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 2boq_1_A DATA FIRST_RESID 1 DATA SEQUENCE ATcDDGRTTA NAAccILFPI LDDIQENLFD GAQcGEEVHE SLRLTFHDAI DATA SEQUENCE GFSPTLGGGG ADGSIIAFDT IETNFPANAG IDEIVSAQKP FVAKHNISAG DATA SEQUENCE DFIQFAGAVG VSNcPGGVRI PFFLGRPDAV AASPDHLVPE PFDSVDSILA DATA SEQUENCE RMGDAGFSPV EVVWLLASHS IAAADKVDPS IPGTPFDSTP EVFDSQFFIE DATA SEQUENCE TQLKGRLFPG TADNKGEAQS PLQGEIRLQS DHLLARDPQT AcEWQSMVNN DATA SEQUENCE QPKIQNRFAA TMSKMALLGQ DKTKLIDcSD VIPTPPALVG AAHLPAGFSL DATA SEQUENCE SDVEQAcAAT PFPALTADP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.612 177.584 0.047 0.000 1.274 1 A CA 0.000 52.061 52.037 0.040 0.000 0.836 1 A CB 0.000 19.028 19.000 0.046 0.000 0.831 2 T N 1.325 115.900 114.554 0.035 0.000 2.792 2 T HA 0.546 4.897 4.350 0.001 0.000 0.280 2 T C 0.088 174.806 174.700 0.030 0.000 0.990 2 T CA -0.252 61.861 62.100 0.022 0.000 0.960 2 T CB 0.619 69.489 68.868 0.004 0.000 0.939 2 T HN 0.846 nan 8.240 nan 0.000 0.439 3 c N 1.771 120.388 118.600 0.028 0.000 2.396 3 c HA 0.245 4.816 4.570 0.001 0.000 0.359 3 c C 1.958 176.053 174.090 0.008 0.000 1.307 3 c CA -0.555 55.803 56.329 0.048 0.000 2.392 3 c CB 0.307 42.880 42.510 0.105 0.000 2.245 3 c HN 0.857 nan 8.230 nan 0.000 0.615 4 D N 0.850 121.263 120.400 0.022 0.000 2.263 4 D HA -0.090 4.551 4.640 0.001 0.000 0.208 4 D C 1.236 177.529 176.300 -0.012 0.000 0.971 4 D CA 1.294 55.300 54.000 0.009 0.000 0.867 4 D CB -0.273 40.541 40.800 0.023 0.000 0.929 4 D HN 0.740 nan 8.370 nan 0.000 0.492 5 D N -1.764 118.614 120.400 -0.037 0.000 2.363 5 D HA 0.170 4.811 4.640 0.001 0.000 0.214 5 D C 1.471 177.716 176.300 -0.092 0.000 1.093 5 D CA 0.503 54.466 54.000 -0.061 0.000 0.837 5 D CB 0.178 40.936 40.800 -0.069 0.000 0.948 5 D HN 0.160 nan 8.370 nan 0.000 0.507 6 G N 0.575 109.321 108.800 -0.090 0.000 2.195 6 G HA2 -0.296 3.665 3.960 0.001 0.000 0.246 6 G HA3 -0.296 3.665 3.960 0.001 0.000 0.246 6 G C 0.368 175.183 174.900 -0.142 0.000 0.984 6 G CA -0.199 44.847 45.100 -0.091 0.000 0.633 6 G HN 0.424 nan 8.290 nan 0.000 0.525 7 R N 1.324 121.668 120.500 -0.260 0.000 2.594 7 R HA 0.506 4.847 4.340 0.001 0.000 0.272 7 R C 0.761 176.929 176.300 -0.220 0.000 1.074 7 R CA 0.811 56.668 56.100 -0.406 0.000 1.105 7 R CB 0.521 30.205 30.300 -1.027 0.000 1.008 7 R HN 0.423 nan 8.270 nan 0.000 0.472 8 T N -1.763 112.735 114.554 -0.093 0.000 2.918 8 T HA 0.536 4.886 4.350 0.001 0.000 0.286 8 T C -0.158 174.658 174.700 0.194 0.000 1.026 8 T CA -0.733 61.398 62.100 0.052 0.000 1.031 8 T CB 2.201 71.085 68.868 0.026 0.000 1.046 8 T HN 0.509 nan 8.240 nan 0.000 0.479 9 T N -0.667 113.993 114.554 0.176 0.000 2.942 9 T HA 0.576 4.927 4.350 0.001 0.000 0.327 9 T C 1.204 175.951 174.700 0.078 0.000 1.360 9 T CA 0.047 62.242 62.100 0.157 0.000 1.055 9 T CB 1.069 70.054 68.868 0.195 0.000 1.261 9 T HN 0.978 nan 8.240 nan 0.000 0.485 10 A N 3.296 126.142 122.820 0.044 0.000 1.908 10 A HA 0.068 4.388 4.320 0.001 0.000 0.218 10 A C 0.855 178.450 177.584 0.019 0.000 1.181 10 A CA 1.246 53.297 52.037 0.023 0.000 0.627 10 A CB -0.387 18.616 19.000 0.005 0.000 0.818 10 A HN 0.750 nan 8.150 nan 0.000 0.445 11 N N -1.142 117.565 118.700 0.012 0.000 2.443 11 N HA 0.489 5.229 4.740 0.001 0.000 0.269 11 N C 0.591 176.110 175.510 0.015 0.000 0.985 11 N CA 0.482 53.536 53.050 0.007 0.000 0.921 11 N CB 1.751 40.232 38.487 -0.010 0.000 1.195 11 N HN 0.201 nan 8.380 nan 0.000 0.492 12 A N 2.107 124.941 122.820 0.023 0.000 2.024 12 A HA -0.146 4.174 4.320 0.001 0.000 0.220 12 A C 1.994 179.592 177.584 0.024 0.000 1.164 12 A CA 1.975 54.032 52.037 0.034 0.000 0.643 12 A CB -0.326 18.692 19.000 0.030 0.000 0.806 12 A HN 0.704 nan 8.150 nan 0.000 0.451 13 A N -1.131 121.694 122.820 0.008 0.000 2.070 13 A HA -0.140 4.180 4.320 0.001 0.000 0.220 13 A C 2.075 179.646 177.584 -0.023 0.000 1.159 13 A CA 1.528 53.563 52.037 -0.003 0.000 0.656 13 A CB -1.144 17.852 19.000 -0.007 0.000 0.800 13 A HN 0.643 nan 8.150 nan 0.000 0.453 14 c N -1.671 116.908 118.600 -0.035 0.000 2.472 14 c HA -0.056 4.514 4.570 0.001 0.000 0.278 14 c C 2.596 176.605 174.090 -0.134 0.000 1.447 14 c CA 0.133 56.404 56.329 -0.096 0.000 1.773 14 c CB -2.084 40.363 42.510 -0.106 0.000 1.793 14 c HN 0.751 nan 8.230 nan 0.000 0.544 15 c N 1.987 120.586 118.600 -0.001 0.000 2.410 15 c HA -0.138 4.433 4.570 0.001 0.000 0.281 15 c C 2.475 176.605 174.090 0.066 0.000 1.318 15 c CA 1.407 57.810 56.329 0.123 0.000 1.776 15 c CB -1.541 41.062 42.510 0.155 0.000 1.942 15 c HN 0.793 nan 8.230 nan 0.000 0.508 16 I N -0.919 119.642 120.570 -0.015 0.000 2.700 16 I HA -0.113 4.058 4.170 0.001 0.000 0.261 16 I C 1.903 177.954 176.117 -0.111 0.000 1.219 16 I CA 1.819 63.103 61.300 -0.026 0.000 1.463 16 I CB -0.647 37.337 38.000 -0.026 0.000 1.092 16 I HN 0.211 nan 8.210 nan 0.000 0.452 17 L N -0.824 120.246 121.223 -0.256 0.000 2.313 17 L HA 0.017 4.358 4.340 0.001 0.000 0.214 17 L C 2.146 178.859 176.870 -0.261 0.000 1.119 17 L CA 0.650 55.223 54.840 -0.445 0.000 0.809 17 L CB -0.518 41.129 42.059 -0.686 0.000 0.933 17 L HN 0.173 nan 8.230 nan 0.000 0.449 18 F N 0.736 120.666 119.950 -0.034 0.000 2.146 18 F HA -0.074 4.454 4.527 0.001 0.000 0.298 18 F C -0.190 175.618 175.800 0.013 0.000 1.096 18 F CA 1.079 59.087 58.000 0.014 0.000 1.275 18 F CB -1.961 37.049 39.000 0.015 0.000 1.008 18 F HN 0.105 nan 8.300 nan 0.000 0.480 19 P HA -0.093 nan 4.420 nan 0.000 0.221 19 P C 1.817 179.124 177.300 0.010 0.000 1.150 19 P CA 1.441 64.608 63.100 0.113 0.000 0.800 19 P CB -0.095 31.679 31.700 0.124 0.000 0.787 20 I N -1.171 119.319 120.570 -0.133 0.000 2.252 20 I HA -0.194 3.977 4.170 0.001 0.000 0.245 20 I C 2.292 178.443 176.117 0.057 0.000 1.102 20 I CA 0.871 62.015 61.300 -0.260 0.000 1.385 20 I CB -0.778 37.046 38.000 -0.294 0.000 1.064 20 I HN -0.075 nan 8.210 nan 0.000 0.414 21 L N 1.267 122.600 121.223 0.184 0.000 2.013 21 L HA -0.274 4.067 4.340 0.001 0.000 0.212 21 L C 1.925 178.847 176.870 0.086 0.000 1.073 21 L CA 2.140 57.079 54.840 0.164 0.000 0.753 21 L CB -0.785 41.401 42.059 0.211 0.000 0.890 21 L HN 0.177 nan 8.230 nan 0.000 0.432 22 D N -0.728 119.741 120.400 0.115 0.000 2.144 22 D HA -0.174 4.466 4.640 0.001 0.000 0.200 22 D C 1.843 178.203 176.300 0.099 0.000 0.978 22 D CA 1.325 55.385 54.000 0.100 0.000 0.833 22 D CB -0.251 40.615 40.800 0.109 0.000 0.961 22 D HN 0.490 nan 8.370 nan 0.000 0.470 23 D N 0.676 121.156 120.400 0.133 0.000 2.097 23 D HA -0.103 4.538 4.640 0.001 0.000 0.197 23 D C 2.264 178.663 176.300 0.165 0.000 0.984 23 D CA 0.687 54.824 54.000 0.229 0.000 0.826 23 D CB -0.103 40.941 40.800 0.406 0.000 0.973 23 D HN 0.377 nan 8.370 nan 0.000 0.460 24 I N -1.560 118.992 120.570 -0.030 0.000 2.439 24 I HA -0.140 4.031 4.170 0.001 0.000 0.251 24 I C 1.871 177.799 176.117 -0.315 0.000 1.139 24 I CA 0.735 61.800 61.300 -0.393 0.000 1.438 24 I CB -0.403 37.224 38.000 -0.622 0.000 1.085 24 I HN -0.096 nan 8.210 nan 0.000 0.427 25 Q N 1.354 121.108 119.800 -0.077 0.000 2.096 25 Q HA -0.177 4.163 4.340 0.001 0.000 0.204 25 Q C 2.151 178.180 176.000 0.049 0.000 0.982 25 Q CA 1.619 57.453 55.803 0.053 0.000 0.850 25 Q CB -0.227 28.549 28.738 0.064 0.000 0.901 25 Q HN 0.657 nan 8.270 nan 0.000 0.422 26 E N 0.223 120.447 120.200 0.040 0.000 2.051 26 E HA -0.030 4.321 4.350 0.001 0.000 0.189 26 E C 1.518 178.151 176.600 0.056 0.000 0.979 26 E CA 0.675 57.108 56.400 0.055 0.000 0.803 26 E CB -0.002 29.739 29.700 0.067 0.000 0.761 26 E HN 0.359 nan 8.360 nan 0.000 0.451 27 N N -0.064 118.683 118.700 0.080 0.000 2.322 27 N HA -0.004 4.736 4.740 0.001 0.000 0.181 27 N C 1.614 177.211 175.510 0.145 0.000 1.088 27 N CA 0.129 53.274 53.050 0.158 0.000 0.885 27 N CB 0.651 39.311 38.487 0.289 0.000 1.013 27 N HN 0.065 nan 8.380 nan 0.000 0.472 28 L N -0.721 120.418 121.223 -0.140 0.000 2.362 28 L HA 0.312 4.652 4.340 0.001 0.000 0.204 28 L C 0.414 177.106 176.870 -0.297 0.000 1.060 28 L CA 1.102 55.712 54.840 -0.383 0.000 0.827 28 L CB -0.060 41.386 42.059 -1.023 0.000 1.027 28 L HN -0.173 nan 8.230 nan 0.000 0.474 29 F N 0.427 120.338 119.950 -0.065 0.000 2.639 29 F HA 0.305 4.833 4.527 0.001 0.000 0.300 29 F C 0.241 176.008 175.800 -0.056 0.000 1.109 29 F CA -1.032 56.918 58.000 -0.083 0.000 1.335 29 F CB -0.797 38.131 39.000 -0.121 0.000 1.014 29 F HN 0.022 nan 8.300 nan 0.000 0.537 30 D N 0.289 120.751 120.400 0.103 0.000 2.800 30 D HA -0.153 4.487 4.640 0.001 0.000 0.232 30 D C 1.260 177.594 176.300 0.057 0.000 1.137 30 D CA 1.335 55.374 54.000 0.065 0.000 0.718 30 D CB -1.455 39.374 40.800 0.048 0.000 1.084 30 D HN 0.612 nan 8.370 nan 0.000 0.432 31 G N -0.864 107.975 108.800 0.065 0.000 2.303 31 G HA2 0.137 4.098 3.960 0.001 0.000 0.260 31 G HA3 0.137 4.098 3.960 0.001 0.000 0.260 31 G C 0.691 175.620 174.900 0.049 0.000 1.106 31 G CA 0.782 45.912 45.100 0.050 0.000 0.900 31 G HN 1.749 nan 8.290 nan 0.000 0.495 32 A N -1.783 121.085 122.820 0.080 0.000 2.791 32 A HA -0.086 4.235 4.320 0.001 0.000 0.292 32 A C 0.924 178.505 177.584 -0.006 0.000 1.487 32 A CA 2.274 54.341 52.037 0.050 0.000 0.760 32 A CB -1.214 17.799 19.000 0.022 0.000 1.031 32 A HN 1.419 nan 8.150 nan 0.000 0.503 33 Q N -1.348 118.452 119.800 0.000 0.000 2.199 33 Q HA 0.475 4.816 4.340 0.001 0.000 0.232 33 Q C 0.621 176.545 176.000 -0.127 0.000 0.969 33 Q CA -0.268 55.508 55.803 -0.045 0.000 0.925 33 Q CB 1.220 29.945 28.738 -0.022 0.000 1.198 33 Q HN 0.970 nan 8.270 nan 0.000 0.494 34 c N 1.598 120.127 118.600 -0.118 0.000 2.572 34 c HA 0.663 5.234 4.570 0.001 0.000 0.428 34 c C 0.595 174.572 174.090 -0.188 0.000 1.269 34 c CA -0.206 56.034 56.329 -0.148 0.000 1.640 34 c CB -1.534 40.947 42.510 -0.047 0.000 1.977 34 c HN 0.741 nan 8.230 nan 0.000 0.571 35 G N 1.022 109.631 108.800 -0.318 0.000 2.857 35 G HA2 0.322 4.282 3.960 0.001 0.000 0.217 35 G HA3 0.322 4.282 3.960 0.001 0.000 0.217 35 G C 0.590 175.035 174.900 -0.759 0.000 1.357 35 G CA 0.071 44.929 45.100 -0.403 0.000 1.033 35 G HN 0.399 nan 8.290 nan 0.000 0.571 36 E N -0.202 119.762 120.200 -0.393 0.000 2.070 36 E HA -0.164 4.186 4.350 0.001 0.000 0.197 36 E C 2.163 178.661 176.600 -0.170 0.000 1.004 36 E CA 2.200 58.449 56.400 -0.252 0.000 0.805 36 E CB -0.099 29.557 29.700 -0.072 0.000 0.744 36 E HN 0.514 nan 8.360 nan 0.000 0.451 37 E N -0.749 119.415 120.200 -0.059 0.000 2.152 37 E HA -0.054 4.296 4.350 0.001 0.000 0.192 37 E C 2.113 178.810 176.600 0.163 0.000 0.983 37 E CA 0.874 57.339 56.400 0.107 0.000 0.818 37 E CB -0.066 29.758 29.700 0.207 0.000 0.758 37 E HN 0.115 nan 8.360 nan 0.000 0.467 38 V N 1.026 120.881 119.914 -0.099 0.000 2.287 38 V HA -0.317 3.803 4.120 0.001 0.000 0.248 38 V C 1.819 177.880 176.094 -0.056 0.000 1.053 38 V CA 2.261 64.367 62.300 -0.324 0.000 1.027 38 V CB -0.679 30.830 31.823 -0.524 0.000 0.646 38 V HN 0.429 nan 8.190 nan 0.000 0.447 39 H N -0.141 118.893 119.070 -0.059 0.000 2.353 39 H HA -0.137 4.419 4.556 0.001 0.000 0.300 39 H C 2.381 177.710 175.328 0.002 0.000 1.090 39 H CA 1.485 57.509 56.048 -0.039 0.000 1.327 39 H CB 0.083 29.805 29.762 -0.067 0.000 1.383 39 H HN 0.512 nan 8.280 nan 0.000 0.508 40 E N 0.603 120.877 120.200 0.124 0.000 2.107 40 E HA -0.091 4.259 4.350 0.001 0.000 0.191 40 E C 2.333 178.994 176.600 0.102 0.000 0.982 40 E CA 0.917 57.370 56.400 0.090 0.000 0.809 40 E CB 0.104 29.844 29.700 0.067 0.000 0.756 40 E HN 0.280 nan 8.360 nan 0.000 0.459 41 S N 1.121 116.899 115.700 0.130 0.000 2.383 41 S HA -0.126 4.344 4.470 0.001 0.000 0.227 41 S C 1.891 176.562 174.600 0.119 0.000 1.026 41 S CA 0.610 58.895 58.200 0.141 0.000 0.981 41 S CB -0.142 63.189 63.200 0.220 0.000 0.818 41 S HN 0.137 nan 8.310 nan 0.000 0.472 42 L N 2.234 123.522 121.223 0.107 0.000 2.056 42 L HA 0.040 4.381 4.340 0.001 0.000 0.207 42 L C 2.289 179.276 176.870 0.195 0.000 1.078 42 L CA 1.681 56.602 54.840 0.135 0.000 0.749 42 L CB -0.562 41.575 42.059 0.130 0.000 0.901 42 L HN 0.140 nan 8.230 nan 0.000 0.433 43 R N -0.902 119.707 120.500 0.181 0.000 2.096 43 R HA -0.193 4.147 4.340 0.001 0.000 0.235 43 R C 2.278 178.706 176.300 0.214 0.000 1.127 43 R CA 1.788 58.019 56.100 0.217 0.000 0.968 43 R CB -0.431 29.921 30.300 0.086 0.000 0.861 43 R HN 0.414 nan 8.270 nan 0.000 0.440 44 L N 1.051 122.356 121.223 0.136 0.000 2.083 44 L HA -0.160 4.180 4.340 0.001 0.000 0.209 44 L C 2.403 179.400 176.870 0.212 0.000 1.083 44 L CA 2.433 57.361 54.840 0.147 0.000 0.752 44 L CB -0.681 41.451 42.059 0.122 0.000 0.899 44 L HN 0.414 nan 8.230 nan 0.000 0.433 45 T N -3.359 111.323 114.554 0.214 0.000 2.759 45 T HA -0.274 4.076 4.350 0.001 0.000 0.269 45 T C 1.815 176.684 174.700 0.282 0.000 1.042 45 T CA 1.614 63.843 62.100 0.214 0.000 1.140 45 T CB -0.945 68.027 68.868 0.173 0.000 0.864 45 T HN 0.316 nan 8.240 nan 0.000 0.455 46 F N 1.878 121.940 119.950 0.186 0.000 2.187 46 F HA 0.127 4.655 4.527 0.001 0.000 0.295 46 F C 2.441 178.373 175.800 0.220 0.000 1.091 46 F CA 0.786 58.895 58.000 0.183 0.000 1.308 46 F CB -0.615 38.504 39.000 0.198 0.000 1.030 46 F HN 0.269 nan 8.300 nan 0.000 0.487 47 H N -1.240 117.804 119.070 -0.043 0.000 2.457 47 H HA -0.126 4.430 4.556 0.001 0.000 0.294 47 H C 1.504 176.809 175.328 -0.039 0.000 1.064 47 H CA 1.211 57.179 56.048 -0.134 0.000 1.330 47 H CB -0.016 29.755 29.762 0.014 0.000 1.395 47 H HN 0.316 nan 8.280 nan 0.000 0.541 48 D N 0.764 121.257 120.400 0.156 0.000 2.091 48 D HA -0.066 4.575 4.640 0.001 0.000 0.199 48 D C 2.341 178.702 176.300 0.103 0.000 0.980 48 D CA 1.272 55.353 54.000 0.135 0.000 0.831 48 D CB -0.108 40.784 40.800 0.154 0.000 0.987 48 D HN 0.261 nan 8.370 nan 0.000 0.460 49 A N -0.052 122.828 122.820 0.101 0.000 1.968 49 A HA -0.044 4.277 4.320 0.001 0.000 0.217 49 A C 2.162 179.806 177.584 0.100 0.000 1.169 49 A CA 0.772 52.872 52.037 0.106 0.000 0.638 49 A CB -0.566 18.525 19.000 0.152 0.000 0.812 49 A HN 0.345 nan 8.150 nan 0.000 0.446 50 I N 0.224 120.782 120.570 -0.021 0.000 3.444 50 I HA 0.080 4.251 4.170 0.001 0.000 0.287 50 I C 1.530 177.680 176.117 0.054 0.000 1.302 50 I CA 0.191 61.485 61.300 -0.011 0.000 1.368 50 I CB -0.338 37.414 38.000 -0.413 0.000 1.048 50 I HN 0.167 nan 8.210 nan 0.000 0.487 51 G N 0.975 109.818 108.800 0.072 0.000 3.003 51 G HA2 0.138 4.099 3.960 0.001 0.000 0.266 51 G HA3 0.138 4.099 3.960 0.001 0.000 0.266 51 G C -0.640 174.398 174.900 0.230 0.000 0.755 51 G CA -0.012 45.163 45.100 0.125 0.000 2.061 51 G HN 0.224 nan 8.290 nan 0.000 0.599 52 F N 1.423 121.391 119.950 0.031 0.000 2.839 52 F HA 0.549 5.077 4.527 0.001 0.000 0.344 52 F C -0.833 174.983 175.800 0.027 0.000 1.242 52 F CA -1.088 56.933 58.000 0.035 0.000 1.091 52 F CB 1.740 40.770 39.000 0.050 0.000 1.374 52 F HN 0.122 nan 8.300 nan 0.000 0.553 53 S N 7.361 122.788 115.700 -0.455 0.000 2.677 53 S HA 0.505 4.976 4.470 0.001 0.000 0.283 53 S C -2.347 171.978 174.600 -0.459 0.000 1.159 53 S CA -1.327 56.662 58.200 -0.352 0.000 1.001 53 S CB 1.848 64.958 63.200 -0.151 0.000 1.032 53 S HN 0.389 nan 8.310 nan 0.000 0.487 54 P HA -0.076 nan 4.420 nan 0.000 0.216 54 P C 1.338 178.526 177.300 -0.187 0.000 1.153 54 P CA 1.448 64.367 63.100 -0.302 0.000 0.858 54 P CB 0.068 31.653 31.700 -0.192 0.000 0.789 55 T N -0.917 113.552 114.554 -0.142 0.000 2.770 55 T HA 0.026 4.377 4.350 0.001 0.000 0.263 55 T C 1.590 176.235 174.700 -0.092 0.000 1.039 55 T CA 0.997 63.039 62.100 -0.096 0.000 1.142 55 T CB -0.515 68.310 68.868 -0.072 0.000 0.868 55 T HN 0.050 nan 8.240 nan 0.000 0.435 56 L N -0.270 120.892 121.223 -0.102 0.000 2.513 56 L HA 0.366 4.707 4.340 0.001 0.000 0.222 56 L C 1.413 178.235 176.870 -0.081 0.000 1.096 56 L CA 0.008 54.801 54.840 -0.078 0.000 0.857 56 L CB -0.276 41.747 42.059 -0.060 0.000 1.026 56 L HN 0.480 nan 8.230 nan 0.000 0.469 57 G N -0.200 108.528 108.800 -0.120 0.000 2.526 57 G HA2 0.237 4.198 3.960 0.001 0.000 0.250 57 G HA3 0.237 4.198 3.960 0.001 0.000 0.250 57 G C -0.021 174.836 174.900 -0.071 0.000 1.289 57 G CA -0.428 44.611 45.100 -0.101 0.000 0.947 57 G HN 0.718 nan 8.290 nan 0.000 0.517 58 G N -2.182 106.614 108.800 -0.006 0.000 2.895 58 G HA2 0.489 4.449 3.960 0.001 0.000 0.686 58 G HA3 0.489 4.449 3.960 0.001 0.000 0.686 58 G C 0.926 175.926 174.900 0.165 0.000 1.108 58 G CA 0.852 45.998 45.100 0.075 0.000 0.761 58 G HN 2.435 nan 8.290 nan 0.000 0.611 59 G N 0.435 109.357 108.800 0.204 0.000 3.371 59 G HA2 0.645 4.606 3.960 0.001 0.000 0.248 59 G HA3 0.645 4.606 3.960 0.001 0.000 0.248 59 G C 1.589 176.654 174.900 0.275 0.000 1.161 59 G CA 1.533 46.786 45.100 0.255 0.000 0.796 59 G HN 2.594 nan 8.290 nan 0.000 0.539 60 G N 0.241 109.234 108.800 0.321 0.000 2.531 60 G HA2 0.108 4.068 3.960 0.001 0.000 0.274 60 G HA3 0.108 4.068 3.960 0.001 0.000 0.274 60 G C 0.721 175.682 174.900 0.102 0.000 1.159 60 G CA 0.138 45.330 45.100 0.154 0.000 0.969 60 G HN 1.415 nan 8.290 nan 0.000 0.554 61 A N 1.286 124.130 122.820 0.039 0.000 2.915 61 A HA 0.533 4.854 4.320 0.001 0.000 0.292 61 A C 0.871 178.509 177.584 0.091 0.000 1.632 61 A CA 1.208 53.291 52.037 0.077 0.000 1.337 61 A CB -0.471 18.564 19.000 0.058 0.000 1.111 61 A HN 1.237 nan 8.150 nan 0.000 0.569 62 D N 0.203 120.675 120.400 0.119 0.000 2.525 62 D HA 0.201 4.841 4.640 0.001 0.000 0.231 62 D C 0.942 177.322 176.300 0.133 0.000 1.216 62 D CA 0.553 54.627 54.000 0.124 0.000 0.813 62 D CB -0.526 40.358 40.800 0.140 0.000 1.108 62 D HN 0.968 nan 8.370 nan 0.000 0.524 63 G N 1.092 109.976 108.800 0.139 0.000 2.155 63 G HA2 -0.387 3.573 3.960 0.001 0.000 0.257 63 G HA3 -0.387 3.573 3.960 0.001 0.000 0.257 63 G C 1.247 176.214 174.900 0.112 0.000 0.983 63 G CA 1.130 46.306 45.100 0.126 0.000 0.676 63 G HN 0.761 nan 8.290 nan 0.000 0.528 64 S N -0.390 115.414 115.700 0.174 0.000 2.400 64 S HA 0.003 4.473 4.470 0.001 0.000 0.232 64 S C 2.213 176.940 174.600 0.211 0.000 1.025 64 S CA 1.390 59.756 58.200 0.278 0.000 0.993 64 S CB -0.166 63.245 63.200 0.351 0.000 0.808 64 S HN 0.897 nan 8.310 nan 0.000 0.478 65 I N 0.378 121.036 120.570 0.146 0.000 2.614 65 I HA 0.002 4.173 4.170 0.001 0.000 0.258 65 I C 1.893 178.044 176.117 0.057 0.000 1.189 65 I CA 0.981 62.340 61.300 0.099 0.000 1.462 65 I CB -0.022 38.043 38.000 0.108 0.000 1.092 65 I HN 0.341 nan 8.210 nan 0.000 0.442 66 I N -0.023 120.574 120.570 0.045 0.000 2.385 66 I HA -0.079 4.092 4.170 0.001 0.000 0.244 66 I C 2.628 178.692 176.117 -0.087 0.000 1.089 66 I CA 0.927 62.226 61.300 -0.002 0.000 1.410 66 I CB -0.446 37.565 38.000 0.019 0.000 1.117 66 I HN 0.136 nan 8.210 nan 0.000 0.429 67 A N 0.810 123.524 122.820 -0.177 0.000 1.933 67 A HA -0.130 4.190 4.320 0.001 0.000 0.218 67 A C 1.160 178.346 177.584 -0.663 0.000 1.175 67 A CA 1.574 53.328 52.037 -0.472 0.000 0.628 67 A CB -0.569 18.023 19.000 -0.680 0.000 0.814 67 A HN 0.433 nan 8.150 nan 0.000 0.444 68 F N 0.512 120.460 119.950 -0.002 0.000 2.831 68 F HA 0.174 4.702 4.527 0.001 0.000 0.355 68 F C 1.081 176.844 175.800 -0.061 0.000 1.341 68 F CA -0.995 56.991 58.000 -0.022 0.000 1.201 68 F CB 0.327 39.320 39.000 -0.011 0.000 1.058 68 F HN 0.315 nan 8.300 nan 0.000 0.514 69 D N -1.392 119.025 120.400 0.029 0.000 2.144 69 D HA -0.176 4.465 4.640 0.001 0.000 0.199 69 D C 1.643 177.923 176.300 -0.033 0.000 0.984 69 D CA 1.622 55.614 54.000 -0.012 0.000 0.834 69 D CB -0.754 40.034 40.800 -0.019 0.000 0.955 69 D HN 0.211 nan 8.370 nan 0.000 0.465 70 T N 0.867 115.419 114.554 -0.004 0.000 2.759 70 T HA -0.097 4.254 4.350 0.001 0.000 0.269 70 T C 1.907 176.580 174.700 -0.044 0.000 1.042 70 T CA 1.011 63.105 62.100 -0.010 0.000 1.140 70 T CB 0.017 68.896 68.868 0.018 0.000 0.864 70 T HN 0.156 nan 8.240 nan 0.000 0.455 71 I N 1.148 121.687 120.570 -0.051 0.000 2.206 71 I HA 0.006 4.177 4.170 0.001 0.000 0.239 71 I C 2.473 178.271 176.117 -0.533 0.000 1.078 71 I CA 1.255 62.466 61.300 -0.148 0.000 1.367 71 I CB -1.177 36.795 38.000 -0.047 0.000 1.078 71 I HN 0.329 nan 8.210 nan 0.000 0.413 72 E N 0.579 120.444 120.200 -0.557 0.000 2.150 72 E HA -0.170 4.181 4.350 0.001 0.000 0.193 72 E C 1.971 178.175 176.600 -0.660 0.000 0.985 72 E CA 1.826 57.622 56.400 -1.006 0.000 0.814 72 E CB -0.111 29.356 29.700 -0.388 0.000 0.752 72 E HN 0.566 nan 8.360 nan 0.000 0.466 73 T N -0.635 113.745 114.554 -0.291 0.000 3.072 73 T HA -0.012 4.338 4.350 0.001 0.000 0.266 73 T C 1.379 176.031 174.700 -0.080 0.000 1.127 73 T CA 0.569 62.596 62.100 -0.122 0.000 1.107 73 T CB -0.031 68.806 68.868 -0.051 0.000 0.910 73 T HN -0.057 nan 8.240 nan 0.000 0.513 74 N N 0.504 119.130 118.700 -0.124 0.000 2.398 74 N HA 0.173 4.913 4.740 0.001 0.000 0.188 74 N C -0.549 175.050 175.510 0.148 0.000 1.122 74 N CA -0.057 52.998 53.050 0.007 0.000 0.866 74 N CB -0.178 38.318 38.487 0.014 0.000 0.970 74 N HN 0.353 nan 8.380 nan 0.000 0.462 75 F N 1.444 121.409 119.950 0.025 0.000 2.529 75 F HA 0.173 4.701 4.527 0.001 0.000 0.365 75 F C -0.926 174.889 175.800 0.025 0.000 1.102 75 F CA -2.463 55.535 58.000 -0.004 0.000 1.271 75 F CB -0.166 38.819 39.000 -0.024 0.000 1.120 75 F HN -0.087 nan 8.300 nan 0.000 0.579 76 P HA -0.203 nan 4.420 nan 0.000 0.216 76 P C 1.266 178.680 177.300 0.191 0.000 1.153 76 P CA 2.335 65.537 63.100 0.170 0.000 0.858 76 P CB 0.110 31.901 31.700 0.152 0.000 0.789 77 A N -1.041 121.883 122.820 0.175 0.000 2.172 77 A HA -0.102 4.218 4.320 0.001 0.000 0.216 77 A C 1.704 179.457 177.584 0.281 0.000 1.154 77 A CA 1.178 53.319 52.037 0.174 0.000 0.701 77 A CB -0.971 18.070 19.000 0.068 0.000 0.789 77 A HN 0.128 nan 8.150 nan 0.000 0.465 78 N N 0.335 119.203 118.700 0.280 0.000 2.276 78 N HA 0.243 4.984 4.740 0.001 0.000 0.212 78 N C 0.260 175.864 175.510 0.158 0.000 1.127 78 N CA 0.561 53.775 53.050 0.272 0.000 0.834 78 N CB 0.111 38.731 38.487 0.221 0.000 1.014 78 N HN 0.410 nan 8.380 nan 0.000 0.491 79 A N -0.125 122.790 122.820 0.158 0.000 2.548 79 A HA 0.411 4.732 4.320 0.001 0.000 0.247 79 A C 1.491 179.125 177.584 0.084 0.000 1.067 79 A CA 0.857 52.963 52.037 0.114 0.000 0.757 79 A CB -0.340 18.736 19.000 0.126 0.000 0.996 79 A HN 0.460 nan 8.150 nan 0.000 0.504 80 G N 1.750 110.584 108.800 0.057 0.000 2.199 80 G HA2 -0.286 3.674 3.960 0.001 0.000 0.254 80 G HA3 -0.286 3.674 3.960 0.001 0.000 0.254 80 G C 0.849 175.760 174.900 0.018 0.000 0.982 80 G CA 0.612 45.735 45.100 0.037 0.000 0.632 80 G HN 1.005 nan 8.290 nan 0.000 0.529 81 I N 1.996 122.571 120.570 0.010 0.000 2.928 81 I HA 0.031 4.202 4.170 0.001 0.000 0.266 81 I C 2.492 178.616 176.117 0.011 0.000 1.234 81 I CA 1.712 63.005 61.300 -0.011 0.000 1.483 81 I CB -0.065 37.911 38.000 -0.041 0.000 1.097 81 I HN 0.379 nan 8.210 nan 0.000 0.455 82 D N 0.457 120.866 120.400 0.016 0.000 2.182 82 D HA -0.325 4.316 4.640 0.001 0.000 0.201 82 D C 1.737 178.049 176.300 0.020 0.000 0.986 82 D CA 1.400 55.409 54.000 0.014 0.000 0.847 82 D CB -0.601 40.206 40.800 0.011 0.000 0.942 82 D HN 0.533 nan 8.370 nan 0.000 0.467 83 E N -0.031 120.182 120.200 0.022 0.000 2.023 83 E HA -0.212 4.138 4.350 0.001 0.000 0.196 83 E C 2.131 178.754 176.600 0.037 0.000 1.003 83 E CA 0.985 57.401 56.400 0.026 0.000 0.809 83 E CB -0.178 29.537 29.700 0.025 0.000 0.755 83 E HN 0.275 nan 8.360 nan 0.000 0.449 84 I N 0.316 120.912 120.570 0.042 0.000 2.439 84 I HA -0.171 3.999 4.170 0.001 0.000 0.251 84 I C 2.097 178.259 176.117 0.076 0.000 1.139 84 I CA 0.721 62.059 61.300 0.064 0.000 1.438 84 I CB -0.042 37.999 38.000 0.069 0.000 1.085 84 I HN 0.002 nan 8.210 nan 0.000 0.427 85 V N -0.378 119.571 119.914 0.058 0.000 2.295 85 V HA -0.283 3.838 4.120 0.001 0.000 0.246 85 V C 2.672 178.792 176.094 0.044 0.000 1.049 85 V CA 2.078 64.412 62.300 0.057 0.000 1.024 85 V CB -0.899 30.945 31.823 0.035 0.000 0.648 85 V HN 0.556 nan 8.190 nan 0.000 0.447 86 S N -0.277 115.442 115.700 0.031 0.000 2.370 86 S HA -0.228 4.242 4.470 0.001 0.000 0.226 86 S C 2.093 176.713 174.600 0.034 0.000 1.033 86 S CA 1.781 59.992 58.200 0.019 0.000 1.011 86 S CB -0.337 62.870 63.200 0.013 0.000 0.852 86 S HN 0.634 nan 8.310 nan 0.000 0.457 87 A N 0.419 123.278 122.820 0.066 0.000 1.969 87 A HA -0.039 4.281 4.320 0.001 0.000 0.218 87 A C 2.133 179.846 177.584 0.215 0.000 1.169 87 A CA 1.285 53.392 52.037 0.116 0.000 0.635 87 A CB -0.481 18.589 19.000 0.116 0.000 0.810 87 A HN 0.693 nan 8.150 nan 0.000 0.445 88 Q N -0.864 119.043 119.800 0.179 0.000 2.269 88 Q HA -0.040 4.301 4.340 0.001 0.000 0.201 88 Q C 2.008 178.031 176.000 0.038 0.000 0.946 88 Q CA 0.869 56.801 55.803 0.215 0.000 0.877 88 Q CB -0.069 28.820 28.738 0.251 0.000 0.963 88 Q HN 0.661 nan 8.270 nan 0.000 0.472 89 K N 0.785 121.185 120.400 -0.000 0.000 2.044 89 K HA -0.170 4.150 4.320 0.001 0.000 0.210 89 K C -0.890 175.632 176.600 -0.129 0.000 1.049 89 K CA 1.440 57.682 56.287 -0.075 0.000 0.927 89 K CB -0.542 31.925 32.500 -0.054 0.000 0.713 89 K HN 0.094 nan 8.250 nan 0.000 0.443 90 P HA -0.117 nan 4.420 nan 0.000 0.220 90 P C 0.768 177.871 177.300 -0.329 0.000 1.148 90 P CA 1.187 64.136 63.100 -0.252 0.000 0.803 90 P CB -0.035 31.472 31.700 -0.322 0.000 0.782 91 F N -0.924 118.859 119.950 -0.278 0.000 2.163 91 F HA -0.126 4.402 4.527 0.001 0.000 0.297 91 F C 2.341 177.910 175.800 -0.385 0.000 1.094 91 F CA 0.964 58.788 58.000 -0.293 0.000 1.290 91 F CB -1.276 37.478 39.000 -0.411 0.000 1.017 91 F HN -0.292 nan 8.300 nan 0.000 0.483 92 V N -0.059 119.623 119.914 -0.386 0.000 2.358 92 V HA -0.286 3.835 4.120 0.001 0.000 0.246 92 V C 2.547 178.561 176.094 -0.134 0.000 1.047 92 V CA 1.710 63.839 62.300 -0.286 0.000 1.035 92 V CB -1.314 30.356 31.823 -0.255 0.000 0.658 92 V HN 0.354 nan 8.190 nan 0.000 0.452 93 A N -0.088 122.640 122.820 -0.153 0.000 1.902 93 A HA -0.264 4.057 4.320 0.001 0.000 0.217 93 A C 2.349 179.847 177.584 -0.143 0.000 1.181 93 A CA 2.217 54.176 52.037 -0.130 0.000 0.623 93 A CB -0.442 18.477 19.000 -0.136 0.000 0.818 93 A HN 0.529 nan 8.150 nan 0.000 0.443 94 K N -1.428 118.841 120.400 -0.218 0.000 2.103 94 K HA -0.082 4.239 4.320 0.001 0.000 0.204 94 K C 0.391 176.790 176.600 -0.334 0.000 1.052 94 K CA 0.687 56.779 56.287 -0.326 0.000 0.945 94 K CB -0.096 32.095 32.500 -0.515 0.000 0.722 94 K HN 0.614 nan 8.250 nan 0.000 0.443 95 H N -0.831 118.229 119.070 -0.017 0.000 2.570 95 H HA 0.106 4.663 4.556 0.001 0.000 0.342 95 H C -0.434 174.902 175.328 0.013 0.000 1.245 95 H CA -0.485 55.577 56.048 0.024 0.000 1.318 95 H CB 1.357 31.171 29.762 0.087 0.000 1.694 95 H HN 0.000 nan 8.280 nan 0.000 0.592 96 N N 0.997 119.797 118.700 0.167 0.000 2.538 96 N HA 0.158 4.899 4.740 0.001 0.000 0.291 96 N C -0.750 174.806 175.510 0.076 0.000 1.323 96 N CA -0.181 52.920 53.050 0.084 0.000 0.934 96 N CB -0.485 38.038 38.487 0.059 0.000 1.255 96 N HN 0.451 nan 8.380 nan 0.000 0.509 97 I N -2.521 118.111 120.570 0.104 0.000 2.892 97 I HA 0.652 4.823 4.170 0.001 0.000 0.306 97 I C 0.211 176.397 176.117 0.115 0.000 1.078 97 I CA -1.134 60.227 61.300 0.101 0.000 1.032 97 I CB 1.848 39.909 38.000 0.101 0.000 1.229 97 I HN -0.003 nan 8.210 nan 0.000 0.435 98 S N 3.178 118.945 115.700 0.110 0.000 2.584 98 S HA 0.394 4.864 4.470 0.001 0.000 0.270 98 S C 1.216 175.909 174.600 0.155 0.000 1.346 98 S CA -0.057 58.205 58.200 0.103 0.000 1.018 98 S CB 1.484 64.738 63.200 0.089 0.000 0.899 98 S HN 1.018 nan 8.310 nan 0.000 0.542 99 A N 2.561 125.450 122.820 0.115 0.000 1.940 99 A HA 0.104 4.425 4.320 0.001 0.000 0.219 99 A C 2.197 179.908 177.584 0.213 0.000 1.176 99 A CA 1.713 53.842 52.037 0.153 0.000 0.631 99 A CB -1.771 17.271 19.000 0.070 0.000 0.814 99 A HN 1.155 nan 8.150 nan 0.000 0.446 100 G N -0.381 108.520 108.800 0.168 0.000 2.418 100 G HA2 -0.220 3.740 3.960 0.001 0.000 0.217 100 G HA3 -0.220 3.740 3.960 0.001 0.000 0.217 100 G C 1.161 176.195 174.900 0.224 0.000 1.158 100 G CA 1.203 46.408 45.100 0.175 0.000 0.771 100 G HN 0.448 nan 8.290 nan 0.000 0.545 101 D N -0.141 120.402 120.400 0.238 0.000 2.117 101 D HA -0.084 4.557 4.640 0.001 0.000 0.198 101 D C 1.945 178.469 176.300 0.373 0.000 0.982 101 D CA 0.393 54.594 54.000 0.335 0.000 0.828 101 D CB -0.380 40.591 40.800 0.285 0.000 0.967 101 D HN 0.275 nan 8.370 nan 0.000 0.464 102 F N 1.211 121.273 119.950 0.186 0.000 2.095 102 F HA -0.137 4.391 4.527 0.001 0.000 0.298 102 F C 2.181 178.079 175.800 0.163 0.000 1.104 102 F CA 1.152 59.248 58.000 0.160 0.000 1.232 102 F CB -0.176 38.894 39.000 0.117 0.000 0.987 102 F HN -0.113 nan 8.300 nan 0.000 0.475 103 I N -0.077 120.657 120.570 0.275 0.000 2.226 103 I HA -0.311 3.860 4.170 0.001 0.000 0.245 103 I C 2.292 178.459 176.117 0.083 0.000 1.100 103 I CA 1.080 62.486 61.300 0.176 0.000 1.374 103 I CB -0.504 37.627 38.000 0.217 0.000 1.057 103 I HN 0.226 nan 8.210 nan 0.000 0.413 104 Q N -0.227 119.681 119.800 0.179 0.000 2.123 104 Q HA -0.162 4.179 4.340 0.001 0.000 0.199 104 Q C 2.090 178.148 176.000 0.096 0.000 0.966 104 Q CA 1.422 57.356 55.803 0.217 0.000 0.845 104 Q CB -0.525 28.435 28.738 0.371 0.000 0.907 104 Q HN 0.436 nan 8.270 nan 0.000 0.439 105 F N 1.484 121.263 119.950 -0.285 0.000 2.102 105 F HA -0.117 4.411 4.527 0.001 0.000 0.298 105 F C 2.166 177.619 175.800 -0.578 0.000 1.105 105 F CA 1.290 58.780 58.000 -0.849 0.000 1.239 105 F CB -0.428 37.952 39.000 -1.034 0.000 0.991 105 F HN 0.043 nan 8.300 nan 0.000 0.474 106 A N 0.136 122.592 122.820 -0.608 0.000 1.902 106 A HA -0.044 4.277 4.320 0.001 0.000 0.217 106 A C 2.504 179.979 177.584 -0.183 0.000 1.181 106 A CA 1.667 53.408 52.037 -0.494 0.000 0.623 106 A CB -1.781 16.895 19.000 -0.540 0.000 0.818 106 A HN 0.501 nan 8.150 nan 0.000 0.443 107 G N -0.560 108.154 108.800 -0.143 0.000 2.418 107 G HA2 0.014 3.975 3.960 0.001 0.000 0.217 107 G HA3 0.014 3.975 3.960 0.001 0.000 0.217 107 G C 1.740 176.539 174.900 -0.168 0.000 1.158 107 G CA 1.433 46.484 45.100 -0.081 0.000 0.771 107 G HN 0.782 nan 8.290 nan 0.000 0.545 108 A N 0.088 122.778 122.820 -0.218 0.000 1.898 108 A HA 0.116 4.437 4.320 0.001 0.000 0.216 108 A C 2.604 179.982 177.584 -0.344 0.000 1.181 108 A CA 1.735 53.630 52.037 -0.237 0.000 0.620 108 A CB -0.635 18.250 19.000 -0.191 0.000 0.819 108 A HN 0.242 nan 8.150 nan 0.000 0.442 109 V N 0.039 119.647 119.914 -0.509 0.000 2.295 109 V HA -0.204 3.917 4.120 0.001 0.000 0.246 109 V C 2.825 178.667 176.094 -0.421 0.000 1.049 109 V CA 2.037 64.058 62.300 -0.466 0.000 1.024 109 V CB -1.475 30.009 31.823 -0.565 0.000 0.648 109 V HN 0.612 nan 8.190 nan 0.000 0.447 110 G N -0.348 108.107 108.800 -0.574 0.000 2.421 110 G HA2 -0.216 3.745 3.960 0.001 0.000 0.216 110 G HA3 -0.216 3.745 3.960 0.001 0.000 0.216 110 G C 1.683 176.247 174.900 -0.560 0.000 1.171 110 G CA 1.193 45.680 45.100 -1.023 0.000 0.775 110 G HN 0.377 nan 8.290 nan 0.000 0.543 111 V N 1.871 121.564 119.914 -0.368 0.000 2.490 111 V HA -0.194 3.927 4.120 0.001 0.000 0.250 111 V C 3.178 179.109 176.094 -0.273 0.000 1.061 111 V CA 2.249 64.379 62.300 -0.282 0.000 1.064 111 V CB -0.400 31.298 31.823 -0.209 0.000 0.670 111 V HN 0.626 nan 8.190 nan 0.000 0.461 112 S N -0.084 115.462 115.700 -0.256 0.000 2.507 112 S HA -0.158 4.313 4.470 0.001 0.000 0.235 112 S C 1.407 175.904 174.600 -0.172 0.000 0.988 112 S CA 1.608 59.691 58.200 -0.196 0.000 0.944 112 S CB -0.892 62.200 63.200 -0.179 0.000 0.762 112 S HN 0.769 nan 8.310 nan 0.000 0.526 113 N N -0.198 118.374 118.700 -0.212 0.000 2.412 113 N HA 0.166 4.907 4.740 0.001 0.000 0.184 113 N C -0.564 174.874 175.510 -0.120 0.000 1.101 113 N CA 0.038 52.989 53.050 -0.166 0.000 0.881 113 N CB 0.117 38.468 38.487 -0.226 0.000 0.969 113 N HN 0.346 nan 8.380 nan 0.000 0.459 114 c N 2.296 120.824 118.600 -0.121 0.000 2.307 114 c HA 0.342 4.912 4.570 0.001 0.000 0.340 114 c C -2.149 171.933 174.090 -0.013 0.000 1.275 114 c CA -1.807 54.490 56.329 -0.054 0.000 1.811 114 c CB 0.760 43.245 42.510 -0.042 0.000 2.372 114 c HN 0.176 nan 8.230 nan 0.000 0.531 115 P HA 0.196 nan 4.420 nan 0.000 0.262 115 P C 0.933 178.277 177.300 0.073 0.000 1.182 115 P CA 1.813 64.930 63.100 0.028 0.000 0.761 115 P CB 0.281 31.995 31.700 0.024 0.000 0.795 116 G N 1.849 110.694 108.800 0.075 0.000 2.199 116 G HA2 -0.182 3.778 3.960 0.001 0.000 0.254 116 G HA3 -0.182 3.778 3.960 0.001 0.000 0.254 116 G C 0.686 175.721 174.900 0.224 0.000 0.982 116 G CA -0.084 45.098 45.100 0.137 0.000 0.632 116 G HN 0.875 nan 8.290 nan 0.000 0.529 117 G N -0.868 107.982 108.800 0.083 0.000 2.611 117 G HA2 0.698 4.659 3.960 0.001 0.000 0.273 117 G HA3 0.698 4.659 3.960 0.001 0.000 0.273 117 G C 0.306 175.131 174.900 -0.124 0.000 1.305 117 G CA 0.838 45.850 45.100 -0.146 0.000 1.010 117 G HN 1.648 nan 8.290 nan 0.000 0.509 118 V N -3.450 116.334 119.914 -0.218 0.000 3.102 118 V HA 0.699 4.819 4.120 0.001 0.000 0.312 118 V C -0.369 175.663 176.094 -0.102 0.000 1.135 118 V CA -1.571 60.670 62.300 -0.098 0.000 1.022 118 V CB 2.087 33.895 31.823 -0.025 0.000 1.056 118 V HN 0.645 nan 8.190 nan 0.000 0.436 119 R N 2.002 122.464 120.500 -0.064 0.000 2.235 119 R HA 0.529 4.870 4.340 0.001 0.000 0.338 119 R C -0.663 175.611 176.300 -0.043 0.000 1.087 119 R CA -0.366 55.697 56.100 -0.063 0.000 0.948 119 R CB 0.859 31.132 30.300 -0.045 0.000 1.099 119 R HN 0.699 nan 8.270 nan 0.000 0.483 120 I N 5.435 125.974 120.570 -0.052 0.000 2.598 120 I HA 0.041 4.211 4.170 0.001 0.000 0.284 120 I C -1.760 174.374 176.117 0.028 0.000 1.140 120 I CA -1.696 59.586 61.300 -0.030 0.000 1.420 120 I CB 0.398 38.363 38.000 -0.057 0.000 1.387 120 I HN 0.173 nan 8.210 nan 0.000 0.553 121 P HA -0.060 nan 4.420 nan 0.000 0.262 121 P C -0.952 176.419 177.300 0.119 0.000 1.182 121 P CA 0.365 63.494 63.100 0.048 0.000 0.761 121 P CB 0.206 31.986 31.700 0.133 0.000 0.795 122 F N 4.858 124.709 119.950 -0.166 0.000 2.529 122 F HA 0.605 5.132 4.527 0.001 0.000 0.320 122 F C -1.506 174.106 175.800 -0.314 0.000 1.118 122 F CA -0.982 56.967 58.000 -0.085 0.000 0.915 122 F CB 0.869 39.872 39.000 0.005 0.000 1.161 122 F HN 0.101 nan 8.300 nan 0.000 0.445 123 F N 6.403 125.720 119.950 -1.056 0.000 2.495 123 F HA 0.587 5.115 4.527 0.001 0.000 0.327 123 F C -0.911 174.246 175.800 -1.072 0.000 1.103 123 F CA -1.003 56.525 58.000 -0.787 0.000 0.949 123 F CB 1.856 40.624 39.000 -0.387 0.000 1.142 123 F HN 0.369 nan 8.300 nan 0.000 0.457 124 L N 2.279 123.224 121.223 -0.464 0.000 2.309 124 L HA 0.824 5.165 4.340 0.001 0.000 0.282 124 L C 0.377 177.197 176.870 -0.084 0.000 1.036 124 L CA 0.106 54.796 54.840 -0.250 0.000 0.806 124 L CB 1.462 43.461 42.059 -0.101 0.000 1.220 124 L HN 0.786 nan 8.230 nan 0.000 0.429 125 G N 2.907 111.687 108.800 -0.034 0.000 2.200 125 G HA2 -0.142 3.818 3.960 0.001 0.000 0.145 125 G HA3 -0.142 3.818 3.960 0.001 0.000 0.145 125 G C 0.175 175.079 174.900 0.007 0.000 1.021 125 G CA -0.509 44.588 45.100 -0.004 0.000 0.720 125 G HN 0.583 nan 8.290 nan 0.000 0.494 126 R N 1.645 122.155 120.500 0.016 0.000 2.522 126 R HA 0.354 4.694 4.340 0.001 0.000 0.284 126 R C -1.808 174.518 176.300 0.043 0.000 1.032 126 R CA -0.650 55.468 56.100 0.030 0.000 1.049 126 R CB 0.391 30.722 30.300 0.052 0.000 0.956 126 R HN 0.209 nan 8.270 nan 0.000 0.422 127 P HA -0.011 nan 4.420 nan 0.000 0.273 127 P C -0.757 176.577 177.300 0.056 0.000 1.250 127 P CA -0.264 62.862 63.100 0.044 0.000 0.793 127 P CB 0.505 32.231 31.700 0.042 0.000 1.011 128 D N -0.596 119.834 120.400 0.050 0.000 2.449 128 D HA 0.184 4.824 4.640 0.001 0.000 0.236 128 D C 0.529 176.875 176.300 0.077 0.000 1.149 128 D CA 0.410 54.438 54.000 0.048 0.000 0.878 128 D CB 0.196 41.010 40.800 0.023 0.000 1.198 128 D HN 0.382 nan 8.370 nan 0.000 0.446 129 A N 1.081 123.955 122.820 0.090 0.000 2.483 129 A HA 0.255 4.576 4.320 0.001 0.000 0.238 129 A C 1.106 178.852 177.584 0.270 0.000 1.070 129 A CA -0.221 51.929 52.037 0.190 0.000 0.770 129 A CB 0.312 19.461 19.000 0.248 0.000 1.008 129 A HN 0.517 nan 8.150 nan 0.000 0.497 130 V N -1.651 118.433 119.914 0.284 0.000 3.432 130 V HA 0.663 4.783 4.120 0.001 0.000 0.298 130 V C 0.408 176.603 176.094 0.168 0.000 1.464 130 V CA 0.618 63.067 62.300 0.250 0.000 1.046 130 V CB -0.958 30.946 31.823 0.135 0.000 0.887 130 V HN 1.755 nan 8.190 nan 0.000 0.441 131 A N 0.174 123.057 122.820 0.106 0.000 2.594 131 A HA 0.931 5.252 4.320 0.001 0.000 0.295 131 A C -0.265 177.079 177.584 -0.399 0.000 1.071 131 A CA -0.167 51.714 52.037 -0.261 0.000 0.685 131 A CB 1.246 20.187 19.000 -0.098 0.000 1.285 131 A HN 1.347 nan 8.150 nan 0.000 0.405 132 A N 0.576 122.970 122.820 -0.710 0.000 2.351 132 A HA 0.638 4.959 4.320 0.001 0.000 0.257 132 A C 0.809 178.387 177.584 -0.010 0.000 1.087 132 A CA 0.494 52.358 52.037 -0.289 0.000 0.798 132 A CB 0.166 18.991 19.000 -0.291 0.000 1.033 132 A HN 1.907 nan 8.150 nan 0.000 0.488 133 S N 1.680 117.462 115.700 0.137 0.000 2.560 133 S HA 0.330 4.801 4.470 0.001 0.000 0.284 133 S C -2.230 172.505 174.600 0.224 0.000 1.327 133 S CA -1.015 57.293 58.200 0.181 0.000 1.055 133 S CB -0.189 63.158 63.200 0.244 0.000 0.868 133 S HN 0.507 nan 8.310 nan 0.000 0.506 134 P HA 0.101 nan 4.420 nan 0.000 0.268 134 P C -0.304 176.859 177.300 -0.229 0.000 1.208 134 P CA -0.236 62.857 63.100 -0.012 0.000 0.777 134 P CB 0.351 32.031 31.700 -0.034 0.000 0.875 135 D N 0.617 120.616 120.400 -0.669 0.000 2.384 135 D HA -0.011 4.630 4.640 0.001 0.000 0.244 135 D C 0.649 176.652 176.300 -0.495 0.000 1.251 135 D CA 0.322 53.576 54.000 -1.244 0.000 0.961 135 D CB 0.061 40.016 40.800 -1.408 0.000 1.116 135 D HN 0.499 nan 8.370 nan 0.000 0.484 136 H N -0.127 118.735 119.070 -0.346 0.000 2.992 136 H HA -0.162 4.395 4.556 0.001 0.000 0.266 136 H C 0.877 176.137 175.328 -0.114 0.000 1.200 136 H CA 0.538 56.487 56.048 -0.165 0.000 1.135 136 H CB -1.514 28.172 29.762 -0.126 0.000 1.282 136 H HN 0.360 nan 8.280 nan 0.000 0.351 137 L N -0.488 120.701 121.223 -0.057 0.000 2.609 137 L HA 0.164 4.505 4.340 0.001 0.000 0.230 137 L C 0.842 177.669 176.870 -0.071 0.000 1.087 137 L CA 0.270 55.091 54.840 -0.031 0.000 0.874 137 L CB 0.752 42.801 42.059 -0.016 0.000 1.114 137 L HN -0.096 nan 8.230 nan 0.000 0.488 138 V N 1.766 121.608 119.914 -0.121 0.000 2.406 138 V HA 0.254 4.374 4.120 0.001 0.000 0.272 138 V C -2.014 174.013 176.094 -0.111 0.000 1.043 138 V CA -1.536 60.626 62.300 -0.231 0.000 0.915 138 V CB 0.882 32.489 31.823 -0.359 0.000 0.988 138 V HN -0.012 nan 8.190 nan 0.000 0.466 139 P HA 0.161 nan 4.420 nan 0.000 0.267 139 P C -0.456 176.817 177.300 -0.045 0.000 1.200 139 P CA 0.086 63.191 63.100 0.008 0.000 0.772 139 P CB 0.572 32.343 31.700 0.119 0.000 0.855 140 E N 3.662 123.744 120.200 -0.197 0.000 2.244 140 E HA 0.237 4.588 4.350 0.001 0.000 0.266 140 E C -1.681 174.656 176.600 -0.438 0.000 0.914 140 E CA -1.843 54.299 56.400 -0.429 0.000 0.794 140 E CB 1.103 30.205 29.700 -0.997 0.000 1.210 140 E HN 0.321 nan 8.360 nan 0.000 0.414 141 P HA -0.090 nan 4.420 nan 0.000 0.233 141 P C 0.382 177.664 177.300 -0.029 0.000 1.167 141 P CA 0.898 63.948 63.100 -0.084 0.000 0.770 141 P CB -0.032 31.703 31.700 0.058 0.000 0.837 142 F N -2.023 117.972 119.950 0.074 0.000 2.693 142 F HA 0.433 4.960 4.527 0.001 0.000 0.303 142 F C -0.011 175.819 175.800 0.050 0.000 1.097 142 F CA -1.397 56.636 58.000 0.055 0.000 1.330 142 F CB -0.939 38.090 39.000 0.050 0.000 1.067 142 F HN -0.323 nan 8.300 nan 0.000 0.565 143 D N 1.621 121.954 120.400 -0.111 0.000 2.341 143 D HA 0.139 4.780 4.640 0.001 0.000 0.245 143 D C 0.461 176.782 176.300 0.034 0.000 1.106 143 D CA 0.080 54.074 54.000 -0.009 0.000 0.905 143 D CB 1.547 42.299 40.800 -0.080 0.000 1.202 143 D HN 0.279 nan 8.370 nan 0.000 0.426 144 S N 0.075 115.806 115.700 0.052 0.000 2.589 144 S HA 0.062 4.532 4.470 0.001 0.000 0.265 144 S C 1.460 176.074 174.600 0.023 0.000 1.342 144 S CA -0.847 57.376 58.200 0.039 0.000 1.005 144 S CB 0.834 64.057 63.200 0.038 0.000 0.909 144 S HN 0.223 nan 8.310 nan 0.000 0.555 145 V N 1.364 121.287 119.914 0.014 0.000 2.332 145 V HA -0.182 3.939 4.120 0.001 0.000 0.248 145 V C 2.276 178.379 176.094 0.014 0.000 1.055 145 V CA 2.347 64.651 62.300 0.007 0.000 1.038 145 V CB -1.058 30.760 31.823 -0.009 0.000 0.651 145 V HN 0.854 nan 8.190 nan 0.000 0.450 146 D N -0.351 120.058 120.400 0.015 0.000 2.123 146 D HA -0.158 4.483 4.640 0.001 0.000 0.196 146 D C 2.424 178.738 176.300 0.022 0.000 0.992 146 D CA 1.791 55.801 54.000 0.016 0.000 0.833 146 D CB -0.360 40.449 40.800 0.014 0.000 0.954 146 D HN 0.423 nan 8.370 nan 0.000 0.455 147 S N -0.270 115.445 115.700 0.025 0.000 2.356 147 S HA -0.108 4.362 4.470 0.001 0.000 0.223 147 S C 2.134 176.755 174.600 0.034 0.000 1.032 147 S CA 0.722 58.939 58.200 0.028 0.000 1.005 147 S CB -0.276 62.942 63.200 0.030 0.000 0.867 147 S HN 0.183 nan 8.310 nan 0.000 0.449 148 I N 1.182 121.772 120.570 0.033 0.000 2.179 148 I HA -0.157 4.013 4.170 0.001 0.000 0.242 148 I C 2.165 178.318 176.117 0.059 0.000 1.088 148 I CA 1.113 62.440 61.300 0.046 0.000 1.357 148 I CB -0.304 37.718 38.000 0.037 0.000 1.051 148 I HN 0.317 nan 8.210 nan 0.000 0.409 149 L N 0.286 121.536 121.223 0.046 0.000 2.141 149 L HA -0.129 4.212 4.340 0.001 0.000 0.209 149 L C 2.786 179.690 176.870 0.058 0.000 1.094 149 L CA 1.004 55.874 54.840 0.050 0.000 0.763 149 L CB -0.688 41.389 42.059 0.030 0.000 0.908 149 L HN 0.226 nan 8.230 nan 0.000 0.437 150 A N 0.282 123.131 122.820 0.047 0.000 1.930 150 A HA -0.212 4.109 4.320 0.001 0.000 0.217 150 A C 2.361 179.982 177.584 0.060 0.000 1.175 150 A CA 1.550 53.613 52.037 0.044 0.000 0.627 150 A CB -0.361 18.655 19.000 0.028 0.000 0.815 150 A HN 0.271 nan 8.150 nan 0.000 0.443 151 R N -0.638 119.904 120.500 0.071 0.000 2.062 151 R HA -0.013 4.328 4.340 0.001 0.000 0.229 151 R C 2.044 178.432 176.300 0.148 0.000 1.128 151 R CA 1.926 58.079 56.100 0.089 0.000 0.960 151 R CB -0.478 29.870 30.300 0.080 0.000 0.855 151 R HN 0.386 nan 8.270 nan 0.000 0.432 152 M N -0.353 119.354 119.600 0.179 0.000 2.159 152 M HA 0.021 4.501 4.480 0.001 0.000 0.263 152 M C 2.196 178.675 176.300 0.298 0.000 1.063 152 M CA 1.838 57.315 55.300 0.295 0.000 1.110 152 M CB -1.371 31.366 32.600 0.229 0.000 1.374 152 M HN 0.429 nan 8.290 nan 0.000 0.411 153 G N -0.073 108.830 108.800 0.171 0.000 2.422 153 G HA2 -0.259 3.701 3.960 0.001 0.000 0.218 153 G HA3 -0.259 3.701 3.960 0.001 0.000 0.218 153 G C 1.212 176.160 174.900 0.081 0.000 1.146 153 G CA 1.275 46.440 45.100 0.109 0.000 0.769 153 G HN 0.466 nan 8.290 nan 0.000 0.547 154 D N 0.739 121.190 120.400 0.084 0.000 2.149 154 D HA 0.000 4.641 4.640 0.001 0.000 0.198 154 D C 2.487 178.841 176.300 0.090 0.000 0.990 154 D CA 1.374 55.408 54.000 0.057 0.000 0.839 154 D CB -0.224 40.600 40.800 0.040 0.000 0.948 154 D HN 0.260 nan 8.370 nan 0.000 0.460 155 A N -1.414 121.514 122.820 0.180 0.000 2.218 155 A HA 0.487 4.808 4.320 0.001 0.000 0.209 155 A C 1.743 179.351 177.584 0.039 0.000 1.168 155 A CA 0.936 53.151 52.037 0.296 0.000 0.804 155 A CB -0.095 19.168 19.000 0.438 0.000 0.834 155 A HN 0.459 nan 8.150 nan 0.000 0.482 156 G N -2.261 106.486 108.800 -0.088 0.000 2.183 156 G HA2 -0.135 3.826 3.960 0.001 0.000 0.168 156 G HA3 -0.135 3.826 3.960 0.001 0.000 0.168 156 G C -0.164 174.478 174.900 -0.429 0.000 1.008 156 G CA -0.301 44.628 45.100 -0.284 0.000 0.677 156 G HN 0.281 nan 8.290 nan 0.000 0.498 157 F N 2.675 122.657 119.950 0.053 0.000 2.436 157 F HA 0.632 5.159 4.527 0.001 0.000 0.340 157 F C 1.156 176.945 175.800 -0.018 0.000 1.113 157 F CA -0.275 57.736 58.000 0.018 0.000 1.022 157 F CB 1.795 40.813 39.000 0.030 0.000 1.128 157 F HN 0.209 nan 8.300 nan 0.000 0.466 158 S N 2.785 118.545 115.700 0.099 0.000 2.608 158 S HA 0.282 4.752 4.470 0.001 0.000 0.261 158 S C -2.010 172.562 174.600 -0.047 0.000 1.314 158 S CA -1.014 57.187 58.200 0.001 0.000 0.992 158 S CB 1.162 64.327 63.200 -0.058 0.000 0.935 158 S HN 0.371 nan 8.310 nan 0.000 0.564 159 P HA -0.109 nan 4.420 nan 0.000 0.215 159 P C 1.847 179.019 177.300 -0.212 0.000 1.153 159 P CA 1.441 64.489 63.100 -0.087 0.000 0.853 159 P CB -0.457 31.212 31.700 -0.052 0.000 0.788 160 V N -1.629 118.070 119.914 -0.357 0.000 2.407 160 V HA -0.246 3.875 4.120 0.001 0.000 0.248 160 V C 1.933 177.247 176.094 -1.300 0.000 1.055 160 V CA 1.826 63.680 62.300 -0.744 0.000 1.049 160 V CB -1.661 29.706 31.823 -0.760 0.000 0.662 160 V HN 0.091 nan 8.190 nan 0.000 0.455 161 E N 0.470 120.142 120.200 -0.880 0.000 2.150 161 E HA -0.093 4.258 4.350 0.001 0.000 0.193 161 E C 2.286 178.749 176.600 -0.228 0.000 0.985 161 E CA 1.380 57.485 56.400 -0.492 0.000 0.814 161 E CB -0.187 29.529 29.700 0.026 0.000 0.752 161 E HN 0.602 nan 8.360 nan 0.000 0.466 162 V N 0.764 120.563 119.914 -0.191 0.000 2.295 162 V HA -0.235 3.886 4.120 0.001 0.000 0.246 162 V C 2.319 178.384 176.094 -0.049 0.000 1.049 162 V CA 1.290 63.518 62.300 -0.119 0.000 1.024 162 V CB -0.372 31.425 31.823 -0.043 0.000 0.648 162 V HN 0.139 nan 8.190 nan 0.000 0.447 163 V N -1.077 118.808 119.914 -0.049 0.000 2.332 163 V HA -0.257 3.863 4.120 0.001 0.000 0.248 163 V C 2.315 178.511 176.094 0.170 0.000 1.055 163 V CA 2.013 64.370 62.300 0.096 0.000 1.038 163 V CB -0.764 31.102 31.823 0.070 0.000 0.651 163 V HN 0.618 nan 8.190 nan 0.000 0.450 164 W N -0.167 121.162 121.300 0.048 0.000 2.358 164 W HA -0.066 4.595 4.660 0.001 0.000 0.303 164 W C 2.297 178.932 176.519 0.194 0.000 1.208 164 W CA 0.643 58.038 57.345 0.083 0.000 1.274 164 W CB -1.442 28.062 29.460 0.073 0.000 1.138 164 W HN 0.249 nan 8.180 nan 0.000 0.515 165 L N -0.268 121.122 121.223 0.278 0.000 2.131 165 L HA -0.164 4.176 4.340 0.001 0.000 0.210 165 L C 2.216 179.162 176.870 0.126 0.000 1.092 165 L CA 0.871 55.817 54.840 0.176 0.000 0.759 165 L CB -0.830 41.118 42.059 -0.184 0.000 0.903 165 L HN -0.120 nan 8.230 nan 0.000 0.435 166 L N -0.440 120.780 121.223 -0.006 0.000 2.622 166 L HA -0.049 4.291 4.340 0.001 0.000 0.233 166 L C 2.517 179.206 176.870 -0.302 0.000 1.156 166 L CA 0.135 54.822 54.840 -0.255 0.000 0.866 166 L CB -0.470 41.489 42.059 -0.165 0.000 0.980 166 L HN 0.203 nan 8.230 nan 0.000 0.448 167 A N 0.068 122.897 122.820 0.015 0.000 2.070 167 A HA -0.210 4.111 4.320 0.001 0.000 0.220 167 A C 2.490 179.810 177.584 -0.440 0.000 1.159 167 A CA 1.634 53.554 52.037 -0.195 0.000 0.656 167 A CB -0.470 18.464 19.000 -0.111 0.000 0.800 167 A HN 0.551 nan 8.150 nan 0.000 0.453 168 S N -0.387 115.141 115.700 -0.287 0.000 2.402 168 S HA -0.276 4.195 4.470 0.001 0.000 0.233 168 S C 1.530 176.042 174.600 -0.146 0.000 1.030 168 S CA 1.546 59.668 58.200 -0.131 0.000 1.003 168 S CB -1.101 62.168 63.200 0.115 0.000 0.813 168 S HN 0.806 nan 8.310 nan 0.000 0.477 169 H N 0.345 119.042 119.070 -0.621 0.000 2.563 169 H HA 0.178 4.735 4.556 0.001 0.000 0.272 169 H C 2.021 176.889 175.328 -0.766 0.000 1.005 169 H CA 0.502 56.089 56.048 -0.769 0.000 1.171 169 H CB 0.036 28.947 29.762 -1.419 0.000 1.351 169 H HN 0.505 nan 8.280 nan 0.000 0.602 170 S N 0.991 116.358 115.700 -0.554 0.000 2.515 170 S HA -0.016 4.455 4.470 0.001 0.000 0.231 170 S C 1.014 175.478 174.600 -0.226 0.000 0.987 170 S CA 0.241 58.247 58.200 -0.323 0.000 0.936 170 S CB -0.090 62.859 63.200 -0.419 0.000 0.766 170 S HN 0.466 nan 8.310 nan 0.000 0.528 171 I N -0.799 119.622 120.570 -0.249 0.000 2.925 171 I HA 0.783 4.953 4.170 0.001 0.000 0.296 171 I C -0.630 175.036 176.117 -0.752 0.000 1.413 171 I CA -0.822 60.240 61.300 -0.397 0.000 0.932 171 I CB 0.867 38.786 38.000 -0.135 0.000 1.873 171 I HN 0.090 nan 8.210 nan 0.000 0.619 172 A N 2.504 124.910 122.820 -0.690 0.000 2.605 172 A HA 0.966 5.287 4.320 0.001 0.000 0.294 172 A C -1.293 175.830 177.584 -0.768 0.000 1.062 172 A CA -0.116 51.564 52.037 -0.595 0.000 0.682 172 A CB 1.642 20.463 19.000 -0.299 0.000 1.278 172 A HN 0.963 nan 8.150 nan 0.000 0.410 173 A N -0.070 122.296 122.820 -0.756 0.000 2.564 173 A HA 1.030 5.350 4.320 0.001 0.000 0.288 173 A C -0.365 176.776 177.584 -0.738 0.000 1.164 173 A CA -0.105 51.437 52.037 -0.825 0.000 0.712 173 A CB 1.222 20.015 19.000 -0.344 0.000 1.303 173 A HN 2.593 nan 8.150 nan 0.000 0.418 174 A N -0.265 122.252 122.820 -0.505 0.000 2.342 174 A HA 0.670 4.991 4.320 0.001 0.000 0.323 174 A C -0.660 176.893 177.584 -0.051 0.000 1.125 174 A CA -0.422 51.523 52.037 -0.153 0.000 0.785 174 A CB 0.856 19.898 19.000 0.071 0.000 1.221 174 A HN 0.602 nan 8.150 nan 0.000 0.463 175 D N 0.420 120.819 120.400 -0.000 0.000 2.455 175 D HA 0.084 4.725 4.640 0.001 0.000 0.228 175 D C 1.028 177.354 176.300 0.044 0.000 1.070 175 D CA 0.712 54.722 54.000 0.016 0.000 0.881 175 D CB 0.529 41.337 40.800 0.014 0.000 1.087 175 D HN 0.443 nan 8.370 nan 0.000 0.498 176 K N 0.238 120.680 120.400 0.070 0.000 2.391 176 K HA 0.200 4.521 4.320 0.001 0.000 0.197 176 K C 1.924 178.586 176.600 0.104 0.000 1.087 176 K CA 0.101 56.438 56.287 0.084 0.000 1.012 176 K CB 0.581 33.138 32.500 0.094 0.000 0.925 176 K HN -0.017 nan 8.250 nan 0.000 0.547 177 V N 1.728 121.719 119.914 0.127 0.000 2.295 177 V HA -0.169 3.952 4.120 0.001 0.000 0.246 177 V C 0.724 176.884 176.094 0.110 0.000 1.049 177 V CA 1.716 64.104 62.300 0.146 0.000 1.024 177 V CB -0.191 31.747 31.823 0.191 0.000 0.648 177 V HN 0.261 nan 8.190 nan 0.000 0.447 178 D N -0.352 120.106 120.400 0.096 0.000 2.420 178 D HA 0.227 4.868 4.640 0.001 0.000 0.255 178 D C -2.038 174.295 176.300 0.054 0.000 1.185 178 D CA -2.197 51.845 54.000 0.069 0.000 0.904 178 D CB 1.905 42.752 40.800 0.078 0.000 1.102 178 D HN 0.135 nan 8.370 nan 0.000 0.534 179 P HA -0.074 nan 4.420 nan 0.000 0.237 179 P C 1.116 178.433 177.300 0.030 0.000 1.178 179 P CA 0.434 63.556 63.100 0.037 0.000 0.766 179 P CB 0.157 31.878 31.700 0.035 0.000 0.876 180 S N 0.465 116.183 115.700 0.029 0.000 2.481 180 S HA -0.053 4.418 4.470 0.001 0.000 0.231 180 S C 1.292 175.910 174.600 0.029 0.000 0.996 180 S CA 0.330 58.546 58.200 0.026 0.000 0.942 180 S CB -1.162 62.052 63.200 0.023 0.000 0.768 180 S HN 0.341 nan 8.310 nan 0.000 0.520 181 I N -1.062 119.528 120.570 0.034 0.000 2.931 181 I HA 0.481 4.652 4.170 0.001 0.000 0.322 181 I C -3.018 173.114 176.117 0.025 0.000 1.446 181 I CA -2.513 58.807 61.300 0.033 0.000 0.825 181 I CB 1.139 39.166 38.000 0.046 0.000 2.195 181 I HN -0.143 nan 8.210 nan 0.000 0.608 182 P HA 0.155 nan 4.420 nan 0.000 0.269 182 P C 0.967 178.264 177.300 -0.005 0.000 1.209 182 P CA 1.103 64.209 63.100 0.010 0.000 0.776 182 P CB 1.136 32.844 31.700 0.013 0.000 0.876 183 G N 1.147 109.931 108.800 -0.026 0.000 2.136 183 G HA2 -0.190 3.770 3.960 0.001 0.000 0.242 183 G HA3 -0.190 3.770 3.960 0.001 0.000 0.242 183 G C 0.131 174.993 174.900 -0.063 0.000 0.989 183 G CA 0.098 45.173 45.100 -0.042 0.000 0.682 183 G HN 0.667 nan 8.290 nan 0.000 0.522 184 T N 3.649 118.162 114.554 -0.068 0.000 2.749 184 T HA 0.519 4.869 4.350 0.001 0.000 0.295 184 T C -1.639 172.964 174.700 -0.162 0.000 0.936 184 T CA -0.482 61.581 62.100 -0.061 0.000 1.060 184 T CB 2.210 71.078 68.868 -0.001 0.000 0.904 184 T HN 0.275 nan 8.240 nan 0.000 0.500 185 P HA 0.264 nan 4.420 nan 0.000 0.276 185 P C 0.115 177.335 177.300 -0.132 0.000 1.252 185 P CA -0.594 62.348 63.100 -0.263 0.000 0.802 185 P CB 0.765 32.376 31.700 -0.148 0.000 1.035 186 F N -0.180 119.733 119.950 -0.061 0.000 2.615 186 F HA 0.069 4.596 4.527 0.001 0.000 0.297 186 F C 1.274 177.136 175.800 0.103 0.000 1.124 186 F CA 0.525 58.539 58.000 0.025 0.000 1.451 186 F CB -0.547 38.437 39.000 -0.027 0.000 1.103 186 F HN 0.307 nan 8.300 nan 0.000 0.569 187 D N -2.485 118.020 120.400 0.175 0.000 2.610 187 D HA 0.170 4.811 4.640 0.001 0.000 0.271 187 D C 0.584 176.898 176.300 0.023 0.000 1.174 187 D CA -0.235 53.828 54.000 0.104 0.000 0.949 187 D CB 0.660 41.528 40.800 0.113 0.000 1.430 187 D HN -0.155 nan 8.370 nan 0.000 0.467 188 S N -1.654 114.045 115.700 -0.001 0.000 2.607 188 S HA 0.076 4.547 4.470 0.001 0.000 0.224 188 S C 0.736 175.342 174.600 0.010 0.000 0.969 188 S CA 0.632 58.832 58.200 0.000 0.000 0.927 188 S CB -0.961 62.236 63.200 -0.005 0.000 0.772 188 S HN 0.744 nan 8.310 nan 0.000 0.533 189 T N -1.006 113.546 114.554 -0.003 0.000 3.585 189 T HA 0.426 4.776 4.350 0.001 0.000 0.252 189 T C -2.190 172.494 174.700 -0.027 0.000 1.382 189 T CA -1.364 60.737 62.100 0.001 0.000 1.584 189 T CB 1.280 70.156 68.868 0.014 0.000 0.892 189 T HN 0.039 nan 8.240 nan 0.000 0.671 190 P HA 0.032 nan 4.420 nan 0.000 0.234 190 P C 0.507 177.789 177.300 -0.029 0.000 1.167 190 P CA 0.710 63.741 63.100 -0.114 0.000 0.763 190 P CB 0.255 31.880 31.700 -0.126 0.000 0.835 191 E N -0.422 119.805 120.200 0.045 0.000 2.499 191 E HA 0.216 4.566 4.350 0.001 0.000 0.199 191 E C -0.405 176.228 176.600 0.056 0.000 1.016 191 E CA -0.111 56.345 56.400 0.092 0.000 0.933 191 E CB 0.911 30.653 29.700 0.070 0.000 1.050 191 E HN 0.062 nan 8.360 nan 0.000 0.462 192 V N 1.491 121.427 119.914 0.037 0.000 2.577 192 V HA 0.216 4.336 4.120 0.001 0.000 0.303 192 V C -0.879 175.244 176.094 0.047 0.000 1.042 192 V CA -0.875 61.451 62.300 0.044 0.000 0.872 192 V CB 1.467 33.307 31.823 0.027 0.000 0.998 192 V HN 0.148 nan 8.190 nan 0.000 0.423 193 F N 6.765 126.666 119.950 -0.082 0.000 2.462 193 F HA 0.532 5.060 4.527 0.001 0.000 0.354 193 F C 0.158 175.907 175.800 -0.086 0.000 1.192 193 F CA -0.436 57.490 58.000 -0.123 0.000 1.173 193 F CB -0.218 38.693 39.000 -0.149 0.000 1.402 193 F HN 0.759 nan 8.300 nan 0.000 0.595 194 D N 0.686 120.874 120.400 -0.353 0.000 2.744 194 D HA 0.213 4.854 4.640 0.001 0.000 0.304 194 D C 0.209 176.374 176.300 -0.224 0.000 1.179 194 D CA -0.377 53.482 54.000 -0.234 0.000 1.024 194 D CB 0.773 41.521 40.800 -0.088 0.000 1.453 194 D HN 0.110 nan 8.370 nan 0.000 0.529 195 S N -1.340 114.300 115.700 -0.101 0.000 2.593 195 S HA -0.076 4.394 4.470 0.001 0.000 0.217 195 S C 1.178 175.792 174.600 0.023 0.000 0.966 195 S CA -0.023 58.192 58.200 0.025 0.000 0.914 195 S CB -0.198 62.999 63.200 -0.004 0.000 0.776 195 S HN 0.335 nan 8.310 nan 0.000 0.523 196 Q N 1.025 120.794 119.800 -0.051 0.000 2.135 196 Q HA -0.086 4.255 4.340 0.001 0.000 0.204 196 Q C 1.543 177.516 176.000 -0.045 0.000 0.981 196 Q CA 1.342 57.096 55.803 -0.082 0.000 0.856 196 Q CB -0.765 27.909 28.738 -0.107 0.000 0.902 196 Q HN 0.740 nan 8.270 nan 0.000 0.425 197 F N 0.360 120.177 119.950 -0.221 0.000 2.126 197 F HA -0.214 4.313 4.527 0.001 0.000 0.299 197 F C 1.723 177.356 175.800 -0.278 0.000 1.096 197 F CA 1.251 59.075 58.000 -0.294 0.000 1.255 197 F CB -0.460 38.228 39.000 -0.521 0.000 0.997 197 F HN -0.009 nan 8.300 nan 0.000 0.479 198 F N -0.046 119.730 119.950 -0.289 0.000 2.325 198 F HA -0.071 4.456 4.527 0.001 0.000 0.299 198 F C 2.223 177.999 175.800 -0.040 0.000 1.090 198 F CA 0.883 58.666 58.000 -0.362 0.000 1.392 198 F CB -0.521 38.216 39.000 -0.438 0.000 1.053 198 F HN -0.035 nan 8.300 nan 0.000 0.521 199 I N -0.019 120.622 120.570 0.119 0.000 2.193 199 I HA -0.208 3.963 4.170 0.001 0.000 0.240 199 I C 2.077 178.210 176.117 0.028 0.000 1.084 199 I CA 1.452 62.850 61.300 0.164 0.000 1.365 199 I CB -0.364 37.680 38.000 0.074 0.000 1.064 199 I HN 0.079 nan 8.210 nan 0.000 0.410 200 E N 0.222 120.376 120.200 -0.076 0.000 2.216 200 E HA -0.147 4.203 4.350 0.001 0.000 0.192 200 E C 2.040 178.577 176.600 -0.106 0.000 0.988 200 E CA 1.641 57.969 56.400 -0.120 0.000 0.834 200 E CB -0.059 29.568 29.700 -0.123 0.000 0.772 200 E HN 0.568 nan 8.360 nan 0.000 0.479 201 T N -1.042 113.427 114.554 -0.143 0.000 2.962 201 T HA -0.140 4.211 4.350 0.001 0.000 0.270 201 T C 1.848 176.475 174.700 -0.122 0.000 1.088 201 T CA 0.761 62.776 62.100 -0.141 0.000 1.127 201 T CB 0.043 68.777 68.868 -0.222 0.000 0.883 201 T HN -0.063 nan 8.240 nan 0.000 0.493 202 Q N 0.202 119.969 119.800 -0.055 0.000 2.424 202 Q HA 0.353 4.694 4.340 0.001 0.000 0.204 202 Q C 0.425 176.329 176.000 -0.160 0.000 0.933 202 Q CA 0.083 55.823 55.803 -0.104 0.000 0.929 202 Q CB -0.438 28.295 28.738 -0.008 0.000 1.037 202 Q HN 0.604 nan 8.270 nan 0.000 0.511 203 L N 1.542 122.695 121.223 -0.117 0.000 2.461 203 L HA 0.098 4.438 4.340 0.001 0.000 0.272 203 L C 0.279 177.129 176.870 -0.033 0.000 1.197 203 L CA -0.234 54.569 54.840 -0.062 0.000 0.836 203 L CB 0.381 42.436 42.059 -0.007 0.000 1.105 203 L HN -0.014 nan 8.230 nan 0.000 0.477 204 K N 1.616 122.013 120.400 -0.004 0.000 2.472 204 K HA 0.090 4.411 4.320 0.001 0.000 0.280 204 K C 0.457 177.072 176.600 0.025 0.000 1.028 204 K CA -0.135 56.152 56.287 0.000 0.000 1.045 204 K CB 0.207 32.701 32.500 -0.010 0.000 0.902 204 K HN 0.766 nan 8.250 nan 0.000 0.478 205 G N 2.206 111.011 108.800 0.009 0.000 2.491 205 G HA2 -0.010 3.951 3.960 0.001 0.000 0.242 205 G HA3 -0.010 3.951 3.960 0.001 0.000 0.242 205 G C 0.225 175.090 174.900 -0.058 0.000 1.266 205 G CA -0.389 44.693 45.100 -0.029 0.000 0.844 205 G HN 0.725 nan 8.290 nan 0.000 0.571 206 R N 0.111 120.564 120.500 -0.078 0.000 2.470 206 R HA 0.241 4.581 4.340 0.001 0.000 0.210 206 R C -0.133 176.099 176.300 -0.112 0.000 0.873 206 R CA 0.111 56.170 56.100 -0.068 0.000 1.015 206 R CB 0.309 30.605 30.300 -0.006 0.000 1.348 206 R HN 0.526 nan 8.270 nan 0.000 0.650 207 L N -3.354 117.759 121.223 -0.182 0.000 2.671 207 L HA 0.562 4.903 4.340 0.001 0.000 0.259 207 L C -1.246 175.446 176.870 -0.298 0.000 1.021 207 L CA -1.036 53.709 54.840 -0.158 0.000 0.871 207 L CB 0.852 42.899 42.059 -0.020 0.000 1.472 207 L HN -0.299 nan 8.230 nan 0.000 0.410 208 F N 1.576 121.548 119.950 0.037 0.000 2.415 208 F HA 0.617 5.145 4.527 0.001 0.000 0.348 208 F C -1.348 174.478 175.800 0.042 0.000 1.119 208 F CA -1.438 56.586 58.000 0.040 0.000 1.069 208 F CB 1.379 40.398 39.000 0.032 0.000 1.124 208 F HN 0.486 nan 8.300 nan 0.000 0.472 209 P HA 0.008 nan 4.420 nan 0.000 0.223 209 P C 0.707 178.081 177.300 0.124 0.000 1.151 209 P CA 1.017 64.198 63.100 0.135 0.000 0.787 209 P CB 0.562 32.330 31.700 0.114 0.000 0.788 210 G N -0.195 108.690 108.800 0.142 0.000 3.054 210 G HA2 0.328 4.289 3.960 0.001 0.000 0.201 210 G HA3 0.328 4.289 3.960 0.001 0.000 0.201 210 G C -0.260 174.688 174.900 0.079 0.000 1.694 210 G CA 0.386 45.541 45.100 0.092 0.000 0.742 210 G HN 0.281 nan 8.290 nan 0.000 0.790 211 T N -1.923 112.649 114.554 0.030 0.000 2.881 211 T HA 0.576 4.927 4.350 0.001 0.000 0.278 211 T C 0.924 175.521 174.700 -0.173 0.000 0.982 211 T CA 0.420 62.498 62.100 -0.037 0.000 0.989 211 T CB 1.745 70.582 68.868 -0.051 0.000 1.058 211 T HN 0.891 nan 8.240 nan 0.000 0.529 212 A N 0.227 122.871 122.820 -0.294 0.000 2.348 212 A HA 0.266 4.586 4.320 0.001 0.000 0.224 212 A C 1.000 178.102 177.584 -0.803 0.000 1.227 212 A CA 0.169 51.765 52.037 -0.735 0.000 0.885 212 A CB -0.204 18.587 19.000 -0.348 0.000 0.933 212 A HN 0.883 nan 8.150 nan 0.000 0.506 213 D N -0.769 119.373 120.400 -0.430 0.000 2.740 213 D HA 0.059 4.699 4.640 0.001 0.000 0.301 213 D C -0.981 175.212 176.300 -0.179 0.000 1.408 213 D CA -0.473 53.359 54.000 -0.279 0.000 0.808 213 D CB -0.811 39.887 40.800 -0.169 0.000 1.128 213 D HN 0.037 nan 8.370 nan 0.000 0.465 214 N N 1.391 119.985 118.700 -0.176 0.000 2.499 214 N HA 0.080 4.820 4.740 0.001 0.000 0.281 214 N C 0.002 175.506 175.510 -0.010 0.000 1.098 214 N CA -0.275 52.740 53.050 -0.060 0.000 0.979 214 N CB 2.142 40.623 38.487 -0.010 0.000 1.121 214 N HN 0.223 nan 8.380 nan 0.000 0.466 215 K N 0.522 120.925 120.400 0.004 0.000 2.412 215 K HA 0.137 4.457 4.320 0.001 0.000 0.281 215 K C 0.894 177.599 176.600 0.174 0.000 1.027 215 K CA 0.539 56.841 56.287 0.025 0.000 0.989 215 K CB 0.132 32.577 32.500 -0.093 0.000 0.935 215 K HN 0.744 nan 8.250 nan 0.000 0.475 216 G N 2.513 111.452 108.800 0.233 0.000 2.159 216 G HA2 -0.297 3.664 3.960 0.001 0.000 0.256 216 G HA3 -0.297 3.664 3.960 0.001 0.000 0.256 216 G C -0.141 174.873 174.900 0.189 0.000 0.977 216 G CA 0.508 45.780 45.100 0.286 0.000 0.652 216 G HN 0.665 nan 8.290 nan 0.000 0.531 217 E N 0.170 120.470 120.200 0.167 0.000 2.195 217 E HA 0.742 5.093 4.350 0.001 0.000 0.271 217 E C 0.256 176.996 176.600 0.233 0.000 0.923 217 E CA -0.180 56.338 56.400 0.198 0.000 0.790 217 E CB 1.367 31.195 29.700 0.213 0.000 1.155 217 E HN 0.692 nan 8.360 nan 0.000 0.402 218 A N 3.529 126.470 122.820 0.201 0.000 2.313 218 A HA 0.386 4.707 4.320 0.001 0.000 0.323 218 A C -0.524 177.079 177.584 0.032 0.000 1.133 218 A CA -0.662 51.440 52.037 0.108 0.000 0.847 218 A CB 1.170 20.139 19.000 -0.052 0.000 1.308 218 A HN 0.719 nan 8.150 nan 0.000 0.475 219 Q N 0.518 120.139 119.800 -0.298 0.000 2.361 219 Q HA 0.294 4.634 4.340 0.001 0.000 0.276 219 Q C 0.208 176.078 176.000 -0.217 0.000 1.022 219 Q CA 0.234 55.667 55.803 -0.616 0.000 0.898 219 Q CB 0.770 29.141 28.738 -0.611 0.000 1.246 219 Q HN 0.692 nan 8.270 nan 0.000 0.410 220 S N 1.845 117.441 115.700 -0.174 0.000 2.654 220 S HA 0.388 4.858 4.470 0.001 0.000 0.283 220 S C -1.871 172.717 174.600 -0.021 0.000 1.180 220 S CA -1.812 56.367 58.200 -0.034 0.000 1.021 220 S CB 0.913 64.125 63.200 0.021 0.000 1.018 220 S HN 0.451 nan 8.310 nan 0.000 0.532 221 P HA 0.224 nan 4.420 nan 0.000 0.240 221 P C -0.395 176.994 177.300 0.148 0.000 1.190 221 P CA 0.423 63.586 63.100 0.105 0.000 0.781 221 P CB 0.089 31.840 31.700 0.084 0.000 0.931 222 L N -0.521 120.745 121.223 0.072 0.000 2.455 222 L HA 0.397 4.737 4.340 0.001 0.000 0.264 222 L C -0.014 176.894 176.870 0.062 0.000 0.968 222 L CA -1.217 53.667 54.840 0.074 0.000 0.827 222 L CB 2.417 44.485 42.059 0.014 0.000 1.317 222 L HN -0.274 nan 8.230 nan 0.000 0.407 223 Q N 1.184 121.025 119.800 0.068 0.000 2.395 223 Q HA 0.373 4.714 4.340 0.001 0.000 0.271 223 Q C 1.042 177.073 176.000 0.052 0.000 1.026 223 Q CA 1.586 57.424 55.803 0.060 0.000 0.900 223 Q CB 0.902 29.674 28.738 0.057 0.000 1.266 223 Q HN 0.791 nan 8.270 nan 0.000 0.430 224 G N 2.271 111.102 108.800 0.051 0.000 2.162 224 G HA2 -0.317 3.643 3.960 0.001 0.000 0.260 224 G HA3 -0.317 3.643 3.960 0.001 0.000 0.260 224 G C -0.089 174.834 174.900 0.038 0.000 0.976 224 G CA 0.426 45.550 45.100 0.040 0.000 0.655 224 G HN 0.684 nan 8.290 nan 0.000 0.533 225 E N -0.654 119.578 120.200 0.054 0.000 2.317 225 E HA 0.735 5.085 4.350 0.001 0.000 0.270 225 E C -0.861 175.806 176.600 0.111 0.000 0.885 225 E CA -1.122 55.322 56.400 0.073 0.000 0.760 225 E CB 1.759 31.497 29.700 0.064 0.000 1.227 225 E HN 0.296 nan 8.360 nan 0.000 0.434 226 I N 2.879 123.553 120.570 0.173 0.000 2.530 226 I HA 0.482 4.652 4.170 0.001 0.000 0.297 226 I C -0.962 175.334 176.117 0.299 0.000 1.011 226 I CA -0.911 60.526 61.300 0.228 0.000 1.107 226 I CB 1.298 39.442 38.000 0.240 0.000 1.285 226 I HN 0.531 nan 8.210 nan 0.000 0.436 227 R N 7.480 128.107 120.500 0.212 0.000 2.437 227 R HA 0.553 4.893 4.340 0.001 0.000 0.310 227 R C -1.562 174.811 176.300 0.121 0.000 0.955 227 R CA -0.685 55.505 56.100 0.150 0.000 0.851 227 R CB 1.302 31.664 30.300 0.103 0.000 1.161 227 R HN 0.641 nan 8.270 nan 0.000 0.446 228 L N 3.767 125.002 121.223 0.020 0.000 2.397 228 L HA 0.112 4.452 4.340 0.001 0.000 0.271 228 L C 1.461 178.373 176.870 0.069 0.000 1.148 228 L CA -0.269 54.587 54.840 0.028 0.000 0.825 228 L CB 1.273 43.283 42.059 -0.082 0.000 1.117 228 L HN 0.717 nan 8.230 nan 0.000 0.456 229 Q N 1.645 121.496 119.800 0.086 0.000 2.124 229 Q HA -0.183 4.158 4.340 0.001 0.000 0.202 229 Q C 2.033 178.077 176.000 0.073 0.000 0.977 229 Q CA 2.229 58.076 55.803 0.072 0.000 0.850 229 Q CB -0.021 28.761 28.738 0.074 0.000 0.901 229 Q HN 0.837 nan 8.270 nan 0.000 0.429 230 S N -0.215 115.517 115.700 0.054 0.000 2.368 230 S HA -0.150 4.320 4.470 0.001 0.000 0.225 230 S C 1.454 176.054 174.600 0.001 0.000 1.030 230 S CA 1.258 59.475 58.200 0.030 0.000 0.999 230 S CB -0.452 62.766 63.200 0.030 0.000 0.844 230 S HN 0.380 nan 8.310 nan 0.000 0.459 231 D N 0.982 121.401 120.400 0.033 0.000 2.144 231 D HA -0.059 4.582 4.640 0.001 0.000 0.200 231 D C 1.754 177.921 176.300 -0.223 0.000 0.978 231 D CA 1.427 55.425 54.000 -0.004 0.000 0.833 231 D CB -0.685 40.242 40.800 0.212 0.000 0.961 231 D HN 0.693 nan 8.370 nan 0.000 0.470 232 H N 0.530 119.495 119.070 -0.175 0.000 2.319 232 H HA -0.076 4.480 4.556 0.001 0.000 0.297 232 H C 2.135 177.308 175.328 -0.259 0.000 1.097 232 H CA 1.552 57.481 56.048 -0.198 0.000 1.285 232 H CB -0.230 29.472 29.762 -0.100 0.000 1.368 232 H HN 0.047 nan 8.280 nan 0.000 0.495 233 L N -0.357 120.848 121.223 -0.030 0.000 2.072 233 L HA -0.118 4.222 4.340 0.001 0.000 0.205 233 L C 2.562 179.276 176.870 -0.260 0.000 1.079 233 L CA 0.821 55.611 54.840 -0.083 0.000 0.752 233 L CB -0.339 41.719 42.059 -0.001 0.000 0.906 233 L HN 0.307 nan 8.230 nan 0.000 0.436 234 L N -0.110 120.902 121.223 -0.351 0.000 2.131 234 L HA -0.181 4.160 4.340 0.001 0.000 0.210 234 L C 2.755 179.124 176.870 -0.835 0.000 1.092 234 L CA 1.052 55.621 54.840 -0.451 0.000 0.759 234 L CB -0.665 41.198 42.059 -0.328 0.000 0.903 234 L HN 0.242 nan 8.230 nan 0.000 0.435 235 A N -0.252 121.775 122.820 -1.321 0.000 2.119 235 A HA -0.108 4.212 4.320 0.001 0.000 0.217 235 A C 2.304 179.520 177.584 -0.613 0.000 1.153 235 A CA 1.220 52.384 52.037 -1.455 0.000 0.692 235 A CB -0.243 17.953 19.000 -1.340 0.000 0.799 235 A HN 0.391 nan 8.150 nan 0.000 0.458 236 R N -1.154 119.072 120.500 -0.457 0.000 2.369 236 R HA 0.112 4.452 4.340 0.001 0.000 0.210 236 R C 0.035 176.235 176.300 -0.166 0.000 0.881 236 R CA -0.092 55.842 56.100 -0.277 0.000 1.031 236 R CB 0.278 30.395 30.300 -0.306 0.000 1.184 236 R HN 0.440 nan 8.270 nan 0.000 0.581 237 D N 1.482 121.788 120.400 -0.156 0.000 2.414 237 D HA 0.013 4.654 4.640 0.001 0.000 0.242 237 D C -1.731 174.535 176.300 -0.058 0.000 1.129 237 D CA -1.687 52.262 54.000 -0.085 0.000 0.885 237 D CB 1.624 42.380 40.800 -0.074 0.000 1.198 237 D HN -0.149 nan 8.370 nan 0.000 0.437 238 P HA -0.129 nan 4.420 nan 0.000 0.219 238 P C 1.043 178.337 177.300 -0.010 0.000 1.146 238 P CA 1.164 64.253 63.100 -0.018 0.000 0.808 238 P CB 0.213 31.906 31.700 -0.012 0.000 0.779 239 Q N -1.286 118.507 119.800 -0.012 0.000 2.224 239 Q HA -0.070 4.271 4.340 0.001 0.000 0.203 239 Q C 1.312 177.313 176.000 0.002 0.000 0.970 239 Q CA 1.896 57.696 55.803 -0.006 0.000 0.865 239 Q CB -0.318 28.416 28.738 -0.007 0.000 0.922 239 Q HN 0.403 nan 8.270 nan 0.000 0.445 240 T N -5.020 109.537 114.554 0.006 0.000 3.009 240 T HA 0.378 4.729 4.350 0.001 0.000 0.267 240 T C 1.661 176.416 174.700 0.090 0.000 0.942 240 T CA 0.262 62.391 62.100 0.048 0.000 0.883 240 T CB 0.282 69.186 68.868 0.060 0.000 1.192 240 T HN 0.128 nan 8.240 nan 0.000 0.524 241 A N 0.928 123.766 122.820 0.030 0.000 1.930 241 A HA 0.032 4.353 4.320 0.001 0.000 0.217 241 A C 2.461 180.118 177.584 0.121 0.000 1.175 241 A CA 1.321 53.383 52.037 0.043 0.000 0.627 241 A CB -1.364 17.621 19.000 -0.026 0.000 0.815 241 A HN 0.645 nan 8.150 nan 0.000 0.443 242 c N -1.228 117.422 118.600 0.082 0.000 2.446 242 c HA -0.030 4.540 4.570 0.001 0.000 0.277 242 c C 2.697 176.843 174.090 0.092 0.000 1.275 242 c CA 1.367 57.742 56.329 0.078 0.000 1.727 242 c CB -0.846 41.693 42.510 0.049 0.000 2.010 242 c HN 0.763 nan 8.230 nan 0.000 0.486 243 E N -0.068 120.194 120.200 0.104 0.000 2.072 243 E HA -0.172 4.179 4.350 0.001 0.000 0.191 243 E C 2.023 178.686 176.600 0.105 0.000 0.985 243 E CA 1.092 57.553 56.400 0.101 0.000 0.801 243 E CB -0.385 29.359 29.700 0.073 0.000 0.750 243 E HN 0.724 nan 8.360 nan 0.000 0.452 244 W N 1.382 122.667 121.300 -0.025 0.000 2.335 244 W HA -0.241 4.420 4.660 0.001 0.000 0.311 244 W C 2.080 178.552 176.519 -0.078 0.000 1.213 244 W CA 2.082 59.418 57.345 -0.015 0.000 1.274 244 W CB -0.477 29.031 29.460 0.079 0.000 1.148 244 W HN 0.274 nan 8.180 nan 0.000 0.498 245 Q N 0.305 120.250 119.800 0.240 0.000 2.167 245 Q HA -0.181 4.159 4.340 0.001 0.000 0.202 245 Q C 2.353 178.298 176.000 -0.091 0.000 0.970 245 Q CA 2.195 58.063 55.803 0.108 0.000 0.855 245 Q CB -0.299 28.520 28.738 0.135 0.000 0.911 245 Q HN 0.203 nan 8.270 nan 0.000 0.438 246 S N -0.461 115.192 115.700 -0.079 0.000 2.469 246 S HA -0.103 4.368 4.470 0.001 0.000 0.238 246 S C 1.696 176.164 174.600 -0.220 0.000 0.998 246 S CA 0.707 58.834 58.200 -0.120 0.000 0.957 246 S CB -0.088 63.085 63.200 -0.046 0.000 0.764 246 S HN 0.328 nan 8.310 nan 0.000 0.514 247 M N 1.406 120.777 119.600 -0.382 0.000 2.419 247 M HA 0.270 4.751 4.480 0.001 0.000 0.264 247 M C 0.572 176.636 176.300 -0.394 0.000 1.082 247 M CA 0.058 55.020 55.300 -0.564 0.000 1.119 247 M CB -1.250 30.509 32.600 -1.401 0.000 1.398 247 M HN 0.098 nan 8.290 nan 0.000 0.453 248 V N 3.258 122.993 119.914 -0.299 0.000 2.540 248 V HA -0.006 4.114 4.120 0.001 0.000 0.297 248 V C 1.393 177.363 176.094 -0.207 0.000 1.024 248 V CA 0.243 62.415 62.300 -0.214 0.000 1.105 248 V CB -0.282 31.352 31.823 -0.315 0.000 0.938 248 V HN 0.726 nan 8.190 nan 0.000 0.482 249 N N 3.469 122.084 118.700 -0.142 0.000 2.721 249 N HA -0.220 4.521 4.740 0.001 0.000 0.249 249 N C 0.109 175.547 175.510 -0.120 0.000 1.072 249 N CA 0.597 53.579 53.050 -0.114 0.000 0.710 249 N CB -0.408 38.011 38.487 -0.113 0.000 0.993 249 N HN 0.797 nan 8.380 nan 0.000 0.547 250 N N 0.988 119.605 118.700 -0.139 0.000 2.703 250 N HA 0.137 4.878 4.740 0.001 0.000 0.283 250 N C 0.700 176.132 175.510 -0.131 0.000 1.851 250 N CA -0.298 52.671 53.050 -0.136 0.000 0.826 250 N CB 0.824 39.213 38.487 -0.163 0.000 1.239 250 N HN 0.286 nan 8.380 nan 0.000 0.495 251 Q N 1.021 120.764 119.800 -0.096 0.000 2.096 251 Q HA 0.073 4.413 4.340 0.001 0.000 0.204 251 Q C -1.097 174.869 176.000 -0.056 0.000 0.982 251 Q CA 2.087 57.845 55.803 -0.075 0.000 0.850 251 Q CB -0.528 28.183 28.738 -0.045 0.000 0.901 251 Q HN 0.355 nan 8.270 nan 0.000 0.422 252 P HA -0.148 nan 4.420 nan 0.000 0.217 252 P C 0.575 177.824 177.300 -0.084 0.000 1.150 252 P CA 1.506 64.574 63.100 -0.053 0.000 0.832 252 P CB -0.074 31.593 31.700 -0.055 0.000 0.787 253 K N -0.116 120.208 120.400 -0.126 0.000 2.057 253 K HA -0.081 4.239 4.320 0.001 0.000 0.206 253 K C 2.031 178.509 176.600 -0.203 0.000 1.050 253 K CA 1.084 57.254 56.287 -0.196 0.000 0.935 253 K CB -0.552 31.819 32.500 -0.214 0.000 0.715 253 K HN 0.015 nan 8.250 nan 0.000 0.439 254 I N 1.323 121.801 120.570 -0.152 0.000 2.163 254 I HA -0.353 3.818 4.170 0.001 0.000 0.243 254 I C 2.531 178.709 176.117 0.102 0.000 1.085 254 I CA 1.543 62.793 61.300 -0.084 0.000 1.347 254 I CB -0.244 37.664 38.000 -0.153 0.000 1.044 254 I HN 0.337 nan 8.210 nan 0.000 0.408 255 Q N 0.139 120.004 119.800 0.109 0.000 2.020 255 Q HA -0.229 4.111 4.340 0.001 0.000 0.202 255 Q C 2.161 178.225 176.000 0.107 0.000 0.982 255 Q CA 1.707 57.626 55.803 0.194 0.000 0.838 255 Q CB -0.369 28.437 28.738 0.113 0.000 0.899 255 Q HN 0.506 nan 8.270 nan 0.000 0.423 256 N N 0.524 119.218 118.700 -0.011 0.000 2.084 256 N HA -0.168 4.572 4.740 0.001 0.000 0.190 256 N C 1.697 177.137 175.510 -0.116 0.000 1.030 256 N CA 1.063 54.072 53.050 -0.069 0.000 0.849 256 N CB 0.157 38.571 38.487 -0.121 0.000 1.012 256 N HN 0.113 nan 8.380 nan 0.000 0.423 257 R N -0.080 120.279 120.500 -0.234 0.000 2.090 257 R HA -0.057 4.283 4.340 0.001 0.000 0.228 257 R C 2.048 178.349 176.300 0.002 0.000 1.110 257 R CA 0.417 56.280 56.100 -0.395 0.000 0.973 257 R CB -1.209 28.432 30.300 -1.099 0.000 0.869 257 R HN 0.319 nan 8.270 nan 0.000 0.440 258 F N 1.607 121.556 119.950 -0.002 0.000 2.146 258 F HA -0.075 4.452 4.527 0.001 0.000 0.298 258 F C 2.230 178.067 175.800 0.061 0.000 1.096 258 F CA 1.158 59.227 58.000 0.116 0.000 1.275 258 F CB -0.368 38.789 39.000 0.263 0.000 1.008 258 F HN 0.016 nan 8.300 nan 0.000 0.480 259 A N 0.383 123.228 122.820 0.042 0.000 1.877 259 A HA -0.055 4.266 4.320 0.001 0.000 0.216 259 A C 2.421 179.959 177.584 -0.078 0.000 1.186 259 A CA 1.868 53.862 52.037 -0.071 0.000 0.620 259 A CB -1.580 17.421 19.000 0.003 0.000 0.822 259 A HN 0.475 nan 8.150 nan 0.000 0.443 260 A N -1.053 121.750 122.820 -0.028 0.000 1.902 260 A HA -0.068 4.252 4.320 0.001 0.000 0.217 260 A C 2.282 179.895 177.584 0.049 0.000 1.181 260 A CA 2.281 54.325 52.037 0.012 0.000 0.623 260 A CB -1.123 17.883 19.000 0.009 0.000 0.818 260 A HN 0.445 nan 8.150 nan 0.000 0.443 261 T N -0.222 114.370 114.554 0.063 0.000 2.942 261 T HA -0.030 4.320 4.350 0.001 0.000 0.265 261 T C 1.931 176.644 174.700 0.021 0.000 1.062 261 T CA 1.194 63.383 62.100 0.149 0.000 1.139 261 T CB -0.184 68.844 68.868 0.266 0.000 0.883 261 T HN 0.248 nan 8.240 nan 0.000 0.468 262 M N 1.478 120.946 119.600 -0.219 0.000 2.159 262 M HA -0.041 4.440 4.480 0.001 0.000 0.263 262 M C 2.653 178.916 176.300 -0.061 0.000 1.063 262 M CA 1.087 56.228 55.300 -0.264 0.000 1.110 262 M CB -1.314 30.944 32.600 -0.570 0.000 1.374 262 M HN 0.266 nan 8.290 nan 0.000 0.411 263 S N 0.232 115.921 115.700 -0.018 0.000 2.368 263 S HA -0.183 4.288 4.470 0.001 0.000 0.225 263 S C 1.993 176.628 174.600 0.059 0.000 1.030 263 S CA 1.606 59.842 58.200 0.059 0.000 0.999 263 S CB -0.111 63.144 63.200 0.091 0.000 0.844 263 S HN 0.467 nan 8.310 nan 0.000 0.459 264 K N 0.320 120.769 120.400 0.081 0.000 2.057 264 K HA -0.105 4.215 4.320 0.001 0.000 0.207 264 K C 2.372 179.054 176.600 0.136 0.000 1.049 264 K CA 1.658 57.995 56.287 0.083 0.000 0.931 264 K CB -0.333 32.254 32.500 0.146 0.000 0.714 264 K HN 0.480 nan 8.250 nan 0.000 0.440 265 M N 0.254 120.017 119.600 0.270 0.000 2.117 265 M HA -0.122 4.359 4.480 0.001 0.000 0.262 265 M C 1.961 178.345 176.300 0.140 0.000 1.065 265 M CA 1.823 57.318 55.300 0.326 0.000 1.114 265 M CB -0.141 32.594 32.600 0.225 0.000 1.361 265 M HN 0.277 nan 8.290 nan 0.000 0.408 266 A N 0.043 122.921 122.820 0.096 0.000 2.121 266 A HA -0.046 4.274 4.320 0.001 0.000 0.218 266 A C 1.726 179.326 177.584 0.028 0.000 1.154 266 A CA 1.026 53.114 52.037 0.086 0.000 0.679 266 A CB -0.659 18.412 19.000 0.117 0.000 0.795 266 A HN 0.612 nan 8.150 nan 0.000 0.458 267 L N -0.370 120.836 121.223 -0.029 0.000 2.640 267 L HA 0.255 4.596 4.340 0.001 0.000 0.230 267 L C -0.062 176.699 176.870 -0.182 0.000 1.123 267 L CA -0.427 54.344 54.840 -0.116 0.000 0.900 267 L CB -0.026 41.925 42.059 -0.180 0.000 1.146 267 L HN 0.227 nan 8.230 nan 0.000 0.484 268 L N 0.875 121.970 121.223 -0.213 0.000 2.540 268 L HA 0.077 4.418 4.340 0.001 0.000 0.276 268 L C 1.456 178.040 176.870 -0.478 0.000 1.212 268 L CA 0.898 55.434 54.840 -0.506 0.000 0.893 268 L CB 0.178 41.888 42.059 -0.581 0.000 1.138 268 L HN 0.418 nan 8.230 nan 0.000 0.491 269 G N 1.643 110.103 108.800 -0.567 0.000 2.179 269 G HA2 -0.202 3.759 3.960 0.001 0.000 0.260 269 G HA3 -0.202 3.759 3.960 0.001 0.000 0.260 269 G C 0.179 175.049 174.900 -0.050 0.000 0.977 269 G CA -0.164 44.863 45.100 -0.122 0.000 0.641 269 G HN 0.540 nan 8.290 nan 0.000 0.533 270 Q N -0.292 119.440 119.800 -0.112 0.000 2.496 270 Q HA 0.618 4.959 4.340 0.001 0.000 0.286 270 Q C -1.526 174.405 176.000 -0.116 0.000 1.103 270 Q CA -0.744 55.005 55.803 -0.090 0.000 0.813 270 Q CB 1.909 30.586 28.738 -0.101 0.000 1.444 270 Q HN 0.206 nan 8.270 nan 0.000 0.443 271 D N 0.812 121.143 120.400 -0.115 0.000 2.440 271 D HA 0.131 4.771 4.640 0.001 0.000 0.252 271 D C 0.517 176.705 176.300 -0.186 0.000 1.180 271 D CA -0.242 53.680 54.000 -0.130 0.000 0.894 271 D CB 0.959 41.712 40.800 -0.078 0.000 1.111 271 D HN 0.491 nan 8.370 nan 0.000 0.544 272 K N 1.639 121.861 120.400 -0.296 0.000 2.127 272 K HA -0.211 4.109 4.320 0.001 0.000 0.208 272 K C 1.423 177.856 176.600 -0.278 0.000 1.047 272 K CA 2.064 58.056 56.287 -0.491 0.000 0.927 272 K CB 0.032 32.152 32.500 -0.632 0.000 0.716 272 K HN 0.503 nan 8.250 nan 0.000 0.450 273 T N -1.403 113.053 114.554 -0.164 0.000 3.007 273 T HA 0.004 4.354 4.350 0.001 0.000 0.270 273 T C 1.293 175.965 174.700 -0.046 0.000 1.107 273 T CA 0.646 62.699 62.100 -0.079 0.000 1.118 273 T CB 0.063 68.896 68.868 -0.057 0.000 0.889 273 T HN 0.132 nan 8.240 nan 0.000 0.506 274 K N 0.502 120.867 120.400 -0.058 0.000 2.374 274 K HA 0.405 4.725 4.320 0.001 0.000 0.196 274 K C 0.485 177.074 176.600 -0.019 0.000 1.023 274 K CA -0.012 56.256 56.287 -0.032 0.000 1.103 274 K CB 0.408 32.888 32.500 -0.033 0.000 0.848 274 K HN 0.439 nan 8.250 nan 0.000 0.528 275 L N 0.467 121.680 121.223 -0.017 0.000 2.298 275 L HA 0.539 4.879 4.340 0.001 0.000 0.268 275 L C 0.070 177.007 176.870 0.112 0.000 1.010 275 L CA -1.191 53.667 54.840 0.031 0.000 0.812 275 L CB 1.255 43.324 42.059 0.016 0.000 1.331 275 L HN -0.193 nan 8.230 nan 0.000 0.450 276 I N 0.345 120.973 120.570 0.096 0.000 2.404 276 I HA 0.177 4.348 4.170 0.001 0.000 0.293 276 I C -0.611 175.485 176.117 -0.035 0.000 0.992 276 I CA -0.555 60.780 61.300 0.057 0.000 1.149 276 I CB 1.778 39.774 38.000 -0.006 0.000 1.315 276 I HN 0.482 nan 8.210 nan 0.000 0.446 277 D N 5.511 125.838 120.400 -0.122 0.000 2.358 277 D HA 0.099 4.740 4.640 0.001 0.000 0.258 277 D C -0.240 175.858 176.300 -0.338 0.000 1.223 277 D CA 0.036 53.700 54.000 -0.560 0.000 0.886 277 D CB 0.818 41.373 40.800 -0.408 0.000 1.120 277 D HN 0.519 nan 8.370 nan 0.000 0.482 278 c N 3.013 121.408 118.600 -0.341 0.000 2.849 278 c HA 0.163 4.733 4.570 0.001 0.000 0.271 278 c C 2.052 176.135 174.090 -0.010 0.000 1.519 278 c CA -0.448 55.824 56.329 -0.095 0.000 1.783 278 c CB -1.104 41.434 42.510 0.045 0.000 2.869 278 c HN 0.581 nan 8.230 nan 0.000 0.527 279 S N 2.202 117.822 115.700 -0.133 0.000 2.399 279 S HA -0.182 4.289 4.470 0.001 0.000 0.231 279 S C 1.654 176.245 174.600 -0.016 0.000 1.022 279 S CA 2.044 60.209 58.200 -0.058 0.000 0.983 279 S CB -0.249 62.873 63.200 -0.131 0.000 0.803 279 S HN 0.905 nan 8.310 nan 0.000 0.480 280 D N 1.158 121.544 120.400 -0.023 0.000 2.378 280 D HA -0.024 4.617 4.640 0.001 0.000 0.227 280 D C 1.304 177.628 176.300 0.040 0.000 1.012 280 D CA 0.232 54.238 54.000 0.011 0.000 0.905 280 D CB -0.392 40.420 40.800 0.021 0.000 0.895 280 D HN 0.288 nan 8.370 nan 0.000 0.532 281 V N 0.463 120.374 119.914 -0.006 0.000 2.951 281 V HA -0.005 4.116 4.120 0.001 0.000 0.255 281 V C 1.164 177.263 176.094 0.008 0.000 1.088 281 V CA 0.220 62.483 62.300 -0.063 0.000 1.109 281 V CB -0.379 31.277 31.823 -0.278 0.000 0.724 281 V HN 0.220 nan 8.190 nan 0.000 0.471 282 I N 1.878 122.440 120.570 -0.014 0.000 2.556 282 I HA 0.201 4.371 4.170 0.001 0.000 0.284 282 I C -2.078 174.010 176.117 -0.048 0.000 1.114 282 I CA -2.522 58.725 61.300 -0.088 0.000 1.418 282 I CB -0.061 37.875 38.000 -0.108 0.000 1.394 282 I HN 0.089 nan 8.210 nan 0.000 0.552 283 P HA 0.042 nan 4.420 nan 0.000 0.270 283 P C -0.319 176.956 177.300 -0.042 0.000 1.223 283 P CA -0.060 63.020 63.100 -0.034 0.000 0.785 283 P CB 0.253 31.924 31.700 -0.050 0.000 0.923 284 T N 3.953 118.493 114.554 -0.023 0.000 2.769 284 T HA 0.209 4.559 4.350 0.001 0.000 0.293 284 T C -2.030 172.648 174.700 -0.038 0.000 0.931 284 T CA -0.670 61.415 62.100 -0.026 0.000 1.139 284 T CB -0.587 68.273 68.868 -0.013 0.000 0.881 284 T HN 0.306 nan 8.240 nan 0.000 0.532 285 P HA 0.260 nan 4.420 nan 0.000 0.272 285 P C -2.325 174.957 177.300 -0.031 0.000 1.223 285 P CA -1.328 61.740 63.100 -0.053 0.000 0.784 285 P CB -0.283 31.380 31.700 -0.063 0.000 0.923 286 P HA 0.213 nan 4.420 nan 0.000 0.272 286 P C -0.672 176.627 177.300 -0.001 0.000 1.230 286 P CA -0.300 62.793 63.100 -0.013 0.000 0.788 286 P CB 0.369 32.062 31.700 -0.012 0.000 0.949 287 A N 1.598 124.420 122.820 0.003 0.000 2.287 287 A HA 0.341 4.662 4.320 0.001 0.000 0.273 287 A C -0.078 177.516 177.584 0.017 0.000 1.091 287 A CA -0.376 51.667 52.037 0.011 0.000 0.817 287 A CB -0.303 18.701 19.000 0.006 0.000 1.069 287 A HN 0.518 nan 8.150 nan 0.000 0.492 288 L N 0.999 122.236 121.223 0.023 0.000 2.483 288 L HA 0.132 4.473 4.340 0.001 0.000 0.276 288 L C 1.157 178.035 176.870 0.014 0.000 1.213 288 L CA 0.767 55.621 54.840 0.023 0.000 0.843 288 L CB 1.239 43.310 42.059 0.021 0.000 1.107 288 L HN 0.465 nan 8.230 nan 0.000 0.487 289 V N 1.171 121.093 119.914 0.014 0.000 3.590 289 V HA 0.433 4.554 4.120 0.001 0.000 0.265 289 V C 0.810 176.907 176.094 0.005 0.000 1.239 289 V CA 0.541 62.846 62.300 0.008 0.000 1.117 289 V CB -0.413 31.413 31.823 0.005 0.000 0.818 289 V HN 0.953 nan 8.190 nan 0.000 0.451 290 G N 0.274 109.080 108.800 0.009 0.000 2.040 290 G HA2 0.547 4.507 3.960 0.001 0.000 0.195 290 G HA3 0.547 4.507 3.960 0.001 0.000 0.195 290 G C -0.868 174.052 174.900 0.033 0.000 2.245 290 G CA 0.075 45.188 45.100 0.023 0.000 0.911 290 G HN 0.565 nan 8.290 nan 0.000 0.566 291 A N 1.203 124.057 122.820 0.056 0.000 2.371 291 A HA 1.021 5.342 4.320 0.001 0.000 0.311 291 A C 0.564 178.246 177.584 0.163 0.000 1.068 291 A CA 0.048 52.128 52.037 0.072 0.000 0.744 291 A CB 1.524 20.551 19.000 0.045 0.000 1.239 291 A HN 2.430 nan 8.150 nan 0.000 0.435 292 A N 3.040 125.914 122.820 0.090 0.000 2.546 292 A HA 0.557 4.877 4.320 0.001 0.000 0.243 292 A C 0.276 177.931 177.584 0.120 0.000 1.063 292 A CA 0.539 52.612 52.037 0.061 0.000 0.757 292 A CB -0.376 18.619 19.000 -0.009 0.000 0.991 292 A HN 1.503 nan 8.150 nan 0.000 0.503 293 H N 0.560 119.635 119.070 0.008 0.000 3.037 293 H HA 0.529 5.086 4.556 0.001 0.000 0.355 293 H C -1.547 173.788 175.328 0.012 0.000 1.263 293 H CA -1.105 54.953 56.048 0.017 0.000 1.129 293 H CB 0.367 30.134 29.762 0.008 0.000 1.861 293 H HN 0.471 nan 8.280 nan 0.000 0.546 294 L N 1.431 122.698 121.223 0.074 0.000 2.453 294 L HA 0.300 4.641 4.340 0.001 0.000 0.261 294 L C -2.081 174.824 176.870 0.059 0.000 1.179 294 L CA -1.791 53.047 54.840 -0.003 0.000 0.813 294 L CB 0.504 42.619 42.059 0.094 0.000 1.110 294 L HN 0.371 nan 8.230 nan 0.000 0.466 295 P HA 0.025 nan 4.420 nan 0.000 0.270 295 P C -0.854 176.542 177.300 0.159 0.000 1.223 295 P CA -0.357 62.697 63.100 -0.078 0.000 0.785 295 P CB 0.479 31.849 31.700 -0.549 0.000 0.923 296 A N 2.109 125.034 122.820 0.175 0.000 2.566 296 A HA 0.372 4.693 4.320 0.001 0.000 0.245 296 A C 1.556 179.305 177.584 0.274 0.000 1.056 296 A CA 0.963 53.109 52.037 0.181 0.000 0.757 296 A CB -1.653 17.416 19.000 0.114 0.000 0.979 296 A HN 0.878 nan 8.150 nan 0.000 0.508 297 G N 1.138 110.059 108.800 0.203 0.000 2.195 297 G HA2 -0.229 3.732 3.960 0.001 0.000 0.246 297 G HA3 -0.229 3.732 3.960 0.001 0.000 0.246 297 G C 0.028 174.991 174.900 0.104 0.000 0.984 297 G CA 0.378 45.556 45.100 0.130 0.000 0.633 297 G HN 0.670 nan 8.290 nan 0.000 0.525 298 F N 1.689 121.650 119.950 0.019 0.000 2.380 298 F HA 0.731 5.259 4.527 0.001 0.000 0.321 298 F C 0.963 176.770 175.800 0.011 0.000 1.103 298 F CA -0.106 57.899 58.000 0.008 0.000 1.067 298 F CB 1.858 40.860 39.000 0.004 0.000 1.265 298 F HN 0.412 nan 8.300 nan 0.000 0.517 299 S N 0.781 116.582 115.700 0.168 0.000 2.685 299 S HA 0.400 4.870 4.470 0.001 0.000 0.282 299 S C 0.126 174.773 174.600 0.079 0.000 1.159 299 S CA -0.760 57.500 58.200 0.099 0.000 0.833 299 S CB 1.058 64.282 63.200 0.040 0.000 1.151 299 S HN 0.599 nan 8.310 nan 0.000 0.485 300 L N 2.154 123.411 121.223 0.056 0.000 2.261 300 L HA -0.013 4.327 4.340 0.001 0.000 0.216 300 L C 2.547 179.400 176.870 -0.029 0.000 1.114 300 L CA 2.400 57.253 54.840 0.021 0.000 0.777 300 L CB -0.735 41.359 42.059 0.058 0.000 0.910 300 L HN 0.934 nan 8.230 nan 0.000 0.440 301 S N -2.183 113.508 115.700 -0.015 0.000 2.469 301 S HA -0.148 4.323 4.470 0.001 0.000 0.238 301 S C 1.461 176.032 174.600 -0.048 0.000 0.998 301 S CA 1.091 59.271 58.200 -0.034 0.000 0.957 301 S CB -0.554 62.628 63.200 -0.030 0.000 0.764 301 S HN 0.512 nan 8.310 nan 0.000 0.514 302 D N 1.175 121.558 120.400 -0.028 0.000 2.349 302 D HA 0.153 4.794 4.640 0.001 0.000 0.224 302 D C -0.015 176.260 176.300 -0.042 0.000 1.029 302 D CA 0.218 54.217 54.000 -0.002 0.000 0.879 302 D CB 0.270 41.144 40.800 0.125 0.000 0.906 302 D HN 0.293 nan 8.370 nan 0.000 0.528 303 V N 1.899 121.723 119.914 -0.150 0.000 2.461 303 V HA 0.057 4.178 4.120 0.001 0.000 0.275 303 V C 0.612 176.560 176.094 -0.244 0.000 1.047 303 V CA -0.397 61.710 62.300 -0.322 0.000 0.955 303 V CB 1.424 32.812 31.823 -0.726 0.000 0.988 303 V HN -0.062 nan 8.190 nan 0.000 0.471 304 E N 4.823 124.895 120.200 -0.213 0.000 1.924 304 E HA 0.173 4.524 4.350 0.001 0.000 0.261 304 E C -0.347 176.162 176.600 -0.152 0.000 1.088 304 E CA -0.205 56.102 56.400 -0.154 0.000 0.909 304 E CB 0.424 30.041 29.700 -0.139 0.000 1.112 304 E HN 0.656 nan 8.360 nan 0.000 0.425 305 Q N 0.933 120.660 119.800 -0.122 0.000 2.311 305 Q HA 0.178 4.519 4.340 0.001 0.000 0.272 305 Q C 0.432 176.422 176.000 -0.016 0.000 1.012 305 Q CA 0.056 55.835 55.803 -0.040 0.000 0.891 305 Q CB 1.101 29.844 28.738 0.009 0.000 1.201 305 Q HN 0.551 nan 8.270 nan 0.000 0.391 306 A N 1.929 124.757 122.820 0.014 0.000 2.628 306 A HA 0.140 4.460 4.320 0.001 0.000 0.267 306 A C -0.155 177.438 177.584 0.015 0.000 1.159 306 A CA -0.310 51.720 52.037 -0.012 0.000 0.972 306 A CB 0.549 19.511 19.000 -0.064 0.000 1.211 306 A HN 0.717 nan 8.150 nan 0.000 0.576 307 c N 0.753 119.382 118.600 0.049 0.000 2.251 307 c HA 0.659 5.229 4.570 0.001 0.000 0.323 307 c C 1.816 175.929 174.090 0.038 0.000 1.241 307 c CA -0.003 56.354 56.329 0.047 0.000 1.601 307 c CB -0.223 42.328 42.510 0.068 0.000 2.251 307 c HN 0.646 nan 8.230 nan 0.000 0.488 308 A N 4.383 127.217 122.820 0.024 0.000 1.933 308 A HA 0.049 4.369 4.320 0.001 0.000 0.218 308 A C 2.222 179.819 177.584 0.021 0.000 1.175 308 A CA 2.055 54.103 52.037 0.019 0.000 0.628 308 A CB -0.503 18.504 19.000 0.012 0.000 0.814 308 A HN 1.338 nan 8.150 nan 0.000 0.444 309 A N -1.697 121.136 122.820 0.022 0.000 2.016 309 A HA 0.259 4.579 4.320 0.001 0.000 0.217 309 A C 0.977 178.573 177.584 0.020 0.000 1.162 309 A CA 1.513 53.562 52.037 0.019 0.000 0.662 309 A CB -0.119 18.891 19.000 0.017 0.000 0.812 309 A HN 0.347 nan 8.150 nan 0.000 0.450 310 T N 1.147 115.717 114.554 0.027 0.000 3.011 310 T HA 0.490 4.841 4.350 0.001 0.000 0.303 310 T C -3.085 171.642 174.700 0.045 0.000 0.997 310 T CA -0.971 61.144 62.100 0.025 0.000 1.007 310 T CB 2.031 70.906 68.868 0.012 0.000 1.017 310 T HN -0.066 nan 8.240 nan 0.000 0.443 311 P HA 0.224 nan 4.420 nan 0.000 0.269 311 P C -0.376 176.992 177.300 0.114 0.000 1.209 311 P CA -0.582 62.568 63.100 0.084 0.000 0.776 311 P CB 0.337 32.075 31.700 0.064 0.000 0.876 312 F N 4.871 124.825 119.950 0.007 0.000 2.572 312 F HA 0.167 4.695 4.527 0.001 0.000 0.370 312 F C -1.537 174.267 175.800 0.007 0.000 1.103 312 F CA -1.419 56.587 58.000 0.009 0.000 1.286 312 F CB -0.030 38.978 39.000 0.012 0.000 1.105 312 F HN 0.286 nan 8.300 nan 0.000 0.583 313 P HA 0.098 nan 4.420 nan 0.000 0.269 313 P C -1.405 175.912 177.300 0.028 0.000 1.209 313 P CA -0.415 62.586 63.100 -0.165 0.000 0.776 313 P CB 0.691 32.218 31.700 -0.289 0.000 0.876 314 A N 4.176 127.024 122.820 0.047 0.000 2.544 314 A HA 0.339 4.660 4.320 0.001 0.000 0.301 314 A C 0.445 178.072 177.584 0.072 0.000 1.368 314 A CA -0.314 51.775 52.037 0.086 0.000 1.045 314 A CB -1.142 17.892 19.000 0.058 0.000 1.129 314 A HN 0.465 nan 8.150 nan 0.000 0.540 315 L N 2.158 123.453 121.223 0.119 0.000 2.375 315 L HA 0.534 4.875 4.340 0.001 0.000 0.268 315 L C 1.082 178.015 176.870 0.104 0.000 1.058 315 L CA -0.745 54.157 54.840 0.102 0.000 0.803 315 L CB 1.587 43.728 42.059 0.136 0.000 1.212 315 L HN 0.718 nan 8.230 nan 0.000 0.451 316 T N -1.181 113.430 114.554 0.095 0.000 2.881 316 T HA 0.734 5.084 4.350 0.001 0.000 0.278 316 T C -0.118 174.658 174.700 0.127 0.000 0.982 316 T CA -0.805 61.352 62.100 0.094 0.000 0.989 316 T CB 1.706 70.615 68.868 0.068 0.000 1.058 316 T HN 0.675 nan 8.240 nan 0.000 0.529 317 A N 0.689 123.580 122.820 0.117 0.000 2.306 317 A HA 0.597 4.917 4.320 0.001 0.000 0.330 317 A C -0.088 177.556 177.584 0.101 0.000 1.146 317 A CA -0.787 51.336 52.037 0.143 0.000 0.827 317 A CB 0.212 19.299 19.000 0.143 0.000 1.178 317 A HN 0.859 nan 8.150 nan 0.000 0.490 318 D N 1.794 122.253 120.400 0.100 0.000 2.400 318 D HA 0.307 4.947 4.640 0.001 0.000 0.238 318 D C -1.572 174.740 176.300 0.020 0.000 1.157 318 D CA -0.364 53.624 54.000 -0.020 0.000 0.889 318 D CB 0.414 41.162 40.800 -0.088 0.000 1.199 318 D HN 0.364 nan 8.370 nan 0.000 0.436 319 P HA 0.000 nan 4.420 nan 0.000 0.216 319 P CA 0.000 63.106 63.100 0.011 0.000 0.800 319 P CB 0.000 31.698 31.700 -0.004 0.000 0.726