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 3kvy_1_A DATA FIRST_RESID 16 DATA SEQUENCE DLVQLCNPHI AAMKEDILYH FSLSTSTHDF PAMFGDVKFV CVGGSPSRMK DATA SEQUENCE AFIKYVAMEL GFAXXXADYP NICEGTDRYA MFKVGPVLSV SHGMGVPSIA DATA SEQUENCE IMLHELIKLL YHAHCSGVTL IRIGTSGGIG LEPGSVVITR QAVDPCFKPE DATA SEQUENCE FEQIVLGKRE VRNTDLDEQL VQELARCSAE LGEFPTVVGN TMCTLDFYEG DATA SEQUENCE QGRLDGALCS YTEKDKQDYL RAAYAAGIRN IEMEASVFAA MCNACGLRAA DATA SEQUENCE VVCVTLLNRL EGDQISSPHD VLAEYQQRPQ RLVGQFIKKR LMQ 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 16 D HA 0.000 nan 4.640 nan 0.000 0.175 16 D C 0.000 176.301 176.300 0.002 0.000 2.045 16 D CA 0.000 54.002 54.000 0.004 0.000 0.868 16 D CB 0.000 40.799 40.800 -0.001 0.000 0.688 17 L N 1.230 122.461 121.223 0.012 0.000 2.395 17 L HA 0.360 4.700 4.340 -0.000 0.000 0.269 17 L C 0.363 177.232 176.870 -0.002 0.000 1.133 17 L CA -0.408 54.440 54.840 0.013 0.000 0.812 17 L CB 1.124 43.205 42.059 0.038 0.000 1.125 17 L HN 0.252 nan 8.230 nan 0.000 0.452 18 V N 3.443 123.350 119.914 -0.012 0.000 2.673 18 V HA 0.079 4.199 4.120 -0.000 0.000 0.303 18 V C 0.313 176.408 176.094 0.001 0.000 1.046 18 V CA -0.138 62.150 62.300 -0.020 0.000 1.126 18 V CB 0.434 32.241 31.823 -0.028 0.000 0.934 18 V HN 0.724 nan 8.190 nan 0.000 0.487 19 Q N 3.809 123.582 119.800 -0.045 0.000 2.394 19 Q HA 0.662 5.002 4.340 -0.000 0.000 0.273 19 Q C -1.173 174.732 176.000 -0.159 0.000 1.089 19 Q CA -0.809 54.940 55.803 -0.089 0.000 0.812 19 Q CB 2.723 31.420 28.738 -0.070 0.000 1.353 19 Q HN 0.584 nan 8.270 nan 0.000 0.438 20 L N -0.068 120.994 121.223 -0.267 0.000 2.358 20 L HA 0.502 4.842 4.340 -0.000 0.000 0.268 20 L C -0.256 176.509 176.870 -0.175 0.000 1.032 20 L CA -0.878 53.813 54.840 -0.249 0.000 0.805 20 L CB 1.376 43.209 42.059 -0.377 0.000 1.253 20 L HN 0.729 nan 8.230 nan 0.000 0.452 21 C N 1.181 120.410 119.300 -0.119 0.000 2.429 21 C HA 0.339 4.799 4.460 -0.000 0.000 0.310 21 C C 0.253 175.208 174.990 -0.058 0.000 1.446 21 C CA -0.406 58.563 59.018 -0.081 0.000 1.747 21 C CB -1.771 25.936 27.740 -0.054 0.000 2.865 21 C HN 0.653 nan 8.230 nan 0.000 0.554 22 N N 1.379 120.028 118.700 -0.084 0.000 2.571 22 N HA 0.265 5.005 4.740 -0.000 0.000 0.286 22 N C -1.632 173.827 175.510 -0.085 0.000 1.138 22 N CA -1.194 51.834 53.050 -0.037 0.000 0.859 22 N CB 1.916 40.415 38.487 0.020 0.000 1.414 22 N HN 0.025 nan 8.380 nan 0.000 0.529 23 P HA -0.033 nan 4.420 nan 0.000 0.226 23 P C 0.388 177.585 177.300 -0.170 0.000 1.153 23 P CA 0.990 63.981 63.100 -0.182 0.000 0.777 23 P CB 0.391 31.943 31.700 -0.247 0.000 0.794 24 H N -0.558 118.504 119.070 -0.013 0.000 2.462 24 H HA 0.006 4.562 4.556 -0.000 0.000 0.292 24 H C 2.063 177.409 175.328 0.029 0.000 1.049 24 H CA 0.521 56.574 56.048 0.009 0.000 1.334 24 H CB -0.239 29.528 29.762 0.008 0.000 1.404 24 H HN 0.031 nan 8.280 nan 0.000 0.544 25 I N 0.768 121.409 120.570 0.118 0.000 2.226 25 I HA -0.208 3.962 4.170 -0.000 0.000 0.245 25 I C 2.602 178.820 176.117 0.169 0.000 1.100 25 I CA 1.210 62.587 61.300 0.127 0.000 1.374 25 I CB -1.370 36.654 38.000 0.040 0.000 1.057 25 I HN 0.291 nan 8.210 nan 0.000 0.413 26 A N 0.940 123.833 122.820 0.121 0.000 1.940 26 A HA -0.116 4.204 4.320 -0.000 0.000 0.219 26 A C 2.331 180.005 177.584 0.150 0.000 1.176 26 A CA 1.970 54.108 52.037 0.168 0.000 0.631 26 A CB -0.680 18.390 19.000 0.117 0.000 0.814 26 A HN 0.432 nan 8.150 nan 0.000 0.446 27 A N -1.329 121.560 122.820 0.115 0.000 2.251 27 A HA 0.454 4.774 4.320 -0.000 0.000 0.209 27 A C 0.915 178.563 177.584 0.106 0.000 1.187 27 A CA -0.147 51.950 52.037 0.100 0.000 0.823 27 A CB -0.418 18.630 19.000 0.079 0.000 0.846 27 A HN 0.538 nan 8.150 nan 0.000 0.486 28 M N -0.069 119.609 119.600 0.131 0.000 2.211 28 M HA 0.192 4.672 4.480 -0.000 0.000 0.356 28 M C 0.960 177.325 176.300 0.108 0.000 1.216 28 M CA -0.139 55.232 55.300 0.119 0.000 1.134 28 M CB 1.185 33.869 32.600 0.141 0.000 1.564 28 M HN 0.135 nan 8.290 nan 0.000 0.463 29 K N 1.424 121.872 120.400 0.080 0.000 2.057 29 K HA -0.107 4.213 4.320 -0.000 0.000 0.206 29 K C 0.138 176.774 176.600 0.059 0.000 1.050 29 K CA 1.255 57.580 56.287 0.062 0.000 0.935 29 K CB 0.155 32.682 32.500 0.045 0.000 0.715 29 K HN 0.731 nan 8.250 nan 0.000 0.439 30 E N 0.295 120.535 120.200 0.066 0.000 2.383 30 E HA 0.251 4.601 4.350 -0.000 0.000 0.275 30 E C -1.677 174.981 176.600 0.097 0.000 0.918 30 E CA -0.962 55.474 56.400 0.062 0.000 0.764 30 E CB 1.850 31.576 29.700 0.043 0.000 1.252 30 E HN -0.231 nan 8.360 nan 0.000 0.449 31 D N 2.243 122.709 120.400 0.111 0.000 2.440 31 D HA 0.347 4.987 4.640 -0.000 0.000 0.239 31 D C -1.165 175.257 176.300 0.203 0.000 1.084 31 D CA -0.524 53.587 54.000 0.185 0.000 0.843 31 D CB 1.050 42.030 40.800 0.300 0.000 1.097 31 D HN 0.503 nan 8.370 nan 0.000 0.531 32 I N 4.421 125.101 120.570 0.183 0.000 2.304 32 I HA 0.180 4.350 4.170 -0.000 0.000 0.291 32 I C 0.208 176.464 176.117 0.232 0.000 1.018 32 I CA -0.560 60.861 61.300 0.202 0.000 1.260 32 I CB 1.095 39.190 38.000 0.159 0.000 1.390 32 I HN 0.263 nan 8.210 nan 0.000 0.475 33 L N 7.508 128.898 121.223 0.279 0.000 2.422 33 L HA 0.102 4.442 4.340 -0.000 0.000 0.256 33 L C 1.003 178.003 176.870 0.216 0.000 1.202 33 L CA -0.318 54.679 54.840 0.261 0.000 1.119 33 L CB -0.502 41.771 42.059 0.357 0.000 1.383 33 L HN 0.660 nan 8.230 nan 0.000 0.411 34 Y N 1.881 122.198 120.300 0.029 0.000 2.151 34 Y HA -0.312 4.238 4.550 -0.000 0.000 0.284 34 Y C 2.071 177.876 175.900 -0.159 0.000 1.166 34 Y CA 2.036 60.076 58.100 -0.099 0.000 1.163 34 Y CB -0.118 38.195 38.460 -0.246 0.000 0.974 34 Y HN 0.549 nan 8.280 nan 0.000 0.511 35 H N -2.084 116.914 119.070 -0.120 0.000 2.551 35 H HA 0.076 4.632 4.556 -0.000 0.000 0.266 35 H C 1.394 176.696 175.328 -0.043 0.000 0.977 35 H CA 1.179 57.107 56.048 -0.200 0.000 1.163 35 H CB -0.342 29.397 29.762 -0.038 0.000 1.381 35 H HN 0.408 nan 8.280 nan 0.000 0.581 36 F N -0.901 119.129 119.950 0.133 0.000 2.746 36 F HA 0.066 4.593 4.527 -0.000 0.000 0.297 36 F C 1.193 176.997 175.800 0.007 0.000 1.113 36 F CA -0.015 58.039 58.000 0.089 0.000 1.367 36 F CB 0.607 39.643 39.000 0.060 0.000 1.111 36 F HN -0.052 nan 8.300 nan 0.000 0.590 37 S N 1.366 117.145 115.700 0.131 0.000 3.682 37 S HA -0.172 4.298 4.470 -0.000 0.000 0.354 37 S C -0.481 174.191 174.600 0.120 0.000 1.034 37 S CA -0.016 58.232 58.200 0.080 0.000 1.084 37 S CB -1.439 61.790 63.200 0.047 0.000 0.903 37 S HN 0.143 nan 8.310 nan 0.000 0.470 38 L N 1.215 122.541 121.223 0.171 0.000 2.354 38 L HA 0.895 5.235 4.340 -0.000 0.000 0.269 38 L C 0.115 177.174 176.870 0.315 0.000 1.005 38 L CA -0.131 54.774 54.840 0.107 0.000 0.819 38 L CB 1.818 43.986 42.059 0.183 0.000 1.311 38 L HN 0.316 nan 8.230 nan 0.000 0.423 39 S N -1.130 114.782 115.700 0.354 0.000 2.541 39 S HA 0.390 4.860 4.470 -0.000 0.000 0.271 39 S C 0.823 175.424 174.600 0.002 0.000 1.133 39 S CA 0.184 58.541 58.200 0.261 0.000 0.876 39 S CB 1.325 64.639 63.200 0.191 0.000 1.105 39 S HN 0.827 nan 8.310 nan 0.000 0.470 40 T N 0.842 115.371 114.554 -0.042 0.000 2.849 40 T HA -0.105 4.245 4.350 -0.000 0.000 0.270 40 T C 1.671 176.244 174.700 -0.213 0.000 1.066 40 T CA 1.815 63.740 62.100 -0.291 0.000 1.130 40 T CB -0.631 68.132 68.868 -0.175 0.000 0.864 40 T HN 0.783 nan 8.240 nan 0.000 0.481 41 S N 1.021 116.666 115.700 -0.092 0.000 2.524 41 S HA 0.053 4.523 4.470 -0.000 0.000 0.216 41 S C 1.878 176.425 174.600 -0.088 0.000 0.987 41 S CA 0.458 58.614 58.200 -0.073 0.000 0.909 41 S CB -0.422 62.761 63.200 -0.027 0.000 0.781 41 S HN 0.749 nan 8.310 nan 0.000 0.521 42 T N -2.163 112.341 114.554 -0.083 0.000 3.010 42 T HA 0.380 4.730 4.350 -0.000 0.000 0.257 42 T C -0.089 174.360 174.700 -0.417 0.000 1.020 42 T CA -0.219 61.781 62.100 -0.167 0.000 0.938 42 T CB -0.163 68.667 68.868 -0.063 0.000 1.049 42 T HN 0.469 nan 8.240 nan 0.000 0.522 43 H N 0.372 119.294 119.070 -0.246 0.000 2.894 43 H HA 0.569 5.125 4.556 -0.000 0.000 0.367 43 H C -1.610 173.428 175.328 -0.484 0.000 1.144 43 H CA -0.829 55.034 56.048 -0.310 0.000 1.180 43 H CB 1.679 31.289 29.762 -0.255 0.000 1.758 43 H HN -0.022 nan 8.280 nan 0.000 0.541 44 D N 2.940 123.229 120.400 -0.184 0.000 2.456 44 D HA 0.093 4.733 4.640 -0.000 0.000 0.219 44 D C 0.336 176.623 176.300 -0.021 0.000 1.126 44 D CA -0.029 53.882 54.000 -0.147 0.000 0.890 44 D CB 0.003 40.752 40.800 -0.085 0.000 1.025 44 D HN 0.491 nan 8.370 nan 0.000 0.511 45 F N 2.641 122.669 119.950 0.129 0.000 2.113 45 F HA -0.047 4.480 4.527 -0.000 0.000 0.297 45 F C -0.442 175.466 175.800 0.180 0.000 1.103 45 F CA 0.278 58.425 58.000 0.245 0.000 1.248 45 F CB -0.875 38.321 39.000 0.327 0.000 0.999 45 F HN 0.346 nan 8.300 nan 0.000 0.475 46 P HA -0.210 nan 4.420 nan 0.000 0.215 46 P C 1.346 178.702 177.300 0.093 0.000 1.153 46 P CA 2.177 65.382 63.100 0.176 0.000 0.853 46 P CB -0.175 31.582 31.700 0.096 0.000 0.788 47 A N -1.400 121.443 122.820 0.038 0.000 1.930 47 A HA -0.141 4.179 4.320 -0.000 0.000 0.217 47 A C 2.147 179.681 177.584 -0.084 0.000 1.175 47 A CA 1.658 53.684 52.037 -0.018 0.000 0.627 47 A CB -1.291 17.688 19.000 -0.035 0.000 0.815 47 A HN 0.118 nan 8.150 nan 0.000 0.443 48 M N -2.352 117.141 119.600 -0.179 0.000 2.193 48 M HA 0.096 4.576 4.480 -0.000 0.000 0.265 48 M C 0.967 176.903 176.300 -0.607 0.000 1.071 48 M CA 1.426 56.404 55.300 -0.538 0.000 1.140 48 M CB -0.030 31.983 32.600 -0.977 0.000 1.369 48 M HN 0.473 nan 8.290 nan 0.000 0.423 49 F N -2.010 118.002 119.950 0.103 0.000 2.817 49 F HA 0.359 4.886 4.527 -0.000 0.000 0.333 49 F C 2.076 177.907 175.800 0.052 0.000 1.085 49 F CA -0.284 57.752 58.000 0.061 0.000 1.170 49 F CB -0.506 38.515 39.000 0.036 0.000 1.066 49 F HN 0.068 nan 8.300 nan 0.000 0.564 50 G N 1.162 110.078 108.800 0.193 0.000 2.545 50 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.222 50 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.222 50 G C 1.208 176.168 174.900 0.100 0.000 1.126 50 G CA 1.725 46.908 45.100 0.138 0.000 0.754 50 G HN 0.449 nan 8.290 nan 0.000 0.583 51 D N 0.001 120.455 120.400 0.090 0.000 2.328 51 D HA 0.083 4.723 4.640 -0.000 0.000 0.221 51 D C 0.711 177.049 176.300 0.063 0.000 1.072 51 D CA -0.374 53.666 54.000 0.066 0.000 0.850 51 D CB -0.349 40.489 40.800 0.063 0.000 0.922 51 D HN 0.131 nan 8.370 nan 0.000 0.516 52 V N 1.253 121.219 119.914 0.086 0.000 2.585 52 V HA 0.043 4.163 4.120 -0.000 0.000 0.296 52 V C 1.209 177.284 176.094 -0.032 0.000 1.035 52 V CA 0.272 62.613 62.300 0.068 0.000 1.084 52 V CB 1.401 33.289 31.823 0.108 0.000 0.953 52 V HN 0.088 nan 8.190 nan 0.000 0.483 53 K N 3.519 123.841 120.400 -0.129 0.000 2.511 53 K HA 0.290 4.610 4.320 -0.000 0.000 0.206 53 K C -0.324 175.911 176.600 -0.610 0.000 1.333 53 K CA 0.520 56.541 56.287 -0.443 0.000 0.957 53 K CB 0.801 32.866 32.500 -0.725 0.000 1.172 53 K HN 0.532 nan 8.250 nan 0.000 0.547 54 F N 1.385 121.408 119.950 0.122 0.000 2.499 54 F HA 0.343 4.870 4.527 -0.000 0.000 0.333 54 F C -0.169 175.719 175.800 0.147 0.000 1.138 54 F CA -1.165 56.932 58.000 0.163 0.000 0.945 54 F CB 1.832 40.956 39.000 0.206 0.000 1.181 54 F HN -0.441 nan 8.300 nan 0.000 0.435 55 V N 2.773 122.848 119.914 0.269 0.000 2.357 55 V HA 0.380 4.500 4.120 -0.000 0.000 0.284 55 V C -0.485 175.718 176.094 0.182 0.000 1.018 55 V CA -0.731 61.680 62.300 0.186 0.000 0.841 55 V CB 1.243 33.123 31.823 0.095 0.000 0.991 55 V HN 0.871 nan 8.190 nan 0.000 0.437 56 C N 5.364 124.761 119.300 0.162 0.000 2.345 56 C HA 0.814 5.274 4.460 -0.000 0.000 0.323 56 C C 0.163 175.138 174.990 -0.024 0.000 1.276 56 C CA -0.789 58.247 59.018 0.030 0.000 1.543 56 C CB 0.930 28.630 27.740 -0.066 0.000 2.211 56 C HN 0.807 nan 8.230 nan 0.000 0.493 57 V N 1.384 121.255 119.914 -0.070 0.000 2.735 57 V HA 1.093 5.213 4.120 -0.000 0.000 0.310 57 V C -0.183 175.807 176.094 -0.173 0.000 1.061 57 V CA -0.048 62.224 62.300 -0.047 0.000 0.913 57 V CB 1.472 33.365 31.823 0.116 0.000 1.005 57 V HN 1.190 nan 8.190 nan 0.000 0.428 58 G N 1.458 110.037 108.800 -0.368 0.000 2.677 58 G HA2 0.581 4.541 3.960 -0.000 0.000 0.291 58 G HA3 0.581 4.541 3.960 -0.000 0.000 0.291 58 G C 0.416 174.742 174.900 -0.955 0.000 1.435 58 G CA -0.052 44.707 45.100 -0.569 0.000 0.826 58 G HN 1.222 nan 8.290 nan 0.000 0.491 59 G N -0.329 108.057 108.800 -0.690 0.000 2.421 59 G HA2 0.128 4.088 3.960 -0.000 0.000 0.216 59 G HA3 0.128 4.088 3.960 -0.000 0.000 0.216 59 G C 1.058 175.868 174.900 -0.149 0.000 1.171 59 G CA 1.612 46.493 45.100 -0.364 0.000 0.775 59 G HN 1.170 nan 8.290 nan 0.000 0.543 60 S N 0.646 116.283 115.700 -0.105 0.000 2.457 60 S HA 0.479 4.949 4.470 -0.000 0.000 0.289 60 S C -1.323 173.291 174.600 0.023 0.000 1.163 60 S CA -1.465 56.722 58.200 -0.022 0.000 1.078 60 S CB 1.927 65.115 63.200 -0.020 0.000 0.987 60 S HN -0.069 nan 8.310 nan 0.000 0.482 61 P HA -0.042 nan 4.420 nan 0.000 0.217 61 P C 1.454 178.849 177.300 0.159 0.000 1.150 61 P CA 0.899 64.097 63.100 0.164 0.000 0.832 61 P CB 0.103 31.898 31.700 0.158 0.000 0.787 62 S N -0.759 114.990 115.700 0.083 0.000 2.356 62 S HA -0.139 4.331 4.470 -0.000 0.000 0.223 62 S C 1.972 176.576 174.600 0.008 0.000 1.032 62 S CA 1.130 59.353 58.200 0.038 0.000 1.005 62 S CB -0.511 62.706 63.200 0.028 0.000 0.867 62 S HN 0.037 nan 8.310 nan 0.000 0.449 63 R N 0.864 121.369 120.500 0.008 0.000 2.081 63 R HA 0.125 4.465 4.340 -0.000 0.000 0.235 63 R C 2.073 178.389 176.300 0.027 0.000 1.131 63 R CA 0.997 57.093 56.100 -0.007 0.000 0.960 63 R CB -0.857 29.420 30.300 -0.038 0.000 0.856 63 R HN 0.405 nan 8.270 nan 0.000 0.436 64 M N 0.462 120.097 119.600 0.059 0.000 2.296 64 M HA -0.043 4.437 4.480 -0.000 0.000 0.265 64 M C 1.990 178.346 176.300 0.093 0.000 1.064 64 M CA 1.194 56.583 55.300 0.148 0.000 1.109 64 M CB -0.719 32.003 32.600 0.203 0.000 1.396 64 M HN 0.049 nan 8.290 nan 0.000 0.430 65 K N 0.488 120.807 120.400 -0.135 0.000 2.031 65 K HA -0.017 4.303 4.320 -0.000 0.000 0.205 65 K C 2.037 178.413 176.600 -0.374 0.000 1.049 65 K CA 1.317 57.212 56.287 -0.653 0.000 0.939 65 K CB -0.011 32.084 32.500 -0.675 0.000 0.717 65 K HN 0.186 nan 8.250 nan 0.000 0.438 66 A N 0.818 123.535 122.820 -0.170 0.000 1.908 66 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 66 A C 2.030 179.585 177.584 -0.048 0.000 1.181 66 A CA 1.529 53.500 52.037 -0.109 0.000 0.627 66 A CB -0.904 18.068 19.000 -0.047 0.000 0.818 66 A HN 0.556 nan 8.150 nan 0.000 0.445 67 F N -0.061 119.823 119.950 -0.111 0.000 2.095 67 F HA -0.198 4.329 4.527 -0.000 0.000 0.298 67 F C 1.893 177.677 175.800 -0.027 0.000 1.104 67 F CA 1.942 59.922 58.000 -0.033 0.000 1.232 67 F CB -0.170 38.818 39.000 -0.021 0.000 0.987 67 F HN 0.214 nan 8.300 nan 0.000 0.475 68 I N 0.914 121.349 120.570 -0.224 0.000 2.361 68 I HA -0.256 3.914 4.170 -0.000 0.000 0.251 68 I C 2.169 177.986 176.117 -0.501 0.000 1.133 68 I CA 1.575 62.664 61.300 -0.352 0.000 1.413 68 I CB -0.604 37.305 38.000 -0.153 0.000 1.073 68 I HN 0.101 nan 8.210 nan 0.000 0.424 69 K N -0.977 119.074 120.400 -0.582 0.000 2.025 69 K HA -0.233 4.087 4.320 -0.000 0.000 0.207 69 K C 2.241 178.656 176.600 -0.308 0.000 1.049 69 K CA 1.833 57.734 56.287 -0.644 0.000 0.933 69 K CB -0.543 31.634 32.500 -0.539 0.000 0.714 69 K HN 0.341 nan 8.250 nan 0.000 0.438 70 Y N 1.654 121.764 120.300 -0.317 0.000 2.114 70 Y HA -0.287 4.263 4.550 -0.000 0.000 0.282 70 Y C 1.996 177.748 175.900 -0.246 0.000 1.165 70 Y CA 1.264 59.230 58.100 -0.224 0.000 1.148 70 Y CB -0.428 37.931 38.460 -0.170 0.000 0.972 70 Y HN -0.231 nan 8.280 nan 0.000 0.504 71 V N 0.474 120.116 119.914 -0.453 0.000 2.343 71 V HA -0.327 3.793 4.120 -0.000 0.000 0.247 71 V C 2.691 178.618 176.094 -0.278 0.000 1.051 71 V CA 1.762 63.781 62.300 -0.468 0.000 1.036 71 V CB -1.480 30.005 31.823 -0.564 0.000 0.654 71 V HN 0.616 nan 8.190 nan 0.000 0.451 72 A N -0.418 122.281 122.820 -0.202 0.000 1.883 72 A HA -0.298 4.022 4.320 -0.000 0.000 0.217 72 A C 2.222 179.840 177.584 0.057 0.000 1.186 72 A CA 2.505 54.554 52.037 0.020 0.000 0.624 72 A CB -0.511 18.568 19.000 0.131 0.000 0.822 72 A HN 0.520 nan 8.150 nan 0.000 0.444 73 M N -0.925 118.628 119.600 -0.078 0.000 2.117 73 M HA -0.138 4.342 4.480 -0.000 0.000 0.262 73 M C 1.820 178.037 176.300 -0.138 0.000 1.065 73 M CA 1.383 56.630 55.300 -0.089 0.000 1.114 73 M CB -0.491 32.034 32.600 -0.126 0.000 1.361 73 M HN 0.303 nan 8.290 nan 0.000 0.408 74 E N 0.386 120.422 120.200 -0.274 0.000 2.347 74 E HA -0.014 4.336 4.350 -0.000 0.000 0.196 74 E C 1.619 178.151 176.600 -0.113 0.000 1.008 74 E CA 0.887 57.133 56.400 -0.257 0.000 0.852 74 E CB 0.046 29.483 29.700 -0.438 0.000 0.783 74 E HN 0.570 nan 8.360 nan 0.000 0.505 75 L N -0.846 120.364 121.223 -0.022 0.000 2.766 75 L HA 0.293 4.633 4.340 -0.000 0.000 0.242 75 L C 0.797 177.663 176.870 -0.006 0.000 1.136 75 L CA 0.058 54.937 54.840 0.066 0.000 0.933 75 L CB 0.345 42.564 42.059 0.267 0.000 1.241 75 L HN 0.010 nan 8.230 nan 0.000 0.522 76 G N 0.587 109.374 108.800 -0.022 0.000 2.351 76 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.297 76 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.297 76 G C 0.022 174.788 174.900 -0.223 0.000 1.054 76 G CA 0.187 45.223 45.100 -0.106 0.000 1.123 76 G HN 0.332 nan 8.290 nan 0.000 0.512 77 F N 0.301 120.246 119.950 -0.008 0.000 2.740 77 F HA 0.559 5.086 4.527 -0.000 0.000 0.304 77 F C 2.122 177.939 175.800 0.028 0.000 1.098 77 F CA 0.447 58.456 58.000 0.015 0.000 1.258 77 F CB 0.032 39.056 39.000 0.040 0.000 1.061 77 F HN 0.547 nan 8.300 nan 0.000 0.598 83 D N -0.159 120.015 120.400 -0.378 0.000 2.192 83 D HA 0.627 5.267 4.640 -0.000 0.000 0.246 83 D C -1.032 174.983 176.300 -0.475 0.000 1.042 83 D CA 0.030 53.874 54.000 -0.259 0.000 0.847 83 D CB 0.616 41.352 40.800 -0.108 0.000 1.186 83 D HN 0.247 nan 8.370 nan 0.000 0.461 84 Y N 3.124 123.453 120.300 0.047 0.000 2.863 84 Y HA 0.344 4.894 4.550 -0.000 0.000 0.348 84 Y C -2.005 174.017 175.900 0.205 0.000 1.028 84 Y CA -2.147 56.002 58.100 0.081 0.000 1.213 84 Y CB 1.164 39.613 38.460 -0.018 0.000 1.120 84 Y HN 0.214 nan 8.280 nan 0.000 0.598 85 P HA 0.006 nan 4.420 nan 0.000 0.271 85 P C -0.134 177.353 177.300 0.311 0.000 1.216 85 P CA -0.262 62.985 63.100 0.246 0.000 0.771 85 P CB 0.722 32.499 31.700 0.128 0.000 0.864 86 N N 2.914 121.761 118.700 0.245 0.000 2.416 86 N HA 0.032 4.772 4.740 -0.000 0.000 0.265 86 N C 0.849 176.321 175.510 -0.064 0.000 1.195 86 N CA 0.255 53.272 53.050 -0.054 0.000 0.943 86 N CB -0.259 38.238 38.487 0.016 0.000 1.115 86 N HN 0.314 nan 8.380 nan 0.000 0.481 87 I N 1.624 122.116 120.570 -0.130 0.000 2.756 87 I HA -0.188 3.982 4.170 -0.000 0.000 0.262 87 I C 1.033 177.130 176.117 -0.033 0.000 1.225 87 I CA 0.598 61.878 61.300 -0.034 0.000 1.472 87 I CB 0.046 38.046 38.000 0.001 0.000 1.094 87 I HN 0.528 nan 8.210 nan 0.000 0.454 88 C N 1.510 120.761 119.300 -0.081 0.000 2.435 88 C HA 0.159 4.619 4.460 -0.000 0.000 0.326 88 C C 0.895 175.898 174.990 0.020 0.000 1.328 88 C CA -0.775 58.237 59.018 -0.010 0.000 1.741 88 C CB -1.789 25.965 27.740 0.024 0.000 1.998 88 C HN 0.261 nan 8.230 nan 0.000 0.585 89 E N 0.523 120.738 120.200 0.026 0.000 2.481 89 E HA 0.260 4.610 4.350 -0.000 0.000 0.263 89 E C 1.270 177.902 176.600 0.054 0.000 0.992 89 E CA 1.497 57.925 56.400 0.045 0.000 0.938 89 E CB 0.359 30.093 29.700 0.057 0.000 0.933 89 E HN 0.651 nan 8.360 nan 0.000 0.453 90 G N 2.120 110.946 108.800 0.044 0.000 2.259 90 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.217 90 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.217 90 G C 0.555 175.462 174.900 0.011 0.000 1.001 90 G CA 0.371 45.494 45.100 0.039 0.000 0.627 90 G HN 0.718 nan 8.290 nan 0.000 0.501 91 T N 0.105 114.665 114.554 0.010 0.000 2.887 91 T HA 0.543 4.893 4.350 -0.000 0.000 0.292 91 T C -0.535 174.161 174.700 -0.007 0.000 1.087 91 T CA 0.606 62.692 62.100 -0.023 0.000 1.009 91 T CB 1.770 70.611 68.868 -0.045 0.000 1.203 91 T HN 0.341 nan 8.240 nan 0.000 0.518 92 D N 0.750 121.131 120.400 -0.033 0.000 2.535 92 D HA 0.186 4.826 4.640 -0.000 0.000 0.229 92 D C 1.347 177.601 176.300 -0.076 0.000 1.238 92 D CA -0.334 53.651 54.000 -0.025 0.000 0.824 92 D CB 0.225 41.017 40.800 -0.012 0.000 1.045 92 D HN 0.201 nan 8.370 nan 0.000 0.500 93 R N -0.044 120.370 120.500 -0.143 0.000 2.062 93 R HA 0.079 4.419 4.340 -0.000 0.000 0.229 93 R C 0.075 176.050 176.300 -0.542 0.000 1.128 93 R CA 0.994 56.865 56.100 -0.381 0.000 0.960 93 R CB -0.382 29.644 30.300 -0.457 0.000 0.855 93 R HN 0.321 nan 8.270 nan 0.000 0.432 94 Y N -1.544 118.818 120.300 0.103 0.000 2.581 94 Y HA 0.615 5.165 4.550 -0.000 0.000 0.345 94 Y C -0.235 175.707 175.900 0.071 0.000 1.036 94 Y CA -1.306 56.870 58.100 0.127 0.000 1.042 94 Y CB 1.808 40.422 38.460 0.257 0.000 1.289 94 Y HN -0.034 nan 8.280 nan 0.000 0.471 95 A N 2.662 125.591 122.820 0.181 0.000 2.330 95 A HA 0.913 5.233 4.320 -0.000 0.000 0.329 95 A C -1.094 176.331 177.584 -0.266 0.000 1.135 95 A CA -0.792 51.202 52.037 -0.073 0.000 0.817 95 A CB 1.701 20.694 19.000 -0.011 0.000 1.269 95 A HN 0.803 nan 8.150 nan 0.000 0.469 96 M N 1.578 120.755 119.600 -0.706 0.000 2.322 96 M HA 0.648 5.128 4.480 -0.000 0.000 0.285 96 M C -2.366 173.445 176.300 -0.815 0.000 1.119 96 M CA -0.255 54.697 55.300 -0.580 0.000 0.953 96 M CB 1.256 33.635 32.600 -0.368 0.000 1.701 96 M HN 0.643 nan 8.290 nan 0.000 0.479 97 F N 2.739 122.739 119.950 0.083 0.000 2.576 97 F HA 0.660 5.187 4.527 0.000 0.000 0.313 97 F C -0.560 175.307 175.800 0.112 0.000 1.078 97 F CA -0.765 57.299 58.000 0.107 0.000 0.921 97 F CB 2.005 41.069 39.000 0.108 0.000 1.232 97 F HN 0.433 nan 8.300 nan 0.000 0.459 98 K N 1.838 122.408 120.400 0.282 0.000 2.482 98 K HA 0.808 5.128 4.320 -0.000 0.000 0.251 98 K C -2.262 174.400 176.600 0.103 0.000 0.936 98 K CA -0.599 55.795 56.287 0.179 0.000 0.791 98 K CB 2.336 34.933 32.500 0.162 0.000 1.213 98 K HN 0.568 nan 8.250 nan 0.000 0.428 99 V N 3.806 123.720 119.914 -0.000 0.000 2.567 99 V HA 0.464 4.584 4.120 -0.000 0.000 0.298 99 V C 0.658 176.519 176.094 -0.388 0.000 1.047 99 V CA 0.145 62.319 62.300 -0.210 0.000 0.880 99 V CB 0.837 32.523 31.823 -0.229 0.000 1.009 99 V HN 1.175 nan 8.190 nan 0.000 0.429 100 G N 7.337 115.870 108.800 -0.445 0.000 2.622 100 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.307 100 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.307 100 G C -1.253 173.630 174.900 -0.027 0.000 1.226 100 G CA 0.533 45.473 45.100 -0.267 0.000 0.997 100 G HN 0.643 nan 8.290 nan 0.000 0.551 101 P HA 0.332 nan 4.420 nan 0.000 0.257 101 P C 0.056 177.491 177.300 0.225 0.000 1.281 101 P CA 0.367 63.557 63.100 0.151 0.000 0.826 101 P CB 0.232 32.061 31.700 0.214 0.000 1.237 102 V N 1.633 121.653 119.914 0.176 0.000 2.398 102 V HA 0.309 4.429 4.120 -0.000 0.000 0.286 102 V C 0.033 176.240 176.094 0.189 0.000 1.026 102 V CA -0.819 61.620 62.300 0.230 0.000 0.868 102 V CB 1.830 33.746 31.823 0.155 0.000 0.982 102 V HN -0.078 nan 8.190 nan 0.000 0.443 103 L N 4.323 125.680 121.223 0.222 0.000 2.313 103 L HA 0.673 5.013 4.340 -0.000 0.000 0.283 103 L C 0.017 177.019 176.870 0.220 0.000 1.013 103 L CA 0.406 55.359 54.840 0.188 0.000 0.816 103 L CB 1.994 44.121 42.059 0.114 0.000 1.236 103 L HN 0.656 nan 8.230 nan 0.000 0.419 104 S N 4.004 119.855 115.700 0.252 0.000 2.474 104 S HA 0.818 5.288 4.470 -0.000 0.000 0.321 104 S C -1.104 173.617 174.600 0.203 0.000 1.080 104 S CA -0.482 57.902 58.200 0.306 0.000 1.106 104 S CB 0.673 64.159 63.200 0.476 0.000 0.984 104 S HN 0.409 nan 8.310 nan 0.000 0.464 105 V N 4.485 124.462 119.914 0.106 0.000 2.588 105 V HA 0.596 4.716 4.120 -0.000 0.000 0.304 105 V C 0.214 176.330 176.094 0.037 0.000 1.042 105 V CA -0.986 61.335 62.300 0.036 0.000 0.877 105 V CB 1.846 33.654 31.823 -0.024 0.000 0.996 105 V HN 0.924 nan 8.190 nan 0.000 0.425 106 S N 2.072 117.817 115.700 0.076 0.000 2.632 106 S HA 0.474 4.944 4.470 -0.000 0.000 0.271 106 S C 0.417 175.102 174.600 0.142 0.000 1.260 106 S CA -0.063 58.165 58.200 0.046 0.000 1.010 106 S CB 0.632 63.908 63.200 0.126 0.000 0.965 106 S HN 1.091 nan 8.310 nan 0.000 0.534 107 H N -0.416 118.756 119.070 0.170 0.000 3.540 107 H HA 0.416 4.972 4.556 -0.000 0.000 0.259 107 H C 0.926 176.429 175.328 0.292 0.000 1.197 107 H CA -0.546 55.600 56.048 0.164 0.000 1.136 107 H CB -0.458 29.302 29.762 -0.004 0.000 1.605 107 H HN 1.082 nan 8.280 nan 0.000 0.657 108 G N 2.264 111.298 108.800 0.390 0.000 2.601 108 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.252 108 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.252 108 G C -0.416 174.668 174.900 0.306 0.000 1.294 108 G CA 0.164 45.428 45.100 0.272 0.000 0.912 108 G HN 0.310 nan 8.290 nan 0.000 0.574 109 M N 0.950 120.655 119.600 0.175 0.000 2.311 109 M HA 0.596 5.076 4.480 -0.000 0.000 0.325 109 M C 0.414 176.770 176.300 0.094 0.000 1.061 109 M CA 0.433 55.812 55.300 0.132 0.000 0.957 109 M CB 1.690 34.337 32.600 0.078 0.000 1.646 109 M HN 2.525 nan 8.290 nan 0.000 0.434 110 G N 0.902 109.742 108.800 0.066 0.000 2.617 110 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.686 110 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.686 110 G C -0.041 174.867 174.900 0.013 0.000 1.214 110 G CA -0.838 44.293 45.100 0.051 0.000 0.796 110 G HN 0.526 nan 8.290 nan 0.000 0.654 111 V N 1.773 121.704 119.914 0.030 0.000 2.250 111 V HA -0.165 3.955 4.120 -0.000 0.000 0.250 111 V C 0.605 176.716 176.094 0.029 0.000 1.060 111 V CA 3.082 65.395 62.300 0.023 0.000 1.030 111 V CB -1.053 30.840 31.823 0.118 0.000 0.643 111 V HN 0.689 nan 8.190 nan 0.000 0.445 112 P HA -0.096 nan 4.420 nan 0.000 0.217 112 P C 2.056 179.382 177.300 0.044 0.000 1.151 112 P CA 1.737 64.873 63.100 0.060 0.000 0.828 112 P CB -0.089 31.648 31.700 0.061 0.000 0.788 113 S N -0.981 114.753 115.700 0.056 0.000 2.368 113 S HA -0.123 4.347 4.470 -0.000 0.000 0.225 113 S C 1.810 176.480 174.600 0.117 0.000 1.030 113 S CA 0.836 59.104 58.200 0.114 0.000 0.999 113 S CB -0.881 62.404 63.200 0.141 0.000 0.844 113 S HN 0.013 nan 8.310 nan 0.000 0.459 114 I N 0.711 121.271 120.570 -0.017 0.000 2.617 114 I HA 0.002 4.172 4.170 -0.000 0.000 0.256 114 I C 2.275 178.328 176.117 -0.107 0.000 1.167 114 I CA 0.948 62.169 61.300 -0.132 0.000 1.469 114 I CB -0.392 37.371 38.000 -0.395 0.000 1.098 114 I HN 0.380 nan 8.210 nan 0.000 0.436 115 A N 1.171 123.950 122.820 -0.069 0.000 1.898 115 A HA -0.174 4.146 4.320 -0.000 0.000 0.216 115 A C 2.183 179.791 177.584 0.040 0.000 1.181 115 A CA 1.495 53.502 52.037 -0.049 0.000 0.620 115 A CB -0.790 18.221 19.000 0.018 0.000 0.819 115 A HN 0.479 nan 8.150 nan 0.000 0.442 116 I N -0.838 119.749 120.570 0.028 0.000 2.163 116 I HA -0.296 3.874 4.170 -0.000 0.000 0.243 116 I C 2.770 178.811 176.117 -0.127 0.000 1.085 116 I CA 1.676 62.960 61.300 -0.027 0.000 1.347 116 I CB -0.285 37.620 38.000 -0.160 0.000 1.044 116 I HN 0.389 nan 8.210 nan 0.000 0.408 117 M N 0.733 120.182 119.600 -0.252 0.000 2.117 117 M HA -0.206 4.274 4.480 -0.000 0.000 0.262 117 M C 2.339 178.512 176.300 -0.212 0.000 1.065 117 M CA 2.022 57.016 55.300 -0.511 0.000 1.114 117 M CB -0.519 31.672 32.600 -0.681 0.000 1.361 117 M HN 0.214 nan 8.290 nan 0.000 0.408 118 L N -1.021 120.115 121.223 -0.144 0.000 2.017 118 L HA -0.271 4.069 4.340 -0.000 0.000 0.208 118 L C 2.657 179.450 176.870 -0.128 0.000 1.073 118 L CA 1.135 55.894 54.840 -0.135 0.000 0.745 118 L CB -1.199 40.736 42.059 -0.207 0.000 0.894 118 L HN 0.370 nan 8.230 nan 0.000 0.432 119 H N 0.392 119.403 119.070 -0.099 0.000 2.289 119 H HA -0.216 4.340 4.556 0.000 0.000 0.294 119 H C 2.205 177.501 175.328 -0.053 0.000 1.095 119 H CA 2.061 58.065 56.048 -0.073 0.000 1.256 119 H CB -0.044 29.684 29.762 -0.056 0.000 1.359 119 H HN 0.476 nan 8.280 nan 0.000 0.487 120 E N -0.060 120.174 120.200 0.056 0.000 2.152 120 E HA -0.104 4.246 4.350 -0.000 0.000 0.192 120 E C 2.312 179.023 176.600 0.186 0.000 0.983 120 E CA 0.320 56.749 56.400 0.048 0.000 0.818 120 E CB -0.018 29.546 29.700 -0.227 0.000 0.758 120 E HN 0.122 nan 8.360 nan 0.000 0.467 121 L N 1.135 122.470 121.223 0.188 0.000 2.056 121 L HA -0.107 4.233 4.340 -0.000 0.000 0.207 121 L C 2.003 178.844 176.870 -0.048 0.000 1.078 121 L CA 1.465 56.368 54.840 0.107 0.000 0.749 121 L CB -0.165 41.935 42.059 0.068 0.000 0.901 121 L HN 0.079 nan 8.230 nan 0.000 0.433 122 I N -0.671 119.868 120.570 -0.052 0.000 2.315 122 I HA -0.288 3.882 4.170 -0.000 0.000 0.248 122 I C 2.328 178.402 176.117 -0.071 0.000 1.117 122 I CA 1.201 62.450 61.300 -0.084 0.000 1.404 122 I CB -0.372 37.561 38.000 -0.113 0.000 1.071 122 I HN 0.259 nan 8.210 nan 0.000 0.419 123 K N 0.676 121.050 120.400 -0.043 0.000 2.097 123 K HA -0.150 4.170 4.320 -0.000 0.000 0.205 123 K C 2.177 178.723 176.600 -0.090 0.000 1.050 123 K CA 1.120 57.371 56.287 -0.060 0.000 0.938 123 K CB -0.231 32.289 32.500 0.033 0.000 0.718 123 K HN 0.304 nan 8.250 nan 0.000 0.442 124 L N 1.372 122.521 121.223 -0.124 0.000 2.042 124 L HA -0.197 4.143 4.340 -0.000 0.000 0.210 124 L C 2.046 178.745 176.870 -0.285 0.000 1.076 124 L CA 1.318 55.933 54.840 -0.375 0.000 0.749 124 L CB -0.138 41.582 42.059 -0.565 0.000 0.893 124 L HN 0.143 nan 8.230 nan 0.000 0.432 125 L N -1.350 119.752 121.223 -0.201 0.000 2.093 125 L HA -0.238 4.102 4.340 -0.000 0.000 0.208 125 L C 2.527 179.351 176.870 -0.076 0.000 1.085 125 L CA 1.462 56.229 54.840 -0.123 0.000 0.755 125 L CB -0.807 41.189 42.059 -0.104 0.000 0.904 125 L HN 0.373 nan 8.230 nan 0.000 0.435 126 Y N 0.062 120.230 120.300 -0.220 0.000 2.145 126 Y HA -0.291 4.259 4.550 -0.000 0.000 0.286 126 Y C 2.862 178.592 175.900 -0.283 0.000 1.145 126 Y CA 1.716 59.625 58.100 -0.318 0.000 1.148 126 Y CB -0.203 38.036 38.460 -0.368 0.000 0.981 126 Y HN 0.160 nan 8.280 nan 0.000 0.507 127 H N -0.087 118.851 119.070 -0.220 0.000 2.387 127 H HA -0.067 4.489 4.556 -0.000 0.000 0.299 127 H C 2.280 177.717 175.328 0.182 0.000 1.090 127 H CA 1.249 57.273 56.048 -0.039 0.000 1.332 127 H CB -0.692 29.236 29.762 0.276 0.000 1.386 127 H HN 0.533 nan 8.280 nan 0.000 0.516 128 A N 0.078 123.055 122.820 0.261 0.000 2.168 128 A HA -0.094 4.226 4.320 -0.000 0.000 0.215 128 A C 0.002 177.735 177.584 0.248 0.000 1.152 128 A CA 0.538 52.753 52.037 0.297 0.000 0.716 128 A CB -0.537 18.645 19.000 0.304 0.000 0.794 128 A HN 0.599 nan 8.150 nan 0.000 0.465 129 H N -2.095 116.949 119.070 -0.044 0.000 2.692 129 H HA -0.158 4.398 4.556 -0.000 0.000 0.316 129 H C 0.311 175.636 175.328 -0.004 0.000 1.176 129 H CA -0.011 56.001 56.048 -0.060 0.000 1.142 129 H CB -2.831 26.890 29.762 -0.068 0.000 1.475 129 H HN 0.540 nan 8.280 nan 0.000 0.423 130 C N 0.705 120.039 119.300 0.058 0.000 2.727 130 C HA 0.479 4.939 4.460 -0.000 0.000 0.401 130 C C 1.079 176.077 174.990 0.014 0.000 1.294 130 C CA 0.343 59.384 59.018 0.038 0.000 2.134 130 C CB 0.554 28.302 27.740 0.014 0.000 2.724 130 C HN 0.777 nan 8.230 nan 0.000 0.677 131 S N -0.073 115.628 115.700 0.001 0.000 2.546 131 S HA 0.668 5.138 4.470 -0.000 0.000 0.274 131 S C -0.070 174.507 174.600 -0.038 0.000 1.121 131 S CA 0.179 58.374 58.200 -0.009 0.000 0.887 131 S CB 1.363 64.569 63.200 0.010 0.000 1.094 131 S HN 2.382 nan 8.310 nan 0.000 0.474 132 G N 0.830 109.609 108.800 -0.036 0.000 2.338 132 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.296 132 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.296 132 G C -0.077 174.767 174.900 -0.094 0.000 1.040 132 G CA 0.155 45.225 45.100 -0.050 0.000 1.004 132 G HN 1.209 nan 8.290 nan 0.000 0.509 133 V N 0.068 119.937 119.914 -0.075 0.000 2.686 133 V HA 0.667 4.787 4.120 -0.000 0.000 0.295 133 V C 0.858 176.935 176.094 -0.027 0.000 1.057 133 V CA 0.109 62.355 62.300 -0.090 0.000 1.012 133 V CB 1.786 33.574 31.823 -0.058 0.000 1.006 133 V HN 0.404 nan 8.190 nan 0.000 0.477 134 T N 5.416 119.983 114.554 0.022 0.000 2.807 134 T HA 0.508 4.857 4.350 -0.000 0.000 0.279 134 T C -0.757 174.043 174.700 0.167 0.000 0.993 134 T CA -0.434 61.756 62.100 0.151 0.000 0.970 134 T CB 1.133 70.224 68.868 0.372 0.000 0.950 134 T HN 0.236 nan 8.240 nan 0.000 0.441 135 L N 4.492 125.791 121.223 0.127 0.000 2.287 135 L HA 0.600 4.940 4.340 -0.000 0.000 0.287 135 L C -0.632 176.402 176.870 0.273 0.000 1.022 135 L CA -0.445 54.500 54.840 0.176 0.000 0.814 135 L CB 1.057 43.162 42.059 0.077 0.000 1.217 135 L HN 0.673 nan 8.230 nan 0.000 0.420 136 I N 4.120 124.819 120.570 0.215 0.000 2.478 136 I HA 0.370 4.540 4.170 -0.000 0.000 0.287 136 I C 0.112 176.162 176.117 -0.113 0.000 1.042 136 I CA -0.685 60.655 61.300 0.067 0.000 1.067 136 I CB 2.391 40.365 38.000 -0.043 0.000 1.233 136 I HN 0.512 nan 8.210 nan 0.000 0.431 137 R N 7.750 128.006 120.500 -0.406 0.000 2.267 137 R HA 0.511 4.851 4.340 -0.000 0.000 0.319 137 R C -0.703 175.406 176.300 -0.318 0.000 1.067 137 R CA -0.346 55.457 56.100 -0.495 0.000 0.936 137 R CB 0.640 30.400 30.300 -0.899 0.000 1.006 137 R HN 0.732 nan 8.270 nan 0.000 0.452 138 I N 2.187 122.590 120.570 -0.277 0.000 2.354 138 I HA 0.676 4.846 4.170 -0.000 0.000 0.286 138 I C -0.124 175.870 176.117 -0.205 0.000 1.007 138 I CA -0.600 60.545 61.300 -0.257 0.000 1.167 138 I CB 1.778 39.572 38.000 -0.343 0.000 1.320 138 I HN 0.692 nan 8.210 nan 0.000 0.458 139 G N 4.030 112.734 108.800 -0.159 0.000 3.086 139 G HA2 0.789 4.749 3.960 -0.000 0.000 0.282 139 G HA3 0.789 4.749 3.960 -0.000 0.000 0.282 139 G C -0.831 174.017 174.900 -0.087 0.000 1.343 139 G CA -0.397 44.639 45.100 -0.106 0.000 0.895 139 G HN 0.723 nan 8.290 nan 0.000 0.557 140 T N -2.600 111.927 114.554 -0.046 0.000 2.907 140 T HA 0.831 5.181 4.350 -0.000 0.000 0.290 140 T C -0.153 174.543 174.700 -0.006 0.000 1.066 140 T CA 0.136 62.219 62.100 -0.027 0.000 1.012 140 T CB 1.660 70.528 68.868 0.001 0.000 1.184 140 T HN 1.882 nan 8.240 nan 0.000 0.522 141 S N -0.820 114.878 115.700 -0.004 0.000 2.636 141 S HA 0.736 5.206 4.470 -0.000 0.000 0.266 141 S C -0.376 174.214 174.600 -0.017 0.000 1.147 141 S CA -0.773 57.422 58.200 -0.008 0.000 0.815 141 S CB 0.845 64.024 63.200 -0.036 0.000 1.119 141 S HN 1.436 nan 8.310 nan 0.000 0.470 142 G N -0.391 108.382 108.800 -0.045 0.000 2.343 142 G HA2 0.613 4.573 3.960 -0.000 0.000 0.319 142 G HA3 0.613 4.573 3.960 -0.000 0.000 0.319 142 G C 0.237 175.105 174.900 -0.052 0.000 1.126 142 G CA -0.321 44.745 45.100 -0.057 0.000 0.889 142 G HN 1.029 nan 8.290 nan 0.000 0.457 143 G N 0.116 108.890 108.800 -0.043 0.000 2.476 143 G HA2 0.528 4.488 3.960 -0.000 0.000 0.286 143 G HA3 0.528 4.488 3.960 -0.000 0.000 0.286 143 G C -0.334 174.552 174.900 -0.023 0.000 1.177 143 G CA -0.659 44.420 45.100 -0.035 0.000 0.870 143 G HN 0.666 nan 8.290 nan 0.000 0.528 144 I N 1.072 121.646 120.570 0.008 0.000 2.411 144 I HA 0.415 4.585 4.170 -0.000 0.000 0.284 144 I C 0.961 177.131 176.117 0.088 0.000 1.012 144 I CA -0.223 61.098 61.300 0.035 0.000 1.119 144 I CB 1.628 39.671 38.000 0.070 0.000 1.261 144 I HN 0.870 nan 8.210 nan 0.000 0.448 145 G N 5.457 114.233 108.800 -0.041 0.000 2.160 145 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.251 145 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.251 145 G C -0.265 174.634 174.900 -0.002 0.000 1.008 145 G CA -0.040 44.992 45.100 -0.113 0.000 0.724 145 G HN 0.492 nan 8.290 nan 0.000 0.514 146 L N -0.667 120.559 121.223 0.005 0.000 2.341 146 L HA 0.552 4.892 4.340 -0.000 0.000 0.267 146 L C 0.649 177.505 176.870 -0.024 0.000 1.009 146 L CA -1.111 53.729 54.840 0.000 0.000 0.819 146 L CB 1.808 43.866 42.059 -0.001 0.000 1.323 146 L HN 0.210 nan 8.230 nan 0.000 0.425 147 E N 2.479 122.663 120.200 -0.028 0.000 2.415 147 E HA 0.092 4.442 4.350 -0.000 0.000 0.263 147 E C -2.249 174.306 176.600 -0.074 0.000 0.995 147 E CA -1.498 54.881 56.400 -0.035 0.000 0.915 147 E CB 0.797 30.481 29.700 -0.027 0.000 0.951 147 E HN 0.200 nan 8.360 nan 0.000 0.449 148 P HA -0.008 nan 4.420 nan 0.000 0.265 148 P C 0.323 177.379 177.300 -0.406 0.000 1.187 148 P CA 1.077 64.115 63.100 -0.103 0.000 0.766 148 P CB 0.593 32.350 31.700 0.095 0.000 0.820 149 G N 1.369 109.662 108.800 -0.845 0.000 2.195 149 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.246 149 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.246 149 G C 0.355 174.930 174.900 -0.541 0.000 0.984 149 G CA -0.027 44.318 45.100 -1.259 0.000 0.633 149 G HN 0.583 nan 8.290 nan 0.000 0.525 150 S N -0.114 115.401 115.700 -0.308 0.000 2.562 150 S HA 0.480 4.950 4.470 -0.000 0.000 0.281 150 S C 0.531 175.042 174.600 -0.149 0.000 1.333 150 S CA -0.089 58.022 58.200 -0.148 0.000 1.052 150 S CB 2.052 65.202 63.200 -0.083 0.000 0.884 150 S HN 0.671 nan 8.310 nan 0.000 0.506 151 V N 3.873 123.749 119.914 -0.062 0.000 2.427 151 V HA 0.374 4.494 4.120 -0.000 0.000 0.286 151 V C -0.125 175.954 176.094 -0.026 0.000 1.034 151 V CA -0.570 61.692 62.300 -0.063 0.000 0.893 151 V CB 1.637 33.457 31.823 -0.004 0.000 0.982 151 V HN 0.653 nan 8.190 nan 0.000 0.452 152 V N 6.264 126.146 119.914 -0.053 0.000 2.417 152 V HA 0.483 4.603 4.120 -0.000 0.000 0.291 152 V C -0.113 175.951 176.094 -0.049 0.000 1.024 152 V CA -0.471 61.801 62.300 -0.047 0.000 0.861 152 V CB 1.737 33.525 31.823 -0.059 0.000 0.985 152 V HN 0.652 nan 8.190 nan 0.000 0.436 153 I N 3.527 124.074 120.570 -0.039 0.000 2.304 153 I HA 0.241 4.411 4.170 -0.000 0.000 0.291 153 I C 0.545 176.634 176.117 -0.046 0.000 1.018 153 I CA -0.124 61.150 61.300 -0.044 0.000 1.260 153 I CB 1.426 39.407 38.000 -0.033 0.000 1.390 153 I HN 0.531 nan 8.210 nan 0.000 0.475 154 T N 6.476 121.000 114.554 -0.049 0.000 2.751 154 T HA 0.058 4.408 4.350 -0.000 0.000 0.290 154 T C 1.268 175.951 174.700 -0.029 0.000 0.919 154 T CA -0.129 61.947 62.100 -0.041 0.000 1.136 154 T CB 0.529 69.376 68.868 -0.035 0.000 0.875 154 T HN 0.590 nan 8.240 nan 0.000 0.532 155 R N 3.075 123.555 120.500 -0.033 0.000 2.073 155 R HA 0.071 4.411 4.340 -0.000 0.000 0.229 155 R C 0.668 176.958 176.300 -0.017 0.000 1.120 155 R CA 0.997 57.081 56.100 -0.026 0.000 0.967 155 R CB 0.293 30.572 30.300 -0.035 0.000 0.862 155 R HN 0.646 nan 8.270 nan 0.000 0.436 156 Q N -0.382 119.407 119.800 -0.018 0.000 2.281 156 Q HA 0.429 4.769 4.340 -0.000 0.000 0.263 156 Q C -1.926 174.074 176.000 0.000 0.000 0.989 156 Q CA -0.555 55.245 55.803 -0.006 0.000 0.852 156 Q CB 2.295 31.028 28.738 -0.008 0.000 1.337 156 Q HN 0.367 nan 8.270 nan 0.000 0.418 157 A N 2.451 125.280 122.820 0.016 0.000 2.354 157 A HA 0.728 5.048 4.320 -0.000 0.000 0.269 157 A C -0.828 176.783 177.584 0.046 0.000 1.109 157 A CA -0.236 51.817 52.037 0.026 0.000 0.800 157 A CB 1.026 20.045 19.000 0.033 0.000 1.045 157 A HN 0.472 nan 8.150 nan 0.000 0.489 158 V N 2.300 122.251 119.914 0.061 0.000 2.971 158 V HA 0.364 4.484 4.120 -0.000 0.000 0.309 158 V C -0.816 175.348 176.094 0.116 0.000 1.130 158 V CA -0.607 61.747 62.300 0.091 0.000 0.964 158 V CB 2.333 34.214 31.823 0.097 0.000 1.029 158 V HN 1.151 nan 8.190 nan 0.000 0.427 159 D N 4.151 124.621 120.400 0.116 0.000 2.451 159 D HA 0.362 5.002 4.640 -0.000 0.000 0.259 159 D C -2.219 174.151 176.300 0.116 0.000 1.201 159 D CA -2.117 51.945 54.000 0.103 0.000 1.028 159 D CB 0.672 41.510 40.800 0.063 0.000 1.095 159 D HN 0.228 nan 8.370 nan 0.000 0.539 160 P HA 0.104 nan 4.420 nan 0.000 0.239 160 P C 0.222 177.460 177.300 -0.104 0.000 1.184 160 P CA 0.480 63.652 63.100 0.121 0.000 0.760 160 P CB 0.015 31.778 31.700 0.104 0.000 0.884 161 C N -2.110 117.047 119.300 -0.239 0.000 2.884 161 C HA 0.350 4.810 4.460 -0.000 0.000 0.287 161 C C 0.853 175.463 174.990 -0.633 0.000 1.310 161 C CA -0.236 58.450 59.018 -0.552 0.000 1.725 161 C CB -2.102 25.476 27.740 -0.269 0.000 2.060 161 C HN 0.319 nan 8.230 nan 0.000 0.618 162 F N -1.025 118.933 119.950 0.014 0.000 2.914 162 F HA -0.241 4.286 4.527 0.000 0.000 0.304 162 F C 0.934 176.730 175.800 -0.007 0.000 0.712 162 F CA 0.547 58.539 58.000 -0.013 0.000 1.211 162 F CB -2.006 36.973 39.000 -0.036 0.000 1.515 162 F HN 0.359 nan 8.300 nan 0.000 0.350 163 K N 1.504 121.962 120.400 0.097 0.000 2.205 163 K HA 0.495 4.815 4.320 -0.000 0.000 0.279 163 K C -2.208 174.432 176.600 0.067 0.000 1.027 163 K CA -1.643 54.682 56.287 0.063 0.000 0.932 163 K CB -0.118 32.394 32.500 0.021 0.000 1.032 163 K HN -0.010 nan 8.250 nan 0.000 0.466 164 P HA 0.145 nan 4.420 nan 0.000 0.226 164 P C -1.196 176.139 177.300 0.058 0.000 1.783 164 P CA 0.236 63.368 63.100 0.054 0.000 0.980 164 P CB -0.483 31.239 31.700 0.036 0.000 1.967 165 E N 0.749 120.993 120.200 0.073 0.000 2.314 165 E HA 0.459 4.809 4.350 -0.000 0.000 0.272 165 E C -1.455 175.230 176.600 0.141 0.000 0.884 165 E CA -0.846 55.601 56.400 0.078 0.000 0.753 165 E CB 2.126 31.844 29.700 0.030 0.000 1.213 165 E HN 0.122 nan 8.360 nan 0.000 0.432 166 F N 2.209 122.157 119.950 -0.004 0.000 2.467 166 F HA 0.290 4.817 4.527 -0.000 0.000 0.336 166 F C -0.346 175.451 175.800 -0.005 0.000 1.123 166 F CA -0.537 57.461 58.000 -0.003 0.000 0.964 166 F CB 1.155 40.151 39.000 -0.008 0.000 1.136 166 F HN 0.386 nan 8.300 nan 0.000 0.447 167 E N 6.477 126.204 120.200 -0.788 0.000 2.166 167 E HA 0.289 4.639 4.350 -0.000 0.000 0.275 167 E C -1.606 174.485 176.600 -0.849 0.000 0.941 167 E CA -0.590 55.449 56.400 -0.602 0.000 0.784 167 E CB 1.601 31.109 29.700 -0.321 0.000 1.115 167 E HN 0.838 nan 8.360 nan 0.000 0.399 168 Q N 4.561 124.075 119.800 -0.476 0.000 2.359 168 Q HA 0.403 4.743 4.340 -0.000 0.000 0.274 168 Q C -1.313 174.609 176.000 -0.130 0.000 1.074 168 Q CA -0.790 54.843 55.803 -0.284 0.000 0.810 168 Q CB 1.627 30.300 28.738 -0.109 0.000 1.342 168 Q HN 0.644 nan 8.270 nan 0.000 0.427 169 I N 3.249 123.771 120.570 -0.081 0.000 2.315 169 I HA 0.348 4.518 4.170 -0.000 0.000 0.291 169 I C -0.772 175.333 176.117 -0.021 0.000 1.006 169 I CA -0.805 60.466 61.300 -0.048 0.000 1.265 169 I CB 1.526 39.500 38.000 -0.042 0.000 1.387 169 I HN 0.297 nan 8.210 nan 0.000 0.475 170 V N 7.457 127.361 119.914 -0.016 0.000 2.444 170 V HA 0.280 4.400 4.120 -0.000 0.000 0.294 170 V C 0.500 176.589 176.094 -0.008 0.000 1.022 170 V CA -0.758 61.539 62.300 -0.004 0.000 0.850 170 V CB 1.596 33.422 31.823 0.005 0.000 0.992 170 V HN 0.682 nan 8.190 nan 0.000 0.426 171 L N 4.939 126.157 121.223 -0.008 0.000 3.742 171 L HA -0.290 4.050 4.340 -0.000 0.000 0.431 171 L C 1.434 178.297 176.870 -0.011 0.000 1.220 171 L CA 0.755 55.590 54.840 -0.010 0.000 0.863 171 L CB -1.771 40.283 42.059 -0.007 0.000 1.751 171 L HN 1.186 nan 8.230 nan 0.000 0.922 172 G N -0.969 107.823 108.800 -0.013 0.000 2.205 172 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.261 172 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.261 172 G C 0.190 175.079 174.900 -0.018 0.000 0.980 172 G CA 0.800 45.890 45.100 -0.015 0.000 0.632 172 G HN 0.621 nan 8.290 nan 0.000 0.533 173 K N 0.008 120.396 120.400 -0.019 0.000 2.207 173 K HA 0.756 5.076 4.320 -0.000 0.000 0.255 173 K C 0.063 176.644 176.600 -0.031 0.000 0.941 173 K CA -1.097 55.177 56.287 -0.022 0.000 0.825 173 K CB 1.728 34.218 32.500 -0.017 0.000 1.119 173 K HN 0.258 nan 8.250 nan 0.000 0.430 174 R N 1.646 122.123 120.500 -0.038 0.000 2.389 174 R HA 0.105 4.445 4.340 -0.000 0.000 0.295 174 R C -0.800 175.470 176.300 -0.050 0.000 1.075 174 R CA 0.162 56.230 56.100 -0.054 0.000 1.005 174 R CB 0.546 30.812 30.300 -0.057 0.000 0.987 174 R HN 0.799 nan 8.270 nan 0.000 0.452 175 E N 2.782 122.943 120.200 -0.065 0.000 2.340 175 E HA 0.365 4.715 4.350 -0.000 0.000 0.273 175 E C -1.401 175.155 176.600 -0.074 0.000 0.891 175 E CA -1.090 55.280 56.400 -0.050 0.000 0.757 175 E CB 2.495 32.180 29.700 -0.025 0.000 1.231 175 E HN 0.448 nan 8.360 nan 0.000 0.439 176 V N -0.730 119.158 119.914 -0.043 0.000 2.876 176 V HA 0.739 4.859 4.120 -0.000 0.000 0.312 176 V C -0.965 175.139 176.094 0.017 0.000 1.085 176 V CA -0.847 61.431 62.300 -0.036 0.000 0.945 176 V CB 1.960 33.760 31.823 -0.038 0.000 1.017 176 V HN 0.641 nan 8.190 nan 0.000 0.428 177 R N 2.277 122.817 120.500 0.066 0.000 2.795 177 R HA 0.493 4.833 4.340 -0.000 0.000 0.275 177 R C -0.809 175.539 176.300 0.080 0.000 0.981 177 R CA -0.782 55.363 56.100 0.076 0.000 0.917 177 R CB 1.951 32.314 30.300 0.104 0.000 1.202 177 R HN 0.950 nan 8.270 nan 0.000 0.469 178 N N -0.124 118.602 118.700 0.045 0.000 2.482 178 N HA 0.021 4.761 4.740 -0.000 0.000 0.260 178 N C -0.049 175.482 175.510 0.035 0.000 1.236 178 N CA 0.055 53.127 53.050 0.037 0.000 0.938 178 N CB 0.859 39.356 38.487 0.016 0.000 1.128 178 N HN 0.657 nan 8.380 nan 0.000 0.448 179 T N -1.699 112.877 114.554 0.036 0.000 3.415 179 T HA 0.272 4.622 4.350 -0.000 0.000 0.282 179 T C -0.703 174.006 174.700 0.015 0.000 1.007 179 T CA -0.807 61.309 62.100 0.027 0.000 0.958 179 T CB -0.390 68.512 68.868 0.056 0.000 1.171 179 T HN 0.318 nan 8.240 nan 0.000 0.500 180 D N 1.601 122.004 120.400 0.006 0.000 2.344 180 D HA 0.490 5.130 4.640 -0.000 0.000 0.244 180 D C 0.106 176.403 176.300 -0.005 0.000 1.134 180 D CA -0.286 53.715 54.000 0.001 0.000 0.930 180 D CB 1.181 41.979 40.800 -0.002 0.000 1.175 180 D HN 0.347 nan 8.370 nan 0.000 0.437 181 L N 0.531 121.753 121.223 -0.001 0.000 2.319 181 L HA 0.233 4.573 4.340 -0.000 0.000 0.267 181 L C 0.450 177.318 176.870 -0.003 0.000 1.011 181 L CA -1.092 53.749 54.840 0.000 0.000 0.818 181 L CB 1.671 43.740 42.059 0.018 0.000 1.316 181 L HN 0.267 nan 8.230 nan 0.000 0.432 182 D N 1.452 121.851 120.400 -0.003 0.000 2.451 182 D HA -0.113 4.527 4.640 -0.000 0.000 0.254 182 D C 0.686 176.989 176.300 0.004 0.000 1.204 182 D CA 0.376 54.377 54.000 0.001 0.000 0.896 182 D CB 1.339 42.142 40.800 0.006 0.000 1.136 182 D HN 0.561 nan 8.370 nan 0.000 0.499 183 E N 3.474 123.677 120.200 0.005 0.000 2.107 183 E HA -0.201 4.149 4.350 -0.000 0.000 0.191 183 E C 1.768 178.376 176.600 0.013 0.000 0.982 183 E CA 1.301 57.703 56.400 0.005 0.000 0.809 183 E CB -0.077 29.625 29.700 0.002 0.000 0.756 183 E HN 0.669 nan 8.360 nan 0.000 0.459 184 Q N -0.309 119.505 119.800 0.022 0.000 2.167 184 Q HA -0.076 4.264 4.340 -0.000 0.000 0.202 184 Q C 2.194 178.225 176.000 0.051 0.000 0.970 184 Q CA 1.146 56.970 55.803 0.036 0.000 0.855 184 Q CB -0.118 28.646 28.738 0.043 0.000 0.911 184 Q HN 0.395 nan 8.270 nan 0.000 0.438 185 L N 0.032 121.281 121.223 0.044 0.000 2.056 185 L HA -0.132 4.208 4.340 -0.000 0.000 0.207 185 L C 2.449 179.319 176.870 -0.000 0.000 1.078 185 L CA 1.267 56.130 54.840 0.038 0.000 0.749 185 L CB -0.335 41.730 42.059 0.010 0.000 0.901 185 L HN 0.360 nan 8.230 nan 0.000 0.433 186 V N -1.579 118.331 119.914 -0.006 0.000 2.343 186 V HA -0.289 3.831 4.120 -0.000 0.000 0.247 186 V C 2.278 178.372 176.094 -0.001 0.000 1.051 186 V CA 2.023 64.313 62.300 -0.017 0.000 1.036 186 V CB -0.576 31.237 31.823 -0.017 0.000 0.654 186 V HN 0.519 nan 8.190 nan 0.000 0.451 187 Q N 0.870 120.678 119.800 0.014 0.000 2.167 187 Q HA -0.180 4.160 4.340 -0.000 0.000 0.202 187 Q C 2.235 178.261 176.000 0.043 0.000 0.970 187 Q CA 2.335 58.151 55.803 0.021 0.000 0.855 187 Q CB -0.558 28.193 28.738 0.021 0.000 0.911 187 Q HN 0.868 nan 8.270 nan 0.000 0.438 188 E N -0.959 119.283 120.200 0.069 0.000 2.072 188 E HA -0.157 4.193 4.350 -0.000 0.000 0.191 188 E C 1.475 178.156 176.600 0.135 0.000 0.985 188 E CA 0.854 57.328 56.400 0.124 0.000 0.801 188 E CB -0.005 29.820 29.700 0.208 0.000 0.750 188 E HN 0.316 nan 8.360 nan 0.000 0.452 189 L N 0.829 122.097 121.223 0.074 0.000 2.093 189 L HA -0.079 4.261 4.340 -0.000 0.000 0.208 189 L C 2.493 179.388 176.870 0.041 0.000 1.085 189 L CA 1.797 56.661 54.840 0.041 0.000 0.755 189 L CB -1.564 40.459 42.059 -0.060 0.000 0.904 189 L HN 0.208 nan 8.230 nan 0.000 0.435 190 A N -0.623 122.212 122.820 0.025 0.000 1.908 190 A HA -0.244 4.076 4.320 -0.000 0.000 0.218 190 A C 2.519 180.111 177.584 0.014 0.000 1.181 190 A CA 1.683 53.728 52.037 0.014 0.000 0.627 190 A CB -0.468 18.535 19.000 0.005 0.000 0.818 190 A HN 0.313 nan 8.150 nan 0.000 0.445 191 R N -1.188 119.330 120.500 0.030 0.000 2.081 191 R HA -0.127 4.213 4.340 -0.000 0.000 0.235 191 R C 2.226 178.543 176.300 0.029 0.000 1.131 191 R CA 1.598 57.714 56.100 0.027 0.000 0.960 191 R CB -0.633 29.691 30.300 0.039 0.000 0.856 191 R HN 0.629 nan 8.270 nan 0.000 0.436 192 C N -0.963 118.374 119.300 0.062 0.000 2.425 192 C HA -0.070 4.390 4.460 -0.000 0.000 0.277 192 C C 2.882 177.881 174.990 0.016 0.000 1.280 192 C CA 0.978 60.037 59.018 0.068 0.000 1.744 192 C CB -0.689 27.140 27.740 0.148 0.000 1.989 192 C HN 0.523 nan 8.230 nan 0.000 0.491 193 S N 0.234 115.931 115.700 -0.005 0.000 2.387 193 S HA -0.043 4.427 4.470 -0.000 0.000 0.226 193 S C 2.082 176.594 174.600 -0.146 0.000 1.026 193 S CA 1.278 59.422 58.200 -0.094 0.000 0.972 193 S CB -0.286 62.877 63.200 -0.061 0.000 0.814 193 S HN 0.610 nan 8.310 nan 0.000 0.477 194 A N 1.208 123.979 122.820 -0.081 0.000 1.908 194 A HA -0.138 4.182 4.320 -0.000 0.000 0.218 194 A C 1.927 179.467 177.584 -0.073 0.000 1.181 194 A CA 1.759 53.751 52.037 -0.076 0.000 0.627 194 A CB -0.676 18.300 19.000 -0.041 0.000 0.818 194 A HN 0.687 nan 8.150 nan 0.000 0.445 195 E N -0.329 119.840 120.200 -0.052 0.000 2.150 195 E HA -0.110 4.240 4.350 -0.000 0.000 0.193 195 E C 1.937 178.502 176.600 -0.058 0.000 0.985 195 E CA 0.871 57.247 56.400 -0.040 0.000 0.814 195 E CB -0.242 29.449 29.700 -0.015 0.000 0.752 195 E HN 0.624 nan 8.360 nan 0.000 0.466 196 L N -0.165 121.002 121.223 -0.093 0.000 2.027 196 L HA -0.080 4.260 4.340 -0.000 0.000 0.206 196 L C 1.590 178.368 176.870 -0.154 0.000 1.074 196 L CA 1.054 55.820 54.840 -0.123 0.000 0.745 196 L CB -0.562 41.376 42.059 -0.202 0.000 0.898 196 L HN 0.374 nan 8.230 nan 0.000 0.433 197 G N -0.012 108.662 108.800 -0.210 0.000 2.221 197 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.265 197 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.265 197 G C 0.518 175.308 174.900 -0.183 0.000 1.041 197 G CA 0.744 45.740 45.100 -0.173 0.000 0.807 197 G HN 0.525 nan 8.290 nan 0.000 0.502 198 E N -1.594 118.405 120.200 -0.336 0.000 2.399 198 E HA 0.383 4.733 4.350 -0.000 0.000 0.205 198 E C 0.538 177.105 176.600 -0.055 0.000 0.906 198 E CA 0.624 56.914 56.400 -0.185 0.000 0.998 198 E CB 0.496 30.148 29.700 -0.080 0.000 1.002 198 E HN 0.820 nan 8.360 nan 0.000 0.501 199 F N -1.007 118.934 119.950 -0.015 0.000 2.693 199 F HA 0.542 5.069 4.527 0.000 0.000 0.309 199 F C -3.074 172.702 175.800 -0.040 0.000 1.129 199 F CA -3.139 54.842 58.000 -0.033 0.000 0.948 199 F CB 0.207 39.177 39.000 -0.049 0.000 1.315 199 F HN -0.330 nan 8.300 nan 0.000 0.447 200 P HA 0.333 nan 4.420 nan 0.000 0.271 200 P C -0.934 176.449 177.300 0.138 0.000 1.220 200 P CA -0.029 63.123 63.100 0.087 0.000 0.768 200 P CB 1.136 32.862 31.700 0.043 0.000 0.848 201 T N 1.964 116.562 114.554 0.074 0.000 2.937 201 T HA 0.487 4.837 4.350 -0.000 0.000 0.297 201 T C -0.476 174.237 174.700 0.021 0.000 0.991 201 T CA -0.579 61.567 62.100 0.077 0.000 0.990 201 T CB 1.178 70.098 68.868 0.087 0.000 0.991 201 T HN 0.310 nan 8.240 nan 0.000 0.440 202 V N 1.497 121.415 119.914 0.007 0.000 2.769 202 V HA 0.919 5.039 4.120 -0.000 0.000 0.312 202 V C -0.079 175.999 176.094 -0.025 0.000 1.061 202 V CA -1.002 61.290 62.300 -0.014 0.000 0.931 202 V CB 1.756 33.566 31.823 -0.021 0.000 1.010 202 V HN 0.742 nan 8.190 nan 0.000 0.433 203 V N 4.295 124.190 119.914 -0.032 0.000 2.432 203 V HA 1.006 5.126 4.120 -0.000 0.000 0.275 203 V C 0.319 176.376 176.094 -0.061 0.000 1.043 203 V CA 1.064 63.340 62.300 -0.041 0.000 0.925 203 V CB 0.481 32.285 31.823 -0.033 0.000 0.985 203 V HN 1.780 nan 8.190 nan 0.000 0.466 204 G N 4.301 113.059 108.800 -0.070 0.000 2.645 204 G HA2 0.397 4.357 3.960 -0.000 0.000 0.292 204 G HA3 0.397 4.357 3.960 -0.000 0.000 0.292 204 G C -1.438 173.408 174.900 -0.089 0.000 1.415 204 G CA -1.105 43.936 45.100 -0.098 0.000 0.785 204 G HN 0.718 nan 8.290 nan 0.000 0.483 205 N N -0.200 118.434 118.700 -0.110 0.000 2.513 205 N HA 0.633 5.373 4.740 -0.000 0.000 0.274 205 N C -0.499 174.962 175.510 -0.082 0.000 1.189 205 N CA 0.136 53.134 53.050 -0.086 0.000 0.975 205 N CB 1.445 39.878 38.487 -0.090 0.000 1.157 205 N HN 0.374 nan 8.380 nan 0.000 0.465 206 T N 1.030 115.553 114.554 -0.050 0.000 2.840 206 T HA 0.329 4.679 4.350 -0.000 0.000 0.287 206 T C -0.059 174.635 174.700 -0.010 0.000 0.991 206 T CA -0.527 61.548 62.100 -0.041 0.000 0.964 206 T CB 0.931 69.776 68.868 -0.038 0.000 0.954 206 T HN 0.313 nan 8.240 nan 0.000 0.438 207 M N 3.234 122.831 119.600 -0.004 0.000 2.188 207 M HA 0.502 4.982 4.480 -0.000 0.000 0.357 207 M C -0.602 175.726 176.300 0.048 0.000 1.204 207 M CA -0.491 54.837 55.300 0.047 0.000 1.095 207 M CB 0.333 32.975 32.600 0.069 0.000 1.604 207 M HN 0.744 nan 8.290 nan 0.000 0.464 208 C N 5.512 124.854 119.300 0.070 0.000 2.303 208 C HA 0.837 5.297 4.460 -0.000 0.000 0.326 208 C C 0.249 175.292 174.990 0.089 0.000 1.285 208 C CA -0.120 58.938 59.018 0.066 0.000 1.675 208 C CB 0.397 28.177 27.740 0.066 0.000 2.289 208 C HN 0.965 nan 8.230 nan 0.000 0.512 209 T N 3.475 118.077 114.554 0.080 0.000 2.930 209 T HA 0.510 4.860 4.350 -0.000 0.000 0.290 209 T C 0.345 175.101 174.700 0.092 0.000 1.052 209 T CA -0.773 61.379 62.100 0.087 0.000 1.017 209 T CB 1.289 70.204 68.868 0.079 0.000 1.137 209 T HN 0.580 nan 8.240 nan 0.000 0.511 210 L N 0.188 121.466 121.223 0.092 0.000 2.607 210 L HA 0.430 4.770 4.340 -0.000 0.000 0.228 210 L C 0.177 177.112 176.870 0.108 0.000 1.123 210 L CA 0.179 55.076 54.840 0.096 0.000 0.890 210 L CB 0.029 42.137 42.059 0.082 0.000 1.103 210 L HN 0.784 nan 8.230 nan 0.000 0.468 211 D N -2.101 118.371 120.400 0.120 0.000 2.947 211 D HA 0.101 4.741 4.640 -0.000 0.000 0.224 211 D C 0.111 176.516 176.300 0.175 0.000 1.230 211 D CA -0.588 53.510 54.000 0.163 0.000 0.871 211 D CB 1.373 42.264 40.800 0.153 0.000 1.671 211 D HN -0.051 nan 8.370 nan 0.000 0.507 212 F N 2.690 122.663 119.950 0.038 0.000 2.367 212 F HA 0.101 4.628 4.527 -0.000 0.000 0.298 212 F C 0.194 175.860 175.800 -0.223 0.000 1.094 212 F CA 1.139 59.071 58.000 -0.113 0.000 1.409 212 F CB 0.158 39.038 39.000 -0.200 0.000 1.064 212 F HN 0.465 nan 8.300 nan 0.000 0.528 213 Y N 0.226 120.668 120.300 0.236 0.000 2.414 213 Y HA 0.075 4.625 4.550 0.000 0.000 0.248 213 Y C 2.424 178.401 175.900 0.127 0.000 1.054 213 Y CA 0.963 59.165 58.100 0.170 0.000 1.156 213 Y CB -0.915 37.667 38.460 0.203 0.000 1.051 213 Y HN -0.234 nan 8.280 nan 0.000 0.485 214 E N 0.022 120.417 120.200 0.325 0.000 2.153 214 E HA -0.153 4.197 4.350 -0.000 0.000 0.194 214 E C 2.209 178.894 176.600 0.142 0.000 0.988 214 E CA 0.934 57.498 56.400 0.273 0.000 0.811 214 E CB -0.426 29.413 29.700 0.232 0.000 0.746 214 E HN 0.610 nan 8.360 nan 0.000 0.466 215 G N 0.525 109.395 108.800 0.117 0.000 2.509 215 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.218 215 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.218 215 G C 1.196 176.124 174.900 0.046 0.000 1.124 215 G CA 0.356 45.495 45.100 0.064 0.000 0.776 215 G HN 0.206 nan 8.290 nan 0.000 0.547 216 Q N -1.045 118.768 119.800 0.022 0.000 2.135 216 Q HA 0.338 4.678 4.340 -0.000 0.000 0.222 216 Q C 1.212 177.241 176.000 0.049 0.000 0.808 216 Q CA 0.122 55.929 55.803 0.007 0.000 1.049 216 Q CB 1.103 29.743 28.738 -0.163 0.000 1.168 216 Q HN 0.362 nan 8.270 nan 0.000 0.483 217 G N 1.932 110.770 108.800 0.064 0.000 2.160 217 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.251 217 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.251 217 G C 0.013 175.064 174.900 0.253 0.000 1.008 217 G CA -0.005 45.145 45.100 0.083 0.000 0.724 217 G HN 0.211 nan 8.290 nan 0.000 0.514 218 R N -0.873 119.755 120.500 0.214 0.000 2.641 218 R HA 0.449 4.789 4.340 -0.000 0.000 0.269 218 R C 1.472 177.911 176.300 0.232 0.000 1.074 218 R CA -0.146 56.066 56.100 0.187 0.000 1.133 218 R CB 0.347 30.727 30.300 0.134 0.000 1.029 218 R HN 0.258 nan 8.270 nan 0.000 0.488 219 L N 1.454 122.763 121.223 0.144 0.000 2.607 219 L HA 0.050 4.390 4.340 -0.000 0.000 0.228 219 L C 0.758 177.651 176.870 0.038 0.000 1.123 219 L CA 0.210 55.066 54.840 0.027 0.000 0.890 219 L CB -0.043 42.030 42.059 0.023 0.000 1.103 219 L HN 0.667 nan 8.230 nan 0.000 0.468 220 D N -0.365 120.122 120.400 0.145 0.000 2.501 220 D HA 0.105 4.745 4.640 -0.000 0.000 0.226 220 D C 0.804 177.156 176.300 0.088 0.000 1.198 220 D CA -0.107 53.977 54.000 0.139 0.000 0.830 220 D CB 0.195 41.111 40.800 0.193 0.000 1.014 220 D HN 0.052 nan 8.370 nan 0.000 0.496 221 G N -0.077 108.749 108.800 0.043 0.000 2.535 221 G HA2 0.407 4.367 3.960 -0.000 0.000 0.282 221 G HA3 0.407 4.367 3.960 -0.000 0.000 0.282 221 G C 0.928 175.699 174.900 -0.215 0.000 1.350 221 G CA -0.128 44.802 45.100 -0.283 0.000 1.039 221 G HN 0.162 nan 8.290 nan 0.000 0.509 222 A N -1.550 121.132 122.820 -0.230 0.000 2.119 222 A HA 0.384 4.704 4.320 -0.000 0.000 0.216 222 A C 0.419 177.951 177.584 -0.086 0.000 1.152 222 A CA 0.796 52.752 52.037 -0.135 0.000 0.708 222 A CB -0.178 18.749 19.000 -0.121 0.000 0.805 222 A HN 0.277 nan 8.150 nan 0.000 0.460 223 L N -1.495 119.685 121.223 -0.073 0.000 2.385 223 L HA 0.576 4.916 4.340 -0.000 0.000 0.273 223 L C -0.782 176.043 176.870 -0.075 0.000 0.990 223 L CA -0.615 54.195 54.840 -0.050 0.000 0.821 223 L CB 1.233 43.285 42.059 -0.012 0.000 1.279 223 L HN 0.163 nan 8.230 nan 0.000 0.412 224 C N 1.730 120.951 119.300 -0.131 0.000 3.073 224 C HA 0.441 4.901 4.460 -0.000 0.000 0.412 224 C C 0.528 175.347 174.990 -0.285 0.000 1.040 224 C CA -0.108 58.726 59.018 -0.308 0.000 1.254 224 C CB 0.683 28.182 27.740 -0.401 0.000 1.642 224 C HN 0.934 nan 8.230 nan 0.000 0.530 225 S N 3.197 118.760 115.700 -0.227 0.000 2.602 225 S HA 0.359 4.829 4.470 -0.000 0.000 0.240 225 S C -0.133 174.456 174.600 -0.019 0.000 0.992 225 S CA -0.251 57.897 58.200 -0.088 0.000 0.971 225 S CB -0.323 62.879 63.200 0.004 0.000 0.855 225 S HN 1.055 nan 8.310 nan 0.000 0.481 226 Y N 0.193 120.493 120.300 -0.000 0.000 2.730 226 Y HA 0.880 5.430 4.550 -0.000 0.000 0.325 226 Y C 0.131 176.036 175.900 0.008 0.000 1.132 226 Y CA -0.890 57.210 58.100 -0.001 0.000 1.206 226 Y CB 0.159 38.613 38.460 -0.010 0.000 1.390 226 Y HN 0.079 nan 8.280 nan 0.000 0.555 227 T N -3.096 111.616 114.554 0.263 0.000 2.949 227 T HA 0.266 4.616 4.350 -0.000 0.000 0.287 227 T C 0.644 175.457 174.700 0.190 0.000 1.034 227 T CA -0.260 61.926 62.100 0.145 0.000 1.018 227 T CB 1.816 70.742 68.868 0.096 0.000 1.135 227 T HN 0.864 nan 8.240 nan 0.000 0.532 228 E N 0.957 121.225 120.200 0.113 0.000 2.097 228 E HA -0.214 4.136 4.350 -0.000 0.000 0.196 228 E C 1.959 178.618 176.600 0.098 0.000 1.000 228 E CA 1.892 58.354 56.400 0.103 0.000 0.804 228 E CB -0.253 29.485 29.700 0.062 0.000 0.740 228 E HN 0.750 nan 8.360 nan 0.000 0.454 229 K N -0.183 120.266 120.400 0.082 0.000 2.057 229 K HA -0.158 4.162 4.320 -0.000 0.000 0.206 229 K C 1.576 178.220 176.600 0.074 0.000 1.050 229 K CA 1.646 57.972 56.287 0.065 0.000 0.935 229 K CB -0.063 32.467 32.500 0.051 0.000 0.715 229 K HN 0.168 nan 8.250 nan 0.000 0.439 230 D N 0.711 121.166 120.400 0.093 0.000 2.117 230 D HA -0.206 4.434 4.640 -0.000 0.000 0.197 230 D C 1.729 178.065 176.300 0.059 0.000 0.987 230 D CA 1.120 55.160 54.000 0.066 0.000 0.829 230 D CB -0.093 40.748 40.800 0.068 0.000 0.961 230 D HN 0.321 nan 8.370 nan 0.000 0.460 231 K N 0.621 121.080 120.400 0.100 0.000 2.009 231 K HA -0.197 4.123 4.320 -0.000 0.000 0.210 231 K C 2.021 178.691 176.600 0.117 0.000 1.049 231 K CA 1.175 57.529 56.287 0.111 0.000 0.929 231 K CB 0.074 32.676 32.500 0.169 0.000 0.714 231 K HN -0.062 nan 8.250 nan 0.000 0.440 232 Q N 1.228 121.078 119.800 0.084 0.000 2.077 232 Q HA -0.200 4.140 4.340 -0.000 0.000 0.206 232 Q C 1.847 177.877 176.000 0.049 0.000 0.989 232 Q CA 2.212 58.044 55.803 0.049 0.000 0.853 232 Q CB -0.471 28.286 28.738 0.032 0.000 0.907 232 Q HN 0.711 nan 8.270 nan 0.000 0.418 233 D N -1.044 119.399 120.400 0.071 0.000 2.224 233 D HA -0.171 4.469 4.640 -0.000 0.000 0.205 233 D C 1.815 178.187 176.300 0.120 0.000 0.965 233 D CA 0.689 54.733 54.000 0.073 0.000 0.852 233 D CB -0.742 40.100 40.800 0.070 0.000 0.947 233 D HN 0.272 nan 8.370 nan 0.000 0.494 234 Y N 1.302 121.613 120.300 0.019 0.000 2.163 234 Y HA 0.026 4.576 4.550 0.000 0.000 0.288 234 Y C 2.114 178.056 175.900 0.071 0.000 1.136 234 Y CA 1.278 59.410 58.100 0.053 0.000 1.147 234 Y CB -0.360 38.098 38.460 -0.003 0.000 0.987 234 Y HN -0.079 nan 8.280 nan 0.000 0.509 235 L N -0.295 120.897 121.223 -0.052 0.000 2.083 235 L HA -0.200 4.140 4.340 -0.000 0.000 0.209 235 L C 2.503 179.292 176.870 -0.135 0.000 1.083 235 L CA 1.472 56.219 54.840 -0.154 0.000 0.752 235 L CB -0.456 41.577 42.059 -0.043 0.000 0.899 235 L HN 0.155 nan 8.230 nan 0.000 0.433 236 R N -0.300 120.158 120.500 -0.070 0.000 2.115 236 R HA -0.029 4.311 4.340 -0.000 0.000 0.226 236 R C 2.456 178.731 176.300 -0.042 0.000 1.100 236 R CA 1.033 57.103 56.100 -0.050 0.000 0.980 236 R CB -0.308 29.967 30.300 -0.043 0.000 0.875 236 R HN 0.306 nan 8.270 nan 0.000 0.445 237 A N 1.219 124.006 122.820 -0.055 0.000 1.902 237 A HA -0.106 4.214 4.320 -0.000 0.000 0.217 237 A C 2.342 179.737 177.584 -0.316 0.000 1.181 237 A CA 1.628 53.637 52.037 -0.047 0.000 0.623 237 A CB -0.646 18.426 19.000 0.120 0.000 0.818 237 A HN 0.376 nan 8.150 nan 0.000 0.443 238 A N -1.387 121.085 122.820 -0.581 0.000 1.883 238 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 238 A C 2.161 179.397 177.584 -0.580 0.000 1.186 238 A CA 1.739 53.132 52.037 -1.075 0.000 0.624 238 A CB -0.925 17.584 19.000 -0.819 0.000 0.822 238 A HN 0.718 nan 8.150 nan 0.000 0.444 239 Y N 0.506 120.570 120.300 -0.393 0.000 2.165 239 Y HA -0.132 4.418 4.550 -0.000 0.000 0.286 239 Y C 2.632 178.400 175.900 -0.219 0.000 1.155 239 Y CA 1.476 59.422 58.100 -0.256 0.000 1.164 239 Y CB -0.355 38.000 38.460 -0.175 0.000 0.978 239 Y HN 0.316 nan 8.280 nan 0.000 0.513 240 A N -0.056 122.742 122.820 -0.037 0.000 2.070 240 A HA -0.007 4.313 4.320 -0.000 0.000 0.220 240 A C 2.068 179.559 177.584 -0.154 0.000 1.159 240 A CA 1.370 53.375 52.037 -0.053 0.000 0.656 240 A CB -1.127 17.870 19.000 -0.004 0.000 0.800 240 A HN 0.527 nan 8.150 nan 0.000 0.453 241 A N -1.787 120.876 122.820 -0.262 0.000 2.337 241 A HA 0.450 4.770 4.320 -0.000 0.000 0.227 241 A C 1.582 179.014 177.584 -0.253 0.000 1.259 241 A CA 0.986 52.881 52.037 -0.236 0.000 0.870 241 A CB -0.910 17.919 19.000 -0.286 0.000 0.927 241 A HN 1.788 nan 8.150 nan 0.000 0.497 242 G N -0.745 107.863 108.800 -0.321 0.000 2.157 242 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.239 242 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.239 242 G C 0.083 174.791 174.900 -0.320 0.000 0.982 242 G CA 0.133 45.045 45.100 -0.313 0.000 0.650 242 G HN 0.454 nan 8.290 nan 0.000 0.527 243 I N 0.548 120.900 120.570 -0.363 0.000 2.441 243 I HA 0.368 4.538 4.170 -0.000 0.000 0.287 243 I C 1.462 177.424 176.117 -0.258 0.000 1.049 243 I CA -0.612 60.516 61.300 -0.288 0.000 1.381 243 I CB 1.039 38.841 38.000 -0.330 0.000 1.409 243 I HN -0.052 nan 8.210 nan 0.000 0.523 244 R N 3.789 124.186 120.500 -0.172 0.000 2.394 244 R HA 0.221 4.561 4.340 -0.000 0.000 0.220 244 R C -0.333 175.932 176.300 -0.059 0.000 0.887 244 R CA 0.072 56.109 56.100 -0.106 0.000 1.034 244 R CB -0.113 30.123 30.300 -0.108 0.000 1.179 244 R HN 0.793 nan 8.270 nan 0.000 0.561 245 N N 0.032 118.689 118.700 -0.072 0.000 2.732 245 N HA 0.327 5.067 4.740 -0.000 0.000 0.259 245 N C -1.008 174.469 175.510 -0.056 0.000 1.402 245 N CA -0.644 52.370 53.050 -0.059 0.000 0.829 245 N CB 1.567 40.020 38.487 -0.058 0.000 1.495 245 N HN -0.154 nan 8.380 nan 0.000 0.511 246 I N 0.028 120.568 120.570 -0.051 0.000 2.499 246 I HA 0.410 4.580 4.170 -0.000 0.000 0.288 246 I C -0.603 175.493 176.117 -0.034 0.000 1.048 246 I CA -0.569 60.707 61.300 -0.040 0.000 1.062 246 I CB 1.942 39.910 38.000 -0.053 0.000 1.238 246 I HN 0.799 nan 8.210 nan 0.000 0.426 247 E N 5.090 125.283 120.200 -0.012 0.000 2.233 247 E HA 0.582 4.932 4.350 -0.000 0.000 0.223 247 E C -0.839 175.779 176.600 0.030 0.000 1.048 247 E CA -0.802 55.603 56.400 0.010 0.000 0.883 247 E CB 1.347 31.045 29.700 -0.003 0.000 1.925 247 E HN 0.459 nan 8.360 nan 0.000 0.460 248 M N -0.439 119.181 119.600 0.035 0.000 2.687 248 M HA 0.387 4.867 4.480 -0.000 0.000 0.413 248 M C -0.447 175.852 176.300 -0.002 0.000 1.216 248 M CA 0.186 55.512 55.300 0.044 0.000 0.871 248 M CB 0.806 33.458 32.600 0.087 0.000 1.481 248 M HN 0.504 nan 8.290 nan 0.000 0.521 249 E N 0.039 120.211 120.200 -0.047 0.000 2.608 249 E HA 0.307 4.657 4.350 -0.000 0.000 0.204 249 E C 1.762 178.302 176.600 -0.100 0.000 0.884 249 E CA 0.544 56.871 56.400 -0.121 0.000 1.533 249 E CB 0.240 29.787 29.700 -0.255 0.000 1.559 249 E HN 0.336 nan 8.360 nan 0.000 0.864 250 A N 1.241 124.020 122.820 -0.069 0.000 1.917 250 A HA -0.271 4.049 4.320 -0.000 0.000 0.219 250 A C 2.245 179.831 177.584 0.003 0.000 1.182 250 A CA 2.429 54.448 52.037 -0.030 0.000 0.633 250 A CB -0.919 18.065 19.000 -0.027 0.000 0.819 250 A HN 0.326 nan 8.150 nan 0.000 0.448 251 S N 0.180 115.866 115.700 -0.024 0.000 2.348 251 S HA -0.178 4.292 4.470 -0.000 0.000 0.221 251 S C 1.877 176.282 174.600 -0.325 0.000 1.033 251 S CA 1.962 60.135 58.200 -0.045 0.000 1.010 251 S CB -1.506 61.768 63.200 0.124 0.000 0.891 251 S HN 0.943 nan 8.310 nan 0.000 0.442 252 V N -0.565 118.983 119.914 -0.610 0.000 2.358 252 V HA -0.025 4.095 4.120 -0.000 0.000 0.246 252 V C 2.229 178.069 176.094 -0.423 0.000 1.047 252 V CA 1.643 63.389 62.300 -0.922 0.000 1.035 252 V CB -1.743 29.633 31.823 -0.746 0.000 0.658 252 V HN 0.395 nan 8.190 nan 0.000 0.452 253 F N 2.395 122.130 119.950 -0.358 0.000 2.065 253 F HA -0.186 4.341 4.527 -0.000 0.000 0.298 253 F C 2.458 178.133 175.800 -0.209 0.000 1.112 253 F CA 2.218 60.067 58.000 -0.253 0.000 1.212 253 F CB -0.727 38.153 39.000 -0.199 0.000 0.975 253 F HN 0.167 nan 8.300 nan 0.000 0.476 254 A N 0.110 122.887 122.820 -0.072 0.000 1.898 254 A HA -0.008 4.312 4.320 -0.000 0.000 0.216 254 A C 2.391 179.866 177.584 -0.182 0.000 1.181 254 A CA 1.699 53.664 52.037 -0.119 0.000 0.620 254 A CB -1.572 17.424 19.000 -0.007 0.000 0.819 254 A HN 0.538 nan 8.150 nan 0.000 0.442 255 A N -0.309 122.396 122.820 -0.191 0.000 1.883 255 A HA -0.162 4.158 4.320 -0.000 0.000 0.217 255 A C 2.294 179.769 177.584 -0.182 0.000 1.186 255 A CA 1.969 53.919 52.037 -0.145 0.000 0.624 255 A CB -0.557 18.365 19.000 -0.130 0.000 0.822 255 A HN 0.535 nan 8.150 nan 0.000 0.444 256 M N -1.186 118.246 119.600 -0.280 0.000 2.156 256 M HA -0.135 4.345 4.480 -0.000 0.000 0.264 256 M C 2.400 178.528 176.300 -0.287 0.000 1.067 256 M CA 1.185 56.316 55.300 -0.283 0.000 1.131 256 M CB -0.628 31.757 32.600 -0.359 0.000 1.368 256 M HN 0.550 nan 8.290 nan 0.000 0.416 257 C N 0.758 119.830 119.300 -0.380 0.000 2.429 257 C HA -0.133 4.327 4.460 -0.000 0.000 0.277 257 C C 2.321 177.180 174.990 -0.219 0.000 1.262 257 C CA 1.064 59.871 59.018 -0.352 0.000 1.733 257 C CB -1.666 25.763 27.740 -0.518 0.000 2.010 257 C HN 0.610 nan 8.230 nan 0.000 0.483 258 N N 1.078 119.668 118.700 -0.184 0.000 2.043 258 N HA -0.166 4.574 4.740 -0.000 0.000 0.193 258 N C 1.920 177.373 175.510 -0.097 0.000 1.037 258 N CA 1.439 54.420 53.050 -0.114 0.000 0.851 258 N CB -0.265 38.173 38.487 -0.083 0.000 1.027 258 N HN 0.522 nan 8.380 nan 0.000 0.422 259 A N 0.324 123.084 122.820 -0.101 0.000 1.948 259 A HA -0.168 4.152 4.320 -0.000 0.000 0.220 259 A C 2.046 179.577 177.584 -0.089 0.000 1.177 259 A CA 1.222 53.211 52.037 -0.081 0.000 0.636 259 A CB -0.641 18.314 19.000 -0.076 0.000 0.815 259 A HN 0.516 nan 8.150 nan 0.000 0.449 260 C N -1.140 118.091 119.300 -0.116 0.000 2.754 260 C HA 0.478 4.938 4.460 -0.000 0.000 0.276 260 C C 1.795 176.727 174.990 -0.097 0.000 1.264 260 C CA -0.110 58.840 59.018 -0.112 0.000 1.700 260 C CB -1.188 26.470 27.740 -0.137 0.000 1.885 260 C HN 1.087 nan 8.230 nan 0.000 0.607 261 G N 1.438 110.185 108.800 -0.089 0.000 2.249 261 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.273 261 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.273 261 G C -0.136 174.721 174.900 -0.072 0.000 1.036 261 G CA -0.004 45.054 45.100 -0.070 0.000 0.824 261 G HN 0.575 nan 8.290 nan 0.000 0.504 262 L N -0.433 120.730 121.223 -0.101 0.000 2.334 262 L HA 0.494 4.834 4.340 -0.000 0.000 0.277 262 L C 1.223 178.041 176.870 -0.086 0.000 1.075 262 L CA -0.950 53.831 54.840 -0.098 0.000 0.804 262 L CB 1.029 43.004 42.059 -0.140 0.000 1.174 262 L HN 0.104 nan 8.230 nan 0.000 0.438 263 R N 2.407 122.881 120.500 -0.043 0.000 2.296 263 R HA 0.576 4.916 4.340 -0.000 0.000 0.323 263 R C -0.469 175.825 176.300 -0.010 0.000 1.067 263 R CA -0.148 55.943 56.100 -0.014 0.000 0.946 263 R CB 0.823 31.141 30.300 0.030 0.000 0.991 263 R HN 0.715 nan 8.270 nan 0.000 0.448 264 A N 1.937 124.746 122.820 -0.018 0.000 2.498 264 A HA 0.875 5.195 4.320 -0.000 0.000 0.298 264 A C -1.385 176.261 177.584 0.102 0.000 1.075 264 A CA -0.592 51.465 52.037 0.034 0.000 0.714 264 A CB 2.072 20.983 19.000 -0.147 0.000 1.299 264 A HN 0.704 nan 8.150 nan 0.000 0.407 265 A N 0.081 123.013 122.820 0.187 0.000 2.556 265 A HA 0.770 5.090 4.320 -0.000 0.000 0.294 265 A C -1.464 176.142 177.584 0.036 0.000 1.091 265 A CA -0.499 51.584 52.037 0.077 0.000 0.704 265 A CB 1.497 20.456 19.000 -0.067 0.000 1.300 265 A HN 1.514 nan 8.150 nan 0.000 0.406 266 V N 0.957 120.841 119.914 -0.050 0.000 2.483 266 V HA 0.576 4.696 4.120 -0.000 0.000 0.297 266 V C -0.836 175.178 176.094 -0.133 0.000 1.027 266 V CA -0.496 61.707 62.300 -0.162 0.000 0.855 266 V CB 1.493 33.226 31.823 -0.150 0.000 0.995 266 V HN 0.699 nan 8.190 nan 0.000 0.424 267 V N 3.900 123.718 119.914 -0.159 0.000 2.419 267 V HA 0.433 4.553 4.120 -0.000 0.000 0.287 267 V C -0.426 175.588 176.094 -0.134 0.000 1.017 267 V CA -0.319 61.906 62.300 -0.125 0.000 0.844 267 V CB 1.490 33.243 31.823 -0.117 0.000 1.011 267 V HN 0.978 nan 8.190 nan 0.000 0.429 268 C N 4.142 123.373 119.300 -0.115 0.000 2.455 268 C HA 0.676 5.136 4.460 -0.000 0.000 0.320 268 C C 0.369 175.286 174.990 -0.122 0.000 1.226 268 C CA -0.766 58.183 59.018 -0.115 0.000 1.569 268 C CB 1.746 29.429 27.740 -0.095 0.000 2.200 268 C HN 0.690 nan 8.230 nan 0.000 0.491 269 V N 2.771 122.599 119.914 -0.143 0.000 2.732 269 V HA 0.455 4.575 4.120 -0.000 0.000 0.297 269 V C 0.499 176.512 176.094 -0.134 0.000 1.060 269 V CA 0.560 62.752 62.300 -0.180 0.000 1.038 269 V CB 1.868 33.559 31.823 -0.219 0.000 1.003 269 V HN 0.978 nan 8.190 nan 0.000 0.481 270 T N 6.026 120.480 114.554 -0.167 0.000 2.806 270 T HA 0.416 4.766 4.350 -0.000 0.000 0.290 270 T C 0.792 175.435 174.700 -0.095 0.000 0.966 270 T CA -0.359 61.671 62.100 -0.115 0.000 1.060 270 T CB 0.632 69.433 68.868 -0.112 0.000 0.927 270 T HN 0.612 nan 8.240 nan 0.000 0.485 271 L N 4.996 126.228 121.223 0.015 0.000 2.513 271 L HA 0.448 4.788 4.340 -0.000 0.000 0.222 271 L C 0.417 177.370 176.870 0.137 0.000 1.096 271 L CA 0.113 55.037 54.840 0.139 0.000 0.857 271 L CB -0.112 42.020 42.059 0.122 0.000 1.026 271 L HN 0.548 nan 8.230 nan 0.000 0.469 272 L N -4.657 116.600 121.223 0.057 0.000 2.775 272 L HA 0.537 4.877 4.340 -0.000 0.000 0.263 272 L C -1.357 175.516 176.870 0.005 0.000 1.017 272 L CA -0.965 53.904 54.840 0.047 0.000 0.891 272 L CB 1.731 43.819 42.059 0.048 0.000 1.482 272 L HN -0.293 nan 8.230 nan 0.000 0.410 273 N N 1.305 120.007 118.700 0.003 0.000 2.420 273 N HA 0.300 5.040 4.740 -0.000 0.000 0.249 273 N C 0.467 175.967 175.510 -0.016 0.000 1.033 273 N CA -0.390 52.651 53.050 -0.014 0.000 0.944 273 N CB 1.067 39.544 38.487 -0.018 0.000 1.113 273 N HN 0.613 nan 8.380 nan 0.000 0.502 274 R N 3.084 123.569 120.500 -0.026 0.000 2.237 274 R HA 0.038 4.378 4.340 -0.000 0.000 0.219 274 R C 1.166 177.455 176.300 -0.018 0.000 1.080 274 R CA 0.444 56.529 56.100 -0.026 0.000 0.995 274 R CB -0.265 30.010 30.300 -0.041 0.000 0.875 274 R HN 0.643 nan 8.270 nan 0.000 0.462 275 L N 0.696 121.901 121.223 -0.031 0.000 2.465 275 L HA -0.066 4.274 4.340 -0.000 0.000 0.224 275 L C 1.452 178.310 176.870 -0.020 0.000 1.145 275 L CA 0.920 55.739 54.840 -0.035 0.000 0.834 275 L CB -0.080 41.936 42.059 -0.072 0.000 0.944 275 L HN 0.019 nan 8.230 nan 0.000 0.451 276 E N -0.321 119.872 120.200 -0.012 0.000 2.489 276 E HA 0.318 4.668 4.350 -0.000 0.000 0.204 276 E C 0.807 177.413 176.600 0.010 0.000 1.006 276 E CA 0.431 56.830 56.400 -0.002 0.000 0.936 276 E CB 1.431 31.130 29.700 -0.003 0.000 1.002 276 E HN 0.345 nan 8.360 nan 0.000 0.488 277 G N 0.341 109.149 108.800 0.013 0.000 2.316 277 G HA2 0.150 4.110 3.960 -0.000 0.000 0.296 277 G HA3 0.150 4.110 3.960 -0.000 0.000 0.296 277 G C -0.945 173.968 174.900 0.022 0.000 1.399 277 G CA -0.492 44.623 45.100 0.024 0.000 0.833 277 G HN -0.161 nan 8.290 nan 0.000 0.565 278 D N -0.729 119.694 120.400 0.038 0.000 2.531 278 D HA 0.102 4.742 4.640 -0.000 0.000 0.263 278 D C 0.661 177.000 176.300 0.064 0.000 1.057 278 D CA 0.458 54.477 54.000 0.032 0.000 0.909 278 D CB 0.426 41.265 40.800 0.065 0.000 1.236 278 D HN 0.343 nan 8.370 nan 0.000 0.494 279 Q N 0.866 120.719 119.800 0.090 0.000 2.327 279 Q HA 0.307 4.647 4.340 -0.000 0.000 0.254 279 Q C 0.184 176.243 176.000 0.097 0.000 0.952 279 Q CA 0.070 55.942 55.803 0.116 0.000 0.884 279 Q CB 2.083 30.882 28.738 0.101 0.000 1.224 279 Q HN 0.179 nan 8.270 nan 0.000 0.422 280 I N 2.168 122.806 120.570 0.114 0.000 2.256 280 I HA -0.017 4.153 4.170 -0.000 0.000 0.294 280 I C 0.906 177.060 176.117 0.061 0.000 1.127 280 I CA 0.141 61.495 61.300 0.090 0.000 1.247 280 I CB 0.220 38.285 38.000 0.108 0.000 1.460 280 I HN 0.575 nan 8.210 nan 0.000 0.511 281 S N 1.154 116.883 115.700 0.048 0.000 2.559 281 S HA 0.188 4.658 4.470 -0.000 0.000 0.226 281 S C 0.700 175.308 174.600 0.013 0.000 1.000 281 S CA -0.524 57.696 58.200 0.034 0.000 0.948 281 S CB 0.122 63.343 63.200 0.036 0.000 0.870 281 S HN 0.417 nan 8.310 nan 0.000 0.497 282 S N 4.337 120.036 115.700 -0.002 0.000 2.560 282 S HA 0.294 4.764 4.470 -0.000 0.000 0.284 282 S C -2.358 172.208 174.600 -0.057 0.000 1.327 282 S CA -0.501 57.672 58.200 -0.046 0.000 1.055 282 S CB -0.033 63.102 63.200 -0.107 0.000 0.868 282 S HN 0.323 nan 8.310 nan 0.000 0.506 283 P HA -0.033 nan 4.420 nan 0.000 0.265 283 P C 1.060 178.335 177.300 -0.043 0.000 1.187 283 P CA 0.066 63.148 63.100 -0.030 0.000 0.766 283 P CB 0.261 31.939 31.700 -0.036 0.000 0.820 284 H N 3.070 122.095 119.070 -0.074 0.000 2.357 284 H HA -0.236 4.321 4.556 -0.000 0.000 0.296 284 H C 0.717 175.986 175.328 -0.098 0.000 1.108 284 H CA 2.327 58.330 56.048 -0.075 0.000 1.273 284 H CB -0.012 29.721 29.762 -0.049 0.000 1.367 284 H HN 0.354 nan 8.280 nan 0.000 0.498 285 D N 0.126 120.519 120.400 -0.012 0.000 2.117 285 D HA -0.112 4.528 4.640 -0.000 0.000 0.197 285 D C 2.603 178.783 176.300 -0.200 0.000 0.987 285 D CA 1.098 55.055 54.000 -0.072 0.000 0.829 285 D CB -0.303 40.500 40.800 0.005 0.000 0.961 285 D HN 0.253 nan 8.370 nan 0.000 0.460 286 V N 1.085 120.851 119.914 -0.247 0.000 2.261 286 V HA -0.229 3.891 4.120 -0.000 0.000 0.246 286 V C 2.676 178.360 176.094 -0.683 0.000 1.047 286 V CA 1.227 63.266 62.300 -0.434 0.000 1.015 286 V CB -0.583 30.969 31.823 -0.452 0.000 0.642 286 V HN 0.208 nan 8.190 nan 0.000 0.446 287 L N 0.108 120.997 121.223 -0.556 0.000 2.079 287 L HA -0.199 4.141 4.340 -0.000 0.000 0.210 287 L C 2.728 179.418 176.870 -0.301 0.000 1.081 287 L CA 1.627 56.207 54.840 -0.434 0.000 0.752 287 L CB -0.825 41.067 42.059 -0.277 0.000 0.896 287 L HN 0.387 nan 8.230 nan 0.000 0.433 288 A N -0.624 121.980 122.820 -0.361 0.000 1.898 288 A HA -0.219 4.101 4.320 -0.000 0.000 0.216 288 A C 2.342 179.832 177.584 -0.157 0.000 1.181 288 A CA 1.580 53.454 52.037 -0.272 0.000 0.620 288 A CB -0.428 18.378 19.000 -0.323 0.000 0.819 288 A HN 0.381 nan 8.150 nan 0.000 0.442 289 E N -0.521 119.590 120.200 -0.148 0.000 2.072 289 E HA -0.176 4.174 4.350 -0.000 0.000 0.191 289 E C 1.770 178.385 176.600 0.025 0.000 0.985 289 E CA 1.153 57.517 56.400 -0.060 0.000 0.801 289 E CB -0.385 29.294 29.700 -0.036 0.000 0.750 289 E HN 0.808 nan 8.360 nan 0.000 0.452 290 Y N 0.616 120.826 120.300 -0.151 0.000 2.114 290 Y HA -0.259 4.291 4.550 -0.000 0.000 0.282 290 Y C 2.645 178.415 175.900 -0.217 0.000 1.165 290 Y CA 1.147 59.138 58.100 -0.183 0.000 1.148 290 Y CB -0.049 38.326 38.460 -0.142 0.000 0.972 290 Y HN 0.177 nan 8.280 nan 0.000 0.504 291 Q N -0.153 119.644 119.800 -0.004 0.000 2.436 291 Q HA -0.179 4.161 4.340 -0.000 0.000 0.209 291 Q C 1.807 177.732 176.000 -0.126 0.000 0.965 291 Q CA 0.811 56.567 55.803 -0.078 0.000 0.910 291 Q CB 0.067 28.759 28.738 -0.076 0.000 0.980 291 Q HN 0.569 nan 8.270 nan 0.000 0.491 292 Q N -0.810 118.907 119.800 -0.138 0.000 2.398 292 Q HA 0.006 4.346 4.340 -0.000 0.000 0.204 292 Q C 1.575 177.438 176.000 -0.228 0.000 0.932 292 Q CA 0.244 55.941 55.803 -0.178 0.000 0.916 292 Q CB 0.336 28.976 28.738 -0.164 0.000 1.024 292 Q HN 0.240 nan 8.270 nan 0.000 0.504 293 R N 0.512 120.819 120.500 -0.322 0.000 2.070 293 R HA -0.120 4.220 4.340 -0.000 0.000 0.233 293 R C -0.742 175.333 176.300 -0.374 0.000 1.137 293 R CA 1.462 57.190 56.100 -0.619 0.000 0.945 293 R CB -1.241 28.318 30.300 -1.236 0.000 0.845 293 R HN 0.200 nan 8.270 nan 0.000 0.430 294 P HA -0.140 nan 4.420 nan 0.000 0.217 294 P C 0.839 178.100 177.300 -0.065 0.000 1.150 294 P CA 1.278 64.293 63.100 -0.142 0.000 0.832 294 P CB -0.009 31.587 31.700 -0.173 0.000 0.787 295 Q N -0.363 119.388 119.800 -0.082 0.000 2.061 295 Q HA -0.184 4.156 4.340 -0.000 0.000 0.204 295 Q C 2.313 178.381 176.000 0.113 0.000 0.984 295 Q CA 1.493 57.335 55.803 0.065 0.000 0.846 295 Q CB -0.431 28.309 28.738 0.004 0.000 0.902 295 Q HN 0.321 nan 8.270 nan 0.000 0.421 296 R N 0.454 120.939 120.500 -0.025 0.000 2.075 296 R HA -0.091 4.249 4.340 -0.000 0.000 0.232 296 R C 2.448 178.903 176.300 0.258 0.000 1.126 296 R CA 0.976 57.148 56.100 0.119 0.000 0.963 296 R CB -0.494 29.889 30.300 0.138 0.000 0.858 296 R HN 0.255 nan 8.270 nan 0.000 0.435 297 L N 0.879 122.267 121.223 0.275 0.000 1.989 297 L HA -0.201 4.139 4.340 -0.000 0.000 0.211 297 L C 2.154 179.153 176.870 0.215 0.000 1.071 297 L CA 1.435 56.424 54.840 0.248 0.000 0.749 297 L CB -0.203 42.012 42.059 0.261 0.000 0.890 297 L HN -0.008 nan 8.230 nan 0.000 0.431 298 V N 0.228 120.261 119.914 0.199 0.000 2.407 298 V HA -0.201 3.919 4.120 -0.000 0.000 0.248 298 V C 2.656 178.942 176.094 0.320 0.000 1.055 298 V CA 1.674 64.113 62.300 0.231 0.000 1.049 298 V CB -1.360 30.556 31.823 0.155 0.000 0.662 298 V HN 0.688 nan 8.190 nan 0.000 0.455 299 G N -1.084 107.933 108.800 0.362 0.000 2.440 299 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.218 299 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.218 299 G C 1.528 176.530 174.900 0.168 0.000 1.154 299 G CA 0.685 45.966 45.100 0.301 0.000 0.767 299 G HN 0.409 nan 8.290 nan 0.000 0.552 300 Q N -0.296 119.617 119.800 0.188 0.000 2.030 300 Q HA -0.119 4.221 4.340 -0.000 0.000 0.204 300 Q C 2.249 178.310 176.000 0.100 0.000 0.986 300 Q CA 1.284 57.160 55.803 0.121 0.000 0.843 300 Q CB -0.630 28.182 28.738 0.123 0.000 0.904 300 Q HN 0.561 nan 8.270 nan 0.000 0.420 301 F N 0.845 120.803 119.950 0.013 0.000 2.091 301 F HA -0.247 4.280 4.527 -0.000 0.000 0.299 301 F C 2.115 177.857 175.800 -0.097 0.000 1.103 301 F CA 1.474 59.467 58.000 -0.012 0.000 1.228 301 F CB -0.257 38.752 39.000 0.015 0.000 0.984 301 F HN 0.012 nan 8.300 nan 0.000 0.477 302 I N 0.206 120.662 120.570 -0.190 0.000 2.226 302 I HA -0.298 3.872 4.170 -0.000 0.000 0.245 302 I C 2.528 178.405 176.117 -0.400 0.000 1.100 302 I CA 1.472 62.413 61.300 -0.599 0.000 1.374 302 I CB -0.592 37.081 38.000 -0.546 0.000 1.057 302 I HN 0.136 nan 8.210 nan 0.000 0.413 303 K N 0.952 121.234 120.400 -0.195 0.000 2.032 303 K HA -0.248 4.072 4.320 -0.000 0.000 0.209 303 K C 2.144 178.674 176.600 -0.116 0.000 1.048 303 K CA 1.651 57.869 56.287 -0.116 0.000 0.927 303 K CB 0.072 32.536 32.500 -0.060 0.000 0.712 303 K HN -0.006 nan 8.250 nan 0.000 0.441 304 K N 0.382 120.696 120.400 -0.143 0.000 2.057 304 K HA -0.031 4.289 4.320 -0.000 0.000 0.206 304 K C 2.021 178.533 176.600 -0.148 0.000 1.050 304 K CA 1.066 57.278 56.287 -0.125 0.000 0.935 304 K CB -0.099 32.336 32.500 -0.108 0.000 0.715 304 K HN 0.029 nan 8.250 nan 0.000 0.439 305 R N 0.405 120.747 120.500 -0.264 0.000 2.105 305 R HA -0.038 4.302 4.340 -0.000 0.000 0.239 305 R C 2.196 178.497 176.300 0.001 0.000 1.135 305 R CA 1.115 57.124 56.100 -0.152 0.000 0.967 305 R CB -0.708 29.502 30.300 -0.150 0.000 0.861 305 R HN 0.265 nan 8.270 nan 0.000 0.442 306 L N -0.358 120.861 121.223 -0.007 0.000 2.240 306 L HA -0.014 4.326 4.340 -0.000 0.000 0.211 306 L C 2.439 179.321 176.870 0.019 0.000 1.106 306 L CA 0.667 55.539 54.840 0.053 0.000 0.793 306 L CB -0.264 41.831 42.059 0.059 0.000 0.927 306 L HN 0.144 nan 8.230 nan 0.000 0.446 307 M N -0.827 118.765 119.600 -0.013 0.000 2.132 307 M HA -0.130 4.350 4.480 -0.000 0.000 0.263 307 M C 1.087 177.384 176.300 -0.005 0.000 1.065 307 M CA 1.272 56.565 55.300 -0.012 0.000 1.122 307 M CB -0.097 32.489 32.600 -0.023 0.000 1.365 307 M HN 0.257 nan 8.290 nan 0.000 0.411 308 Q N 0.000 119.795 119.800 -0.008 0.000 2.315 308 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 308 Q CA 0.000 55.802 55.803 -0.002 0.000 1.022 308 Q CB 0.000 28.734 28.738 -0.006 0.000 1.108 308 Q HN 0.000 nan 8.270 nan 0.000 0.481