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 1m9s_1_A DATA FIRST_RESID 36 DATA SEQUENCE ETITVSTPIK QIFPDDAFAE TIKDNLKKKS VTDAVTQNEL NSIDQIIANN DATA SEQUENCE SDIKSVQGIQ YLPNVTKLFL NGNKLTDIKP LTNLKNLGWL FLDENKIKDL DATA SEQUENCE SSLKDLKKLK SLSLEHNGIS DINGLVHLPQ LESLYLGNNK ITDITVLSRL DATA SEQUENCE TKLDTLSLED NQISDIVPLA GLTKLQNLYL SKNHISDLRA LAGLKNLDVL DATA SEQUENCE ELFSQECLNK PINHQSNLVV PNTVKNTDGS LVTPEIISDD GDYEKPNVKW DATA SEQUENCE HLPEFTNEVS FIFYQPVTIG KAKARFHGRV TQPLXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXETTEK TVNLTRYVKY IRGNAGIYKL PREDNSLKQG TLASHRCKAL DATA SEQUENCE TVDREARNGG KLWYRLKNIG WTKAENLSLD RYDKMEYDKG VTAYARVRNA DATA SEQUENCE SGNSVWTKPY NTAGAKHVNK LSVYQGKNMR ILREAKTPIT TWYQFSIGGK DATA SEQUENCE VIGWVDTRAL NTFYKQSMEK PTRLTRYVSA NKAGESYYKV PVADNPVKRG DATA SEQUENCE TLAKYKNQKL IVDCQATIEG QLWYRIRTSS TFIGWTKAAN LRAQ 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 36 E HA 0.000 nan 4.350 nan 0.000 0.291 36 E C 0.000 176.852 176.600 0.420 0.000 1.382 36 E CA 0.000 56.521 56.400 0.201 0.000 0.976 36 E CB 0.000 29.783 29.700 0.139 0.000 0.812 37 T N 1.008 115.730 114.554 0.280 0.000 2.821 37 T HA 0.683 5.033 4.350 0.000 0.000 0.306 37 T C -0.160 174.382 174.700 -0.264 0.000 1.313 37 T CA -0.855 61.235 62.100 -0.017 0.000 1.012 37 T CB 0.365 69.236 68.868 0.006 0.000 1.298 37 T HN 0.675 nan 8.240 nan 0.000 0.502 38 I N -0.483 119.795 120.570 -0.487 0.000 2.612 38 I HA 0.616 4.786 4.170 0.000 0.000 0.295 38 I C 1.103 177.116 176.117 -0.173 0.000 1.011 38 I CA -0.616 60.477 61.300 -0.345 0.000 1.326 38 I CB 1.668 39.429 38.000 -0.398 0.000 1.427 38 I HN 0.825 nan 8.210 nan 0.000 0.537 39 T N 3.586 118.071 114.554 -0.115 0.000 2.914 39 T HA 0.052 4.402 4.350 0.000 0.000 0.240 39 T C 0.729 175.392 174.700 -0.061 0.000 1.025 39 T CA 0.710 62.768 62.100 -0.070 0.000 1.198 39 T CB 0.164 69.004 68.868 -0.047 0.000 0.892 39 T HN 0.493 nan 8.240 nan 0.000 0.417 40 V N 2.633 122.514 119.914 -0.056 0.000 2.775 40 V HA 0.501 4.621 4.120 0.000 0.000 0.299 40 V C 0.493 176.556 176.094 -0.051 0.000 1.062 40 V CA -0.363 61.910 62.300 -0.044 0.000 1.063 40 V CB 1.029 32.832 31.823 -0.034 0.000 0.994 40 V HN 0.676 nan 8.190 nan 0.000 0.483 41 S N 4.586 120.264 115.700 -0.037 0.000 2.550 41 S HA 0.183 4.653 4.470 0.000 0.000 0.285 41 S C 0.031 174.610 174.600 -0.035 0.000 1.326 41 S CA 0.666 58.846 58.200 -0.033 0.000 1.037 41 S CB -0.151 63.037 63.200 -0.020 0.000 0.838 41 S HN 1.116 nan 8.310 nan 0.000 0.519 42 T N 5.550 120.085 114.554 -0.032 0.000 2.932 42 T HA 0.507 4.857 4.350 0.000 0.000 0.318 42 T C -2.986 171.714 174.700 0.001 0.000 1.265 42 T CA -0.839 61.246 62.100 -0.025 0.000 1.036 42 T CB 1.772 70.609 68.868 -0.053 0.000 1.209 42 T HN 0.373 nan 8.240 nan 0.000 0.484 43 P HA 0.348 nan 4.420 nan 0.000 0.272 43 P C 0.719 178.063 177.300 0.074 0.000 1.230 43 P CA -0.415 62.706 63.100 0.034 0.000 0.788 43 P CB 0.611 32.328 31.700 0.028 0.000 0.949 44 I N 1.474 122.104 120.570 0.100 0.000 2.133 44 I HA -0.283 3.888 4.170 0.000 0.000 0.238 44 I C 2.344 178.611 176.117 0.250 0.000 1.074 44 I CA 1.739 63.164 61.300 0.209 0.000 1.342 44 I CB -0.664 37.387 38.000 0.085 0.000 1.053 44 I HN 0.459 nan 8.210 nan 0.000 0.404 45 K N 1.147 121.629 120.400 0.138 0.000 2.173 45 K HA -0.316 4.005 4.320 0.000 0.000 0.207 45 K C 2.014 178.682 176.600 0.114 0.000 1.046 45 K CA 2.059 58.420 56.287 0.124 0.000 0.929 45 K CB -0.438 32.104 32.500 0.071 0.000 0.720 45 K HN 0.227 nan 8.250 nan 0.000 0.453 46 Q N 1.149 121.001 119.800 0.086 0.000 2.224 46 Q HA -0.004 4.336 4.340 0.000 0.000 0.203 46 Q C 1.682 177.702 176.000 0.034 0.000 0.970 46 Q CA 1.552 57.385 55.803 0.051 0.000 0.865 46 Q CB 0.041 28.796 28.738 0.029 0.000 0.922 46 Q HN 0.632 nan 8.270 nan 0.000 0.445 47 I N -1.340 119.244 120.570 0.024 0.000 2.810 47 I HA 0.072 4.242 4.170 0.000 0.000 0.262 47 I C -0.197 175.769 176.117 -0.253 0.000 1.131 47 I CA -0.010 61.203 61.300 -0.145 0.000 1.453 47 I CB 0.323 38.123 38.000 -0.332 0.000 1.161 47 I HN -0.021 nan 8.210 nan 0.000 0.444 48 F N 1.950 121.931 119.950 0.051 0.000 2.309 48 F HA 0.323 4.850 4.527 0.000 0.000 0.366 48 F C -1.730 174.124 175.800 0.091 0.000 1.104 48 F CA -2.304 55.735 58.000 0.065 0.000 1.179 48 F CB -0.055 38.877 39.000 -0.112 0.000 1.437 48 F HN -0.197 nan 8.300 nan 0.000 0.528 49 P HA -0.210 nan 4.420 nan 0.000 0.215 49 P C 0.368 177.774 177.300 0.177 0.000 1.157 49 P CA 1.256 64.452 63.100 0.160 0.000 0.874 49 P CB 0.166 31.935 31.700 0.115 0.000 0.790 50 D N 0.015 120.556 120.400 0.235 0.000 2.368 50 D HA -0.074 4.566 4.640 0.000 0.000 0.268 50 D C 0.545 176.972 176.300 0.211 0.000 1.298 50 D CA 0.248 54.375 54.000 0.211 0.000 0.938 50 D CB 0.171 41.113 40.800 0.236 0.000 1.101 50 D HN -0.019 nan 8.370 nan 0.000 0.509 51 D N 3.737 124.217 120.400 0.133 0.000 2.269 51 D HA -0.265 4.375 4.640 0.000 0.000 0.191 51 D C 1.869 178.225 176.300 0.093 0.000 1.007 51 D CA 2.055 56.112 54.000 0.096 0.000 0.855 51 D CB -0.461 40.378 40.800 0.065 0.000 0.979 51 D HN 0.605 nan 8.370 nan 0.000 0.452 52 A N 0.243 123.123 122.820 0.101 0.000 1.958 52 A HA -0.241 4.079 4.320 0.000 0.000 0.221 52 A C 2.137 179.811 177.584 0.151 0.000 1.178 52 A CA 1.624 53.720 52.037 0.099 0.000 0.642 52 A CB -0.960 18.096 19.000 0.094 0.000 0.816 52 A HN 0.283 nan 8.150 nan 0.000 0.453 53 F N 0.618 120.577 119.950 0.015 0.000 2.206 53 F HA 0.103 4.631 4.527 0.000 0.000 0.298 53 F C 2.460 178.197 175.800 -0.105 0.000 1.090 53 F CA 0.515 58.517 58.000 0.002 0.000 1.323 53 F CB -0.744 38.307 39.000 0.085 0.000 1.028 53 F HN 0.258 nan 8.300 nan 0.000 0.492 54 A N 0.117 122.847 122.820 -0.149 0.000 1.858 54 A HA -0.211 4.109 4.320 0.000 0.000 0.216 54 A C 2.118 179.511 177.584 -0.318 0.000 1.190 54 A CA 1.728 53.554 52.037 -0.352 0.000 0.617 54 A CB -1.058 17.907 19.000 -0.057 0.000 0.827 54 A HN 0.403 nan 8.150 nan 0.000 0.443 55 E N 0.365 120.483 120.200 -0.136 0.000 2.065 55 E HA -0.232 4.118 4.350 0.000 0.000 0.201 55 E C 2.057 178.578 176.600 -0.132 0.000 1.016 55 E CA 2.965 59.306 56.400 -0.099 0.000 0.818 55 E CB -0.750 28.930 29.700 -0.032 0.000 0.749 55 E HN 0.674 nan 8.360 nan 0.000 0.453 56 T N -0.862 113.624 114.554 -0.113 0.000 2.803 56 T HA -0.161 4.189 4.350 0.000 0.000 0.269 56 T C 1.944 176.523 174.700 -0.201 0.000 1.052 56 T CA 1.368 63.413 62.100 -0.092 0.000 1.136 56 T CB -0.302 68.587 68.868 0.035 0.000 0.864 56 T HN 0.091 nan 8.240 nan 0.000 0.467 57 I N 1.850 122.164 120.570 -0.427 0.000 2.163 57 I HA -0.082 4.088 4.170 0.000 0.000 0.240 57 I C 2.637 178.571 176.117 -0.306 0.000 1.081 57 I CA 1.313 62.299 61.300 -0.524 0.000 1.353 57 I CB -1.129 36.225 38.000 -1.077 0.000 1.054 57 I HN 0.360 nan 8.210 nan 0.000 0.407 58 K N 1.199 121.435 120.400 -0.272 0.000 1.998 58 K HA -0.289 4.031 4.320 0.000 0.000 0.228 58 K C 1.723 178.255 176.600 -0.113 0.000 1.053 58 K CA 2.536 58.729 56.287 -0.157 0.000 0.988 58 K CB -0.308 32.120 32.500 -0.119 0.000 0.735 58 K HN 0.286 nan 8.250 nan 0.000 0.448 59 D N 0.366 120.707 120.400 -0.098 0.000 2.170 59 D HA -0.248 4.392 4.640 0.000 0.000 0.193 59 D C 1.853 178.114 176.300 -0.065 0.000 1.004 59 D CA 1.147 55.106 54.000 -0.068 0.000 0.860 59 D CB -0.635 40.131 40.800 -0.056 0.000 0.931 59 D HN 0.443 nan 8.370 nan 0.000 0.448 60 N N 1.006 119.657 118.700 -0.081 0.000 2.043 60 N HA -0.153 4.587 4.740 0.000 0.000 0.193 60 N C 1.758 177.238 175.510 -0.051 0.000 1.037 60 N CA 0.819 53.832 53.050 -0.062 0.000 0.851 60 N CB -0.182 38.261 38.487 -0.074 0.000 1.027 60 N HN 0.200 nan 8.380 nan 0.000 0.422 61 L N 1.008 122.192 121.223 -0.065 0.000 2.645 61 L HA 0.100 4.441 4.340 0.000 0.000 0.235 61 L C 0.589 177.437 176.870 -0.037 0.000 1.150 61 L CA 0.128 54.942 54.840 -0.043 0.000 0.911 61 L CB -0.044 41.988 42.059 -0.045 0.000 1.077 61 L HN 0.103 nan 8.230 nan 0.000 0.438 62 K N -0.999 119.376 120.400 -0.041 0.000 3.274 62 K HA -0.163 4.157 4.320 0.000 0.000 0.305 62 K C 0.264 176.845 176.600 -0.033 0.000 1.225 62 K CA 0.879 57.146 56.287 -0.034 0.000 0.904 62 K CB -1.120 31.365 32.500 -0.025 0.000 1.227 62 K HN 0.267 nan 8.250 nan 0.000 0.453 63 K N 1.429 121.805 120.400 -0.040 0.000 2.234 63 K HA 0.032 4.353 4.320 0.000 0.000 0.251 63 K C 1.642 178.222 176.600 -0.033 0.000 1.011 63 K CA 0.274 56.539 56.287 -0.035 0.000 0.889 63 K CB 0.358 32.833 32.500 -0.042 0.000 1.011 63 K HN 0.150 nan 8.250 nan 0.000 0.505 64 K N 0.269 120.654 120.400 -0.025 0.000 2.020 64 K HA -0.009 4.311 4.320 0.000 0.000 0.206 64 K C 1.052 177.638 176.600 -0.023 0.000 1.038 64 K CA 0.660 56.934 56.287 -0.021 0.000 0.947 64 K CB -0.031 32.460 32.500 -0.016 0.000 0.744 64 K HN 0.430 nan 8.250 nan 0.000 0.442 65 S N -0.525 115.163 115.700 -0.021 0.000 2.548 65 S HA 0.207 4.678 4.470 0.000 0.000 0.286 65 S C 0.880 175.466 174.600 -0.022 0.000 1.098 65 S CA -0.858 57.330 58.200 -0.020 0.000 0.930 65 S CB 1.911 65.104 63.200 -0.011 0.000 1.070 65 S HN 0.004 nan 8.310 nan 0.000 0.480 66 V N 3.572 123.471 119.914 -0.024 0.000 2.636 66 V HA -0.197 3.923 4.120 0.000 0.000 0.258 66 V C 2.670 178.764 176.094 0.000 0.000 1.092 66 V CA 2.532 64.818 62.300 -0.023 0.000 1.110 66 V CB -1.737 30.077 31.823 -0.015 0.000 0.685 66 V HN 1.025 nan 8.190 nan 0.000 0.481 67 T N -2.815 111.740 114.554 0.002 0.000 2.857 67 T HA -0.088 4.262 4.350 0.000 0.000 0.266 67 T C 0.727 175.433 174.700 0.009 0.000 1.048 67 T CA 0.417 62.522 62.100 0.010 0.000 1.139 67 T CB -0.434 68.438 68.868 0.006 0.000 0.874 67 T HN 0.474 nan 8.240 nan 0.000 0.455 68 D N 2.605 123.006 120.400 0.002 0.000 2.515 68 D HA 0.331 4.971 4.640 0.000 0.000 0.230 68 D C 0.283 176.588 176.300 0.008 0.000 1.181 68 D CA 0.623 54.624 54.000 0.001 0.000 0.875 68 D CB 0.493 41.289 40.800 -0.007 0.000 1.213 68 D HN 0.610 nan 8.370 nan 0.000 0.478 69 A N 0.887 123.711 122.820 0.006 0.000 2.264 69 A HA 0.651 4.971 4.320 0.000 0.000 0.304 69 A C -0.063 177.527 177.584 0.009 0.000 1.100 69 A CA -0.537 51.505 52.037 0.009 0.000 0.839 69 A CB 1.119 20.120 19.000 0.002 0.000 1.121 69 A HN 0.463 nan 8.150 nan 0.000 0.496 70 V N -1.977 117.944 119.914 0.012 0.000 3.147 70 V HA 0.866 4.986 4.120 0.000 0.000 0.306 70 V C -0.181 175.912 176.094 -0.002 0.000 1.209 70 V CA -0.092 62.216 62.300 0.013 0.000 1.023 70 V CB 1.212 33.058 31.823 0.037 0.000 1.059 70 V HN 1.378 nan 8.190 nan 0.000 0.435 71 T N -0.885 113.667 114.554 -0.004 0.000 2.944 71 T HA 0.461 4.811 4.350 0.000 0.000 0.284 71 T C 0.670 175.360 174.700 -0.017 0.000 1.010 71 T CA 0.105 62.194 62.100 -0.018 0.000 1.025 71 T CB 1.792 70.653 68.868 -0.012 0.000 1.079 71 T HN 0.848 nan 8.240 nan 0.000 0.516 72 Q N 0.755 120.534 119.800 -0.036 0.000 2.084 72 Q HA -0.113 4.227 4.340 0.000 0.000 0.202 72 Q C 1.977 177.981 176.000 0.007 0.000 0.978 72 Q CA 1.841 57.627 55.803 -0.029 0.000 0.844 72 Q CB -0.671 28.039 28.738 -0.047 0.000 0.898 72 Q HN 0.710 nan 8.270 nan 0.000 0.426 73 N N 0.286 118.988 118.700 0.005 0.000 2.272 73 N HA -0.163 4.577 4.740 0.000 0.000 0.185 73 N C 1.284 176.807 175.510 0.022 0.000 1.014 73 N CA 1.366 54.425 53.050 0.014 0.000 0.870 73 N CB -0.002 38.490 38.487 0.008 0.000 0.975 73 N HN 0.524 nan 8.380 nan 0.000 0.433 74 E N 0.518 120.730 120.200 0.021 0.000 2.158 74 E HA 0.017 4.367 4.350 0.000 0.000 0.191 74 E C 2.062 178.689 176.600 0.045 0.000 0.982 74 E CA 0.280 56.696 56.400 0.026 0.000 0.823 74 E CB 0.060 29.772 29.700 0.020 0.000 0.766 74 E HN 0.311 nan 8.360 nan 0.000 0.468 75 L N 1.060 122.319 121.223 0.060 0.000 2.056 75 L HA -0.150 4.190 4.340 0.000 0.000 0.207 75 L C 1.849 178.776 176.870 0.094 0.000 1.078 75 L CA 1.146 56.047 54.840 0.101 0.000 0.749 75 L CB -0.490 41.640 42.059 0.118 0.000 0.901 75 L HN 0.146 nan 8.230 nan 0.000 0.433 76 N N -0.336 118.407 118.700 0.071 0.000 2.453 76 N HA -0.143 4.597 4.740 0.000 0.000 0.183 76 N C 1.769 177.315 175.510 0.060 0.000 1.041 76 N CA 1.070 54.160 53.050 0.067 0.000 0.900 76 N CB -0.020 38.497 38.487 0.051 0.000 0.961 76 N HN 0.332 nan 8.380 nan 0.000 0.443 77 S N 0.435 116.166 115.700 0.052 0.000 2.603 77 S HA 0.091 4.562 4.470 0.000 0.000 0.220 77 S C 0.617 175.247 174.600 0.051 0.000 0.967 77 S CA -0.092 58.134 58.200 0.044 0.000 0.920 77 S CB -0.278 62.941 63.200 0.031 0.000 0.773 77 S HN 0.144 nan 8.310 nan 0.000 0.529 78 I N 3.171 123.780 120.570 0.066 0.000 2.325 78 I HA 0.254 4.424 4.170 0.000 0.000 0.291 78 I C 0.769 176.940 176.117 0.090 0.000 1.019 78 I CA -0.328 61.017 61.300 0.074 0.000 1.302 78 I CB 1.105 39.158 38.000 0.089 0.000 1.401 78 I HN 0.300 nan 8.210 nan 0.000 0.485 79 D N 4.423 124.876 120.400 0.089 0.000 2.489 79 D HA 0.005 4.645 4.640 0.000 0.000 0.231 79 D C 0.335 176.711 176.300 0.128 0.000 1.114 79 D CA 0.056 54.120 54.000 0.107 0.000 0.842 79 D CB 0.795 41.653 40.800 0.097 0.000 1.133 79 D HN 0.583 nan 8.370 nan 0.000 0.506 80 Q N 0.092 119.959 119.800 0.112 0.000 2.399 80 Q HA 0.688 5.028 4.340 0.000 0.000 0.276 80 Q C -1.536 174.544 176.000 0.134 0.000 1.098 80 Q CA -0.804 55.078 55.803 0.132 0.000 0.827 80 Q CB 2.362 31.151 28.738 0.086 0.000 1.386 80 Q HN 0.098 nan 8.270 nan 0.000 0.443 81 I N 3.958 124.636 120.570 0.181 0.000 2.637 81 I HA 0.224 4.394 4.170 0.000 0.000 0.285 81 I C -1.233 175.016 176.117 0.220 0.000 1.222 81 I CA -0.548 60.859 61.300 0.178 0.000 1.067 81 I CB 1.773 39.906 38.000 0.221 0.000 1.279 81 I HN 0.602 nan 8.210 nan 0.000 0.441 82 I N 5.650 126.298 120.570 0.130 0.000 2.442 82 I HA 0.372 4.542 4.170 0.000 0.000 0.279 82 I C 0.750 176.920 176.117 0.088 0.000 1.081 82 I CA -0.259 61.096 61.300 0.093 0.000 1.197 82 I CB 0.889 38.850 38.000 -0.065 0.000 1.394 82 I HN 0.561 nan 8.210 nan 0.000 0.488 83 A N 5.284 128.189 122.820 0.140 0.000 3.232 83 A HA 0.417 4.738 4.320 0.000 0.000 0.312 83 A C 0.029 177.672 177.584 0.098 0.000 1.185 83 A CA -0.557 51.550 52.037 0.117 0.000 1.011 83 A CB -0.422 18.675 19.000 0.162 0.000 1.096 83 A HN 0.520 nan 8.150 nan 0.000 0.543 84 N N 1.434 120.181 118.700 0.077 0.000 2.488 84 N HA 0.189 4.929 4.740 0.000 0.000 0.274 84 N C -0.332 175.204 175.510 0.044 0.000 1.111 84 N CA 0.085 53.177 53.050 0.070 0.000 0.974 84 N CB 0.398 38.918 38.487 0.056 0.000 1.089 84 N HN 0.496 nan 8.380 nan 0.000 0.465 85 N N -0.289 118.435 118.700 0.042 0.000 2.727 85 N HA -0.170 4.570 4.740 0.000 0.000 0.251 85 N C -0.865 174.661 175.510 0.027 0.000 1.040 85 N CA 0.583 53.649 53.050 0.026 0.000 0.712 85 N CB -1.362 37.134 38.487 0.015 0.000 0.912 85 N HN 0.387 nan 8.380 nan 0.000 0.545 86 S N -0.461 115.261 115.700 0.037 0.000 2.562 86 S HA 0.140 4.610 4.470 0.000 0.000 0.246 86 S C -0.075 174.550 174.600 0.043 0.000 1.056 86 S CA -0.514 57.712 58.200 0.043 0.000 1.042 86 S CB 0.177 63.416 63.200 0.066 0.000 0.822 86 S HN 0.497 nan 8.310 nan 0.000 0.465 87 D N 1.715 122.133 120.400 0.030 0.000 2.713 87 D HA -0.179 4.461 4.640 0.000 0.000 0.231 87 D C -0.560 175.761 176.300 0.035 0.000 1.173 87 D CA 0.611 54.627 54.000 0.027 0.000 0.628 87 D CB -1.117 39.698 40.800 0.026 0.000 1.033 87 D HN 0.500 nan 8.370 nan 0.000 0.419 88 I N 0.350 120.939 120.570 0.031 0.000 2.312 88 I HA 0.100 4.270 4.170 0.000 0.000 0.291 88 I C 1.488 177.604 176.117 -0.001 0.000 1.031 88 I CA -0.406 60.910 61.300 0.028 0.000 1.293 88 I CB 1.248 39.251 38.000 0.004 0.000 1.403 88 I HN -0.025 nan 8.210 nan 0.000 0.484 89 K N 2.784 123.191 120.400 0.012 0.000 2.211 89 K HA 0.114 4.434 4.320 0.000 0.000 0.201 89 K C 0.697 177.287 176.600 -0.017 0.000 1.052 89 K CA 0.451 56.739 56.287 0.002 0.000 0.973 89 K CB 0.346 32.857 32.500 0.018 0.000 0.766 89 K HN 0.567 nan 8.250 nan 0.000 0.466 90 S N -0.296 115.394 115.700 -0.018 0.000 2.588 90 S HA 0.327 4.798 4.470 0.000 0.000 0.275 90 S C -0.391 174.132 174.600 -0.128 0.000 1.130 90 S CA -0.883 57.291 58.200 -0.042 0.000 0.855 90 S CB 1.998 65.208 63.200 0.016 0.000 1.116 90 S HN -0.001 nan 8.310 nan 0.000 0.472 91 V N 1.065 120.863 119.914 -0.194 0.000 3.078 91 V HA 0.484 4.604 4.120 0.000 0.000 0.344 91 V C 0.099 176.231 176.094 0.063 0.000 1.409 91 V CA -0.271 61.771 62.300 -0.430 0.000 1.146 91 V CB -0.167 31.273 31.823 -0.639 0.000 1.126 91 V HN 0.768 nan 8.190 nan 0.000 0.513 92 Q N 1.960 121.821 119.800 0.101 0.000 2.304 92 Q HA 0.420 4.760 4.340 0.000 0.000 0.301 92 Q C 1.308 177.370 176.000 0.103 0.000 1.063 92 Q CA 2.084 57.930 55.803 0.072 0.000 0.947 92 Q CB 0.409 29.174 28.738 0.044 0.000 1.201 92 Q HN 1.381 nan 8.270 nan 0.000 0.389 93 G N 3.842 112.597 108.800 -0.075 0.000 2.259 93 G HA2 -0.293 3.668 3.960 0.000 0.000 0.217 93 G HA3 -0.293 3.668 3.960 0.000 0.000 0.217 93 G C 0.689 175.463 174.900 -0.210 0.000 1.001 93 G CA 0.090 45.025 45.100 -0.275 0.000 0.627 93 G HN 0.770 nan 8.290 nan 0.000 0.501 94 I N 1.492 122.141 120.570 0.130 0.000 3.164 94 I HA -0.058 4.112 4.170 0.000 0.000 0.278 94 I C 2.154 178.301 176.117 0.050 0.000 1.320 94 I CA 1.492 62.949 61.300 0.261 0.000 1.422 94 I CB 0.058 38.279 38.000 0.368 0.000 1.066 94 I HN 0.351 nan 8.210 nan 0.000 0.503 95 Q N -0.561 119.135 119.800 -0.173 0.000 2.435 95 Q HA -0.087 4.253 4.340 0.000 0.000 0.207 95 Q C 0.769 176.647 176.000 -0.204 0.000 0.956 95 Q CA 1.009 56.668 55.803 -0.241 0.000 0.917 95 Q CB -0.134 28.359 28.738 -0.409 0.000 0.997 95 Q HN 0.635 nan 8.270 nan 0.000 0.497 96 Y N -0.356 119.947 120.300 0.005 0.000 2.583 96 Y HA 0.245 4.795 4.550 0.000 0.000 0.294 96 Y C 0.058 175.990 175.900 0.054 0.000 1.170 96 Y CA -0.356 57.745 58.100 0.001 0.000 1.265 96 Y CB 0.537 38.959 38.460 -0.063 0.000 1.119 96 Y HN -0.022 nan 8.280 nan 0.000 0.522 97 L N 2.374 123.713 121.223 0.193 0.000 2.594 97 L HA 0.243 4.583 4.340 0.000 0.000 0.245 97 L C -1.752 175.193 176.870 0.125 0.000 1.460 97 L CA -1.285 53.659 54.840 0.172 0.000 0.865 97 L CB 0.844 43.025 42.059 0.204 0.000 1.131 97 L HN -0.055 nan 8.230 nan 0.000 0.506 98 P HA -0.147 nan 4.420 nan 0.000 0.223 98 P C 0.321 177.666 177.300 0.074 0.000 1.144 98 P CA 1.208 64.356 63.100 0.079 0.000 0.783 98 P CB 0.297 32.042 31.700 0.075 0.000 0.771 99 N N -0.374 118.377 118.700 0.085 0.000 2.273 99 N HA 0.102 4.842 4.740 0.000 0.000 0.231 99 N C -0.077 175.492 175.510 0.098 0.000 1.134 99 N CA -0.144 52.955 53.050 0.082 0.000 0.856 99 N CB 0.733 39.265 38.487 0.074 0.000 1.068 99 N HN 0.042 nan 8.380 nan 0.000 0.510 100 V N 1.297 121.276 119.914 0.108 0.000 2.614 100 V HA 0.135 4.255 4.120 0.000 0.000 0.291 100 V C 1.592 177.765 176.094 0.131 0.000 1.049 100 V CA 0.339 62.715 62.300 0.127 0.000 1.038 100 V CB 1.249 33.155 31.823 0.139 0.000 0.980 100 V HN 0.361 nan 8.190 nan 0.000 0.481 101 T N 0.490 115.146 114.554 0.170 0.000 2.980 101 T HA 0.287 4.637 4.350 0.000 0.000 0.252 101 T C 0.418 175.311 174.700 0.322 0.000 0.962 101 T CA -0.204 62.028 62.100 0.220 0.000 0.932 101 T CB 0.302 69.331 68.868 0.268 0.000 1.188 101 T HN 0.487 nan 8.240 nan 0.000 0.500 102 K N 1.012 121.588 120.400 0.294 0.000 2.292 102 K HA 0.696 5.016 4.320 0.000 0.000 0.257 102 K C -1.992 174.719 176.600 0.185 0.000 0.940 102 K CA -0.920 55.548 56.287 0.300 0.000 0.811 102 K CB 2.460 35.168 32.500 0.346 0.000 1.120 102 K HN 0.086 nan 8.250 nan 0.000 0.428 103 L N 4.126 125.338 121.223 -0.018 0.000 2.568 103 L HA 0.417 4.758 4.340 0.000 0.000 0.262 103 L C -1.980 174.804 176.870 -0.144 0.000 0.980 103 L CA -0.329 54.528 54.840 0.027 0.000 0.882 103 L CB 0.657 42.749 42.059 0.055 0.000 1.198 103 L HN 0.451 nan 8.230 nan 0.000 0.425 104 F N 5.976 125.973 119.950 0.078 0.000 2.332 104 F HA 0.505 5.032 4.527 0.000 0.000 0.368 104 F C 0.424 176.271 175.800 0.077 0.000 1.110 104 F CA -0.479 57.564 58.000 0.072 0.000 1.087 104 F CB 1.098 40.068 39.000 -0.050 0.000 1.235 104 F HN 0.264 nan 8.300 nan 0.000 0.470 105 L N 3.565 124.912 121.223 0.205 0.000 3.168 105 L HA 0.283 4.623 4.340 0.000 0.000 0.277 105 L C 0.161 177.103 176.870 0.121 0.000 1.308 105 L CA -0.186 54.730 54.840 0.126 0.000 0.976 105 L CB -0.320 41.766 42.059 0.045 0.000 1.383 105 L HN 0.549 nan 8.230 nan 0.000 0.572 106 N N 0.345 119.149 118.700 0.173 0.000 2.371 106 N HA 0.157 4.897 4.740 0.000 0.000 0.243 106 N C 1.107 176.668 175.510 0.084 0.000 1.287 106 N CA 0.527 53.664 53.050 0.144 0.000 0.911 106 N CB 0.454 39.053 38.487 0.188 0.000 1.142 106 N HN 0.361 nan 8.380 nan 0.000 0.451 107 G N 0.301 109.136 108.800 0.059 0.000 2.390 107 G HA2 -0.327 3.634 3.960 0.000 0.000 0.299 107 G HA3 -0.327 3.634 3.960 0.000 0.000 0.299 107 G C -0.101 174.812 174.900 0.023 0.000 1.002 107 G CA 0.540 45.657 45.100 0.028 0.000 0.979 107 G HN 0.724 nan 8.290 nan 0.000 0.513 108 N N -1.042 117.673 118.700 0.024 0.000 2.948 108 N HA 0.542 5.282 4.740 0.000 0.000 0.323 108 N C 0.472 175.986 175.510 0.008 0.000 1.374 108 N CA -0.821 52.238 53.050 0.015 0.000 0.765 108 N CB 0.700 39.193 38.487 0.009 0.000 1.152 108 N HN 0.108 nan 8.380 nan 0.000 0.528 109 K N 0.823 121.224 120.400 0.002 0.000 3.165 109 K HA 0.352 4.673 4.320 0.000 0.000 0.206 109 K C -1.035 175.561 176.600 -0.006 0.000 1.123 109 K CA -0.086 56.201 56.287 0.001 0.000 0.978 109 K CB 0.393 32.895 32.500 0.004 0.000 0.749 109 K HN 0.292 nan 8.250 nan 0.000 0.454 110 L N 0.628 121.843 121.223 -0.012 0.000 2.418 110 L HA 0.258 4.598 4.340 0.000 0.000 0.265 110 L C 1.386 178.248 176.870 -0.013 0.000 1.143 110 L CA 0.296 55.122 54.840 -0.023 0.000 0.809 110 L CB 1.158 43.194 42.059 -0.037 0.000 1.124 110 L HN 0.322 nan 8.230 nan 0.000 0.456 111 T N -4.507 110.038 114.554 -0.016 0.000 3.073 111 T HA 0.140 4.490 4.350 0.000 0.000 0.264 111 T C -0.087 174.604 174.700 -0.014 0.000 0.893 111 T CA -0.367 61.727 62.100 -0.010 0.000 0.863 111 T CB 0.304 69.169 68.868 -0.006 0.000 1.247 111 T HN 0.448 nan 8.240 nan 0.000 0.546 112 D N 1.244 121.631 120.400 -0.022 0.000 2.457 112 D HA 0.518 5.159 4.640 0.000 0.000 0.240 112 D C 0.184 176.463 176.300 -0.034 0.000 1.041 112 D CA -0.873 53.112 54.000 -0.025 0.000 0.861 112 D CB 2.151 42.937 40.800 -0.023 0.000 1.394 112 D HN 0.479 nan 8.370 nan 0.000 0.473 113 I N -0.536 120.014 120.570 -0.032 0.000 3.820 113 I HA 0.273 4.444 4.170 0.000 0.000 0.323 113 I C 0.896 176.992 176.117 -0.036 0.000 1.482 113 I CA -0.571 60.707 61.300 -0.037 0.000 1.048 113 I CB 0.588 38.570 38.000 -0.031 0.000 1.436 113 I HN -0.002 nan 8.210 nan 0.000 0.575 114 K N 2.465 122.844 120.400 -0.035 0.000 2.160 114 K HA -0.020 4.300 4.320 0.000 0.000 0.206 114 K C -0.795 175.779 176.600 -0.043 0.000 1.047 114 K CA 2.111 58.376 56.287 -0.037 0.000 0.930 114 K CB -1.392 31.087 32.500 -0.035 0.000 0.720 114 K HN 0.357 nan 8.250 nan 0.000 0.450 115 P HA -0.145 nan 4.420 nan 0.000 0.216 115 P C 0.830 178.105 177.300 -0.042 0.000 1.150 115 P CA 1.073 64.141 63.100 -0.053 0.000 0.837 115 P CB 0.037 31.709 31.700 -0.046 0.000 0.786 116 L N -1.671 119.534 121.223 -0.030 0.000 2.191 116 L HA -0.161 4.180 4.340 0.000 0.000 0.212 116 L C 2.130 178.986 176.870 -0.023 0.000 1.103 116 L CA 1.474 56.303 54.840 -0.018 0.000 0.769 116 L CB -1.904 40.145 42.059 -0.016 0.000 0.908 116 L HN 0.067 nan 8.230 nan 0.000 0.438 117 T N 0.731 115.265 114.554 -0.032 0.000 2.616 117 T HA -0.296 4.055 4.350 0.000 0.000 0.261 117 T C 1.236 175.916 174.700 -0.032 0.000 1.105 117 T CA 2.490 64.568 62.100 -0.036 0.000 1.159 117 T CB -0.430 68.413 68.868 -0.042 0.000 0.856 117 T HN 0.426 nan 8.240 nan 0.000 0.449 118 N N 0.558 119.240 118.700 -0.030 0.000 2.235 118 N HA 0.262 5.002 4.740 0.000 0.000 0.209 118 N C -0.255 175.250 175.510 -0.008 0.000 1.122 118 N CA -0.005 53.032 53.050 -0.022 0.000 0.845 118 N CB 0.019 38.492 38.487 -0.023 0.000 1.004 118 N HN 0.358 nan 8.380 nan 0.000 0.499 119 L N 1.131 122.352 121.223 -0.003 0.000 2.376 119 L HA 0.138 4.478 4.340 0.000 0.000 0.250 119 L C 1.207 178.084 176.870 0.011 0.000 1.335 119 L CA -0.072 54.777 54.840 0.015 0.000 1.214 119 L CB -0.111 41.964 42.059 0.028 0.000 1.395 119 L HN 0.133 nan 8.230 nan 0.000 0.424 120 K N 0.588 120.992 120.400 0.007 0.000 2.032 120 K HA -0.210 4.110 4.320 0.000 0.000 0.218 120 K C 1.285 177.885 176.600 0.001 0.000 1.054 120 K CA 1.643 57.930 56.287 -0.000 0.000 0.941 120 K CB -0.098 32.403 32.500 0.002 0.000 0.720 120 K HN 0.550 nan 8.250 nan 0.000 0.449 121 N N 1.313 120.023 118.700 0.017 0.000 2.666 121 N HA -0.092 4.648 4.740 0.000 0.000 0.194 121 N C 0.158 175.683 175.510 0.025 0.000 1.220 121 N CA 0.270 53.334 53.050 0.023 0.000 0.928 121 N CB -0.278 38.236 38.487 0.046 0.000 0.997 121 N HN 0.063 nan 8.380 nan 0.000 0.447 122 L N 0.766 121.998 121.223 0.015 0.000 2.513 122 L HA 0.166 4.507 4.340 0.000 0.000 0.272 122 L C 1.282 178.117 176.870 -0.059 0.000 1.187 122 L CA 0.384 55.234 54.840 0.016 0.000 0.895 122 L CB 0.713 42.780 42.059 0.012 0.000 1.147 122 L HN 0.071 nan 8.230 nan 0.000 0.483 123 G N 4.631 113.381 108.800 -0.084 0.000 2.692 123 G HA2 0.061 4.021 3.960 0.000 0.000 0.201 123 G HA3 0.061 4.021 3.960 0.000 0.000 0.201 123 G C -0.282 174.250 174.900 -0.612 0.000 1.063 123 G CA -0.210 44.635 45.100 -0.424 0.000 0.790 123 G HN 0.501 nan 8.290 nan 0.000 0.599 124 W N 0.192 121.499 121.300 0.013 0.000 2.739 124 W HA 0.700 5.360 4.660 0.000 0.000 0.331 124 W C -1.470 174.990 176.519 -0.098 0.000 1.049 124 W CA -0.905 56.434 57.345 -0.009 0.000 1.234 124 W CB 2.161 31.585 29.460 -0.060 0.000 1.404 124 W HN -0.076 nan 8.180 nan 0.000 0.477 125 L N 4.765 126.097 121.223 0.181 0.000 2.568 125 L HA 0.508 4.849 4.340 0.000 0.000 0.262 125 L C -2.070 174.926 176.870 0.211 0.000 0.980 125 L CA -0.721 54.175 54.840 0.093 0.000 0.882 125 L CB 0.345 42.423 42.059 0.031 0.000 1.198 125 L HN 0.092 nan 8.230 nan 0.000 0.425 126 F N 5.545 125.353 119.950 -0.236 0.000 2.415 126 F HA 0.590 5.117 4.527 0.000 0.000 0.348 126 F C 0.512 176.298 175.800 -0.023 0.000 1.119 126 F CA -0.722 57.226 58.000 -0.087 0.000 1.069 126 F CB 1.688 40.661 39.000 -0.046 0.000 1.124 126 F HN 0.336 nan 8.300 nan 0.000 0.472 127 L N 3.138 124.411 121.223 0.083 0.000 3.313 127 L HA 0.227 4.567 4.340 0.000 0.000 0.320 127 L C -0.392 176.509 176.870 0.052 0.000 1.304 127 L CA -0.387 54.490 54.840 0.061 0.000 0.920 127 L CB 0.043 42.115 42.059 0.022 0.000 1.357 127 L HN 0.428 nan 8.230 nan 0.000 0.602 128 D N 1.295 121.740 120.400 0.075 0.000 2.352 128 D HA -0.007 4.633 4.640 0.000 0.000 0.238 128 D C 0.665 177.014 176.300 0.081 0.000 1.286 128 D CA 0.331 54.378 54.000 0.079 0.000 0.923 128 D CB 0.551 41.408 40.800 0.095 0.000 1.146 128 D HN 0.067 nan 8.370 nan 0.000 0.471 129 E N 0.261 120.520 120.200 0.098 0.000 2.160 129 E HA -0.269 4.081 4.350 0.000 0.000 0.180 129 E C -0.589 176.033 176.600 0.037 0.000 1.452 129 E CA 0.848 57.277 56.400 0.048 0.000 0.683 129 E CB -1.352 28.339 29.700 -0.014 0.000 1.072 129 E HN 0.446 nan 8.360 nan 0.000 0.332 130 N N -0.250 118.478 118.700 0.048 0.000 3.278 130 N HA 0.354 5.094 4.740 0.000 0.000 0.307 130 N C -0.482 175.046 175.510 0.029 0.000 1.551 130 N CA -0.813 52.254 53.050 0.028 0.000 0.794 130 N CB 1.312 39.812 38.487 0.022 0.000 1.770 130 N HN -0.080 nan 8.380 nan 0.000 0.612 131 K N 1.219 121.629 120.400 0.016 0.000 3.271 131 K HA 0.418 4.739 4.320 0.000 0.000 0.192 131 K C -1.162 175.442 176.600 0.007 0.000 1.108 131 K CA -0.049 56.247 56.287 0.015 0.000 0.902 131 K CB 0.294 32.801 32.500 0.012 0.000 0.889 131 K HN 0.363 nan 8.250 nan 0.000 0.520 132 I N 1.198 121.771 120.570 0.006 0.000 2.331 132 I HA 0.169 4.339 4.170 0.000 0.000 0.292 132 I C 0.933 177.049 176.117 -0.002 0.000 0.998 132 I CA -0.164 61.135 61.300 -0.002 0.000 1.267 132 I CB 1.171 39.168 38.000 -0.005 0.000 1.386 132 I HN 0.191 nan 8.210 nan 0.000 0.476 133 K N 2.296 122.694 120.400 -0.004 0.000 2.504 133 K HA 0.089 4.409 4.320 0.000 0.000 0.203 133 K C 0.034 176.630 176.600 -0.006 0.000 1.350 133 K CA -0.148 56.136 56.287 -0.005 0.000 0.953 133 K CB 0.577 33.076 32.500 -0.003 0.000 1.243 133 K HN 0.513 nan 8.250 nan 0.000 0.534 134 D N 2.083 122.479 120.400 -0.007 0.000 2.365 134 D HA 0.093 4.734 4.640 0.000 0.000 0.237 134 D C 0.620 176.915 176.300 -0.009 0.000 1.190 134 D CA -0.030 53.966 54.000 -0.008 0.000 0.867 134 D CB 0.848 41.642 40.800 -0.010 0.000 1.050 134 D HN 0.071 nan 8.370 nan 0.000 0.491 135 L N 2.768 123.988 121.223 -0.004 0.000 2.592 135 L HA -0.009 4.331 4.340 0.000 0.000 0.227 135 L C 2.257 179.127 176.870 -0.001 0.000 1.127 135 L CA -0.025 54.813 54.840 -0.002 0.000 0.884 135 L CB -0.249 41.812 42.059 0.003 0.000 1.065 135 L HN 0.309 nan 8.230 nan 0.000 0.457 136 S N -1.113 114.584 115.700 -0.005 0.000 2.559 136 S HA -0.127 4.343 4.470 0.000 0.000 0.250 136 S C 1.654 176.229 174.600 -0.042 0.000 0.977 136 S CA 1.214 59.402 58.200 -0.020 0.000 0.958 136 S CB -0.405 62.782 63.200 -0.022 0.000 0.751 136 S HN 0.419 nan 8.310 nan 0.000 0.534 137 S N 0.981 116.662 115.700 -0.032 0.000 2.524 137 S HA 0.344 4.814 4.470 0.000 0.000 0.216 137 S C 1.311 175.888 174.600 -0.038 0.000 0.987 137 S CA 0.033 58.210 58.200 -0.038 0.000 0.909 137 S CB -0.183 62.998 63.200 -0.031 0.000 0.781 137 S HN 0.528 nan 8.310 nan 0.000 0.521 138 L N 1.629 122.834 121.223 -0.029 0.000 2.529 138 L HA 0.164 4.505 4.340 0.000 0.000 0.223 138 L C 2.168 179.022 176.870 -0.028 0.000 1.113 138 L CA 0.288 55.113 54.840 -0.024 0.000 0.861 138 L CB -0.417 41.635 42.059 -0.012 0.000 1.012 138 L HN 0.295 nan 8.230 nan 0.000 0.461 139 K N -0.380 119.984 120.400 -0.059 0.000 2.281 139 K HA -0.170 4.150 4.320 0.000 0.000 0.203 139 K C 0.619 177.163 176.600 -0.093 0.000 1.046 139 K CA 1.523 57.743 56.287 -0.113 0.000 0.938 139 K CB -0.089 32.172 32.500 -0.399 0.000 0.737 139 K HN 0.210 nan 8.250 nan 0.000 0.458 140 D N 0.879 121.234 120.400 -0.075 0.000 2.525 140 D HA 0.139 4.779 4.640 0.000 0.000 0.229 140 D C -0.375 175.902 176.300 -0.038 0.000 1.202 140 D CA 0.001 53.968 54.000 -0.057 0.000 0.828 140 D CB 0.436 41.200 40.800 -0.059 0.000 1.008 140 D HN 0.223 nan 8.370 nan 0.000 0.493 141 L N 1.387 122.589 121.223 -0.034 0.000 2.828 141 L HA 0.211 4.551 4.340 0.000 0.000 0.233 141 L C 1.311 178.156 176.870 -0.041 0.000 1.250 141 L CA -0.359 54.460 54.840 -0.035 0.000 1.125 141 L CB 0.507 42.544 42.059 -0.036 0.000 1.432 141 L HN -0.394 nan 8.230 nan 0.000 0.444 142 K N 0.674 121.053 120.400 -0.035 0.000 2.574 142 K HA -0.053 4.267 4.320 0.000 0.000 0.193 142 K C 0.966 177.533 176.600 -0.054 0.000 1.035 142 K CA 0.725 56.990 56.287 -0.036 0.000 0.982 142 K CB 0.060 32.545 32.500 -0.025 0.000 0.795 142 K HN 0.453 nan 8.250 nan 0.000 0.491 143 K N 0.314 120.672 120.400 -0.069 0.000 2.373 143 K HA 0.115 4.435 4.320 0.000 0.000 0.202 143 K C -0.015 176.486 176.600 -0.165 0.000 1.025 143 K CA -0.403 55.825 56.287 -0.099 0.000 1.115 143 K CB 0.345 32.799 32.500 -0.078 0.000 0.858 143 K HN -0.100 nan 8.250 nan 0.000 0.525 144 L N 2.160 123.296 121.223 -0.145 0.000 2.500 144 L HA -0.007 4.333 4.340 0.000 0.000 0.272 144 L C 0.697 177.431 176.870 -0.227 0.000 1.149 144 L CA 0.850 55.578 54.840 -0.187 0.000 0.897 144 L CB 0.425 42.415 42.059 -0.115 0.000 1.178 144 L HN 0.006 nan 8.230 nan 0.000 0.473 145 K N 1.795 121.972 120.400 -0.372 0.000 2.214 145 K HA 0.175 4.496 4.320 0.000 0.000 0.201 145 K C 0.243 176.722 176.600 -0.202 0.000 1.049 145 K CA 0.288 56.380 56.287 -0.325 0.000 0.978 145 K CB 0.394 32.597 32.500 -0.495 0.000 0.842 145 K HN 0.549 nan 8.250 nan 0.000 0.474 146 S N 0.968 116.546 115.700 -0.204 0.000 2.561 146 S HA 0.494 4.964 4.470 0.000 0.000 0.303 146 S C -1.734 172.901 174.600 0.059 0.000 1.110 146 S CA -0.819 57.411 58.200 0.050 0.000 1.034 146 S CB 0.821 64.260 63.200 0.399 0.000 1.010 146 S HN 0.113 nan 8.310 nan 0.000 0.482 147 L N 4.277 125.488 121.223 -0.021 0.000 2.362 147 L HA 0.803 5.143 4.340 0.000 0.000 0.275 147 L C -0.664 176.133 176.870 -0.122 0.000 0.998 147 L CA 0.102 54.900 54.840 -0.071 0.000 0.820 147 L CB 2.037 44.051 42.059 -0.075 0.000 1.270 147 L HN 0.609 nan 8.230 nan 0.000 0.415 148 S N 4.693 120.240 115.700 -0.256 0.000 2.594 148 S HA 0.695 5.165 4.470 0.000 0.000 0.296 148 S C -0.313 174.201 174.600 -0.143 0.000 1.124 148 S CA -0.425 57.609 58.200 -0.275 0.000 1.011 148 S CB 0.760 63.392 63.200 -0.948 0.000 1.016 148 S HN 0.719 nan 8.310 nan 0.000 0.485 149 L N 3.337 124.526 121.223 -0.057 0.000 3.439 149 L HA 0.325 4.665 4.340 0.000 0.000 0.313 149 L C 0.183 177.051 176.870 -0.004 0.000 1.292 149 L CA -0.165 54.660 54.840 -0.025 0.000 1.020 149 L CB 0.581 42.625 42.059 -0.024 0.000 1.424 149 L HN 0.598 nan 8.230 nan 0.000 0.612 150 E N 0.370 120.569 120.200 -0.002 0.000 2.467 150 E HA -0.036 4.314 4.350 0.000 0.000 0.264 150 E C -0.072 176.573 176.600 0.074 0.000 1.020 150 E CA 0.237 56.631 56.400 -0.009 0.000 0.945 150 E CB 0.142 29.838 29.700 -0.006 0.000 0.942 150 E HN 0.168 nan 8.360 nan 0.000 0.449 151 H N 1.473 120.543 119.070 -0.000 0.000 2.770 151 H HA -0.167 4.389 4.556 0.000 0.000 0.309 151 H C -0.111 175.218 175.328 0.001 0.000 1.206 151 H CA 0.462 56.511 56.048 0.002 0.000 1.147 151 H CB -1.341 28.424 29.762 0.005 0.000 1.422 151 H HN 0.597 nan 8.280 nan 0.000 0.420 152 N N 0.005 118.750 118.700 0.076 0.000 2.187 152 N HA 0.112 4.852 4.740 0.000 0.000 0.212 152 N C 1.245 176.774 175.510 0.032 0.000 1.152 152 N CA 0.632 53.711 53.050 0.049 0.000 0.872 152 N CB 0.901 39.403 38.487 0.025 0.000 1.025 152 N HN 0.598 nan 8.380 nan 0.000 0.514 153 G N 2.108 110.927 108.800 0.032 0.000 2.323 153 G HA2 -0.268 3.692 3.960 0.000 0.000 0.292 153 G HA3 -0.268 3.692 3.960 0.000 0.000 0.292 153 G C 0.029 174.931 174.900 0.003 0.000 1.040 153 G CA 0.180 45.292 45.100 0.019 0.000 0.942 153 G HN 0.298 nan 8.290 nan 0.000 0.506 154 I N 0.014 120.580 120.570 -0.007 0.000 2.612 154 I HA 0.476 4.646 4.170 0.000 0.000 0.295 154 I C 1.418 177.522 176.117 -0.022 0.000 1.011 154 I CA 0.250 61.541 61.300 -0.014 0.000 1.326 154 I CB 1.703 39.692 38.000 -0.018 0.000 1.427 154 I HN 0.316 nan 8.210 nan 0.000 0.537 155 S N 0.966 116.654 115.700 -0.021 0.000 2.784 155 S HA 0.094 4.564 4.470 0.000 0.000 0.266 155 S C 0.059 174.643 174.600 -0.027 0.000 1.079 155 S CA -0.374 57.810 58.200 -0.026 0.000 0.989 155 S CB 0.347 63.535 63.200 -0.021 0.000 0.926 155 S HN 0.657 nan 8.310 nan 0.000 0.497 156 D N 2.202 122.589 120.400 -0.022 0.000 2.329 156 D HA 0.409 5.049 4.640 0.000 0.000 0.232 156 D C 0.447 176.734 176.300 -0.022 0.000 1.088 156 D CA -0.536 53.451 54.000 -0.021 0.000 0.835 156 D CB 1.312 42.104 40.800 -0.014 0.000 1.078 156 D HN 0.578 nan 8.370 nan 0.000 0.495 157 I N 0.745 121.298 120.570 -0.028 0.000 3.947 157 I HA 0.253 4.423 4.170 0.000 0.000 0.327 157 I C 0.616 176.712 176.117 -0.034 0.000 1.519 157 I CA -0.601 60.681 61.300 -0.030 0.000 1.122 157 I CB 0.145 38.122 38.000 -0.039 0.000 1.146 157 I HN 0.021 nan 8.210 nan 0.000 0.442 158 N N 2.611 121.292 118.700 -0.031 0.000 2.513 158 N HA -0.105 4.636 4.740 0.000 0.000 0.187 158 N C 1.791 177.276 175.510 -0.041 0.000 1.056 158 N CA 1.518 54.542 53.050 -0.043 0.000 0.907 158 N CB -0.009 38.457 38.487 -0.034 0.000 0.954 158 N HN 0.686 nan 8.380 nan 0.000 0.445 159 G N 1.268 110.070 108.800 0.002 0.000 2.421 159 G HA2 -0.120 3.840 3.960 0.000 0.000 0.217 159 G HA3 -0.120 3.840 3.960 0.000 0.000 0.217 159 G C 1.585 176.523 174.900 0.064 0.000 1.143 159 G CA 0.037 45.180 45.100 0.073 0.000 0.784 159 G HN 0.238 nan 8.290 nan 0.000 0.541 160 L N 0.641 121.860 121.223 -0.006 0.000 2.349 160 L HA -0.059 4.281 4.340 0.000 0.000 0.220 160 L C 2.712 179.541 176.870 -0.068 0.000 1.130 160 L CA 0.106 54.931 54.840 -0.025 0.000 0.791 160 L CB -0.443 41.589 42.059 -0.045 0.000 0.918 160 L HN 0.151 nan 8.230 nan 0.000 0.444 161 V N -0.176 119.647 119.914 -0.153 0.000 2.794 161 V HA -0.282 3.838 4.120 0.000 0.000 0.260 161 V C 2.075 177.994 176.094 -0.292 0.000 1.103 161 V CA 1.655 63.806 62.300 -0.248 0.000 1.125 161 V CB -0.697 30.921 31.823 -0.343 0.000 0.702 161 V HN 0.540 nan 8.190 nan 0.000 0.494 162 H N -0.863 118.185 119.070 -0.036 0.000 2.526 162 H HA 0.252 4.809 4.556 0.000 0.000 0.274 162 H C 0.520 175.823 175.328 -0.041 0.000 0.999 162 H CA 0.078 56.105 56.048 -0.035 0.000 1.157 162 H CB 0.458 30.201 29.762 -0.032 0.000 1.407 162 H HN 0.299 nan 8.280 nan 0.000 0.568 163 L N 2.673 123.910 121.223 0.025 0.000 3.100 163 L HA 0.176 4.516 4.340 0.000 0.000 0.259 163 L C -1.406 175.443 176.870 -0.035 0.000 1.316 163 L CA -1.046 53.789 54.840 -0.008 0.000 0.992 163 L CB 0.453 42.499 42.059 -0.023 0.000 1.390 163 L HN 0.000 nan 8.230 nan 0.000 0.550 164 P HA -0.229 nan 4.420 nan 0.000 0.219 164 P C 1.083 178.357 177.300 -0.044 0.000 1.144 164 P CA 1.288 64.363 63.100 -0.042 0.000 0.806 164 P CB 0.255 31.934 31.700 -0.035 0.000 0.771 165 Q N -1.134 118.640 119.800 -0.045 0.000 2.360 165 Q HA 0.044 4.384 4.340 0.000 0.000 0.202 165 Q C 0.687 176.648 176.000 -0.066 0.000 0.915 165 Q CA -0.161 55.611 55.803 -0.052 0.000 0.943 165 Q CB -0.726 27.981 28.738 -0.052 0.000 1.064 165 Q HN 0.137 nan 8.270 nan 0.000 0.511 166 L N 2.146 123.327 121.223 -0.071 0.000 2.506 166 L HA -0.028 4.312 4.340 0.000 0.000 0.281 166 L C 1.119 177.944 176.870 -0.075 0.000 1.228 166 L CA 1.109 55.899 54.840 -0.084 0.000 0.850 166 L CB 0.451 42.457 42.059 -0.087 0.000 1.110 166 L HN 0.283 nan 8.230 nan 0.000 0.496 167 E N 0.118 120.274 120.200 -0.072 0.000 2.453 167 E HA 0.169 4.519 4.350 0.000 0.000 0.211 167 E C -0.355 176.215 176.600 -0.050 0.000 0.897 167 E CA 0.052 56.426 56.400 -0.043 0.000 1.063 167 E CB 0.718 30.412 29.700 -0.011 0.000 1.080 167 E HN 0.540 nan 8.360 nan 0.000 0.512 168 S N 0.943 116.594 115.700 -0.081 0.000 2.619 168 S HA 0.492 4.962 4.470 0.000 0.000 0.280 168 S C -1.637 172.763 174.600 -0.332 0.000 1.150 168 S CA -0.633 57.455 58.200 -0.187 0.000 0.978 168 S CB 1.890 65.083 63.200 -0.011 0.000 1.041 168 S HN 0.104 nan 8.310 nan 0.000 0.485 169 L N 3.846 124.742 121.223 -0.544 0.000 2.409 169 L HA 0.670 5.010 4.340 0.000 0.000 0.272 169 L C -2.196 174.289 176.870 -0.642 0.000 0.980 169 L CA -0.321 54.248 54.840 -0.452 0.000 0.826 169 L CB 1.087 43.006 42.059 -0.234 0.000 1.268 169 L HN 0.691 nan 8.230 nan 0.000 0.407 170 Y N 5.944 126.177 120.300 -0.112 0.000 2.326 170 Y HA 0.555 5.105 4.550 0.000 0.000 0.331 170 Y C 0.152 175.986 175.900 -0.110 0.000 0.962 170 Y CA -0.605 57.428 58.100 -0.112 0.000 1.167 170 Y CB 1.565 39.920 38.460 -0.174 0.000 1.148 170 Y HN 0.458 nan 8.280 nan 0.000 0.463 171 L N 2.971 124.214 121.223 0.033 0.000 3.358 171 L HA 0.376 4.717 4.340 0.000 0.000 0.301 171 L C 1.049 177.898 176.870 -0.036 0.000 1.276 171 L CA -0.372 54.460 54.840 -0.014 0.000 1.028 171 L CB 0.652 42.689 42.059 -0.036 0.000 1.421 171 L HN 0.816 nan 8.230 nan 0.000 0.604 172 G N -0.258 108.525 108.800 -0.027 0.000 2.432 172 G HA2 0.141 4.101 3.960 0.000 0.000 0.239 172 G HA3 0.141 4.101 3.960 0.000 0.000 0.239 172 G C 0.178 174.961 174.900 -0.194 0.000 1.291 172 G CA 0.137 45.189 45.100 -0.079 0.000 0.863 172 G HN 0.640 nan 8.290 nan 0.000 0.560 173 N N 0.864 119.441 118.700 -0.206 0.000 2.699 173 N HA -0.169 4.571 4.740 0.000 0.000 0.257 173 N C -0.185 175.186 175.510 -0.231 0.000 1.077 173 N CA 0.913 53.777 53.050 -0.310 0.000 0.702 173 N CB -0.854 37.156 38.487 -0.794 0.000 0.886 173 N HN 0.613 nan 8.380 nan 0.000 0.549 174 N N 0.162 118.791 118.700 -0.119 0.000 3.513 174 N HA 0.390 5.130 4.740 0.000 0.000 0.351 174 N C -0.395 175.085 175.510 -0.051 0.000 1.624 174 N CA -0.621 52.387 53.050 -0.069 0.000 0.712 174 N CB 0.809 39.261 38.487 -0.059 0.000 2.106 174 N HN 0.101 nan 8.380 nan 0.000 0.649 175 K N 1.001 121.376 120.400 -0.041 0.000 3.167 175 K HA 0.481 4.801 4.320 0.000 0.000 0.208 175 K C -0.504 176.064 176.600 -0.054 0.000 1.159 175 K CA -0.076 56.186 56.287 -0.041 0.000 1.018 175 K CB 0.228 32.715 32.500 -0.022 0.000 0.927 175 K HN 0.368 nan 8.250 nan 0.000 0.476 176 I N 1.204 121.734 120.570 -0.067 0.000 2.474 176 I HA 0.025 4.195 4.170 0.000 0.000 0.287 176 I C 1.469 177.528 176.117 -0.097 0.000 1.048 176 I CA 0.058 61.316 61.300 -0.071 0.000 1.383 176 I CB 1.333 39.294 38.000 -0.066 0.000 1.412 176 I HN 0.286 nan 8.210 nan 0.000 0.531 177 T N -0.732 113.771 114.554 -0.084 0.000 3.028 177 T HA 0.085 4.435 4.350 0.000 0.000 0.250 177 T C 0.192 174.848 174.700 -0.073 0.000 0.979 177 T CA -0.137 61.905 62.100 -0.097 0.000 1.004 177 T CB 0.171 68.991 68.868 -0.079 0.000 1.120 177 T HN 0.506 nan 8.240 nan 0.000 0.482 178 D N 1.814 122.180 120.400 -0.057 0.000 2.414 178 D HA 0.359 4.999 4.640 0.000 0.000 0.232 178 D C 0.382 176.652 176.300 -0.050 0.000 1.070 178 D CA -1.053 52.918 54.000 -0.048 0.000 0.839 178 D CB 0.872 41.648 40.800 -0.039 0.000 1.079 178 D HN 0.578 nan 8.370 nan 0.000 0.521 179 I N 1.014 121.553 120.570 -0.051 0.000 3.805 179 I HA 0.245 4.415 4.170 0.000 0.000 0.337 179 I C 0.760 176.845 176.117 -0.052 0.000 1.539 179 I CA -0.558 60.710 61.300 -0.053 0.000 1.176 179 I CB 0.289 38.255 38.000 -0.056 0.000 1.248 179 I HN 0.054 nan 8.210 nan 0.000 0.437 180 T N 0.582 115.106 114.554 -0.049 0.000 2.699 180 T HA -0.177 4.173 4.350 0.000 0.000 0.268 180 T C 1.839 176.506 174.700 -0.055 0.000 1.036 180 T CA 1.820 63.891 62.100 -0.048 0.000 1.147 180 T CB -0.109 68.732 68.868 -0.044 0.000 0.862 180 T HN 0.406 nan 8.240 nan 0.000 0.446 181 V N 1.237 121.114 119.914 -0.061 0.000 2.970 181 V HA 0.037 4.157 4.120 0.000 0.000 0.260 181 V C 2.077 178.127 176.094 -0.073 0.000 1.100 181 V CA 0.960 63.216 62.300 -0.073 0.000 1.122 181 V CB -0.543 31.230 31.823 -0.083 0.000 0.721 181 V HN 0.499 nan 8.190 nan 0.000 0.483 182 L N 0.503 121.687 121.223 -0.066 0.000 2.450 182 L HA -0.112 4.228 4.340 0.000 0.000 0.224 182 L C 2.535 179.367 176.870 -0.063 0.000 1.149 182 L CA 1.389 56.189 54.840 -0.067 0.000 0.816 182 L CB -0.647 41.373 42.059 -0.065 0.000 0.932 182 L HN 0.553 nan 8.230 nan 0.000 0.449 183 S N -0.608 115.056 115.700 -0.060 0.000 2.442 183 S HA -0.165 4.305 4.470 0.000 0.000 0.236 183 S C 1.994 176.562 174.600 -0.054 0.000 1.007 183 S CA 0.591 58.758 58.200 -0.054 0.000 0.965 183 S CB -0.190 62.980 63.200 -0.050 0.000 0.773 183 S HN 0.306 nan 8.310 nan 0.000 0.504 184 R N 0.723 121.187 120.500 -0.061 0.000 2.119 184 R HA 0.333 4.674 4.340 0.000 0.000 0.222 184 R C 0.251 176.517 176.300 -0.057 0.000 1.088 184 R CA 0.221 56.285 56.100 -0.060 0.000 0.984 184 R CB -1.150 29.106 30.300 -0.073 0.000 0.884 184 R HN 0.328 nan 8.270 nan 0.000 0.447 185 L N 2.165 123.351 121.223 -0.062 0.000 2.388 185 L HA 0.039 4.380 4.340 0.000 0.000 0.252 185 L C 0.907 177.744 176.870 -0.056 0.000 1.357 185 L CA 0.678 55.481 54.840 -0.061 0.000 1.214 185 L CB -0.688 41.330 42.059 -0.069 0.000 1.392 185 L HN 0.209 nan 8.230 nan 0.000 0.432 186 T N -3.893 110.632 114.554 -0.048 0.000 3.148 186 T HA 0.035 4.385 4.350 0.000 0.000 0.253 186 T C 1.417 176.094 174.700 -0.038 0.000 1.134 186 T CA 0.201 62.276 62.100 -0.042 0.000 1.051 186 T CB -0.037 68.809 68.868 -0.037 0.000 0.959 186 T HN 0.174 nan 8.240 nan 0.000 0.525 187 K N 0.696 121.071 120.400 -0.041 0.000 2.358 187 K HA 0.360 4.680 4.320 0.000 0.000 0.197 187 K C 0.409 176.986 176.600 -0.038 0.000 1.025 187 K CA -0.140 56.126 56.287 -0.035 0.000 1.104 187 K CB 0.195 32.673 32.500 -0.036 0.000 0.855 187 K HN 0.451 nan 8.250 nan 0.000 0.531 188 L N 2.294 123.488 121.223 -0.049 0.000 2.410 188 L HA -0.028 4.312 4.340 0.000 0.000 0.273 188 L C 0.835 177.679 176.870 -0.044 0.000 1.152 188 L CA 0.107 54.913 54.840 -0.057 0.000 0.855 188 L CB 0.507 42.520 42.059 -0.077 0.000 1.129 188 L HN 0.162 nan 8.230 nan 0.000 0.463 189 D N -1.232 119.149 120.400 -0.032 0.000 2.473 189 D HA 0.060 4.700 4.640 0.000 0.000 0.230 189 D C 0.134 176.424 176.300 -0.018 0.000 1.097 189 D CA 0.023 54.013 54.000 -0.016 0.000 0.861 189 D CB 0.545 41.351 40.800 0.011 0.000 1.114 189 D HN 0.310 nan 8.370 nan 0.000 0.500 190 T N 0.589 115.125 114.554 -0.030 0.000 2.848 190 T HA 0.604 4.954 4.350 0.000 0.000 0.285 190 T C -1.620 173.010 174.700 -0.116 0.000 0.995 190 T CA -0.636 61.449 62.100 -0.024 0.000 0.970 190 T CB 1.918 70.811 68.868 0.042 0.000 0.976 190 T HN 0.094 nan 8.240 nan 0.000 0.441 191 L N 2.562 123.745 121.223 -0.065 0.000 2.505 191 L HA 0.814 5.154 4.340 0.000 0.000 0.266 191 L C -1.163 175.757 176.870 0.083 0.000 0.954 191 L CA -0.188 54.600 54.840 -0.087 0.000 0.852 191 L CB 2.311 44.319 42.059 -0.085 0.000 1.282 191 L HN 0.572 nan 8.230 nan 0.000 0.403 192 S N 4.707 120.450 115.700 0.073 0.000 2.561 192 S HA 0.751 5.221 4.470 0.000 0.000 0.303 192 S C -0.289 174.362 174.600 0.085 0.000 1.110 192 S CA -0.395 57.941 58.200 0.228 0.000 1.034 192 S CB 0.907 64.275 63.200 0.280 0.000 1.010 192 S HN 0.746 nan 8.310 nan 0.000 0.482 193 L N 3.091 124.358 121.223 0.074 0.000 3.410 193 L HA 0.293 4.633 4.340 0.000 0.000 0.309 193 L C -0.246 176.620 176.870 -0.008 0.000 1.254 193 L CA -0.446 54.398 54.840 0.007 0.000 1.048 193 L CB 0.482 42.531 42.059 -0.017 0.000 1.442 193 L HN 0.562 nan 8.230 nan 0.000 0.615 194 E N -0.352 119.856 120.200 0.013 0.000 2.415 194 E HA 0.121 4.471 4.350 0.000 0.000 0.262 194 E C 0.008 176.585 176.600 -0.040 0.000 1.038 194 E CA -0.167 56.220 56.400 -0.021 0.000 0.921 194 E CB 0.112 29.800 29.700 -0.020 0.000 0.950 194 E HN 0.160 nan 8.360 nan 0.000 0.438 195 D N 1.065 121.445 120.400 -0.033 0.000 2.990 195 D HA -0.154 4.486 4.640 0.000 0.000 0.245 195 D C -1.260 175.012 176.300 -0.047 0.000 1.120 195 D CA 0.680 54.667 54.000 -0.022 0.000 0.838 195 D CB -0.947 39.841 40.800 -0.021 0.000 1.000 195 D HN 0.550 nan 8.370 nan 0.000 0.420 196 N N 0.254 118.924 118.700 -0.051 0.000 3.204 196 N HA 0.317 5.057 4.740 0.000 0.000 0.285 196 N C -0.424 175.001 175.510 -0.142 0.000 1.536 196 N CA -0.517 52.484 53.050 -0.082 0.000 0.832 196 N CB 0.848 39.284 38.487 -0.084 0.000 1.645 196 N HN 0.154 nan 8.380 nan 0.000 0.586 197 Q N 0.746 120.409 119.800 -0.228 0.000 2.268 197 Q HA 0.449 4.789 4.340 0.000 0.000 0.289 197 Q C -0.329 175.368 176.000 -0.505 0.000 0.893 197 Q CA -0.087 55.392 55.803 -0.541 0.000 1.057 197 Q CB 0.161 28.670 28.738 -0.382 0.000 1.173 197 Q HN 0.412 nan 8.270 nan 0.000 0.449 198 I N 0.263 120.661 120.570 -0.288 0.000 2.529 198 I HA -0.016 4.154 4.170 0.000 0.000 0.284 198 I C 1.151 177.205 176.117 -0.105 0.000 1.082 198 I CA 0.216 61.418 61.300 -0.163 0.000 1.406 198 I CB 1.313 39.257 38.000 -0.094 0.000 1.405 198 I HN 0.180 nan 8.210 nan 0.000 0.548 199 S N 3.129 118.796 115.700 -0.055 0.000 2.830 199 S HA 0.038 4.509 4.470 0.000 0.000 0.249 199 S C 0.385 174.987 174.600 0.002 0.000 1.084 199 S CA -0.128 58.081 58.200 0.016 0.000 0.852 199 S CB 0.323 63.547 63.200 0.039 0.000 0.802 199 S HN 0.712 nan 8.310 nan 0.000 0.481 200 D N 2.247 122.635 120.400 -0.019 0.000 2.317 200 D HA 0.287 4.927 4.640 0.000 0.000 0.234 200 D C 0.740 177.018 176.300 -0.037 0.000 1.112 200 D CA -0.405 53.580 54.000 -0.025 0.000 0.840 200 D CB 1.027 41.812 40.800 -0.025 0.000 1.078 200 D HN 0.606 nan 8.370 nan 0.000 0.486 201 I N 0.987 121.531 120.570 -0.043 0.000 4.025 201 I HA 0.101 4.271 4.170 0.000 0.000 0.336 201 I C 1.233 177.318 176.117 -0.055 0.000 1.390 201 I CA -0.394 60.875 61.300 -0.053 0.000 1.099 201 I CB 0.493 38.456 38.000 -0.062 0.000 1.049 201 I HN 0.041 nan 8.210 nan 0.000 0.394 202 V N 2.370 122.255 119.914 -0.048 0.000 2.380 202 V HA -0.147 3.973 4.120 0.000 0.000 0.251 202 V C -0.100 175.966 176.094 -0.047 0.000 1.063 202 V CA 2.160 64.432 62.300 -0.046 0.000 1.055 202 V CB -1.914 29.885 31.823 -0.039 0.000 0.657 202 V HN 0.396 nan 8.190 nan 0.000 0.455 203 P HA -0.124 nan 4.420 nan 0.000 0.224 203 P C 1.375 178.644 177.300 -0.052 0.000 1.142 203 P CA 1.354 64.425 63.100 -0.048 0.000 0.778 203 P CB -0.093 31.577 31.700 -0.050 0.000 0.764 204 L N -2.945 118.245 121.223 -0.055 0.000 2.616 204 L HA 0.245 4.585 4.340 0.000 0.000 0.229 204 L C 2.224 179.061 176.870 -0.056 0.000 1.110 204 L CA 0.310 55.115 54.840 -0.058 0.000 0.884 204 L CB -0.775 41.245 42.059 -0.065 0.000 1.115 204 L HN -0.123 nan 8.230 nan 0.000 0.481 205 A N 1.203 123.991 122.820 -0.053 0.000 2.009 205 A HA -0.215 4.105 4.320 0.000 0.000 0.222 205 A C 2.229 179.785 177.584 -0.045 0.000 1.175 205 A CA 2.194 54.201 52.037 -0.050 0.000 0.651 205 A CB -0.895 18.078 19.000 -0.045 0.000 0.815 205 A HN 0.460 nan 8.150 nan 0.000 0.459 206 G N -1.135 107.639 108.800 -0.044 0.000 2.838 206 G HA2 0.281 4.242 3.960 0.000 0.000 0.210 206 G HA3 0.281 4.242 3.960 0.000 0.000 0.210 206 G C 0.765 175.641 174.900 -0.041 0.000 1.153 206 G CA -0.048 45.028 45.100 -0.040 0.000 0.778 206 G HN 0.426 nan 8.290 nan 0.000 0.539 207 L N 2.737 123.932 121.223 -0.046 0.000 2.697 207 L HA 0.080 4.420 4.340 0.000 0.000 0.239 207 L C 1.643 178.486 176.870 -0.045 0.000 1.430 207 L CA -0.272 54.539 54.840 -0.047 0.000 1.193 207 L CB -0.864 41.163 42.059 -0.054 0.000 1.516 207 L HN 0.030 nan 8.230 nan 0.000 0.439 208 T N -1.689 112.842 114.554 -0.039 0.000 2.897 208 T HA -0.137 4.214 4.350 0.000 0.000 0.271 208 T C 1.882 176.563 174.700 -0.032 0.000 1.084 208 T CA 0.961 63.040 62.100 -0.035 0.000 1.123 208 T CB -0.032 68.819 68.868 -0.029 0.000 0.865 208 T HN 0.326 nan 8.240 nan 0.000 0.496 209 K N 0.734 121.116 120.400 -0.031 0.000 2.365 209 K HA 0.156 4.476 4.320 0.000 0.000 0.199 209 K C 0.819 177.402 176.600 -0.030 0.000 1.045 209 K CA 0.059 56.330 56.287 -0.026 0.000 0.962 209 K CB -0.510 31.976 32.500 -0.024 0.000 0.759 209 K HN 0.430 nan 8.250 nan 0.000 0.469 210 L N 1.493 122.691 121.223 -0.041 0.000 2.525 210 L HA -0.139 4.201 4.340 0.000 0.000 0.278 210 L C 1.545 178.386 176.870 -0.048 0.000 1.218 210 L CA 0.640 55.449 54.840 -0.051 0.000 0.878 210 L CB 0.346 42.365 42.059 -0.067 0.000 1.127 210 L HN 0.203 nan 8.230 nan 0.000 0.492 211 Q N 1.309 121.082 119.800 -0.046 0.000 2.404 211 Q HA 0.207 4.547 4.340 0.000 0.000 0.262 211 Q C -0.440 175.519 176.000 -0.068 0.000 0.846 211 Q CA 0.063 55.843 55.803 -0.038 0.000 0.978 211 Q CB 0.969 29.704 28.738 -0.006 0.000 1.156 211 Q HN 0.613 nan 8.270 nan 0.000 0.548 212 N N 1.206 119.853 118.700 -0.089 0.000 2.491 212 N HA 0.378 5.118 4.740 0.000 0.000 0.274 212 N C -1.767 173.548 175.510 -0.324 0.000 1.023 212 N CA -0.242 52.692 53.050 -0.193 0.000 0.902 212 N CB 2.514 40.999 38.487 -0.003 0.000 1.267 212 N HN -0.001 nan 8.380 nan 0.000 0.503 213 L N 2.878 123.782 121.223 -0.532 0.000 2.406 213 L HA 0.495 4.835 4.340 0.000 0.000 0.272 213 L C -1.848 174.679 176.870 -0.571 0.000 0.980 213 L CA -0.641 53.949 54.840 -0.417 0.000 0.831 213 L CB 0.953 42.881 42.059 -0.218 0.000 1.253 213 L HN 0.351 nan 8.230 nan 0.000 0.406 214 Y N 6.031 126.321 120.300 -0.018 0.000 2.334 214 Y HA 0.533 5.084 4.550 0.000 0.000 0.336 214 Y C 0.363 176.224 175.900 -0.065 0.000 0.960 214 Y CA -0.611 57.472 58.100 -0.028 0.000 1.164 214 Y CB 1.394 39.861 38.460 0.010 0.000 1.155 214 Y HN 0.479 nan 8.280 nan 0.000 0.478 215 L N 2.265 123.492 121.223 0.007 0.000 3.229 215 L HA 0.198 4.538 4.340 0.000 0.000 0.286 215 L C 0.547 177.359 176.870 -0.097 0.000 1.239 215 L CA -0.279 54.538 54.840 -0.037 0.000 1.035 215 L CB 0.330 42.362 42.059 -0.044 0.000 1.408 215 L HN 0.584 nan 8.230 nan 0.000 0.593 216 S N 0.038 115.601 115.700 -0.229 0.000 2.584 216 S HA 0.201 4.672 4.470 0.000 0.000 0.270 216 S C 0.487 174.956 174.600 -0.218 0.000 1.346 216 S CA -0.378 57.544 58.200 -0.464 0.000 1.018 216 S CB 0.515 62.912 63.200 -1.338 0.000 0.899 216 S HN 0.351 nan 8.310 nan 0.000 0.542 217 K N 0.996 121.313 120.400 -0.139 0.000 3.653 217 K HA -0.169 4.151 4.320 0.000 0.000 0.275 217 K C -0.484 176.139 176.600 0.038 0.000 0.962 217 K CA 0.554 56.847 56.287 0.010 0.000 0.773 217 K CB -1.797 30.734 32.500 0.051 0.000 1.463 217 K HN 0.651 nan 8.250 nan 0.000 0.450 218 N N -0.682 118.064 118.700 0.076 0.000 3.278 218 N HA 0.298 5.038 4.740 0.000 0.000 0.307 218 N C -0.220 175.470 175.510 0.300 0.000 1.551 218 N CA -0.748 52.368 53.050 0.111 0.000 0.794 218 N CB 0.916 39.416 38.487 0.020 0.000 1.770 218 N HN 0.300 nan 8.380 nan 0.000 0.612 219 H N -0.013 119.069 119.070 0.021 0.000 2.488 219 H HA 0.400 4.956 4.556 0.000 0.000 0.294 219 H C -0.048 175.315 175.328 0.058 0.000 1.088 219 H CA -0.188 55.880 56.048 0.032 0.000 1.086 219 H CB 0.569 30.340 29.762 0.016 0.000 1.569 219 H HN 0.237 nan 8.280 nan 0.000 0.548 220 I N 1.927 122.618 120.570 0.201 0.000 2.556 220 I HA -0.069 4.101 4.170 0.000 0.000 0.284 220 I C 0.743 177.018 176.117 0.263 0.000 1.114 220 I CA 0.518 61.923 61.300 0.175 0.000 1.418 220 I CB 1.022 39.108 38.000 0.143 0.000 1.394 220 I HN 0.268 nan 8.210 nan 0.000 0.552 221 S N 1.803 117.606 115.700 0.171 0.000 2.893 221 S HA 0.175 4.645 4.470 0.000 0.000 0.258 221 S C -0.265 174.382 174.600 0.078 0.000 1.034 221 S CA -0.579 57.719 58.200 0.163 0.000 1.167 221 S CB 0.242 63.463 63.200 0.036 0.000 1.137 221 S HN 0.704 nan 8.310 nan 0.000 0.650 222 D N 1.255 121.645 120.400 -0.017 0.000 2.686 222 D HA 0.367 5.007 4.640 0.000 0.000 0.249 222 D C -0.023 176.157 176.300 -0.200 0.000 1.260 222 D CA -0.435 53.506 54.000 -0.098 0.000 0.910 222 D CB 1.348 42.118 40.800 -0.050 0.000 1.323 222 D HN 0.161 nan 8.370 nan 0.000 0.561 223 L N 3.550 124.594 121.223 -0.299 0.000 2.769 223 L HA 0.284 4.624 4.340 0.000 0.000 0.240 223 L C 2.024 178.780 176.870 -0.190 0.000 1.163 223 L CA -0.268 54.382 54.840 -0.316 0.000 0.962 223 L CB 0.203 41.966 42.059 -0.494 0.000 1.258 223 L HN 0.123 nan 8.230 nan 0.000 0.513 224 R N 1.271 121.690 120.500 -0.135 0.000 2.091 224 R HA -0.146 4.194 4.340 0.000 0.000 0.238 224 R C 2.434 178.683 176.300 -0.085 0.000 1.136 224 R CA 1.594 57.638 56.100 -0.093 0.000 0.959 224 R CB -0.442 29.818 30.300 -0.067 0.000 0.856 224 R HN 0.369 nan 8.270 nan 0.000 0.437 225 A N 0.717 123.485 122.820 -0.086 0.000 2.131 225 A HA -0.104 4.216 4.320 0.000 0.000 0.220 225 A C 1.829 179.365 177.584 -0.080 0.000 1.158 225 A CA 1.139 53.132 52.037 -0.074 0.000 0.665 225 A CB -0.426 18.531 19.000 -0.070 0.000 0.795 225 A HN 0.232 nan 8.150 nan 0.000 0.460 226 L N -1.585 119.579 121.223 -0.097 0.000 2.585 226 L HA 0.118 4.459 4.340 0.000 0.000 0.226 226 L C 2.602 179.424 176.870 -0.080 0.000 1.113 226 L CA 0.420 55.203 54.840 -0.095 0.000 0.876 226 L CB -0.338 41.650 42.059 -0.119 0.000 1.072 226 L HN 0.354 nan 8.230 nan 0.000 0.468 227 A N 0.857 123.632 122.820 -0.074 0.000 2.093 227 A HA -0.166 4.154 4.320 0.000 0.000 0.222 227 A C 2.136 179.692 177.584 -0.048 0.000 1.162 227 A CA 1.899 53.901 52.037 -0.059 0.000 0.655 227 A CB -0.693 18.276 19.000 -0.052 0.000 0.805 227 A HN 0.462 nan 8.150 nan 0.000 0.461 228 G N -1.219 107.553 108.800 -0.047 0.000 3.126 228 G HA2 0.366 4.326 3.960 0.000 0.000 0.224 228 G HA3 0.366 4.326 3.960 0.000 0.000 0.224 228 G C 0.522 175.398 174.900 -0.040 0.000 1.142 228 G CA -0.308 44.768 45.100 -0.040 0.000 0.759 228 G HN 0.389 nan 8.290 nan 0.000 0.550 229 L N 2.057 123.251 121.223 -0.047 0.000 2.376 229 L HA 0.152 4.492 4.340 0.000 0.000 0.250 229 L C 1.926 178.771 176.870 -0.041 0.000 1.335 229 L CA -0.166 54.645 54.840 -0.047 0.000 1.214 229 L CB 0.008 42.031 42.059 -0.060 0.000 1.395 229 L HN 0.307 nan 8.230 nan 0.000 0.424 230 K N -0.038 120.342 120.400 -0.032 0.000 2.442 230 K HA -0.123 4.197 4.320 0.000 0.000 0.198 230 K C 0.680 177.266 176.600 -0.023 0.000 1.042 230 K CA 1.194 57.466 56.287 -0.026 0.000 0.958 230 K CB -0.027 32.461 32.500 -0.020 0.000 0.766 230 K HN 0.490 nan 8.250 nan 0.000 0.474 231 N N 0.669 119.354 118.700 -0.026 0.000 2.322 231 N HA 0.156 4.896 4.740 0.000 0.000 0.194 231 N C -0.571 174.924 175.510 -0.026 0.000 1.126 231 N CA -0.333 52.704 53.050 -0.021 0.000 0.845 231 N CB 0.227 38.703 38.487 -0.019 0.000 0.976 231 N HN 0.061 nan 8.380 nan 0.000 0.475 232 L N 0.828 122.030 121.223 -0.036 0.000 2.490 232 L HA -0.018 4.322 4.340 0.000 0.000 0.274 232 L C 0.635 177.485 176.870 -0.033 0.000 1.201 232 L CA 0.340 55.152 54.840 -0.047 0.000 0.869 232 L CB 0.598 42.619 42.059 -0.063 0.000 1.123 232 L HN 0.178 nan 8.230 nan 0.000 0.484 233 D N 1.185 121.565 120.400 -0.033 0.000 2.514 233 D HA 0.135 4.775 4.640 0.000 0.000 0.249 233 D C -0.123 176.167 176.300 -0.016 0.000 1.036 233 D CA 0.690 54.684 54.000 -0.011 0.000 0.911 233 D CB 0.938 41.742 40.800 0.007 0.000 1.145 233 D HN 0.167 nan 8.370 nan 0.000 0.495 234 V N 2.115 121.998 119.914 -0.053 0.000 2.448 234 V HA 0.483 4.603 4.120 0.000 0.000 0.295 234 V C -0.938 175.042 176.094 -0.190 0.000 1.025 234 V CA -0.771 61.480 62.300 -0.082 0.000 0.859 234 V CB 2.431 34.215 31.823 -0.065 0.000 0.988 234 V HN -0.011 nan 8.190 nan 0.000 0.431 235 L N 4.724 125.870 121.223 -0.128 0.000 2.505 235 L HA 0.663 5.004 4.340 0.000 0.000 0.266 235 L C -0.872 175.970 176.870 -0.046 0.000 0.954 235 L CA -0.038 54.716 54.840 -0.143 0.000 0.852 235 L CB 2.246 44.252 42.059 -0.088 0.000 1.282 235 L HN 0.721 nan 8.230 nan 0.000 0.403 236 E N 6.006 126.175 120.200 -0.052 0.000 2.224 236 E HA 0.507 4.857 4.350 0.000 0.000 0.265 236 E C -0.782 175.790 176.600 -0.047 0.000 0.878 236 E CA -0.392 56.036 56.400 0.046 0.000 0.759 236 E CB 2.294 32.096 29.700 0.171 0.000 1.164 236 E HN 0.664 nan 8.360 nan 0.000 0.414 237 L N 3.273 124.493 121.223 -0.004 0.000 3.483 237 L HA 0.233 4.573 4.340 0.000 0.000 0.327 237 L C -0.226 176.694 176.870 0.083 0.000 1.318 237 L CA -0.428 54.434 54.840 0.036 0.000 0.979 237 L CB 0.021 42.193 42.059 0.187 0.000 1.404 237 L HN 0.430 nan 8.230 nan 0.000 0.615 238 F N -1.776 118.279 119.950 0.175 0.000 2.399 238 F HA 0.530 5.057 4.527 0.000 0.000 0.313 238 F C 1.274 177.146 175.800 0.120 0.000 1.202 238 F CA -1.068 57.045 58.000 0.188 0.000 1.192 238 F CB 0.009 39.136 39.000 0.211 0.000 1.256 238 F HN 0.007 nan 8.300 nan 0.000 0.558 239 S N 1.077 117.009 115.700 0.386 0.000 3.436 239 S HA -0.182 4.288 4.470 0.000 0.000 0.393 239 S C -0.460 174.098 174.600 -0.070 0.000 0.914 239 S CA 0.203 58.453 58.200 0.085 0.000 1.317 239 S CB -1.471 61.965 63.200 0.394 0.000 0.920 239 S HN 0.664 nan 8.310 nan 0.000 0.564 240 Q N 1.327 120.998 119.800 -0.215 0.000 2.230 240 Q HA 0.453 4.793 4.340 0.000 0.000 0.248 240 Q C 0.359 176.310 176.000 -0.082 0.000 0.915 240 Q CA -0.107 55.676 55.803 -0.033 0.000 0.900 240 Q CB 0.923 29.749 28.738 0.145 0.000 1.229 240 Q HN 0.615 nan 8.270 nan 0.000 0.439 241 E N 1.113 121.291 120.200 -0.037 0.000 2.186 241 E HA 0.339 4.689 4.350 0.000 0.000 0.255 241 E C -1.138 175.332 176.600 -0.218 0.000 0.881 241 E CA -0.354 55.958 56.400 -0.147 0.000 0.752 241 E CB 0.998 30.583 29.700 -0.192 0.000 1.176 241 E HN 0.480 nan 8.360 nan 0.000 0.421 242 C N 3.863 123.084 119.300 -0.132 0.000 2.271 242 C HA 0.420 4.880 4.460 0.000 0.000 0.323 242 C C -0.320 174.596 174.990 -0.123 0.000 1.245 242 C CA -0.915 58.043 59.018 -0.100 0.000 1.548 242 C CB -0.347 27.389 27.740 -0.007 0.000 2.214 242 C HN 0.599 nan 8.230 nan 0.000 0.477 243 L N 5.064 126.211 121.223 -0.127 0.000 2.265 243 L HA 0.417 4.757 4.340 0.000 0.000 0.289 243 L C 0.030 176.879 176.870 -0.034 0.000 1.033 243 L CA 0.197 54.983 54.840 -0.091 0.000 0.814 243 L CB 0.026 42.023 42.059 -0.103 0.000 1.203 243 L HN 0.694 nan 8.230 nan 0.000 0.423 244 N N 3.801 122.489 118.700 -0.020 0.000 2.347 244 N HA 0.238 4.978 4.740 0.000 0.000 0.253 244 N C -0.718 174.797 175.510 0.008 0.000 1.274 244 N CA -0.604 52.453 53.050 0.011 0.000 0.941 244 N CB 0.827 39.334 38.487 0.033 0.000 1.200 244 N HN 0.517 nan 8.380 nan 0.000 0.514 245 K N 1.463 121.875 120.400 0.020 0.000 2.201 245 K HA 0.292 4.612 4.320 0.000 0.000 0.278 245 K C -2.363 174.248 176.600 0.018 0.000 1.027 245 K CA -1.497 54.801 56.287 0.018 0.000 0.909 245 K CB 0.941 33.454 32.500 0.022 0.000 1.062 245 K HN 0.306 nan 8.250 nan 0.000 0.465 246 P HA -0.124 nan 4.420 nan 0.000 0.264 246 P C -0.556 176.760 177.300 0.028 0.000 1.173 246 P CA 0.530 63.642 63.100 0.019 0.000 0.761 246 P CB 0.264 31.978 31.700 0.024 0.000 0.794 247 I N -1.720 118.870 120.570 0.032 0.000 2.969 247 I HA 0.467 4.637 4.170 0.000 0.000 0.307 247 I C -0.568 175.587 176.117 0.063 0.000 1.149 247 I CA -1.313 60.011 61.300 0.040 0.000 1.008 247 I CB 2.323 40.344 38.000 0.035 0.000 1.232 247 I HN 0.117 nan 8.210 nan 0.000 0.435 248 N N 2.372 121.114 118.700 0.069 0.000 2.479 248 N HA 0.041 4.781 4.740 0.000 0.000 0.257 248 N C -0.472 175.119 175.510 0.136 0.000 1.232 248 N CA -0.365 52.749 53.050 0.107 0.000 0.920 248 N CB 0.240 38.775 38.487 0.081 0.000 1.105 248 N HN 0.567 nan 8.380 nan 0.000 0.444 249 H N 2.263 121.411 119.070 0.130 0.000 2.652 249 H HA 0.176 4.732 4.556 0.000 0.000 0.349 249 H C -0.652 174.746 175.328 0.115 0.000 1.099 249 H CA 0.605 56.744 56.048 0.151 0.000 1.417 249 H CB 0.813 30.801 29.762 0.376 0.000 1.457 249 H HN 0.571 nan 8.280 nan 0.000 0.568 250 Q N 1.710 121.164 119.800 -0.578 0.000 2.882 250 Q HA 0.270 4.610 4.340 0.000 0.000 0.315 250 Q C 0.191 175.918 176.000 -0.454 0.000 1.004 250 Q CA -0.749 54.869 55.803 -0.308 0.000 0.777 250 Q CB 1.975 30.640 28.738 -0.122 0.000 1.506 250 Q HN 0.710 nan 8.270 nan 0.000 0.489 251 S N -0.450 115.162 115.700 -0.148 0.000 2.526 251 S HA 0.128 4.598 4.470 0.000 0.000 0.220 251 S C 0.579 175.069 174.600 -0.184 0.000 1.017 251 S CA -0.158 57.987 58.200 -0.091 0.000 0.930 251 S CB 0.188 63.392 63.200 0.006 0.000 0.856 251 S HN 0.438 nan 8.310 nan 0.000 0.497 252 N N 1.239 119.854 118.700 -0.141 0.000 2.205 252 N HA 0.213 4.954 4.740 0.000 0.000 0.201 252 N C -0.011 175.475 175.510 -0.041 0.000 1.128 252 N CA -0.131 52.840 53.050 -0.131 0.000 0.867 252 N CB 0.111 38.543 38.487 -0.092 0.000 0.996 252 N HN 0.210 nan 8.380 nan 0.000 0.503 253 L N 2.094 123.304 121.223 -0.022 0.000 4.422 253 L HA -0.228 4.112 4.340 0.000 0.000 0.545 253 L C -0.789 176.186 176.870 0.174 0.000 1.042 253 L CA 0.796 55.681 54.840 0.074 0.000 0.533 253 L CB 0.068 42.192 42.059 0.108 0.000 0.674 253 L HN -0.129 nan 8.230 nan 0.000 1.072 254 V N 5.599 125.601 119.914 0.147 0.000 2.577 254 V HA 0.612 4.732 4.120 0.000 0.000 0.303 254 V C -0.497 175.703 176.094 0.178 0.000 1.042 254 V CA -0.684 61.697 62.300 0.135 0.000 0.872 254 V CB 1.979 33.833 31.823 0.052 0.000 0.998 254 V HN 0.462 nan 8.190 nan 0.000 0.423 255 V N 6.285 126.336 119.914 0.228 0.000 2.525 255 V HA 0.420 4.541 4.120 0.000 0.000 0.299 255 V C -2.565 173.619 176.094 0.150 0.000 1.034 255 V CA -1.995 60.449 62.300 0.241 0.000 0.863 255 V CB 2.395 34.484 31.823 0.444 0.000 0.999 255 V HN 0.702 nan 8.190 nan 0.000 0.423 256 P HA 0.055 nan 4.420 nan 0.000 0.265 256 P C -0.356 176.993 177.300 0.081 0.000 1.193 256 P CA 0.161 63.307 63.100 0.077 0.000 0.765 256 P CB 0.337 32.076 31.700 0.066 0.000 0.823 257 N N 1.605 120.331 118.700 0.042 0.000 2.411 257 N HA 0.092 4.832 4.740 0.000 0.000 0.259 257 N C 0.509 176.047 175.510 0.048 0.000 1.103 257 N CA -0.161 52.879 53.050 -0.016 0.000 0.954 257 N CB 0.387 38.832 38.487 -0.069 0.000 1.085 257 N HN 0.358 nan 8.380 nan 0.000 0.485 258 T N -0.184 114.429 114.554 0.097 0.000 3.134 258 T HA 0.133 4.483 4.350 0.000 0.000 0.260 258 T C 0.247 174.967 174.700 0.034 0.000 1.027 258 T CA -0.316 61.826 62.100 0.070 0.000 0.913 258 T CB -0.043 68.876 68.868 0.086 0.000 1.046 258 T HN 0.106 nan 8.240 nan 0.000 0.553 259 V N 3.593 123.511 119.914 0.007 0.000 2.389 259 V HA 0.367 4.488 4.120 0.000 0.000 0.264 259 V C -0.028 176.051 176.094 -0.024 0.000 1.049 259 V CA -0.719 61.530 62.300 -0.085 0.000 0.932 259 V CB 0.295 31.929 31.823 -0.315 0.000 1.011 259 V HN 0.379 nan 8.190 nan 0.000 0.475 260 K N 3.706 124.102 120.400 -0.007 0.000 2.164 260 K HA 0.471 4.791 4.320 0.000 0.000 0.258 260 K C -0.325 176.252 176.600 -0.039 0.000 0.951 260 K CA -0.789 55.491 56.287 -0.012 0.000 0.844 260 K CB 1.707 34.190 32.500 -0.029 0.000 1.099 260 K HN 0.435 nan 8.250 nan 0.000 0.435 261 N N 0.455 119.143 118.700 -0.020 0.000 2.408 261 N HA 0.067 4.807 4.740 0.000 0.000 0.260 261 N C 0.911 176.365 175.510 -0.092 0.000 1.242 261 N CA 0.086 53.107 53.050 -0.049 0.000 0.959 261 N CB 1.132 39.626 38.487 0.012 0.000 1.201 261 N HN 0.400 nan 8.380 nan 0.000 0.511 262 T N 0.716 115.204 114.554 -0.110 0.000 2.685 262 T HA -0.199 4.151 4.350 0.000 0.000 0.268 262 T C 0.864 175.528 174.700 -0.061 0.000 1.034 262 T CA 1.681 63.721 62.100 -0.099 0.000 1.149 262 T CB -0.361 68.456 68.868 -0.084 0.000 0.860 262 T HN 0.491 nan 8.240 nan 0.000 0.449 263 D N -0.529 119.847 120.400 -0.039 0.000 2.106 263 D HA -0.030 4.610 4.640 0.000 0.000 0.191 263 D C 1.680 177.966 176.300 -0.022 0.000 0.997 263 D CA 1.998 55.984 54.000 -0.022 0.000 0.834 263 D CB -0.293 40.503 40.800 -0.007 0.000 0.956 263 D HN 0.572 nan 8.370 nan 0.000 0.448 264 G N -1.684 107.102 108.800 -0.023 0.000 2.367 264 G HA2 -0.185 3.775 3.960 0.000 0.000 0.181 264 G HA3 -0.185 3.775 3.960 0.000 0.000 0.181 264 G C 0.236 175.132 174.900 -0.006 0.000 1.000 264 G CA 0.312 45.400 45.100 -0.019 0.000 0.693 264 G HN 0.496 nan 8.290 nan 0.000 0.480 265 S N 1.110 116.812 115.700 0.003 0.000 2.572 265 S HA 0.636 5.106 4.470 0.000 0.000 0.279 265 S C 0.587 175.203 174.600 0.027 0.000 1.341 265 S CA -0.470 57.740 58.200 0.018 0.000 1.043 265 S CB 1.507 64.721 63.200 0.025 0.000 0.887 265 S HN 0.547 nan 8.310 nan 0.000 0.516 266 L N 2.057 123.304 121.223 0.040 0.000 2.416 266 L HA 0.241 4.582 4.340 0.000 0.000 0.272 266 L C -0.160 176.743 176.870 0.054 0.000 1.161 266 L CA -0.728 54.141 54.840 0.048 0.000 0.845 266 L CB 0.450 42.558 42.059 0.081 0.000 1.119 266 L HN 0.472 nan 8.230 nan 0.000 0.464 267 V N 2.382 122.318 119.914 0.036 0.000 2.461 267 V HA 0.092 4.212 4.120 0.000 0.000 0.275 267 V C 0.501 176.587 176.094 -0.014 0.000 1.047 267 V CA -0.401 61.933 62.300 0.057 0.000 0.955 267 V CB 1.200 33.074 31.823 0.085 0.000 0.988 267 V HN 0.772 nan 8.190 nan 0.000 0.471 268 T N 8.342 122.897 114.554 0.002 0.000 2.870 268 T HA 0.224 4.574 4.350 0.000 0.000 0.300 268 T C -2.322 172.282 174.700 -0.159 0.000 0.989 268 T CA -0.696 61.320 62.100 -0.140 0.000 1.139 268 T CB 0.761 69.642 68.868 0.023 0.000 0.920 268 T HN 0.474 nan 8.240 nan 0.000 0.537 269 P HA 0.144 nan 4.420 nan 0.000 0.267 269 P C 0.826 178.110 177.300 -0.026 0.000 1.209 269 P CA -0.165 62.843 63.100 -0.154 0.000 0.763 269 P CB 0.676 32.120 31.700 -0.427 0.000 0.816 270 E N 2.453 122.707 120.200 0.089 0.000 2.008 270 E HA -0.015 4.336 4.350 0.000 0.000 0.191 270 E C 0.622 177.255 176.600 0.054 0.000 0.986 270 E CA 1.323 57.765 56.400 0.071 0.000 0.807 270 E CB -0.034 29.716 29.700 0.084 0.000 0.766 270 E HN 0.446 nan 8.360 nan 0.000 0.450 271 I N 1.743 122.363 120.570 0.083 0.000 2.382 271 I HA 0.254 4.424 4.170 0.000 0.000 0.285 271 I C -0.333 175.870 176.117 0.143 0.000 1.007 271 I CA -0.273 61.076 61.300 0.082 0.000 1.142 271 I CB 1.428 39.462 38.000 0.058 0.000 1.289 271 I HN -0.106 nan 8.210 nan 0.000 0.453 272 I N 5.258 125.901 120.570 0.121 0.000 2.359 272 I HA 0.272 4.443 4.170 0.000 0.000 0.294 272 I C 0.897 177.149 176.117 0.227 0.000 0.987 272 I CA -0.292 61.119 61.300 0.185 0.000 1.225 272 I CB 1.693 39.698 38.000 0.008 0.000 1.366 272 I HN 0.653 nan 8.210 nan 0.000 0.466 273 S N 4.227 120.146 115.700 0.366 0.000 2.634 273 S HA 0.022 4.492 4.470 0.000 0.000 0.254 273 S C 0.403 175.242 174.600 0.397 0.000 1.299 273 S CA -0.357 58.031 58.200 0.314 0.000 0.974 273 S CB 0.356 63.706 63.200 0.250 0.000 1.001 273 S HN 0.757 nan 8.310 nan 0.000 0.584 274 D N 0.623 121.180 120.400 0.261 0.000 2.781 274 D HA -0.205 4.435 4.640 0.000 0.000 0.221 274 D C 0.237 176.706 176.300 0.282 0.000 1.224 274 D CA 1.649 55.798 54.000 0.248 0.000 0.625 274 D CB -1.847 39.084 40.800 0.218 0.000 0.987 274 D HN 0.848 nan 8.370 nan 0.000 0.402 275 D N -1.580 118.926 120.400 0.177 0.000 2.811 275 D HA -0.169 4.471 4.640 0.000 0.000 0.231 275 D C 0.688 177.038 176.300 0.083 0.000 1.157 275 D CA 1.397 55.464 54.000 0.112 0.000 0.716 275 D CB -0.815 40.041 40.800 0.093 0.000 1.077 275 D HN 0.612 nan 8.370 nan 0.000 0.428 276 G N -0.014 108.812 108.800 0.044 0.000 2.476 276 G HA2 0.456 4.416 3.960 0.000 0.000 0.269 276 G HA3 0.456 4.416 3.960 0.000 0.000 0.269 276 G C -0.049 174.686 174.900 -0.275 0.000 1.195 276 G CA -0.403 44.502 45.100 -0.324 0.000 0.843 276 G HN 0.183 nan 8.290 nan 0.000 0.545 277 D N -1.142 119.077 120.400 -0.302 0.000 2.621 277 D HA 0.430 5.070 4.640 0.000 0.000 0.255 277 D C -1.405 174.799 176.300 -0.160 0.000 1.122 277 D CA -0.153 53.748 54.000 -0.166 0.000 1.096 277 D CB 2.125 42.867 40.800 -0.097 0.000 1.282 277 D HN 0.256 nan 8.370 nan 0.000 0.619 278 Y N 0.752 120.917 120.300 -0.224 0.000 2.386 278 Y HA 0.318 4.868 4.550 0.000 0.000 0.334 278 Y C -0.996 174.812 175.900 -0.154 0.000 1.002 278 Y CA -0.482 57.482 58.100 -0.226 0.000 1.068 278 Y CB 1.313 39.647 38.460 -0.209 0.000 1.203 278 Y HN 0.204 nan 8.280 nan 0.000 0.443 279 E N 4.174 124.009 120.200 -0.608 0.000 2.256 279 E HA 0.317 4.667 4.350 0.000 0.000 0.267 279 E C -0.067 176.113 176.600 -0.699 0.000 0.892 279 E CA -0.867 55.209 56.400 -0.540 0.000 0.775 279 E CB 2.280 31.813 29.700 -0.277 0.000 1.207 279 E HN 0.609 nan 8.360 nan 0.000 0.420 280 K N 1.874 121.975 120.400 -0.498 0.000 2.632 280 K HA -0.248 4.072 4.320 0.000 0.000 0.186 280 K C -1.518 174.859 176.600 -0.371 0.000 0.727 280 K CA 2.756 58.833 56.287 -0.349 0.000 0.898 280 K CB -1.403 30.982 32.500 -0.192 0.000 0.632 280 K HN 0.499 nan 8.250 nan 0.000 0.840 281 P HA 0.222 nan 4.420 nan 0.000 0.300 281 P C -0.986 176.339 177.300 0.042 0.000 1.397 281 P CA -0.019 63.059 63.100 -0.036 0.000 1.127 281 P CB 0.514 32.209 31.700 -0.008 0.000 1.572 282 N N 0.120 118.769 118.700 -0.084 0.000 2.417 282 N HA 0.297 5.037 4.740 0.000 0.000 0.300 282 N C -0.677 174.840 175.510 0.013 0.000 1.102 282 N CA -0.546 52.493 53.050 -0.019 0.000 0.886 282 N CB 2.618 41.072 38.487 -0.056 0.000 1.203 282 N HN -0.234 nan 8.380 nan 0.000 0.496 283 V N 2.089 121.974 119.914 -0.049 0.000 2.394 283 V HA 0.328 4.448 4.120 0.000 0.000 0.282 283 V C 0.090 175.918 176.094 -0.445 0.000 1.031 283 V CA -0.479 61.643 62.300 -0.297 0.000 0.881 283 V CB 0.966 32.436 31.823 -0.588 0.000 0.982 283 V HN 0.499 nan 8.190 nan 0.000 0.451 284 K N 4.622 124.712 120.400 -0.517 0.000 2.316 284 K HA 0.592 4.912 4.320 0.000 0.000 0.251 284 K C -1.297 175.043 176.600 -0.434 0.000 0.934 284 K CA -0.586 55.508 56.287 -0.322 0.000 0.802 284 K CB 2.467 34.877 32.500 -0.150 0.000 1.171 284 K HN 0.540 nan 8.250 nan 0.000 0.426 285 W N 1.323 122.630 121.300 0.012 0.000 2.882 285 W HA 0.235 4.895 4.660 0.000 0.000 0.345 285 W C 0.925 177.456 176.519 0.021 0.000 1.125 285 W CA -0.516 56.848 57.345 0.033 0.000 1.167 285 W CB 1.400 30.874 29.460 0.023 0.000 1.431 285 W HN 0.747 nan 8.180 nan 0.000 0.543 286 H N 1.636 120.844 119.070 0.230 0.000 2.648 286 H HA 0.184 4.740 4.556 0.000 0.000 0.265 286 H C 1.271 176.671 175.328 0.120 0.000 0.961 286 H CA 0.394 56.521 56.048 0.131 0.000 1.185 286 H CB 0.568 30.384 29.762 0.090 0.000 1.449 286 H HN 0.282 nan 8.280 nan 0.000 0.523 287 L N 2.828 124.223 121.223 0.286 0.000 4.812 287 L HA -0.183 4.157 4.340 0.000 0.000 0.466 287 L C -1.633 175.399 176.870 0.271 0.000 1.205 287 L CA -0.347 54.626 54.840 0.221 0.000 0.681 287 L CB -0.538 41.583 42.059 0.103 0.000 1.179 287 L HN 0.184 nan 8.230 nan 0.000 0.647 288 P HA -0.101 nan 4.420 nan 0.000 0.217 288 P C 0.834 178.281 177.300 0.244 0.000 1.151 288 P CA 1.223 64.488 63.100 0.275 0.000 0.828 288 P CB 0.398 32.231 31.700 0.222 0.000 0.788 289 E N -1.660 118.668 120.200 0.214 0.000 4.138 289 E HA 0.373 4.723 4.350 0.000 0.000 0.369 289 E C -0.512 176.214 176.600 0.209 0.000 0.995 289 E CA -0.685 55.819 56.400 0.174 0.000 2.264 289 E CB 0.116 29.884 29.700 0.113 0.000 1.876 289 E HN -0.085 nan 8.360 nan 0.000 0.697 290 F N 0.799 120.693 119.950 -0.093 0.000 2.565 290 F HA 0.406 4.934 4.527 0.000 0.000 0.313 290 F C -1.124 174.610 175.800 -0.110 0.000 1.091 290 F CA -0.237 57.569 58.000 -0.323 0.000 0.915 290 F CB 1.957 40.667 39.000 -0.483 0.000 1.208 290 F HN 0.339 nan 8.300 nan 0.000 0.453 291 T N 1.927 115.725 114.554 -1.260 0.000 2.916 291 T HA 0.278 4.628 4.350 0.000 0.000 0.305 291 T C 0.308 174.397 174.700 -1.017 0.000 1.119 291 T CA -0.937 60.639 62.100 -0.873 0.000 1.008 291 T CB 1.582 70.226 68.868 -0.373 0.000 1.129 291 T HN 0.586 nan 8.240 nan 0.000 0.480 292 N N 1.689 120.070 118.700 -0.532 0.000 2.011 292 N HA -0.125 4.616 4.740 0.000 0.000 0.199 292 N C 0.707 176.075 175.510 -0.236 0.000 1.047 292 N CA 2.101 54.989 53.050 -0.270 0.000 0.863 292 N CB -0.091 38.321 38.487 -0.125 0.000 1.056 292 N HN 0.951 nan 8.380 nan 0.000 0.427 293 E N -1.483 118.579 120.200 -0.230 0.000 2.459 293 E HA 0.614 4.964 4.350 0.000 0.000 0.275 293 E C -1.151 175.279 176.600 -0.283 0.000 0.987 293 E CA -0.896 55.373 56.400 -0.219 0.000 0.828 293 E CB 2.099 31.709 29.700 -0.151 0.000 1.428 293 E HN -0.129 nan 8.360 nan 0.000 0.457 294 V N -0.197 119.514 119.914 -0.338 0.000 3.182 294 V HA 0.780 4.900 4.120 0.000 0.000 0.308 294 V C -1.602 174.340 176.094 -0.254 0.000 1.240 294 V CA 0.296 62.316 62.300 -0.467 0.000 1.063 294 V CB 2.286 33.431 31.823 -1.129 0.000 1.076 294 V HN 1.099 nan 8.190 nan 0.000 0.446 295 S N 1.396 117.091 115.700 -0.008 0.000 2.645 295 S HA 0.753 5.223 4.470 0.000 0.000 0.268 295 S C -1.342 173.521 174.600 0.437 0.000 1.110 295 S CA -0.536 57.753 58.200 0.148 0.000 0.823 295 S CB 1.392 64.566 63.200 -0.044 0.000 1.091 295 S HN 1.816 nan 8.310 nan 0.000 0.466 296 F N -0.924 119.166 119.950 0.235 0.000 2.643 296 F HA 0.905 5.433 4.527 0.000 0.000 0.314 296 F C -1.371 174.497 175.800 0.113 0.000 1.096 296 F CA -1.402 56.705 58.000 0.177 0.000 0.953 296 F CB 0.965 40.055 39.000 0.151 0.000 1.345 296 F HN 0.655 nan 8.300 nan 0.000 0.468 297 I N 2.222 122.926 120.570 0.224 0.000 2.569 297 I HA 0.508 4.679 4.170 0.000 0.000 0.296 297 I C -1.255 174.964 176.117 0.169 0.000 1.028 297 I CA -0.964 60.370 61.300 0.057 0.000 1.082 297 I CB 2.193 40.212 38.000 0.031 0.000 1.264 297 I HN 0.689 nan 8.210 nan 0.000 0.429 298 F N 5.157 125.157 119.950 0.084 0.000 2.532 298 F HA 0.670 5.198 4.527 0.000 0.000 0.321 298 F C -1.509 174.367 175.800 0.126 0.000 1.089 298 F CA -1.197 56.851 58.000 0.080 0.000 0.926 298 F CB 1.122 40.124 39.000 0.003 0.000 1.168 298 F HN 0.354 nan 8.300 nan 0.000 0.459 299 Y N 2.980 123.293 120.300 0.021 0.000 2.307 299 Y HA 0.493 5.043 4.550 0.000 0.000 0.323 299 Y C -1.499 174.478 175.900 0.129 0.000 1.100 299 Y CA -0.490 57.629 58.100 0.031 0.000 1.140 299 Y CB 1.464 39.919 38.460 -0.009 0.000 1.159 299 Y HN 0.879 nan 8.280 nan 0.000 0.436 300 Q N 9.050 128.800 119.800 -0.084 0.000 2.269 300 Q HA 0.492 4.832 4.340 0.000 0.000 0.263 300 Q C -3.104 172.886 176.000 -0.016 0.000 0.983 300 Q CA -2.257 53.586 55.803 0.066 0.000 0.777 300 Q CB 2.669 31.546 28.738 0.232 0.000 1.273 300 Q HN 0.374 nan 8.270 nan 0.000 0.440 301 P HA 0.124 nan 4.420 nan 0.000 0.276 301 P C -0.704 176.632 177.300 0.060 0.000 1.243 301 P CA -0.139 62.967 63.100 0.010 0.000 0.768 301 P CB 1.000 32.739 31.700 0.064 0.000 0.856 302 V N 0.419 120.370 119.914 0.061 0.000 2.864 302 V HA 0.873 4.993 4.120 0.000 0.000 0.314 302 V C -0.537 175.574 176.094 0.027 0.000 1.073 302 V CA -0.718 61.611 62.300 0.048 0.000 0.956 302 V CB 1.966 33.813 31.823 0.039 0.000 1.023 302 V HN 0.606 nan 8.190 nan 0.000 0.435 303 T N 3.771 118.332 114.554 0.012 0.000 2.928 303 T HA 0.711 5.062 4.350 0.000 0.000 0.296 303 T C -1.331 173.363 174.700 -0.011 0.000 1.000 303 T CA -0.255 61.848 62.100 0.005 0.000 0.989 303 T CB 0.990 69.866 68.868 0.013 0.000 1.005 303 T HN 1.651 nan 8.240 nan 0.000 0.442 304 I N 4.677 125.234 120.570 -0.021 0.000 2.512 304 I HA 0.766 4.937 4.170 0.000 0.000 0.287 304 I C 0.435 176.535 176.117 -0.028 0.000 1.069 304 I CA 1.046 62.327 61.300 -0.031 0.000 1.056 304 I CB 1.154 39.124 38.000 -0.051 0.000 1.229 304 I HN 1.092 nan 8.210 nan 0.000 0.429 305 G N 6.795 115.582 108.800 -0.023 0.000 2.527 305 G HA2 -0.255 3.705 3.960 0.000 0.000 0.262 305 G HA3 -0.255 3.705 3.960 0.000 0.000 0.262 305 G C 0.208 175.101 174.900 -0.011 0.000 1.153 305 G CA 0.282 45.371 45.100 -0.019 0.000 0.954 305 G HN 0.744 nan 8.290 nan 0.000 0.552 306 K N 1.235 121.629 120.400 -0.009 0.000 2.618 306 K HA 0.635 4.955 4.320 0.000 0.000 0.207 306 K C 0.188 176.788 176.600 0.000 0.000 1.058 306 K CA 0.490 56.777 56.287 -0.001 0.000 1.086 306 K CB 1.302 33.803 32.500 0.002 0.000 0.827 306 K HN 0.867 nan 8.250 nan 0.000 0.481 307 A N 1.294 124.111 122.820 -0.006 0.000 2.355 307 A HA 0.540 4.860 4.320 0.000 0.000 0.317 307 A C -0.670 176.917 177.584 0.004 0.000 1.094 307 A CA -0.811 51.223 52.037 -0.004 0.000 0.764 307 A CB 1.057 20.042 19.000 -0.025 0.000 1.230 307 A HN -0.048 nan 8.150 nan 0.000 0.448 308 K N 0.517 120.929 120.400 0.020 0.000 2.118 308 K HA 0.850 5.170 4.320 0.000 0.000 0.254 308 K C -0.321 176.306 176.600 0.045 0.000 0.961 308 K CA -0.225 56.082 56.287 0.033 0.000 0.876 308 K CB 2.028 34.554 32.500 0.044 0.000 1.077 308 K HN 1.063 nan 8.250 nan 0.000 0.440 309 A N 1.798 124.651 122.820 0.054 0.000 2.586 309 A HA 0.655 4.975 4.320 0.000 0.000 0.290 309 A C -1.476 176.156 177.584 0.080 0.000 1.086 309 A CA -0.824 51.262 52.037 0.081 0.000 0.665 309 A CB 1.238 20.276 19.000 0.064 0.000 1.279 309 A HN 0.556 nan 8.150 nan 0.000 0.423 310 R N 0.195 120.760 120.500 0.109 0.000 2.288 310 R HA 0.473 4.813 4.340 0.000 0.000 0.326 310 R C -1.355 175.020 176.300 0.126 0.000 0.959 310 R CA -0.200 55.904 56.100 0.006 0.000 0.834 310 R CB 0.981 31.253 30.300 -0.046 0.000 1.157 310 R HN 0.541 nan 8.270 nan 0.000 0.470 311 F N 5.046 124.969 119.950 -0.045 0.000 2.368 311 F HA 0.294 4.822 4.527 0.000 0.000 0.362 311 F C -0.510 175.390 175.800 0.166 0.000 1.137 311 F CA -0.813 57.251 58.000 0.106 0.000 1.161 311 F CB -0.093 38.988 39.000 0.136 0.000 1.265 311 F HN 0.593 nan 8.300 nan 0.000 0.530 312 H N 3.538 122.409 119.070 -0.332 0.000 2.961 312 H HA 0.844 5.400 4.556 0.000 0.000 0.371 312 H C -0.691 174.111 175.328 -0.877 0.000 1.190 312 H CA -0.248 55.345 56.048 -0.758 0.000 1.138 312 H CB 1.893 31.461 29.762 -0.322 0.000 1.816 312 H HN 0.811 nan 8.280 nan 0.000 0.551 313 G N 1.817 109.246 108.800 -2.283 0.000 2.320 313 G HA2 0.288 4.248 3.960 0.000 0.000 0.296 313 G HA3 0.288 4.248 3.960 0.000 0.000 0.296 313 G C -1.863 172.426 174.900 -1.019 0.000 1.306 313 G CA -1.120 43.128 45.100 -1.420 0.000 0.836 313 G HN 0.726 nan 8.290 nan 0.000 0.517 314 R N -0.796 119.442 120.500 -0.437 0.000 2.711 314 R HA 0.724 5.064 4.340 0.000 0.000 0.284 314 R C -1.411 174.755 176.300 -0.223 0.000 0.968 314 R CA -0.623 55.311 56.100 -0.278 0.000 0.924 314 R CB 2.164 32.343 30.300 -0.201 0.000 1.162 314 R HN 0.389 nan 8.270 nan 0.000 0.465 315 V N 3.131 122.783 119.914 -0.437 0.000 2.376 315 V HA 0.261 4.382 4.120 0.000 0.000 0.287 315 V C -0.325 175.522 176.094 -0.411 0.000 1.015 315 V CA -0.587 61.429 62.300 -0.474 0.000 0.834 315 V CB 1.725 33.050 31.823 -0.829 0.000 1.001 315 V HN 0.817 nan 8.190 nan 0.000 0.428 316 T N 4.309 118.733 114.554 -0.217 0.000 2.845 316 T HA 0.369 4.719 4.350 0.000 0.000 0.288 316 T C -0.183 174.455 174.700 -0.102 0.000 0.980 316 T CA -0.174 61.836 62.100 -0.151 0.000 1.071 316 T CB 1.255 70.049 68.868 -0.124 0.000 0.941 316 T HN 0.630 nan 8.240 nan 0.000 0.487 317 Q N 3.989 123.725 119.800 -0.106 0.000 2.523 317 Q HA 0.357 4.697 4.340 0.000 0.000 0.251 317 Q C -2.790 173.135 176.000 -0.124 0.000 1.033 317 Q CA -2.448 53.300 55.803 -0.092 0.000 0.746 317 Q CB 0.843 29.521 28.738 -0.099 0.000 1.189 317 Q HN 0.234 nan 8.270 nan 0.000 0.508 318 P HA 0.082 nan 4.420 nan 0.000 0.268 318 P C -0.786 176.489 177.300 -0.041 0.000 1.204 318 P CA 0.315 63.378 63.100 -0.061 0.000 0.768 318 P CB 0.697 32.379 31.700 -0.029 0.000 0.842 392 T N 2.781 117.322 114.554 -0.021 0.000 2.588 392 T HA -0.019 4.331 4.350 0.000 0.000 0.236 392 T C -0.149 174.584 174.700 0.056 0.000 1.027 392 T CA 1.081 63.190 62.100 0.015 0.000 1.167 392 T CB 0.098 68.983 68.868 0.028 0.000 1.014 392 T HN 0.026 nan 8.240 nan 0.000 0.476 393 T N 3.819 118.402 114.554 0.048 0.000 2.928 393 T HA 0.296 4.646 4.350 0.000 0.000 0.296 393 T C 0.275 174.995 174.700 0.034 0.000 1.000 393 T CA -0.728 61.418 62.100 0.076 0.000 0.989 393 T CB 1.908 70.828 68.868 0.087 0.000 1.005 393 T HN 0.430 nan 8.240 nan 0.000 0.442 394 E N 2.435 122.642 120.200 0.012 0.000 2.609 394 E HA 0.057 4.407 4.350 0.000 0.000 0.208 394 E C 0.249 176.837 176.600 -0.021 0.000 1.013 394 E CA -0.315 56.076 56.400 -0.015 0.000 1.093 394 E CB 0.214 29.888 29.700 -0.043 0.000 1.129 394 E HN 0.664 nan 8.360 nan 0.000 0.450 395 K N 0.241 120.643 120.400 0.004 0.000 2.146 395 K HA 0.087 4.407 4.320 0.000 0.000 0.220 395 K C -0.088 176.514 176.600 0.003 0.000 1.227 395 K CA 0.345 56.636 56.287 0.006 0.000 1.185 395 K CB -0.253 32.273 32.500 0.043 0.000 1.333 395 K HN -0.244 nan 8.250 nan 0.000 0.242 396 T N 0.484 115.033 114.554 -0.009 0.000 3.407 396 T HA 0.066 4.416 4.350 0.000 0.000 0.308 396 T C -0.704 173.991 174.700 -0.009 0.000 0.919 396 T CA -0.446 61.651 62.100 -0.005 0.000 0.960 396 T CB 0.748 69.614 68.868 -0.004 0.000 1.193 396 T HN 0.387 nan 8.240 nan 0.000 0.568 397 V N 1.855 121.759 119.914 -0.016 0.000 2.864 397 V HA 0.713 4.834 4.120 0.000 0.000 0.314 397 V C -1.656 174.430 176.094 -0.014 0.000 1.073 397 V CA -0.833 61.458 62.300 -0.016 0.000 0.956 397 V CB 2.114 33.923 31.823 -0.024 0.000 1.023 397 V HN 0.249 nan 8.190 nan 0.000 0.435 398 N N 5.654 124.350 118.700 -0.007 0.000 2.609 398 N HA 0.378 5.118 4.740 0.000 0.000 0.268 398 N C -1.215 174.295 175.510 -0.002 0.000 1.106 398 N CA -0.456 52.590 53.050 -0.007 0.000 0.823 398 N CB 1.517 39.998 38.487 -0.008 0.000 1.263 398 N HN 0.385 nan 8.380 nan 0.000 0.533 399 L N 0.770 121.998 121.223 0.009 0.000 2.454 399 L HA 0.543 4.883 4.340 0.000 0.000 0.256 399 L C 0.957 177.812 176.870 -0.026 0.000 1.136 399 L CA -0.048 54.800 54.840 0.014 0.000 0.804 399 L CB 0.472 42.568 42.059 0.062 0.000 1.181 399 L HN 0.295 nan 8.230 nan 0.000 0.469 400 T N 2.079 116.611 114.554 -0.036 0.000 3.226 400 T HA 0.452 4.803 4.350 0.000 0.000 0.378 400 T C 0.170 174.793 174.700 -0.128 0.000 1.380 400 T CA -0.536 61.501 62.100 -0.106 0.000 1.396 400 T CB 0.453 69.279 68.868 -0.070 0.000 1.044 400 T HN 0.410 nan 8.240 nan 0.000 0.586 401 R N 1.337 121.728 120.500 -0.181 0.000 2.856 401 R HA 0.699 5.039 4.340 0.000 0.000 0.258 401 R C -1.299 174.853 176.300 -0.246 0.000 1.066 401 R CA -1.007 55.036 56.100 -0.095 0.000 1.045 401 R CB 1.376 31.621 30.300 -0.091 0.000 1.178 401 R HN 0.353 nan 8.270 nan 0.000 0.499 402 Y N -0.478 119.782 120.300 -0.066 0.000 2.327 402 Y HA 0.192 4.742 4.550 0.000 0.000 0.325 402 Y C -0.028 175.842 175.900 -0.050 0.000 0.999 402 Y CA -0.988 57.084 58.100 -0.047 0.000 1.195 402 Y CB 1.441 39.878 38.460 -0.038 0.000 1.132 402 Y HN 0.258 nan 8.280 nan 0.000 0.455 403 V N 5.552 125.510 119.914 0.073 0.000 2.644 403 V HA -0.004 4.116 4.120 0.000 0.000 0.305 403 V C 0.342 176.475 176.094 0.064 0.000 1.053 403 V CA -0.554 61.759 62.300 0.023 0.000 1.186 403 V CB 0.045 31.864 31.823 -0.007 0.000 0.895 403 V HN 0.778 nan 8.190 nan 0.000 0.490 404 K N 6.219 126.645 120.400 0.044 0.000 2.437 404 K HA -0.108 4.213 4.320 0.000 0.000 0.277 404 K C 0.669 177.355 176.600 0.143 0.000 1.073 404 K CA 0.372 56.715 56.287 0.093 0.000 1.105 404 K CB 0.057 32.563 32.500 0.010 0.000 0.881 404 K HN 0.794 nan 8.250 nan 0.000 0.475 405 Y N 4.164 124.554 120.300 0.150 0.000 2.132 405 Y HA -0.280 4.270 4.550 0.000 0.000 0.280 405 Y C 1.028 176.994 175.900 0.110 0.000 1.193 405 Y CA 1.552 59.738 58.100 0.143 0.000 1.157 405 Y CB -0.009 38.575 38.460 0.206 0.000 0.966 405 Y HN 0.665 nan 8.280 nan 0.000 0.511 406 I N -1.523 119.219 120.570 0.286 0.000 3.327 406 I HA 0.078 4.249 4.170 0.000 0.000 0.280 406 I C 1.433 177.581 176.117 0.052 0.000 1.207 406 I CA -0.449 60.942 61.300 0.152 0.000 1.280 406 I CB 0.077 38.093 38.000 0.027 0.000 1.417 406 I HN 0.027 nan 8.210 nan 0.000 0.639 407 R N 1.851 122.371 120.500 0.033 0.000 3.591 407 R HA -0.181 4.159 4.340 0.000 0.000 0.268 407 R C 0.891 177.190 176.300 -0.002 0.000 1.102 407 R CA 0.735 56.840 56.100 0.008 0.000 0.732 407 R CB -2.215 28.078 30.300 -0.012 0.000 1.117 407 R HN 1.052 nan 8.270 nan 0.000 0.472 408 G N -0.595 108.196 108.800 -0.014 0.000 2.990 408 G HA2 -0.198 3.763 3.960 0.000 0.000 0.206 408 G HA3 -0.198 3.763 3.960 0.000 0.000 0.206 408 G C 0.832 175.721 174.900 -0.018 0.000 1.169 408 G CA 0.392 45.463 45.100 -0.048 0.000 0.819 408 G HN 0.502 nan 8.290 nan 0.000 0.517 409 N N 0.298 119.000 118.700 0.002 0.000 2.251 409 N HA 0.302 5.042 4.740 0.000 0.000 0.217 409 N C 0.966 176.491 175.510 0.024 0.000 1.124 409 N CA -0.068 52.990 53.050 0.014 0.000 0.843 409 N CB 0.084 38.583 38.487 0.019 0.000 1.024 409 N HN 0.136 nan 8.380 nan 0.000 0.501 410 A N 0.180 123.013 122.820 0.022 0.000 2.515 410 A HA 0.466 4.786 4.320 0.000 0.000 0.263 410 A C 0.912 178.536 177.584 0.067 0.000 1.096 410 A CA -0.044 52.017 52.037 0.041 0.000 0.769 410 A CB -0.436 18.574 19.000 0.018 0.000 1.040 410 A HN 0.341 nan 8.150 nan 0.000 0.505 411 G N 1.918 110.786 108.800 0.113 0.000 2.403 411 G HA2 0.477 4.438 3.960 0.000 0.000 0.259 411 G HA3 0.477 4.438 3.960 0.000 0.000 0.259 411 G C -0.159 174.836 174.900 0.159 0.000 1.244 411 G CA -0.503 44.644 45.100 0.078 0.000 0.849 411 G HN 0.726 nan 8.290 nan 0.000 0.532 412 I N 1.301 121.880 120.570 0.015 0.000 2.392 412 I HA 0.357 4.528 4.170 0.000 0.000 0.295 412 I C -0.700 175.419 176.117 0.003 0.000 0.985 412 I CA -0.637 60.752 61.300 0.149 0.000 1.221 412 I CB 1.534 39.595 38.000 0.102 0.000 1.366 412 I HN 0.361 nan 8.210 nan 0.000 0.467 413 Y N 3.782 124.222 120.300 0.233 0.000 2.598 413 Y HA 0.330 4.880 4.550 0.000 0.000 0.340 413 Y C 0.953 176.937 175.900 0.140 0.000 1.038 413 Y CA -1.011 57.190 58.100 0.169 0.000 1.100 413 Y CB 1.277 39.842 38.460 0.176 0.000 1.281 413 Y HN 0.416 nan 8.280 nan 0.000 0.488 414 K N 0.171 120.677 120.400 0.175 0.000 2.031 414 K HA 0.062 4.382 4.320 0.000 0.000 0.205 414 K C -0.515 175.970 176.600 -0.192 0.000 1.049 414 K CA 1.203 57.503 56.287 0.022 0.000 0.939 414 K CB 0.047 32.535 32.500 -0.021 0.000 0.717 414 K HN 0.482 nan 8.250 nan 0.000 0.438 415 L N 1.216 122.298 121.223 -0.235 0.000 2.333 415 L HA 0.338 4.678 4.340 0.000 0.000 0.269 415 L C -2.363 174.177 176.870 -0.550 0.000 1.010 415 L CA -2.486 52.036 54.840 -0.529 0.000 0.818 415 L CB 1.410 43.227 42.059 -0.404 0.000 1.306 415 L HN 0.047 nan 8.230 nan 0.000 0.430 416 P HA 0.097 nan 4.420 nan 0.000 0.252 416 P C -0.706 175.685 177.300 -1.515 0.000 1.635 416 P CA 0.266 62.611 63.100 -1.258 0.000 1.206 416 P CB -0.089 31.078 31.700 -0.889 0.000 1.911 417 R N 1.091 120.847 120.500 -1.241 0.000 2.710 417 R HA 0.311 4.651 4.340 0.000 0.000 0.270 417 R C -0.462 175.585 176.300 -0.423 0.000 1.021 417 R CA -0.789 54.934 56.100 -0.627 0.000 0.889 417 R CB 1.863 31.964 30.300 -0.332 0.000 1.243 417 R HN 0.188 nan 8.270 nan 0.000 0.464 418 E N 2.576 122.694 120.200 -0.137 0.000 2.490 418 E HA 0.071 4.421 4.350 0.000 0.000 0.232 418 E C -1.286 175.280 176.600 -0.057 0.000 1.091 418 E CA -0.316 55.962 56.400 -0.205 0.000 1.050 418 E CB 0.193 29.904 29.700 0.020 0.000 1.342 418 E HN 0.442 nan 8.360 nan 0.000 0.454 419 D N 1.962 122.384 120.400 0.036 0.000 2.686 419 D HA 0.092 4.733 4.640 0.000 0.000 0.249 419 D C 0.130 176.676 176.300 0.410 0.000 1.260 419 D CA -0.700 53.414 54.000 0.190 0.000 0.910 419 D CB 1.121 41.976 40.800 0.092 0.000 1.323 419 D HN 0.078 nan 8.370 nan 0.000 0.561 420 N N 0.491 119.384 118.700 0.322 0.000 2.334 420 N HA -0.214 4.526 4.740 0.000 0.000 0.187 420 N C 1.719 177.290 175.510 0.101 0.000 1.016 420 N CA 1.597 54.771 53.050 0.205 0.000 0.879 420 N CB -0.074 38.485 38.487 0.120 0.000 0.965 420 N HN 0.569 nan 8.380 nan 0.000 0.438 421 S N -0.665 115.099 115.700 0.106 0.000 2.481 421 S HA -0.013 4.457 4.470 0.000 0.000 0.231 421 S C 1.147 175.781 174.600 0.057 0.000 0.996 421 S CA 0.335 58.570 58.200 0.059 0.000 0.942 421 S CB -0.037 63.191 63.200 0.046 0.000 0.768 421 S HN 0.256 nan 8.310 nan 0.000 0.520 422 L N 1.103 122.398 121.223 0.120 0.000 3.141 422 L HA 0.500 4.840 4.340 0.000 0.000 0.267 422 L C -0.026 176.903 176.870 0.098 0.000 1.281 422 L CA -0.113 54.801 54.840 0.123 0.000 1.037 422 L CB 0.152 42.302 42.059 0.152 0.000 1.407 422 L HN 0.076 nan 8.230 nan 0.000 0.566 423 K N 0.425 120.757 120.400 -0.113 0.000 2.263 423 K HA 0.186 4.506 4.320 0.000 0.000 0.282 423 K C 0.628 177.104 176.600 -0.206 0.000 1.089 423 K CA -0.176 55.840 56.287 -0.450 0.000 0.907 423 K CB 0.749 32.913 32.500 -0.560 0.000 1.148 423 K HN 0.378 nan 8.250 nan 0.000 0.470 424 Q N 2.013 121.736 119.800 -0.129 0.000 2.364 424 Q HA -0.032 4.308 4.340 0.000 0.000 0.207 424 Q C 0.708 176.681 176.000 -0.044 0.000 0.970 424 Q CA 0.958 56.736 55.803 -0.043 0.000 0.888 424 Q CB 0.305 29.054 28.738 0.018 0.000 0.951 424 Q HN 0.978 nan 8.270 nan 0.000 0.469 425 G N -0.816 107.931 108.800 -0.088 0.000 2.530 425 G HA2 0.017 3.978 3.960 0.000 0.000 0.081 425 G HA3 0.017 3.978 3.960 0.000 0.000 0.081 425 G C -1.086 173.782 174.900 -0.054 0.000 1.062 425 G CA -0.361 44.708 45.100 -0.051 0.000 1.108 425 G HN 0.021 nan 8.290 nan 0.000 0.466 426 T N 0.388 114.943 114.554 0.001 0.000 3.041 426 T HA 0.517 4.867 4.350 0.000 0.000 0.321 426 T C -1.558 173.181 174.700 0.064 0.000 1.184 426 T CA -0.336 61.774 62.100 0.017 0.000 1.050 426 T CB 2.047 70.921 68.868 0.009 0.000 1.159 426 T HN 0.970 nan 8.240 nan 0.000 0.469 427 L N 3.245 124.506 121.223 0.063 0.000 2.276 427 L HA 0.792 5.132 4.340 0.000 0.000 0.286 427 L C 0.502 177.419 176.870 0.078 0.000 1.061 427 L CA 0.602 55.501 54.840 0.099 0.000 0.807 427 L CB 0.435 42.516 42.059 0.036 0.000 1.177 427 L HN 0.929 nan 8.230 nan 0.000 0.429 428 A N 2.252 125.140 122.820 0.115 0.000 2.270 428 A HA 0.017 4.337 4.320 0.000 0.000 0.166 428 A C 1.344 178.907 177.584 -0.035 0.000 2.220 428 A CA 0.448 52.484 52.037 -0.001 0.000 1.443 428 A CB -0.563 18.422 19.000 -0.025 0.000 1.368 428 A HN 0.570 nan 8.150 nan 0.000 0.346 429 S N 0.512 116.180 115.700 -0.054 0.000 2.561 429 S HA 0.011 4.481 4.470 0.000 0.000 0.225 429 S C 0.872 175.232 174.600 -0.399 0.000 0.977 429 S CA 1.344 59.386 58.200 -0.263 0.000 0.926 429 S CB -0.492 62.471 63.200 -0.395 0.000 0.769 429 S HN 0.755 nan 8.310 nan 0.000 0.533 430 H N -0.026 119.024 119.070 -0.033 0.000 2.674 430 H HA 0.372 4.928 4.556 0.000 0.000 0.274 430 H C 1.501 176.812 175.328 -0.029 0.000 1.121 430 H CA -0.539 55.494 56.048 -0.026 0.000 1.132 430 H CB 0.034 29.780 29.762 -0.027 0.000 1.606 430 H HN 0.119 nan 8.280 nan 0.000 0.558 431 R N 0.155 120.673 120.500 0.031 0.000 2.178 431 R HA -0.135 4.205 4.340 0.000 0.000 0.257 431 R C 0.100 176.437 176.300 0.062 0.000 1.163 431 R CA 1.708 57.793 56.100 -0.024 0.000 0.981 431 R CB -0.273 29.887 30.300 -0.232 0.000 0.878 431 R HN 0.285 nan 8.270 nan 0.000 0.454 432 C N 0.826 120.178 119.300 0.087 0.000 2.667 432 C HA 0.280 4.741 4.460 0.000 0.000 0.261 432 C C -0.401 174.669 174.990 0.133 0.000 1.590 432 C CA -0.907 58.181 59.018 0.117 0.000 1.668 432 C CB -0.697 27.099 27.740 0.092 0.000 2.962 432 C HN 0.332 nan 8.230 nan 0.000 0.525 433 K N -0.075 120.403 120.400 0.130 0.000 2.443 433 K HA 0.852 5.173 4.320 0.000 0.000 0.251 433 K C -0.718 175.806 176.600 -0.127 0.000 0.972 433 K CA -0.521 55.803 56.287 0.060 0.000 0.833 433 K CB 1.544 34.059 32.500 0.026 0.000 1.317 433 K HN 0.038 nan 8.250 nan 0.000 0.441 434 A N 3.247 125.931 122.820 -0.227 0.000 2.395 434 A HA 0.389 4.709 4.320 0.000 0.000 0.286 434 A C -0.298 177.054 177.584 -0.386 0.000 1.193 434 A CA -0.534 51.135 52.037 -0.613 0.000 0.852 434 A CB -0.430 18.404 19.000 -0.277 0.000 1.118 434 A HN 0.625 nan 8.150 nan 0.000 0.524 435 L N 1.520 122.476 121.223 -0.446 0.000 2.299 435 L HA 0.698 5.039 4.340 0.000 0.000 0.268 435 L C 0.092 176.851 176.870 -0.185 0.000 1.012 435 L CA -0.767 53.932 54.840 -0.236 0.000 0.816 435 L CB 2.057 44.002 42.059 -0.190 0.000 1.355 435 L HN 0.538 nan 8.230 nan 0.000 0.457 436 T N 0.427 114.912 114.554 -0.114 0.000 2.965 436 T HA 0.431 4.781 4.350 0.000 0.000 0.306 436 T C -0.188 174.482 174.700 -0.050 0.000 0.991 436 T CA -0.337 61.719 62.100 -0.074 0.000 1.001 436 T CB 1.720 70.556 68.868 -0.053 0.000 0.984 436 T HN 0.172 nan 8.240 nan 0.000 0.446 437 V N 2.383 122.283 119.914 -0.024 0.000 3.610 437 V HA 0.594 4.714 4.120 0.000 0.000 0.285 437 V C 0.817 176.900 176.094 -0.018 0.000 1.012 437 V CA -0.159 62.140 62.300 -0.002 0.000 0.975 437 V CB 1.640 33.547 31.823 0.140 0.000 1.247 437 V HN 0.957 nan 8.190 nan 0.000 0.424 438 D N -1.271 119.096 120.400 -0.056 0.000 2.203 438 D HA 0.045 4.685 4.640 0.000 0.000 0.086 438 D C 0.453 176.696 176.300 -0.095 0.000 1.493 438 D CA -0.264 53.703 54.000 -0.054 0.000 1.159 438 D CB 0.232 41.022 40.800 -0.017 0.000 2.735 438 D HN 0.394 nan 8.370 nan 0.000 0.214 439 R N 2.000 122.454 120.500 -0.078 0.000 2.351 439 R HA 0.306 4.646 4.340 0.000 0.000 0.321 439 R C 0.147 176.293 176.300 -0.257 0.000 1.182 439 R CA 0.146 56.234 56.100 -0.019 0.000 1.011 439 R CB 0.636 31.094 30.300 0.262 0.000 1.048 439 R HN 0.344 nan 8.270 nan 0.000 0.490 440 E N 1.141 121.181 120.200 -0.266 0.000 2.855 440 E HA 0.550 4.900 4.350 0.000 0.000 0.259 440 E C -0.027 176.523 176.600 -0.083 0.000 1.390 440 E CA -0.505 55.640 56.400 -0.425 0.000 1.069 440 E CB 0.637 30.079 29.700 -0.430 0.000 1.172 440 E HN 0.616 nan 8.360 nan 0.000 0.668 441 A N -0.141 122.669 122.820 -0.016 0.000 2.410 441 A HA 0.611 4.931 4.320 0.000 0.000 0.300 441 A C -1.413 176.292 177.584 0.202 0.000 1.077 441 A CA -0.737 51.420 52.037 0.200 0.000 0.610 441 A CB 1.289 20.590 19.000 0.503 0.000 1.371 441 A HN 0.473 nan 8.150 nan 0.000 0.510 442 R N 0.223 120.854 120.500 0.218 0.000 3.124 442 R HA 0.183 4.523 4.340 0.000 0.000 0.212 442 R C -1.298 175.112 176.300 0.184 0.000 1.677 442 R CA -0.340 55.892 56.100 0.220 0.000 1.186 442 R CB 0.913 31.284 30.300 0.118 0.000 1.571 442 R HN 0.735 nan 8.270 nan 0.000 0.583 443 N N -0.491 118.366 118.700 0.263 0.000 2.456 443 N HA 0.342 5.082 4.740 0.000 0.000 0.288 443 N C 1.046 176.691 175.510 0.225 0.000 1.059 443 N CA 1.122 54.257 53.050 0.142 0.000 0.946 443 N CB 1.470 39.919 38.487 -0.062 0.000 1.150 443 N HN 0.532 nan 8.380 nan 0.000 0.479 444 G N 1.777 110.648 108.800 0.119 0.000 2.180 444 G HA2 -0.208 3.752 3.960 0.000 0.000 0.263 444 G HA3 -0.208 3.752 3.960 0.000 0.000 0.263 444 G C 0.933 175.894 174.900 0.102 0.000 0.989 444 G CA 0.862 46.025 45.100 0.105 0.000 0.692 444 G HN 1.623 nan 8.290 nan 0.000 0.526 445 G N -1.198 107.669 108.800 0.112 0.000 2.345 445 G HA2 -0.246 3.714 3.960 0.000 0.000 0.218 445 G HA3 -0.246 3.714 3.960 0.000 0.000 0.218 445 G C 0.449 175.411 174.900 0.102 0.000 1.058 445 G CA 0.768 45.920 45.100 0.087 0.000 0.632 445 G HN 1.019 nan 8.290 nan 0.000 0.508 446 K N 0.881 121.360 120.400 0.131 0.000 2.298 446 K HA 0.518 4.838 4.320 0.000 0.000 0.280 446 K C 0.008 176.703 176.600 0.159 0.000 1.032 446 K CA -0.603 55.728 56.287 0.074 0.000 0.958 446 K CB 1.847 34.325 32.500 -0.036 0.000 0.978 446 K HN 0.300 nan 8.250 nan 0.000 0.472 447 L N 3.384 124.651 121.223 0.073 0.000 2.349 447 L HA 0.318 4.658 4.340 0.000 0.000 0.275 447 L C -1.311 175.627 176.870 0.114 0.000 1.115 447 L CA 0.233 55.171 54.840 0.164 0.000 0.820 447 L CB 0.201 42.335 42.059 0.124 0.000 1.135 447 L HN 0.477 nan 8.230 nan 0.000 0.445 448 W N 3.599 124.947 121.300 0.080 0.000 2.894 448 W HA 0.626 5.286 4.660 0.000 0.000 0.345 448 W C -1.194 175.240 176.519 -0.141 0.000 1.152 448 W CA -0.220 57.185 57.345 0.100 0.000 1.089 448 W CB 0.918 30.518 29.460 0.235 0.000 1.454 448 W HN 0.260 nan 8.180 nan 0.000 0.589 449 Y N 0.146 120.302 120.300 -0.240 0.000 2.524 449 Y HA 0.467 5.018 4.550 0.000 0.000 0.347 449 Y C -0.173 175.130 175.900 -0.995 0.000 1.005 449 Y CA -1.794 55.980 58.100 -0.543 0.000 1.025 449 Y CB 2.144 40.433 38.460 -0.285 0.000 1.275 449 Y HN 0.168 nan 8.280 nan 0.000 0.460 450 R N 3.194 123.168 120.500 -0.876 0.000 2.288 450 R HA 0.544 4.884 4.340 0.000 0.000 0.326 450 R C -1.867 174.285 176.300 -0.246 0.000 0.959 450 R CA -0.749 54.877 56.100 -0.791 0.000 0.834 450 R CB 0.381 30.421 30.300 -0.433 0.000 1.157 450 R HN 0.618 nan 8.270 nan 0.000 0.470 451 L N 3.970 125.105 121.223 -0.148 0.000 2.305 451 L HA 0.292 4.632 4.340 0.000 0.000 0.281 451 L C 0.654 177.501 176.870 -0.039 0.000 1.085 451 L CA 0.021 54.809 54.840 -0.087 0.000 0.813 451 L CB 0.724 42.714 42.059 -0.116 0.000 1.157 451 L HN 0.416 nan 8.230 nan 0.000 0.436 452 K N 3.972 124.352 120.400 -0.033 0.000 2.405 452 K HA -0.096 4.224 4.320 0.000 0.000 0.276 452 K C 0.303 176.905 176.600 0.003 0.000 1.099 452 K CA 0.502 56.785 56.287 -0.007 0.000 1.120 452 K CB -0.121 32.371 32.500 -0.014 0.000 0.877 452 K HN 0.735 nan 8.250 nan 0.000 0.472 453 N N 1.306 120.022 118.700 0.028 0.000 2.967 453 N HA -0.231 4.509 4.740 0.000 0.000 0.218 453 N C -0.262 175.272 175.510 0.040 0.000 0.870 453 N CA 1.717 54.789 53.050 0.037 0.000 1.030 453 N CB -1.095 37.411 38.487 0.032 0.000 1.027 453 N HN 0.469 nan 8.380 nan 0.000 0.603 454 I N 0.753 121.334 120.570 0.017 0.000 2.707 454 I HA 0.467 4.638 4.170 0.000 0.000 0.309 454 I C 1.779 177.940 176.117 0.074 0.000 1.001 454 I CA -0.446 60.853 61.300 -0.001 0.000 1.129 454 I CB 1.349 39.264 38.000 -0.142 0.000 1.308 454 I HN 0.024 nan 8.210 nan 0.000 0.466 455 G N 1.989 110.855 108.800 0.110 0.000 2.335 455 G HA2 -0.016 3.944 3.960 0.000 0.000 0.285 455 G HA3 -0.016 3.944 3.960 0.000 0.000 0.285 455 G C -1.490 173.634 174.900 0.372 0.000 1.448 455 G CA 0.054 45.306 45.100 0.252 0.000 1.070 455 G HN 0.540 nan 8.290 nan 0.000 0.564 456 W N -0.930 120.461 121.300 0.151 0.000 2.656 456 W HA 0.618 5.278 4.660 0.000 0.000 0.327 456 W C 0.138 176.900 176.519 0.405 0.000 1.041 456 W CA -0.276 57.216 57.345 0.246 0.000 1.229 456 W CB 1.873 31.449 29.460 0.194 0.000 1.397 456 W HN 0.596 nan 8.180 nan 0.000 0.479 457 T N 0.982 115.837 114.554 0.502 0.000 2.645 457 T HA 0.519 4.869 4.350 0.000 0.000 0.273 457 T C -0.553 174.262 174.700 0.193 0.000 0.960 457 T CA -1.180 61.160 62.100 0.400 0.000 1.051 457 T CB 1.536 70.498 68.868 0.158 0.000 1.366 457 T HN 0.035 nan 8.240 nan 0.000 0.536 458 K N 0.087 120.356 120.400 -0.219 0.000 2.095 458 K HA 0.678 4.999 4.320 0.000 0.000 0.252 458 K C 1.130 177.586 176.600 -0.240 0.000 0.977 458 K CA -0.570 55.408 56.287 -0.515 0.000 0.900 458 K CB 1.102 33.208 32.500 -0.658 0.000 1.060 458 K HN 0.567 nan 8.250 nan 0.000 0.449 459 A N 1.529 124.243 122.820 -0.178 0.000 1.969 459 A HA -0.156 4.164 4.320 0.000 0.000 0.218 459 A C 1.777 179.231 177.584 -0.217 0.000 1.169 459 A CA 1.297 53.236 52.037 -0.163 0.000 0.635 459 A CB -0.275 18.771 19.000 0.076 0.000 0.810 459 A HN 0.757 nan 8.150 nan 0.000 0.445 460 E N 0.817 120.906 120.200 -0.184 0.000 2.038 460 E HA -0.189 4.162 4.350 0.000 0.000 0.195 460 E C 1.816 178.328 176.600 -0.147 0.000 1.000 460 E CA 1.286 57.595 56.400 -0.151 0.000 0.803 460 E CB -0.481 29.135 29.700 -0.140 0.000 0.750 460 E HN 0.616 nan 8.360 nan 0.000 0.448 461 N N 0.910 119.521 118.700 -0.149 0.000 2.021 461 N HA -0.185 4.555 4.740 0.000 0.000 0.198 461 N C 1.222 176.658 175.510 -0.122 0.000 1.041 461 N CA 0.557 53.538 53.050 -0.114 0.000 0.862 461 N CB -0.695 37.736 38.487 -0.093 0.000 1.048 461 N HN 0.122 nan 8.380 nan 0.000 0.427 462 L N 0.261 121.373 121.223 -0.184 0.000 2.452 462 L HA 0.220 4.561 4.340 0.000 0.000 0.267 462 L C 0.599 177.359 176.870 -0.182 0.000 1.188 462 L CA 0.325 55.047 54.840 -0.198 0.000 0.821 462 L CB 1.107 42.974 42.059 -0.321 0.000 1.102 462 L HN -0.008 nan 8.230 nan 0.000 0.470 463 S N 1.836 117.472 115.700 -0.107 0.000 2.874 463 S HA 0.461 4.931 4.470 0.000 0.000 0.318 463 S C 0.365 174.951 174.600 -0.022 0.000 1.109 463 S CA -0.341 57.817 58.200 -0.069 0.000 0.878 463 S CB 0.819 64.004 63.200 -0.026 0.000 1.307 463 S HN 0.694 nan 8.310 nan 0.000 0.592 464 L N 1.416 122.637 121.223 -0.002 0.000 2.062 464 L HA 0.469 4.809 4.340 0.000 0.000 0.202 464 L C 0.515 177.449 176.870 0.107 0.000 1.079 464 L CA 1.754 56.615 54.840 0.035 0.000 0.755 464 L CB -0.193 41.861 42.059 -0.009 0.000 0.913 464 L HN 0.689 nan 8.230 nan 0.000 0.445 465 D N -1.905 118.458 120.400 -0.062 0.000 2.636 465 D HA 0.229 4.869 4.640 0.000 0.000 0.275 465 D C -0.692 175.339 176.300 -0.448 0.000 1.130 465 D CA -0.687 53.056 54.000 -0.427 0.000 1.031 465 D CB 1.522 42.095 40.800 -0.379 0.000 1.451 465 D HN -0.042 nan 8.370 nan 0.000 0.505 466 R N 1.663 121.727 120.500 -0.726 0.000 2.540 466 R HA 0.009 4.349 4.340 0.000 0.000 0.317 466 R C -0.153 175.940 176.300 -0.344 0.000 1.233 466 R CA -0.146 55.685 56.100 -0.449 0.000 1.003 466 R CB -0.877 29.142 30.300 -0.469 0.000 1.034 466 R HN 0.283 nan 8.270 nan 0.000 0.483 467 Y N 2.165 122.317 120.300 -0.246 0.000 2.890 467 Y HA -0.181 4.369 4.550 0.000 0.000 0.341 467 Y C 0.070 175.791 175.900 -0.299 0.000 1.269 467 Y CA 0.271 58.230 58.100 -0.236 0.000 1.517 467 Y CB 0.462 38.809 38.460 -0.188 0.000 1.314 467 Y HN 0.536 nan 8.280 nan 0.000 0.622 468 D N 0.923 121.280 120.400 -0.073 0.000 2.204 468 D HA 0.004 4.645 4.640 0.000 0.000 0.337 468 D C -0.501 175.733 176.300 -0.110 0.000 1.054 468 D CA -0.228 53.603 54.000 -0.280 0.000 0.869 468 D CB 0.056 40.666 40.800 -0.317 0.000 1.548 468 D HN 0.559 nan 8.370 nan 0.000 0.530 469 K N 1.843 122.233 120.400 -0.016 0.000 2.404 469 K HA 0.012 4.332 4.320 0.000 0.000 0.271 469 K C 1.250 177.763 176.600 -0.146 0.000 1.130 469 K CA 0.488 56.719 56.287 -0.093 0.000 1.181 469 K CB 0.458 32.903 32.500 -0.091 0.000 0.840 469 K HN 0.172 nan 8.250 nan 0.000 0.483 470 M N 1.584 121.055 119.600 -0.215 0.000 2.510 470 M HA -0.055 4.426 4.480 0.000 0.000 0.256 470 M C 0.795 176.893 176.300 -0.337 0.000 1.132 470 M CA 0.699 55.816 55.300 -0.305 0.000 1.105 470 M CB -0.216 32.169 32.600 -0.359 0.000 1.375 470 M HN 0.793 nan 8.290 nan 0.000 0.477 471 E N 0.688 120.758 120.200 -0.216 0.000 3.673 471 E HA -0.277 4.073 4.350 0.000 0.000 0.309 471 E C -0.936 175.656 176.600 -0.013 0.000 0.819 471 E CA 1.461 57.772 56.400 -0.147 0.000 1.111 471 E CB -2.102 27.485 29.700 -0.188 0.000 1.561 471 E HN 0.700 nan 8.360 nan 0.000 0.450 472 Y N -2.534 117.746 120.300 -0.033 0.000 2.720 472 Y HA 0.365 4.915 4.550 0.000 0.000 0.382 472 Y C -2.367 173.549 175.900 0.026 0.000 1.278 472 Y CA -0.943 57.156 58.100 -0.000 0.000 1.688 472 Y CB -0.124 38.347 38.460 0.018 0.000 1.432 472 Y HN 0.019 nan 8.280 nan 0.000 0.569 473 D N 3.902 124.505 120.400 0.338 0.000 2.421 473 D HA 0.384 5.024 4.640 0.000 0.000 0.254 473 D C -0.408 176.053 176.300 0.270 0.000 1.238 473 D CA -0.416 53.774 54.000 0.317 0.000 0.919 473 D CB 1.386 42.307 40.800 0.203 0.000 1.152 473 D HN 0.784 nan 8.370 nan 0.000 0.552 474 K N 1.432 122.002 120.400 0.283 0.000 2.189 474 K HA 0.410 4.731 4.320 0.000 0.000 0.218 474 K C 0.749 177.424 176.600 0.125 0.000 1.031 474 K CA 0.236 56.606 56.287 0.139 0.000 0.962 474 K CB 0.192 32.727 32.500 0.058 0.000 1.005 474 K HN 0.460 nan 8.250 nan 0.000 0.459 475 G N 1.526 110.397 108.800 0.118 0.000 2.978 475 G HA2 -0.077 3.883 3.960 0.000 0.000 0.193 475 G HA3 -0.077 3.883 3.960 0.000 0.000 0.193 475 G C -0.110 174.791 174.900 0.001 0.000 1.038 475 G CA -0.329 44.800 45.100 0.049 0.000 1.103 475 G HN 0.075 nan 8.290 nan 0.000 0.574 476 V N 0.085 119.989 119.914 -0.016 0.000 4.872 476 V HA 0.782 4.902 4.120 0.000 0.000 0.269 476 V C 1.220 177.260 176.094 -0.090 0.000 1.201 476 V CA 0.522 62.793 62.300 -0.049 0.000 0.682 476 V CB 0.529 32.321 31.823 -0.051 0.000 1.200 476 V HN 0.641 nan 8.190 nan 0.000 0.366 477 T N 0.552 115.032 114.554 -0.123 0.000 3.011 477 T HA 0.778 5.128 4.350 0.000 0.000 0.303 477 T C -0.638 173.927 174.700 -0.225 0.000 0.997 477 T CA 0.243 62.279 62.100 -0.105 0.000 1.007 477 T CB 1.279 70.146 68.868 -0.000 0.000 1.017 477 T HN 1.173 nan 8.240 nan 0.000 0.443 478 A N 2.593 125.286 122.820 -0.211 0.000 2.522 478 A HA 0.739 5.059 4.320 0.000 0.000 0.291 478 A C -2.579 174.890 177.584 -0.191 0.000 1.039 478 A CA -0.860 50.989 52.037 -0.314 0.000 0.643 478 A CB 0.997 19.689 19.000 -0.514 0.000 1.310 478 A HN 0.655 nan 8.150 nan 0.000 0.436 479 Y N -0.455 119.661 120.300 -0.307 0.000 2.406 479 Y HA 0.691 5.242 4.550 0.000 0.000 0.340 479 Y C 0.423 175.689 175.900 -1.056 0.000 0.975 479 Y CA 0.534 58.337 58.100 -0.496 0.000 1.056 479 Y CB 2.308 40.586 38.460 -0.304 0.000 1.210 479 Y HN 1.275 nan 8.280 nan 0.000 0.448 480 A N 3.518 125.944 122.820 -0.656 0.000 2.483 480 A HA 0.969 5.289 4.320 0.000 0.000 0.286 480 A C -1.489 176.035 177.584 -0.101 0.000 1.207 480 A CA -0.995 50.729 52.037 -0.521 0.000 0.764 480 A CB 2.096 20.914 19.000 -0.304 0.000 1.341 480 A HN 0.725 nan 8.150 nan 0.000 0.428 481 R N -0.500 120.027 120.500 0.046 0.000 2.548 481 R HA 0.499 4.839 4.340 0.000 0.000 0.280 481 R C -1.682 174.630 176.300 0.020 0.000 1.061 481 R CA -0.517 55.658 56.100 0.125 0.000 0.915 481 R CB 1.960 32.431 30.300 0.285 0.000 1.210 481 R HN 0.580 nan 8.270 nan 0.000 0.442 482 V N 4.746 124.648 119.914 -0.022 0.000 2.539 482 V HA -0.060 4.060 4.120 0.000 0.000 0.294 482 V C 0.696 176.789 176.094 -0.002 0.000 0.994 482 V CA 0.941 63.222 62.300 -0.031 0.000 1.169 482 V CB -0.016 31.800 31.823 -0.012 0.000 0.898 482 V HN 0.591 nan 8.190 nan 0.000 0.471 483 R N 5.626 126.120 120.500 -0.011 0.000 2.666 483 R HA 0.282 4.622 4.340 0.000 0.000 0.275 483 R C 0.149 176.446 176.300 -0.006 0.000 1.266 483 R CA -0.384 55.716 56.100 0.000 0.000 1.401 483 R CB -0.318 29.983 30.300 0.000 0.000 1.145 483 R HN 0.880 nan 8.270 nan 0.000 0.581 484 N N 1.788 120.488 118.700 0.000 0.000 2.372 484 N HA -0.194 4.546 4.740 0.000 0.000 0.282 484 N C -0.301 175.209 175.510 -0.000 0.000 1.425 484 N CA 0.778 53.828 53.050 0.001 0.000 0.663 484 N CB -0.520 37.968 38.487 0.001 0.000 0.903 484 N HN 0.656 nan 8.380 nan 0.000 0.495 485 A N 2.290 125.115 122.820 0.007 0.000 2.132 485 A HA 0.142 4.462 4.320 0.000 0.000 0.213 485 A C 1.004 178.599 177.584 0.018 0.000 1.154 485 A CA 0.714 52.760 52.037 0.014 0.000 0.753 485 A CB -0.339 18.678 19.000 0.028 0.000 0.826 485 A HN 1.435 nan 8.150 nan 0.000 0.469 486 S N -0.063 115.646 115.700 0.015 0.000 3.159 486 S HA 0.311 4.781 4.470 0.000 0.000 0.375 486 S C 1.124 175.737 174.600 0.021 0.000 1.068 486 S CA 0.590 58.800 58.200 0.016 0.000 1.678 486 S CB -0.927 62.280 63.200 0.013 0.000 1.160 486 S HN 1.845 nan 8.310 nan 0.000 0.605 487 G N 2.905 111.721 108.800 0.028 0.000 2.284 487 G HA2 -0.189 3.771 3.960 0.000 0.000 0.201 487 G HA3 -0.189 3.771 3.960 0.000 0.000 0.201 487 G C -0.266 174.665 174.900 0.051 0.000 0.998 487 G CA -0.240 44.881 45.100 0.036 0.000 0.651 487 G HN 0.754 nan 8.290 nan 0.000 0.489 488 N N 0.021 118.751 118.700 0.051 0.000 2.471 488 N HA 0.806 5.547 4.740 0.000 0.000 0.288 488 N C -0.148 175.403 175.510 0.068 0.000 1.220 488 N CA -0.047 53.051 53.050 0.080 0.000 0.893 488 N CB 1.869 40.391 38.487 0.059 0.000 1.256 488 N HN 0.176 nan 8.380 nan 0.000 0.534 489 S N -0.706 115.046 115.700 0.088 0.000 2.900 489 S HA 0.702 5.172 4.470 0.000 0.000 0.320 489 S C -1.280 173.222 174.600 -0.164 0.000 1.130 489 S CA -0.654 57.469 58.200 -0.129 0.000 0.863 489 S CB 1.411 64.368 63.200 -0.405 0.000 1.295 489 S HN 0.199 nan 8.310 nan 0.000 0.596 490 V N 1.427 121.062 119.914 -0.464 0.000 2.588 490 V HA 0.615 4.735 4.120 0.000 0.000 0.304 490 V C -1.609 174.257 176.094 -0.380 0.000 1.042 490 V CA -0.511 61.672 62.300 -0.194 0.000 0.877 490 V CB 1.324 33.051 31.823 -0.159 0.000 0.996 490 V HN 0.890 nan 8.190 nan 0.000 0.425 491 W N 1.173 122.577 121.300 0.173 0.000 3.017 491 W HA 0.586 5.247 4.660 0.000 0.000 0.341 491 W C 1.310 177.946 176.519 0.195 0.000 1.180 491 W CA -0.743 56.703 57.345 0.168 0.000 1.097 491 W CB 0.397 30.004 29.460 0.245 0.000 1.468 491 W HN 0.412 nan 8.180 nan 0.000 0.584 492 T N 0.697 115.493 114.554 0.402 0.000 2.833 492 T HA -0.132 4.218 4.350 0.000 0.000 0.269 492 T C 0.079 174.991 174.700 0.353 0.000 1.054 492 T CA 1.400 63.671 62.100 0.285 0.000 1.135 492 T CB -0.348 68.623 68.868 0.172 0.000 0.869 492 T HN 0.393 nan 8.240 nan 0.000 0.466 493 K N 0.087 120.573 120.400 0.144 0.000 2.575 493 K HA 0.282 4.603 4.320 0.000 0.000 0.271 493 K C -3.386 172.847 176.600 -0.612 0.000 1.013 493 K CA -1.828 54.162 56.287 -0.494 0.000 0.939 493 K CB 1.205 33.489 32.500 -0.361 0.000 1.328 493 K HN -0.202 nan 8.250 nan 0.000 0.450 494 P HA -0.302 nan 4.420 nan 0.000 0.262 494 P C -0.690 176.053 177.300 -0.927 0.000 1.095 494 P CA 0.556 62.955 63.100 -1.168 0.000 0.747 494 P CB 0.085 30.771 31.700 -1.690 0.000 0.673 495 Y N 4.465 124.192 120.300 -0.955 0.000 2.903 495 Y HA -0.135 4.415 4.550 0.000 0.000 0.338 495 Y C 1.489 176.803 175.900 -0.975 0.000 1.265 495 Y CA 1.023 58.478 58.100 -1.075 0.000 1.532 495 Y CB -0.480 37.441 38.460 -0.898 0.000 1.293 495 Y HN 0.692 nan 8.280 nan 0.000 0.609 496 N N 2.965 120.697 118.700 -1.613 0.000 2.621 496 N HA -0.190 4.550 4.740 0.000 0.000 0.269 496 N C -1.573 173.299 175.510 -1.063 0.000 1.154 496 N CA 0.854 53.061 53.050 -1.405 0.000 0.696 496 N CB -0.679 36.822 38.487 -1.642 0.000 0.878 496 N HN 0.745 nan 8.380 nan 0.000 0.550 497 T N 0.266 114.365 114.554 -0.759 0.000 3.047 497 T HA 0.492 4.843 4.350 0.000 0.000 0.340 497 T C -0.461 174.001 174.700 -0.397 0.000 1.421 497 T CA 0.003 61.758 62.100 -0.576 0.000 1.090 497 T CB 1.426 69.942 68.868 -0.586 0.000 1.292 497 T HN 0.515 nan 8.240 nan 0.000 0.480 498 A N 1.042 123.672 122.820 -0.316 0.000 2.603 498 A HA 0.427 4.747 4.320 0.000 0.000 0.235 498 A C 1.740 179.220 177.584 -0.173 0.000 1.035 498 A CA 1.238 53.143 52.037 -0.220 0.000 0.755 498 A CB -0.988 17.904 19.000 -0.180 0.000 0.954 498 A HN 2.170 nan 8.150 nan 0.000 0.511 499 G N 1.395 110.123 108.800 -0.120 0.000 2.322 499 G HA2 0.015 3.976 3.960 0.000 0.000 0.264 499 G HA3 0.015 3.976 3.960 0.000 0.000 0.264 499 G C 0.861 175.739 174.900 -0.037 0.000 0.992 499 G CA 0.951 46.012 45.100 -0.065 0.000 0.624 499 G HN 2.472 nan 8.290 nan 0.000 0.543 500 A N 0.871 123.637 122.820 -0.090 0.000 2.517 500 A HA 0.445 4.765 4.320 0.000 0.000 0.284 500 A C 1.034 178.692 177.584 0.123 0.000 1.195 500 A CA 1.488 53.508 52.037 -0.029 0.000 0.873 500 A CB -0.095 18.781 19.000 -0.207 0.000 1.055 500 A HN 0.605 nan 8.150 nan 0.000 0.538 501 K N 0.498 121.027 120.400 0.216 0.000 2.836 501 K HA 0.434 4.754 4.320 0.000 0.000 0.300 501 K C -0.281 176.633 176.600 0.523 0.000 1.004 501 K CA -0.579 55.883 56.287 0.293 0.000 1.140 501 K CB 0.323 32.932 32.500 0.183 0.000 1.458 501 K HN 0.820 nan 8.250 nan 0.000 0.550 502 H N -0.521 118.693 119.070 0.240 0.000 2.690 502 H HA 0.509 5.065 4.556 0.000 0.000 0.368 502 H C -1.625 173.683 175.328 -0.034 0.000 1.150 502 H CA -0.728 55.363 56.048 0.071 0.000 1.174 502 H CB 1.327 31.078 29.762 -0.018 0.000 1.684 502 H HN 0.143 nan 8.280 nan 0.000 0.538 503 V N 3.123 122.476 119.914 -0.935 0.000 3.007 503 V HA 0.232 4.352 4.120 0.000 0.000 0.311 503 V C -0.192 175.408 176.094 -0.822 0.000 1.120 503 V CA -1.375 60.583 62.300 -0.571 0.000 0.980 503 V CB 1.980 33.637 31.823 -0.277 0.000 1.033 503 V HN 1.009 nan 8.190 nan 0.000 0.429 504 N N 1.395 119.923 118.700 -0.288 0.000 2.097 504 N HA -0.106 4.634 4.740 0.000 0.000 0.234 504 N C -0.062 175.395 175.510 -0.088 0.000 1.257 504 N CA 0.656 53.644 53.050 -0.103 0.000 0.861 504 N CB 0.020 38.522 38.487 0.026 0.000 1.063 504 N HN 0.631 nan 8.380 nan 0.000 0.461 505 K N 0.350 120.763 120.400 0.021 0.000 2.276 505 K HA 0.005 4.325 4.320 0.000 0.000 0.259 505 K C 1.045 177.708 176.600 0.105 0.000 1.001 505 K CA -0.621 55.689 56.287 0.037 0.000 0.927 505 K CB 0.358 32.883 32.500 0.042 0.000 0.969 505 K HN 0.330 nan 8.250 nan 0.000 0.490 506 L N 2.178 123.452 121.223 0.085 0.000 2.079 506 L HA -0.214 4.126 4.340 0.000 0.000 0.210 506 L C 2.318 179.292 176.870 0.173 0.000 1.081 506 L CA 2.220 57.138 54.840 0.131 0.000 0.752 506 L CB -1.229 40.864 42.059 0.056 0.000 0.896 506 L HN 0.856 nan 8.230 nan 0.000 0.433 507 S N -1.050 114.705 115.700 0.090 0.000 2.402 507 S HA -0.167 4.304 4.470 0.000 0.000 0.233 507 S C 1.854 176.467 174.600 0.022 0.000 1.030 507 S CA 1.335 59.565 58.200 0.050 0.000 1.003 507 S CB -1.191 62.021 63.200 0.020 0.000 0.813 507 S HN 0.271 nan 8.310 nan 0.000 0.477 508 V N 0.163 120.074 119.914 -0.005 0.000 3.284 508 V HA -0.095 4.025 4.120 0.000 0.000 0.273 508 V C 0.898 176.672 176.094 -0.534 0.000 1.178 508 V CA 1.333 63.483 62.300 -0.250 0.000 1.177 508 V CB -1.415 30.210 31.823 -0.329 0.000 0.793 508 V HN 0.669 nan 8.190 nan 0.000 0.536 509 Y N -1.816 118.488 120.300 0.005 0.000 2.675 509 Y HA 0.343 4.893 4.550 0.000 0.000 0.248 509 Y C 1.116 177.003 175.900 -0.021 0.000 1.161 509 Y CA -0.849 57.256 58.100 0.008 0.000 1.203 509 Y CB 0.087 38.564 38.460 0.028 0.000 1.262 509 Y HN 0.205 nan 8.280 nan 0.000 0.544 510 Q N 0.311 120.153 119.800 0.069 0.000 2.474 510 Q HA 0.318 4.658 4.340 0.000 0.000 0.256 510 Q C 1.462 177.481 176.000 0.030 0.000 1.048 510 Q CA 1.499 57.326 55.803 0.040 0.000 0.922 510 Q CB 0.652 29.402 28.738 0.020 0.000 1.288 510 Q HN 0.644 nan 8.270 nan 0.000 0.484 511 G N 2.335 111.153 108.800 0.030 0.000 2.779 511 G HA2 -0.350 3.610 3.960 0.000 0.000 0.230 511 G HA3 -0.350 3.610 3.960 0.000 0.000 0.230 511 G C -0.296 174.629 174.900 0.042 0.000 1.243 511 G CA 0.558 45.673 45.100 0.026 0.000 0.769 511 G HN 0.604 nan 8.290 nan 0.000 0.516 512 K N 1.431 121.864 120.400 0.055 0.000 2.414 512 K HA 0.268 4.588 4.320 0.000 0.000 0.272 512 K C -0.069 176.596 176.600 0.109 0.000 0.993 512 K CA -0.262 56.072 56.287 0.079 0.000 0.964 512 K CB 0.256 32.813 32.500 0.096 0.000 0.925 512 K HN 0.249 nan 8.250 nan 0.000 0.487 513 N N 3.265 122.053 118.700 0.146 0.000 2.430 513 N HA 0.110 4.851 4.740 0.000 0.000 0.265 513 N C -0.395 175.233 175.510 0.196 0.000 1.100 513 N CA 0.031 53.232 53.050 0.251 0.000 0.961 513 N CB 0.705 39.382 38.487 0.316 0.000 1.075 513 N HN 0.457 nan 8.380 nan 0.000 0.478 514 M N 0.759 120.391 119.600 0.053 0.000 2.205 514 M HA 0.433 4.913 4.480 0.000 0.000 0.344 514 M C 0.020 176.034 176.300 -0.477 0.000 1.085 514 M CA -0.733 54.477 55.300 -0.151 0.000 1.001 514 M CB 2.147 34.493 32.600 -0.423 0.000 1.626 514 M HN 0.117 nan 8.290 nan 0.000 0.442 515 R N 3.737 123.918 120.500 -0.531 0.000 2.242 515 R HA 0.331 4.672 4.340 0.000 0.000 0.334 515 R C -0.666 175.315 176.300 -0.533 0.000 1.071 515 R CA -0.542 54.978 56.100 -0.968 0.000 0.922 515 R CB 0.500 30.482 30.300 -0.531 0.000 1.023 515 R HN 0.740 nan 8.270 nan 0.000 0.458 516 I N 7.456 127.655 120.570 -0.618 0.000 2.581 516 I HA -0.082 4.088 4.170 0.000 0.000 0.285 516 I C 1.160 177.060 176.117 -0.362 0.000 1.129 516 I CA 0.461 61.467 61.300 -0.490 0.000 1.397 516 I CB 0.561 38.132 38.000 -0.716 0.000 1.399 516 I HN 0.783 nan 8.210 nan 0.000 0.537 517 L N 6.081 127.128 121.223 -0.293 0.000 2.470 517 L HA 0.213 4.554 4.340 0.000 0.000 0.219 517 L C 1.051 177.807 176.870 -0.191 0.000 1.071 517 L CA 0.322 55.031 54.840 -0.219 0.000 0.850 517 L CB 0.122 42.057 42.059 -0.207 0.000 1.040 517 L HN 0.567 nan 8.230 nan 0.000 0.475 518 R N -0.700 119.655 120.500 -0.242 0.000 2.831 518 R HA 0.484 4.824 4.340 0.000 0.000 0.266 518 R C -1.272 175.122 176.300 0.156 0.000 1.051 518 R CA -0.716 55.331 56.100 -0.088 0.000 0.943 518 R CB 2.298 32.507 30.300 -0.152 0.000 1.228 518 R HN -0.218 nan 8.270 nan 0.000 0.467 519 E N 0.082 120.535 120.200 0.423 0.000 2.359 519 E HA 0.810 5.160 4.350 0.000 0.000 0.266 519 E C -1.920 175.129 176.600 0.749 0.000 0.920 519 E CA -0.702 56.080 56.400 0.636 0.000 0.788 519 E CB 2.324 32.317 29.700 0.490 0.000 1.279 519 E HN 0.699 nan 8.360 nan 0.000 0.438 520 A N 2.404 125.586 122.820 0.604 0.000 2.586 520 A HA 0.666 4.987 4.320 0.000 0.000 0.291 520 A C -1.642 175.958 177.584 0.027 0.000 1.062 520 A CA -0.655 51.529 52.037 0.244 0.000 0.666 520 A CB 1.465 20.532 19.000 0.111 0.000 1.281 520 A HN 0.447 nan 8.150 nan 0.000 0.421 521 K N 1.494 121.674 120.400 -0.367 0.000 2.897 521 K HA 0.391 4.712 4.320 0.000 0.000 0.243 521 K C -0.259 176.162 176.600 -0.299 0.000 1.189 521 K CA 0.321 56.437 56.287 -0.286 0.000 1.032 521 K CB 0.711 32.944 32.500 -0.446 0.000 1.302 521 K HN 1.138 nan 8.250 nan 0.000 0.568 522 T N -0.415 114.018 114.554 -0.202 0.000 2.810 522 T HA 0.325 4.675 4.350 0.000 0.000 0.277 522 T C -1.688 172.899 174.700 -0.189 0.000 0.973 522 T CA -1.409 60.547 62.100 -0.240 0.000 0.949 522 T CB 0.864 69.575 68.868 -0.261 0.000 1.075 522 T HN 0.104 nan 8.240 nan 0.000 0.537 523 P HA -0.155 nan 4.420 nan 0.000 0.218 523 P C 1.654 178.886 177.300 -0.114 0.000 1.154 523 P CA 1.535 64.437 63.100 -0.330 0.000 0.872 523 P CB -0.302 30.981 31.700 -0.695 0.000 0.790 524 I N -5.860 114.714 120.570 0.007 0.000 2.296 524 I HA 0.037 4.207 4.170 0.000 0.000 0.242 524 I C 0.471 176.705 176.117 0.196 0.000 1.087 524 I CA 1.097 62.487 61.300 0.150 0.000 1.393 524 I CB -0.705 37.454 38.000 0.265 0.000 1.093 524 I HN -0.146 nan 8.210 nan 0.000 0.421 525 T N 0.312 115.096 114.554 0.383 0.000 2.665 525 T HA 0.348 4.699 4.350 0.000 0.000 0.303 525 T C -0.543 174.409 174.700 0.420 0.000 1.334 525 T CA -0.260 62.004 62.100 0.273 0.000 1.011 525 T CB 1.642 70.513 68.868 0.005 0.000 1.573 525 T HN 0.404 nan 8.240 nan 0.000 0.492 526 T N -0.513 114.125 114.554 0.140 0.000 2.829 526 T HA 0.593 4.943 4.350 0.000 0.000 0.282 526 T C -0.853 173.920 174.700 0.123 0.000 0.990 526 T CA -0.727 61.478 62.100 0.176 0.000 1.028 526 T CB 0.972 69.839 68.868 -0.002 0.000 0.951 526 T HN 0.475 nan 8.240 nan 0.000 0.460 527 W N 1.750 123.060 121.300 0.016 0.000 2.578 527 W HA 0.473 5.133 4.660 0.000 0.000 0.346 527 W C -0.905 175.866 176.519 0.420 0.000 1.075 527 W CA -1.176 56.304 57.345 0.225 0.000 1.233 527 W CB 1.737 31.405 29.460 0.346 0.000 1.358 527 W HN 0.696 nan 8.180 nan 0.000 0.574 528 Y N 1.940 122.519 120.300 0.465 0.000 2.329 528 Y HA 0.116 4.666 4.550 0.000 0.000 0.328 528 Y C 0.402 176.244 175.900 -0.096 0.000 0.992 528 Y CA -0.913 57.278 58.100 0.153 0.000 1.151 528 Y CB 2.246 40.714 38.460 0.013 0.000 1.150 528 Y HN 0.280 nan 8.280 nan 0.000 0.450 529 Q N 4.374 123.793 119.800 -0.634 0.000 2.354 529 Q HA 0.413 4.754 4.340 0.000 0.000 0.244 529 Q C -1.412 174.347 176.000 -0.401 0.000 0.969 529 Q CA -0.257 54.880 55.803 -1.111 0.000 0.885 529 Q CB 0.999 28.731 28.738 -1.677 0.000 1.241 529 Q HN 0.612 nan 8.270 nan 0.000 0.461 530 F N -0.741 118.940 119.950 -0.449 0.000 2.741 530 F HA 0.713 5.241 4.527 0.000 0.000 0.313 530 F C -1.558 174.080 175.800 -0.270 0.000 1.153 530 F CA -0.795 56.998 58.000 -0.344 0.000 0.931 530 F CB 1.054 39.871 39.000 -0.305 0.000 1.335 530 F HN 0.526 nan 8.300 nan 0.000 0.460 531 S N 0.955 116.666 115.700 0.019 0.000 2.618 531 S HA 0.881 5.351 4.470 0.000 0.000 0.277 531 S C -1.522 173.165 174.600 0.146 0.000 1.138 531 S CA -0.764 57.420 58.200 -0.026 0.000 0.844 531 S CB 1.974 65.130 63.200 -0.074 0.000 1.127 531 S HN 0.852 nan 8.310 nan 0.000 0.474 532 I N 0.697 121.347 120.570 0.132 0.000 2.647 532 I HA 0.577 4.747 4.170 0.000 0.000 0.295 532 I C 0.947 177.131 176.117 0.113 0.000 1.078 532 I CA -0.422 60.976 61.300 0.164 0.000 1.048 532 I CB 1.951 40.099 38.000 0.246 0.000 1.239 532 I HN 1.199 nan 8.210 nan 0.000 0.421 533 G N 3.736 112.602 108.800 0.111 0.000 2.296 533 G HA2 -0.147 3.813 3.960 0.000 0.000 0.282 533 G HA3 -0.147 3.813 3.960 0.000 0.000 0.282 533 G C 1.016 175.958 174.900 0.069 0.000 1.014 533 G CA 0.888 46.040 45.100 0.087 0.000 0.812 533 G HN 1.605 nan 8.290 nan 0.000 0.508 534 G N -1.207 107.634 108.800 0.069 0.000 2.498 534 G HA2 -0.304 3.657 3.960 0.000 0.000 0.229 534 G HA3 -0.304 3.657 3.960 0.000 0.000 0.229 534 G C 0.643 175.553 174.900 0.018 0.000 1.156 534 G CA 0.873 46.001 45.100 0.046 0.000 0.680 534 G HN 0.946 nan 8.290 nan 0.000 0.512 535 K N 1.463 121.874 120.400 0.019 0.000 2.412 535 K HA 0.458 4.778 4.320 0.000 0.000 0.281 535 K C 0.775 177.346 176.600 -0.047 0.000 1.027 535 K CA -0.119 56.165 56.287 -0.006 0.000 0.989 535 K CB 1.483 33.989 32.500 0.009 0.000 0.935 535 K HN 0.273 nan 8.250 nan 0.000 0.475 536 V N 5.201 125.061 119.914 -0.090 0.000 2.686 536 V HA 0.079 4.199 4.120 0.000 0.000 0.295 536 V C 1.722 177.667 176.094 -0.247 0.000 1.055 536 V CA 0.165 62.353 62.300 -0.186 0.000 1.050 536 V CB 0.730 32.449 31.823 -0.174 0.000 0.984 536 V HN 0.659 nan 8.190 nan 0.000 0.482 537 I N 1.526 121.800 120.570 -0.492 0.000 3.345 537 I HA 0.525 4.696 4.170 0.000 0.000 0.258 537 I C 1.147 176.915 176.117 -0.582 0.000 1.134 537 I CA 0.961 61.924 61.300 -0.563 0.000 1.457 537 I CB 0.593 38.095 38.000 -0.829 0.000 1.425 537 I HN 0.821 nan 8.210 nan 0.000 0.461 538 G N -0.618 107.653 108.800 -0.882 0.000 2.360 538 G HA2 0.162 4.122 3.960 0.000 0.000 0.276 538 G HA3 0.162 4.122 3.960 0.000 0.000 0.276 538 G C -2.354 172.308 174.900 -0.397 0.000 1.256 538 G CA -0.858 43.985 45.100 -0.428 0.000 0.890 538 G HN -0.005 nan 8.290 nan 0.000 0.486 539 W N -0.597 120.773 121.300 0.116 0.000 2.578 539 W HA 0.758 5.419 4.660 0.000 0.000 0.346 539 W C -0.124 176.682 176.519 0.478 0.000 1.075 539 W CA -0.634 56.942 57.345 0.384 0.000 1.233 539 W CB 2.191 31.979 29.460 0.547 0.000 1.358 539 W HN 0.324 nan 8.180 nan 0.000 0.574 540 V N 1.426 121.664 119.914 0.540 0.000 2.969 540 V HA 0.075 4.195 4.120 0.000 0.000 0.304 540 V C -0.771 175.073 176.094 -0.418 0.000 1.192 540 V CA -1.087 61.301 62.300 0.147 0.000 0.962 540 V CB 2.094 34.010 31.823 0.155 0.000 1.045 540 V HN 0.450 nan 8.190 nan 0.000 0.428 541 D N 2.820 122.833 120.400 -0.645 0.000 2.402 541 D HA -0.035 4.605 4.640 0.000 0.000 0.268 541 D C 1.647 177.647 176.300 -0.500 0.000 1.294 541 D CA 0.972 54.434 54.000 -0.896 0.000 0.945 541 D CB 1.445 41.906 40.800 -0.565 0.000 1.112 541 D HN 0.900 nan 8.370 nan 0.000 0.517 542 T N 1.923 116.156 114.554 -0.536 0.000 2.848 542 T HA -0.284 4.066 4.350 0.000 0.000 0.269 542 T C 1.583 176.127 174.700 -0.260 0.000 1.081 542 T CA 1.257 63.103 62.100 -0.423 0.000 1.125 542 T CB -0.230 68.224 68.868 -0.691 0.000 0.848 542 T HN 0.636 nan 8.240 nan 0.000 0.503 543 R N 0.838 121.194 120.500 -0.239 0.000 2.299 543 R HA 0.509 4.849 4.340 0.000 0.000 0.197 543 R C 2.317 178.551 176.300 -0.109 0.000 0.971 543 R CA 0.666 56.679 56.100 -0.145 0.000 1.030 543 R CB -0.344 29.883 30.300 -0.121 0.000 0.932 543 R HN 0.448 nan 8.270 nan 0.000 0.477 544 A N 1.403 124.146 122.820 -0.129 0.000 2.081 544 A HA 0.259 4.579 4.320 0.000 0.000 0.214 544 A C 1.034 178.574 177.584 -0.074 0.000 1.158 544 A CA 0.094 52.079 52.037 -0.087 0.000 0.724 544 A CB 0.096 19.043 19.000 -0.088 0.000 0.826 544 A HN 0.158 nan 8.150 nan 0.000 0.463 545 L N -1.186 119.984 121.223 -0.089 0.000 2.440 545 L HA 0.410 4.750 4.340 0.000 0.000 0.262 545 L C -0.029 176.816 176.870 -0.041 0.000 1.072 545 L CA -0.866 53.929 54.840 -0.074 0.000 0.798 545 L CB 0.715 42.721 42.059 -0.089 0.000 1.307 545 L HN 0.280 nan 8.230 nan 0.000 0.475 546 N N -0.394 118.291 118.700 -0.025 0.000 2.648 546 N HA 0.114 4.854 4.740 0.000 0.000 0.261 546 N C -0.790 174.695 175.510 -0.042 0.000 1.138 546 N CA -0.521 52.535 53.050 0.009 0.000 0.804 546 N CB 0.873 39.404 38.487 0.073 0.000 1.237 546 N HN 0.558 nan 8.380 nan 0.000 0.532 547 T N 1.473 115.969 114.554 -0.097 0.000 3.162 547 T HA 0.099 4.449 4.350 0.000 0.000 0.264 547 T C 1.189 175.760 174.700 -0.215 0.000 0.959 547 T CA -0.603 61.341 62.100 -0.259 0.000 1.118 547 T CB -1.030 67.749 68.868 -0.149 0.000 0.979 547 T HN 0.387 nan 8.240 nan 0.000 0.679 548 F N 0.730 120.692 119.950 0.021 0.000 2.604 548 F HA 0.282 4.809 4.527 0.000 0.000 0.298 548 F C 0.267 176.094 175.800 0.045 0.000 1.131 548 F CA -1.350 56.662 58.000 0.021 0.000 1.457 548 F CB -0.767 38.243 39.000 0.017 0.000 1.095 548 F HN 0.569 nan 8.300 nan 0.000 0.574 549 Y N 1.335 121.489 120.300 -0.243 0.000 2.386 549 Y HA 0.660 5.211 4.550 0.000 0.000 0.334 549 Y C -1.258 174.518 175.900 -0.206 0.000 1.002 549 Y CA -2.120 55.882 58.100 -0.164 0.000 1.068 549 Y CB 1.117 39.487 38.460 -0.151 0.000 1.203 549 Y HN -0.074 nan 8.280 nan 0.000 0.443 550 K N 3.733 123.531 120.400 -1.003 0.000 2.498 550 K HA 0.368 4.688 4.320 0.000 0.000 0.254 550 K C 0.334 176.454 176.600 -0.801 0.000 0.933 550 K CA -0.503 55.237 56.287 -0.911 0.000 0.806 550 K CB 1.976 34.240 32.500 -0.392 0.000 1.301 550 K HN 0.853 nan 8.250 nan 0.000 0.432 551 Q N 0.289 119.730 119.800 -0.599 0.000 2.133 551 Q HA -0.200 4.140 4.340 0.000 0.000 0.208 551 Q C 1.146 177.077 176.000 -0.114 0.000 0.991 551 Q CA 2.257 57.916 55.803 -0.238 0.000 0.867 551 Q CB -0.173 28.498 28.738 -0.111 0.000 0.911 551 Q HN 0.819 nan 8.270 nan 0.000 0.417 552 S N 0.079 115.706 115.700 -0.121 0.000 2.484 552 S HA -0.166 4.304 4.470 0.000 0.000 0.250 552 S C 1.682 176.267 174.600 -0.026 0.000 0.995 552 S CA 1.178 59.345 58.200 -0.054 0.000 0.967 552 S CB -0.277 62.889 63.200 -0.056 0.000 0.752 552 S HN 0.330 nan 8.310 nan 0.000 0.517 553 M N 0.665 120.235 119.600 -0.049 0.000 2.556 553 M HA 0.190 4.670 4.480 0.000 0.000 0.245 553 M C 0.113 176.457 176.300 0.073 0.000 1.128 553 M CA 0.445 55.750 55.300 0.008 0.000 1.069 553 M CB -0.058 32.538 32.600 -0.006 0.000 1.469 553 M HN 0.259 nan 8.290 nan 0.000 0.494 554 E N 3.291 123.545 120.200 0.090 0.000 1.865 554 E HA 0.075 4.425 4.350 0.000 0.000 0.269 554 E C -0.489 176.235 176.600 0.207 0.000 1.177 554 E CA -0.134 56.392 56.400 0.210 0.000 0.932 554 E CB 0.161 30.024 29.700 0.272 0.000 1.066 554 E HN 0.310 nan 8.360 nan 0.000 0.405 555 K N 3.164 123.686 120.400 0.204 0.000 2.211 555 K HA 0.408 4.728 4.320 0.000 0.000 0.275 555 K C -2.466 174.228 176.600 0.155 0.000 1.024 555 K CA -2.042 54.335 56.287 0.150 0.000 0.887 555 K CB 1.163 33.735 32.500 0.120 0.000 1.084 555 K HN 0.074 nan 8.250 nan 0.000 0.463 556 P HA 0.026 nan 4.420 nan 0.000 0.273 556 P C -0.476 176.845 177.300 0.035 0.000 1.250 556 P CA -0.001 63.138 63.100 0.065 0.000 0.793 556 P CB 1.034 32.760 31.700 0.042 0.000 1.011 557 T N -2.479 112.070 114.554 -0.008 0.000 2.659 557 T HA 0.545 4.895 4.350 0.000 0.000 0.289 557 T C -0.635 174.024 174.700 -0.068 0.000 1.480 557 T CA -0.692 61.386 62.100 -0.037 0.000 1.039 557 T CB 0.801 69.633 68.868 -0.060 0.000 1.886 557 T HN 0.438 nan 8.240 nan 0.000 0.444 558 R N 0.391 120.835 120.500 -0.094 0.000 2.606 558 R HA 0.539 4.880 4.340 0.000 0.000 0.202 558 R C -1.874 174.355 176.300 -0.118 0.000 1.371 558 R CA -0.371 55.669 56.100 -0.100 0.000 1.355 558 R CB -0.625 29.636 30.300 -0.064 0.000 1.477 558 R HN 0.680 nan 8.270 nan 0.000 0.775 559 L N -0.073 121.042 121.223 -0.180 0.000 2.358 559 L HA 0.781 5.121 4.340 0.000 0.000 0.268 559 L C -0.658 176.095 176.870 -0.194 0.000 1.032 559 L CA 0.058 54.787 54.840 -0.186 0.000 0.805 559 L CB 2.127 44.028 42.059 -0.263 0.000 1.253 559 L HN 0.309 nan 8.230 nan 0.000 0.452 560 T N 3.922 118.388 114.554 -0.146 0.000 2.856 560 T HA 0.778 5.128 4.350 0.000 0.000 0.283 560 T C -0.563 174.049 174.700 -0.146 0.000 1.008 560 T CA -0.643 61.358 62.100 -0.166 0.000 0.997 560 T CB 1.332 70.117 68.868 -0.139 0.000 0.992 560 T HN 0.471 nan 8.240 nan 0.000 0.454 561 R N 1.287 121.644 120.500 -0.238 0.000 2.795 561 R HA 0.589 4.929 4.340 0.000 0.000 0.268 561 R C -1.600 174.470 176.300 -0.385 0.000 1.041 561 R CA -0.752 55.260 56.100 -0.148 0.000 0.927 561 R CB 1.327 31.621 30.300 -0.011 0.000 1.235 561 R HN 0.603 nan 8.270 nan 0.000 0.463 562 Y N -1.318 118.980 120.300 -0.004 0.000 2.698 562 Y HA 0.523 5.073 4.550 0.000 0.000 0.332 562 Y C 0.167 176.067 175.900 -0.001 0.000 1.119 562 Y CA -0.989 57.108 58.100 -0.004 0.000 1.109 562 Y CB 1.336 39.797 38.460 0.001 0.000 1.308 562 Y HN 0.099 nan 8.280 nan 0.000 0.499 563 V N 0.514 120.533 119.914 0.176 0.000 2.644 563 V HA 0.355 4.475 4.120 0.000 0.000 0.295 563 V C 0.059 176.202 176.094 0.081 0.000 1.053 563 V CA -0.856 61.502 62.300 0.097 0.000 0.987 563 V CB 1.535 33.411 31.823 0.088 0.000 1.006 563 V HN 0.725 nan 8.190 nan 0.000 0.472 564 S N 2.344 118.073 115.700 0.047 0.000 2.489 564 S HA 0.451 4.921 4.470 0.000 0.000 0.277 564 S C 1.209 175.822 174.600 0.022 0.000 1.230 564 S CA -0.047 58.170 58.200 0.027 0.000 1.053 564 S CB 1.234 64.439 63.200 0.008 0.000 0.955 564 S HN 0.997 nan 8.310 nan 0.000 0.488 565 A N 5.171 128.000 122.820 0.015 0.000 1.972 565 A HA -0.070 4.251 4.320 0.000 0.000 0.219 565 A C 1.881 179.469 177.584 0.006 0.000 1.169 565 A CA 1.295 53.338 52.037 0.011 0.000 0.635 565 A CB -0.444 18.558 19.000 0.004 0.000 0.810 565 A HN 0.879 nan 8.150 nan 0.000 0.446 566 N N -0.765 117.936 118.700 0.001 0.000 2.422 566 N HA 0.003 4.743 4.740 0.000 0.000 0.181 566 N C 0.668 176.174 175.510 -0.006 0.000 1.080 566 N CA 0.496 53.543 53.050 -0.005 0.000 0.893 566 N CB 0.205 38.687 38.487 -0.009 0.000 0.973 566 N HN 0.295 nan 8.380 nan 0.000 0.456 567 K N 0.404 120.802 120.400 -0.004 0.000 2.358 567 K HA 0.310 4.630 4.320 0.000 0.000 0.200 567 K C 1.355 177.960 176.600 0.007 0.000 1.030 567 K CA -0.125 56.157 56.287 -0.008 0.000 1.097 567 K CB 0.565 33.053 32.500 -0.021 0.000 0.862 567 K HN -0.010 nan 8.250 nan 0.000 0.534 568 A N 1.002 123.833 122.820 0.017 0.000 2.024 568 A HA -0.095 4.225 4.320 0.000 0.000 0.220 568 A C 2.189 179.790 177.584 0.028 0.000 1.164 568 A CA 2.023 54.079 52.037 0.032 0.000 0.643 568 A CB -0.740 18.277 19.000 0.029 0.000 0.806 568 A HN 0.328 nan 8.150 nan 0.000 0.451 569 G N -0.673 108.135 108.800 0.014 0.000 2.448 569 G HA2 -0.002 3.958 3.960 0.000 0.000 0.218 569 G HA3 -0.002 3.958 3.960 0.000 0.000 0.218 569 G C 0.625 175.529 174.900 0.008 0.000 1.135 569 G CA 0.079 45.184 45.100 0.008 0.000 0.784 569 G HN 0.459 nan 8.290 nan 0.000 0.543 570 E N 0.964 121.170 120.200 0.010 0.000 2.418 570 E HA 0.240 4.590 4.350 0.000 0.000 0.261 570 E C 0.501 177.112 176.600 0.018 0.000 1.070 570 E CA 0.115 56.523 56.400 0.013 0.000 0.931 570 E CB 1.319 31.018 29.700 -0.002 0.000 0.954 570 E HN 0.346 nan 8.360 nan 0.000 0.439 571 S N 1.372 117.070 115.700 -0.005 0.000 2.767 571 S HA 0.664 5.134 4.470 0.000 0.000 0.300 571 S C -0.589 173.950 174.600 -0.100 0.000 1.123 571 S CA -0.798 57.323 58.200 -0.132 0.000 0.992 571 S CB 0.755 63.751 63.200 -0.340 0.000 1.138 571 S HN 0.464 nan 8.310 nan 0.000 0.550 572 Y N -1.824 118.291 120.300 -0.308 0.000 2.562 572 Y HA 0.858 5.408 4.550 0.000 0.000 0.343 572 Y C -1.498 174.151 175.900 -0.418 0.000 1.025 572 Y CA -1.582 56.420 58.100 -0.163 0.000 1.082 572 Y CB 0.546 38.957 38.460 -0.083 0.000 1.264 572 Y HN 0.667 nan 8.280 nan 0.000 0.478 573 Y N 0.167 120.694 120.300 0.378 0.000 2.662 573 Y HA 0.438 4.988 4.550 0.000 0.000 0.335 573 Y C 1.161 177.270 175.900 0.347 0.000 1.066 573 Y CA -1.676 56.570 58.100 0.243 0.000 1.116 573 Y CB 1.726 40.265 38.460 0.132 0.000 1.308 573 Y HN 0.704 nan 8.280 nan 0.000 0.502 574 K N 0.327 120.977 120.400 0.416 0.000 2.296 574 K HA 0.141 4.461 4.320 0.000 0.000 0.200 574 K C -0.400 176.438 176.600 0.397 0.000 1.048 574 K CA 0.885 57.424 56.287 0.420 0.000 0.966 574 K CB 0.133 32.809 32.500 0.294 0.000 0.754 574 K HN 0.467 nan 8.250 nan 0.000 0.466 575 V N -1.721 118.243 119.914 0.083 0.000 2.925 575 V HA 0.409 4.529 4.120 0.000 0.000 0.311 575 V C -2.736 172.839 176.094 -0.865 0.000 1.104 575 V CA -2.284 59.718 62.300 -0.497 0.000 0.954 575 V CB 1.692 33.226 31.823 -0.481 0.000 1.022 575 V HN -0.060 nan 8.190 nan 0.000 0.427 576 P HA 0.096 nan 4.420 nan 0.000 0.248 576 P C -0.362 175.637 177.300 -2.168 0.000 1.553 576 P CA 0.437 62.455 63.100 -1.803 0.000 0.901 576 P CB -0.171 30.529 31.700 -1.667 0.000 1.816 577 V N 0.529 119.497 119.914 -1.576 0.000 2.612 577 V HA 0.422 4.542 4.120 0.000 0.000 0.301 577 V C 0.445 175.906 176.094 -1.056 0.000 1.059 577 V CA -1.052 60.533 62.300 -1.191 0.000 0.886 577 V CB 2.025 33.109 31.823 -1.231 0.000 1.007 577 V HN 0.171 nan 8.190 nan 0.000 0.426 578 A N 2.976 125.339 122.820 -0.762 0.000 3.037 578 A HA 0.503 4.823 4.320 0.000 0.000 0.272 578 A C -0.126 177.106 177.584 -0.585 0.000 1.723 578 A CA 0.175 51.601 52.037 -1.018 0.000 1.413 578 A CB -0.601 18.203 19.000 -0.328 0.000 1.112 578 A HN 0.826 nan 8.150 nan 0.000 0.606 579 D N 0.146 120.228 120.400 -0.530 0.000 2.362 579 D HA 0.167 4.807 4.640 0.000 0.000 0.247 579 D C 1.162 177.524 176.300 0.104 0.000 1.050 579 D CA -0.553 53.371 54.000 -0.128 0.000 0.839 579 D CB 0.991 41.740 40.800 -0.084 0.000 1.283 579 D HN 0.238 nan 8.370 nan 0.000 0.477 580 N N 3.175 121.970 118.700 0.158 0.000 2.061 580 N HA -0.116 4.625 4.740 0.000 0.000 0.193 580 N C -1.121 174.490 175.510 0.169 0.000 1.030 580 N CA 1.349 54.512 53.050 0.189 0.000 0.856 580 N CB -0.573 37.983 38.487 0.116 0.000 1.023 580 N HN 0.362 nan 8.380 nan 0.000 0.424 581 P HA -0.102 nan 4.420 nan 0.000 0.221 581 P C 0.985 178.380 177.300 0.158 0.000 1.141 581 P CA 0.979 64.162 63.100 0.139 0.000 0.794 581 P CB -0.010 31.779 31.700 0.147 0.000 0.764 582 V N -5.448 114.592 119.914 0.209 0.000 3.276 582 V HA 0.242 4.362 4.120 0.000 0.000 0.319 582 V C 0.708 176.968 176.094 0.276 0.000 1.427 582 V CA -0.590 61.848 62.300 0.230 0.000 1.102 582 V CB -0.756 31.184 31.823 0.195 0.000 1.020 582 V HN -0.111 nan 8.190 nan 0.000 0.456 583 K N 1.739 122.255 120.400 0.192 0.000 2.379 583 K HA 0.266 4.586 4.320 0.000 0.000 0.284 583 K C 0.590 177.049 176.600 -0.236 0.000 1.044 583 K CA -0.296 55.866 56.287 -0.208 0.000 0.974 583 K CB 0.460 32.853 32.500 -0.178 0.000 0.962 583 K HN 0.174 nan 8.250 nan 0.000 0.474 584 R N 2.368 122.603 120.500 -0.442 0.000 2.508 584 R HA 0.237 4.577 4.340 0.000 0.000 0.300 584 R C 0.171 176.101 176.300 -0.618 0.000 0.970 584 R CA 0.153 56.059 56.100 -0.323 0.000 1.102 584 R CB 1.160 31.463 30.300 0.006 0.000 1.246 584 R HN 0.940 nan 8.270 nan 0.000 0.539 585 G N -0.544 107.649 108.800 -1.013 0.000 2.356 585 G HA2 -0.001 3.959 3.960 0.000 0.000 0.288 585 G HA3 -0.001 3.959 3.960 0.000 0.000 0.288 585 G C -1.398 173.081 174.900 -0.702 0.000 1.302 585 G CA -0.716 43.922 45.100 -0.769 0.000 0.887 585 G HN -0.093 nan 8.290 nan 0.000 0.521 586 T N 1.104 115.594 114.554 -0.107 0.000 2.841 586 T HA 0.474 4.824 4.350 0.000 0.000 0.283 586 T C 1.716 176.607 174.700 0.318 0.000 1.000 586 T CA -0.534 61.596 62.100 0.050 0.000 0.977 586 T CB 1.634 70.508 68.868 0.010 0.000 0.979 586 T HN 0.494 nan 8.240 nan 0.000 0.446 587 L N 1.891 123.289 121.223 0.291 0.000 2.079 587 L HA -0.134 4.206 4.340 0.000 0.000 0.210 587 L C 2.799 179.819 176.870 0.250 0.000 1.081 587 L CA 1.313 56.321 54.840 0.280 0.000 0.752 587 L CB -0.576 41.570 42.059 0.145 0.000 0.896 587 L HN 0.830 nan 8.230 nan 0.000 0.433 588 A N 0.008 122.915 122.820 0.145 0.000 2.245 588 A HA -0.218 4.103 4.320 0.000 0.000 0.217 588 A C 2.174 179.784 177.584 0.044 0.000 1.171 588 A CA 1.495 53.581 52.037 0.082 0.000 0.688 588 A CB -0.433 18.593 19.000 0.043 0.000 0.781 588 A HN 0.427 nan 8.150 nan 0.000 0.479 589 K N -1.866 118.566 120.400 0.052 0.000 2.296 589 K HA -0.020 4.300 4.320 0.000 0.000 0.200 589 K C 0.438 176.781 176.600 -0.430 0.000 1.048 589 K CA 1.033 57.206 56.287 -0.191 0.000 0.966 589 K CB -0.053 32.290 32.500 -0.262 0.000 0.754 589 K HN 0.679 nan 8.250 nan 0.000 0.466 590 Y N 1.070 121.367 120.300 -0.005 0.000 2.507 590 Y HA 0.110 4.660 4.550 0.000 0.000 0.254 590 Y C 0.350 176.250 175.900 -0.001 0.000 1.171 590 Y CA -0.804 57.282 58.100 -0.023 0.000 1.238 590 Y CB 0.206 38.626 38.460 -0.066 0.000 1.148 590 Y HN -0.199 nan 8.280 nan 0.000 0.525 591 K N 2.943 123.398 120.400 0.092 0.000 2.272 591 K HA -0.228 4.092 4.320 0.000 0.000 0.259 591 K C -0.420 176.219 176.600 0.066 0.000 1.280 591 K CA 0.858 57.188 56.287 0.071 0.000 1.275 591 K CB -0.775 31.745 32.500 0.034 0.000 0.800 591 K HN 0.592 nan 8.250 nan 0.000 0.484 592 N N 2.436 121.197 118.700 0.101 0.000 2.995 592 N HA -0.139 4.601 4.740 0.000 0.000 0.247 592 N C -1.022 174.569 175.510 0.135 0.000 1.129 592 N CA 0.656 53.771 53.050 0.109 0.000 0.721 592 N CB -0.788 37.731 38.487 0.054 0.000 1.079 592 N HN 0.732 nan 8.380 nan 0.000 0.553 593 Q N 0.187 120.083 119.800 0.159 0.000 2.378 593 Q HA 0.430 4.770 4.340 0.000 0.000 0.276 593 Q C -0.038 176.017 176.000 0.091 0.000 1.083 593 Q CA -0.745 55.134 55.803 0.126 0.000 0.856 593 Q CB 2.211 31.026 28.738 0.128 0.000 1.383 593 Q HN 0.077 nan 8.270 nan 0.000 0.458 594 K N 1.488 121.886 120.400 -0.003 0.000 2.258 594 K HA 0.368 4.689 4.320 0.000 0.000 0.284 594 K C -1.220 175.234 176.600 -0.244 0.000 1.051 594 K CA -0.128 56.030 56.287 -0.214 0.000 0.923 594 K CB 0.424 32.843 32.500 -0.135 0.000 1.046 594 K HN 0.448 nan 8.250 nan 0.000 0.474 595 L N 6.403 127.391 121.223 -0.391 0.000 2.313 595 L HA 0.452 4.792 4.340 0.000 0.000 0.283 595 L C -0.334 176.365 176.870 -0.285 0.000 1.013 595 L CA -0.842 53.819 54.840 -0.298 0.000 0.816 595 L CB 1.591 43.488 42.059 -0.271 0.000 1.236 595 L HN 0.583 nan 8.230 nan 0.000 0.419 596 I N 4.050 124.484 120.570 -0.226 0.000 2.312 596 I HA 0.214 4.384 4.170 0.000 0.000 0.290 596 I C -0.264 175.729 176.117 -0.206 0.000 1.008 596 I CA -0.657 60.526 61.300 -0.195 0.000 1.226 596 I CB 1.724 39.637 38.000 -0.144 0.000 1.371 596 I HN 0.229 nan 8.210 nan 0.000 0.468 597 V N 6.765 126.538 119.914 -0.235 0.000 2.353 597 V HA 0.065 4.185 4.120 0.000 0.000 0.264 597 V C 0.920 176.868 176.094 -0.243 0.000 1.049 597 V CA -0.320 61.809 62.300 -0.286 0.000 0.896 597 V CB 0.697 32.236 31.823 -0.472 0.000 1.025 597 V HN 0.792 nan 8.190 nan 0.000 0.475 598 D N 2.323 122.605 120.400 -0.197 0.000 2.290 598 D HA -0.010 4.630 4.640 0.000 0.000 0.224 598 D C 0.950 177.179 176.300 -0.118 0.000 0.967 598 D CA 0.347 54.265 54.000 -0.137 0.000 0.893 598 D CB 0.459 41.199 40.800 -0.100 0.000 1.037 598 D HN 0.518 nan 8.370 nan 0.000 0.477 599 C N 0.357 119.570 119.300 -0.146 0.000 2.451 599 C HA 0.659 5.119 4.460 0.000 0.000 0.391 599 C C -1.101 173.893 174.990 0.008 0.000 1.286 599 C CA -0.187 58.804 59.018 -0.046 0.000 1.935 599 C CB 1.133 28.873 27.740 -0.000 0.000 2.188 599 C HN 0.607 nan 8.230 nan 0.000 0.523 600 Q N 1.382 121.374 119.800 0.320 0.000 2.756 600 Q HA 0.703 5.043 4.340 0.000 0.000 0.295 600 Q C -1.632 174.755 176.000 0.645 0.000 0.903 600 Q CA -0.748 55.397 55.803 0.570 0.000 0.768 600 Q CB 1.392 30.384 28.738 0.423 0.000 1.472 600 Q HN 1.332 nan 8.270 nan 0.000 0.416 601 A N 0.485 123.653 122.820 0.581 0.000 2.582 601 A HA 0.650 4.970 4.320 0.000 0.000 0.297 601 A C -1.299 176.449 177.584 0.272 0.000 1.059 601 A CA -0.545 51.680 52.037 0.312 0.000 0.705 601 A CB 2.107 21.162 19.000 0.090 0.000 1.279 601 A HN 0.547 nan 8.150 nan 0.000 0.404 602 T N 3.407 118.074 114.554 0.188 0.000 2.770 602 T HA 0.548 4.898 4.350 0.000 0.000 0.297 602 T C -0.249 174.528 174.700 0.128 0.000 0.997 602 T CA -0.153 62.053 62.100 0.176 0.000 0.949 602 T CB -0.012 68.939 68.868 0.138 0.000 0.941 602 T HN 0.425 nan 8.240 nan 0.000 0.457 603 I N 2.856 123.506 120.570 0.135 0.000 2.474 603 I HA 0.355 4.525 4.170 0.000 0.000 0.294 603 I C 0.769 176.937 176.117 0.084 0.000 1.005 603 I CA -0.862 60.482 61.300 0.072 0.000 1.113 603 I CB 1.335 39.271 38.000 -0.105 0.000 1.289 603 I HN 0.607 nan 8.210 nan 0.000 0.436 604 E N 4.400 124.635 120.200 0.059 0.000 2.551 604 E HA -0.289 4.062 4.350 0.000 0.000 0.251 604 E C 1.216 177.833 176.600 0.028 0.000 1.210 604 E CA 1.120 57.526 56.400 0.011 0.000 0.725 604 E CB -1.361 28.282 29.700 -0.096 0.000 1.290 604 E HN 1.189 nan 8.360 nan 0.000 0.413 605 G N -0.704 108.129 108.800 0.056 0.000 2.217 605 G HA2 -0.339 3.621 3.960 0.000 0.000 0.246 605 G HA3 -0.339 3.621 3.960 0.000 0.000 0.246 605 G C 0.229 175.165 174.900 0.060 0.000 0.990 605 G CA 0.502 45.632 45.100 0.050 0.000 0.627 605 G HN 0.345 nan 8.290 nan 0.000 0.522 606 Q N -0.460 119.399 119.800 0.099 0.000 2.226 606 Q HA 0.688 5.028 4.340 0.000 0.000 0.256 606 Q C -0.590 175.515 176.000 0.176 0.000 0.962 606 Q CA -0.952 54.908 55.803 0.095 0.000 0.887 606 Q CB 2.101 30.890 28.738 0.085 0.000 1.282 606 Q HN 0.299 nan 8.270 nan 0.000 0.449 607 L N 2.094 123.344 121.223 0.046 0.000 2.264 607 L HA 0.402 4.742 4.340 0.000 0.000 0.289 607 L C -1.799 175.051 176.870 -0.035 0.000 1.044 607 L CA 0.110 54.980 54.840 0.050 0.000 0.807 607 L CB 0.350 42.361 42.059 -0.080 0.000 1.192 607 L HN 0.503 nan 8.230 nan 0.000 0.425 608 W N 4.727 126.039 121.300 0.021 0.000 2.689 608 W HA 0.544 5.205 4.660 0.000 0.000 0.340 608 W C -0.948 175.804 176.519 0.388 0.000 1.060 608 W CA -0.256 57.179 57.345 0.151 0.000 1.218 608 W CB 1.113 30.734 29.460 0.269 0.000 1.410 608 W HN 0.338 nan 8.180 nan 0.000 0.528 609 Y N 0.992 121.560 120.300 0.446 0.000 2.485 609 Y HA 0.464 5.014 4.550 0.000 0.000 0.345 609 Y C 0.241 176.051 175.900 -0.149 0.000 0.998 609 Y CA -1.671 56.516 58.100 0.145 0.000 1.059 609 Y CB 2.303 40.772 38.460 0.015 0.000 1.234 609 Y HN 0.139 nan 8.280 nan 0.000 0.461 610 R N 4.835 125.047 120.500 -0.480 0.000 2.233 610 R HA 0.390 4.730 4.340 0.000 0.000 0.334 610 R C -0.905 175.133 176.300 -0.435 0.000 1.037 610 R CA -0.359 55.185 56.100 -0.926 0.000 0.920 610 R CB 0.037 29.424 30.300 -1.521 0.000 1.137 610 R HN 0.681 nan 8.270 nan 0.000 0.492 611 I N 1.257 121.609 120.570 -0.364 0.000 2.677 611 I HA 0.594 4.764 4.170 0.000 0.000 0.305 611 I C -0.444 175.437 176.117 -0.394 0.000 0.988 611 I CA -0.963 60.135 61.300 -0.337 0.000 1.260 611 I CB 1.425 39.222 38.000 -0.339 0.000 1.410 611 I HN 0.625 nan 8.210 nan 0.000 0.523 612 R N 1.920 122.234 120.500 -0.309 0.000 2.634 612 R HA 0.481 4.821 4.340 0.000 0.000 0.263 612 R C -1.467 174.714 176.300 -0.198 0.000 1.060 612 R CA -0.716 55.236 56.100 -0.246 0.000 0.898 612 R CB 1.227 31.503 30.300 -0.042 0.000 1.253 612 R HN 0.671 nan 8.270 nan 0.000 0.461 613 T N 0.851 115.313 114.554 -0.152 0.000 2.899 613 T HA 0.051 4.401 4.350 0.000 0.000 0.284 613 T C 1.126 175.798 174.700 -0.046 0.000 1.004 613 T CA -0.102 61.951 62.100 -0.078 0.000 1.043 613 T CB 1.515 70.391 68.868 0.014 0.000 1.013 613 T HN 0.679 nan 8.240 nan 0.000 0.518 614 S N 0.672 116.349 115.700 -0.039 0.000 2.571 614 S HA -0.084 4.386 4.470 0.000 0.000 0.245 614 S C 1.588 176.184 174.600 -0.006 0.000 0.976 614 S CA 1.292 59.476 58.200 -0.027 0.000 0.954 614 S CB -0.324 62.861 63.200 -0.025 0.000 0.756 614 S HN 0.609 nan 8.310 nan 0.000 0.535 615 S N -0.495 115.208 115.700 0.005 0.000 2.694 615 S HA 0.231 4.701 4.470 0.000 0.000 0.225 615 S C 0.535 175.156 174.600 0.035 0.000 1.012 615 S CA -0.003 58.209 58.200 0.021 0.000 0.896 615 S CB 0.252 63.468 63.200 0.027 0.000 0.838 615 S HN 0.501 nan 8.310 nan 0.000 0.604 616 T N 2.155 116.736 114.554 0.045 0.000 2.908 616 T HA 0.559 4.909 4.350 0.000 0.000 0.290 616 T C -1.018 173.714 174.700 0.055 0.000 1.034 616 T CA -0.595 61.547 62.100 0.070 0.000 1.010 616 T CB 1.508 70.427 68.868 0.084 0.000 1.068 616 T HN 0.202 nan 8.240 nan 0.000 0.481 617 F N 2.323 122.245 119.950 -0.046 0.000 2.495 617 F HA 0.408 4.935 4.527 0.000 0.000 0.365 617 F C 0.487 176.213 175.800 -0.124 0.000 1.090 617 F CA -0.738 57.207 58.000 -0.092 0.000 1.235 617 F CB -0.007 38.960 39.000 -0.055 0.000 1.119 617 F HN 0.543 nan 8.300 nan 0.000 0.562 618 I N 3.318 123.211 120.570 -1.128 0.000 3.325 618 I HA 0.424 4.595 4.170 0.000 0.000 0.237 618 I C 1.312 176.580 176.117 -1.416 0.000 1.068 618 I CA 0.594 61.188 61.300 -1.176 0.000 1.511 618 I CB -0.413 36.858 38.000 -1.215 0.000 1.409 618 I HN 0.782 nan 8.210 nan 0.000 0.464 619 G N -0.685 107.335 108.800 -1.300 0.000 2.398 619 G HA2 0.077 4.037 3.960 0.000 0.000 0.251 619 G HA3 0.077 4.037 3.960 0.000 0.000 0.251 619 G C -2.363 172.394 174.900 -0.238 0.000 1.277 619 G CA -0.886 43.861 45.100 -0.588 0.000 0.927 619 G HN 0.079 nan 8.290 nan 0.000 0.477 620 W N 0.467 121.890 121.300 0.205 0.000 2.478 620 W HA 0.711 5.371 4.660 0.000 0.000 0.318 620 W C 0.368 177.189 176.519 0.502 0.000 1.062 620 W CA 0.057 57.607 57.345 0.342 0.000 1.210 620 W CB 2.321 31.972 29.460 0.317 0.000 1.325 620 W HN 0.648 nan 8.180 nan 0.000 0.496 621 T N 2.537 117.479 114.554 0.647 0.000 2.868 621 T HA 0.355 4.705 4.350 0.000 0.000 0.306 621 T C -0.859 173.806 174.700 -0.059 0.000 1.224 621 T CA -0.963 61.329 62.100 0.319 0.000 1.012 621 T CB 0.923 69.870 68.868 0.132 0.000 1.221 621 T HN 0.290 nan 8.240 nan 0.000 0.499 622 K N 2.070 122.063 120.400 -0.678 0.000 2.401 622 K HA 0.388 4.709 4.320 0.000 0.000 0.278 622 K C 1.289 177.613 176.600 -0.459 0.000 1.018 622 K CA 0.158 55.910 56.287 -0.890 0.000 0.981 622 K CB 0.917 32.834 32.500 -0.972 0.000 0.933 622 K HN 0.675 nan 8.250 nan 0.000 0.477 623 A N 2.923 125.421 122.820 -0.537 0.000 2.125 623 A HA -0.132 4.188 4.320 0.000 0.000 0.219 623 A C 1.952 179.343 177.584 -0.321 0.000 1.156 623 A CA 1.739 53.417 52.037 -0.599 0.000 0.671 623 A CB -0.381 17.878 19.000 -1.235 0.000 0.794 623 A HN 0.812 nan 8.150 nan 0.000 0.459 624 A N -0.091 122.545 122.820 -0.307 0.000 2.259 624 A HA -0.081 4.239 4.320 0.000 0.000 0.212 624 A C 1.354 178.850 177.584 -0.146 0.000 1.178 624 A CA 1.196 53.112 52.037 -0.201 0.000 0.734 624 A CB -0.364 18.511 19.000 -0.210 0.000 0.774 624 A HN 0.557 nan 8.150 nan 0.000 0.481 625 N N -1.124 117.488 118.700 -0.148 0.000 2.187 625 N HA 0.276 5.016 4.740 0.000 0.000 0.212 625 N C -0.608 174.881 175.510 -0.035 0.000 1.152 625 N CA 0.160 53.160 53.050 -0.084 0.000 0.872 625 N CB 0.644 39.078 38.487 -0.088 0.000 1.025 625 N HN 0.259 nan 8.380 nan 0.000 0.514 626 L N 0.200 121.410 121.223 -0.022 0.000 2.211 626 L HA 0.590 4.930 4.340 0.000 0.000 0.259 626 L C 0.142 177.051 176.870 0.065 0.000 1.031 626 L CA -0.891 53.973 54.840 0.039 0.000 0.877 626 L CB 1.017 43.123 42.059 0.078 0.000 1.457 626 L HN 0.051 nan 8.230 nan 0.000 0.466 627 R N -0.821 119.749 120.500 0.117 0.000 2.643 627 R HA 0.817 5.158 4.340 0.000 0.000 0.269 627 R C -0.858 175.563 176.300 0.203 0.000 1.037 627 R CA -0.191 55.986 56.100 0.128 0.000 0.894 627 R CB 1.494 31.854 30.300 0.100 0.000 1.238 627 R HN 0.523 nan 8.270 nan 0.000 0.459 628 A N 1.941 124.857 122.820 0.161 0.000 2.115 628 A HA 0.116 4.436 4.320 0.000 0.000 0.211 628 A C 0.569 178.264 177.584 0.187 0.000 1.169 628 A CA 0.061 52.206 52.037 0.180 0.000 0.787 628 A CB -0.159 18.906 19.000 0.108 0.000 0.858 628 A HN 0.794 nan 8.150 nan 0.000 0.474 629 Q N 0.000 119.856 119.800 0.094 0.000 2.315 629 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 629 Q CA 0.000 55.805 55.803 0.003 0.000 1.022 629 Q CB 0.000 28.723 28.738 -0.025 0.000 1.108 629 Q HN 0.000 nan 8.270 nan 0.000 0.481