072 0.000 2.587 670 W HA 0.285 4.945 4.660 -0.000 0.000 0.324 670 W C -0.283 176.193 176.519 -0.073 0.000 1.040 670 W CA -0.665 56.637 57.345 -0.071 0.000 1.222 670 W CB 0.946 30.354 29.460 -0.087 0.000 1.381 670 W HN 0.211 nan 8.180 nan 0.000 0.483 671 R N 5.308 125.337 120.500 -0.786 0.000 2.265 671 R HA 0.270 4.610 4.340 -0.000 0.000 0.314 671 R C -0.575 175.011 176.300 -1.190 0.000 1.053 671 R CA -0.722 54.941 56.100 -0.729 0.000 0.931 671 R CB 0.832 30.839 30.300 -0.488 0.000 1.024 671 R HN 0.470 nan 8.270 nan 0.000 0.457 672 L N 5.894 126.675 121.223 -0.737 0.000 2.464 672 L HA 0.139 4.479 4.340 -0.000 0.000 0.264 672 L C -0.928 175.669 176.870 -0.455 0.000 1.199 672 L CA -0.944 53.511 54.840 -0.641 0.000 0.818 672 L CB 0.249 42.101 42.059 -0.344 0.000 1.102 672 L HN 0.485 nan 8.230 nan 0.000 0.473 673 P HA -0.015 nan 4.420 nan 0.000 0.245 673 P C -0.943 176.298 177.300 -0.098 0.000 1.212 673 P CA 0.530 63.526 63.100 -0.174 0.000 0.774 673 P CB -0.022 31.624 31.700 -0.091 0.000 0.999 674 N N -1.713 116.940 118.700 -0.077 0.000 3.277 674 N HA 0.172 4.912 4.740 -0.000 0.000 0.278 674 N C -0.733 174.776 175.510 -0.001 0.000 1.544 674 N CA -0.660 52.383 53.050 -0.012 0.000 0.869 674 N CB -0.258 38.264 38.487 0.058 0.000 1.584 674 N HN -0.435 nan 8.380 nan 0.000 0.564 675 D N -0.454 119.958 120.400 0.021 0.000 2.424 675 D HA 0.345 4.985 4.640 -0.000 0.000 0.220 675 D C -0.155 176.176 176.300 0.052 0.000 1.150 675 D CA -0.084 53.927 54.000 0.019 0.000 0.831 675 D CB 0.018 40.816 40.800 -0.004 0.000 0.981 675 D HN 0.467 nan 8.370 nan 0.000 0.500 676 I N 1.618 122.251 120.570 0.106 0.000 2.575 676 I HA 0.139 4.309 4.170 -0.000 0.000 0.285 676 I C -2.070 174.115 176.117 0.114 0.000 1.085 676 I CA -1.784 59.556 61.300 0.067 0.000 1.403 676 I CB 0.657 38.661 38.000 0.006 0.000 1.409 676 I HN -0.347 nan 8.210 nan 0.000 0.557 677 P HA 0.177 nan 4.420 nan 0.000 0.276 677 P C -1.371 175.875 177.300 -0.089 0.000 1.243 677 P CA 0.204 63.307 63.100 0.005 0.000 0.768 677 P CB 0.318 31.992 31.700 -0.044 0.000 0.856 678 Y N 1.533 121.753 120.300 -0.133 0.000 2.587 678 Y HA 0.492 5.042 4.550 -0.000 0.000 0.337 678 Y C 1.002 176.711 175.900 -0.319 0.000 1.065 678 Y CA -0.770 57.198 58.100 -0.220 0.000 1.126 678 Y CB 1.459 39.816 38.460 -0.173 0.000 1.279 678 Y HN 0.068 nan 8.280 nan 0.000 0.489 679 R N 2.185 122.421 120.500 -0.440 0.000 2.265 679 R HA 0.248 4.588 4.340 -0.000 0.000 0.319 679 R C -0.965 175.057 176.300 -0.464 0.000 1.006 679 R CA -0.736 54.991 56.100 -0.622 0.000 0.880 679 R CB 1.161 30.647 30.300 -1.356 0.000 1.077 679 R HN 0.524 nan 8.270 nan 0.000 0.454 680 L N 6.564 127.652 121.223 -0.224 0.000 2.334 680 L HA 0.049 4.389 4.340 -0.000 0.000 0.286 680 L C 0.826 177.663 176.870 -0.055 0.000 1.108 680 L CA 0.226 54.996 54.840 -0.117 0.000 0.875 680 L CB 0.432 42.456 42.059 -0.060 0.000 1.246 680 L HN 0.562 nan 8.230 nan 0.000 0.439 681 L N 5.345 126.562 121.223 -0.010 0.000 2.307 681 L HA 0.118 4.458 4.340 -0.000 0.000 0.211 681 L C 0.290 177.190 176.870 0.049 0.000 1.099 681 L CA 0.766 55.696 54.840 0.151 0.000 0.816 681 L CB 0.389 42.664 42.059 0.360 0.000 0.952 681 L HN 0.714 nan 8.230 nan 0.000 0.455 682 C N 0.617 119.862 119.300 -0.092 0.000 3.171 682 C HA 0.605 5.065 4.460 -0.000 0.000 0.336 682 C C -1.449 173.456 174.990 -0.141 0.000 1.198 682 C CA -0.585 58.291 59.018 -0.236 0.000 1.319 682 C CB 1.239 28.567 27.740 -0.687 0.000 1.682 682 C HN 0.679 nan 8.230 nan 0.000 0.497 683 D N 2.939 123.284 120.400 -0.092 0.000 2.744 683 D HA 0.543 5.183 4.640 -0.000 0.000 0.304 683 D C -2.520 173.763 176.300 -0.030 0.000 1.179 683 D CA -1.200 52.770 54.000 -0.050 0.000 1.024 683 D CB 0.474 41.260 40.800 -0.023 0.000 1.453 683 D HN 0.173 nan 8.370 nan 0.000 0.529 684 P HA -0.129 nan 4.420 nan 0.000 0.218 684 P C 1.076 178.348 177.300 -0.046 0.000 1.146 684 P CA 2.117 65.210 63.100 -0.011 0.000 0.820 684 P CB 0.038 31.752 31.700 0.024 0.000 0.778 685 S N -2.433 113.255 115.700 -0.020 0.000 2.603 685 S HA 0.379 4.849 4.470 -0.000 0.000 0.220 685 S C 1.023 175.625 174.600 0.003 0.000 0.967 685 S CA 0.328 58.523 58.200 -0.008 0.000 0.920 685 S CB -0.701 62.513 63.200 0.024 0.000 0.773 685 S HN 0.339 nan 8.310 nan 0.000 0.529 686 G N 0.347 109.148 108.800 0.002 0.000 2.384 686 G HA2 0.110 4.070 3.960 -0.000 0.000 0.668 686 G HA3 0.110 4.070 3.960 -0.000 0.000 0.668 686 G C -0.817 174.205 174.900 0.203 0.000 1.280 686 G CA -0.969 44.220 45.100 0.149 0.000 0.992 686 G HN 0.201 nan 8.290 nan 0.000 0.512 687 F N 1.059 121.151 119.950 0.238 0.000 2.496 687 F HA 0.420 4.947 4.527 -0.000 0.000 0.344 687 F C 1.211 177.100 175.800 0.148 0.000 1.155 687 F CA 0.209 58.320 58.000 0.184 0.000 1.302 687 F CB 0.837 39.932 39.000 0.157 0.000 1.159 687 F HN 0.229 nan 8.300 nan 0.000 0.595 688 Q N 2.436 122.410 119.800 0.290 0.000 2.278 688 Q HA 0.156 4.496 4.340 -0.000 0.000 0.257 688 Q C 0.879 177.014 176.000 0.225 0.000 0.928 688 Q CA -0.223 55.703 55.803 0.206 0.000 0.932 688 Q CB 1.240 30.059 28.738 0.136 0.000 1.221 688 Q HN 0.738 nan 8.270 nan 0.000 0.434 689 E N 1.404 121.717 120.200 0.187 0.000 2.086 689 E HA -0.211 4.139 4.350 -0.000 0.000 0.200 689 E C -0.384 176.311 176.600 0.159 0.000 1.012 689 E CA 1.637 58.138 56.400 0.168 0.000 0.812 689 E CB 0.220 29.999 29.700 0.133 0.000 0.743 689 E HN 0.579 nan 8.360 nan 0.000 0.453 690 D N -0.238 120.245 120.400 0.137 0.000 2.346 690 D HA 0.228 4.868 4.640 -0.000 0.000 0.255 690 D C -2.736 173.629 176.300 0.109 0.000 1.276 690 D CA -2.243 51.833 54.000 0.126 0.000 0.941 690 D CB 0.845 41.703 40.800 0.097 0.000 1.199 690 D HN -0.239 nan 8.370 nan 0.000 0.537 691 P HA 0.053 nan 4.420 nan 0.000 0.260 691 P C 0.378 177.682 177.300 0.008 0.000 1.172 691 P CA 0.355 63.495 63.100 0.067 0.000 0.760 691 P CB 0.532 32.286 31.700 0.089 0.000 0.773 692 T N -0.044 114.502 114.554 -0.013 0.000 2.897 692 T HA 0.429 4.779 4.350 -0.000 0.000 0.278 692 T C -0.039 174.622 174.700 -0.065 0.000 0.981 692 T CA -0.919 61.167 62.100 -0.023 0.000 0.973 692 T CB 1.155 70.020 68.868 -0.005 0.000 1.092 692 T HN 0.259 nan 8.240 nan 0.000 0.543 693 E N 0.102 120.270 120.200 -0.054 0.000 2.204 693 E HA 0.557 4.907 4.350 -0.000 0.000 0.276 693 E C -0.700 175.881 176.600 -0.032 0.000 0.974 693 E CA -0.869 55.492 56.400 -0.064 0.000 0.815 693 E CB 1.395 31.059 29.700 -0.060 0.000 1.119 693 E HN 0.652 nan 8.360 nan 0.000 0.393 694 I N -1.228 119.332 120.570 -0.017 0.000 2.828 694 I HA 0.540 4.710 4.170 -0.000 0.000 0.302 694 I C -0.972 175.162 176.117 0.028 0.000 1.101 694 I CA -0.798 60.502 61.300 0.001 0.000 1.031 694 I CB 1.758 39.756 38.000 -0.004 0.000 1.231 694 I HN 0.237 nan 8.210 nan 0.000 0.427 695 K N 3.006 123.415 120.400 0.015 0.000 2.435 695 K HA 0.576 4.896 4.320 -0.000 0.000 0.251 695 K C -0.359 176.235 176.600 -0.010 0.000 0.954 695 K CA -0.965 55.335 56.287 0.022 0.000 0.820 695 K CB 2.273 34.781 32.500 0.012 0.000 1.292 695 K HN 0.698 nan 8.250 nan 0.000 0.436 696 K N -1.197 119.189 120.400 -0.024 0.000 9.558 696 K HA -0.309 4.011 4.320 -0.000 0.000 0.506 696 K C 0.540 177.071 176.600 -0.115 0.000 0.377 696 K CA 2.445 58.689 56.287 -0.073 0.000 1.944 696 K CB -1.469 30.995 32.500 -0.059 0.000 0.745 696 K HN 0.889 nan 8.250 nan 0.000 1.070 697 T N -1.787 112.723 114.554 -0.072 0.000 2.916 697 T HA 0.710 5.059 4.350 -0.000 0.000 0.292 697 T C -0.794 173.906 174.700 -0.000 0.000 1.064 697 T CA -0.496 61.567 62.100 -0.061 0.000 1.011 697 T CB 2.596 71.432 68.868 -0.053 0.000 1.152 697 T HN 0.213 nan 8.240 nan 0.000 0.510 698 V N 0.350 120.298 119.914 0.056 0.000 2.888 698 V HA 0.783 4.903 4.120 -0.000 0.000 0.309 698 V C -0.649 175.487 176.094 0.071 0.000 1.114 698 V CA -0.702 61.638 62.300 0.066 0.000 0.940 698 V CB 1.709 33.588 31.823 0.094 0.000 1.021 698 V HN 1.511 nan 8.190 nan 0.000 0.426 699 A N 5.308 128.148 122.820 0.033 0.000 2.366 699 A HA 0.692 5.012 4.320 -0.000 0.000 0.272 699 A C -0.523 177.061 177.584 0.000 0.000 1.135 699 A CA -0.284 51.766 52.037 0.021 0.000 0.804 699 A CB 0.898 19.907 19.000 0.014 0.000 1.064 699 A HN 1.165 nan 8.150 nan 0.000 0.499 700 V N 5.188 125.085 119.914 -0.029 0.000 2.257 700 V HA 0.172 4.291 4.120 -0.000 0.000 0.269 700 V C -0.505 175.560 176.094 -0.048 0.000 1.040 700 V CA -0.879 61.369 62.300 -0.088 0.000 0.813 700 V CB 0.434 32.114 31.823 -0.238 0.000 1.065 700 V HN 0.822 nan 8.190 nan 0.000 0.457 701 N N 4.613 123.330 118.700 0.029 0.000 2.437 701 N HA 0.513 5.253 4.740 -0.000 0.000 0.243 701 N C 0.729 176.317 175.510 0.130 0.000 1.041 701 N CA 0.755 53.849 53.050 0.074 0.000 0.940 701 N CB 1.771 40.284 38.487 0.044 0.000 1.133 701 N HN 0.910 nan 8.380 nan 0.000 0.506 702 G N 1.642 110.568 108.800 0.211 0.000 2.698 702 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.233 702 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.233 702 G C -0.223 174.756 174.900 0.132 0.000 1.352 702 G CA -0.736 44.444 45.100 0.133 0.000 0.879 702 G HN 0.542 nan 8.290 nan 0.000 0.567 703 I N 2.193 122.745 120.570 -0.030 0.000 2.533 703 I HA 0.505 4.675 4.170 -0.000 0.000 0.284 703 I C 1.255 177.388 176.117 0.026 0.000 1.109 703 I CA 1.408 62.673 61.300 -0.058 0.000 1.412 703 I CB 0.270 38.212 38.000 -0.096 0.000 1.396 703 I HN 1.495 nan 8.210 nan 0.000 0.543 704 G N 4.098 112.948 108.800 0.084 0.000 2.345 704 G HA2 0.224 4.184 3.960 -0.000 0.000 0.285 704 G HA3 0.224 4.184 3.960 -0.000 0.000 0.285 704 G C -1.247 173.756 174.900 0.171 0.000 1.297 704 G CA -0.724 44.435 45.100 0.100 0.000 0.875 704 G HN 0.426 nan 8.290 nan 0.000 0.506 705 T N -0.144 114.496 114.554 0.143 0.000 2.861 705 T HA 0.646 4.996 4.350 -0.000 0.000 0.287 705 T C -0.653 174.027 174.700 -0.033 0.000 1.003 705 T CA -0.410 61.751 62.100 0.102 0.000 0.977 705 T CB 1.954 70.947 68.868 0.208 0.000 0.996 705 T HN 0.740 nan 8.240 nan 0.000 0.448 706 V N 4.205 124.045 119.914 -0.123 0.000 2.459 706 V HA 0.582 4.702 4.120 -0.000 0.000 0.295 706 V C -0.453 175.522 176.094 -0.197 0.000 1.029 706 V CA -0.762 61.448 62.300 -0.151 0.000 0.874 706 V CB 1.529 33.256 31.823 -0.159 0.000 0.985 706 V HN 0.769 nan 8.190 nan 0.000 0.438 707 I N 5.909 126.386 120.570 -0.155 0.000 2.447 707 I HA 0.506 4.676 4.170 -0.000 0.000 0.287 707 I C -0.864 175.216 176.117 -0.062 0.000 1.023 707 I CA -0.386 60.851 61.300 -0.105 0.000 1.083 707 I CB 1.822 39.796 38.000 -0.044 0.000 1.245 707 I HN 0.330 nan 8.210 nan 0.000 0.434 708 L N 6.832 128.018 121.223 -0.063 0.000 2.342 708 L HA 0.628 4.968 4.340 -0.000 0.000 0.271 708 L C -1.126 175.773 176.870 0.049 0.000 1.008 708 L CA -0.957 53.848 54.840 -0.058 0.000 0.818 708 L CB 1.955 43.950 42.059 -0.107 0.000 1.296 708 L HN 0.516 nan 8.230 nan 0.000 0.427 709 Y N 0.828 121.068 120.300 -0.101 0.000 2.597 709 Y HA 0.721 5.271 4.550 -0.000 0.000 0.340 709 Y C -1.810 173.902 175.900 -0.313 0.000 1.097 709 Y CA -1.337 56.593 58.100 -0.283 0.000 1.037 709 Y CB 1.522 39.335 38.460 -1.079 0.000 1.305 709 Y HN 0.438 nan 8.280 nan 0.000 0.463 710 L N 3.485 124.643 121.223 -0.109 0.000 2.343 710 L HA 0.877 5.217 4.340 -0.000 0.000 0.278 710 L C -0.120 176.749 176.870 -0.003 0.000 0.996 710 L CA -0.898 53.779 54.840 -0.273 0.000 0.831 710 L CB 1.202 42.985 42.059 -0.459 0.000 1.232 710 L HN 1.105 nan 8.230 nan 0.000 0.413 711 A N 3.620 126.470 122.820 0.049 0.000 2.448 711 A HA 0.410 4.730 4.320 -0.000 0.000 0.239 711 A C 0.451 178.137 177.584 0.170 0.000 1.080 711 A CA -0.000 52.172 52.037 0.224 0.000 0.779 711 A CB 0.299 19.431 19.000 0.220 0.000 1.026 711 A HN 0.775 nan 8.150 nan 0.000 0.499 712 S N 0.000 115.831 115.700 0.218 0.000 2.498 712 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 712 S CA 0.000 58.283 58.200 0.139 0.000 1.107 712 S CB 0.000 63.282 63.200 0.136 0.000 0.593 712 S HN 0.000 nan 8.310 nan 0.000 0.517