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 2xb6_1_D DATA FIRST_RESID 82 DATA SEQUENCE HAGTTYIFSK GGGQITYKWP PNDRPSTRAD RLAIGFSTVQ KEAVLVRVDS DATA SEQUENCE SSGLGDYLEL HIHQGKIGVK FNVGTDDIAI EESNAIINDG KYHVVRFTRS DATA SEQUENCE GGNATLQVDS WPVIERYPAX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXG DATA SEQUENCE RQLTIFNSQA TIIIGGKEQG QPFQGQLSGL YYNGLKVLNM AAENDANIAI DATA SEQUENCE VGNVRLV 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 82 H HA 0.000 nan 4.556 nan 0.000 0.296 82 H C 0.000 175.124 175.328 -0.339 0.000 0.993 82 H CA 0.000 55.625 56.048 -0.705 0.000 1.023 82 H CB 0.000 29.621 29.762 -0.236 0.000 1.292 83 A N 2.196 124.972 122.820 -0.072 0.000 2.331 83 A HA 0.769 5.089 4.320 -0.000 0.000 0.320 83 A C 0.919 178.531 177.584 0.047 0.000 1.138 83 A CA 0.304 52.331 52.037 -0.017 0.000 0.790 83 A CB 1.157 20.146 19.000 -0.018 0.000 1.206 83 A HN 1.200 nan 8.150 nan 0.000 0.470 84 G N 1.113 109.928 108.800 0.024 0.000 2.547 84 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.271 84 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.271 84 G C 0.279 175.195 174.900 0.027 0.000 1.209 84 G CA 0.064 45.183 45.100 0.030 0.000 0.959 84 G HN 1.498 nan 8.290 nan 0.000 0.563 85 T N 2.185 116.765 114.554 0.043 0.000 2.751 85 T HA 0.477 4.827 4.350 -0.000 0.000 0.279 85 T C 0.440 175.169 174.700 0.048 0.000 0.941 85 T CA 1.227 63.340 62.100 0.021 0.000 1.192 85 T CB 0.117 69.030 68.868 0.074 0.000 0.883 85 T HN 0.736 nan 8.240 nan 0.000 0.534 86 T N 3.956 118.476 114.554 -0.056 0.000 2.855 86 T HA 0.501 4.851 4.350 -0.000 0.000 0.281 86 T C -0.831 173.792 174.700 -0.127 0.000 1.007 86 T CA -0.440 61.638 62.100 -0.036 0.000 1.009 86 T CB 0.732 69.512 68.868 -0.147 0.000 0.983 86 T HN 0.416 nan 8.240 nan 0.000 0.455 87 Y N 1.518 121.882 120.300 0.106 0.000 2.393 87 Y HA 0.603 5.153 4.550 -0.000 0.000 0.341 87 Y C 0.018 176.072 175.900 0.257 0.000 0.988 87 Y CA -1.002 57.184 58.100 0.143 0.000 1.078 87 Y CB 1.456 40.035 38.460 0.199 0.000 1.203 87 Y HN 0.555 nan 8.280 nan 0.000 0.453 88 I N 3.572 124.301 120.570 0.265 0.000 2.392 88 I HA 0.477 4.647 4.170 -0.000 0.000 0.295 88 I C -1.701 174.551 176.117 0.225 0.000 0.985 88 I CA -0.649 60.816 61.300 0.276 0.000 1.221 88 I CB 0.652 38.717 38.000 0.108 0.000 1.366 88 I HN 0.437 nan 8.210 nan 0.000 0.467 89 F N 5.759 125.792 119.950 0.139 0.000 2.445 89 F HA 0.436 4.963 4.527 -0.000 0.000 0.348 89 F C 0.212 176.018 175.800 0.010 0.000 1.125 89 F CA -0.317 57.748 58.000 0.109 0.000 0.983 89 F CB 1.723 40.843 39.000 0.200 0.000 1.198 89 F HN 0.362 nan 8.300 nan 0.000 0.436 90 S N 1.714 117.484 115.700 0.116 0.000 2.745 90 S HA 0.387 4.857 4.470 -0.000 0.000 0.292 90 S C -0.319 174.309 174.600 0.047 0.000 1.133 90 S CA -1.196 57.039 58.200 0.057 0.000 0.998 90 S CB 1.169 64.385 63.200 0.027 0.000 1.087 90 S HN 0.540 nan 8.310 nan 0.000 0.551 91 K N 0.135 120.549 120.400 0.024 0.000 2.569 91 K HA 0.096 4.416 4.320 -0.000 0.000 0.280 91 K C 1.227 177.842 176.600 0.024 0.000 0.984 91 K CA 1.280 57.577 56.287 0.017 0.000 1.064 91 K CB -0.509 31.997 32.500 0.009 0.000 0.866 91 K HN 0.957 nan 8.250 nan 0.000 0.492 92 G N 2.068 110.884 108.800 0.026 0.000 2.241 92 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.244 92 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.244 92 G C 0.552 175.480 174.900 0.046 0.000 0.998 92 G CA 0.072 45.189 45.100 0.029 0.000 0.621 92 G HN 1.615 nan 8.290 nan 0.000 0.519 93 G N -1.559 107.284 108.800 0.071 0.000 2.661 93 G HA2 0.574 4.534 3.960 -0.000 0.000 0.685 93 G HA3 0.574 4.534 3.960 -0.000 0.000 0.685 93 G C 0.493 175.465 174.900 0.120 0.000 1.298 93 G CA 0.718 45.893 45.100 0.125 0.000 0.855 93 G HN 2.487 nan 8.290 nan 0.000 0.560 94 G N -1.266 107.653 108.800 0.199 0.000 2.559 94 G HA2 0.809 4.769 3.960 -0.000 0.000 0.291 94 G HA3 0.809 4.769 3.960 -0.000 0.000 0.291 94 G C -1.232 173.795 174.900 0.211 0.000 1.424 94 G CA 0.565 45.727 45.100 0.103 0.000 0.786 94 G HN 1.044 nan 8.290 nan 0.000 0.485 95 Q N -0.851 119.006 119.800 0.094 0.000 2.391 95 Q HA 0.621 4.961 4.340 -0.000 0.000 0.279 95 Q C -1.710 174.308 176.000 0.031 0.000 1.028 95 Q CA -0.713 55.168 55.803 0.129 0.000 0.836 95 Q CB 2.607 31.391 28.738 0.077 0.000 1.414 95 Q HN 0.515 nan 8.270 nan 0.000 0.397 96 I N 2.508 123.108 120.570 0.049 0.000 2.439 96 I HA 0.348 4.518 4.170 -0.000 0.000 0.283 96 I C -0.931 175.176 176.117 -0.016 0.000 1.023 96 I CA -0.505 60.773 61.300 -0.038 0.000 1.100 96 I CB 2.179 40.113 38.000 -0.109 0.000 1.238 96 I HN 0.481 nan 8.210 nan 0.000 0.445 97 T N 5.130 119.672 114.554 -0.021 0.000 2.772 97 T HA 0.296 4.646 4.350 -0.000 0.000 0.288 97 T C -0.880 173.813 174.700 -0.013 0.000 0.994 97 T CA -0.388 61.705 62.100 -0.013 0.000 0.951 97 T CB 0.780 69.636 68.868 -0.019 0.000 0.933 97 T HN 0.295 nan 8.240 nan 0.000 0.447 98 Y N 3.514 123.716 120.300 -0.162 0.000 2.353 98 Y HA 0.443 4.993 4.550 -0.001 0.000 0.340 98 Y C 0.139 175.891 175.900 -0.245 0.000 0.972 98 Y CA -0.746 57.208 58.100 -0.245 0.000 1.157 98 Y CB 0.589 38.827 38.460 -0.368 0.000 1.157 98 Y HN 0.395 nan 8.280 nan 0.000 0.495 99 K N 6.327 126.347 120.400 -0.633 0.000 2.183 99 K HA 0.134 4.454 4.320 -0.000 0.000 0.274 99 K C -0.760 175.406 176.600 -0.722 0.000 1.009 99 K CA -0.637 55.382 56.287 -0.447 0.000 0.888 99 K CB 0.831 33.195 32.500 -0.226 0.000 1.078 99 K HN 0.663 nan 8.250 nan 0.000 0.459 100 W N 4.383 125.470 121.300 -0.355 0.000 2.218 100 W HA 0.125 4.785 4.660 -0.000 0.000 0.326 100 W C -1.889 174.529 176.519 -0.168 0.000 1.276 100 W CA -1.932 55.277 57.345 -0.226 0.000 1.210 100 W CB 0.575 30.018 29.460 -0.028 0.000 1.143 100 W HN 0.358 nan 8.180 nan 0.000 0.563 101 P HA -0.037 nan 4.420 nan 0.000 0.265 101 P C -1.608 175.741 177.300 0.081 0.000 1.193 101 P CA -0.599 62.534 63.100 0.055 0.000 0.765 101 P CB 0.207 31.940 31.700 0.056 0.000 0.823 102 P HA -0.143 nan 4.420 nan 0.000 0.226 102 P C 0.436 177.748 177.300 0.019 0.000 1.146 102 P CA 1.264 64.384 63.100 0.033 0.000 0.773 102 P CB 0.083 31.793 31.700 0.017 0.000 0.772 103 N N -0.135 118.578 118.700 0.022 0.000 2.270 103 N HA 0.011 4.751 4.740 -0.000 0.000 0.198 103 N C 0.096 175.609 175.510 0.005 0.000 1.117 103 N CA 0.440 53.495 53.050 0.009 0.000 0.845 103 N CB 0.067 38.560 38.487 0.011 0.000 0.980 103 N HN 0.106 nan 8.380 nan 0.000 0.486 104 D N -0.226 120.185 120.400 0.017 0.000 2.692 104 D HA 0.111 4.751 4.640 -0.000 0.000 0.290 104 D C -0.277 175.976 176.300 -0.079 0.000 1.455 104 D CA -0.186 53.824 54.000 0.017 0.000 0.796 104 D CB 0.614 41.476 40.800 0.105 0.000 1.131 104 D HN 0.022 nan 8.370 nan 0.000 0.467 105 R N 2.292 122.697 120.500 -0.158 0.000 2.242 105 R HA 0.251 4.591 4.340 -0.000 0.000 0.334 105 R C -2.246 173.775 176.300 -0.466 0.000 1.071 105 R CA -1.116 54.750 56.100 -0.390 0.000 0.922 105 R CB 0.560 30.719 30.300 -0.234 0.000 1.023 105 R HN -0.013 nan 8.270 nan 0.000 0.458 106 P HA 0.077 nan 4.420 nan 0.000 0.275 106 P C -0.747 176.284 177.300 -0.448 0.000 1.227 106 P CA -0.236 62.571 63.100 -0.488 0.000 0.781 106 P CB 1.308 32.709 31.700 -0.499 0.000 0.906 107 S N 0.890 116.424 115.700 -0.277 0.000 2.472 107 S HA 0.664 5.133 4.470 -0.000 0.000 0.303 107 S C -0.029 174.484 174.600 -0.145 0.000 1.099 107 S CA -0.379 57.697 58.200 -0.207 0.000 1.077 107 S CB 1.135 64.265 63.200 -0.116 0.000 1.031 107 S HN 0.667 nan 8.310 nan 0.000 0.487 108 T N -0.545 113.955 114.554 -0.089 0.000 2.903 108 T HA 0.530 4.880 4.350 -0.000 0.000 0.299 108 T C 0.332 175.052 174.700 0.032 0.000 1.093 108 T CA -0.957 61.118 62.100 -0.041 0.000 1.002 108 T CB 1.923 70.755 68.868 -0.059 0.000 1.127 108 T HN 0.523 nan 8.240 nan 0.000 0.488 109 R N 0.592 121.098 120.500 0.010 0.000 2.237 109 R HA 0.582 4.922 4.340 -0.000 0.000 0.195 109 R C 0.332 176.634 176.300 0.003 0.000 0.956 109 R CA 0.321 56.432 56.100 0.018 0.000 1.029 109 R CB 0.183 30.485 30.300 0.003 0.000 0.972 109 R HN 0.852 nan 8.270 nan 0.000 0.493 110 A N 0.664 123.476 122.820 -0.014 0.000 2.449 110 A HA 0.561 4.881 4.320 -0.000 0.000 0.302 110 A C -1.805 175.755 177.584 -0.039 0.000 1.048 110 A CA -0.905 51.107 52.037 -0.042 0.000 0.708 110 A CB 1.616 20.586 19.000 -0.050 0.000 1.274 110 A HN 0.208 nan 8.150 nan 0.000 0.410 111 D N 0.297 120.670 120.400 -0.045 0.000 2.552 111 D HA 0.603 5.243 4.640 -0.000 0.000 0.239 111 D C -0.903 175.395 176.300 -0.005 0.000 1.139 111 D CA -0.398 53.601 54.000 -0.002 0.000 0.914 111 D CB 2.174 43.097 40.800 0.204 0.000 1.461 111 D HN 0.531 nan 8.370 nan 0.000 0.462 112 R N 0.925 121.462 120.500 0.061 0.000 2.510 112 R HA 0.472 4.812 4.340 -0.000 0.000 0.287 112 R C -1.999 174.512 176.300 0.351 0.000 1.084 112 R CA -0.728 55.467 56.100 0.158 0.000 0.934 112 R CB 1.325 31.730 30.300 0.175 0.000 1.201 112 R HN 0.286 nan 8.270 nan 0.000 0.431 113 L N 3.430 124.915 121.223 0.438 0.000 2.409 113 L HA 0.821 5.161 4.340 -0.000 0.000 0.272 113 L C -1.644 175.436 176.870 0.349 0.000 0.980 113 L CA -0.221 54.906 54.840 0.479 0.000 0.826 113 L CB 1.949 44.286 42.059 0.463 0.000 1.268 113 L HN 0.746 nan 8.230 nan 0.000 0.407 114 A N 5.538 128.556 122.820 0.330 0.000 2.435 114 A HA 0.910 5.230 4.320 -0.000 0.000 0.304 114 A C -1.441 176.265 177.584 0.204 0.000 1.064 114 A CA -0.483 51.685 52.037 0.219 0.000 0.727 114 A CB 1.407 20.491 19.000 0.141 0.000 1.284 114 A HN 0.817 nan 8.150 nan 0.000 0.415 115 I N 0.304 120.976 120.570 0.170 0.000 2.918 115 I HA 0.639 4.809 4.170 -0.000 0.000 0.301 115 I C 0.043 176.282 176.117 0.202 0.000 1.312 115 I CA -0.527 60.880 61.300 0.179 0.000 1.007 115 I CB 2.270 40.344 38.000 0.123 0.000 1.281 115 I HN 0.854 nan 8.210 nan 0.000 0.440 116 G N 4.701 113.640 108.800 0.232 0.000 2.356 116 G HA2 0.657 4.617 3.960 -0.000 0.000 0.322 116 G HA3 0.657 4.617 3.960 -0.000 0.000 0.322 116 G C -1.364 173.726 174.900 0.317 0.000 1.125 116 G CA -0.333 44.852 45.100 0.143 0.000 0.885 116 G HN 0.576 nan 8.290 nan 0.000 0.467 117 F N 0.310 120.256 119.950 -0.007 0.000 2.662 117 F HA 0.839 5.366 4.527 -0.000 0.000 0.312 117 F C -0.444 175.498 175.800 0.237 0.000 1.113 117 F CA -1.432 56.701 58.000 0.221 0.000 0.951 117 F CB 1.839 40.907 39.000 0.112 0.000 1.344 117 F HN 0.623 nan 8.300 nan 0.000 0.462 118 S N 0.555 116.631 115.700 0.627 0.000 2.536 118 S HA 0.815 5.285 4.470 -0.000 0.000 0.271 118 S C -1.012 173.882 174.600 0.490 0.000 1.134 118 S CA -0.403 58.068 58.200 0.452 0.000 0.897 118 S CB 1.543 64.964 63.200 0.368 0.000 1.094 118 S HN 1.338 nan 8.310 nan 0.000 0.473 119 T N -0.300 114.472 114.554 0.364 0.000 2.907 119 T HA 0.401 4.751 4.350 -0.000 0.000 0.344 119 T C 0.122 174.912 174.700 0.149 0.000 1.675 119 T CA 0.002 62.215 62.100 0.188 0.000 1.076 119 T CB 1.090 70.087 68.868 0.214 0.000 1.483 119 T HN 1.615 nan 8.240 nan 0.000 0.487 120 V N 0.772 120.722 119.914 0.059 0.000 3.660 120 V HA 0.429 4.549 4.120 -0.000 0.000 0.276 120 V C 0.815 176.929 176.094 0.033 0.000 1.317 120 V CA 0.186 62.519 62.300 0.055 0.000 1.097 120 V CB -0.676 31.166 31.823 0.033 0.000 0.863 120 V HN 0.815 nan 8.190 nan 0.000 0.438 121 Q N 1.034 120.841 119.800 0.012 0.000 2.361 121 Q HA 0.199 4.539 4.340 -0.000 0.000 0.276 121 Q C 0.676 176.681 176.000 0.009 0.000 1.022 121 Q CA 0.246 56.047 55.803 -0.004 0.000 0.898 121 Q CB 0.987 29.710 28.738 -0.025 0.000 1.246 121 Q HN 0.453 nan 8.270 nan 0.000 0.410 122 K N 1.010 121.402 120.400 -0.014 0.000 2.305 122 K HA 0.021 4.341 4.320 -0.000 0.000 0.199 122 K C -0.173 176.399 176.600 -0.047 0.000 1.047 122 K CA 0.732 56.996 56.287 -0.038 0.000 0.976 122 K CB 0.538 33.000 32.500 -0.063 0.000 0.765 122 K HN 0.452 nan 8.250 nan 0.000 0.474 123 E N 0.121 120.309 120.200 -0.020 0.000 2.274 123 E HA 0.513 4.862 4.350 -0.000 0.000 0.269 123 E C -1.399 175.216 176.600 0.025 0.000 0.891 123 E CA -0.459 55.940 56.400 -0.002 0.000 0.784 123 E CB 2.117 31.814 29.700 -0.005 0.000 1.225 123 E HN 0.121 nan 8.360 nan 0.000 0.412 124 A N 1.728 124.574 122.820 0.044 0.000 2.605 124 A HA 0.556 4.875 4.320 -0.000 0.000 0.294 124 A C -1.322 176.298 177.584 0.061 0.000 1.062 124 A CA -0.599 51.484 52.037 0.077 0.000 0.682 124 A CB 1.371 20.478 19.000 0.178 0.000 1.278 124 A HN 0.218 nan 8.150 nan 0.000 0.410 125 V N 2.668 122.611 119.914 0.048 0.000 2.394 125 V HA 0.305 4.425 4.120 -0.000 0.000 0.282 125 V C 0.527 176.580 176.094 -0.069 0.000 1.031 125 V CA -0.085 62.225 62.300 0.016 0.000 0.881 125 V CB 1.074 32.907 31.823 0.017 0.000 0.982 125 V HN 0.860 nan 8.190 nan 0.000 0.451 126 L N 5.617 126.728 121.223 -0.187 0.000 2.185 126 L HA 0.286 4.626 4.340 -0.000 0.000 0.198 126 L C 0.362 177.046 176.870 -0.310 0.000 1.079 126 L CA 1.332 55.926 54.840 -0.411 0.000 0.780 126 L CB 0.121 41.853 42.059 -0.546 0.000 0.955 126 L HN 0.453 nan 8.230 nan 0.000 0.462 127 V N -0.827 118.955 119.914 -0.221 0.000 2.841 127 V HA 0.546 4.666 4.120 -0.000 0.000 0.310 127 V C -0.736 175.286 176.094 -0.121 0.000 1.090 127 V CA -0.800 61.399 62.300 -0.167 0.000 0.930 127 V CB 2.483 34.204 31.823 -0.170 0.000 1.014 127 V HN 0.221 nan 8.190 nan 0.000 0.425 128 R N 2.286 122.737 120.500 -0.081 0.000 2.510 128 R HA 0.711 5.051 4.340 -0.000 0.000 0.287 128 R C -2.099 174.204 176.300 0.006 0.000 1.084 128 R CA -0.367 55.718 56.100 -0.025 0.000 0.934 128 R CB 2.176 32.480 30.300 0.007 0.000 1.201 128 R HN 0.550 nan 8.270 nan 0.000 0.431 129 V N 4.276 124.217 119.914 0.046 0.000 2.394 129 V HA 0.359 4.479 4.120 -0.000 0.000 0.282 129 V C -0.331 175.970 176.094 0.344 0.000 1.031 129 V CA -0.404 61.985 62.300 0.148 0.000 0.881 129 V CB 1.558 33.428 31.823 0.079 0.000 0.982 129 V HN 0.735 nan 8.190 nan 0.000 0.451 130 D N 2.451 123.033 120.400 0.303 0.000 2.362 130 D HA 0.386 5.026 4.640 -0.000 0.000 0.247 130 D C -0.034 176.432 176.300 0.277 0.000 1.050 130 D CA -0.100 54.085 54.000 0.309 0.000 0.839 130 D CB 2.364 43.274 40.800 0.184 0.000 1.283 130 D HN 0.633 nan 8.370 nan 0.000 0.477 131 S N 0.931 116.829 115.700 0.330 0.000 2.600 131 S HA 0.242 4.712 4.470 -0.000 0.000 0.265 131 S C 0.581 175.256 174.600 0.126 0.000 1.325 131 S CA -0.669 57.651 58.200 0.199 0.000 1.002 131 S CB 0.836 64.198 63.200 0.269 0.000 0.921 131 S HN 0.330 nan 8.310 nan 0.000 0.554 132 S N 1.655 117.398 115.700 0.071 0.000 2.553 132 S HA 0.063 4.533 4.470 -0.000 0.000 0.271 132 S C 0.536 175.171 174.600 0.058 0.000 1.362 132 S CA -0.354 57.880 58.200 0.056 0.000 1.010 132 S CB -0.155 63.063 63.200 0.030 0.000 0.865 132 S HN 0.794 nan 8.310 nan 0.000 0.543 133 S N 1.367 117.093 115.700 0.044 0.000 2.702 133 S HA 0.303 4.773 4.470 -0.000 0.000 0.314 133 S C 1.551 176.172 174.600 0.035 0.000 1.244 133 S CA 0.761 58.982 58.200 0.035 0.000 1.058 133 S CB -0.378 62.837 63.200 0.025 0.000 0.783 133 S HN 1.229 nan 8.310 nan 0.000 0.503 134 G N 2.394 111.215 108.800 0.035 0.000 2.336 134 G HA2 -0.224 3.735 3.960 -0.000 0.000 0.233 134 G HA3 -0.224 3.735 3.960 -0.000 0.000 0.233 134 G C -0.008 174.919 174.900 0.044 0.000 1.053 134 G CA -0.025 45.094 45.100 0.033 0.000 0.625 134 G HN 0.628 nan 8.290 nan 0.000 0.511 135 L N 1.218 122.476 121.223 0.059 0.000 2.312 135 L HA 0.617 4.957 4.340 -0.000 0.000 0.281 135 L C 1.822 178.756 176.870 0.106 0.000 1.070 135 L CA -0.150 54.738 54.840 0.079 0.000 0.805 135 L CB 1.303 43.415 42.059 0.089 0.000 1.174 135 L HN 0.150 nan 8.230 nan 0.000 0.434 136 G N 0.937 109.803 108.800 0.109 0.000 2.464 136 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.217 136 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.217 136 G C 0.349 175.381 174.900 0.219 0.000 1.138 136 G CA -0.114 45.068 45.100 0.137 0.000 0.793 136 G HN 0.622 nan 8.290 nan 0.000 0.539 137 D N 0.078 120.597 120.400 0.199 0.000 2.472 137 D HA 0.382 5.022 4.640 -0.000 0.000 0.237 137 D C -0.138 176.307 176.300 0.243 0.000 1.141 137 D CA 0.567 54.658 54.000 0.151 0.000 0.875 137 D CB 0.457 41.407 40.800 0.249 0.000 1.192 137 D HN 0.517 nan 8.370 nan 0.000 0.450 138 Y N -0.673 119.507 120.300 -0.200 0.000 2.677 138 Y HA 0.591 5.141 4.550 -0.001 0.000 0.334 138 Y C -2.252 173.473 175.900 -0.292 0.000 1.196 138 Y CA -1.514 56.506 58.100 -0.134 0.000 1.059 138 Y CB 0.946 39.400 38.460 -0.011 0.000 1.315 138 Y HN 0.265 nan 8.280 nan 0.000 0.455 139 L N 2.266 123.466 121.223 -0.038 0.000 2.470 139 L HA 0.642 4.982 4.340 -0.000 0.000 0.268 139 L C -1.572 175.302 176.870 0.008 0.000 0.964 139 L CA -0.282 54.475 54.840 -0.139 0.000 0.839 139 L CB 2.143 44.117 42.059 -0.142 0.000 1.276 139 L HN 0.881 nan 8.230 nan 0.000 0.403 140 E N 4.561 124.732 120.200 -0.048 0.000 2.265 140 E HA 0.339 4.689 4.350 -0.000 0.000 0.262 140 E C -1.906 174.510 176.600 -0.307 0.000 0.889 140 E CA -0.878 55.483 56.400 -0.065 0.000 0.789 140 E CB 1.874 31.647 29.700 0.122 0.000 1.221 140 E HN 0.641 nan 8.360 nan 0.000 0.414 141 L N 6.830 127.878 121.223 -0.292 0.000 2.265 141 L HA 0.387 4.727 4.340 -0.000 0.000 0.288 141 L C -0.860 175.858 176.870 -0.254 0.000 1.058 141 L CA 0.110 54.736 54.840 -0.357 0.000 0.809 141 L CB 0.412 42.304 42.059 -0.278 0.000 1.179 141 L HN 0.609 nan 8.230 nan 0.000 0.429 142 H N 3.572 122.546 119.070 -0.159 0.000 2.985 142 H HA 0.580 5.136 4.556 -0.001 0.000 0.360 142 H C -1.268 173.985 175.328 -0.124 0.000 1.221 142 H CA -1.330 54.639 56.048 -0.132 0.000 1.121 142 H CB 1.437 31.153 29.762 -0.077 0.000 1.854 142 H HN 0.488 nan 8.280 nan 0.000 0.551 143 I N 1.816 122.452 120.570 0.111 0.000 2.378 143 I HA 0.181 4.351 4.170 -0.000 0.000 0.291 143 I C -0.942 175.212 176.117 0.063 0.000 0.992 143 I CA -0.342 60.989 61.300 0.051 0.000 1.154 143 I CB 1.404 39.397 38.000 -0.011 0.000 1.315 143 I HN 0.597 nan 8.210 nan 0.000 0.448 144 H N 5.824 124.861 119.070 -0.055 0.000 2.782 144 H HA 0.264 4.820 4.556 -0.000 0.000 0.347 144 H C -0.797 174.495 175.328 -0.059 0.000 1.038 144 H CA -0.390 55.598 56.048 -0.099 0.000 1.255 144 H CB 1.117 30.767 29.762 -0.188 0.000 1.623 144 H HN 0.565 nan 8.280 nan 0.000 0.525 145 Q N 3.745 123.236 119.800 -0.516 0.000 2.435 145 Q HA -0.234 4.106 4.340 -0.000 0.000 0.312 145 Q C 0.901 176.810 176.000 -0.153 0.000 1.333 145 Q CA 0.971 56.572 55.803 -0.337 0.000 0.883 145 Q CB -1.731 26.788 28.738 -0.365 0.000 1.170 145 Q HN 1.283 nan 8.270 nan 0.000 0.443 146 G N -0.626 108.115 108.800 -0.098 0.000 2.155 146 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.257 146 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.257 146 G C -0.120 174.757 174.900 -0.038 0.000 0.983 146 G CA 0.688 45.763 45.100 -0.043 0.000 0.676 146 G HN 0.191 nan 8.290 nan 0.000 0.528 147 K N -0.141 120.236 120.400 -0.039 0.000 2.345 147 K HA 0.584 4.904 4.320 -0.000 0.000 0.255 147 K C -0.176 176.420 176.600 -0.007 0.000 0.934 147 K CA -0.985 55.278 56.287 -0.040 0.000 0.801 147 K CB 2.524 35.002 32.500 -0.038 0.000 1.137 147 K HN 0.236 nan 8.250 nan 0.000 0.424 148 I N 1.119 121.668 120.570 -0.034 0.000 2.519 148 I HA 0.429 4.599 4.170 -0.000 0.000 0.287 148 I C 0.244 176.353 176.117 -0.014 0.000 1.047 148 I CA 0.641 61.916 61.300 -0.041 0.000 1.381 148 I CB 1.003 38.952 38.000 -0.085 0.000 1.417 148 I HN 0.740 nan 8.210 nan 0.000 0.540 149 G N 5.182 113.969 108.800 -0.021 0.000 2.623 149 G HA2 0.580 4.540 3.960 -0.000 0.000 0.290 149 G HA3 0.580 4.540 3.960 -0.000 0.000 0.290 149 G C -2.055 172.641 174.900 -0.341 0.000 1.437 149 G CA -0.478 44.583 45.100 -0.065 0.000 0.798 149 G HN 0.469 nan 8.290 nan 0.000 0.488 150 V N 0.296 120.027 119.914 -0.305 0.000 2.604 150 V HA 0.664 4.784 4.120 -0.000 0.000 0.305 150 V C -0.215 175.696 176.094 -0.306 0.000 1.043 150 V CA -0.838 61.175 62.300 -0.479 0.000 0.888 150 V CB 1.909 33.347 31.823 -0.642 0.000 0.995 150 V HN 0.777 nan 8.190 nan 0.000 0.429 151 K N 4.324 124.529 120.400 -0.324 0.000 2.292 151 K HA 0.738 5.057 4.320 -0.000 0.000 0.257 151 K C -1.417 175.097 176.600 -0.143 0.000 0.940 151 K CA -0.464 55.754 56.287 -0.116 0.000 0.811 151 K CB 1.542 34.111 32.500 0.115 0.000 1.120 151 K HN 0.600 nan 8.250 nan 0.000 0.428 152 F N 0.684 120.397 119.950 -0.394 0.000 2.650 152 F HA 0.612 5.139 4.527 0.000 0.000 0.320 152 F C -1.235 174.126 175.800 -0.731 0.000 1.091 152 F CA -1.058 56.515 58.000 -0.713 0.000 0.962 152 F CB 1.583 40.290 39.000 -0.488 0.000 1.363 152 F HN 0.330 nan 8.300 nan 0.000 0.482 153 N N 0.777 119.023 118.700 -0.756 0.000 2.455 153 N HA 0.374 5.114 4.740 -0.000 0.000 0.285 153 N C -0.803 174.541 175.510 -0.277 0.000 1.080 153 N CA -0.408 52.361 53.050 -0.469 0.000 0.932 153 N CB 2.491 40.738 38.487 -0.400 0.000 1.610 153 N HN 0.911 nan 8.380 nan 0.000 0.493 154 V N 0.733 120.590 119.914 -0.094 0.000 3.276 154 V HA 0.631 4.751 4.120 -0.000 0.000 0.319 154 V C 0.994 177.099 176.094 0.019 0.000 1.427 154 V CA 0.723 63.003 62.300 -0.032 0.000 1.102 154 V CB 0.258 32.103 31.823 0.037 0.000 1.020 154 V HN 0.819 nan 8.190 nan 0.000 0.456 155 G N -0.151 108.649 108.800 0.001 0.000 2.813 155 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.194 155 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.194 155 G C 0.542 175.446 174.900 0.006 0.000 1.010 155 G CA 0.440 45.551 45.100 0.019 0.000 0.771 155 G HN 0.413 nan 8.290 nan 0.000 0.485 156 T N 0.793 115.341 114.554 -0.009 0.000 3.356 156 T HA 0.385 4.734 4.350 -0.000 0.000 0.220 156 T C 0.244 174.926 174.700 -0.031 0.000 0.963 156 T CA 1.177 63.268 62.100 -0.015 0.000 1.540 156 T CB 0.153 69.014 68.868 -0.013 0.000 1.320 156 T HN 0.284 nan 8.240 nan 0.000 0.448 157 D N 0.719 121.081 120.400 -0.063 0.000 2.531 157 D HA 0.357 4.997 4.640 -0.000 0.000 0.244 157 D C -1.355 174.853 176.300 -0.153 0.000 1.090 157 D CA -0.572 53.382 54.000 -0.078 0.000 0.989 157 D CB 1.037 41.796 40.800 -0.069 0.000 1.433 157 D HN 0.092 nan 8.370 nan 0.000 0.492 158 D N 0.618 120.938 120.400 -0.133 0.000 2.493 158 D HA 0.205 4.844 4.640 -0.000 0.000 0.240 158 D C -0.061 176.053 176.300 -0.310 0.000 1.142 158 D CA 0.581 54.456 54.000 -0.209 0.000 0.872 158 D CB 0.582 41.338 40.800 -0.073 0.000 1.173 158 D HN 0.198 nan 8.370 nan 0.000 0.467 159 I N 1.377 121.600 120.570 -0.578 0.000 2.465 159 I HA 0.496 4.666 4.170 -0.000 0.000 0.291 159 I C -0.136 175.662 176.117 -0.530 0.000 1.014 159 I CA -0.802 60.130 61.300 -0.613 0.000 1.093 159 I CB 1.909 39.337 38.000 -0.952 0.000 1.267 159 I HN 0.285 nan 8.210 nan 0.000 0.431 160 A N 7.237 129.914 122.820 -0.239 0.000 2.350 160 A HA 0.888 5.208 4.320 -0.000 0.000 0.324 160 A C -1.057 176.517 177.584 -0.016 0.000 1.118 160 A CA -0.552 51.425 52.037 -0.099 0.000 0.783 160 A CB 1.438 20.410 19.000 -0.047 0.000 1.236 160 A HN 0.746 nan 8.150 nan 0.000 0.457 161 I N 0.869 121.464 120.570 0.041 0.000 2.569 161 I HA 0.556 4.726 4.170 -0.000 0.000 0.290 161 I C -0.941 175.208 176.117 0.053 0.000 1.088 161 I CA -0.187 61.158 61.300 0.074 0.000 1.047 161 I CB 1.716 39.816 38.000 0.166 0.000 1.237 161 I HN 0.825 nan 8.210 nan 0.000 0.421 162 E N 5.020 125.243 120.200 0.038 0.000 2.314 162 E HA 0.265 4.615 4.350 -0.000 0.000 0.272 162 E C -1.474 175.121 176.600 -0.008 0.000 0.884 162 E CA -0.713 55.701 56.400 0.023 0.000 0.753 162 E CB 1.870 31.591 29.700 0.035 0.000 1.213 162 E HN 0.515 nan 8.360 nan 0.000 0.432 163 E N 2.100 122.275 120.200 -0.043 0.000 1.936 163 E HA 0.090 4.439 4.350 -0.000 0.000 0.267 163 E C -0.348 176.161 176.600 -0.152 0.000 1.076 163 E CA -0.132 56.198 56.400 -0.117 0.000 0.870 163 E CB 0.301 29.896 29.700 -0.176 0.000 1.093 163 E HN 0.377 nan 8.360 nan 0.000 0.411 164 S N 2.578 118.209 115.700 -0.116 0.000 2.679 164 S HA 0.223 4.693 4.470 -0.000 0.000 0.233 164 S C 0.498 175.019 174.600 -0.131 0.000 0.951 164 S CA -0.093 58.051 58.200 -0.093 0.000 0.973 164 S CB -0.126 63.052 63.200 -0.037 0.000 0.778 164 S HN 0.480 nan 8.310 nan 0.000 0.477 165 N N 0.688 119.235 118.700 -0.254 0.000 2.372 165 N HA 0.369 5.109 4.740 -0.000 0.000 0.242 165 N C 0.169 175.387 175.510 -0.486 0.000 1.124 165 N CA 0.305 53.175 53.050 -0.300 0.000 0.824 165 N CB 0.400 38.729 38.487 -0.265 0.000 1.468 165 N HN 0.404 nan 8.380 nan 0.000 0.470 166 A N 1.333 123.644 122.820 -0.847 0.000 2.438 166 A HA 0.277 4.597 4.320 -0.000 0.000 0.280 166 A C -0.244 177.111 177.584 -0.381 0.000 1.160 166 A CA -0.074 51.457 52.037 -0.844 0.000 0.821 166 A CB -0.558 17.701 19.000 -1.234 0.000 1.101 166 A HN 0.291 nan 8.150 nan 0.000 0.515 167 I N 3.815 124.269 120.570 -0.194 0.000 2.452 167 I HA 0.211 4.381 4.170 -0.000 0.000 0.287 167 I C 0.600 176.639 176.117 -0.129 0.000 1.079 167 I CA -0.338 60.901 61.300 -0.102 0.000 1.387 167 I CB 0.683 38.673 38.000 -0.018 0.000 1.404 167 I HN 0.625 nan 8.210 nan 0.000 0.522 168 I N 4.075 124.584 120.570 -0.102 0.000 4.240 168 I HA 0.341 4.511 4.170 -0.000 0.000 0.331 168 I C 0.285 176.538 176.117 0.227 0.000 1.381 168 I CA 0.139 61.356 61.300 -0.138 0.000 1.136 168 I CB -0.712 37.255 38.000 -0.056 0.000 1.137 168 I HN 0.532 nan 8.210 nan 0.000 0.411 169 N N 1.523 120.320 118.700 0.161 0.000 3.209 169 N HA 0.070 4.810 4.740 -0.000 0.000 0.309 169 N C -0.104 175.494 175.510 0.146 0.000 1.384 169 N CA -0.009 53.145 53.050 0.173 0.000 1.173 169 N CB -0.372 38.171 38.487 0.093 0.000 1.460 169 N HN 0.553 nan 8.380 nan 0.000 0.534 170 D N -2.086 118.428 120.400 0.191 0.000 2.540 170 D HA 0.169 4.809 4.640 -0.000 0.000 0.229 170 D C 1.086 177.461 176.300 0.124 0.000 1.250 170 D CA 0.030 54.117 54.000 0.145 0.000 0.817 170 D CB -0.256 40.641 40.800 0.161 0.000 1.060 170 D HN 0.312 nan 8.370 nan 0.000 0.508 171 G N 0.764 109.647 108.800 0.138 0.000 2.234 171 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.260 171 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.260 171 G C 0.317 175.265 174.900 0.081 0.000 0.987 171 G CA 0.358 45.525 45.100 0.110 0.000 0.625 171 G HN 0.429 nan 8.290 nan 0.000 0.532 172 K N -0.210 120.206 120.400 0.027 0.000 2.118 172 K HA 0.425 4.745 4.320 -0.000 0.000 0.264 172 K C 0.049 176.440 176.600 -0.348 0.000 1.000 172 K CA -0.834 55.380 56.287 -0.121 0.000 0.929 172 K CB 1.014 33.419 32.500 -0.158 0.000 1.021 172 K HN 0.177 nan 8.250 nan 0.000 0.463 173 Y N 2.933 122.950 120.300 -0.471 0.000 2.497 173 Y HA -0.033 4.517 4.550 -0.000 0.000 0.334 173 Y C -0.230 175.137 175.900 -0.890 0.000 1.199 173 Y CA 0.703 58.442 58.100 -0.602 0.000 1.425 173 Y CB 0.388 38.549 38.460 -0.498 0.000 1.291 173 Y HN 0.460 nan 8.280 nan 0.000 0.562 174 H N 3.431 121.754 119.070 -1.245 0.000 2.980 174 H HA 0.561 5.117 4.556 -0.000 0.000 0.367 174 H C -1.327 173.263 175.328 -1.230 0.000 1.206 174 H CA -0.790 54.589 56.048 -1.115 0.000 1.126 174 H CB 1.705 30.851 29.762 -1.026 0.000 1.838 174 H HN 0.470 nan 8.280 nan 0.000 0.552 175 V N 1.882 121.499 119.914 -0.494 0.000 2.604 175 V HA 0.334 4.454 4.120 -0.000 0.000 0.305 175 V C -0.246 175.849 176.094 0.001 0.000 1.043 175 V CA -0.781 61.377 62.300 -0.237 0.000 0.888 175 V CB 2.303 34.050 31.823 -0.126 0.000 0.995 175 V HN 0.437 nan 8.190 nan 0.000 0.429 176 V N 6.281 126.272 119.914 0.127 0.000 2.604 176 V HA 0.689 4.808 4.120 -0.000 0.000 0.305 176 V C -0.578 175.596 176.094 0.133 0.000 1.043 176 V CA -0.544 61.850 62.300 0.157 0.000 0.888 176 V CB 1.981 33.931 31.823 0.212 0.000 0.995 176 V HN 0.949 nan 8.190 nan 0.000 0.429 177 R N 5.582 126.155 120.500 0.122 0.000 2.476 177 R HA 0.516 4.856 4.340 -0.000 0.000 0.305 177 R C -1.634 174.762 176.300 0.160 0.000 0.965 177 R CA -0.366 55.807 56.100 0.122 0.000 0.867 177 R CB 2.308 32.644 30.300 0.059 0.000 1.176 177 R HN 0.686 nan 8.270 nan 0.000 0.447 178 F N 1.172 121.139 119.950 0.029 0.000 2.508 178 F HA 0.566 5.092 4.527 -0.001 0.000 0.325 178 F C -0.800 175.000 175.800 -0.000 0.000 1.090 178 F CA -0.300 57.702 58.000 0.004 0.000 0.945 178 F CB 2.371 41.370 39.000 -0.002 0.000 1.156 178 F HN 0.256 nan 8.300 nan 0.000 0.463 179 T N 6.021 119.971 114.554 -1.007 0.000 2.886 179 T HA 0.472 4.822 4.350 -0.000 0.000 0.292 179 T C -1.400 172.560 174.700 -1.233 0.000 1.012 179 T CA -0.682 60.940 62.100 -0.797 0.000 0.982 179 T CB 1.458 70.088 68.868 -0.396 0.000 1.018 179 T HN 0.760 nan 8.240 nan 0.000 0.451 180 R N 1.568 121.610 120.500 -0.763 0.000 2.686 180 R HA 0.697 5.037 4.340 -0.000 0.000 0.286 180 R C -1.404 174.726 176.300 -0.283 0.000 0.969 180 R CA -0.542 55.215 56.100 -0.570 0.000 0.898 180 R CB 1.591 31.580 30.300 -0.518 0.000 1.183 180 R HN 0.588 nan 8.270 nan 0.000 0.456 181 S N 2.794 118.374 115.700 -0.199 0.000 2.721 181 S HA 0.473 4.943 4.470 -0.000 0.000 0.264 181 S C 0.285 174.865 174.600 -0.033 0.000 1.161 181 S CA 0.400 58.544 58.200 -0.093 0.000 1.113 181 S CB 0.762 63.919 63.200 -0.071 0.000 1.079 181 S HN 1.092 nan 8.310 nan 0.000 0.479 182 G N 4.444 113.236 108.800 -0.012 0.000 2.651 182 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.315 182 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.315 182 G C 1.054 176.003 174.900 0.082 0.000 1.258 182 G CA 0.482 45.602 45.100 0.034 0.000 1.002 182 G HN 1.602 nan 8.290 nan 0.000 0.551 183 G N 0.446 109.317 108.800 0.119 0.000 2.572 183 G HA2 0.189 4.149 3.960 -0.000 0.000 0.216 183 G HA3 0.189 4.149 3.960 -0.000 0.000 0.216 183 G C 0.695 175.729 174.900 0.224 0.000 1.133 183 G CA 0.988 46.207 45.100 0.199 0.000 0.791 183 G HN 0.682 nan 8.290 nan 0.000 0.538 184 N N 0.803 119.569 118.700 0.109 0.000 2.513 184 N HA 0.607 5.347 4.740 -0.000 0.000 0.274 184 N C -0.240 175.224 175.510 -0.077 0.000 1.189 184 N CA 0.155 53.208 53.050 0.005 0.000 0.975 184 N CB 1.710 40.190 38.487 -0.011 0.000 1.157 184 N HN 0.221 nan 8.380 nan 0.000 0.465 185 A N 0.130 122.849 122.820 -0.168 0.000 2.594 185 A HA 0.729 5.049 4.320 -0.000 0.000 0.295 185 A C -0.793 176.626 177.584 -0.275 0.000 1.071 185 A CA -0.604 51.286 52.037 -0.245 0.000 0.685 185 A CB 1.183 20.216 19.000 0.054 0.000 1.285 185 A HN 0.475 nan 8.150 nan 0.000 0.405 186 T N 0.679 115.023 114.554 -0.350 0.000 2.908 186 T HA 0.722 5.072 4.350 -0.000 0.000 0.290 186 T C -1.250 173.377 174.700 -0.121 0.000 1.034 186 T CA -0.338 61.636 62.100 -0.209 0.000 1.010 186 T CB 1.440 70.192 68.868 -0.194 0.000 1.068 186 T HN 0.928 nan 8.240 nan 0.000 0.481 187 L N 2.658 123.881 121.223 -0.001 0.000 2.482 187 L HA 0.619 4.959 4.340 -0.000 0.000 0.263 187 L C -1.444 175.460 176.870 0.056 0.000 0.957 187 L CA -0.307 54.583 54.840 0.084 0.000 0.836 187 L CB 2.128 44.268 42.059 0.135 0.000 1.324 187 L HN 0.855 nan 8.230 nan 0.000 0.406 188 Q N 3.335 123.176 119.800 0.068 0.000 2.377 188 Q HA 0.793 5.133 4.340 -0.000 0.000 0.279 188 Q C -2.141 173.908 176.000 0.081 0.000 1.049 188 Q CA -0.943 54.905 55.803 0.075 0.000 0.825 188 Q CB 2.449 31.235 28.738 0.081 0.000 1.401 188 Q HN 0.402 nan 8.270 nan 0.000 0.404 189 V N 3.454 123.419 119.914 0.084 0.000 2.417 189 V HA 0.288 4.408 4.120 -0.000 0.000 0.291 189 V C -0.029 176.174 176.094 0.182 0.000 1.024 189 V CA -0.039 62.303 62.300 0.070 0.000 0.861 189 V CB 1.064 32.841 31.823 -0.077 0.000 0.985 189 V HN 1.042 nan 8.190 nan 0.000 0.436 190 D N 3.485 123.964 120.400 0.133 0.000 3.771 190 D HA -0.258 4.381 4.640 -0.000 0.000 0.145 190 D C 1.094 177.483 176.300 0.148 0.000 0.892 190 D CA 1.894 55.986 54.000 0.153 0.000 1.080 190 D CB -0.733 40.215 40.800 0.248 0.000 0.498 190 D HN 0.632 nan 8.370 nan 0.000 0.499 191 S N -0.420 115.371 115.700 0.151 0.000 2.601 191 S HA 0.180 4.650 4.470 -0.000 0.000 0.244 191 S C -0.257 174.379 174.600 0.060 0.000 1.001 191 S CA -0.539 57.703 58.200 0.069 0.000 0.984 191 S CB 0.049 63.245 63.200 -0.007 0.000 0.842 191 S HN 0.202 nan 8.310 nan 0.000 0.474 192 W N 2.907 124.211 121.300 0.007 0.000 2.126 192 W HA 0.324 4.984 4.660 -0.000 0.000 0.346 192 W C -2.468 174.056 176.519 0.008 0.000 1.279 192 W CA -1.756 55.593 57.345 0.007 0.000 1.259 192 W CB -0.433 29.030 29.460 0.005 0.000 1.133 192 W HN 0.023 nan 8.180 nan 0.000 0.592 193 P HA -0.020 nan 4.420 nan 0.000 0.265 193 P C -0.571 176.818 177.300 0.148 0.000 1.193 193 P CA -0.116 63.080 63.100 0.159 0.000 0.765 193 P CB 0.212 31.997 31.700 0.143 0.000 0.823 194 V N 5.289 125.260 119.914 0.095 0.000 2.509 194 V HA -0.083 4.037 4.120 -0.000 0.000 0.297 194 V C 0.911 177.040 176.094 0.059 0.000 1.014 194 V CA 0.349 62.688 62.300 0.066 0.000 1.127 194 V CB -0.629 31.216 31.823 0.037 0.000 0.925 194 V HN 0.355 nan 8.190 nan 0.000 0.480 195 I N 5.201 125.800 120.570 0.048 0.000 2.575 195 I HA 0.324 4.494 4.170 -0.000 0.000 0.285 195 I C 0.529 176.641 176.117 -0.007 0.000 1.085 195 I CA 0.011 61.330 61.300 0.031 0.000 1.403 195 I CB 0.404 38.421 38.000 0.027 0.000 1.409 195 I HN 0.707 nan 8.210 nan 0.000 0.557 196 E N 4.052 124.238 120.200 -0.024 0.000 2.288 196 E HA 0.620 4.970 4.350 -0.000 0.000 0.268 196 E C -0.839 175.656 176.600 -0.174 0.000 0.885 196 E CA -1.005 55.311 56.400 -0.141 0.000 0.767 196 E CB 2.840 32.477 29.700 -0.106 0.000 1.220 196 E HN 0.314 nan 8.360 nan 0.000 0.427 197 R N 1.925 122.229 120.500 -0.327 0.000 2.513 197 R HA 0.357 4.697 4.340 -0.000 0.000 0.301 197 R C -2.004 174.044 176.300 -0.420 0.000 0.968 197 R CA -0.461 55.511 56.100 -0.214 0.000 0.872 197 R CB 0.661 30.929 30.300 -0.053 0.000 1.177 197 R HN 0.551 nan 8.270 nan 0.000 0.444 198 Y N 5.461 125.783 120.300 0.036 0.000 2.749 198 Y HA 0.361 4.911 4.550 -0.001 0.000 0.343 198 Y C -1.755 174.157 175.900 0.021 0.000 1.015 198 Y CA -2.155 55.962 58.100 0.030 0.000 1.270 198 Y CB 1.190 39.662 38.460 0.019 0.000 1.097 198 Y HN 0.520 nan 8.280 nan 0.000 0.571 199 P HA 0.178 nan 4.420 nan 0.000 0.268 199 P C 0.039 177.383 177.300 0.074 0.000 1.205 199 P CA -0.022 63.117 63.100 0.065 0.000 0.771 199 P CB 1.165 32.875 31.700 0.017 0.000 0.858 232 R N 0.344 120.853 120.500 0.015 0.000 2.594 232 R HA 0.639 4.979 4.340 -0.000 0.000 0.272 232 R C -0.805 175.507 176.300 0.020 0.000 1.074 232 R CA -0.377 55.734 56.100 0.019 0.000 1.105 232 R CB 0.760 31.069 30.300 0.015 0.000 1.008 232 R HN 0.316 nan 8.270 nan 0.000 0.472 233 Q N 2.430 122.247 119.800 0.028 0.000 2.347 233 Q HA 0.341 4.681 4.340 -0.000 0.000 0.271 233 Q C -0.516 175.506 176.000 0.036 0.000 1.064 233 Q CA -0.824 54.998 55.803 0.033 0.000 0.800 233 Q CB 2.526 31.293 28.738 0.049 0.000 1.304 233 Q HN 0.594 nan 8.270 nan 0.000 0.438 234 L N 1.092 122.336 121.223 0.035 0.000 2.464 234 L HA 0.250 4.589 4.340 -0.000 0.000 0.264 234 L C 1.429 178.332 176.870 0.056 0.000 1.199 234 L CA 0.373 55.237 54.840 0.040 0.000 0.818 234 L CB 0.539 42.619 42.059 0.036 0.000 1.102 234 L HN 0.879 nan 8.230 nan 0.000 0.473 235 T N -2.721 111.866 114.554 0.055 0.000 2.969 235 T HA 0.264 4.613 4.350 -0.000 0.000 0.258 235 T C 0.292 175.033 174.700 0.069 0.000 0.962 235 T CA -0.204 61.931 62.100 0.058 0.000 0.903 235 T CB 0.399 69.292 68.868 0.042 0.000 1.177 235 T HN 0.082 nan 8.240 nan 0.000 0.511 236 I N 3.223 123.838 120.570 0.075 0.000 2.315 236 I HA 0.445 4.615 4.170 -0.000 0.000 0.291 236 I C -0.649 175.574 176.117 0.176 0.000 1.006 236 I CA -2.802 58.557 61.300 0.099 0.000 1.265 236 I CB 0.540 38.578 38.000 0.063 0.000 1.387 236 I HN 0.203 nan 8.210 nan 0.000 0.475 237 F N 7.293 127.244 119.950 0.002 0.000 2.405 237 F HA 0.364 4.891 4.527 0.000 0.000 0.358 237 F C 0.141 175.932 175.800 -0.015 0.000 1.151 237 F CA -1.271 56.734 58.000 0.009 0.000 1.161 237 F CB -0.429 38.581 39.000 0.017 0.000 1.245 237 F HN 0.444 nan 8.300 nan 0.000 0.545 238 N N 2.737 121.599 118.700 0.271 0.000 2.529 238 N HA 0.176 4.916 4.740 -0.000 0.000 0.278 238 N C 0.179 175.647 175.510 -0.070 0.000 1.146 238 N CA -0.051 53.027 53.050 0.047 0.000 0.980 238 N CB 0.993 39.519 38.487 0.064 0.000 1.124 238 N HN 0.527 nan 8.380 nan 0.000 0.458 239 S N 0.339 115.938 115.700 -0.169 0.000 3.572 239 S HA -0.228 4.241 4.470 -0.000 0.000 0.394 239 S C -0.567 173.880 174.600 -0.254 0.000 0.923 239 S CA 0.089 58.177 58.200 -0.187 0.000 1.291 239 S CB -1.240 61.915 63.200 -0.075 0.000 0.914 239 S HN 0.564 nan 8.310 nan 0.000 0.545 240 Q N 0.994 120.487 119.800 -0.512 0.000 2.262 240 Q HA 0.435 4.775 4.340 -0.000 0.000 0.272 240 Q C 1.125 176.944 176.000 -0.301 0.000 1.076 240 Q CA 0.572 56.024 55.803 -0.585 0.000 0.905 240 Q CB 0.844 28.971 28.738 -1.019 0.000 1.182 240 Q HN 0.627 nan 8.270 nan 0.000 0.390 241 A N 2.851 125.735 122.820 0.107 0.000 1.970 241 A HA 0.127 4.447 4.320 -0.000 0.000 0.204 241 A C 0.691 178.546 177.584 0.452 0.000 1.325 241 A CA 0.915 53.111 52.037 0.264 0.000 0.767 241 A CB 0.572 19.651 19.000 0.131 0.000 0.949 241 A HN 0.673 nan 8.150 nan 0.000 0.481 242 T N -1.909 112.873 114.554 0.381 0.000 2.912 242 T HA 0.691 5.041 4.350 -0.000 0.000 0.299 242 T C -0.904 173.931 174.700 0.225 0.000 1.052 242 T CA -0.455 61.784 62.100 0.231 0.000 0.996 242 T CB 1.316 70.248 68.868 0.107 0.000 1.070 242 T HN 0.163 nan 8.240 nan 0.000 0.465 243 I N 3.269 123.889 120.570 0.083 0.000 2.330 243 I HA 0.399 4.569 4.170 -0.000 0.000 0.286 243 I C -0.466 175.645 176.117 -0.009 0.000 1.025 243 I CA -0.863 60.436 61.300 -0.001 0.000 1.197 243 I CB 1.009 38.939 38.000 -0.117 0.000 1.358 243 I HN 0.548 nan 8.210 nan 0.000 0.467 244 I N 7.361 127.928 120.570 -0.006 0.000 2.336 244 I HA 0.387 4.557 4.170 -0.000 0.000 0.292 244 I C -0.295 175.806 176.117 -0.027 0.000 0.991 244 I CA -0.379 60.919 61.300 -0.004 0.000 1.227 244 I CB 1.397 39.404 38.000 0.012 0.000 1.366 244 I HN 0.414 nan 8.210 nan 0.000 0.466 245 I N 5.765 126.329 120.570 -0.011 0.000 2.382 245 I HA 0.544 4.714 4.170 -0.000 0.000 0.286 245 I C 0.755 176.901 176.117 0.049 0.000 1.002 245 I CA 0.024 61.302 61.300 -0.036 0.000 1.135 245 I CB 1.561 39.548 38.000 -0.022 0.000 1.288 245 I HN 0.868 nan 8.210 nan 0.000 0.448 246 G N 3.291 112.061 108.800 -0.049 0.000 3.033 246 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.208 246 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.208 246 G C 0.945 175.894 174.900 0.082 0.000 1.006 246 G CA -0.076 45.065 45.100 0.069 0.000 0.808 246 G HN 1.199 nan 8.290 nan 0.000 0.499 247 G N 0.439 109.262 108.800 0.039 0.000 2.184 247 G HA2 -0.344 3.615 3.960 -0.000 0.000 0.264 247 G HA3 -0.344 3.615 3.960 -0.000 0.000 0.264 247 G C 1.135 176.066 174.900 0.051 0.000 0.975 247 G CA 1.753 46.875 45.100 0.037 0.000 0.642 247 G HN 0.810 nan 8.290 nan 0.000 0.536 248 K N 0.041 120.485 120.400 0.073 0.000 2.009 248 K HA -0.113 4.207 4.320 -0.000 0.000 0.210 248 K C 2.241 178.859 176.600 0.031 0.000 1.049 248 K CA 1.779 58.102 56.287 0.060 0.000 0.929 248 K CB -0.219 32.322 32.500 0.069 0.000 0.714 248 K HN 0.595 nan 8.250 nan 0.000 0.440 249 E N 0.314 120.528 120.200 0.024 0.000 2.118 249 E HA -0.224 4.126 4.350 -0.000 0.000 0.195 249 E C 1.819 178.416 176.600 -0.006 0.000 0.992 249 E CA 1.181 57.585 56.400 0.007 0.000 0.804 249 E CB 0.087 29.790 29.700 0.005 0.000 0.741 249 E HN 0.239 nan 8.360 nan 0.000 0.458 250 Q N -1.004 118.791 119.800 -0.008 0.000 2.482 250 Q HA 0.087 4.427 4.340 -0.000 0.000 0.209 250 Q C 1.025 177.015 176.000 -0.018 0.000 0.961 250 Q CA 0.730 56.519 55.803 -0.024 0.000 0.945 250 Q CB 0.637 29.360 28.738 -0.026 0.000 1.012 250 Q HN 0.387 nan 8.270 nan 0.000 0.515 251 G N 0.302 109.100 108.800 -0.004 0.000 2.148 251 G HA2 -0.316 3.643 3.960 -0.000 0.000 0.254 251 G HA3 -0.316 3.643 3.960 -0.000 0.000 0.254 251 G C -0.014 174.889 174.900 0.006 0.000 0.981 251 G CA 0.123 45.223 45.100 -0.000 0.000 0.670 251 G HN 0.391 nan 8.290 nan 0.000 0.528 252 Q N 0.313 120.122 119.800 0.015 0.000 3.230 252 Q HA 0.224 4.563 4.340 -0.000 0.000 0.303 252 Q C -2.676 173.354 176.000 0.050 0.000 0.884 252 Q CA -1.701 54.116 55.803 0.023 0.000 0.859 252 Q CB 2.371 31.117 28.738 0.013 0.000 1.432 252 Q HN 0.383 nan 8.270 nan 0.000 0.403 253 P HA -0.065 nan 4.420 nan 0.000 0.268 253 P C -0.654 176.715 177.300 0.117 0.000 1.205 253 P CA 0.017 63.177 63.100 0.100 0.000 0.771 253 P CB 0.490 32.244 31.700 0.090 0.000 0.858 254 F N 2.979 122.913 119.950 -0.027 0.000 2.379 254 F HA 0.336 4.863 4.527 -0.000 0.000 0.332 254 F C -0.076 175.725 175.800 0.001 0.000 1.096 254 F CA -0.035 57.911 58.000 -0.090 0.000 1.105 254 F CB 1.247 40.081 39.000 -0.278 0.000 1.189 254 F HN 0.272 nan 8.300 nan 0.000 0.515 255 Q N 4.405 123.666 119.800 -0.898 0.000 2.274 255 Q HA 0.615 4.955 4.340 -0.000 0.000 0.268 255 Q C -0.425 175.037 176.000 -0.896 0.000 1.015 255 Q CA -0.657 54.769 55.803 -0.628 0.000 0.775 255 Q CB 2.072 30.674 28.738 -0.228 0.000 1.256 255 Q HN 1.130 nan 8.270 nan 0.000 0.442 256 G N 1.740 110.209 108.800 -0.552 0.000 2.332 256 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.265 256 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.265 256 G C -1.717 173.324 174.900 0.236 0.000 1.329 256 G CA -0.812 44.159 45.100 -0.215 0.000 0.949 256 G HN 0.408 nan 8.290 nan 0.000 0.476 257 Q N -0.773 119.316 119.800 0.481 0.000 2.387 257 Q HA 0.802 5.142 4.340 -0.000 0.000 0.273 257 Q C -0.909 175.436 176.000 0.576 0.000 1.089 257 Q CA -0.694 55.383 55.803 0.458 0.000 0.824 257 Q CB 2.635 31.429 28.738 0.093 0.000 1.367 257 Q HN 0.505 nan 8.270 nan 0.000 0.443 258 L N 1.027 122.508 121.223 0.430 0.000 2.422 258 L HA 0.743 5.083 4.340 -0.000 0.000 0.264 258 L C -0.783 176.303 176.870 0.360 0.000 0.984 258 L CA -0.630 54.436 54.840 0.376 0.000 0.819 258 L CB 2.221 44.365 42.059 0.142 0.000 1.330 258 L HN 0.783 nan 8.230 nan 0.000 0.410 259 S N -0.493 115.459 115.700 0.421 0.000 2.596 259 S HA 0.723 5.192 4.470 -0.000 0.000 0.270 259 S C 0.162 174.953 174.600 0.317 0.000 1.155 259 S CA -0.186 58.233 58.200 0.366 0.000 0.827 259 S CB 1.744 65.222 63.200 0.463 0.000 1.130 259 S HN 1.252 nan 8.310 nan 0.000 0.467 260 G N 0.134 109.085 108.800 0.250 0.000 2.338 260 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.296 260 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.296 260 G C -0.376 174.653 174.900 0.215 0.000 1.040 260 G CA 0.352 45.581 45.100 0.216 0.000 1.004 260 G HN 1.375 nan 8.290 nan 0.000 0.509 261 L N 0.813 122.154 121.223 0.198 0.000 2.281 261 L HA 0.744 5.083 4.340 -0.000 0.000 0.285 261 L C -0.239 176.762 176.870 0.219 0.000 1.074 261 L CA -1.556 53.392 54.840 0.181 0.000 0.817 261 L CB 0.547 42.673 42.059 0.111 0.000 1.168 261 L HN 0.308 nan 8.230 nan 0.000 0.434 262 Y N 5.763 126.126 120.300 0.106 0.000 2.338 262 Y HA 0.465 5.015 4.550 -0.001 0.000 0.333 262 Y C -1.923 174.084 175.900 0.178 0.000 0.968 262 Y CA -0.913 57.249 58.100 0.103 0.000 1.123 262 Y CB 1.207 39.715 38.460 0.080 0.000 1.165 262 Y HN 0.641 nan 8.280 nan 0.000 0.452 263 Y N 7.125 127.233 120.300 -0.319 0.000 2.363 263 Y HA 0.351 4.901 4.550 -0.001 0.000 0.325 263 Y C -0.335 175.347 175.900 -0.364 0.000 0.984 263 Y CA -1.470 56.514 58.100 -0.193 0.000 1.248 263 Y CB 0.516 38.951 38.460 -0.042 0.000 1.116 263 Y HN 0.859 nan 8.280 nan 0.000 0.470 264 N N 4.503 122.728 118.700 -0.790 0.000 2.699 264 N HA -0.219 4.521 4.740 -0.000 0.000 0.256 264 N C 1.076 176.253 175.510 -0.554 0.000 0.993 264 N CA 1.857 54.541 53.050 -0.610 0.000 0.759 264 N CB -1.066 37.015 38.487 -0.677 0.000 0.906 264 N HN 1.324 nan 8.380 nan 0.000 0.541 265 G N -2.475 105.721 108.800 -1.008 0.000 2.268 265 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.240 265 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.240 265 G C -0.088 174.559 174.900 -0.422 0.000 1.010 265 G CA 0.211 44.974 45.100 -0.561 0.000 0.618 265 G HN 0.351 nan 8.290 nan 0.000 0.516 266 L N 1.897 122.876 121.223 -0.407 0.000 2.385 266 L HA 0.357 4.697 4.340 -0.000 0.000 0.281 266 L C 0.943 177.667 176.870 -0.243 0.000 1.106 266 L CA 0.367 55.041 54.840 -0.277 0.000 0.856 266 L CB 0.912 42.801 42.059 -0.284 0.000 1.186 266 L HN 0.175 nan 8.230 nan 0.000 0.453 267 K N 3.420 123.747 120.400 -0.122 0.000 2.083 267 K HA 0.102 4.422 4.320 -0.000 0.000 0.246 267 K C 1.142 177.714 176.600 -0.047 0.000 1.160 267 K CA -0.236 56.044 56.287 -0.012 0.000 1.060 267 K CB 0.397 32.932 32.500 0.058 0.000 1.417 267 K HN 0.432 nan 8.250 nan 0.000 0.329 268 V N 2.322 122.185 119.914 -0.085 0.000 2.490 268 V HA -0.261 3.859 4.120 -0.000 0.000 0.250 268 V C 1.986 178.048 176.094 -0.053 0.000 1.061 268 V CA 1.552 63.759 62.300 -0.156 0.000 1.064 268 V CB -0.413 31.292 31.823 -0.196 0.000 0.670 268 V HN 0.681 nan 8.190 nan 0.000 0.461 269 L N -0.071 121.173 121.223 0.035 0.000 2.056 269 L HA -0.152 4.188 4.340 -0.000 0.000 0.207 269 L C 2.292 179.265 176.870 0.172 0.000 1.078 269 L CA 1.813 56.731 54.840 0.130 0.000 0.749 269 L CB -0.736 41.461 42.059 0.230 0.000 0.901 269 L HN 0.435 nan 8.230 nan 0.000 0.433 270 N N -0.174 118.594 118.700 0.113 0.000 2.149 270 N HA -0.206 4.533 4.740 -0.000 0.000 0.188 270 N C 1.878 177.430 175.510 0.070 0.000 1.019 270 N CA 1.164 54.269 53.050 0.092 0.000 0.857 270 N CB -0.133 38.392 38.487 0.063 0.000 0.997 270 N HN 0.330 nan 8.380 nan 0.000 0.426 271 M N 0.473 120.091 119.600 0.031 0.000 2.229 271 M HA -0.040 4.440 4.480 -0.000 0.000 0.264 271 M C 2.328 178.656 176.300 0.046 0.000 1.063 271 M CA 0.897 56.206 55.300 0.016 0.000 1.114 271 M CB -0.043 32.527 32.600 -0.050 0.000 1.387 271 M HN 0.209 nan 8.290 nan 0.000 0.420 272 A N 0.294 123.148 122.820 0.058 0.000 1.897 272 A HA 0.049 4.368 4.320 -0.000 0.000 0.215 272 A C 2.326 180.015 177.584 0.176 0.000 1.181 272 A CA 1.643 53.722 52.037 0.070 0.000 0.620 272 A CB -0.809 18.165 19.000 -0.044 0.000 0.821 272 A HN 0.464 nan 8.150 nan 0.000 0.443 273 A N -0.426 122.526 122.820 0.220 0.000 2.121 273 A HA -0.024 4.296 4.320 -0.000 0.000 0.218 273 A C 1.376 179.015 177.584 0.090 0.000 1.154 273 A CA 1.279 53.419 52.037 0.171 0.000 0.679 273 A CB -0.250 18.818 19.000 0.114 0.000 0.795 273 A HN 0.598 nan 8.150 nan 0.000 0.458 274 E N 0.343 120.587 120.200 0.074 0.000 2.736 274 E HA 0.107 4.457 4.350 -0.000 0.000 0.208 274 E C -0.641 175.985 176.600 0.042 0.000 0.996 274 E CA -0.487 55.942 56.400 0.048 0.000 1.104 274 E CB 0.043 29.766 29.700 0.039 0.000 1.111 274 E HN 0.504 nan 8.360 nan 0.000 0.455 275 N N 2.027 120.756 118.700 0.049 0.000 2.721 275 N HA -0.199 4.541 4.740 -0.000 0.000 0.249 275 N C -0.437 175.091 175.510 0.030 0.000 1.072 275 N CA 0.908 53.980 53.050 0.036 0.000 0.710 275 N CB -1.058 37.446 38.487 0.028 0.000 0.993 275 N HN 0.466 nan 8.380 nan 0.000 0.547 276 D N 0.111 120.534 120.400 0.038 0.000 2.525 276 D HA 0.111 4.751 4.640 -0.000 0.000 0.235 276 D C 1.308 177.622 176.300 0.022 0.000 1.137 276 D CA 0.796 54.821 54.000 0.041 0.000 0.868 276 D CB 0.900 41.745 40.800 0.074 0.000 1.180 276 D HN 0.341 nan 8.370 nan 0.000 0.465 277 A N 5.158 127.983 122.820 0.008 0.000 1.917 277 A HA -0.248 4.072 4.320 -0.000 0.000 0.219 277 A C 1.629 179.184 177.584 -0.047 0.000 1.182 277 A CA 1.321 53.348 52.037 -0.016 0.000 0.633 277 A CB -0.282 18.708 19.000 -0.017 0.000 0.819 277 A HN 0.749 nan 8.150 nan 0.000 0.448 278 N N -0.109 118.545 118.700 -0.078 0.000 2.515 278 N HA 0.052 4.792 4.740 -0.000 0.000 0.191 278 N C -0.161 175.239 175.510 -0.183 0.000 1.182 278 N CA 0.416 53.341 53.050 -0.208 0.000 0.879 278 N CB 0.184 38.396 38.487 -0.458 0.000 0.984 278 N HN 0.323 nan 8.380 nan 0.000 0.453 279 I N 1.396 121.937 120.570 -0.049 0.000 2.321 279 I HA 0.264 4.434 4.170 -0.000 0.000 0.291 279 I C 0.119 176.215 176.117 -0.034 0.000 0.998 279 I CA -0.956 60.335 61.300 -0.014 0.000 1.227 279 I CB 0.996 39.011 38.000 0.025 0.000 1.368 279 I HN -0.145 nan 8.210 nan 0.000 0.466 280 A N 8.310 131.105 122.820 -0.043 0.000 2.271 280 A HA 0.730 5.050 4.320 -0.000 0.000 0.317 280 A C -0.304 177.255 177.584 -0.042 0.000 1.245 280 A CA -0.501 51.514 52.037 -0.037 0.000 0.857 280 A CB 0.497 19.475 19.000 -0.036 0.000 1.175 280 A HN 0.641 nan 8.150 nan 0.000 0.512 281 I N 3.511 124.055 120.570 -0.043 0.000 2.328 281 I HA 0.375 4.545 4.170 -0.000 0.000 0.287 281 I C -0.388 175.702 176.117 -0.045 0.000 1.012 281 I CA -0.587 60.676 61.300 -0.062 0.000 1.195 281 I CB 1.348 39.309 38.000 -0.065 0.000 1.350 281 I HN 0.390 nan 8.210 nan 0.000 0.464 282 V N 6.252 126.141 119.914 -0.042 0.000 2.815 282 V HA 0.935 5.055 4.120 -0.000 0.000 0.314 282 V C 0.524 176.597 176.094 -0.033 0.000 1.064 282 V CA 0.680 62.964 62.300 -0.027 0.000 0.952 282 V CB 1.575 33.391 31.823 -0.012 0.000 1.020 282 V HN 1.026 nan 8.190 nan 0.000 0.439 283 G N 4.687 113.472 108.800 -0.025 0.000 2.553 283 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.242 283 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.242 283 G C 0.061 174.934 174.900 -0.045 0.000 1.277 283 G CA 0.310 45.398 45.100 -0.021 0.000 0.910 283 G HN 1.137 nan 8.290 nan 0.000 0.576 284 N N 0.735 119.412 118.700 -0.039 0.000 3.245 284 N HA 0.421 5.161 4.740 -0.000 0.000 0.296 284 N C -0.306 175.126 175.510 -0.129 0.000 1.254 284 N CA 0.345 53.366 53.050 -0.049 0.000 1.190 284 N CB -0.250 38.233 38.487 -0.007 0.000 1.460 284 N HN 0.703 nan 8.380 nan 0.000 0.538 285 V N 1.257 121.055 119.914 -0.194 0.000 2.588 285 V HA 0.537 4.657 4.120 -0.000 0.000 0.304 285 V C 0.102 176.123 176.094 -0.121 0.000 1.042 285 V CA -0.965 61.118 62.300 -0.362 0.000 0.877 285 V CB 2.297 33.787 31.823 -0.555 0.000 0.996 285 V HN 0.235 nan 8.190 nan 0.000 0.425 286 R N 2.721 123.198 120.500 -0.038 0.000 2.673 286 R HA 0.558 4.897 4.340 -0.000 0.000 0.281 286 R C -0.989 175.293 176.300 -0.030 0.000 0.991 286 R CA -0.949 55.156 56.100 0.008 0.000 0.896 286 R CB 1.801 32.085 30.300 -0.027 0.000 1.201 286 R HN 0.633 nan 8.270 nan 0.000 0.457 287 L N 5.913 127.036 121.223 -0.167 0.000 2.511 287 L HA 0.164 4.503 4.340 -0.000 0.000 0.239 287 L C -0.227 176.444 176.870 -0.333 0.000 1.400 287 L CA 0.412 54.920 54.840 -0.553 0.000 1.226 287 L CB -0.754 41.056 42.059 -0.415 0.000 1.475 287 L HN 0.512 nan 8.230 nan 0.000 0.428 288 V N 0.000 119.773 119.914 -0.235 0.000 2.409 288 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 288 V CA 0.000 62.217 62.300 -0.139 0.000 1.235 288 V CB 0.000 31.743 31.823 -0.133 0.000 1.184 288 V HN 0.000 nan 8.190 nan 0.000 0.556