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 1moj_1_B DATA FIRST_RESID 7 DATA SEQUENCE ARATAGEVEG SDALRMDADR AEQCVDALNA DLANVYVLYH QLKKHHWNVE DATA SEQUENCE GAEFRDLHLF LGEAAETAEE VADELAERVQ ALGGVPHASP ETLQAEASVD DATA SEQUENCE VEDEDVYDIR TSLANDMAIY GDIIEATREH TELAENLGDH ATAHMLREGL DATA SEQUENCE IELEDDAHHI EHYLEDDTLV TQGAL 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 7 A HA 0.000 nan 4.320 nan 0.000 0.244 7 A C 0.000 177.584 177.584 -0.000 0.000 1.274 7 A CA 0.000 52.038 52.037 0.001 0.000 0.836 7 A CB 0.000 19.001 19.000 0.002 0.000 0.831 8 R N 0.500 120.999 120.500 -0.000 0.000 2.119 8 R HA 0.411 4.750 4.340 -0.001 0.000 0.222 8 R C 0.596 176.895 176.300 -0.003 0.000 1.088 8 R CA 1.750 57.849 56.100 -0.002 0.000 0.984 8 R CB 0.082 30.381 30.300 -0.002 0.000 0.884 8 R HN 1.402 nan 8.270 nan 0.000 0.447 9 A N -0.491 122.327 122.820 -0.002 0.000 2.549 9 A HA 0.488 4.808 4.320 -0.001 0.000 0.297 9 A C -1.189 176.394 177.584 -0.002 0.000 1.061 9 A CA -0.631 51.404 52.037 -0.004 0.000 0.690 9 A CB 1.976 20.971 19.000 -0.007 0.000 1.287 9 A HN 0.102 nan 8.150 nan 0.000 0.402 10 T N 1.978 116.531 114.554 -0.002 0.000 2.795 10 T HA 0.593 4.942 4.350 -0.001 0.000 0.282 10 T C 0.546 175.248 174.700 0.003 0.000 0.980 10 T CA 0.415 62.516 62.100 0.002 0.000 1.012 10 T CB 1.263 70.132 68.868 0.002 0.000 0.936 10 T HN 1.405 nan 8.240 nan 0.000 0.457 11 A N 2.131 124.957 122.820 0.010 0.000 2.567 11 A HA 0.492 4.811 4.320 -0.001 0.000 0.240 11 A C 1.588 179.183 177.584 0.018 0.000 1.053 11 A CA 0.578 52.625 52.037 0.018 0.000 0.755 11 A CB -0.804 18.220 19.000 0.040 0.000 0.978 11 A HN 1.558 nan 8.150 nan 0.000 0.507 12 G N 1.641 110.447 108.800 0.009 0.000 2.232 12 G HA2 -0.187 3.772 3.960 -0.001 0.000 0.226 12 G HA3 -0.187 3.772 3.960 -0.001 0.000 0.226 12 G C 0.065 174.962 174.900 -0.004 0.000 0.996 12 G CA 0.355 45.461 45.100 0.010 0.000 0.626 12 G HN 0.855 nan 8.290 nan 0.000 0.509 13 E N -0.069 120.125 120.200 -0.009 0.000 2.301 13 E HA 0.555 4.904 4.350 -0.001 0.000 0.275 13 E C -0.543 176.045 176.600 -0.021 0.000 1.030 13 E CA -0.451 55.942 56.400 -0.012 0.000 0.852 13 E CB 2.349 32.044 29.700 -0.008 0.000 1.060 13 E HN 0.146 nan 8.360 nan 0.000 0.401 14 V N 2.936 122.838 119.914 -0.020 0.000 2.447 14 V HA 0.050 4.170 4.120 -0.001 0.000 0.292 14 V C 0.471 176.553 176.094 -0.020 0.000 1.021 14 V CA -0.527 61.758 62.300 -0.025 0.000 0.850 14 V CB 1.216 33.021 31.823 -0.030 0.000 1.005 14 V HN 0.829 nan 8.190 nan 0.000 0.426 15 E N 3.879 124.068 120.200 -0.019 0.000 2.474 15 E HA 0.459 4.808 4.350 -0.001 0.000 0.195 15 E C 0.977 177.568 176.600 -0.016 0.000 1.039 15 E CA 0.449 56.840 56.400 -0.015 0.000 0.881 15 E CB 0.790 30.483 29.700 -0.013 0.000 0.970 15 E HN 0.975 nan 8.360 nan 0.000 0.486 16 G N 0.997 109.786 108.800 -0.019 0.000 2.645 16 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.239 16 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.239 16 G C -0.408 174.482 174.900 -0.016 0.000 1.331 16 G CA -0.112 44.977 45.100 -0.019 0.000 0.890 16 G HN 0.536 nan 8.290 nan 0.000 0.572 17 S N -1.075 114.617 115.700 -0.014 0.000 2.603 17 S HA 0.557 5.026 4.470 -0.001 0.000 0.274 17 S C 0.344 174.938 174.600 -0.009 0.000 1.168 17 S CA 0.510 58.703 58.200 -0.011 0.000 0.963 17 S CB 1.673 64.866 63.200 -0.012 0.000 1.078 17 S HN 0.559 nan 8.310 nan 0.000 0.477 18 D N 3.356 123.752 120.400 -0.007 0.000 2.162 18 D HA 0.048 4.687 4.640 -0.001 0.000 0.203 18 D C 2.146 178.443 176.300 -0.005 0.000 0.967 18 D CA 1.383 55.379 54.000 -0.006 0.000 0.840 18 D CB -0.229 40.568 40.800 -0.005 0.000 0.972 18 D HN 0.649 nan 8.370 nan 0.000 0.482 19 A N 1.040 123.857 122.820 -0.005 0.000 1.883 19 A HA -0.118 4.201 4.320 -0.001 0.000 0.217 19 A C 2.158 179.739 177.584 -0.003 0.000 1.186 19 A CA 0.994 53.029 52.037 -0.004 0.000 0.624 19 A CB -0.703 18.294 19.000 -0.004 0.000 0.822 19 A HN 0.231 nan 8.150 nan 0.000 0.444 20 L N -1.321 119.899 121.223 -0.005 0.000 2.611 20 L HA 0.106 4.445 4.340 -0.001 0.000 0.229 20 L C 0.133 177.001 176.870 -0.003 0.000 1.137 20 L CA -0.398 54.440 54.840 -0.004 0.000 0.901 20 L CB -0.126 41.930 42.059 -0.005 0.000 1.098 20 L HN 0.253 nan 8.230 nan 0.000 0.456 21 R N 0.599 121.097 120.500 -0.004 0.000 3.251 21 R HA -0.196 4.143 4.340 -0.001 0.000 0.249 21 R C -0.387 175.909 176.300 -0.006 0.000 0.949 21 R CA 0.682 56.779 56.100 -0.004 0.000 0.645 21 R CB -1.784 28.516 30.300 -0.000 0.000 1.065 21 R HN 0.286 nan 8.270 nan 0.000 0.452 22 M N 1.827 121.421 119.600 -0.010 0.000 2.053 22 M HA 0.204 4.684 4.480 -0.001 0.000 0.297 22 M C -0.467 175.824 176.300 -0.015 0.000 0.921 22 M CA -0.991 54.300 55.300 -0.014 0.000 0.918 22 M CB 1.100 33.690 32.600 -0.018 0.000 1.499 22 M HN 0.197 nan 8.290 nan 0.000 0.422 23 D N 3.220 123.612 120.400 -0.014 0.000 2.382 23 D HA 0.139 4.778 4.640 -0.001 0.000 0.240 23 D C 0.681 176.972 176.300 -0.016 0.000 1.146 23 D CA 0.187 54.179 54.000 -0.013 0.000 0.897 23 D CB 0.865 41.658 40.800 -0.011 0.000 1.197 23 D HN 0.693 nan 8.370 nan 0.000 0.432 24 A N 1.706 124.517 122.820 -0.015 0.000 1.978 24 A HA -0.266 4.054 4.320 -0.001 0.000 0.220 24 A C 1.851 179.424 177.584 -0.018 0.000 1.170 24 A CA 1.814 53.841 52.037 -0.017 0.000 0.636 24 A CB -0.547 18.445 19.000 -0.014 0.000 0.810 24 A HN 0.788 nan 8.150 nan 0.000 0.448 25 D N -0.552 119.839 120.400 -0.016 0.000 2.078 25 D HA -0.205 4.434 4.640 -0.001 0.000 0.193 25 D C 2.199 178.487 176.300 -0.020 0.000 0.990 25 D CA 1.600 55.591 54.000 -0.016 0.000 0.827 25 D CB -0.190 40.602 40.800 -0.012 0.000 0.975 25 D HN 0.479 nan 8.370 nan 0.000 0.451 26 R N 0.253 120.740 120.500 -0.022 0.000 2.081 26 R HA -0.097 4.242 4.340 -0.001 0.000 0.235 26 R C 2.350 178.629 176.300 -0.034 0.000 1.131 26 R CA 1.487 57.570 56.100 -0.028 0.000 0.960 26 R CB -0.283 30.000 30.300 -0.028 0.000 0.856 26 R HN 0.148 nan 8.270 nan 0.000 0.436 27 A N 0.886 123.687 122.820 -0.032 0.000 1.908 27 A HA -0.246 4.073 4.320 -0.001 0.000 0.218 27 A C 2.019 179.578 177.584 -0.042 0.000 1.181 27 A CA 1.791 53.806 52.037 -0.036 0.000 0.627 27 A CB -0.657 18.325 19.000 -0.031 0.000 0.818 27 A HN 0.615 nan 8.150 nan 0.000 0.445 28 E N -0.379 119.800 120.200 -0.036 0.000 2.204 28 E HA -0.245 4.105 4.350 -0.001 0.000 0.195 28 E C 2.096 178.669 176.600 -0.046 0.000 0.990 28 E CA 1.253 57.630 56.400 -0.038 0.000 0.821 28 E CB -0.141 29.543 29.700 -0.028 0.000 0.750 28 E HN 0.782 nan 8.360 nan 0.000 0.477 29 Q N -0.474 119.299 119.800 -0.044 0.000 2.079 29 Q HA -0.148 4.191 4.340 -0.001 0.000 0.200 29 Q C 2.415 178.368 176.000 -0.079 0.000 0.974 29 Q CA 1.560 57.333 55.803 -0.050 0.000 0.840 29 Q CB -0.029 28.685 28.738 -0.039 0.000 0.898 29 Q HN 0.428 nan 8.270 nan 0.000 0.430 30 C N -0.270 118.983 119.300 -0.078 0.000 2.466 30 C HA -0.047 4.412 4.460 -0.001 0.000 0.278 30 C C 2.703 177.622 174.990 -0.117 0.000 1.288 30 C CA 0.171 59.129 59.018 -0.100 0.000 1.722 30 C CB -0.690 27.006 27.740 -0.074 0.000 2.017 30 C HN 0.317 nan 8.230 nan 0.000 0.488 31 V N 1.542 121.402 119.914 -0.091 0.000 2.332 31 V HA -0.230 3.890 4.120 -0.001 0.000 0.248 31 V C 2.119 178.149 176.094 -0.106 0.000 1.055 31 V CA 2.291 64.535 62.300 -0.093 0.000 1.038 31 V CB -0.702 31.075 31.823 -0.076 0.000 0.651 31 V HN 0.495 nan 8.190 nan 0.000 0.450 32 D N 0.323 120.667 120.400 -0.093 0.000 2.117 32 D HA -0.135 4.504 4.640 -0.001 0.000 0.197 32 D C 2.216 178.443 176.300 -0.122 0.000 0.987 32 D CA 1.707 55.662 54.000 -0.075 0.000 0.829 32 D CB -0.343 40.428 40.800 -0.049 0.000 0.961 32 D HN 0.461 nan 8.370 nan 0.000 0.460 33 A N 0.655 123.326 122.820 -0.248 0.000 1.873 33 A HA -0.095 4.225 4.320 -0.001 0.000 0.215 33 A C 2.427 179.775 177.584 -0.393 0.000 1.186 33 A CA 0.861 52.544 52.037 -0.591 0.000 0.616 33 A CB -0.802 17.634 19.000 -0.939 0.000 0.823 33 A HN 0.188 nan 8.150 nan 0.000 0.442 34 L N -0.325 120.761 121.223 -0.227 0.000 2.046 34 L HA -0.200 4.140 4.340 -0.001 0.000 0.208 34 L C 2.379 179.222 176.870 -0.045 0.000 1.077 34 L CA 1.292 56.072 54.840 -0.100 0.000 0.747 34 L CB -0.632 41.376 42.059 -0.085 0.000 0.896 34 L HN 0.361 nan 8.230 nan 0.000 0.432 35 N N 0.060 118.719 118.700 -0.068 0.000 2.244 35 N HA -0.118 4.622 4.740 -0.001 0.000 0.183 35 N C 1.812 177.414 175.510 0.153 0.000 1.016 35 N CA 1.383 54.401 53.050 -0.052 0.000 0.866 35 N CB -0.059 38.269 38.487 -0.264 0.000 0.980 35 N HN 0.319 nan 8.380 nan 0.000 0.430 36 A N 0.905 123.797 122.820 0.120 0.000 1.873 36 A HA -0.123 4.196 4.320 -0.001 0.000 0.215 36 A C 1.845 179.519 177.584 0.151 0.000 1.186 36 A CA 1.519 53.649 52.037 0.156 0.000 0.616 36 A CB -0.425 18.661 19.000 0.143 0.000 0.823 36 A HN 0.129 nan 8.150 nan 0.000 0.442 37 D N -0.390 120.098 120.400 0.147 0.000 2.117 37 D HA -0.128 4.511 4.640 -0.001 0.000 0.197 37 D C 1.855 178.205 176.300 0.084 0.000 0.987 37 D CA 1.262 55.338 54.000 0.127 0.000 0.829 37 D CB -0.442 40.447 40.800 0.147 0.000 0.961 37 D HN 0.331 nan 8.370 nan 0.000 0.460 38 L N 1.079 122.354 121.223 0.086 0.000 2.012 38 L HA -0.138 4.201 4.340 -0.001 0.000 0.210 38 L C 2.094 179.063 176.870 0.165 0.000 1.073 38 L CA 2.062 56.955 54.840 0.089 0.000 0.748 38 L CB -0.980 41.139 42.059 0.101 0.000 0.891 38 L HN -0.008 nan 8.230 nan 0.000 0.431 39 A N -0.368 122.577 122.820 0.208 0.000 1.883 39 A HA -0.234 4.085 4.320 -0.001 0.000 0.217 39 A C 2.116 179.781 177.584 0.134 0.000 1.186 39 A CA 1.971 54.116 52.037 0.179 0.000 0.624 39 A CB -0.837 18.225 19.000 0.104 0.000 0.822 39 A HN 0.642 nan 8.150 nan 0.000 0.444 40 N N 0.047 118.803 118.700 0.093 0.000 2.142 40 N HA -0.102 4.638 4.740 -0.001 0.000 0.186 40 N C 1.707 177.237 175.510 0.033 0.000 1.023 40 N CA 1.565 54.647 53.050 0.053 0.000 0.852 40 N CB -0.536 37.971 38.487 0.033 0.000 0.998 40 N HN 0.263 nan 8.380 nan 0.000 0.424 41 V N 0.340 120.265 119.914 0.018 0.000 2.407 41 V HA -0.205 3.914 4.120 -0.001 0.000 0.248 41 V C 1.811 177.901 176.094 -0.007 0.000 1.055 41 V CA 1.280 63.550 62.300 -0.050 0.000 1.049 41 V CB -0.652 31.105 31.823 -0.109 0.000 0.662 41 V HN 0.326 nan 8.190 nan 0.000 0.455 42 Y N 0.172 120.498 120.300 0.044 0.000 2.373 42 Y HA -0.156 4.394 4.550 -0.001 0.000 0.293 42 Y C 2.421 178.447 175.900 0.211 0.000 1.129 42 Y CA 1.151 59.319 58.100 0.113 0.000 1.226 42 Y CB 0.272 38.797 38.460 0.108 0.000 1.000 42 Y HN 0.280 nan 8.280 nan 0.000 0.549 43 V N -1.859 118.225 119.914 0.285 0.000 2.453 43 V HA -0.223 3.897 4.120 -0.001 0.000 0.247 43 V C 2.054 178.209 176.094 0.103 0.000 1.048 43 V CA 1.399 63.813 62.300 0.189 0.000 1.049 43 V CB -1.005 30.870 31.823 0.088 0.000 0.672 43 V HN 0.361 nan 8.190 nan 0.000 0.457 44 L N 0.384 121.623 121.223 0.027 0.000 2.012 44 L HA -0.124 4.216 4.340 -0.001 0.000 0.210 44 L C 2.495 179.308 176.870 -0.095 0.000 1.073 44 L CA 2.737 57.513 54.840 -0.107 0.000 0.748 44 L CB -1.255 40.664 42.059 -0.234 0.000 0.891 44 L HN 0.538 nan 8.230 nan 0.000 0.431 45 Y N -0.279 119.940 120.300 -0.134 0.000 2.081 45 Y HA -0.337 4.213 4.550 -0.001 0.000 0.280 45 Y C 2.696 178.453 175.900 -0.238 0.000 1.163 45 Y CA 2.414 60.401 58.100 -0.188 0.000 1.135 45 Y CB -0.712 37.662 38.460 -0.144 0.000 0.970 45 Y HN 0.382 nan 8.280 nan 0.000 0.498 46 H N -0.215 118.727 119.070 -0.213 0.000 2.421 46 H HA -0.158 4.398 4.556 -0.001 0.000 0.298 46 H C 2.178 177.249 175.328 -0.428 0.000 1.087 46 H CA 1.872 57.698 56.048 -0.371 0.000 1.330 46 H CB -0.179 29.549 29.762 -0.057 0.000 1.388 46 H HN 0.560 nan 8.280 nan 0.000 0.526 47 Q N 0.440 120.099 119.800 -0.235 0.000 2.187 47 Q HA -0.025 4.314 4.340 -0.001 0.000 0.199 47 Q C 2.369 178.006 176.000 -0.605 0.000 0.957 47 Q CA 0.369 55.937 55.803 -0.391 0.000 0.857 47 Q CB 0.168 28.742 28.738 -0.273 0.000 0.929 47 Q HN 0.362 nan 8.270 nan 0.000 0.453 48 L N 0.342 121.298 121.223 -0.445 0.000 2.093 48 L HA -0.179 4.161 4.340 -0.001 0.000 0.208 48 L C 2.399 178.969 176.870 -0.501 0.000 1.085 48 L CA 1.021 55.643 54.840 -0.363 0.000 0.755 48 L CB -0.333 41.556 42.059 -0.284 0.000 0.904 48 L HN 0.145 nan 8.230 nan 0.000 0.435 49 K N 0.324 120.256 120.400 -0.780 0.000 2.026 49 K HA -0.230 4.090 4.320 -0.001 0.000 0.208 49 K C 2.072 177.853 176.600 -1.365 0.000 1.048 49 K CA 1.216 56.800 56.287 -1.172 0.000 0.929 49 K CB -0.211 31.421 32.500 -1.448 0.000 0.713 49 K HN 0.241 nan 8.250 nan 0.000 0.439 50 K N 0.995 120.827 120.400 -0.945 0.000 2.020 50 K HA -0.209 4.110 4.320 -0.001 0.000 0.212 50 K C 1.900 178.471 176.600 -0.049 0.000 1.050 50 K CA 1.748 57.808 56.287 -0.378 0.000 0.929 50 K CB -0.185 32.193 32.500 -0.204 0.000 0.714 50 K HN 0.377 nan 8.250 nan 0.000 0.443 51 H N -2.058 116.958 119.070 -0.090 0.000 2.423 51 H HA -0.131 4.425 4.556 -0.001 0.000 0.297 51 H C 2.213 177.582 175.328 0.068 0.000 1.075 51 H CA 1.100 57.160 56.048 0.021 0.000 1.342 51 H CB -0.076 29.703 29.762 0.029 0.000 1.395 51 H HN 0.459 nan 8.280 nan 0.000 0.530 52 H N 0.246 119.294 119.070 -0.037 0.000 2.321 52 H HA -0.189 4.366 4.556 -0.001 0.000 0.300 52 H C 1.717 177.211 175.328 0.276 0.000 1.087 52 H CA 1.891 57.924 56.048 -0.025 0.000 1.319 52 H CB -0.264 29.299 29.762 -0.332 0.000 1.379 52 H HN 0.334 nan 8.280 nan 0.000 0.501 53 W N 0.849 122.213 121.300 0.108 0.000 2.381 53 W HA -0.058 4.602 4.660 -0.001 0.000 0.301 53 W C 1.790 178.338 176.519 0.048 0.000 1.205 53 W CA 0.839 58.210 57.345 0.045 0.000 1.285 53 W CB -0.858 28.643 29.460 0.069 0.000 1.133 53 W HN 0.366 nan 8.180 nan 0.000 0.521 54 N N 0.017 118.910 118.700 0.321 0.000 2.424 54 N HA -0.048 4.692 4.740 -0.001 0.000 0.178 54 N C 0.607 176.194 175.510 0.129 0.000 1.060 54 N CA 0.197 53.362 53.050 0.190 0.000 0.901 54 N CB 0.027 38.626 38.487 0.187 0.000 0.979 54 N HN -0.173 nan 8.380 nan 0.000 0.451 55 V N 2.066 122.089 119.914 0.181 0.000 2.584 55 V HA -0.092 4.027 4.120 -0.001 0.000 0.303 55 V C 0.045 176.229 176.094 0.150 0.000 1.035 55 V CA 0.672 63.073 62.300 0.169 0.000 1.172 55 V CB 0.040 31.994 31.823 0.220 0.000 0.896 55 V HN 0.187 nan 8.190 nan 0.000 0.486 56 E N 4.169 124.412 120.200 0.072 0.000 2.410 56 E HA 0.826 5.176 4.350 -0.001 0.000 0.269 56 E C -0.010 176.626 176.600 0.060 0.000 0.937 56 E CA -0.333 56.038 56.400 -0.047 0.000 0.793 56 E CB 2.108 31.737 29.700 -0.119 0.000 1.314 56 E HN 1.195 nan 8.360 nan 0.000 0.447 57 G N -0.233 108.585 108.800 0.031 0.000 2.434 57 G HA2 0.024 3.983 3.960 -0.001 0.000 0.671 57 G HA3 0.024 3.983 3.960 -0.001 0.000 0.671 57 G C 0.422 175.417 174.900 0.159 0.000 1.280 57 G CA -0.213 44.934 45.100 0.079 0.000 0.975 57 G HN 0.625 nan 8.290 nan 0.000 0.510 58 A N -0.530 122.353 122.820 0.106 0.000 1.986 58 A HA 0.098 4.417 4.320 -0.001 0.000 0.220 58 A C 1.709 179.359 177.584 0.111 0.000 1.171 58 A CA 2.569 54.667 52.037 0.101 0.000 0.640 58 A CB -0.357 18.680 19.000 0.062 0.000 0.811 58 A HN 1.461 nan 8.150 nan 0.000 0.451 59 E N -0.567 119.697 120.200 0.106 0.000 2.734 59 E HA 0.094 4.444 4.350 -0.001 0.000 0.211 59 E C 0.862 177.482 176.600 0.032 0.000 0.991 59 E CA -0.196 56.240 56.400 0.060 0.000 1.065 59 E CB -1.069 28.662 29.700 0.052 0.000 1.047 59 E HN 0.602 nan 8.360 nan 0.000 0.470 60 F N 1.999 121.955 119.950 0.010 0.000 2.126 60 F HA -0.020 4.506 4.527 -0.001 0.000 0.299 60 F C 2.214 178.049 175.800 0.059 0.000 1.096 60 F CA 1.288 59.297 58.000 0.015 0.000 1.255 60 F CB -0.165 38.830 39.000 -0.009 0.000 0.997 60 F HN -0.032 nan 8.300 nan 0.000 0.479 61 R N 0.459 120.108 120.500 -1.418 0.000 2.081 61 R HA -0.199 4.141 4.340 -0.001 0.000 0.235 61 R C 1.987 178.088 176.300 -0.332 0.000 1.131 61 R CA 2.073 57.493 56.100 -1.132 0.000 0.960 61 R CB -0.799 29.010 30.300 -0.817 0.000 0.856 61 R HN 0.519 nan 8.270 nan 0.000 0.436 62 D N -0.077 120.214 120.400 -0.181 0.000 2.144 62 D HA -0.129 4.511 4.640 -0.001 0.000 0.200 62 D C 2.013 178.360 176.300 0.078 0.000 0.978 62 D CA 0.932 54.932 54.000 0.000 0.000 0.833 62 D CB 0.062 40.897 40.800 0.058 0.000 0.961 62 D HN 0.229 nan 8.370 nan 0.000 0.470 63 L N -0.701 120.523 121.223 0.001 0.000 2.109 63 L HA -0.087 4.253 4.340 -0.001 0.000 0.207 63 L C 2.359 179.327 176.870 0.162 0.000 1.086 63 L CA 1.035 55.880 54.840 0.008 0.000 0.760 63 L CB -0.519 41.469 42.059 -0.118 0.000 0.910 63 L HN 0.227 nan 8.230 nan 0.000 0.437 64 H N 0.429 119.514 119.070 0.026 0.000 2.319 64 H HA -0.188 4.367 4.556 -0.001 0.000 0.299 64 H C 2.114 177.575 175.328 0.222 0.000 1.092 64 H CA 1.923 58.028 56.048 0.094 0.000 1.302 64 H CB -0.086 29.653 29.762 -0.038 0.000 1.373 64 H HN 0.151 nan 8.280 nan 0.000 0.497 65 L N -1.079 120.211 121.223 0.111 0.000 2.056 65 L HA -0.118 4.222 4.340 -0.001 0.000 0.207 65 L C 2.330 179.223 176.870 0.038 0.000 1.078 65 L CA 1.229 56.100 54.840 0.051 0.000 0.749 65 L CB -0.574 41.530 42.059 0.076 0.000 0.901 65 L HN 0.279 nan 8.230 nan 0.000 0.433 66 F N 0.988 120.936 119.950 -0.005 0.000 2.075 66 F HA -0.206 4.321 4.527 -0.001 0.000 0.297 66 F C 2.191 177.969 175.800 -0.037 0.000 1.113 66 F CA 1.526 59.517 58.000 -0.015 0.000 1.218 66 F CB -0.327 38.721 39.000 0.079 0.000 0.984 66 F HN -0.148 nan 8.300 nan 0.000 0.472 67 L N 0.121 121.225 121.223 -0.197 0.000 2.083 67 L HA -0.142 4.198 4.340 -0.001 0.000 0.209 67 L C 2.795 179.409 176.870 -0.426 0.000 1.083 67 L CA 1.284 55.950 54.840 -0.290 0.000 0.752 67 L CB -1.557 40.521 42.059 0.031 0.000 0.899 67 L HN 0.391 nan 8.230 nan 0.000 0.433 68 G N -0.395 108.135 108.800 -0.451 0.000 2.418 68 G HA2 -0.228 3.732 3.960 -0.001 0.000 0.217 68 G HA3 -0.228 3.732 3.960 -0.001 0.000 0.217 68 G C 1.435 176.060 174.900 -0.457 0.000 1.158 68 G CA 0.538 45.161 45.100 -0.793 0.000 0.771 68 G HN 0.408 nan 8.290 nan 0.000 0.545 69 E N 0.463 120.451 120.200 -0.353 0.000 2.106 69 E HA 0.036 4.385 4.350 -0.001 0.000 0.192 69 E C 2.896 179.312 176.600 -0.306 0.000 0.984 69 E CA 0.643 56.879 56.400 -0.273 0.000 0.806 69 E CB -0.135 29.436 29.700 -0.216 0.000 0.750 69 E HN 0.409 nan 8.360 nan 0.000 0.458 70 A N 1.512 124.046 122.820 -0.477 0.000 1.898 70 A HA -0.094 4.225 4.320 -0.001 0.000 0.216 70 A C 2.386 179.851 177.584 -0.199 0.000 1.181 70 A CA 1.596 53.409 52.037 -0.374 0.000 0.620 70 A CB -0.598 18.073 19.000 -0.549 0.000 0.819 70 A HN 0.289 nan 8.150 nan 0.000 0.442 71 A N -0.317 122.347 122.820 -0.260 0.000 1.877 71 A HA -0.190 4.129 4.320 -0.001 0.000 0.216 71 A C 2.030 179.611 177.584 -0.005 0.000 1.186 71 A CA 1.832 53.767 52.037 -0.170 0.000 0.620 71 A CB -0.599 18.168 19.000 -0.388 0.000 0.822 71 A HN 0.666 nan 8.150 nan 0.000 0.443 72 E N -0.818 119.327 120.200 -0.091 0.000 2.085 72 E HA -0.185 4.165 4.350 -0.001 0.000 0.194 72 E C 1.985 178.544 176.600 -0.069 0.000 0.994 72 E CA 1.761 58.126 56.400 -0.058 0.000 0.801 72 E CB -0.186 29.461 29.700 -0.088 0.000 0.743 72 E HN 0.546 nan 8.360 nan 0.000 0.453 73 T N 0.367 114.875 114.554 -0.077 0.000 2.708 73 T HA -0.140 4.209 4.350 -0.001 0.000 0.266 73 T C 1.817 176.477 174.700 -0.067 0.000 1.037 73 T CA 1.353 63.417 62.100 -0.060 0.000 1.146 73 T CB -0.325 68.521 68.868 -0.037 0.000 0.865 73 T HN 0.359 nan 8.240 nan 0.000 0.435 74 A N 1.259 124.048 122.820 -0.053 0.000 1.933 74 A HA -0.134 4.186 4.320 -0.001 0.000 0.218 74 A C 2.259 179.711 177.584 -0.221 0.000 1.175 74 A CA 1.554 53.538 52.037 -0.088 0.000 0.628 74 A CB -0.492 18.483 19.000 -0.042 0.000 0.814 74 A HN 0.474 nan 8.150 nan 0.000 0.444 75 E N -0.150 119.909 120.200 -0.234 0.000 2.106 75 E HA -0.181 4.168 4.350 -0.001 0.000 0.192 75 E C 1.864 178.246 176.600 -0.362 0.000 0.984 75 E CA 1.225 57.325 56.400 -0.500 0.000 0.806 75 E CB -0.087 29.326 29.700 -0.479 0.000 0.750 75 E HN 0.771 nan 8.360 nan 0.000 0.458 76 E N -0.160 119.913 120.200 -0.211 0.000 2.107 76 E HA -0.113 4.236 4.350 -0.001 0.000 0.191 76 E C 2.210 178.719 176.600 -0.152 0.000 0.982 76 E CA 0.844 57.153 56.400 -0.151 0.000 0.809 76 E CB 0.193 29.835 29.700 -0.096 0.000 0.756 76 E HN 0.089 nan 8.360 nan 0.000 0.459 77 V N 1.513 121.335 119.914 -0.154 0.000 2.343 77 V HA -0.270 3.849 4.120 -0.001 0.000 0.247 77 V C 2.355 178.344 176.094 -0.174 0.000 1.051 77 V CA 1.862 64.085 62.300 -0.129 0.000 1.036 77 V CB -0.673 31.091 31.823 -0.097 0.000 0.654 77 V HN 0.303 nan 8.190 nan 0.000 0.451 78 A N -0.001 122.637 122.820 -0.303 0.000 1.902 78 A HA -0.315 4.004 4.320 -0.001 0.000 0.217 78 A C 2.036 179.468 177.584 -0.254 0.000 1.181 78 A CA 2.278 54.080 52.037 -0.392 0.000 0.623 78 A CB -0.732 17.687 19.000 -0.968 0.000 0.818 78 A HN 0.606 nan 8.150 nan 0.000 0.443 79 D N -0.734 119.525 120.400 -0.236 0.000 2.117 79 D HA -0.154 4.485 4.640 -0.001 0.000 0.197 79 D C 1.963 178.216 176.300 -0.079 0.000 0.987 79 D CA 1.458 55.385 54.000 -0.121 0.000 0.829 79 D CB -0.022 40.712 40.800 -0.109 0.000 0.961 79 D HN 0.401 nan 8.370 nan 0.000 0.460 80 E N -0.191 119.959 120.200 -0.083 0.000 2.038 80 E HA -0.159 4.190 4.350 -0.001 0.000 0.195 80 E C 2.233 178.806 176.600 -0.046 0.000 1.000 80 E CA 0.525 56.892 56.400 -0.053 0.000 0.803 80 E CB -0.383 29.288 29.700 -0.050 0.000 0.750 80 E HN 0.294 nan 8.360 nan 0.000 0.448 81 L N 0.939 122.128 121.223 -0.057 0.000 1.989 81 L HA -0.165 4.175 4.340 -0.001 0.000 0.211 81 L C 2.437 179.284 176.870 -0.039 0.000 1.071 81 L CA 1.993 56.807 54.840 -0.043 0.000 0.749 81 L CB -1.439 40.593 42.059 -0.044 0.000 0.890 81 L HN 0.057 nan 8.230 nan 0.000 0.431 82 A N -1.038 121.761 122.820 -0.035 0.000 1.908 82 A HA -0.230 4.090 4.320 -0.001 0.000 0.218 82 A C 2.209 179.779 177.584 -0.024 0.000 1.181 82 A CA 1.794 53.820 52.037 -0.018 0.000 0.627 82 A CB -0.529 18.481 19.000 0.016 0.000 0.818 82 A HN 0.542 nan 8.150 nan 0.000 0.445 83 E N -1.219 118.967 120.200 -0.024 0.000 2.150 83 E HA -0.178 4.172 4.350 -0.001 0.000 0.193 83 E C 2.268 178.855 176.600 -0.022 0.000 0.985 83 E CA 0.981 57.369 56.400 -0.020 0.000 0.814 83 E CB -0.082 29.607 29.700 -0.018 0.000 0.752 83 E HN 0.420 nan 8.360 nan 0.000 0.466 84 R N 0.901 121.386 120.500 -0.025 0.000 2.090 84 R HA -0.076 4.263 4.340 -0.001 0.000 0.228 84 R C 2.051 178.331 176.300 -0.033 0.000 1.110 84 R CA 0.837 56.922 56.100 -0.024 0.000 0.973 84 R CB -0.660 29.627 30.300 -0.022 0.000 0.869 84 R HN 0.001 nan 8.270 nan 0.000 0.440 85 V N 0.891 120.779 119.914 -0.043 0.000 2.295 85 V HA -0.249 3.871 4.120 -0.001 0.000 0.246 85 V C 2.469 178.534 176.094 -0.048 0.000 1.049 85 V CA 2.080 64.346 62.300 -0.057 0.000 1.024 85 V CB -0.564 31.211 31.823 -0.080 0.000 0.648 85 V HN 0.419 nan 8.190 nan 0.000 0.447 86 Q N -0.142 119.635 119.800 -0.039 0.000 2.124 86 Q HA -0.173 4.166 4.340 -0.001 0.000 0.202 86 Q C 2.297 178.283 176.000 -0.024 0.000 0.977 86 Q CA 2.031 57.816 55.803 -0.030 0.000 0.850 86 Q CB -0.361 28.364 28.738 -0.022 0.000 0.901 86 Q HN 0.627 nan 8.270 nan 0.000 0.429 87 A N 0.513 123.320 122.820 -0.022 0.000 1.933 87 A HA -0.102 4.217 4.320 -0.001 0.000 0.218 87 A C 1.944 179.517 177.584 -0.020 0.000 1.175 87 A CA 0.920 52.947 52.037 -0.018 0.000 0.628 87 A CB -0.518 18.473 19.000 -0.014 0.000 0.814 87 A HN 0.399 nan 8.150 nan 0.000 0.444 88 L N -0.742 120.465 121.223 -0.026 0.000 2.660 88 L HA 0.207 4.547 4.340 -0.001 0.000 0.238 88 L C 1.504 178.357 176.870 -0.028 0.000 1.161 88 L CA 0.410 55.233 54.840 -0.028 0.000 0.937 88 L CB -0.468 41.570 42.059 -0.035 0.000 1.122 88 L HN 0.579 nan 8.230 nan 0.000 0.435 89 G N -0.183 108.602 108.800 -0.026 0.000 2.143 89 G HA2 -0.220 3.739 3.960 -0.001 0.000 0.248 89 G HA3 -0.220 3.739 3.960 -0.001 0.000 0.248 89 G C 0.445 175.327 174.900 -0.030 0.000 0.991 89 G CA -0.045 45.041 45.100 -0.024 0.000 0.689 89 G HN 0.543 nan 8.290 nan 0.000 0.522 90 G N -1.690 107.086 108.800 -0.039 0.000 2.613 90 G HA2 0.697 4.656 3.960 -0.001 0.000 0.303 90 G HA3 0.697 4.656 3.960 -0.001 0.000 0.303 90 G C -0.586 174.282 174.900 -0.054 0.000 1.312 90 G CA -0.158 44.912 45.100 -0.050 0.000 1.036 90 G HN 0.924 nan 8.290 nan 0.000 0.513 91 V N 2.554 122.425 119.914 -0.071 0.000 2.350 91 V HA 0.346 4.466 4.120 -0.001 0.000 0.285 91 V C -1.963 174.056 176.094 -0.126 0.000 1.014 91 V CA -1.276 60.983 62.300 -0.068 0.000 0.831 91 V CB 1.620 33.419 31.823 -0.041 0.000 1.000 91 V HN 0.633 nan 8.190 nan 0.000 0.433 92 P HA 0.163 nan 4.420 nan 0.000 0.275 92 P C -0.438 176.809 177.300 -0.087 0.000 1.227 92 P CA -0.256 62.763 63.100 -0.136 0.000 0.781 92 P CB 0.507 32.178 31.700 -0.048 0.000 0.906 93 H N 1.608 120.698 119.070 0.033 0.000 3.034 93 H HA 0.123 4.679 4.556 -0.001 0.000 0.324 93 H C 1.122 176.469 175.328 0.031 0.000 1.015 93 H CA 0.466 56.532 56.048 0.029 0.000 1.429 93 H CB 0.553 30.339 29.762 0.040 0.000 1.429 93 H HN 0.548 nan 8.280 nan 0.000 0.585 94 A N 3.275 126.171 122.820 0.126 0.000 2.016 94 A HA 0.063 4.383 4.320 -0.001 0.000 0.202 94 A C 1.028 178.606 177.584 -0.010 0.000 1.632 94 A CA 0.427 52.492 52.037 0.046 0.000 0.891 94 A CB -0.439 18.579 19.000 0.029 0.000 1.103 94 A HN 0.643 nan 8.150 nan 0.000 0.547 95 S N 0.750 116.449 115.700 -0.003 0.000 2.568 95 S HA 0.230 4.699 4.470 -0.001 0.000 0.282 95 S C -1.715 172.850 174.600 -0.059 0.000 1.338 95 S CA -0.289 57.892 58.200 -0.032 0.000 1.045 95 S CB 0.688 63.877 63.200 -0.020 0.000 0.873 95 S HN 0.107 nan 8.310 nan 0.000 0.516 96 P HA -0.153 nan 4.420 nan 0.000 0.216 96 P C 1.498 178.746 177.300 -0.087 0.000 1.153 96 P CA 1.469 64.499 63.100 -0.116 0.000 0.858 96 P CB 0.038 31.658 31.700 -0.133 0.000 0.789 97 E N -0.974 119.186 120.200 -0.066 0.000 2.077 97 E HA -0.162 4.188 4.350 -0.001 0.000 0.193 97 E C 1.544 178.110 176.600 -0.057 0.000 0.989 97 E CA 1.726 58.093 56.400 -0.054 0.000 0.800 97 E CB -0.428 29.248 29.700 -0.040 0.000 0.746 97 E HN 0.128 nan 8.360 nan 0.000 0.452 98 T N 1.403 115.924 114.554 -0.054 0.000 2.777 98 T HA -0.101 4.248 4.350 -0.001 0.000 0.266 98 T C 1.925 176.549 174.700 -0.126 0.000 1.040 98 T CA 1.080 63.132 62.100 -0.080 0.000 1.141 98 T CB -0.180 68.670 68.868 -0.030 0.000 0.868 98 T HN 0.132 nan 8.240 nan 0.000 0.444 99 L N 0.714 121.901 121.223 -0.061 0.000 1.989 99 L HA -0.178 4.161 4.340 -0.001 0.000 0.211 99 L C 2.919 179.769 176.870 -0.032 0.000 1.071 99 L CA 1.600 56.427 54.840 -0.020 0.000 0.749 99 L CB -0.520 41.557 42.059 0.029 0.000 0.890 99 L HN 0.286 nan 8.230 nan 0.000 0.431 100 Q N -0.361 119.418 119.800 -0.035 0.000 2.079 100 Q HA -0.199 4.140 4.340 -0.001 0.000 0.200 100 Q C 2.270 178.245 176.000 -0.042 0.000 0.974 100 Q CA 1.583 57.370 55.803 -0.026 0.000 0.840 100 Q CB -0.070 28.649 28.738 -0.033 0.000 0.898 100 Q HN 0.514 nan 8.270 nan 0.000 0.430 101 A N 0.763 123.544 122.820 -0.064 0.000 1.933 101 A HA -0.175 4.144 4.320 -0.001 0.000 0.218 101 A C 1.786 179.317 177.584 -0.089 0.000 1.175 101 A CA 1.516 53.512 52.037 -0.068 0.000 0.628 101 A CB -0.379 18.578 19.000 -0.072 0.000 0.814 101 A HN 0.370 nan 8.150 nan 0.000 0.444 102 E N 0.014 120.121 120.200 -0.155 0.000 2.435 102 E HA 0.169 4.519 4.350 -0.001 0.000 0.195 102 E C 0.864 177.420 176.600 -0.075 0.000 1.029 102 E CA 0.593 56.878 56.400 -0.192 0.000 0.865 102 E CB -0.354 29.025 29.700 -0.534 0.000 0.833 102 E HN 0.553 nan 8.360 nan 0.000 0.510 103 A N 1.378 124.176 122.820 -0.038 0.000 2.388 103 A HA 0.196 4.516 4.320 -0.001 0.000 0.257 103 A C 1.265 178.853 177.584 0.007 0.000 1.095 103 A CA 0.199 52.240 52.037 0.007 0.000 0.791 103 A CB 0.454 19.467 19.000 0.022 0.000 1.029 103 A HN 0.134 nan 8.150 nan 0.000 0.489 104 S N 1.026 116.738 115.700 0.019 0.000 2.511 104 S HA 0.169 4.639 4.470 -0.001 0.000 0.214 104 S C 0.673 175.282 174.600 0.015 0.000 0.997 104 S CA 0.477 58.688 58.200 0.017 0.000 0.908 104 S CB -1.126 62.089 63.200 0.024 0.000 0.803 104 S HN 1.406 nan 8.310 nan 0.000 0.504 105 V N 0.589 120.512 119.914 0.015 0.000 3.003 105 V HA 0.427 4.546 4.120 -0.001 0.000 0.305 105 V C -0.374 175.727 176.094 0.013 0.000 1.078 105 V CA -1.008 61.299 62.300 0.012 0.000 1.083 105 V CB 0.314 32.139 31.823 0.004 0.000 1.039 105 V HN 0.156 nan 8.190 nan 0.000 0.481 106 D N 1.854 122.262 120.400 0.014 0.000 2.304 106 D HA 0.452 5.092 4.640 -0.001 0.000 0.250 106 D C -0.054 176.259 176.300 0.022 0.000 1.107 106 D CA 0.072 54.081 54.000 0.016 0.000 0.885 106 D CB 1.948 42.757 40.800 0.015 0.000 1.192 106 D HN 0.850 nan 8.370 nan 0.000 0.436 107 V N -0.738 119.192 119.914 0.026 0.000 2.555 107 V HA 0.416 4.535 4.120 -0.001 0.000 0.302 107 V C 0.093 176.223 176.094 0.059 0.000 1.038 107 V CA -0.896 61.425 62.300 0.035 0.000 0.887 107 V CB 1.822 33.661 31.823 0.026 0.000 0.991 107 V HN 0.372 nan 8.190 nan 0.000 0.434 108 E N 2.759 123.016 120.200 0.094 0.000 2.422 108 E HA 0.136 4.486 4.350 -0.001 0.000 0.260 108 E C -0.350 176.347 176.600 0.161 0.000 1.108 108 E CA 0.239 56.737 56.400 0.163 0.000 0.943 108 E CB 0.542 30.416 29.700 0.290 0.000 0.961 108 E HN 1.011 nan 8.360 nan 0.000 0.443 109 D N 1.111 121.637 120.400 0.209 0.000 2.414 109 D HA -0.039 4.600 4.640 -0.001 0.000 0.259 109 D C 0.565 176.948 176.300 0.138 0.000 1.269 109 D CA -0.310 53.780 54.000 0.150 0.000 1.028 109 D CB 0.447 41.337 40.800 0.149 0.000 1.093 109 D HN 0.208 nan 8.370 nan 0.000 0.545 110 E N -0.667 119.578 120.200 0.077 0.000 2.515 110 E HA -0.030 4.320 4.350 -0.001 0.000 0.201 110 E C -0.296 176.300 176.600 -0.007 0.000 1.071 110 E CA 0.445 56.872 56.400 0.045 0.000 0.880 110 E CB -0.303 29.415 29.700 0.029 0.000 0.828 110 E HN 0.416 nan 8.360 nan 0.000 0.540 111 D N -0.066 120.294 120.400 -0.066 0.000 2.358 111 D HA 0.108 4.748 4.640 -0.001 0.000 0.244 111 D C -0.013 176.034 176.300 -0.422 0.000 1.163 111 D CA -0.258 53.592 54.000 -0.250 0.000 0.945 111 D CB 1.481 42.073 40.800 -0.347 0.000 1.152 111 D HN -0.271 nan 8.370 nan 0.000 0.451 112 V N 1.921 121.585 119.914 -0.418 0.000 2.394 112 V HA 0.241 4.360 4.120 -0.001 0.000 0.282 112 V C -0.483 175.322 176.094 -0.481 0.000 1.031 112 V CA -0.539 61.581 62.300 -0.300 0.000 0.881 112 V CB 0.224 31.990 31.823 -0.096 0.000 0.982 112 V HN 0.361 nan 8.190 nan 0.000 0.451 113 Y N 1.741 122.065 120.300 0.040 0.000 2.519 113 Y HA 0.459 5.009 4.550 -0.001 0.000 0.324 113 Y C 0.688 176.574 175.900 -0.023 0.000 1.214 113 Y CA -1.202 56.902 58.100 0.006 0.000 1.260 113 Y CB 0.733 39.194 38.460 0.002 0.000 1.311 113 Y HN 0.804 nan 8.280 nan 0.000 0.505 114 D N -0.157 120.329 120.400 0.143 0.000 2.378 114 D HA -0.063 4.577 4.640 -0.001 0.000 0.238 114 D C 0.849 177.160 176.300 0.017 0.000 1.180 114 D CA -0.239 53.795 54.000 0.056 0.000 0.895 114 D CB 0.688 41.517 40.800 0.049 0.000 1.192 114 D HN 0.482 nan 8.370 nan 0.000 0.438 115 I N 0.404 120.968 120.570 -0.010 0.000 2.264 115 I HA -0.227 3.942 4.170 -0.001 0.000 0.248 115 I C 2.188 178.270 176.117 -0.058 0.000 1.111 115 I CA 1.457 62.725 61.300 -0.052 0.000 1.382 115 I CB -0.217 37.763 38.000 -0.033 0.000 1.060 115 I HN 0.391 nan 8.210 nan 0.000 0.418 116 R N -0.770 119.716 120.500 -0.023 0.000 2.081 116 R HA -0.123 4.217 4.340 -0.001 0.000 0.235 116 R C 2.176 178.465 176.300 -0.017 0.000 1.131 116 R CA 1.953 58.046 56.100 -0.012 0.000 0.960 116 R CB -0.811 29.490 30.300 0.003 0.000 0.856 116 R HN 0.368 nan 8.270 nan 0.000 0.436 117 T N 0.591 115.135 114.554 -0.016 0.000 2.737 117 T HA -0.099 4.250 4.350 -0.001 0.000 0.265 117 T C 2.024 176.693 174.700 -0.052 0.000 1.038 117 T CA 1.619 63.701 62.100 -0.030 0.000 1.144 117 T CB -0.128 68.729 68.868 -0.018 0.000 0.866 117 T HN 0.216 nan 8.240 nan 0.000 0.434 118 S N 1.489 117.122 115.700 -0.112 0.000 2.353 118 S HA -0.071 4.399 4.470 -0.001 0.000 0.222 118 S C 1.969 176.445 174.600 -0.207 0.000 1.035 118 S CA 0.883 58.861 58.200 -0.370 0.000 1.025 118 S CB -0.556 62.118 63.200 -0.876 0.000 0.902 118 S HN 0.148 nan 8.310 nan 0.000 0.440 119 L N 1.608 122.762 121.223 -0.114 0.000 2.042 119 L HA -0.052 4.287 4.340 -0.001 0.000 0.210 119 L C 2.599 179.529 176.870 0.100 0.000 1.076 119 L CA 1.716 56.585 54.840 0.048 0.000 0.749 119 L CB -1.338 40.741 42.059 0.033 0.000 0.893 119 L HN 0.324 nan 8.230 nan 0.000 0.432 120 A N -0.738 122.114 122.820 0.053 0.000 1.933 120 A HA -0.208 4.111 4.320 -0.001 0.000 0.218 120 A C 2.128 179.760 177.584 0.079 0.000 1.175 120 A CA 1.759 53.832 52.037 0.060 0.000 0.628 120 A CB -0.572 18.442 19.000 0.024 0.000 0.814 120 A HN 0.500 nan 8.150 nan 0.000 0.444 121 N N 0.680 119.427 118.700 0.078 0.000 2.120 121 N HA -0.127 4.612 4.740 -0.001 0.000 0.188 121 N C 1.106 176.702 175.510 0.144 0.000 1.024 121 N CA 1.583 54.691 53.050 0.097 0.000 0.852 121 N CB -0.465 38.090 38.487 0.114 0.000 1.003 121 N HN 0.452 nan 8.380 nan 0.000 0.424 122 D N 0.716 121.245 120.400 0.215 0.000 2.117 122 D HA -0.121 4.518 4.640 -0.001 0.000 0.197 122 D C 1.917 178.408 176.300 0.320 0.000 0.987 122 D CA 0.515 54.661 54.000 0.244 0.000 0.829 122 D CB -0.234 40.777 40.800 0.351 0.000 0.961 122 D HN 0.256 nan 8.370 nan 0.000 0.460 123 M N 0.518 120.295 119.600 0.296 0.000 2.159 123 M HA -0.154 4.325 4.480 -0.001 0.000 0.263 123 M C 1.981 178.413 176.300 0.220 0.000 1.063 123 M CA 1.395 56.865 55.300 0.284 0.000 1.110 123 M CB 0.117 32.815 32.600 0.164 0.000 1.374 123 M HN 0.003 nan 8.290 nan 0.000 0.411 124 A N 0.493 123.401 122.820 0.147 0.000 1.898 124 A HA -0.134 4.185 4.320 -0.001 0.000 0.216 124 A C 1.934 179.571 177.584 0.089 0.000 1.181 124 A CA 1.459 53.554 52.037 0.098 0.000 0.620 124 A CB -0.872 18.167 19.000 0.065 0.000 0.819 124 A HN 0.587 nan 8.150 nan 0.000 0.442 125 I N -2.054 118.562 120.570 0.075 0.000 2.179 125 I HA -0.282 3.887 4.170 -0.001 0.000 0.242 125 I C 2.410 178.529 176.117 0.002 0.000 1.088 125 I CA 1.508 62.809 61.300 0.002 0.000 1.357 125 I CB -0.506 37.447 38.000 -0.079 0.000 1.051 125 I HN 0.404 nan 8.210 nan 0.000 0.409 126 Y N 1.045 121.375 120.300 0.050 0.000 2.097 126 Y HA -0.235 4.315 4.550 -0.001 0.000 0.282 126 Y C 2.710 178.629 175.900 0.032 0.000 1.152 126 Y CA 1.671 59.798 58.100 0.046 0.000 1.136 126 Y CB -1.021 37.479 38.460 0.067 0.000 0.975 126 Y HN 0.155 nan 8.280 nan 0.000 0.498 127 G N -0.213 108.709 108.800 0.204 0.000 2.476 127 G HA2 -0.316 3.644 3.960 -0.001 0.000 0.218 127 G HA3 -0.316 3.644 3.960 -0.001 0.000 0.218 127 G C 1.153 176.093 174.900 0.067 0.000 1.164 127 G CA 1.600 46.767 45.100 0.113 0.000 0.768 127 G HN 0.308 nan 8.290 nan 0.000 0.560 128 D N 0.507 120.939 120.400 0.054 0.000 2.104 128 D HA -0.089 4.550 4.640 -0.001 0.000 0.194 128 D C 2.531 178.836 176.300 0.007 0.000 0.994 128 D CA 0.657 54.670 54.000 0.022 0.000 0.830 128 D CB -0.264 40.547 40.800 0.018 0.000 0.959 128 D HN 0.397 nan 8.370 nan 0.000 0.452 129 I N 0.339 120.919 120.570 0.017 0.000 2.315 129 I HA -0.201 3.968 4.170 -0.001 0.000 0.248 129 I C 2.285 178.407 176.117 0.009 0.000 1.117 129 I CA 0.629 61.933 61.300 0.007 0.000 1.404 129 I CB -0.147 37.854 38.000 0.001 0.000 1.071 129 I HN 0.003 nan 8.210 nan 0.000 0.419 130 I N 0.702 121.299 120.570 0.046 0.000 2.142 130 I HA -0.289 3.881 4.170 -0.001 0.000 0.240 130 I C 2.503 178.614 176.117 -0.011 0.000 1.078 130 I CA 1.615 62.937 61.300 0.036 0.000 1.343 130 I CB -0.384 37.655 38.000 0.065 0.000 1.046 130 I HN 0.244 nan 8.210 nan 0.000 0.405 131 E N 0.814 121.004 120.200 -0.017 0.000 2.077 131 E HA -0.222 4.127 4.350 -0.001 0.000 0.193 131 E C 2.318 178.853 176.600 -0.109 0.000 0.989 131 E CA 1.309 57.682 56.400 -0.044 0.000 0.800 131 E CB -0.189 29.494 29.700 -0.028 0.000 0.746 131 E HN 0.525 nan 8.360 nan 0.000 0.452 132 A N 0.902 123.631 122.820 -0.152 0.000 1.902 132 A HA -0.162 4.158 4.320 -0.001 0.000 0.217 132 A C 2.381 179.654 177.584 -0.518 0.000 1.181 132 A CA 1.813 53.635 52.037 -0.358 0.000 0.623 132 A CB -0.828 18.007 19.000 -0.274 0.000 0.818 132 A HN 0.168 nan 8.150 nan 0.000 0.443 133 T N -0.346 114.074 114.554 -0.223 0.000 2.788 133 T HA -0.129 4.220 4.350 -0.001 0.000 0.268 133 T C 2.027 176.689 174.700 -0.063 0.000 1.044 133 T CA 1.539 63.583 62.100 -0.092 0.000 1.139 133 T CB -0.223 68.638 68.868 -0.011 0.000 0.867 133 T HN 0.506 nan 8.240 nan 0.000 0.454 134 R N 0.879 121.335 120.500 -0.073 0.000 2.081 134 R HA -0.055 4.285 4.340 -0.001 0.000 0.235 134 R C 2.562 178.842 176.300 -0.033 0.000 1.131 134 R CA 1.393 57.471 56.100 -0.038 0.000 0.960 134 R CB -0.154 30.126 30.300 -0.033 0.000 0.856 134 R HN 0.535 nan 8.270 nan 0.000 0.436 135 E N -0.589 119.559 120.200 -0.088 0.000 2.072 135 E HA -0.177 4.173 4.350 -0.001 0.000 0.191 135 E C 1.805 178.446 176.600 0.069 0.000 0.985 135 E CA 1.135 57.511 56.400 -0.040 0.000 0.801 135 E CB -0.094 29.554 29.700 -0.086 0.000 0.750 135 E HN 0.606 nan 8.360 nan 0.000 0.452 136 H N -0.296 118.777 119.070 0.005 0.000 2.423 136 H HA -0.071 4.484 4.556 -0.001 0.000 0.297 136 H C 2.546 177.873 175.328 -0.002 0.000 1.075 136 H CA 1.305 57.353 56.048 0.001 0.000 1.342 136 H CB 0.077 29.840 29.762 0.001 0.000 1.395 136 H HN 0.238 nan 8.280 nan 0.000 0.530 137 T N -1.019 113.606 114.554 0.118 0.000 2.904 137 T HA -0.104 4.246 4.350 -0.001 0.000 0.267 137 T C 1.724 176.456 174.700 0.053 0.000 1.059 137 T CA 1.092 63.233 62.100 0.069 0.000 1.137 137 T CB -0.001 68.894 68.868 0.046 0.000 0.879 137 T HN 0.409 nan 8.240 nan 0.000 0.467 138 E N 0.694 120.925 120.200 0.051 0.000 2.072 138 E HA 0.011 4.360 4.350 -0.001 0.000 0.190 138 E C 2.102 178.721 176.600 0.032 0.000 0.982 138 E CA 0.934 57.358 56.400 0.039 0.000 0.803 138 E CB -0.270 29.450 29.700 0.033 0.000 0.755 138 E HN 0.339 nan 8.360 nan 0.000 0.453 139 L N 1.200 122.452 121.223 0.048 0.000 2.042 139 L HA -0.166 4.173 4.340 -0.001 0.000 0.210 139 L C 2.183 179.050 176.870 -0.005 0.000 1.076 139 L CA 2.129 56.988 54.840 0.031 0.000 0.749 139 L CB -0.632 41.461 42.059 0.055 0.000 0.893 139 L HN 0.032 nan 8.230 nan 0.000 0.432 140 A N -0.947 121.869 122.820 -0.005 0.000 1.873 140 A HA -0.174 4.146 4.320 -0.001 0.000 0.215 140 A C 2.190 179.713 177.584 -0.102 0.000 1.186 140 A CA 1.606 53.615 52.037 -0.046 0.000 0.616 140 A CB -0.636 18.350 19.000 -0.023 0.000 0.823 140 A HN 0.567 nan 8.150 nan 0.000 0.442 141 E N 0.157 120.318 120.200 -0.065 0.000 2.085 141 E HA -0.200 4.149 4.350 -0.001 0.000 0.194 141 E C 1.817 178.360 176.600 -0.096 0.000 0.994 141 E CA 1.436 57.780 56.400 -0.093 0.000 0.801 141 E CB -0.440 29.289 29.700 0.047 0.000 0.743 141 E HN 0.755 nan 8.360 nan 0.000 0.453 142 N N 0.479 119.156 118.700 -0.039 0.000 2.166 142 N HA -0.114 4.625 4.740 -0.001 0.000 0.186 142 N C 1.826 177.307 175.510 -0.048 0.000 1.019 142 N CA 0.518 53.554 53.050 -0.023 0.000 0.856 142 N CB -0.048 38.436 38.487 -0.005 0.000 0.993 142 N HN 0.076 nan 8.380 nan 0.000 0.426 143 L N -0.097 121.082 121.223 -0.073 0.000 2.552 143 L HA 0.090 4.429 4.340 -0.001 0.000 0.227 143 L C 1.236 178.034 176.870 -0.119 0.000 1.146 143 L CA 0.117 54.911 54.840 -0.076 0.000 0.858 143 L CB -0.197 41.822 42.059 -0.068 0.000 0.969 143 L HN 0.292 nan 8.230 nan 0.000 0.451 144 G N 0.140 108.810 108.800 -0.218 0.000 2.143 144 G HA2 -0.299 3.661 3.960 -0.001 0.000 0.248 144 G HA3 -0.299 3.661 3.960 -0.001 0.000 0.248 144 G C 0.138 174.777 174.900 -0.435 0.000 0.991 144 G CA 0.348 45.239 45.100 -0.347 0.000 0.689 144 G HN 0.381 nan 8.290 nan 0.000 0.522 145 D N 0.196 120.389 120.400 -0.346 0.000 2.564 145 D HA 0.299 4.939 4.640 -0.001 0.000 0.226 145 D C 1.583 177.759 176.300 -0.206 0.000 1.149 145 D CA -0.642 53.239 54.000 -0.198 0.000 0.994 145 D CB -0.249 40.488 40.800 -0.106 0.000 1.029 145 D HN 0.437 nan 8.370 nan 0.000 0.517 146 H N 1.292 120.372 119.070 0.017 0.000 2.457 146 H HA -0.059 4.496 4.556 -0.001 0.000 0.294 146 H C 1.694 177.052 175.328 0.049 0.000 1.064 146 H CA 1.208 57.273 56.048 0.028 0.000 1.330 146 H CB 0.178 29.945 29.762 0.009 0.000 1.395 146 H HN 0.471 nan 8.280 nan 0.000 0.541 147 A N 0.520 123.411 122.820 0.118 0.000 1.897 147 A HA -0.114 4.205 4.320 -0.001 0.000 0.215 147 A C 2.594 180.237 177.584 0.099 0.000 1.181 147 A CA 1.745 53.842 52.037 0.100 0.000 0.620 147 A CB -0.683 18.350 19.000 0.055 0.000 0.821 147 A HN 0.326 nan 8.150 nan 0.000 0.443 148 T N 0.300 114.884 114.554 0.050 0.000 2.737 148 T HA 0.016 4.366 4.350 -0.001 0.000 0.265 148 T C 2.264 176.993 174.700 0.049 0.000 1.038 148 T CA 1.479 63.598 62.100 0.031 0.000 1.144 148 T CB -0.457 68.408 68.868 -0.005 0.000 0.866 148 T HN 0.574 nan 8.240 nan 0.000 0.434 149 A N 1.173 124.027 122.820 0.058 0.000 1.883 149 A HA -0.230 4.089 4.320 -0.001 0.000 0.217 149 A C 2.033 179.677 177.584 0.100 0.000 1.186 149 A CA 2.422 54.504 52.037 0.074 0.000 0.624 149 A CB -1.066 17.986 19.000 0.087 0.000 0.822 149 A HN 0.650 nan 8.150 nan 0.000 0.444 150 H N -0.916 118.183 119.070 0.048 0.000 2.321 150 H HA -0.101 4.455 4.556 -0.001 0.000 0.300 150 H C 2.011 177.354 175.328 0.024 0.000 1.087 150 H CA 2.138 58.209 56.048 0.038 0.000 1.319 150 H CB -0.229 29.558 29.762 0.041 0.000 1.379 150 H HN 0.428 nan 8.280 nan 0.000 0.501 151 M N -0.241 119.390 119.600 0.051 0.000 2.117 151 M HA -0.158 4.322 4.480 -0.001 0.000 0.262 151 M C 1.772 178.044 176.300 -0.046 0.000 1.065 151 M CA 1.615 56.908 55.300 -0.012 0.000 1.114 151 M CB -0.161 32.457 32.600 0.029 0.000 1.361 151 M HN 0.411 nan 8.290 nan 0.000 0.408 152 L N -0.159 121.055 121.223 -0.015 0.000 2.046 152 L HA -0.223 4.116 4.340 -0.001 0.000 0.208 152 L C 2.659 179.509 176.870 -0.033 0.000 1.077 152 L CA 1.377 56.213 54.840 -0.006 0.000 0.747 152 L CB -0.623 41.454 42.059 0.031 0.000 0.896 152 L HN 0.333 nan 8.230 nan 0.000 0.432 153 R N -0.405 120.056 120.500 -0.066 0.000 2.092 153 R HA -0.124 4.215 4.340 -0.001 0.000 0.231 153 R C 2.174 178.403 176.300 -0.118 0.000 1.119 153 R CA 0.921 56.970 56.100 -0.085 0.000 0.970 153 R CB -0.261 29.979 30.300 -0.100 0.000 0.864 153 R HN 0.375 nan 8.270 nan 0.000 0.440 154 E N 0.041 120.130 120.200 -0.186 0.000 2.077 154 E HA -0.136 4.214 4.350 -0.001 0.000 0.193 154 E C 2.075 178.628 176.600 -0.079 0.000 0.989 154 E CA 1.547 57.852 56.400 -0.159 0.000 0.800 154 E CB -0.205 29.385 29.700 -0.184 0.000 0.746 154 E HN 0.500 nan 8.360 nan 0.000 0.452 155 G N 1.203 109.967 108.800 -0.060 0.000 2.408 155 G HA2 -0.179 3.781 3.960 -0.001 0.000 0.215 155 G HA3 -0.179 3.781 3.960 -0.001 0.000 0.215 155 G C 1.629 176.524 174.900 -0.008 0.000 1.156 155 G CA 0.391 45.474 45.100 -0.030 0.000 0.793 155 G HN 0.193 nan 8.290 nan 0.000 0.535 156 L N 0.860 122.075 121.223 -0.013 0.000 2.042 156 L HA -0.005 4.334 4.340 -0.001 0.000 0.210 156 L C 2.354 179.225 176.870 0.002 0.000 1.076 156 L CA 1.329 56.170 54.840 0.003 0.000 0.749 156 L CB -0.324 41.730 42.059 -0.008 0.000 0.893 156 L HN 0.164 nan 8.230 nan 0.000 0.432 157 I N -0.489 120.070 120.570 -0.018 0.000 2.286 157 I HA -0.201 3.968 4.170 -0.001 0.000 0.248 157 I C 2.190 178.305 176.117 -0.003 0.000 1.115 157 I CA 1.427 62.714 61.300 -0.021 0.000 1.392 157 I CB -0.618 37.360 38.000 -0.036 0.000 1.065 157 I HN 0.395 nan 8.210 nan 0.000 0.418 158 E N 0.303 120.508 120.200 0.008 0.000 2.107 158 E HA -0.141 4.209 4.350 -0.001 0.000 0.191 158 E C 2.160 178.798 176.600 0.064 0.000 0.982 158 E CA 0.704 57.122 56.400 0.030 0.000 0.809 158 E CB -0.310 29.401 29.700 0.017 0.000 0.756 158 E HN 0.306 nan 8.360 nan 0.000 0.459 159 L N 1.517 122.790 121.223 0.085 0.000 2.056 159 L HA -0.124 4.215 4.340 -0.001 0.000 0.207 159 L C 2.096 179.012 176.870 0.076 0.000 1.078 159 L CA 1.572 56.519 54.840 0.177 0.000 0.749 159 L CB -0.812 41.372 42.059 0.209 0.000 0.901 159 L HN 0.132 nan 8.230 nan 0.000 0.433 160 E N -0.882 119.341 120.200 0.039 0.000 2.153 160 E HA -0.249 4.101 4.350 -0.001 0.000 0.194 160 E C 1.662 178.245 176.600 -0.028 0.000 0.988 160 E CA 1.102 57.497 56.400 -0.008 0.000 0.811 160 E CB -0.003 29.688 29.700 -0.016 0.000 0.746 160 E HN 0.447 nan 8.360 nan 0.000 0.466 161 D N 1.036 121.439 120.400 0.005 0.000 2.097 161 D HA -0.156 4.483 4.640 -0.001 0.000 0.195 161 D C 1.506 177.915 176.300 0.182 0.000 0.989 161 D CA 1.093 55.124 54.000 0.052 0.000 0.827 161 D CB -0.016 40.845 40.800 0.101 0.000 0.966 161 D HN 0.008 nan 8.370 nan 0.000 0.456 162 D N -0.250 120.233 120.400 0.138 0.000 2.144 162 D HA -0.063 4.576 4.640 -0.001 0.000 0.200 162 D C 1.944 178.144 176.300 -0.166 0.000 0.978 162 D CA 1.177 55.276 54.000 0.165 0.000 0.833 162 D CB -0.366 40.436 40.800 0.004 0.000 0.961 162 D HN 0.274 nan 8.370 nan 0.000 0.470 163 A N 0.743 123.241 122.820 -0.538 0.000 1.902 163 A HA -0.234 4.085 4.320 -0.001 0.000 0.217 163 A C 2.094 179.581 177.584 -0.162 0.000 1.181 163 A CA 1.672 53.399 52.037 -0.517 0.000 0.623 163 A CB -0.947 17.876 19.000 -0.295 0.000 0.818 163 A HN 0.394 nan 8.150 nan 0.000 0.443 164 H N -1.385 117.559 119.070 -0.210 0.000 2.353 164 H HA -0.170 4.385 4.556 -0.001 0.000 0.300 164 H C 1.983 177.104 175.328 -0.345 0.000 1.090 164 H CA 1.813 57.692 56.048 -0.281 0.000 1.327 164 H CB -0.296 29.251 29.762 -0.360 0.000 1.383 164 H HN 0.621 nan 8.280 nan 0.000 0.508 165 H N 0.608 119.471 119.070 -0.345 0.000 2.319 165 H HA -0.115 4.440 4.556 -0.001 0.000 0.299 165 H C 2.720 177.793 175.328 -0.426 0.000 1.092 165 H CA 1.618 57.363 56.048 -0.504 0.000 1.302 165 H CB -0.028 29.487 29.762 -0.412 0.000 1.373 165 H HN 0.406 nan 8.280 nan 0.000 0.497 166 I N 0.676 121.240 120.570 -0.010 0.000 2.226 166 I HA -0.244 3.925 4.170 -0.001 0.000 0.245 166 I C 2.660 178.809 176.117 0.053 0.000 1.100 166 I CA 1.225 62.605 61.300 0.133 0.000 1.374 166 I CB -0.281 37.828 38.000 0.181 0.000 1.057 166 I HN 0.290 nan 8.210 nan 0.000 0.413 167 E N 0.569 120.737 120.200 -0.053 0.000 2.085 167 E HA -0.272 4.077 4.350 -0.001 0.000 0.194 167 E C 2.111 178.714 176.600 0.004 0.000 0.994 167 E CA 1.462 57.844 56.400 -0.030 0.000 0.801 167 E CB -0.084 29.580 29.700 -0.060 0.000 0.743 167 E HN 0.610 nan 8.360 nan 0.000 0.453 168 H N -1.845 117.031 119.070 -0.324 0.000 2.428 168 H HA -0.095 4.461 4.556 -0.001 0.000 0.296 168 H C 1.608 176.805 175.328 -0.219 0.000 1.062 168 H CA 0.853 56.702 56.048 -0.332 0.000 1.350 168 H CB 0.210 29.660 29.762 -0.520 0.000 1.403 168 H HN 0.264 nan 8.280 nan 0.000 0.533 169 Y N 0.625 120.884 120.300 -0.068 0.000 2.293 169 Y HA -0.128 4.422 4.550 -0.001 0.000 0.291 169 Y C 2.145 178.013 175.900 -0.053 0.000 1.137 169 Y CA 0.859 58.909 58.100 -0.083 0.000 1.202 169 Y CB -0.054 38.336 38.460 -0.117 0.000 0.990 169 Y HN 0.134 nan 8.280 nan 0.000 0.537 170 L N -0.609 120.685 121.223 0.119 0.000 2.592 170 L HA 0.040 4.379 4.340 -0.001 0.000 0.227 170 L C 0.734 177.617 176.870 0.021 0.000 1.127 170 L CA -0.039 54.838 54.840 0.062 0.000 0.884 170 L CB -0.170 41.922 42.059 0.055 0.000 1.065 170 L HN -0.023 nan 8.230 nan 0.000 0.457 171 E N 1.645 121.839 120.200 -0.010 0.000 2.404 171 E HA -0.050 4.299 4.350 -0.001 0.000 0.261 171 E C -0.056 176.521 176.600 -0.039 0.000 1.074 171 E CA 0.043 56.415 56.400 -0.047 0.000 0.917 171 E CB 0.677 30.299 29.700 -0.130 0.000 0.965 171 E HN 0.149 nan 8.360 nan 0.000 0.433 172 D N 1.707 122.084 120.400 -0.038 0.000 2.801 172 D HA 0.086 4.725 4.640 -0.001 0.000 0.232 172 D C -0.524 175.754 176.300 -0.037 0.000 1.128 172 D CA -0.116 53.867 54.000 -0.028 0.000 1.003 172 D CB -0.100 40.688 40.800 -0.021 0.000 1.110 172 D HN 0.056 nan 8.370 nan 0.000 0.477 173 D N -0.471 119.903 120.400 -0.043 0.000 2.602 173 D HA 0.619 5.259 4.640 -0.001 0.000 0.236 173 D C -1.495 174.786 176.300 -0.032 0.000 1.209 173 D CA -0.400 53.573 54.000 -0.045 0.000 0.831 173 D CB 2.353 43.110 40.800 -0.072 0.000 1.478 173 D HN 0.095 nan 8.370 nan 0.000 0.438 174 T N 1.101 115.640 114.554 -0.024 0.000 2.831 174 T HA 0.220 4.570 4.350 -0.001 0.000 0.333 174 T C 0.256 174.950 174.700 -0.011 0.000 1.684 174 T CA -0.518 61.575 62.100 -0.012 0.000 1.049 174 T CB 0.489 69.357 68.868 -0.001 0.000 1.518 174 T HN 0.276 nan 8.240 nan 0.000 0.491 175 L N 2.169 123.388 121.223 -0.005 0.000 2.313 175 L HA 0.236 4.575 4.340 -0.001 0.000 0.214 175 L C 0.987 177.857 176.870 -0.000 0.000 1.119 175 L CA 0.284 55.122 54.840 -0.004 0.000 0.809 175 L CB 0.099 42.158 42.059 -0.000 0.000 0.933 175 L HN 0.454 nan 8.230 nan 0.000 0.449 176 V N 0.643 120.559 119.914 0.003 0.000 2.763 176 V HA 0.028 4.147 4.120 -0.001 0.000 0.306 176 V C 0.628 176.723 176.094 0.002 0.000 1.059 176 V CA 0.279 62.582 62.300 0.005 0.000 1.138 176 V CB 0.804 32.632 31.823 0.008 0.000 0.940 176 V HN 0.418 nan 8.190 nan 0.000 0.489 177 T N 1.277 115.832 114.554 0.002 0.000 2.916 177 T HA 0.397 4.747 4.350 -0.001 0.000 0.292 177 T C 0.382 175.083 174.700 0.002 0.000 1.064 177 T CA -0.651 61.449 62.100 0.001 0.000 1.011 177 T CB 1.837 70.705 68.868 0.000 0.000 1.152 177 T HN 0.366 nan 8.240 nan 0.000 0.510 178 Q N 1.040 120.841 119.800 0.001 0.000 2.170 178 Q HA 0.088 4.428 4.340 -0.001 0.000 0.203 178 Q C 2.163 178.164 176.000 0.002 0.000 0.976 178 Q CA 2.422 58.226 55.803 0.002 0.000 0.858 178 Q CB -1.067 27.671 28.738 0.001 0.000 0.907 178 Q HN 0.973 nan 8.270 nan 0.000 0.433 179 G N -0.238 108.563 108.800 0.002 0.000 2.421 179 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.216 179 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.216 179 G C 1.425 176.327 174.900 0.003 0.000 1.171 179 G CA 0.841 45.942 45.100 0.002 0.000 0.775 179 G HN 0.507 nan 8.290 nan 0.000 0.543 180 A N -0.511 122.311 122.820 0.004 0.000 2.067 180 A HA 0.315 4.634 4.320 -0.001 0.000 0.219 180 A C 1.382 178.970 177.584 0.006 0.000 1.158 180 A CA 0.473 52.513 52.037 0.005 0.000 0.661 180 A CB -0.224 18.780 19.000 0.006 0.000 0.801 180 A HN 0.337 nan 8.150 nan 0.000 0.452 181 L N 0.000 121.226 121.223 0.005 0.000 2.949 181 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 181 L CA 0.000 54.843 54.840 0.006 0.000 0.813 181 L CB 0.000 42.062 42.059 0.005 0.000 0.961 181 L HN 0.000 nan 8.230 nan 0.000 0.502