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 2v4d_1_D DATA FIRST_RESID 30 DATA SEQUENCE ELPGRTNAFR IAEVRPQVNG IILKRLFKEG SDVKAGQQLY QIDPATYEAD DATA SEQUENCE YQSAQANLAS TQEQAQRYKL LVADQAVSKQ QYADANAAYL QSKAAVEQAR DATA SEQUENCE INLRYTKVLS PISGRIGRSA VTEGALVTNG QANAMATVQQ LDPIYVDVTQ DATA SEQUENCE PSTALLRLRR ELASGQLERA GDNAAKVSLK LEDGSQYPLE GRLEFSEVSV DATA SEQUENCE DEGTGSVTIR AVFPNPNNEL LPGMFVHAQL 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 30 E HA 0.000 nan 4.350 nan 0.000 0.291 30 E C 0.000 176.689 176.600 0.148 0.000 1.382 30 E CA 0.000 56.489 56.400 0.148 0.000 0.976 30 E CB 0.000 29.817 29.700 0.195 0.000 0.812 31 L N 3.220 124.509 121.223 0.111 0.000 2.276 31 L HA 0.467 4.807 4.340 -0.000 0.000 0.286 31 L C -2.187 174.631 176.870 -0.086 0.000 1.024 31 L CA -1.944 52.913 54.840 0.028 0.000 0.826 31 L CB 0.645 42.721 42.059 0.027 0.000 1.211 31 L HN 0.185 nan 8.230 nan 0.000 0.422 32 P HA 0.351 nan 4.420 nan 0.000 0.275 32 P C -0.262 176.895 177.300 -0.239 0.000 1.227 32 P CA 0.134 62.895 63.100 -0.566 0.000 0.781 32 P CB 2.119 33.469 31.700 -0.583 0.000 0.906 33 G N 2.057 110.757 108.800 -0.166 0.000 2.488 33 G HA2 0.485 4.445 3.960 -0.000 0.000 0.301 33 G HA3 0.485 4.445 3.960 -0.000 0.000 0.301 33 G C -1.576 173.365 174.900 0.068 0.000 1.339 33 G CA -0.874 44.205 45.100 -0.035 0.000 0.803 33 G HN 0.433 nan 8.290 nan 0.000 0.482 34 R N -0.091 120.467 120.500 0.098 0.000 2.711 34 R HA 0.621 4.961 4.340 -0.000 0.000 0.284 34 R C -0.182 176.173 176.300 0.092 0.000 0.968 34 R CA -0.693 55.493 56.100 0.143 0.000 0.924 34 R CB 1.864 32.272 30.300 0.180 0.000 1.162 34 R HN 0.715 nan 8.270 nan 0.000 0.465 35 T N -0.084 114.514 114.554 0.073 0.000 2.913 35 T HA 0.274 4.624 4.350 -0.000 0.000 0.297 35 T C 0.143 174.886 174.700 0.071 0.000 1.029 35 T CA -0.639 61.503 62.100 0.071 0.000 1.104 35 T CB 0.806 69.694 68.868 0.033 0.000 0.964 35 T HN 0.415 nan 8.240 nan 0.000 0.532 36 N N -0.307 118.458 118.700 0.109 0.000 2.484 36 N HA 0.461 5.201 4.740 -0.000 0.000 0.269 36 N C -0.831 174.744 175.510 0.108 0.000 1.237 36 N CA -0.546 52.568 53.050 0.107 0.000 0.838 36 N CB 2.349 40.910 38.487 0.124 0.000 1.593 36 N HN 0.985 nan 8.380 nan 0.000 0.485 37 A N 1.636 124.496 122.820 0.067 0.000 2.587 37 A HA -0.008 4.312 4.320 -0.000 0.000 0.235 37 A C 0.965 178.554 177.584 0.008 0.000 1.044 37 A CA 0.234 52.294 52.037 0.039 0.000 0.754 37 A CB -0.287 18.732 19.000 0.031 0.000 0.968 37 A HN 0.692 nan 8.150 nan 0.000 0.509 38 F N 1.773 121.562 119.950 -0.268 0.000 2.163 38 F HA 0.095 4.622 4.527 0.000 0.000 0.297 38 F C 1.282 176.947 175.800 -0.224 0.000 1.094 38 F CA 1.866 59.540 58.000 -0.545 0.000 1.290 38 F CB 0.113 38.815 39.000 -0.496 0.000 1.017 38 F HN 0.622 nan 8.300 nan 0.000 0.483 39 R N 0.370 120.905 120.500 0.058 0.000 2.584 39 R HA 0.526 4.866 4.340 -0.000 0.000 0.276 39 R C -1.861 174.454 176.300 0.026 0.000 1.046 39 R CA -0.566 55.546 56.100 0.021 0.000 0.906 39 R CB 1.631 31.988 30.300 0.095 0.000 1.215 39 R HN 0.072 nan 8.270 nan 0.000 0.449 40 I N 2.372 122.947 120.570 0.008 0.000 2.608 40 I HA 0.679 4.849 4.170 -0.000 0.000 0.295 40 I C -0.636 175.482 176.117 0.001 0.000 1.049 40 I CA -0.909 60.395 61.300 0.006 0.000 1.063 40 I CB 2.227 40.231 38.000 0.006 0.000 1.248 40 I HN 0.730 nan 8.210 nan 0.000 0.424 41 A N 4.564 127.382 122.820 -0.004 0.000 2.498 41 A HA 0.758 5.078 4.320 -0.000 0.000 0.298 41 A C -1.199 176.380 177.584 -0.009 0.000 1.075 41 A CA -0.583 51.450 52.037 -0.007 0.000 0.714 41 A CB 1.851 20.846 19.000 -0.009 0.000 1.299 41 A HN 0.724 nan 8.150 nan 0.000 0.407 42 E N -0.001 120.195 120.200 -0.006 0.000 2.207 42 E HA 0.568 4.918 4.350 -0.000 0.000 0.270 42 E C -1.219 175.380 176.600 -0.002 0.000 0.927 42 E CA -0.808 55.590 56.400 -0.003 0.000 0.799 42 E CB 2.262 31.961 29.700 -0.003 0.000 1.172 42 E HN 0.412 nan 8.360 nan 0.000 0.404 43 V N 2.917 122.835 119.914 0.007 0.000 2.398 43 V HA 0.533 4.653 4.120 -0.000 0.000 0.286 43 V C -0.129 175.966 176.094 0.001 0.000 1.026 43 V CA -0.643 61.670 62.300 0.021 0.000 0.868 43 V CB 1.038 32.901 31.823 0.067 0.000 0.982 43 V HN 0.612 nan 8.190 nan 0.000 0.443 44 R N 4.491 124.983 120.500 -0.013 0.000 2.740 44 R HA 0.588 4.928 4.340 -0.000 0.000 0.273 44 R C -2.885 173.379 176.300 -0.061 0.000 0.998 44 R CA -1.597 54.475 56.100 -0.047 0.000 0.900 44 R CB 2.830 33.104 30.300 -0.043 0.000 1.223 44 R HN 0.511 nan 8.270 nan 0.000 0.466 45 P HA 0.148 nan 4.420 nan 0.000 0.277 45 P C -0.931 176.282 177.300 -0.145 0.000 1.240 45 P CA -0.304 62.737 63.100 -0.099 0.000 0.798 45 P CB 1.162 32.801 31.700 -0.101 0.000 0.979 46 Q N -0.006 119.662 119.800 -0.220 0.000 2.118 46 Q HA 0.282 4.622 4.340 -0.000 0.000 0.219 46 Q C 0.014 175.746 176.000 -0.446 0.000 0.794 46 Q CA -0.212 55.321 55.803 -0.451 0.000 1.035 46 Q CB 1.084 29.277 28.738 -0.908 0.000 1.177 46 Q HN 0.405 nan 8.270 nan 0.000 0.478 47 V N -2.869 116.910 119.914 -0.225 0.000 3.147 47 V HA 0.567 4.687 4.120 -0.000 0.000 0.306 47 V C -1.183 174.906 176.094 -0.008 0.000 1.209 47 V CA -1.309 60.911 62.300 -0.134 0.000 1.023 47 V CB 2.044 33.738 31.823 -0.215 0.000 1.059 47 V HN -0.013 nan 8.190 nan 0.000 0.435 48 N N 1.159 119.916 118.700 0.095 0.000 2.524 48 N HA 0.861 5.601 4.740 -0.000 0.000 0.283 48 N C 0.235 175.850 175.510 0.174 0.000 1.142 48 N CA 0.736 53.845 53.050 0.098 0.000 0.984 48 N CB 1.751 40.282 38.487 0.075 0.000 1.155 48 N HN 1.468 nan 8.380 nan 0.000 0.467 49 G N -0.049 108.808 108.800 0.095 0.000 2.323 49 G HA2 0.229 4.189 3.960 -0.000 0.000 0.291 49 G HA3 0.229 4.189 3.960 -0.000 0.000 0.291 49 G C -1.796 173.132 174.900 0.047 0.000 1.278 49 G CA -0.613 44.542 45.100 0.093 0.000 0.860 49 G HN 0.310 nan 8.290 nan 0.000 0.504 50 I N 1.267 121.864 120.570 0.046 0.000 2.377 50 I HA 0.384 4.554 4.170 -0.000 0.000 0.293 50 I C 0.276 176.422 176.117 0.047 0.000 0.987 50 I CA -1.035 60.285 61.300 0.032 0.000 1.185 50 I CB 1.497 39.511 38.000 0.022 0.000 1.341 50 I HN 0.300 nan 8.210 nan 0.000 0.455 51 I N 6.779 127.373 120.570 0.040 0.000 2.581 51 I HA 0.008 4.178 4.170 -0.000 0.000 0.285 51 I C 1.300 177.464 176.117 0.078 0.000 1.129 51 I CA 0.374 61.716 61.300 0.071 0.000 1.397 51 I CB 0.581 38.628 38.000 0.078 0.000 1.399 51 I HN 0.532 nan 8.210 nan 0.000 0.537 52 L N 6.117 127.393 121.223 0.089 0.000 2.062 52 L HA 0.050 4.390 4.340 -0.000 0.000 0.202 52 L C 0.921 177.833 176.870 0.070 0.000 1.079 52 L CA 1.054 55.935 54.840 0.068 0.000 0.755 52 L CB 0.043 42.140 42.059 0.065 0.000 0.913 52 L HN 0.544 nan 8.230 nan 0.000 0.445 53 K N -0.374 120.080 120.400 0.090 0.000 2.385 53 K HA 0.361 4.681 4.320 -0.000 0.000 0.248 53 K C -0.587 176.068 176.600 0.092 0.000 0.955 53 K CA -0.678 55.647 56.287 0.064 0.000 0.816 53 K CB 2.500 35.021 32.500 0.035 0.000 1.250 53 K HN -0.123 nan 8.250 nan 0.000 0.434 54 R N 3.160 123.656 120.500 -0.007 0.000 2.664 54 R HA 0.142 4.482 4.340 -0.000 0.000 0.281 54 R C -0.617 175.518 176.300 -0.276 0.000 1.383 54 R CA -0.508 55.488 56.100 -0.173 0.000 1.563 54 R CB -0.133 30.036 30.300 -0.218 0.000 1.131 54 R HN 0.419 nan 8.270 nan 0.000 0.599 55 L N 3.652 124.800 121.223 -0.126 0.000 2.869 55 L HA 0.262 4.602 4.340 -0.000 0.000 0.240 55 L C -0.416 176.465 176.870 0.018 0.000 1.448 55 L CA 0.204 55.006 54.840 -0.064 0.000 1.158 55 L CB -1.562 40.496 42.059 -0.002 0.000 1.497 55 L HN 0.316 nan 8.230 nan 0.000 0.447 56 F N -2.307 117.550 119.950 -0.155 0.000 2.688 56 F HA 0.563 5.090 4.527 -0.000 0.000 0.308 56 F C -0.521 175.220 175.800 -0.097 0.000 1.117 56 F CA -1.592 56.333 58.000 -0.126 0.000 0.976 56 F CB 1.316 40.222 39.000 -0.156 0.000 1.291 56 F HN -0.085 nan 8.300 nan 0.000 0.439 57 K N 2.861 123.296 120.400 0.058 0.000 2.285 57 K HA 0.205 4.525 4.320 -0.000 0.000 0.286 57 K C -0.438 176.219 176.600 0.097 0.000 1.072 57 K CA -0.272 56.001 56.287 -0.023 0.000 0.913 57 K CB 0.642 33.149 32.500 0.011 0.000 1.067 57 K HN 0.826 nan 8.250 nan 0.000 0.479 58 E N 2.315 122.504 120.200 -0.020 0.000 2.585 58 E HA -0.058 4.292 4.350 -0.000 0.000 0.252 58 E C 0.715 177.376 176.600 0.102 0.000 0.981 58 E CA 0.957 57.426 56.400 0.115 0.000 0.943 58 E CB 0.258 29.977 29.700 0.032 0.000 0.923 58 E HN 0.985 nan 8.360 nan 0.000 0.486 59 G N 2.672 111.549 108.800 0.130 0.000 2.175 59 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.244 59 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.244 59 G C 0.446 175.384 174.900 0.062 0.000 0.982 59 G CA 0.305 45.449 45.100 0.073 0.000 0.641 59 G HN 0.654 nan 8.290 nan 0.000 0.527 60 S N -0.569 115.185 115.700 0.090 0.000 2.607 60 S HA 0.685 5.155 4.470 -0.000 0.000 0.272 60 S C -0.469 174.151 174.600 0.033 0.000 1.166 60 S CA -0.338 57.899 58.200 0.061 0.000 1.021 60 S CB 1.697 64.945 63.200 0.080 0.000 1.113 60 S HN 0.116 nan 8.310 nan 0.000 0.531 61 D N 0.824 121.235 120.400 0.017 0.000 2.391 61 D HA 0.538 5.178 4.640 -0.000 0.000 0.245 61 D C -0.490 175.802 176.300 -0.014 0.000 1.069 61 D CA -0.291 53.706 54.000 -0.005 0.000 0.831 61 D CB 1.891 42.687 40.800 -0.008 0.000 1.204 61 D HN 0.571 nan 8.370 nan 0.000 0.503 62 V N -0.591 119.300 119.914 -0.039 0.000 2.919 62 V HA 0.620 4.740 4.120 -0.000 0.000 0.316 62 V C -0.234 175.833 176.094 -0.045 0.000 1.077 62 V CA -0.936 61.334 62.300 -0.051 0.000 0.977 62 V CB 2.273 34.031 31.823 -0.108 0.000 1.039 62 V HN 0.235 nan 8.190 nan 0.000 0.441 63 K N 1.992 122.370 120.400 -0.036 0.000 2.138 63 K HA 0.766 5.086 4.320 -0.000 0.000 0.263 63 K C 0.045 176.626 176.600 -0.031 0.000 0.965 63 K CA -0.316 55.953 56.287 -0.029 0.000 0.868 63 K CB 1.949 34.436 32.500 -0.021 0.000 1.083 63 K HN 1.101 nan 8.250 nan 0.000 0.443 64 A N 1.321 124.126 122.820 -0.026 0.000 2.546 64 A HA 0.362 4.682 4.320 -0.000 0.000 0.243 64 A C 1.181 178.753 177.584 -0.019 0.000 1.063 64 A CA 1.129 53.153 52.037 -0.022 0.000 0.757 64 A CB -0.758 18.234 19.000 -0.014 0.000 0.991 64 A HN 0.969 nan 8.150 nan 0.000 0.503 65 G N 0.819 109.608 108.800 -0.019 0.000 2.195 65 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.224 65 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.224 65 G C 0.369 175.260 174.900 -0.014 0.000 0.990 65 G CA 0.338 45.428 45.100 -0.015 0.000 0.639 65 G HN 1.067 nan 8.290 nan 0.000 0.514 66 Q N 0.926 120.715 119.800 -0.019 0.000 2.296 66 Q HA 0.398 4.738 4.340 -0.000 0.000 0.262 66 Q C 0.609 176.604 176.000 -0.009 0.000 0.981 66 Q CA -0.240 55.554 55.803 -0.016 0.000 0.905 66 Q CB 0.438 29.161 28.738 -0.026 0.000 1.186 66 Q HN 0.538 nan 8.270 nan 0.000 0.399 67 Q N 3.913 123.718 119.800 0.007 0.000 2.274 67 Q HA -0.010 4.330 4.340 -0.000 0.000 0.280 67 Q C -0.176 175.842 176.000 0.029 0.000 1.047 67 Q CA 0.249 56.069 55.803 0.029 0.000 0.907 67 Q CB 0.574 29.333 28.738 0.035 0.000 1.171 67 Q HN 0.827 nan 8.270 nan 0.000 0.381 68 L N 3.511 124.760 121.223 0.043 0.000 2.537 68 L HA 0.242 4.582 4.340 -0.000 0.000 0.224 68 L C -0.216 176.607 176.870 -0.079 0.000 1.065 68 L CA 0.073 54.904 54.840 -0.015 0.000 0.860 68 L CB 0.299 42.272 42.059 -0.145 0.000 1.086 68 L HN 0.666 nan 8.230 nan 0.000 0.482 69 Y N -0.896 119.491 120.300 0.146 0.000 2.644 69 Y HA 0.523 5.073 4.550 0.000 0.000 0.338 69 Y C -0.555 175.395 175.900 0.082 0.000 1.119 69 Y CA -1.031 57.146 58.100 0.128 0.000 1.060 69 Y CB 1.660 40.193 38.460 0.121 0.000 1.294 69 Y HN -0.213 nan 8.280 nan 0.000 0.472 70 Q N 1.619 121.579 119.800 0.267 0.000 2.295 70 Q HA 0.518 4.858 4.340 -0.000 0.000 0.259 70 Q C -2.038 174.050 176.000 0.147 0.000 0.966 70 Q CA -0.118 55.782 55.803 0.161 0.000 0.763 70 Q CB 1.113 29.919 28.738 0.112 0.000 1.283 70 Q HN 0.634 nan 8.270 nan 0.000 0.445 71 I N 2.685 123.334 120.570 0.130 0.000 2.395 71 I HA 0.180 4.350 4.170 -0.000 0.000 0.289 71 I C 0.171 176.370 176.117 0.137 0.000 1.023 71 I CA -0.743 60.632 61.300 0.125 0.000 1.350 71 I CB 1.045 39.121 38.000 0.127 0.000 1.409 71 I HN 0.697 nan 8.210 nan 0.000 0.507 72 D N 9.458 129.926 120.400 0.113 0.000 2.554 72 D HA -0.041 4.599 4.640 -0.000 0.000 0.251 72 D C -1.468 174.915 176.300 0.139 0.000 1.213 72 D CA -1.134 52.922 54.000 0.093 0.000 0.900 72 D CB 0.890 41.721 40.800 0.051 0.000 1.135 72 D HN 0.300 nan 8.370 nan 0.000 0.522 73 P HA 0.085 nan 4.420 nan 0.000 0.257 73 P C 1.081 178.458 177.300 0.129 0.000 1.241 73 P CA 0.093 63.324 63.100 0.218 0.000 0.816 73 P CB 0.352 32.148 31.700 0.160 0.000 1.150 74 A N 1.476 124.332 122.820 0.060 0.000 1.906 74 A HA -0.264 4.056 4.320 -0.000 0.000 0.222 74 A C 2.234 179.824 177.584 0.009 0.000 1.282 74 A CA 3.321 55.375 52.037 0.028 0.000 0.675 74 A CB -1.991 17.011 19.000 0.003 0.000 0.838 74 A HN 0.316 nan 8.150 nan 0.000 0.469 75 T N -2.060 112.452 114.554 -0.069 0.000 2.851 75 T HA -0.048 4.302 4.350 -0.000 0.000 0.262 75 T C 1.788 176.457 174.700 -0.053 0.000 1.043 75 T CA 1.415 63.447 62.100 -0.114 0.000 1.140 75 T CB -0.460 68.264 68.868 -0.240 0.000 0.872 75 T HN 0.462 nan 8.240 nan 0.000 0.446 76 Y N 1.924 122.251 120.300 0.045 0.000 2.128 76 Y HA -0.096 4.454 4.550 -0.000 0.000 0.284 76 Y C 2.721 178.671 175.900 0.082 0.000 1.154 76 Y CA 1.119 59.251 58.100 0.054 0.000 1.149 76 Y CB -0.752 37.730 38.460 0.036 0.000 0.976 76 Y HN 0.205 nan 8.280 nan 0.000 0.505 77 E N 0.441 120.785 120.200 0.241 0.000 2.160 77 E HA -0.184 4.166 4.350 -0.000 0.000 0.195 77 E C 2.161 178.874 176.600 0.188 0.000 0.991 77 E CA 1.371 57.891 56.400 0.200 0.000 0.810 77 E CB -0.417 29.367 29.700 0.139 0.000 0.742 77 E HN 0.335 nan 8.360 nan 0.000 0.466 78 A N 0.751 123.647 122.820 0.125 0.000 1.873 78 A HA -0.152 4.168 4.320 -0.000 0.000 0.215 78 A C 1.958 179.595 177.584 0.088 0.000 1.186 78 A CA 1.681 53.766 52.037 0.081 0.000 0.616 78 A CB -0.674 18.347 19.000 0.036 0.000 0.823 78 A HN 0.277 nan 8.150 nan 0.000 0.442 79 D N -1.516 118.951 120.400 0.111 0.000 2.144 79 D HA -0.162 4.478 4.640 -0.000 0.000 0.199 79 D C 1.670 178.062 176.300 0.155 0.000 0.984 79 D CA 1.547 55.614 54.000 0.113 0.000 0.834 79 D CB -0.447 40.431 40.800 0.131 0.000 0.955 79 D HN 0.573 nan 8.370 nan 0.000 0.465 80 Y N 1.832 122.170 120.300 0.063 0.000 2.145 80 Y HA -0.207 4.343 4.550 -0.000 0.000 0.286 80 Y C 2.210 178.128 175.900 0.030 0.000 1.145 80 Y CA 1.516 59.644 58.100 0.047 0.000 1.148 80 Y CB -0.213 38.278 38.460 0.051 0.000 0.981 80 Y HN -0.138 nan 8.280 nan 0.000 0.507 81 Q N -0.392 119.380 119.800 -0.047 0.000 2.119 81 Q HA -0.171 4.169 4.340 -0.000 0.000 0.201 81 Q C 2.624 178.544 176.000 -0.133 0.000 0.972 81 Q CA 1.501 57.203 55.803 -0.167 0.000 0.847 81 Q CB -0.881 27.838 28.738 -0.032 0.000 0.903 81 Q HN 0.490 nan 8.270 nan 0.000 0.433 82 S N 0.522 116.191 115.700 -0.052 0.000 2.348 82 S HA -0.159 4.311 4.470 -0.000 0.000 0.221 82 S C 1.985 176.550 174.600 -0.057 0.000 1.033 82 S CA 1.380 59.558 58.200 -0.038 0.000 1.010 82 S CB -0.190 63.008 63.200 -0.004 0.000 0.891 82 S HN 0.419 nan 8.310 nan 0.000 0.442 83 A N 1.163 123.951 122.820 -0.052 0.000 1.869 83 A HA -0.243 4.077 4.320 -0.000 0.000 0.218 83 A C 2.142 179.663 177.584 -0.104 0.000 1.203 83 A CA 2.124 54.129 52.037 -0.053 0.000 0.638 83 A CB -1.227 17.770 19.000 -0.005 0.000 0.831 83 A HN 0.746 nan 8.150 nan 0.000 0.450 84 Q N -0.819 118.854 119.800 -0.213 0.000 2.197 84 Q HA -0.166 4.174 4.340 -0.000 0.000 0.207 84 Q C 2.391 178.319 176.000 -0.120 0.000 0.984 84 Q CA 1.333 57.011 55.803 -0.209 0.000 0.869 84 Q CB -0.454 28.065 28.738 -0.364 0.000 0.906 84 Q HN 0.728 nan 8.270 nan 0.000 0.426 85 A N 1.550 124.307 122.820 -0.106 0.000 1.858 85 A HA -0.288 4.032 4.320 -0.000 0.000 0.216 85 A C 1.841 179.399 177.584 -0.043 0.000 1.190 85 A CA 1.841 53.839 52.037 -0.064 0.000 0.617 85 A CB -0.920 18.049 19.000 -0.052 0.000 0.827 85 A HN 0.456 nan 8.150 nan 0.000 0.443 86 N N -0.233 118.442 118.700 -0.041 0.000 2.036 86 N HA -0.202 4.538 4.740 -0.000 0.000 0.195 86 N C 1.611 177.113 175.510 -0.014 0.000 1.037 86 N CA 1.976 55.010 53.050 -0.027 0.000 0.855 86 N CB -0.403 38.068 38.487 -0.027 0.000 1.033 86 N HN 0.334 nan 8.380 nan 0.000 0.423 87 L N 0.734 121.944 121.223 -0.021 0.000 1.971 87 L HA -0.072 4.268 4.340 -0.000 0.000 0.215 87 L C 2.238 179.135 176.870 0.046 0.000 1.072 87 L CA 2.425 57.270 54.840 0.009 0.000 0.758 87 L CB -1.549 40.500 42.059 -0.017 0.000 0.889 87 L HN 0.287 nan 8.230 nan 0.000 0.433 88 A N -1.132 121.696 122.820 0.014 0.000 1.940 88 A HA -0.337 3.983 4.320 -0.000 0.000 0.221 88 A C 2.513 180.105 177.584 0.014 0.000 1.190 88 A CA 2.667 54.713 52.037 0.015 0.000 0.647 88 A CB -1.406 17.587 19.000 -0.011 0.000 0.821 88 A HN 0.698 nan 8.150 nan 0.000 0.457 89 S N -0.817 114.885 115.700 0.003 0.000 2.361 89 S HA -0.192 4.278 4.470 -0.000 0.000 0.214 89 S C 2.340 176.937 174.600 -0.005 0.000 1.034 89 S CA 2.982 61.177 58.200 -0.008 0.000 1.025 89 S CB -1.158 62.032 63.200 -0.016 0.000 0.996 89 S HN 0.922 nan 8.310 nan 0.000 0.422 90 T N 0.279 114.842 114.554 0.014 0.000 2.653 90 T HA -0.309 4.041 4.350 -0.000 0.000 0.268 90 T C 2.015 176.751 174.700 0.061 0.000 1.035 90 T CA 2.102 64.219 62.100 0.029 0.000 1.154 90 T CB -1.167 67.744 68.868 0.072 0.000 0.862 90 T HN 0.661 nan 8.240 nan 0.000 0.441 91 Q N 0.876 120.770 119.800 0.157 0.000 2.014 91 Q HA -0.261 4.079 4.340 -0.000 0.000 0.207 91 Q C 2.533 178.464 176.000 -0.115 0.000 0.993 91 Q CA 2.115 57.941 55.803 0.038 0.000 0.850 91 Q CB -0.291 28.535 28.738 0.146 0.000 0.916 91 Q HN 0.639 nan 8.270 nan 0.000 0.417 92 E N 0.375 120.544 120.200 -0.052 0.000 2.033 92 E HA -0.312 4.038 4.350 -0.000 0.000 0.199 92 E C 1.979 178.530 176.600 -0.082 0.000 1.011 92 E CA 2.063 58.429 56.400 -0.058 0.000 0.815 92 E CB -0.367 29.313 29.700 -0.034 0.000 0.755 92 E HN 0.461 nan 8.360 nan 0.000 0.451 93 Q N 0.623 120.359 119.800 -0.107 0.000 2.142 93 Q HA -0.235 4.105 4.340 -0.000 0.000 0.213 93 Q C 1.889 177.744 176.000 -0.243 0.000 1.004 93 Q CA 2.981 58.660 55.803 -0.206 0.000 0.883 93 Q CB -0.726 27.870 28.738 -0.237 0.000 0.939 93 Q HN 0.323 nan 8.270 nan 0.000 0.413 94 A N -0.023 122.694 122.820 -0.172 0.000 1.832 94 A HA -0.242 4.078 4.320 -0.000 0.000 0.214 94 A C 2.046 179.653 177.584 0.037 0.000 1.200 94 A CA 1.674 53.652 52.037 -0.098 0.000 0.610 94 A CB -0.893 17.978 19.000 -0.215 0.000 0.842 94 A HN 0.601 nan 8.150 nan 0.000 0.444 95 Q N -0.956 118.804 119.800 -0.067 0.000 2.242 95 Q HA -0.282 4.058 4.340 -0.000 0.000 0.211 95 Q C 2.314 178.341 176.000 0.046 0.000 0.992 95 Q CA 2.100 57.890 55.803 -0.021 0.000 0.889 95 Q CB -0.245 28.452 28.738 -0.069 0.000 0.913 95 Q HN 0.670 nan 8.270 nan 0.000 0.422 96 R N -0.556 119.982 120.500 0.063 0.000 2.055 96 R HA -0.144 4.196 4.340 -0.000 0.000 0.228 96 R C 1.850 178.292 176.300 0.237 0.000 1.143 96 R CA 1.148 57.317 56.100 0.116 0.000 0.945 96 R CB -0.172 30.193 30.300 0.108 0.000 0.841 96 R HN 0.224 nan 8.270 nan 0.000 0.429 97 Y N 1.439 121.787 120.300 0.080 0.000 2.298 97 Y HA -0.202 4.348 4.550 -0.000 0.000 0.287 97 Y C 2.164 178.119 175.900 0.092 0.000 1.164 97 Y CA 1.163 59.346 58.100 0.139 0.000 1.229 97 Y CB -0.338 38.269 38.460 0.245 0.000 0.977 97 Y HN 0.117 nan 8.280 nan 0.000 0.538 98 K N -0.017 120.508 120.400 0.209 0.000 2.283 98 K HA -0.093 4.227 4.320 -0.000 0.000 0.202 98 K C 1.486 177.966 176.600 -0.201 0.000 1.048 98 K CA 0.809 56.961 56.287 -0.224 0.000 0.948 98 K CB -0.152 32.317 32.500 -0.051 0.000 0.742 98 K HN 0.325 nan 8.250 nan 0.000 0.458 99 L N 0.388 121.573 121.223 -0.063 0.000 2.554 99 L HA 0.043 4.383 4.340 -0.000 0.000 0.225 99 L C 1.797 178.628 176.870 -0.065 0.000 1.104 99 L CA 0.009 54.811 54.840 -0.064 0.000 0.866 99 L CB 0.029 42.073 42.059 -0.025 0.000 1.047 99 L HN 0.133 nan 8.230 nan 0.000 0.468 100 L N -0.267 120.918 121.223 -0.062 0.000 2.162 100 L HA -0.064 4.276 4.340 -0.000 0.000 0.205 100 L C 2.577 179.375 176.870 -0.119 0.000 1.086 100 L CA 0.724 55.511 54.840 -0.089 0.000 0.778 100 L CB -0.360 41.622 42.059 -0.128 0.000 0.928 100 L HN 0.191 nan 8.230 nan 0.000 0.446 101 V N -2.235 117.589 119.914 -0.150 0.000 2.427 101 V HA -0.100 4.020 4.120 -0.000 0.000 0.248 101 V C 2.685 178.704 176.094 -0.124 0.000 1.051 101 V CA 1.315 63.531 62.300 -0.141 0.000 1.048 101 V CB -1.393 30.320 31.823 -0.183 0.000 0.666 101 V HN 0.301 nan 8.190 nan 0.000 0.456 102 A N 0.229 122.965 122.820 -0.140 0.000 2.084 102 A HA -0.214 4.106 4.320 -0.000 0.000 0.221 102 A C 1.572 179.112 177.584 -0.074 0.000 1.161 102 A CA 2.108 54.082 52.037 -0.106 0.000 0.653 102 A CB -0.541 18.398 19.000 -0.101 0.000 0.802 102 A HN 0.653 nan 8.150 nan 0.000 0.457 103 D N -1.043 119.315 120.400 -0.071 0.000 2.623 103 D HA 0.171 4.811 4.640 -0.000 0.000 0.252 103 D C 0.063 176.330 176.300 -0.054 0.000 1.294 103 D CA 0.002 53.970 54.000 -0.054 0.000 0.824 103 D CB 0.410 41.183 40.800 -0.045 0.000 1.070 103 D HN 0.308 nan 8.370 nan 0.000 0.487 104 Q N -0.799 118.965 119.800 -0.060 0.000 2.264 104 Q HA -0.302 4.038 4.340 -0.000 0.000 0.207 104 Q C 1.436 177.398 176.000 -0.063 0.000 0.702 104 Q CA 1.176 56.946 55.803 -0.055 0.000 1.411 104 Q CB -2.105 26.609 28.738 -0.040 0.000 1.717 104 Q HN 0.457 nan 8.270 nan 0.000 0.683 105 A N 0.143 122.920 122.820 -0.072 0.000 2.131 105 A HA 0.138 4.458 4.320 -0.000 0.000 0.220 105 A C 1.124 178.638 177.584 -0.116 0.000 1.158 105 A CA 1.532 53.521 52.037 -0.080 0.000 0.665 105 A CB 0.284 19.239 19.000 -0.076 0.000 0.795 105 A HN 0.360 nan 8.150 nan 0.000 0.460 106 V N -0.341 119.490 119.914 -0.138 0.000 2.969 106 V HA 0.473 4.593 4.120 -0.000 0.000 0.304 106 V C 0.044 176.070 176.094 -0.113 0.000 1.192 106 V CA -0.299 61.891 62.300 -0.182 0.000 0.962 106 V CB 2.105 33.697 31.823 -0.384 0.000 1.045 106 V HN 0.615 nan 8.190 nan 0.000 0.428 107 S N 4.958 120.611 115.700 -0.078 0.000 2.573 107 S HA 0.202 4.672 4.470 -0.000 0.000 0.277 107 S C 0.894 175.503 174.600 0.015 0.000 1.346 107 S CA 0.214 58.398 58.200 -0.026 0.000 1.034 107 S CB 0.702 63.895 63.200 -0.011 0.000 0.879 107 S HN 0.841 nan 8.310 nan 0.000 0.528 108 K N 0.434 120.857 120.400 0.038 0.000 2.209 108 K HA -0.163 4.157 4.320 -0.000 0.000 0.204 108 K C 2.295 178.966 176.600 0.118 0.000 1.048 108 K CA 1.359 57.702 56.287 0.094 0.000 0.940 108 K CB -0.221 32.320 32.500 0.069 0.000 0.729 108 K HN 0.691 nan 8.250 nan 0.000 0.451 109 Q N 1.630 121.472 119.800 0.071 0.000 2.020 109 Q HA -0.192 4.148 4.340 -0.000 0.000 0.202 109 Q C 1.849 177.897 176.000 0.081 0.000 0.982 109 Q CA 1.798 57.639 55.803 0.062 0.000 0.838 109 Q CB -0.112 28.650 28.738 0.041 0.000 0.899 109 Q HN 0.292 nan 8.270 nan 0.000 0.423 110 Q N -1.213 118.638 119.800 0.085 0.000 2.030 110 Q HA -0.222 4.118 4.340 -0.000 0.000 0.204 110 Q C 1.962 178.113 176.000 0.251 0.000 0.986 110 Q CA 1.789 57.676 55.803 0.140 0.000 0.843 110 Q CB -0.485 28.278 28.738 0.042 0.000 0.904 110 Q HN 0.539 nan 8.270 nan 0.000 0.420 111 Y N 0.925 121.299 120.300 0.124 0.000 2.256 111 Y HA -0.248 4.302 4.550 -0.000 0.000 0.288 111 Y C 2.000 177.986 175.900 0.144 0.000 1.155 111 Y CA 1.067 59.283 58.100 0.195 0.000 1.203 111 Y CB -0.409 38.103 38.460 0.087 0.000 0.980 111 Y HN 0.106 nan 8.280 nan 0.000 0.530 112 A N 0.412 123.212 122.820 -0.033 0.000 1.832 112 A HA -0.191 4.129 4.320 -0.000 0.000 0.214 112 A C 2.075 179.589 177.584 -0.117 0.000 1.200 112 A CA 1.855 53.825 52.037 -0.111 0.000 0.610 112 A CB -1.067 17.941 19.000 0.013 0.000 0.842 112 A HN 0.516 nan 8.150 nan 0.000 0.444 113 D N 0.272 120.658 120.400 -0.023 0.000 2.172 113 D HA -0.193 4.447 4.640 -0.000 0.000 0.196 113 D C 2.160 178.435 176.300 -0.042 0.000 0.999 113 D CA 1.657 55.651 54.000 -0.010 0.000 0.856 113 D CB -0.432 40.388 40.800 0.034 0.000 0.934 113 D HN 0.453 nan 8.370 nan 0.000 0.453 114 A N 1.589 124.376 122.820 -0.055 0.000 1.828 114 A HA -0.216 4.104 4.320 -0.000 0.000 0.215 114 A C 2.018 179.515 177.584 -0.144 0.000 1.203 114 A CA 1.559 53.527 52.037 -0.116 0.000 0.614 114 A CB -0.911 18.027 19.000 -0.103 0.000 0.844 114 A HN 0.181 nan 8.150 nan 0.000 0.445 115 N N 0.521 119.032 118.700 -0.316 0.000 2.417 115 N HA -0.155 4.585 4.740 -0.000 0.000 0.187 115 N C 1.712 177.205 175.510 -0.029 0.000 1.027 115 N CA 1.361 54.290 53.050 -0.202 0.000 0.891 115 N CB -0.246 37.978 38.487 -0.438 0.000 0.956 115 N HN 0.434 nan 8.380 nan 0.000 0.442 116 A N 0.821 123.599 122.820 -0.069 0.000 1.841 116 A HA 0.062 4.382 4.320 -0.000 0.000 0.214 116 A C 2.438 180.014 177.584 -0.014 0.000 1.195 116 A CA 1.787 53.805 52.037 -0.032 0.000 0.611 116 A CB -1.093 17.887 19.000 -0.034 0.000 0.835 116 A HN 0.371 nan 8.150 nan 0.000 0.443 117 A N -1.462 121.351 122.820 -0.012 0.000 1.933 117 A HA -0.129 4.191 4.320 -0.000 0.000 0.218 117 A C 2.133 179.724 177.584 0.011 0.000 1.175 117 A CA 1.800 53.832 52.037 -0.009 0.000 0.628 117 A CB -0.896 18.096 19.000 -0.014 0.000 0.814 117 A HN 0.829 nan 8.150 nan 0.000 0.444 118 Y N 0.663 120.918 120.300 -0.075 0.000 2.165 118 Y HA -0.214 4.336 4.550 -0.000 0.000 0.286 118 Y C 1.853 177.729 175.900 -0.039 0.000 1.155 118 Y CA 1.927 59.992 58.100 -0.059 0.000 1.164 118 Y CB -0.411 38.010 38.460 -0.064 0.000 0.978 118 Y HN 0.226 nan 8.280 nan 0.000 0.513 119 L N -0.061 121.026 121.223 -0.227 0.000 2.056 119 L HA -0.244 4.096 4.340 -0.000 0.000 0.207 119 L C 2.613 179.350 176.870 -0.222 0.000 1.078 119 L CA 1.614 56.273 54.840 -0.302 0.000 0.749 119 L CB -0.708 41.291 42.059 -0.099 0.000 0.901 119 L HN 0.280 nan 8.230 nan 0.000 0.433 120 Q N -0.417 119.307 119.800 -0.128 0.000 2.077 120 Q HA -0.200 4.140 4.340 -0.000 0.000 0.206 120 Q C 2.395 178.333 176.000 -0.103 0.000 0.989 120 Q CA 1.959 57.709 55.803 -0.088 0.000 0.853 120 Q CB -0.223 28.484 28.738 -0.052 0.000 0.907 120 Q HN 0.455 nan 8.270 nan 0.000 0.418 121 S N 1.109 116.733 115.700 -0.125 0.000 2.363 121 S HA -0.209 4.261 4.470 -0.000 0.000 0.218 121 S C 1.807 176.320 174.600 -0.144 0.000 1.035 121 S CA 1.403 59.536 58.200 -0.111 0.000 1.043 121 S CB -0.362 62.783 63.200 -0.091 0.000 0.986 121 S HN 0.295 nan 8.310 nan 0.000 0.423 122 K N 1.239 121.476 120.400 -0.272 0.000 2.189 122 K HA -0.237 4.083 4.320 -0.000 0.000 0.207 122 K C 2.056 178.575 176.600 -0.135 0.000 1.046 122 K CA 1.345 57.483 56.287 -0.248 0.000 0.928 122 K CB -0.361 31.870 32.500 -0.448 0.000 0.720 122 K HN 0.342 nan 8.250 nan 0.000 0.458 123 A N 0.782 123.525 122.820 -0.127 0.000 1.832 123 A HA -0.090 4.231 4.320 -0.000 0.000 0.214 123 A C 2.362 179.929 177.584 -0.029 0.000 1.200 123 A CA 1.891 53.888 52.037 -0.068 0.000 0.610 123 A CB -1.150 17.812 19.000 -0.062 0.000 0.842 123 A HN 0.464 nan 8.150 nan 0.000 0.444 124 A N -0.556 122.248 122.820 -0.027 0.000 1.903 124 A HA -0.123 4.197 4.320 -0.000 0.000 0.219 124 A C 2.265 179.873 177.584 0.039 0.000 1.191 124 A CA 2.224 54.265 52.037 0.006 0.000 0.638 124 A CB -1.225 17.774 19.000 -0.001 0.000 0.823 124 A HN 0.481 nan 8.150 nan 0.000 0.451 125 V N 0.045 119.976 119.914 0.029 0.000 2.255 125 V HA -0.281 3.839 4.120 -0.000 0.000 0.247 125 V C 2.647 178.825 176.094 0.140 0.000 1.051 125 V CA 2.559 64.912 62.300 0.088 0.000 1.018 125 V CB -0.799 31.045 31.823 0.035 0.000 0.641 125 V HN 0.757 nan 8.190 nan 0.000 0.445 126 E N 0.268 120.509 120.200 0.068 0.000 2.118 126 E HA -0.278 4.072 4.350 -0.000 0.000 0.195 126 E C 2.104 178.729 176.600 0.042 0.000 0.992 126 E CA 1.802 58.232 56.400 0.051 0.000 0.804 126 E CB -0.343 29.366 29.700 0.015 0.000 0.741 126 E HN 0.605 nan 8.360 nan 0.000 0.458 127 Q N -0.231 119.596 119.800 0.046 0.000 2.123 127 Q HA 0.076 4.416 4.340 -0.000 0.000 0.199 127 Q C 1.934 177.970 176.000 0.060 0.000 0.966 127 Q CA 1.825 57.656 55.803 0.046 0.000 0.845 127 Q CB -0.570 28.194 28.738 0.043 0.000 0.907 127 Q HN 0.311 nan 8.270 nan 0.000 0.439 128 A N 0.719 123.603 122.820 0.107 0.000 1.858 128 A HA -0.213 4.107 4.320 -0.000 0.000 0.216 128 A C 2.161 179.759 177.584 0.023 0.000 1.190 128 A CA 1.655 53.786 52.037 0.156 0.000 0.617 128 A CB -0.745 18.442 19.000 0.312 0.000 0.827 128 A HN 0.432 nan 8.150 nan 0.000 0.443 129 R N -0.158 120.326 120.500 -0.028 0.000 2.113 129 R HA -0.183 4.157 4.340 -0.000 0.000 0.244 129 R C 1.989 178.132 176.300 -0.261 0.000 1.142 129 R CA 2.182 58.074 56.100 -0.347 0.000 0.953 129 R CB -0.510 29.696 30.300 -0.156 0.000 0.860 129 R HN 0.585 nan 8.270 nan 0.000 0.438 130 I N 1.084 121.573 120.570 -0.135 0.000 2.179 130 I HA -0.304 3.866 4.170 -0.000 0.000 0.242 130 I C 1.952 178.021 176.117 -0.079 0.000 1.088 130 I CA 1.197 62.417 61.300 -0.133 0.000 1.357 130 I CB -0.524 37.471 38.000 -0.008 0.000 1.051 130 I HN 0.272 nan 8.210 nan 0.000 0.409 131 N N 0.854 119.530 118.700 -0.040 0.000 2.120 131 N HA -0.164 4.576 4.740 -0.000 0.000 0.188 131 N C 1.852 177.163 175.510 -0.333 0.000 1.024 131 N CA 1.133 54.101 53.050 -0.137 0.000 0.852 131 N CB -0.476 37.898 38.487 -0.189 0.000 1.003 131 N HN 0.190 nan 8.380 nan 0.000 0.424 132 L N 2.081 123.143 121.223 -0.267 0.000 2.012 132 L HA -0.098 4.242 4.340 -0.000 0.000 0.210 132 L C 2.355 179.096 176.870 -0.216 0.000 1.073 132 L CA 1.601 56.303 54.840 -0.231 0.000 0.748 132 L CB -0.789 41.126 42.059 -0.239 0.000 0.891 132 L HN 0.080 nan 8.230 nan 0.000 0.431 133 R N -1.847 118.496 120.500 -0.262 0.000 2.117 133 R HA -0.240 4.100 4.340 -0.000 0.000 0.243 133 R C 2.111 178.271 176.300 -0.233 0.000 1.143 133 R CA 1.852 57.786 56.100 -0.276 0.000 0.968 133 R CB -0.413 29.654 30.300 -0.389 0.000 0.863 133 R HN 0.426 nan 8.270 nan 0.000 0.444 134 Y N 0.204 120.397 120.300 -0.179 0.000 2.616 134 Y HA -0.090 4.460 4.550 0.000 0.000 0.296 134 Y C 2.379 178.197 175.900 -0.136 0.000 1.154 134 Y CA 1.429 59.438 58.100 -0.152 0.000 1.325 134 Y CB -0.206 38.150 38.460 -0.173 0.000 1.007 134 Y HN 0.250 nan 8.280 nan 0.000 0.542 135 T N -2.574 111.966 114.554 -0.023 0.000 3.035 135 T HA -0.070 4.280 4.350 -0.000 0.000 0.268 135 T C 0.757 175.491 174.700 0.056 0.000 1.109 135 T CA 0.503 62.609 62.100 0.011 0.000 1.119 135 T CB -0.179 68.709 68.868 0.034 0.000 0.900 135 T HN 0.111 nan 8.240 nan 0.000 0.503 136 K N 2.347 122.770 120.400 0.039 0.000 2.291 136 K HA 0.433 4.753 4.320 -0.000 0.000 0.242 136 K C -0.819 175.828 176.600 0.079 0.000 1.098 136 K CA -0.467 55.854 56.287 0.057 0.000 1.036 136 K CB 1.323 33.836 32.500 0.021 0.000 1.655 136 K HN 0.120 nan 8.250 nan 0.000 0.432 137 V N 4.991 124.982 119.914 0.129 0.000 2.509 137 V HA -0.044 4.076 4.120 -0.000 0.000 0.297 137 V C 0.494 176.664 176.094 0.127 0.000 1.014 137 V CA 0.460 62.848 62.300 0.148 0.000 1.127 137 V CB -0.409 31.547 31.823 0.222 0.000 0.925 137 V HN 0.518 nan 8.190 nan 0.000 0.480 138 L N 3.746 125.016 121.223 0.080 0.000 2.313 138 L HA 0.573 4.913 4.340 -0.000 0.000 0.268 138 L C 0.379 177.260 176.870 0.019 0.000 1.010 138 L CA -0.497 54.366 54.840 0.039 0.000 0.814 138 L CB 1.857 43.925 42.059 0.016 0.000 1.304 138 L HN 0.572 nan 8.230 nan 0.000 0.441 139 S N 1.508 117.198 115.700 -0.017 0.000 2.489 139 S HA 0.294 4.764 4.470 -0.000 0.000 0.277 139 S C -1.369 173.217 174.600 -0.023 0.000 1.230 139 S CA -1.435 56.740 58.200 -0.041 0.000 1.053 139 S CB 0.982 64.131 63.200 -0.084 0.000 0.955 139 S HN 0.457 nan 8.310 nan 0.000 0.488 140 P HA 0.008 nan 4.420 nan 0.000 0.217 140 P C 0.673 177.968 177.300 -0.009 0.000 1.151 140 P CA 0.948 64.044 63.100 -0.007 0.000 0.828 140 P CB -0.166 31.533 31.700 -0.001 0.000 0.788 141 I N -4.561 116.000 120.570 -0.016 0.000 3.445 141 I HA 0.575 4.745 4.170 -0.000 0.000 0.303 141 I C -0.813 175.290 176.117 -0.022 0.000 1.129 141 I CA -1.340 59.953 61.300 -0.010 0.000 0.989 141 I CB 2.053 40.053 38.000 0.001 0.000 1.314 141 I HN -0.376 nan 8.210 nan 0.000 0.488 142 S N 0.151 115.841 115.700 -0.017 0.000 2.472 142 S HA 0.916 5.386 4.470 -0.000 0.000 0.303 142 S C -0.040 174.545 174.600 -0.026 0.000 1.099 142 S CA -0.029 58.155 58.200 -0.027 0.000 1.077 142 S CB 1.420 64.606 63.200 -0.024 0.000 1.031 142 S HN 1.226 nan 8.310 nan 0.000 0.487 143 G N 1.608 110.387 108.800 -0.035 0.000 2.360 143 G HA2 0.301 4.261 3.960 -0.000 0.000 0.276 143 G HA3 0.301 4.261 3.960 -0.000 0.000 0.276 143 G C -1.752 173.126 174.900 -0.036 0.000 1.256 143 G CA -1.008 44.073 45.100 -0.032 0.000 0.890 143 G HN 0.637 nan 8.290 nan 0.000 0.486 144 R N 0.376 120.859 120.500 -0.028 0.000 2.215 144 R HA 0.616 4.956 4.340 -0.000 0.000 0.336 144 R C -0.468 175.814 176.300 -0.030 0.000 0.996 144 R CA -0.597 55.490 56.100 -0.021 0.000 0.847 144 R CB 0.556 30.852 30.300 -0.008 0.000 1.127 144 R HN 0.578 nan 8.270 nan 0.000 0.465 145 I N 3.866 124.406 120.570 -0.051 0.000 2.499 145 I HA 0.447 4.617 4.170 -0.000 0.000 0.296 145 I C 0.193 176.324 176.117 0.024 0.000 0.992 145 I CA -0.059 61.192 61.300 -0.081 0.000 1.297 145 I CB 1.515 39.344 38.000 -0.285 0.000 1.410 145 I HN 0.794 nan 8.210 nan 0.000 0.507 146 G N 5.999 114.835 108.800 0.061 0.000 3.194 146 G HA2 0.401 4.361 3.960 -0.000 0.000 0.160 146 G HA3 0.401 4.361 3.960 -0.000 0.000 0.160 146 G C -0.521 174.498 174.900 0.199 0.000 1.267 146 G CA -0.864 44.303 45.100 0.111 0.000 0.962 146 G HN 0.592 nan 8.290 nan 0.000 0.612 147 R N 0.188 120.772 120.500 0.140 0.000 2.640 147 R HA 0.280 4.620 4.340 -0.000 0.000 0.270 147 R C 0.014 176.443 176.300 0.216 0.000 1.024 147 R CA 0.200 56.385 56.100 0.141 0.000 1.085 147 R CB 0.713 31.064 30.300 0.085 0.000 0.963 147 R HN 0.317 nan 8.270 nan 0.000 0.426 148 S N 1.744 117.582 115.700 0.230 0.000 2.430 148 S HA 0.262 4.732 4.470 -0.000 0.000 0.289 148 S C 1.136 175.856 174.600 0.201 0.000 1.143 148 S CA -0.317 58.084 58.200 0.335 0.000 1.067 148 S CB 1.311 64.702 63.200 0.319 0.000 0.964 148 S HN 0.678 nan 8.310 nan 0.000 0.485 149 A N 5.106 128.031 122.820 0.176 0.000 1.972 149 A HA 0.120 4.439 4.320 -0.000 0.000 0.219 149 A C 1.160 178.790 177.584 0.076 0.000 1.169 149 A CA 1.106 53.202 52.037 0.098 0.000 0.635 149 A CB -0.439 18.602 19.000 0.069 0.000 0.810 149 A HN 0.860 nan 8.150 nan 0.000 0.446 150 V N 0.308 120.275 119.914 0.089 0.000 2.863 150 V HA 0.568 4.688 4.120 -0.000 0.000 0.307 150 V C 0.456 176.605 176.094 0.092 0.000 1.061 150 V CA 0.207 62.534 62.300 0.045 0.000 1.024 150 V CB 1.707 33.503 31.823 -0.045 0.000 1.049 150 V HN 0.635 nan 8.190 nan 0.000 0.471 151 T N 1.916 116.505 114.554 0.059 0.000 2.942 151 T HA 0.570 4.920 4.350 -0.000 0.000 0.289 151 T C -0.132 174.607 174.700 0.064 0.000 1.044 151 T CA -0.622 61.514 62.100 0.060 0.000 1.023 151 T CB 1.353 70.239 68.868 0.031 0.000 1.123 151 T HN 0.794 nan 8.240 nan 0.000 0.512 152 E N -0.277 119.956 120.200 0.055 0.000 2.459 152 E HA 0.366 4.716 4.350 -0.000 0.000 0.264 152 E C 1.545 178.168 176.600 0.038 0.000 1.055 152 E CA 1.632 58.065 56.400 0.054 0.000 0.957 152 E CB -0.202 29.514 29.700 0.027 0.000 0.952 152 E HN 1.128 nan 8.360 nan 0.000 0.448 153 G N 1.458 110.282 108.800 0.039 0.000 2.205 153 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.269 153 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.269 153 G C 0.413 175.324 174.900 0.018 0.000 0.977 153 G CA 0.389 45.504 45.100 0.026 0.000 0.652 153 G HN 0.784 nan 8.290 nan 0.000 0.539 154 A N -0.568 122.263 122.820 0.019 0.000 2.366 154 A HA 0.668 4.988 4.320 -0.000 0.000 0.249 154 A C 0.343 177.927 177.584 -0.001 0.000 1.084 154 A CA 0.263 52.304 52.037 0.006 0.000 0.794 154 A CB 0.660 19.662 19.000 0.003 0.000 1.034 154 A HN 1.440 nan 8.150 nan 0.000 0.491 155 L N 2.249 123.468 121.223 -0.006 0.000 2.276 155 L HA 0.581 4.921 4.340 -0.000 0.000 0.286 155 L C -0.195 176.663 176.870 -0.019 0.000 1.061 155 L CA -0.150 54.686 54.840 -0.007 0.000 0.807 155 L CB 1.039 43.094 42.059 -0.006 0.000 1.177 155 L HN 0.621 nan 8.230 nan 0.000 0.429 156 V N 1.560 121.463 119.914 -0.019 0.000 2.628 156 V HA 0.863 4.983 4.120 -0.000 0.000 0.306 156 V C -0.156 175.924 176.094 -0.023 0.000 1.045 156 V CA -0.405 61.874 62.300 -0.036 0.000 0.905 156 V CB 1.425 33.208 31.823 -0.067 0.000 0.997 156 V HN 0.834 nan 8.190 nan 0.000 0.436 157 T N 1.888 116.422 114.554 -0.033 0.000 2.863 157 T HA 0.431 4.781 4.350 -0.000 0.000 0.285 157 T C -0.260 174.411 174.700 -0.049 0.000 1.009 157 T CA -0.547 61.536 62.100 -0.029 0.000 0.989 157 T CB 1.495 70.349 68.868 -0.024 0.000 1.004 157 T HN 0.816 nan 8.240 nan 0.000 0.455 158 N N 0.969 119.635 118.700 -0.057 0.000 2.492 158 N HA 0.310 5.050 4.740 -0.000 0.000 0.262 158 N C 1.439 176.904 175.510 -0.074 0.000 1.202 158 N CA 1.500 54.496 53.050 -0.091 0.000 0.926 158 N CB 0.115 38.533 38.487 -0.114 0.000 1.078 158 N HN 1.101 nan 8.380 nan 0.000 0.454 159 G N 1.971 110.722 108.800 -0.081 0.000 2.162 159 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.260 159 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.260 159 G C 0.042 174.915 174.900 -0.046 0.000 0.976 159 G CA 0.777 45.841 45.100 -0.061 0.000 0.655 159 G HN 0.927 nan 8.290 nan 0.000 0.533 160 Q N -0.297 119.475 119.800 -0.047 0.000 2.395 160 Q HA 0.683 5.023 4.340 -0.000 0.000 0.271 160 Q C 1.639 177.619 176.000 -0.033 0.000 1.026 160 Q CA 0.455 56.236 55.803 -0.037 0.000 0.900 160 Q CB 0.914 29.628 28.738 -0.039 0.000 1.266 160 Q HN 0.914 nan 8.270 nan 0.000 0.430 161 A N 4.138 126.943 122.820 -0.025 0.000 1.836 161 A HA -0.234 4.086 4.320 -0.000 0.000 0.215 161 A C 0.422 177.995 177.584 -0.019 0.000 1.214 161 A CA 1.652 53.677 52.037 -0.020 0.000 0.636 161 A CB -1.222 17.769 19.000 -0.015 0.000 0.847 161 A HN 0.945 nan 8.150 nan 0.000 0.451 162 N N 0.106 118.796 118.700 -0.016 0.000 2.458 162 N HA 0.402 5.142 4.740 -0.000 0.000 0.258 162 N C -0.157 175.343 175.510 -0.018 0.000 1.219 162 N CA 0.019 53.062 53.050 -0.012 0.000 0.902 162 N CB 0.549 39.031 38.487 -0.008 0.000 1.076 162 N HN 0.625 nan 8.380 nan 0.000 0.455 163 A N 2.196 125.011 122.820 -0.010 0.000 2.304 163 A HA 0.221 4.541 4.320 -0.000 0.000 0.271 163 A C 1.044 178.625 177.584 -0.004 0.000 1.091 163 A CA -0.336 51.695 52.037 -0.011 0.000 0.812 163 A CB 0.476 19.477 19.000 0.001 0.000 1.056 163 A HN 0.781 nan 8.150 nan 0.000 0.489 164 M N 0.442 120.033 119.600 -0.016 0.000 2.160 164 M HA 0.181 4.661 4.480 -0.000 0.000 0.264 164 M C 0.871 177.253 176.300 0.137 0.000 1.073 164 M CA 1.901 57.196 55.300 -0.009 0.000 1.142 164 M CB -0.075 32.409 32.600 -0.194 0.000 1.358 164 M HN 0.842 nan 8.290 nan 0.000 0.422 165 A N -0.924 121.976 122.820 0.132 0.000 2.568 165 A HA 0.725 5.045 4.320 -0.000 0.000 0.291 165 A C -1.077 176.532 177.584 0.041 0.000 1.159 165 A CA -0.678 51.438 52.037 0.131 0.000 0.679 165 A CB 1.275 20.375 19.000 0.166 0.000 1.285 165 A HN 0.115 nan 8.150 nan 0.000 0.428 166 T N 0.685 115.246 114.554 0.011 0.000 3.031 166 T HA 0.522 4.872 4.350 -0.000 0.000 0.305 166 T C -1.056 173.623 174.700 -0.035 0.000 0.985 166 T CA -0.336 61.759 62.100 -0.009 0.000 1.008 166 T CB 1.208 70.081 68.868 0.009 0.000 1.005 166 T HN 0.696 nan 8.240 nan 0.000 0.444 167 V N 4.270 124.155 119.914 -0.049 0.000 2.439 167 V HA 0.440 4.560 4.120 -0.000 0.000 0.282 167 V C -0.048 176.031 176.094 -0.025 0.000 1.039 167 V CA -0.566 61.700 62.300 -0.056 0.000 0.913 167 V CB 1.380 33.158 31.823 -0.074 0.000 0.983 167 V HN 0.806 nan 8.190 nan 0.000 0.460 168 Q N 3.169 122.959 119.800 -0.018 0.000 2.375 168 Q HA 0.481 4.821 4.340 -0.000 0.000 0.271 168 Q C -0.934 175.065 176.000 -0.001 0.000 1.074 168 Q CA -0.641 55.161 55.803 -0.002 0.000 0.808 168 Q CB 2.943 31.683 28.738 0.003 0.000 1.327 168 Q HN 0.698 nan 8.270 nan 0.000 0.441 169 Q N 2.547 122.357 119.800 0.017 0.000 2.331 169 Q HA 0.212 4.552 4.340 -0.000 0.000 0.257 169 Q C -0.227 175.771 176.000 -0.004 0.000 0.957 169 Q CA -0.191 55.617 55.803 0.008 0.000 0.923 169 Q CB 0.647 29.418 28.738 0.054 0.000 1.212 169 Q HN 0.551 nan 8.270 nan 0.000 0.443 170 L N 2.971 124.175 121.223 -0.031 0.000 2.693 170 L HA 0.324 4.664 4.340 -0.000 0.000 0.235 170 L C -0.418 176.414 176.870 -0.063 0.000 1.127 170 L CA 0.450 55.271 54.840 -0.032 0.000 0.914 170 L CB -0.123 41.926 42.059 -0.015 0.000 1.193 170 L HN 0.636 nan 8.230 nan 0.000 0.502 171 D N 0.294 120.624 120.400 -0.117 0.000 2.616 171 D HA 0.422 5.062 4.640 -0.000 0.000 0.238 171 D C -2.490 173.618 176.300 -0.319 0.000 1.354 171 D CA -1.087 52.819 54.000 -0.158 0.000 0.970 171 D CB 2.584 43.328 40.800 -0.094 0.000 1.369 171 D HN -0.125 nan 8.370 nan 0.000 0.585 172 P HA 0.370 nan 4.420 nan 0.000 0.275 172 P C -0.651 176.491 177.300 -0.263 0.000 1.270 172 P CA -0.548 62.329 63.100 -0.371 0.000 0.791 172 P CB 0.832 32.237 31.700 -0.493 0.000 1.089 173 I N -1.608 118.909 120.570 -0.090 0.000 3.206 173 I HA 0.429 4.599 4.170 -0.000 0.000 0.313 173 I C -1.110 175.050 176.117 0.071 0.000 1.103 173 I CA -1.077 60.209 61.300 -0.022 0.000 0.985 173 I CB 1.471 39.481 38.000 0.016 0.000 1.240 173 I HN 0.144 nan 8.210 nan 0.000 0.464 174 Y N 2.220 122.588 120.300 0.113 0.000 2.587 174 Y HA 0.628 5.178 4.550 -0.000 0.000 0.337 174 Y C -0.472 175.437 175.900 0.016 0.000 1.065 174 Y CA -1.222 56.905 58.100 0.046 0.000 1.126 174 Y CB 2.006 40.474 38.460 0.013 0.000 1.279 174 Y HN 0.068 nan 8.280 nan 0.000 0.489 175 V N 2.521 122.527 119.914 0.153 0.000 2.516 175 V HA 0.178 4.298 4.120 -0.000 0.000 0.271 175 V C -1.214 174.873 176.094 -0.011 0.000 0.992 175 V CA -1.150 61.195 62.300 0.075 0.000 0.857 175 V CB 0.981 32.859 31.823 0.092 0.000 1.047 175 V HN 0.625 nan 8.190 nan 0.000 0.455 176 D N 3.350 123.745 120.400 -0.010 0.000 2.363 176 D HA 0.214 4.854 4.640 -0.000 0.000 0.263 176 D C 0.039 176.312 176.300 -0.045 0.000 1.258 176 D CA 0.451 54.416 54.000 -0.059 0.000 0.907 176 D CB 1.766 42.541 40.800 -0.041 0.000 1.107 176 D HN 0.280 nan 8.370 nan 0.000 0.495 177 V N 2.904 122.777 119.914 -0.070 0.000 2.398 177 V HA 0.244 4.364 4.120 -0.000 0.000 0.286 177 V C 0.759 176.822 176.094 -0.051 0.000 1.026 177 V CA -0.597 61.668 62.300 -0.058 0.000 0.868 177 V CB 1.821 33.607 31.823 -0.061 0.000 0.982 177 V HN 0.389 nan 8.190 nan 0.000 0.443 178 T N 5.519 120.045 114.554 -0.045 0.000 2.733 178 T HA 0.425 4.775 4.350 -0.000 0.000 0.294 178 T C -0.357 174.327 174.700 -0.027 0.000 0.956 178 T CA -0.331 61.748 62.100 -0.037 0.000 0.987 178 T CB 0.512 69.357 68.868 -0.038 0.000 0.920 178 T HN 0.585 nan 8.240 nan 0.000 0.470 179 Q N 3.292 123.083 119.800 -0.015 0.000 2.394 179 Q HA 0.445 4.785 4.340 -0.000 0.000 0.273 179 Q C -2.597 173.402 176.000 -0.001 0.000 1.089 179 Q CA -2.599 53.202 55.803 -0.002 0.000 0.812 179 Q CB 1.886 30.634 28.738 0.016 0.000 1.353 179 Q HN 0.321 nan 8.270 nan 0.000 0.438 180 P HA 0.039 nan 4.420 nan 0.000 0.267 180 P C 0.426 177.727 177.300 0.001 0.000 1.200 180 P CA 0.394 63.493 63.100 -0.001 0.000 0.772 180 P CB 0.691 32.391 31.700 -0.000 0.000 0.855 181 S N 1.833 117.532 115.700 -0.002 0.000 2.422 181 S HA -0.270 4.200 4.470 -0.000 0.000 0.248 181 S C 1.894 176.493 174.600 -0.001 0.000 1.069 181 S CA 2.669 60.868 58.200 -0.002 0.000 1.214 181 S CB -1.707 61.490 63.200 -0.005 0.000 1.122 181 S HN 0.772 nan 8.310 nan 0.000 0.432 182 T N 0.628 115.180 114.554 -0.003 0.000 2.951 182 T HA 0.175 4.525 4.350 -0.000 0.000 0.268 182 T C 1.862 176.560 174.700 -0.003 0.000 1.073 182 T CA 1.115 63.211 62.100 -0.006 0.000 1.134 182 T CB -0.606 68.257 68.868 -0.007 0.000 0.884 182 T HN 0.429 nan 8.240 nan 0.000 0.479 183 A N 1.728 124.550 122.820 0.004 0.000 1.958 183 A HA -0.012 4.308 4.320 -0.000 0.000 0.221 183 A C 2.279 179.874 177.584 0.020 0.000 1.178 183 A CA 1.844 53.888 52.037 0.012 0.000 0.642 183 A CB -0.969 18.041 19.000 0.017 0.000 0.816 183 A HN 0.519 nan 8.150 nan 0.000 0.453 184 L N -0.950 120.287 121.223 0.024 0.000 1.988 184 L HA -0.095 4.245 4.340 -0.000 0.000 0.207 184 L C 2.234 179.099 176.870 -0.008 0.000 1.071 184 L CA 2.184 57.051 54.840 0.044 0.000 0.744 184 L CB -0.672 41.417 42.059 0.051 0.000 0.893 184 L HN 0.312 nan 8.230 nan 0.000 0.433 185 L N 0.052 121.261 121.223 -0.024 0.000 2.129 185 L HA -0.244 4.096 4.340 -0.000 0.000 0.212 185 L C 2.718 179.539 176.870 -0.081 0.000 1.087 185 L CA 2.120 56.926 54.840 -0.056 0.000 0.757 185 L CB -0.836 41.201 42.059 -0.037 0.000 0.896 185 L HN 0.452 nan 8.230 nan 0.000 0.434 186 R N -0.593 119.873 120.500 -0.056 0.000 2.075 186 R HA -0.156 4.184 4.340 -0.000 0.000 0.230 186 R C 2.284 178.525 176.300 -0.098 0.000 1.140 186 R CA 2.139 58.204 56.100 -0.058 0.000 0.928 186 R CB -0.513 29.771 30.300 -0.027 0.000 0.834 186 R HN 0.455 nan 8.270 nan 0.000 0.429 187 L N 0.504 121.673 121.223 -0.090 0.000 2.189 187 L HA -0.187 4.153 4.340 -0.000 0.000 0.214 187 L C 2.708 179.311 176.870 -0.445 0.000 1.097 187 L CA 1.370 56.125 54.840 -0.142 0.000 0.764 187 L CB -0.554 41.525 42.059 0.033 0.000 0.900 187 L HN 0.292 nan 8.230 nan 0.000 0.436 188 R N -0.012 120.214 120.500 -0.456 0.000 2.075 188 R HA -0.104 4.236 4.340 -0.000 0.000 0.232 188 R C 2.481 178.563 176.300 -0.364 0.000 1.126 188 R CA 1.066 56.816 56.100 -0.584 0.000 0.963 188 R CB -0.277 29.833 30.300 -0.316 0.000 0.858 188 R HN 0.389 nan 8.270 nan 0.000 0.435 189 R N 1.098 121.467 120.500 -0.219 0.000 2.082 189 R HA -0.156 4.184 4.340 -0.000 0.000 0.234 189 R C 2.193 178.411 176.300 -0.137 0.000 1.136 189 R CA 1.739 57.755 56.100 -0.140 0.000 0.935 189 R CB -0.342 29.902 30.300 -0.092 0.000 0.842 189 R HN 0.354 nan 8.270 nan 0.000 0.430 190 E N 0.772 120.892 120.200 -0.133 0.000 2.169 190 E HA -0.261 4.089 4.350 -0.000 0.000 0.202 190 E C 1.974 178.515 176.600 -0.099 0.000 1.016 190 E CA 1.418 57.762 56.400 -0.093 0.000 0.817 190 E CB -0.279 29.380 29.700 -0.068 0.000 0.736 190 E HN 0.158 nan 8.360 nan 0.000 0.462 191 L N 0.878 121.986 121.223 -0.191 0.000 1.989 191 L HA -0.179 4.161 4.340 -0.000 0.000 0.211 191 L C 2.199 179.025 176.870 -0.074 0.000 1.071 191 L CA 2.261 57.017 54.840 -0.140 0.000 0.749 191 L CB -0.767 41.113 42.059 -0.299 0.000 0.890 191 L HN 0.053 nan 8.230 nan 0.000 0.431 192 A N -0.259 122.504 122.820 -0.096 0.000 1.841 192 A HA -0.246 4.074 4.320 -0.000 0.000 0.216 192 A C 2.469 180.031 177.584 -0.035 0.000 1.199 192 A CA 2.900 54.903 52.037 -0.056 0.000 0.621 192 A CB -1.556 17.406 19.000 -0.063 0.000 0.835 192 A HN 0.739 nan 8.150 nan 0.000 0.445 193 S N -1.229 114.448 115.700 -0.039 0.000 2.427 193 S HA 0.111 4.581 4.470 -0.000 0.000 0.231 193 S C 1.627 176.219 174.600 -0.013 0.000 1.045 193 S CA 2.456 60.641 58.200 -0.024 0.000 1.154 193 S CB -0.975 62.210 63.200 -0.025 0.000 1.093 193 S HN 1.974 nan 8.310 nan 0.000 0.422 194 G N -0.168 108.627 108.800 -0.009 0.000 3.987 194 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.220 194 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.220 194 G C 0.724 175.630 174.900 0.010 0.000 0.871 194 G CA 0.584 45.687 45.100 0.004 0.000 0.881 194 G HN 0.551 nan 8.290 nan 0.000 0.674 195 Q N -0.434 119.368 119.800 0.004 0.000 2.368 195 Q HA 0.077 4.417 4.340 -0.000 0.000 0.210 195 Q C 0.148 176.163 176.000 0.026 0.000 0.982 195 Q CA 0.831 56.641 55.803 0.011 0.000 0.884 195 Q CB -0.088 28.652 28.738 0.003 0.000 0.933 195 Q HN 0.347 nan 8.270 nan 0.000 0.460 196 L N 1.231 122.472 121.223 0.030 0.000 2.313 196 L HA 0.255 4.595 4.340 -0.000 0.000 0.283 196 L C -0.525 176.385 176.870 0.068 0.000 1.013 196 L CA -0.189 54.688 54.840 0.062 0.000 0.816 196 L CB 1.754 43.862 42.059 0.082 0.000 1.236 196 L HN 0.034 nan 8.230 nan 0.000 0.419 197 E N 4.197 124.441 120.200 0.074 0.000 1.939 197 E HA -0.010 4.340 4.350 -0.000 0.000 0.259 197 E C 0.208 176.855 176.600 0.079 0.000 1.259 197 E CA -0.252 56.188 56.400 0.067 0.000 0.971 197 E CB 0.102 29.840 29.700 0.064 0.000 1.055 197 E HN 0.359 nan 8.360 nan 0.000 0.420 198 R N 2.904 123.447 120.500 0.073 0.000 2.500 198 R HA -0.139 4.201 4.340 -0.000 0.000 0.281 198 R C 0.259 176.602 176.300 0.071 0.000 0.953 198 R CA 0.966 57.114 56.100 0.080 0.000 1.108 198 R CB 0.449 30.785 30.300 0.059 0.000 0.901 198 R HN 0.584 nan 8.270 nan 0.000 0.410 199 A N 3.292 126.157 122.820 0.076 0.000 2.211 199 A HA 0.340 4.660 4.320 -0.000 0.000 0.208 199 A C 0.515 178.125 177.584 0.044 0.000 1.250 199 A CA 0.739 52.807 52.037 0.053 0.000 0.935 199 A CB 0.755 19.776 19.000 0.036 0.000 0.982 199 A HN 0.810 nan 8.150 nan 0.000 0.490 200 G N -1.195 107.638 108.800 0.055 0.000 2.600 200 G HA2 0.411 4.371 3.960 -0.000 0.000 0.293 200 G HA3 0.411 4.371 3.960 -0.000 0.000 0.293 200 G C -1.040 173.896 174.900 0.059 0.000 1.408 200 G CA -0.073 45.056 45.100 0.047 0.000 0.782 200 G HN -0.140 nan 8.290 nan 0.000 0.482 201 D N -0.827 119.602 120.400 0.049 0.000 2.393 201 D HA -0.039 4.601 4.640 -0.000 0.000 0.220 201 D C 1.173 177.512 176.300 0.065 0.000 0.974 201 D CA 1.518 55.547 54.000 0.047 0.000 0.931 201 D CB 0.308 41.129 40.800 0.036 0.000 0.889 201 D HN 0.335 nan 8.370 nan 0.000 0.512 202 N N -1.513 117.244 118.700 0.094 0.000 2.093 202 N HA 0.214 4.954 4.740 -0.000 0.000 0.226 202 N C -1.578 174.099 175.510 0.279 0.000 1.388 202 N CA 0.059 53.202 53.050 0.156 0.000 0.752 202 N CB 0.638 39.194 38.487 0.115 0.000 1.240 202 N HN 0.022 nan 8.380 nan 0.000 0.529 203 A N -0.051 122.883 122.820 0.190 0.000 2.475 203 A HA 0.907 5.227 4.320 -0.000 0.000 0.301 203 A C -0.863 176.798 177.584 0.130 0.000 1.059 203 A CA -0.360 51.720 52.037 0.072 0.000 0.710 203 A CB 1.374 20.324 19.000 -0.084 0.000 1.288 203 A HN 0.228 nan 8.150 nan 0.000 0.408 204 A N 1.418 124.295 122.820 0.096 0.000 2.312 204 A HA 0.658 4.978 4.320 -0.000 0.000 0.328 204 A C 0.032 177.637 177.584 0.035 0.000 1.158 204 A CA -0.618 51.511 52.037 0.154 0.000 0.821 204 A CB 0.488 19.679 19.000 0.319 0.000 1.170 204 A HN 0.758 nan 8.150 nan 0.000 0.490 205 K N 0.301 120.742 120.400 0.067 0.000 2.382 205 K HA 0.402 4.722 4.320 -0.000 0.000 0.275 205 K C -0.255 176.399 176.600 0.090 0.000 1.009 205 K CA 0.162 56.490 56.287 0.069 0.000 0.970 205 K CB 0.629 33.178 32.500 0.081 0.000 0.934 205 K HN 0.662 nan 8.250 nan 0.000 0.479 206 V N -1.518 118.477 119.914 0.134 0.000 3.206 206 V HA 0.600 4.720 4.120 -0.000 0.000 0.305 206 V C -0.556 175.774 176.094 0.393 0.000 1.257 206 V CA -1.098 61.324 62.300 0.204 0.000 1.057 206 V CB 1.736 33.642 31.823 0.139 0.000 1.075 206 V HN 0.858 nan 8.190 nan 0.000 0.443 207 S N 1.208 117.107 115.700 0.332 0.000 2.715 207 S HA 0.936 5.406 4.470 -0.000 0.000 0.307 207 S C -1.157 173.530 174.600 0.145 0.000 1.119 207 S CA -0.752 57.568 58.200 0.200 0.000 0.937 207 S CB 1.901 65.159 63.200 0.096 0.000 1.150 207 S HN 1.468 nan 8.310 nan 0.000 0.521 208 L N 0.612 121.717 121.223 -0.196 0.000 2.381 208 L HA 0.659 4.999 4.340 -0.000 0.000 0.268 208 L C -0.900 175.950 176.870 -0.035 0.000 0.997 208 L CA -0.372 54.357 54.840 -0.185 0.000 0.818 208 L CB 1.907 43.534 42.059 -0.721 0.000 1.310 208 L HN 0.911 nan 8.230 nan 0.000 0.416 209 K N 5.355 125.784 120.400 0.048 0.000 2.572 209 K HA 0.469 4.789 4.320 -0.000 0.000 0.244 209 K C -1.118 175.528 176.600 0.077 0.000 0.965 209 K CA -0.593 55.729 56.287 0.058 0.000 0.943 209 K CB 0.732 33.264 32.500 0.054 0.000 1.154 209 K HN 0.646 nan 8.250 nan 0.000 0.447 210 L N 2.656 123.916 121.223 0.061 0.000 2.506 210 L HA -0.030 4.310 4.340 -0.000 0.000 0.281 210 L C 1.807 178.723 176.870 0.076 0.000 1.228 210 L CA 0.236 55.116 54.840 0.067 0.000 0.850 210 L CB 0.267 42.362 42.059 0.061 0.000 1.110 210 L HN 0.778 nan 8.230 nan 0.000 0.496 211 E N 1.673 121.935 120.200 0.102 0.000 2.208 211 E HA -0.315 4.035 4.350 -0.000 0.000 0.202 211 E C 1.387 178.027 176.600 0.067 0.000 1.014 211 E CA 2.264 58.734 56.400 0.117 0.000 0.819 211 E CB 0.101 29.884 29.700 0.139 0.000 0.735 211 E HN 0.943 nan 8.360 nan 0.000 0.469 212 D N -1.814 118.614 120.400 0.047 0.000 2.178 212 D HA -0.057 4.583 4.640 -0.000 0.000 0.202 212 D C 1.402 177.712 176.300 0.016 0.000 0.974 212 D CA 1.223 55.241 54.000 0.030 0.000 0.841 212 D CB -0.061 40.754 40.800 0.025 0.000 0.953 212 D HN 0.295 nan 8.370 nan 0.000 0.478 213 G N -0.535 108.273 108.800 0.013 0.000 2.151 213 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.140 213 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.140 213 G C 0.132 175.032 174.900 0.001 0.000 1.020 213 G CA 0.042 45.139 45.100 -0.006 0.000 0.688 213 G HN 0.783 nan 8.290 nan 0.000 0.500 214 S N -0.796 114.912 115.700 0.013 0.000 2.654 214 S HA 0.724 5.194 4.470 -0.000 0.000 0.283 214 S C -0.157 174.455 174.600 0.021 0.000 1.180 214 S CA -0.591 57.616 58.200 0.012 0.000 1.021 214 S CB 2.325 65.533 63.200 0.013 0.000 1.018 214 S HN 0.417 nan 8.310 nan 0.000 0.532 215 Q N 1.446 121.251 119.800 0.008 0.000 2.377 215 Q HA 0.273 4.613 4.340 -0.000 0.000 0.249 215 Q C -1.368 174.636 176.000 0.006 0.000 1.005 215 Q CA -0.479 55.329 55.803 0.009 0.000 0.912 215 Q CB -0.009 28.724 28.738 -0.008 0.000 1.223 215 Q HN 0.679 nan 8.270 nan 0.000 0.459 216 Y N 7.895 128.130 120.300 -0.109 0.000 2.729 216 Y HA 0.036 4.586 4.550 0.000 0.000 0.331 216 Y C -1.491 174.327 175.900 -0.137 0.000 1.208 216 Y CA -1.310 56.705 58.100 -0.142 0.000 1.521 216 Y CB 0.619 38.937 38.460 -0.237 0.000 1.233 216 Y HN 0.677 nan 8.280 nan 0.000 0.539 217 P HA -0.274 nan 4.420 nan 0.000 0.214 217 P C 0.167 177.285 177.300 -0.303 0.000 1.172 217 P CA 1.482 64.349 63.100 -0.388 0.000 0.925 217 P CB 0.209 31.660 31.700 -0.414 0.000 0.793 218 L N -0.828 120.138 121.223 -0.429 0.000 2.475 218 L HA 0.156 4.496 4.340 -0.000 0.000 0.250 218 L C 1.047 177.973 176.870 0.093 0.000 1.224 218 L CA 0.640 55.433 54.840 -0.078 0.000 0.821 218 L CB -0.388 41.691 42.059 0.033 0.000 1.141 218 L HN 0.009 nan 8.230 nan 0.000 0.494 219 E N -1.581 118.723 120.200 0.172 0.000 2.393 219 E HA 0.749 5.099 4.350 -0.000 0.000 0.273 219 E C -0.731 176.134 176.600 0.441 0.000 0.918 219 E CA -0.669 55.900 56.400 0.281 0.000 0.773 219 E CB 2.184 32.001 29.700 0.195 0.000 1.275 219 E HN 0.670 nan 8.360 nan 0.000 0.451 220 G N 0.359 109.549 108.800 0.649 0.000 2.721 220 G HA2 0.402 4.362 3.960 -0.000 0.000 0.296 220 G HA3 0.402 4.362 3.960 -0.000 0.000 0.296 220 G C -0.898 173.987 174.900 -0.026 0.000 1.383 220 G CA -0.777 44.482 45.100 0.265 0.000 0.788 220 G HN 0.278 nan 8.290 nan 0.000 0.500 221 R N -1.520 118.911 120.500 -0.115 0.000 2.919 221 R HA 0.433 4.773 4.340 -0.000 0.000 0.284 221 R C -0.763 175.356 176.300 -0.300 0.000 1.104 221 R CA -0.155 55.853 56.100 -0.153 0.000 1.207 221 R CB 0.231 30.474 30.300 -0.094 0.000 1.162 221 R HN 0.384 nan 8.270 nan 0.000 0.561 222 L N 1.251 122.292 121.223 -0.304 0.000 2.367 222 L HA 0.154 4.494 4.340 -0.000 0.000 0.263 222 L C -1.243 175.280 176.870 -0.579 0.000 1.533 222 L CA -0.088 54.483 54.840 -0.449 0.000 0.761 222 L CB 0.813 42.577 42.059 -0.493 0.000 0.943 222 L HN 0.422 nan 8.230 nan 0.000 0.526 223 E N 1.573 121.562 120.200 -0.352 0.000 2.652 223 E HA -0.051 4.299 4.350 -0.000 0.000 0.255 223 E C 0.417 176.820 176.600 -0.327 0.000 0.952 223 E CA 0.551 56.800 56.400 -0.252 0.000 0.947 223 E CB 0.328 29.943 29.700 -0.140 0.000 0.912 223 E HN 0.439 nan 8.360 nan 0.000 0.489 224 F N 0.705 120.627 119.950 -0.046 0.000 2.780 224 F HA -0.047 4.480 4.527 -0.000 0.000 0.299 224 F C 1.727 177.498 175.800 -0.047 0.000 1.146 224 F CA 0.156 58.130 58.000 -0.044 0.000 1.428 224 F CB 0.174 39.156 39.000 -0.030 0.000 1.115 224 F HN 0.160 nan 8.300 nan 0.000 0.583 225 S N 1.417 117.163 115.700 0.076 0.000 2.537 225 S HA -0.047 4.423 4.470 -0.000 0.000 0.286 225 S C 0.262 174.854 174.600 -0.012 0.000 1.299 225 S CA -0.659 57.558 58.200 0.029 0.000 1.067 225 S CB 0.149 63.348 63.200 -0.003 0.000 0.864 225 S HN 0.318 nan 8.310 nan 0.000 0.494 226 E N 3.594 123.791 120.200 -0.005 0.000 2.392 226 E HA 0.077 4.427 4.350 -0.000 0.000 0.264 226 E C 0.251 176.817 176.600 -0.056 0.000 1.024 226 E CA -0.152 56.232 56.400 -0.026 0.000 0.903 226 E CB 0.934 30.625 29.700 -0.014 0.000 0.963 226 E HN 0.535 nan 8.360 nan 0.000 0.432 227 V N 2.675 122.543 119.914 -0.076 0.000 2.908 227 V HA 0.107 4.227 4.120 -0.000 0.000 0.240 227 V C 0.741 176.793 176.094 -0.071 0.000 1.117 227 V CA 0.791 63.033 62.300 -0.097 0.000 1.133 227 V CB 0.654 32.389 31.823 -0.147 0.000 0.857 227 V HN 0.675 nan 8.190 nan 0.000 0.478 228 S N -0.876 114.789 115.700 -0.059 0.000 2.552 228 S HA 0.600 5.070 4.470 -0.000 0.000 0.272 228 S C -1.432 173.147 174.600 -0.034 0.000 1.150 228 S CA -0.119 58.054 58.200 -0.044 0.000 0.849 228 S CB 1.851 65.024 63.200 -0.045 0.000 1.113 228 S HN 0.499 nan 8.310 nan 0.000 0.458 229 V N 0.646 120.544 119.914 -0.026 0.000 3.074 229 V HA 0.760 4.880 4.120 -0.000 0.000 0.314 229 V C -1.099 174.984 176.094 -0.018 0.000 1.117 229 V CA -0.761 61.527 62.300 -0.021 0.000 1.014 229 V CB 2.030 33.843 31.823 -0.017 0.000 1.057 229 V HN 0.870 nan 8.190 nan 0.000 0.438 230 D N 1.110 121.501 120.400 -0.016 0.000 2.473 230 D HA 0.294 4.934 4.640 -0.000 0.000 0.226 230 D C 0.813 177.106 176.300 -0.012 0.000 1.089 230 D CA -0.233 53.759 54.000 -0.014 0.000 0.883 230 D CB 1.791 42.583 40.800 -0.014 0.000 1.029 230 D HN 0.678 nan 8.370 nan 0.000 0.517 231 E N 1.939 122.132 120.200 -0.011 0.000 2.136 231 E HA -0.201 4.149 4.350 -0.000 0.000 0.208 231 E C 1.779 178.374 176.600 -0.009 0.000 1.035 231 E CA 1.805 58.199 56.400 -0.010 0.000 0.838 231 E CB -0.243 29.451 29.700 -0.009 0.000 0.748 231 E HN 0.665 nan 8.360 nan 0.000 0.459 232 G N -0.085 108.710 108.800 -0.009 0.000 2.752 232 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.209 232 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.209 232 G C 1.625 176.520 174.900 -0.009 0.000 1.392 232 G CA 2.226 47.321 45.100 -0.008 0.000 0.873 232 G HN 0.427 nan 8.290 nan 0.000 0.586 233 T N -1.282 113.267 114.554 -0.009 0.000 2.620 233 T HA 0.061 4.411 4.350 -0.000 0.000 0.267 233 T C 2.131 176.825 174.700 -0.010 0.000 1.044 233 T CA 2.541 64.635 62.100 -0.010 0.000 1.161 233 T CB -0.868 67.993 68.868 -0.012 0.000 0.862 233 T HN 1.987 nan 8.240 nan 0.000 0.438 234 G N 0.059 108.853 108.800 -0.010 0.000 2.201 234 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.212 234 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.212 234 G C 0.248 175.142 174.900 -0.010 0.000 0.994 234 G CA 0.131 45.225 45.100 -0.010 0.000 0.644 234 G HN 0.946 nan 8.290 nan 0.000 0.508 235 S N 0.717 116.410 115.700 -0.012 0.000 2.488 235 S HA 0.495 4.965 4.470 -0.000 0.000 0.278 235 S C 0.685 175.276 174.600 -0.014 0.000 1.259 235 S CA -0.187 58.006 58.200 -0.012 0.000 1.061 235 S CB 2.062 65.252 63.200 -0.016 0.000 0.910 235 S HN 0.625 nan 8.310 nan 0.000 0.491 236 V N 3.620 123.528 119.914 -0.011 0.000 2.686 236 V HA 0.521 4.641 4.120 -0.000 0.000 0.295 236 V C 0.709 176.791 176.094 -0.020 0.000 1.057 236 V CA -0.602 61.690 62.300 -0.013 0.000 1.012 236 V CB 1.509 33.329 31.823 -0.004 0.000 1.006 236 V HN 0.989 nan 8.190 nan 0.000 0.477 237 T N 2.105 116.640 114.554 -0.032 0.000 2.840 237 T HA 0.782 5.132 4.350 -0.000 0.000 0.287 237 T C -0.907 173.752 174.700 -0.070 0.000 0.991 237 T CA -0.577 61.495 62.100 -0.048 0.000 0.964 237 T CB 1.067 69.904 68.868 -0.053 0.000 0.954 237 T HN 0.483 nan 8.240 nan 0.000 0.438 238 I N 0.354 120.874 120.570 -0.083 0.000 2.740 238 I HA 0.808 4.978 4.170 -0.000 0.000 0.303 238 I C -0.209 175.802 176.117 -0.176 0.000 1.044 238 I CA -1.671 59.554 61.300 -0.125 0.000 1.064 238 I CB 1.982 39.921 38.000 -0.102 0.000 1.249 238 I HN 0.872 nan 8.210 nan 0.000 0.433 239 R N 3.143 123.491 120.500 -0.254 0.000 2.637 239 R HA 0.975 5.315 4.340 -0.000 0.000 0.291 239 R C -0.746 175.373 176.300 -0.303 0.000 0.963 239 R CA -0.846 55.073 56.100 -0.302 0.000 0.901 239 R CB 1.634 31.629 30.300 -0.509 0.000 1.160 239 R HN 0.864 nan 8.270 nan 0.000 0.457 240 A N 1.867 124.533 122.820 -0.258 0.000 2.274 240 A HA 0.650 4.970 4.320 -0.000 0.000 0.297 240 A C -0.522 176.947 177.584 -0.191 0.000 1.191 240 A CA -0.815 51.021 52.037 -0.334 0.000 0.889 240 A CB 1.175 19.866 19.000 -0.514 0.000 1.294 240 A HN 0.469 nan 8.150 nan 0.000 0.506 241 V N 0.557 120.289 119.914 -0.304 0.000 2.516 241 V HA 0.316 4.436 4.120 -0.000 0.000 0.271 241 V C -1.580 174.423 176.094 -0.151 0.000 0.992 241 V CA -0.166 62.109 62.300 -0.042 0.000 0.857 241 V CB 0.102 32.003 31.823 0.129 0.000 1.047 241 V HN 0.606 nan 8.190 nan 0.000 0.455 242 F N 4.309 124.286 119.950 0.044 0.000 2.399 242 F HA 0.671 5.198 4.527 -0.000 0.000 0.334 242 F C -2.173 173.617 175.800 -0.017 0.000 1.097 242 F CA -2.887 55.111 58.000 -0.004 0.000 1.076 242 F CB 1.507 40.440 39.000 -0.111 0.000 1.162 242 F HN 0.222 nan 8.300 nan 0.000 0.495 243 P HA 0.170 nan 4.420 nan 0.000 0.280 243 P C -0.741 176.666 177.300 0.179 0.000 1.244 243 P CA -0.229 62.953 63.100 0.137 0.000 0.784 243 P CB 0.602 32.378 31.700 0.126 0.000 0.913 244 N N 3.643 122.398 118.700 0.091 0.000 2.790 244 N HA 0.187 4.927 4.740 -0.000 0.000 0.256 244 N C -1.982 173.562 175.510 0.057 0.000 1.409 244 N CA -2.240 50.877 53.050 0.111 0.000 0.799 244 N CB 0.649 39.162 38.487 0.043 0.000 1.170 244 N HN 0.161 nan 8.380 nan 0.000 0.507 245 P HA 0.076 nan 4.420 nan 0.000 0.233 245 P C -0.280 177.029 177.300 0.015 0.000 1.167 245 P CA 0.693 63.804 63.100 0.019 0.000 0.770 245 P CB 0.566 32.274 31.700 0.013 0.000 0.837 246 N N 0.266 118.985 118.700 0.032 0.000 2.351 246 N HA 0.014 4.754 4.740 -0.000 0.000 0.254 246 N C 0.354 175.882 175.510 0.030 0.000 1.241 246 N CA -0.240 52.823 53.050 0.021 0.000 0.883 246 N CB -0.793 37.702 38.487 0.013 0.000 1.202 246 N HN 0.046 nan 8.380 nan 0.000 0.512 247 N N 1.668 120.386 118.700 0.031 0.000 2.701 247 N HA -0.213 4.527 4.740 -0.000 0.000 0.250 247 N C 0.331 175.865 175.510 0.039 0.000 1.046 247 N CA 0.594 53.659 53.050 0.026 0.000 0.733 247 N CB -0.401 38.093 38.487 0.013 0.000 0.973 247 N HN 0.494 nan 8.380 nan 0.000 0.541 248 E N -0.453 119.792 120.200 0.074 0.000 2.152 248 E HA -0.006 4.344 4.350 -0.000 0.000 0.192 248 E C 0.473 177.120 176.600 0.079 0.000 0.983 248 E CA 0.686 57.145 56.400 0.097 0.000 0.818 248 E CB 0.200 30.011 29.700 0.185 0.000 0.758 248 E HN 0.461 nan 8.360 nan 0.000 0.467 249 L N 1.406 122.660 121.223 0.052 0.000 2.325 249 L HA 0.459 4.799 4.340 -0.000 0.000 0.278 249 L C -0.389 176.476 176.870 -0.008 0.000 1.023 249 L CA -0.550 54.285 54.840 -0.008 0.000 0.811 249 L CB 1.289 43.294 42.059 -0.090 0.000 1.249 249 L HN -0.047 nan 8.230 nan 0.000 0.431 250 L N 2.664 123.877 121.223 -0.017 0.000 2.388 250 L HA 0.497 4.837 4.340 -0.000 0.000 0.264 250 L C -2.456 174.398 176.870 -0.027 0.000 0.998 250 L CA -2.059 52.771 54.840 -0.018 0.000 0.817 250 L CB 2.474 44.522 42.059 -0.020 0.000 1.338 250 L HN 0.274 nan 8.230 nan 0.000 0.414 251 P HA 0.067 nan 4.420 nan 0.000 0.258 251 P C 0.617 177.885 177.300 -0.053 0.000 1.187 251 P CA 0.921 64.012 63.100 -0.015 0.000 0.767 251 P CB 0.442 32.141 31.700 -0.002 0.000 0.770 252 G N 2.590 111.345 108.800 -0.076 0.000 2.260 252 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.179 252 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.179 252 G C 0.124 174.821 174.900 -0.340 0.000 1.002 252 G CA -0.585 44.404 45.100 -0.185 0.000 0.677 252 G HN 0.413 nan 8.290 nan 0.000 0.486 253 M N 1.055 120.545 119.600 -0.184 0.000 2.246 253 M HA 0.358 4.838 4.480 -0.000 0.000 0.350 253 M C 0.186 176.464 176.300 -0.037 0.000 1.406 253 M CA 0.353 55.561 55.300 -0.152 0.000 1.089 253 M CB 0.125 32.696 32.600 -0.047 0.000 1.782 253 M HN 0.137 nan 8.290 nan 0.000 0.457 254 F N 3.689 123.662 119.950 0.039 0.000 2.783 254 F HA 0.151 4.678 4.527 -0.000 0.000 0.338 254 F C 0.952 176.801 175.800 0.081 0.000 1.178 254 F CA -1.188 56.837 58.000 0.042 0.000 1.343 254 F CB -0.370 38.660 39.000 0.050 0.000 1.496 254 F HN 0.446 nan 8.300 nan 0.000 0.583 255 V N -1.796 118.255 119.914 0.230 0.000 3.611 255 V HA 0.175 4.295 4.120 -0.000 0.000 0.296 255 V C -0.418 175.792 176.094 0.193 0.000 1.091 255 V CA -0.375 62.053 62.300 0.214 0.000 1.103 255 V CB 0.677 32.576 31.823 0.126 0.000 1.157 255 V HN 0.294 nan 8.190 nan 0.000 0.471 256 H N 0.067 119.189 119.070 0.087 0.000 2.667 256 H HA 0.772 5.328 4.556 -0.000 0.000 0.353 256 H C 0.006 175.398 175.328 0.105 0.000 1.072 256 H CA 0.401 56.499 56.048 0.083 0.000 1.214 256 H CB 1.515 31.315 29.762 0.063 0.000 1.600 256 H HN 1.159 nan 8.280 nan 0.000 0.527 257 A N 3.458 126.385 122.820 0.179 0.000 2.289 257 A HA 0.403 4.723 4.320 -0.000 0.000 0.298 257 A C -0.423 177.268 177.584 0.178 0.000 1.208 257 A CA -0.652 51.508 52.037 0.205 0.000 0.845 257 A CB 0.327 19.406 19.000 0.131 0.000 1.125 257 A HN 0.768 nan 8.150 nan 0.000 0.517 258 Q N 1.170 121.083 119.800 0.188 0.000 2.293 258 Q HA 0.642 4.982 4.340 -0.000 0.000 0.261 258 Q C -1.060 175.020 176.000 0.134 0.000 0.960 258 Q CA -0.568 55.321 55.803 0.143 0.000 0.882 258 Q CB 2.129 30.938 28.738 0.118 0.000 1.275 258 Q HN 0.642 nan 8.270 nan 0.000 0.445 259 L N 0.000 121.289 121.223 0.110 0.000 2.949 259 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 259 L CA 0.000 54.902 54.840 0.104 0.000 0.813 259 L CB 0.000 42.126 42.059 0.112 0.000 0.961 259 L HN 0.000 nan 8.230 nan 0.000 0.502