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 1o7q_1_B DATA FIRST_RESID 82 DATA SEQUENCE KLKLSDWFNP FKRPEVVTMT KWKAPVVWEG TYNRAVLDNY YAKQKITVGL DATA SEQUENCE TVFAVGRYIE HYLEEFLTSA NKHFMVGHPV IFYIMVDDVS RMPLIELGPL DATA SEQUENCE RSFKVFKIKP EKRWQDISMM RMKTIGEHIV AHIQHEVDFL FCMDVDQVFQ DATA SEQUENCE DKFGVETLGE SVAQLQAWWY KADPNDFTYE RRKESAAYIP FGEGDFYYHA DATA SEQUENCE AIFGGTPTQV LNITQECFKG ILKDKKNDIE AQWHDESHLN KYFLLNKPTK DATA SEQUENCE ILSPEYCWDY HIGLPADIKL VKMSWQTKEY NVVRNNV 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 K HA 0.000 4.370 4.320 0.083 0.000 0.191 82 K C 0.000 176.617 176.600 0.029 0.000 0.988 82 K CA 0.000 56.348 56.287 0.102 0.000 0.838 82 K CB 0.000 32.564 32.500 0.106 0.000 1.064 83 L N 1.940 123.106 121.223 -0.096 0.000 2.540 83 L HA -0.116 4.024 4.340 -0.334 0.000 0.276 83 L C 0.200 177.036 176.870 -0.058 0.000 1.212 83 L CA 0.390 55.048 54.840 -0.304 0.000 0.893 83 L CB 0.470 42.090 42.059 -0.731 0.000 1.138 83 L HN -0.280 7.932 8.230 -0.030 0.000 0.491 84 K N 6.499 126.902 120.400 0.005 0.000 2.208 84 K HA 0.200 4.561 4.320 0.069 0.000 0.247 84 K C 0.068 176.736 176.600 0.113 0.000 0.953 84 K CA -1.147 55.177 56.287 0.062 0.000 0.837 84 K CB 2.791 35.314 32.500 0.039 0.000 1.131 84 K HN 0.229 8.819 8.250 -0.013 -0.348 0.431 85 L N 4.096 125.366 121.223 0.078 0.000 2.013 85 L HA -0.319 4.022 4.340 0.002 0.000 0.212 85 L C 0.558 177.278 176.870 -0.251 0.000 1.073 85 L CA 3.084 57.883 54.840 -0.067 0.000 0.753 85 L CB -0.841 41.178 42.059 -0.067 0.000 0.890 85 L HN 0.529 8.802 8.230 0.072 0.000 0.432 86 S N -4.635 111.009 115.700 -0.094 0.000 2.507 86 S HA -0.211 4.341 4.470 -0.118 -0.152 0.235 86 S C 0.873 175.443 174.600 -0.051 0.000 0.988 86 S CA 1.754 59.906 58.200 -0.081 0.000 0.944 86 S CB -1.013 62.178 63.200 -0.015 0.000 0.762 86 S HN -0.036 8.251 8.310 -0.039 0.000 0.526 87 D N 1.801 122.207 120.400 0.008 0.000 2.218 87 D HA -0.164 4.512 4.640 0.060 0.000 0.204 87 D C 0.478 176.878 176.300 0.166 0.000 0.976 87 D CA 2.135 56.186 54.000 0.085 0.000 0.853 87 D CB 0.206 41.070 40.800 0.106 0.000 0.939 87 D HN -0.254 7.969 8.370 0.018 0.157 0.481 88 W N -6.501 114.840 121.300 0.068 0.000 2.413 88 W HA 0.170 4.888 4.660 0.096 0.000 0.288 88 W C -1.876 174.769 176.519 0.211 0.000 0.958 88 W CA -0.982 56.432 57.345 0.115 0.000 1.333 88 W CB 1.942 31.459 29.460 0.095 0.000 1.002 88 W HN -0.664 7.405 8.180 -0.112 0.044 0.562 89 F N 4.245 123.715 119.950 -0.800 0.000 2.477 89 F HA 0.623 5.007 4.527 -0.555 -0.189 0.335 89 F C -1.357 174.205 175.800 -0.396 0.000 1.130 89 F CA -1.148 56.357 58.000 -0.825 0.000 0.948 89 F CB 1.880 39.966 39.000 -1.524 0.000 1.154 89 F HN -0.514 7.445 8.300 -0.568 0.000 0.439 90 N N 9.484 127.720 118.700 -0.773 0.000 2.626 90 N HA 0.433 4.917 4.740 -0.426 0.000 0.249 90 N C -1.237 173.789 175.510 -0.808 0.000 1.021 90 N CA -2.936 49.783 53.050 -0.551 0.000 0.886 90 N CB 0.288 38.642 38.487 -0.222 0.000 1.149 90 N HN 0.254 nan 8.380 nan 0.000 0.517 91 P HA 0.046 3.907 4.420 -0.930 0.000 0.223 91 P C 0.691 177.623 177.300 -0.613 0.000 1.151 91 P CA 1.097 63.660 63.100 -0.894 0.000 0.787 91 P CB 0.347 31.588 31.700 -0.765 0.000 0.788 92 F N -1.482 118.319 119.950 -0.249 0.000 2.546 92 F HA -0.184 4.256 4.527 -0.146 0.000 0.298 92 F C 1.404 177.105 175.800 -0.165 0.000 1.120 92 F CA 1.899 59.797 58.000 -0.170 0.000 1.456 92 F CB -0.886 38.032 39.000 -0.137 0.000 1.088 92 F HN -0.492 7.630 8.300 -0.540 -0.147 0.572 93 K N -2.761 117.593 120.400 -0.078 0.000 2.365 93 K HA -0.103 4.184 4.320 -0.056 0.000 0.199 93 K C 0.546 177.076 176.600 -0.117 0.000 1.045 93 K CA 0.781 57.013 56.287 -0.093 0.000 0.962 93 K CB 0.313 32.738 32.500 -0.125 0.000 0.759 93 K HN -0.698 7.408 8.250 -0.152 0.054 0.469 94 R N -1.941 118.461 120.500 -0.164 0.000 2.629 94 R HA 0.608 4.922 4.340 -0.184 -0.085 0.277 94 R C -1.978 174.188 176.300 -0.224 0.000 1.637 94 R CA -3.136 52.840 56.100 -0.208 0.000 1.663 94 R CB -0.615 29.529 30.300 -0.261 0.000 1.228 94 R HN -0.742 7.368 8.270 -0.192 0.044 0.632 95 P HA 0.007 4.363 4.420 -0.106 0.000 0.233 95 P C -0.232 176.991 177.300 -0.128 0.000 1.167 95 P CA 1.343 64.378 63.100 -0.108 0.000 0.770 95 P CB 0.266 31.939 31.700 -0.045 0.000 0.837 96 E N -2.525 117.569 120.200 -0.176 0.000 2.474 96 E HA 0.051 4.334 4.350 -0.112 0.000 0.195 96 E C -0.644 175.831 176.600 -0.208 0.000 1.039 96 E CA -0.295 56.008 56.400 -0.160 0.000 0.881 96 E CB -0.392 29.220 29.700 -0.147 0.000 0.970 96 E HN 0.209 8.378 8.360 -0.208 0.066 0.486 97 V N -4.129 115.594 119.914 -0.319 0.000 3.141 97 V HA 0.322 4.322 4.120 -0.199 0.000 0.312 97 V C -1.698 174.296 176.094 -0.168 0.000 1.157 97 V CA -2.566 59.508 62.300 -0.376 0.000 1.041 97 V CB 2.315 33.449 31.823 -1.149 0.000 1.071 97 V HN -0.855 7.069 8.190 -0.333 0.065 0.441 98 V N 1.509 121.475 119.914 0.086 0.000 2.470 98 V HA 0.093 4.287 4.120 0.123 0.000 0.276 98 V C 0.116 176.386 176.094 0.293 0.000 1.040 98 V CA 0.890 63.317 62.300 0.211 0.000 1.008 98 V CB 0.326 32.366 31.823 0.361 0.000 0.990 98 V HN 0.248 8.551 8.190 0.187 0.000 0.477 99 T N 3.869 118.529 114.554 0.176 0.000 2.975 99 T HA 0.173 4.795 4.350 0.454 0.000 0.257 99 T C -0.630 174.201 174.700 0.219 0.000 1.003 99 T CA 0.074 62.338 62.100 0.274 0.000 0.932 99 T CB 1.233 70.172 68.868 0.119 0.000 1.087 99 T HN 0.307 8.605 8.240 0.096 0.000 0.512 100 M N 0.975 120.626 119.600 0.084 0.000 2.433 100 M HA 0.618 5.232 4.480 -0.064 -0.173 0.290 100 M C -0.337 175.911 176.300 -0.087 0.000 1.173 100 M CA -1.723 53.562 55.300 -0.024 0.000 0.905 100 M CB 4.084 36.667 32.600 -0.028 0.000 1.692 100 M HN -0.678 7.661 8.290 0.081 0.000 0.462 101 T N 0.155 114.533 114.554 -0.292 0.000 2.824 101 T HA 0.373 4.596 4.350 -0.212 0.000 0.277 101 T C 1.123 175.599 174.700 -0.374 0.000 0.975 101 T CA -1.354 60.459 62.100 -0.478 0.000 0.966 101 T CB 1.535 69.574 68.868 -1.381 0.000 1.054 101 T HN 0.560 8.584 8.240 -0.360 0.000 0.533 102 K N -0.400 119.864 120.400 -0.226 0.000 2.209 102 K HA -0.213 4.124 4.320 0.028 0.000 0.204 102 K C 1.136 177.823 176.600 0.145 0.000 1.048 102 K CA 2.875 59.186 56.287 0.041 0.000 0.940 102 K CB -0.373 32.261 32.500 0.223 0.000 0.729 102 K HN 0.546 8.652 8.250 -0.240 0.000 0.451 103 W N -6.352 115.008 121.300 0.101 0.000 3.388 103 W HA 0.055 4.756 4.660 0.067 0.000 0.324 103 W C -0.669 175.890 176.519 0.067 0.000 1.250 103 W CA -1.826 55.566 57.345 0.079 0.000 1.809 103 W CB -0.150 29.359 29.460 0.082 0.000 1.083 103 W HN -0.979 7.086 8.180 -0.135 0.034 0.685 104 K N -5.778 114.537 120.400 -0.142 0.000 3.291 104 K HA -0.384 3.866 4.320 -0.116 0.000 0.290 104 K C -0.597 175.916 176.600 -0.145 0.000 1.235 104 K CA 0.721 56.948 56.287 -0.100 0.000 0.848 104 K CB -3.506 29.004 32.500 0.016 0.000 1.295 104 K HN -0.406 7.516 8.250 -0.230 0.190 0.497 105 A N -0.162 122.459 122.820 -0.332 0.000 2.327 105 A HA 0.336 4.586 4.320 -0.118 0.000 0.283 105 A C -2.396 175.010 177.584 -0.297 0.000 1.127 105 A CA -2.277 49.619 52.037 -0.235 0.000 0.810 105 A CB 0.919 19.826 19.000 -0.154 0.000 1.066 105 A HN -0.357 7.377 8.150 -0.614 0.047 0.492 106 P HA 0.170 4.436 4.420 -0.500 -0.146 0.275 106 P C -1.519 175.578 177.300 -0.340 0.000 1.228 106 P CA -0.872 61.874 63.100 -0.590 0.000 0.786 106 P CB 0.760 31.679 31.700 -1.302 0.000 0.927 107 V N 2.048 121.875 119.914 -0.145 0.000 2.328 107 V HA 0.334 4.567 4.120 -0.149 -0.203 0.278 107 V C 0.199 176.384 176.094 0.152 0.000 1.021 107 V CA -1.734 60.548 62.300 -0.031 0.000 0.838 107 V CB 0.100 31.969 31.823 0.077 0.000 0.999 107 V HN -0.089 7.978 8.190 -0.032 0.104 0.447 108 V N 8.555 128.467 119.914 -0.004 0.000 2.372 108 V HA 0.014 4.455 4.120 0.535 0.000 0.261 108 V C -1.057 175.138 176.094 0.168 0.000 1.055 108 V CA 0.392 62.822 62.300 0.216 0.000 0.930 108 V CB -0.435 31.415 31.823 0.045 0.000 1.031 108 V HN 0.477 8.581 8.190 -0.142 0.000 0.479 109 W N 7.648 129.155 121.300 0.345 0.000 2.627 109 W HA 0.426 5.363 4.660 0.234 -0.136 0.339 109 W C -0.479 176.214 176.519 0.290 0.000 1.058 109 W CA -1.775 55.718 57.345 0.247 0.000 1.223 109 W CB 2.862 32.388 29.460 0.110 0.000 1.389 109 W HN -0.172 8.434 8.180 0.710 0.000 0.541 110 E N 1.257 121.724 120.200 0.445 0.000 2.529 110 E HA -0.245 4.325 4.350 0.366 0.000 0.259 110 E C 1.091 177.744 176.600 0.088 0.000 0.966 110 E CA 1.565 58.122 56.400 0.261 0.000 0.937 110 E CB 0.483 30.258 29.700 0.125 0.000 0.923 110 E HN 0.316 9.293 8.360 0.398 -0.379 0.468 111 G N 6.000 114.717 108.800 -0.138 0.000 2.254 111 G HA2 -0.351 3.549 3.960 -0.101 0.000 0.225 111 G HA3 -0.351 3.479 3.960 -0.218 0.000 0.225 111 G C 0.260 175.056 174.900 -0.173 0.000 1.003 111 G CA 1.079 46.079 45.100 -0.168 0.000 0.622 111 G HN 0.584 8.676 8.290 -0.330 0.000 0.507 112 T N -2.365 112.149 114.554 -0.067 0.000 3.067 112 T HA -0.028 4.303 4.350 -0.244 -0.127 0.257 112 T C -0.725 173.975 174.700 -0.001 0.000 1.105 112 T CA 1.830 63.858 62.100 -0.121 0.000 1.104 112 T CB 1.642 70.433 68.868 -0.127 0.000 0.925 112 T HN -0.284 7.917 8.240 0.057 0.073 0.498 113 Y N 1.071 121.495 120.300 0.206 0.000 2.446 113 Y HA 0.769 5.803 4.550 0.464 -0.205 0.338 113 Y C 0.409 176.471 175.900 0.271 0.000 1.055 113 Y CA -3.046 55.287 58.100 0.387 0.000 1.101 113 Y CB 0.605 39.379 38.460 0.524 0.000 1.221 113 Y HN -0.622 7.448 8.280 -0.271 0.047 0.460 114 N N 5.666 124.654 118.700 0.481 0.000 2.817 114 N HA 0.216 5.075 4.740 0.198 0.000 0.234 114 N C 0.105 175.840 175.510 0.375 0.000 1.066 114 N CA -1.167 52.069 53.050 0.311 0.000 0.926 114 N CB -0.502 38.129 38.487 0.239 0.000 1.176 114 N HN 0.243 nan 8.380 nan 0.000 0.506 115 R N 4.212 124.960 120.500 0.414 0.000 2.115 115 R HA -0.382 4.138 4.340 0.300 0.000 0.230 115 R C 0.931 177.364 176.300 0.222 0.000 1.111 115 R CA 2.774 59.071 56.100 0.329 0.000 0.976 115 R CB 0.322 30.834 30.300 0.353 0.000 0.870 115 R HN 0.471 8.994 8.270 0.422 0.000 0.445 116 A N -1.243 121.689 122.820 0.187 0.000 1.902 116 A HA -0.203 4.202 4.320 0.142 0.000 0.217 116 A C 1.275 178.947 177.584 0.146 0.000 1.181 116 A CA 2.663 54.787 52.037 0.146 0.000 0.623 116 A CB -0.760 18.307 19.000 0.112 0.000 0.818 116 A HN -0.206 8.057 8.150 0.187 0.000 0.443 117 V N -1.986 118.020 119.914 0.155 0.000 2.287 117 V HA -0.379 3.817 4.120 0.127 0.000 0.248 117 V C 1.786 177.964 176.094 0.140 0.000 1.053 117 V CA 3.251 65.638 62.300 0.144 0.000 1.027 117 V CB -0.284 31.634 31.823 0.157 0.000 0.646 117 V HN -0.700 7.850 8.190 0.165 -0.261 0.447 118 L N -0.607 120.702 121.223 0.143 0.000 2.072 118 L HA -0.436 3.902 4.340 -0.004 0.000 0.205 118 L C 2.015 179.024 176.870 0.231 0.000 1.079 118 L CA 3.242 58.143 54.840 0.102 0.000 0.752 118 L CB -0.677 41.415 42.059 0.054 0.000 0.906 118 L HN -0.784 7.550 8.230 0.174 0.000 0.436 119 D N 0.131 120.680 120.400 0.249 0.000 2.123 119 D HA -0.358 4.571 4.640 0.482 0.000 0.196 119 D C 2.728 179.193 176.300 0.276 0.000 0.992 119 D CA 3.073 57.274 54.000 0.335 0.000 0.833 119 D CB -0.606 40.347 40.800 0.255 0.000 0.954 119 D HN 0.157 8.655 8.370 0.214 0.000 0.455 120 N N 0.555 119.365 118.700 0.184 0.000 2.084 120 N HA -0.210 4.600 4.740 0.117 0.000 0.190 120 N C 1.921 177.511 175.510 0.133 0.000 1.030 120 N CA 1.572 54.704 53.050 0.138 0.000 0.849 120 N CB -0.031 38.523 38.487 0.111 0.000 1.012 120 N HN 0.002 nan 8.380 nan 0.000 0.423 121 Y N 1.281 121.573 120.300 -0.014 0.000 2.097 121 Y HA -0.541 3.965 4.550 -0.074 0.000 0.282 121 Y C 1.936 177.774 175.900 -0.103 0.000 1.152 121 Y CA 3.406 61.433 58.100 -0.121 0.000 1.136 121 Y CB 0.440 38.723 38.460 -0.295 0.000 0.975 121 Y HN -0.532 7.881 8.280 0.222 0.000 0.498 122 Y N -4.207 116.151 120.300 0.097 0.000 2.337 122 Y HA -0.351 4.126 4.550 -0.121 0.000 0.293 122 Y C 1.986 177.923 175.900 0.062 0.000 1.123 122 Y CA 2.223 60.323 58.100 0.000 0.000 1.201 122 Y CB 0.106 38.540 38.460 -0.045 0.000 1.011 122 Y HN -0.165 8.227 8.280 0.186 0.000 0.545 123 A N -1.393 121.612 122.820 0.308 0.000 1.930 123 A HA -0.268 4.205 4.320 0.255 0.000 0.217 123 A C 2.169 179.795 177.584 0.070 0.000 1.175 123 A CA 2.594 54.751 52.037 0.199 0.000 0.627 123 A CB -0.780 18.292 19.000 0.120 0.000 0.815 123 A HN -0.130 8.222 8.150 0.337 0.000 0.443 124 K N -1.619 118.782 120.400 0.002 0.000 2.147 124 K HA -0.279 4.029 4.320 -0.020 0.000 0.205 124 K C 2.017 178.572 176.600 -0.074 0.000 1.049 124 K CA 2.255 58.512 56.287 -0.049 0.000 0.936 124 K CB -0.208 32.242 32.500 -0.084 0.000 0.722 124 K HN -0.586 7.665 8.250 0.001 0.000 0.446 125 Q N -4.136 115.599 119.800 -0.109 0.000 2.472 125 Q HA -0.012 4.279 4.340 -0.083 0.000 0.208 125 Q C -0.929 175.082 176.000 0.018 0.000 0.958 125 Q CA -0.090 55.671 55.803 -0.070 0.000 0.932 125 Q CB 0.382 29.058 28.738 -0.103 0.000 1.007 125 Q HN -0.697 7.382 8.270 -0.141 0.106 0.508 126 K N -2.814 117.617 120.400 0.052 0.000 3.653 126 K HA -0.404 3.971 4.320 0.092 0.000 0.275 126 K C -0.447 176.205 176.600 0.086 0.000 0.962 126 K CA 0.369 56.698 56.287 0.071 0.000 0.773 126 K CB -2.617 29.906 32.500 0.039 0.000 1.463 126 K HN -0.505 7.586 8.250 0.052 0.190 0.450 127 I N -4.768 115.881 120.570 0.131 0.000 2.764 127 I HA 0.398 4.807 4.170 0.090 -0.185 0.294 127 I C -0.136 176.039 176.117 0.095 0.000 1.045 127 I CA -1.082 60.286 61.300 0.112 0.000 1.340 127 I CB 1.444 39.523 38.000 0.132 0.000 1.436 127 I HN -0.708 7.604 8.210 0.169 0.000 0.567 128 T N 4.084 118.683 114.554 0.076 0.000 2.841 128 T HA 0.474 5.035 4.350 0.066 -0.172 0.283 128 T C -1.170 173.585 174.700 0.092 0.000 1.000 128 T CA -0.968 61.174 62.100 0.070 0.000 0.977 128 T CB 2.681 71.585 68.868 0.061 0.000 0.979 128 T HN -0.121 8.451 8.240 0.070 -0.289 0.446 129 V N 5.076 125.045 119.914 0.091 0.000 2.495 129 V HA 0.567 4.976 4.120 0.204 -0.166 0.298 129 V C -0.696 175.536 176.094 0.231 0.000 1.031 129 V CA -2.214 60.187 62.300 0.169 0.000 0.871 129 V CB 1.827 33.706 31.823 0.095 0.000 0.988 129 V HN 0.361 8.588 8.190 0.061 0.000 0.432 130 G N 4.858 113.843 108.800 0.307 0.000 2.434 130 G HA2 0.821 5.069 3.960 0.479 0.000 0.330 130 G HA3 0.821 5.082 3.960 0.202 -0.180 0.330 130 G C -3.109 172.039 174.900 0.413 0.000 1.155 130 G CA -2.045 43.267 45.100 0.353 0.000 0.917 130 G HN 0.509 8.979 8.290 0.301 0.000 0.493 131 L N 1.695 123.126 121.223 0.346 0.000 2.482 131 L HA 0.857 5.574 4.340 0.266 -0.218 0.269 131 L C -1.784 175.286 176.870 0.334 0.000 0.967 131 L CA -1.291 53.712 54.840 0.271 0.000 0.851 131 L CB 3.884 45.974 42.059 0.051 0.000 1.242 131 L HN 0.037 8.432 8.230 0.275 0.000 0.404 132 T N 4.897 119.601 114.554 0.250 0.000 2.882 132 T HA 0.805 5.491 4.350 0.234 -0.195 0.287 132 T C -1.598 173.145 174.700 0.071 0.000 0.992 132 T CA -1.780 60.423 62.100 0.172 0.000 1.076 132 T CB 1.491 70.417 68.868 0.097 0.000 0.961 132 T HN 0.496 8.855 8.240 0.198 0.000 0.490 133 V N 3.565 123.468 119.914 -0.018 0.000 2.851 133 V HA 0.557 4.806 4.120 -0.055 -0.162 0.307 133 V C -2.961 173.053 176.094 -0.134 0.000 1.129 133 V CA -2.109 60.122 62.300 -0.115 0.000 0.932 133 V CB 3.589 35.185 31.823 -0.379 0.000 1.024 133 V HN -0.003 8.162 8.190 -0.041 0.000 0.426 134 F N 7.573 127.427 119.950 -0.161 0.000 2.443 134 F HA 0.649 5.331 4.527 -0.066 -0.194 0.335 134 F C -1.527 174.214 175.800 -0.098 0.000 1.104 134 F CA -2.145 55.792 58.000 -0.105 0.000 1.013 134 F CB 2.725 41.660 39.000 -0.107 0.000 1.136 134 F HN 0.141 8.587 8.300 0.244 0.000 0.470 135 A N 3.882 126.764 122.820 0.102 0.000 2.446 135 A HA 0.425 4.819 4.320 0.122 0.000 0.282 135 A C -2.531 175.117 177.584 0.106 0.000 1.102 135 A CA -0.459 51.647 52.037 0.115 0.000 0.737 135 A CB 2.353 21.429 19.000 0.127 0.000 1.212 135 A HN 0.676 8.869 8.150 0.071 0.000 0.434 136 V N 4.844 124.805 119.914 0.078 0.000 2.540 136 V HA 0.538 4.898 4.120 0.084 -0.189 0.302 136 V C 1.215 177.377 176.094 0.114 0.000 1.035 136 V CA -2.039 60.303 62.300 0.071 0.000 0.873 136 V CB 2.551 34.394 31.823 0.033 0.000 0.992 136 V HN 0.121 8.327 8.190 0.026 0.000 0.428 137 G N 6.688 115.557 108.800 0.116 0.000 2.539 137 G HA2 -0.381 3.667 3.960 0.147 0.000 0.256 137 G HA3 -0.381 3.639 3.960 0.100 0.000 0.256 137 G C 1.072 176.065 174.900 0.155 0.000 1.233 137 G CA 0.358 45.537 45.100 0.131 0.000 0.936 137 G HN 0.209 8.852 8.290 0.096 -0.295 0.571 138 R N 2.279 122.864 120.500 0.141 0.000 2.241 138 R HA -0.125 4.392 4.340 0.055 -0.144 0.224 138 R C 2.320 178.637 176.300 0.028 0.000 1.101 138 R CA 1.165 57.293 56.100 0.046 0.000 0.995 138 R CB -0.315 29.940 30.300 -0.076 0.000 0.870 138 R HN 0.422 8.781 8.270 0.148 0.000 0.463 139 Y N -0.970 119.329 120.300 -0.002 0.000 2.315 139 Y HA -0.338 4.252 4.550 0.066 0.000 0.288 139 Y C 2.295 178.249 175.900 0.090 0.000 1.154 139 Y CA 2.937 61.094 58.100 0.095 0.000 1.229 139 Y CB -0.630 37.944 38.460 0.190 0.000 0.980 139 Y HN -0.905 7.633 8.280 0.503 0.044 0.540 140 I N -1.386 119.306 120.570 0.203 0.000 2.076 140 I HA -0.620 3.634 4.170 0.140 0.000 0.237 140 I C 2.106 178.271 176.117 0.079 0.000 1.059 140 I CA 4.094 65.471 61.300 0.128 0.000 1.317 140 I CB -0.397 37.659 38.000 0.094 0.000 1.037 140 I HN -0.492 7.814 8.210 0.207 0.028 0.398 141 E N -3.328 116.905 120.200 0.054 0.000 2.150 141 E HA -0.230 4.125 4.350 0.008 0.000 0.193 141 E C 1.792 178.362 176.600 -0.050 0.000 0.985 141 E CA 2.671 59.080 56.400 0.014 0.000 0.814 141 E CB -0.390 29.324 29.700 0.023 0.000 0.752 141 E HN 0.135 8.534 8.360 0.067 0.000 0.466 142 H N -3.656 115.237 119.070 -0.294 0.000 2.395 142 H HA -0.119 4.178 4.556 -0.432 0.000 0.299 142 H C 1.385 176.391 175.328 -0.536 0.000 1.070 142 H CA 3.145 58.829 56.048 -0.607 0.000 1.356 142 H CB 1.327 30.338 29.762 -1.251 0.000 1.401 142 H HN -0.377 7.877 8.280 -0.003 0.025 0.524 143 Y N -6.817 113.566 120.300 0.138 0.000 2.494 143 Y HA 0.013 4.630 4.550 0.112 0.000 0.271 143 Y C 0.294 176.268 175.900 0.122 0.000 1.113 143 Y CA 0.877 59.049 58.100 0.121 0.000 1.240 143 Y CB 1.619 40.153 38.460 0.123 0.000 1.268 143 Y HN -0.503 7.776 8.280 -0.001 0.000 0.510 144 L N 1.370 122.727 121.223 0.224 0.000 2.056 144 L HA -0.306 4.147 4.340 0.188 0.000 0.207 144 L C 0.772 177.722 176.870 0.133 0.000 1.078 144 L CA 3.021 57.959 54.840 0.164 0.000 0.749 144 L CB -0.034 42.081 42.059 0.093 0.000 0.901 144 L HN -0.520 7.819 8.230 0.182 0.000 0.433 145 E N 0.317 120.564 120.200 0.079 0.000 2.058 145 E HA -0.519 3.828 4.350 -0.004 0.000 0.194 145 E C 1.916 178.547 176.600 0.052 0.000 0.997 145 E CA 3.985 60.403 56.400 0.031 0.000 0.801 145 E CB -0.513 29.192 29.700 0.008 0.000 0.746 145 E HN 0.210 8.614 8.360 0.072 0.000 0.450 146 E N -0.782 119.480 120.200 0.104 0.000 2.077 146 E HA -0.332 4.059 4.350 0.068 0.000 0.193 146 E C 2.489 179.165 176.600 0.127 0.000 0.989 146 E CA 2.722 59.189 56.400 0.111 0.000 0.800 146 E CB -0.318 29.471 29.700 0.148 0.000 0.746 146 E HN -0.194 8.236 8.360 0.117 0.000 0.452 147 F N 1.508 121.488 119.950 0.050 0.000 2.069 147 F HA -0.325 4.250 4.527 0.080 0.000 0.298 147 F C 1.626 177.394 175.800 -0.054 0.000 1.113 147 F CA 3.728 61.748 58.000 0.032 0.000 1.214 147 F CB 0.338 39.343 39.000 0.010 0.000 0.978 147 F HN -0.360 8.137 8.300 0.329 0.000 0.474 148 L N -3.346 117.843 121.223 -0.057 0.000 2.093 148 L HA -0.369 3.617 4.340 -0.590 0.000 0.208 148 L C 1.666 178.327 176.870 -0.348 0.000 1.085 148 L CA 2.890 57.522 54.840 -0.346 0.000 0.755 148 L CB -0.311 41.578 42.059 -0.283 0.000 0.904 148 L HN -0.244 8.050 8.230 0.107 0.000 0.435 149 T N -1.740 112.705 114.554 -0.181 0.000 2.720 149 T HA -0.331 3.934 4.350 -0.142 0.000 0.268 149 T C 1.834 176.445 174.700 -0.148 0.000 1.037 149 T CA 3.971 65.990 62.100 -0.135 0.000 1.144 149 T CB 0.208 69.038 68.868 -0.063 0.000 0.864 149 T HN -0.180 7.988 8.240 -0.120 0.000 0.444 150 S N 1.667 117.296 115.700 -0.118 0.000 2.387 150 S HA -0.276 4.197 4.470 0.005 0.000 0.226 150 S C 1.626 176.092 174.600 -0.223 0.000 1.026 150 S CA 3.381 61.569 58.200 -0.021 0.000 0.972 150 S CB -0.441 62.858 63.200 0.164 0.000 0.814 150 S HN -0.585 7.660 8.310 -0.107 0.000 0.477 151 A N 2.542 125.040 122.820 -0.537 0.000 1.902 151 A HA -0.436 2.888 4.320 -1.659 0.000 0.217 151 A C 2.279 179.640 177.584 -0.373 0.000 1.181 151 A CA 2.964 54.429 52.037 -0.954 0.000 0.623 151 A CB -0.900 17.424 19.000 -1.128 0.000 0.818 151 A HN 0.014 7.853 8.150 -0.517 0.000 0.443 152 N N -0.353 118.203 118.700 -0.239 0.000 2.104 152 N HA -0.256 4.635 4.740 0.251 0.000 0.190 152 N C 2.098 177.559 175.510 -0.082 0.000 1.024 152 N CA 1.611 54.667 53.050 0.009 0.000 0.853 152 N CB -0.188 38.282 38.487 -0.028 0.000 1.008 152 N HN 0.334 nan 8.380 nan 0.000 0.424 153 K N -1.491 118.776 120.400 -0.222 0.000 2.103 153 K HA -0.218 3.949 4.320 -0.254 0.000 0.204 153 K C 1.696 178.052 176.600 -0.408 0.000 1.052 153 K CA 2.196 58.264 56.287 -0.366 0.000 0.945 153 K CB 0.347 32.515 32.500 -0.553 0.000 0.722 153 K HN -0.435 7.658 8.250 -0.242 0.012 0.443 154 H N -6.159 112.838 119.070 -0.122 0.000 3.255 154 H HA 0.219 4.774 4.556 -0.003 0.000 0.256 154 H C -1.156 174.122 175.328 -0.082 0.000 1.049 154 H CA -0.346 55.658 56.048 -0.073 0.000 1.202 154 H CB 2.717 32.476 29.762 -0.004 0.000 1.497 154 H HN -0.640 7.486 8.280 -0.257 0.000 0.503 155 F N 2.735 122.502 119.950 -0.305 0.000 2.421 155 F HA 0.299 4.892 4.527 -0.151 -0.157 0.358 155 F C -0.888 174.887 175.800 -0.041 0.000 1.115 155 F CA -0.807 57.036 58.000 -0.261 0.000 1.160 155 F CB 1.063 39.761 39.000 -0.504 0.000 1.123 155 F HN -0.288 7.945 8.300 -0.112 0.000 0.508 156 M N 3.529 122.882 119.600 -0.412 0.000 2.302 156 M HA -0.380 3.957 4.480 -0.239 0.000 0.200 156 M C -1.552 174.724 176.300 -0.039 0.000 0.366 156 M CA 0.305 55.411 55.300 -0.322 0.000 0.440 156 M CB -3.051 29.195 32.600 -0.590 0.000 1.475 156 M HN 0.529 8.628 8.290 -0.319 0.000 0.905 157 V N -0.146 119.771 119.914 0.006 0.000 2.617 157 V HA -0.319 3.797 4.120 -0.006 0.000 0.304 157 V C 0.936 177.033 176.094 0.005 0.000 1.040 157 V CA 1.867 64.175 62.300 0.013 0.000 1.149 157 V CB -0.489 31.346 31.823 0.020 0.000 0.914 157 V HN 0.085 8.278 8.190 0.005 0.000 0.487 158 G N 7.048 115.794 108.800 -0.090 0.000 2.176 158 G HA2 -0.259 3.517 3.960 -0.307 0.000 0.232 158 G HA3 -0.259 3.581 3.960 -0.199 0.000 0.232 158 G C -0.570 174.000 174.900 -0.551 0.000 0.986 158 G CA -0.019 44.919 45.100 -0.270 0.000 0.643 158 G HN 0.512 8.760 8.290 -0.069 0.000 0.522 159 H N 0.164 119.207 119.070 -0.045 0.000 2.768 159 H HA 0.474 5.015 4.556 -0.024 0.000 0.371 159 H C -2.778 172.515 175.328 -0.059 0.000 1.151 159 H CA -2.509 53.512 56.048 -0.046 0.000 1.165 159 H CB 2.143 31.866 29.762 -0.066 0.000 1.722 159 H HN -0.507 7.688 8.280 -0.038 0.062 0.543 160 P HA 0.044 4.639 4.420 -0.028 -0.192 0.264 160 P C -1.111 176.178 177.300 -0.018 0.000 1.193 160 P CA 0.142 63.243 63.100 0.001 0.000 0.763 160 P CB 0.361 32.067 31.700 0.010 0.000 0.810 161 V N -1.980 117.872 119.914 -0.104 0.000 2.789 161 V HA 1.060 5.371 4.120 -0.075 -0.236 0.311 161 V C -1.954 173.935 176.094 -0.342 0.000 1.073 161 V CA -3.040 59.151 62.300 -0.182 0.000 0.921 161 V CB 4.077 35.782 31.823 -0.197 0.000 1.009 161 V HN 0.387 8.501 8.190 -0.126 0.000 0.426 162 I N 2.991 123.353 120.570 -0.346 0.000 2.418 162 I HA 0.398 4.497 4.170 -0.431 -0.187 0.287 162 I C -1.175 174.600 176.117 -0.570 0.000 1.008 162 I CA -1.246 59.773 61.300 -0.468 0.000 1.104 162 I CB 2.445 40.185 38.000 -0.433 0.000 1.264 162 I HN -0.150 7.929 8.210 -0.219 0.000 0.438 163 F N 5.606 125.429 119.950 -0.212 0.000 2.411 163 F HA 0.275 4.876 4.527 -0.128 -0.151 0.350 163 F C -0.538 175.167 175.800 -0.159 0.000 1.114 163 F CA -1.721 56.195 58.000 -0.141 0.000 1.135 163 F CB 1.472 40.454 39.000 -0.031 0.000 1.120 163 F HN 0.187 8.292 8.300 -0.325 0.000 0.495 164 Y N 2.694 123.177 120.300 0.306 0.000 2.417 164 Y HA 0.349 5.226 4.550 0.288 -0.154 0.336 164 Y C -0.829 175.137 175.900 0.109 0.000 0.961 164 Y CA -1.652 56.591 58.100 0.239 0.000 1.215 164 Y CB 0.519 39.105 38.460 0.211 0.000 1.120 164 Y HN 0.556 8.994 8.280 0.263 0.000 0.499 165 I N 4.104 124.816 120.570 0.237 0.000 2.339 165 I HA 0.349 4.678 4.170 -0.009 -0.164 0.290 165 I C -1.266 174.850 176.117 -0.001 0.000 0.994 165 I CA -0.828 60.512 61.300 0.066 0.000 1.191 165 I CB 2.148 40.198 38.000 0.083 0.000 1.343 165 I HN 0.401 8.787 8.210 0.293 0.000 0.458 166 M N 9.076 128.539 119.600 -0.229 0.000 2.072 166 M HA 0.623 5.213 4.480 -0.112 -0.177 0.331 166 M C -1.704 174.515 176.300 -0.135 0.000 1.004 166 M CA -1.512 53.607 55.300 -0.302 0.000 0.952 166 M CB 1.098 33.135 32.600 -0.939 0.000 1.511 166 M HN 0.289 8.391 8.290 -0.313 0.000 0.422 167 V N -1.315 118.593 119.914 -0.011 0.000 3.040 167 V HA 0.939 5.303 4.120 0.045 -0.217 0.312 167 V C -0.269 175.860 176.094 0.058 0.000 1.115 167 V CA -3.764 58.557 62.300 0.037 0.000 0.998 167 V CB 3.810 35.659 31.823 0.042 0.000 1.042 167 V HN 0.345 8.544 8.190 0.015 0.000 0.433 168 D N -0.645 119.795 120.400 0.066 0.000 2.323 168 D HA 0.031 4.917 4.640 0.065 -0.206 0.209 168 D C -0.774 175.559 176.300 0.055 0.000 0.973 168 D CA 1.516 55.553 54.000 0.063 0.000 0.874 168 D CB 0.785 41.622 40.800 0.062 0.000 0.930 168 D HN 0.186 8.597 8.370 0.069 0.000 0.521 169 D N -1.673 118.759 120.400 0.052 0.000 2.386 169 D HA 0.192 4.857 4.640 0.043 0.000 0.247 169 D C 0.142 176.467 176.300 0.043 0.000 1.336 169 D CA -0.758 53.269 54.000 0.045 0.000 0.976 169 D CB 1.906 42.732 40.800 0.043 0.000 1.257 169 D HN -0.515 7.848 8.370 0.055 0.040 0.570 170 V N 5.282 125.219 119.914 0.039 0.000 2.809 170 V HA -0.218 3.927 4.120 0.042 0.000 0.256 170 V C 1.326 177.440 176.094 0.035 0.000 1.080 170 V CA 1.934 64.256 62.300 0.037 0.000 1.102 170 V CB -0.230 31.611 31.823 0.030 0.000 0.705 170 V HN 0.511 8.725 8.190 0.039 0.000 0.475 171 S N 0.470 116.188 115.700 0.031 0.000 2.507 171 S HA -0.157 4.328 4.470 0.026 0.000 0.235 171 S C 0.975 175.592 174.600 0.028 0.000 0.988 171 S CA 2.567 60.783 58.200 0.027 0.000 0.944 171 S CB -0.521 62.693 63.200 0.023 0.000 0.762 171 S HN -0.243 8.248 8.310 0.030 -0.163 0.526 172 R N -0.487 120.033 120.500 0.032 0.000 2.334 172 R HA 0.108 4.464 4.340 0.027 0.000 0.216 172 R C -0.762 175.557 176.300 0.031 0.000 0.905 172 R CA -0.592 55.527 56.100 0.032 0.000 1.064 172 R CB 0.408 30.730 30.300 0.038 0.000 1.046 172 R HN -0.725 7.389 8.270 0.035 0.177 0.508 173 M N 2.831 122.452 119.600 0.034 0.000 2.268 173 M HA 0.089 4.585 4.480 0.027 0.000 0.349 173 M C -2.227 174.083 176.300 0.017 0.000 1.485 173 M CA -1.898 53.420 55.300 0.031 0.000 1.094 173 M CB 1.048 33.679 32.600 0.051 0.000 1.843 173 M HN -0.924 7.219 8.290 0.037 0.169 0.460 174 P HA 0.107 4.522 4.420 -0.008 0.000 0.275 174 P C -1.656 175.613 177.300 -0.052 0.000 1.276 174 P CA -0.579 62.508 63.100 -0.021 0.000 0.782 174 P CB -0.140 31.545 31.700 -0.025 0.000 0.851 175 L N 6.116 127.326 121.223 -0.020 0.000 2.583 175 L HA 0.073 4.385 4.340 -0.047 0.000 0.239 175 L C 0.327 177.181 176.870 -0.027 0.000 1.347 175 L CA -0.854 53.984 54.840 -0.003 0.000 1.246 175 L CB -1.965 40.146 42.059 0.086 0.000 1.496 175 L HN 0.214 8.444 8.230 0.001 0.000 0.413 176 I N -1.747 118.769 120.570 -0.090 0.000 3.112 176 I HA -0.093 4.051 4.170 -0.043 0.000 0.284 176 I C -0.392 175.700 176.117 -0.042 0.000 1.227 176 I CA -0.145 61.113 61.300 -0.071 0.000 1.369 176 I CB 0.674 38.611 38.000 -0.104 0.000 1.376 176 I HN -0.759 7.310 8.210 -0.137 0.058 0.608 177 E N 2.190 122.378 120.200 -0.020 0.000 2.316 177 E HA 0.011 4.378 4.350 0.028 0.000 0.275 177 E C -1.008 175.593 176.600 0.002 0.000 1.029 177 E CA -0.410 55.994 56.400 0.006 0.000 0.871 177 E CB 0.430 30.134 29.700 0.006 0.000 1.022 177 E HN 0.038 8.384 8.360 -0.023 0.000 0.418 178 L N 4.900 126.146 121.223 0.038 0.000 2.344 178 L HA 0.096 4.570 4.340 0.044 -0.107 0.272 178 L C 0.018 176.912 176.870 0.041 0.000 1.035 178 L CA -1.006 53.868 54.840 0.058 0.000 0.807 178 L CB 1.780 43.914 42.059 0.125 0.000 1.237 178 L HN 0.099 8.364 8.230 0.059 0.000 0.442 179 G N 0.629 109.448 108.800 0.032 0.000 2.568 179 G HA2 0.462 4.422 3.960 0.000 0.000 0.293 179 G HA3 0.462 4.426 3.960 0.007 0.000 0.293 179 G C -2.699 172.205 174.900 0.006 0.000 1.347 179 G CA -1.950 43.156 45.100 0.011 0.000 1.039 179 G HN 0.310 8.989 8.290 0.043 -0.364 0.523 180 P HA -0.119 4.295 4.420 -0.011 0.000 0.262 180 P C -0.834 176.452 177.300 -0.023 0.000 1.182 180 P CA 1.308 64.399 63.100 -0.015 0.000 0.761 180 P CB 0.413 32.101 31.700 -0.020 0.000 0.795 181 L N -4.180 117.027 121.223 -0.028 0.000 4.759 181 L HA -0.451 3.867 4.340 -0.038 0.000 0.419 181 L C -0.935 175.895 176.870 -0.067 0.000 1.093 181 L CA 0.963 55.778 54.840 -0.042 0.000 1.037 181 L CB -1.559 40.473 42.059 -0.046 0.000 2.095 181 L HN 0.340 8.556 8.230 -0.022 0.000 0.739 182 R N -2.552 117.914 120.500 -0.058 0.000 2.589 182 R HA 0.596 4.952 4.340 -0.231 -0.154 0.293 182 R C -0.772 175.504 176.300 -0.040 0.000 0.963 182 R CA -1.323 54.710 56.100 -0.111 0.000 0.905 182 R CB 2.220 32.514 30.300 -0.010 0.000 1.144 182 R HN -0.792 7.391 8.270 -0.028 0.070 0.459 183 S N 1.166 116.819 115.700 -0.079 0.000 2.656 183 S HA 0.352 4.931 4.470 0.181 0.000 0.273 183 S C -2.422 172.280 174.600 0.169 0.000 1.168 183 S CA -1.054 57.185 58.200 0.065 0.000 0.817 183 S CB 3.095 66.283 63.200 -0.021 0.000 1.146 183 S HN 0.237 8.411 8.310 -0.226 0.000 0.475 184 F N -5.593 114.323 119.950 -0.056 0.000 2.715 184 F HA 0.992 5.564 4.527 -0.107 -0.109 0.318 184 F C -2.172 173.584 175.800 -0.073 0.000 1.141 184 F CA -1.365 56.610 58.000 -0.041 0.000 0.950 184 F CB 3.969 43.022 39.000 0.088 0.000 1.374 184 F HN 0.038 8.391 8.300 0.088 0.000 0.477 185 K N -2.706 117.702 120.400 0.014 0.000 2.556 185 K HA 0.365 4.385 4.320 -0.500 0.000 0.274 185 K C -2.966 173.579 176.600 -0.090 0.000 0.966 185 K CA -1.116 55.024 56.287 -0.245 0.000 0.865 185 K CB 3.296 35.598 32.500 -0.330 0.000 1.444 185 K HN 0.441 8.816 8.250 0.208 0.000 0.433 186 V N 0.026 119.747 119.914 -0.321 0.000 2.656 186 V HA 0.825 5.110 4.120 -0.030 -0.183 0.307 186 V C -0.699 175.107 176.094 -0.480 0.000 1.051 186 V CA -1.323 60.864 62.300 -0.189 0.000 0.893 186 V CB 2.052 33.887 31.823 0.021 0.000 0.999 186 V HN 0.250 8.172 8.190 -0.448 0.000 0.426 187 F N 5.275 125.236 119.950 0.017 0.000 2.540 187 F HA 0.293 4.840 4.527 0.033 0.000 0.317 187 F C -1.438 174.361 175.800 -0.001 0.000 1.104 187 F CA -1.429 56.580 58.000 0.015 0.000 0.913 187 F CB 4.121 43.135 39.000 0.024 0.000 1.170 187 F HN 0.716 9.077 8.300 0.102 0.000 0.450 188 K N 5.313 125.831 120.400 0.197 0.000 2.297 188 K HA 0.548 5.136 4.320 0.099 -0.209 0.286 188 K C -0.588 176.090 176.600 0.129 0.000 1.053 188 K CA -0.440 55.921 56.287 0.125 0.000 0.940 188 K CB 0.731 33.284 32.500 0.089 0.000 1.019 188 K HN 0.254 8.627 8.250 0.206 0.000 0.475 189 I N 0.329 120.958 120.570 0.099 0.000 2.797 189 I HA 0.353 4.581 4.170 0.097 0.000 0.307 189 I C -1.814 174.349 176.117 0.076 0.000 1.033 189 I CA -2.294 59.063 61.300 0.095 0.000 1.071 189 I CB 3.271 41.338 38.000 0.111 0.000 1.255 189 I HN 0.440 8.703 8.210 0.088 0.000 0.445 190 K N 2.958 123.397 120.400 0.064 0.000 2.412 190 K HA 0.114 4.462 4.320 0.046 0.000 0.281 190 K C -1.660 174.970 176.600 0.050 0.000 1.027 190 K CA -1.095 55.221 56.287 0.049 0.000 0.989 190 K CB 0.302 32.823 32.500 0.035 0.000 0.935 190 K HN 0.286 8.575 8.250 0.064 0.000 0.475 191 P HA 0.070 4.516 4.420 0.044 0.000 0.287 191 P C -0.965 176.349 177.300 0.023 0.000 1.307 191 P CA -0.508 62.615 63.100 0.039 0.000 0.777 191 P CB 0.502 32.227 31.700 0.042 0.000 0.883 192 E N 4.577 124.783 120.200 0.011 0.000 2.404 192 E HA -0.049 4.299 4.350 -0.003 0.000 0.261 192 E C 0.532 177.127 176.600 -0.007 0.000 1.074 192 E CA -0.276 56.120 56.400 -0.006 0.000 0.917 192 E CB 0.387 30.071 29.700 -0.028 0.000 0.965 192 E HN 0.379 8.746 8.360 0.012 0.000 0.433 193 K N 0.868 121.258 120.400 -0.017 0.000 2.103 193 K HA -0.148 4.175 4.320 0.005 0.000 0.204 193 K C 0.362 176.949 176.600 -0.022 0.000 1.052 193 K CA 1.780 58.060 56.287 -0.011 0.000 0.945 193 K CB 0.356 32.846 32.500 -0.017 0.000 0.722 193 K HN 0.325 8.561 8.250 -0.024 0.000 0.443 194 R N -1.926 118.530 120.500 -0.074 0.000 2.407 194 R HA 0.136 4.591 4.340 -0.106 -0.178 0.303 194 R C 1.268 177.470 176.300 -0.163 0.000 0.981 194 R CA -1.658 54.350 56.100 -0.152 0.000 0.905 194 R CB 1.041 31.182 30.300 -0.265 0.000 1.099 194 R HN -0.574 7.647 8.270 -0.083 0.000 0.459 195 W N 4.770 126.005 121.300 -0.109 0.000 2.350 195 W HA -0.391 4.186 4.660 -0.140 0.000 0.289 195 W C 0.215 176.608 176.519 -0.210 0.000 1.215 195 W CA 3.197 60.454 57.345 -0.146 0.000 1.236 195 W CB -0.837 28.549 29.460 -0.123 0.000 1.130 195 W HN 0.399 8.850 8.180 -0.020 -0.283 0.541 196 Q N -0.658 118.486 119.800 -1.094 0.000 2.096 196 Q HA -0.357 3.224 4.340 -1.266 0.000 0.204 196 Q C 2.171 177.892 176.000 -0.466 0.000 0.982 196 Q CA 4.273 59.401 55.803 -1.125 0.000 0.850 196 Q CB -0.933 27.032 28.738 -1.289 0.000 0.901 196 Q HN 0.228 7.606 8.270 -1.449 0.023 0.422 197 D N -0.040 120.165 120.400 -0.326 0.000 2.234 197 D HA -0.123 4.434 4.640 -0.139 0.000 0.205 197 D C 2.254 178.486 176.300 -0.115 0.000 0.962 197 D CA 2.762 56.664 54.000 -0.164 0.000 0.855 197 D CB -0.232 40.495 40.800 -0.121 0.000 0.951 197 D HN -0.606 7.542 8.370 -0.370 0.000 0.500 198 I N 0.853 121.359 120.570 -0.107 0.000 2.163 198 I HA -0.645 3.475 4.170 -0.083 0.000 0.243 198 I C 1.826 177.853 176.117 -0.150 0.000 1.085 198 I CA 4.476 65.719 61.300 -0.095 0.000 1.347 198 I CB -0.124 37.837 38.000 -0.066 0.000 1.044 198 I HN -0.441 7.619 8.210 -0.112 0.083 0.408 199 S N -0.261 115.371 115.700 -0.112 0.000 2.356 199 S HA -0.356 4.021 4.470 -0.155 0.000 0.223 199 S C 2.445 176.973 174.600 -0.120 0.000 1.032 199 S CA 3.266 61.403 58.200 -0.104 0.000 1.005 199 S CB -0.098 63.120 63.200 0.029 0.000 0.867 199 S HN -0.540 7.723 8.310 -0.077 0.000 0.449 200 M N 1.487 121.042 119.600 -0.076 0.000 2.200 200 M HA -0.264 4.219 4.480 0.005 0.000 0.265 200 M C 2.181 178.476 176.300 -0.008 0.000 1.066 200 M CA 3.673 58.966 55.300 -0.012 0.000 1.127 200 M CB 0.296 32.905 32.600 0.016 0.000 1.379 200 M HN -0.505 7.729 8.290 -0.093 0.000 0.420 201 M N -2.577 116.985 119.600 -0.064 0.000 2.460 201 M HA -0.224 4.202 4.480 -0.091 0.000 0.263 201 M C 1.374 177.490 176.300 -0.307 0.000 1.071 201 M CA 1.275 56.493 55.300 -0.136 0.000 1.096 201 M CB -1.460 31.083 32.600 -0.095 0.000 1.408 201 M HN 0.047 8.288 8.290 -0.081 0.000 0.463 202 R N -0.518 119.724 120.500 -0.431 0.000 2.117 202 R HA -0.393 3.388 4.340 -0.932 0.000 0.243 202 R C 2.420 178.525 176.300 -0.325 0.000 1.143 202 R CA 3.246 58.922 56.100 -0.707 0.000 0.968 202 R CB -0.490 29.226 30.300 -0.973 0.000 0.863 202 R HN -0.658 7.337 8.270 -0.398 0.036 0.444 203 M N -2.308 117.156 119.600 -0.228 0.000 2.117 203 M HA -0.262 4.171 4.480 -0.078 0.000 0.262 203 M C 1.925 178.045 176.300 -0.300 0.000 1.065 203 M CA 2.351 57.559 55.300 -0.154 0.000 1.114 203 M CB -1.080 31.496 32.600 -0.041 0.000 1.361 203 M HN -0.520 7.628 8.290 -0.203 0.021 0.408 204 K N -0.129 119.859 120.400 -0.687 0.000 2.002 204 K HA -0.321 3.563 4.320 -0.726 0.000 0.209 204 K C 2.327 178.716 176.600 -0.351 0.000 1.048 204 K CA 3.404 59.198 56.287 -0.820 0.000 0.930 204 K CB -0.250 31.389 32.500 -1.435 0.000 0.714 204 K HN -0.610 7.157 8.250 -0.805 0.000 0.438 205 T N 1.721 116.150 114.554 -0.209 0.000 2.746 205 T HA -0.246 4.274 4.350 0.003 -0.168 0.267 205 T C 2.284 177.047 174.700 0.104 0.000 1.039 205 T CA 4.726 66.844 62.100 0.029 0.000 1.142 205 T CB -0.329 68.666 68.868 0.212 0.000 0.866 205 T HN -0.542 7.540 8.240 -0.264 0.000 0.444 206 I N 0.759 121.380 120.570 0.085 0.000 2.163 206 I HA -0.546 3.649 4.170 0.043 0.000 0.243 206 I C 1.734 177.826 176.117 -0.041 0.000 1.085 206 I CA 4.479 65.806 61.300 0.045 0.000 1.347 206 I CB -0.550 37.491 38.000 0.069 0.000 1.044 206 I HN 0.184 8.432 8.210 0.064 0.000 0.408 207 G N -1.758 106.995 108.800 -0.078 0.000 2.440 207 G HA2 -0.404 3.488 3.960 -0.113 0.000 0.218 207 G HA3 -0.404 3.492 3.960 -0.106 0.000 0.218 207 G C 0.987 175.808 174.900 -0.132 0.000 1.154 207 G CA 2.059 47.094 45.100 -0.109 0.000 0.767 207 G HN -0.610 7.627 8.290 -0.088 0.000 0.552 208 E N 1.569 121.688 120.200 -0.134 0.000 2.085 208 E HA -0.517 3.729 4.350 -0.173 0.000 0.194 208 E C 2.261 178.693 176.600 -0.281 0.000 0.994 208 E CA 3.591 59.879 56.400 -0.187 0.000 0.801 208 E CB -0.072 29.513 29.700 -0.192 0.000 0.743 208 E HN -0.555 7.732 8.360 -0.122 0.000 0.453 209 H N -0.987 117.911 119.070 -0.288 0.000 2.423 209 H HA -0.153 4.162 4.556 -0.401 0.000 0.297 209 H C 2.576 177.537 175.328 -0.613 0.000 1.075 209 H CA 4.029 59.795 56.048 -0.469 0.000 1.342 209 H CB 0.356 29.805 29.762 -0.523 0.000 1.395 209 H HN -0.585 7.671 8.280 -0.041 0.000 0.530 210 I N 0.303 120.678 120.570 -0.324 0.000 2.179 210 I HA -0.491 3.438 4.170 -0.401 0.000 0.242 210 I C 2.030 177.965 176.117 -0.304 0.000 1.088 210 I CA 4.419 65.525 61.300 -0.324 0.000 1.357 210 I CB -0.062 37.808 38.000 -0.216 0.000 1.051 210 I HN 0.009 8.082 8.210 -0.229 0.000 0.409 211 V N -0.389 119.385 119.914 -0.232 0.000 2.343 211 V HA -0.445 3.564 4.120 -0.186 0.000 0.247 211 V C 1.586 177.591 176.094 -0.148 0.000 1.051 211 V CA 3.379 65.572 62.300 -0.178 0.000 1.036 211 V CB -0.666 31.080 31.823 -0.128 0.000 0.654 211 V HN -0.365 7.697 8.190 -0.214 0.000 0.451 212 A N -2.945 119.781 122.820 -0.157 0.000 1.929 212 A HA -0.171 4.150 4.320 0.003 0.000 0.216 212 A C 0.561 178.218 177.584 0.122 0.000 1.176 212 A CA 2.456 54.474 52.037 -0.032 0.000 0.628 212 A CB 0.488 19.446 19.000 -0.070 0.000 0.816 212 A HN -0.292 7.725 8.150 -0.223 0.000 0.444 213 H N -8.395 110.652 119.070 -0.038 0.000 2.950 213 H HA 0.162 4.851 4.556 0.220 0.000 0.202 213 H C 1.689 177.014 175.328 -0.006 0.000 0.893 213 H CA 0.671 56.763 56.048 0.072 0.000 0.931 213 H CB 1.198 31.025 29.762 0.108 0.000 1.158 213 H HN -0.445 7.641 8.280 -0.324 0.000 0.545 214 I N 2.279 122.501 120.570 -0.580 0.000 2.361 214 I HA -0.313 3.936 4.170 -0.125 -0.154 0.251 214 I C 1.929 177.930 176.117 -0.194 0.000 1.133 214 I CA 3.467 64.559 61.300 -0.346 0.000 1.413 214 I CB -0.041 37.630 38.000 -0.549 0.000 1.073 214 I HN 0.009 7.663 8.210 -0.927 0.000 0.424 215 Q N -1.563 118.048 119.800 -0.315 0.000 2.234 215 Q HA -0.331 3.867 4.340 -0.237 0.000 0.206 215 Q C 0.759 176.579 176.000 -0.299 0.000 0.980 215 Q CA 2.581 58.182 55.803 -0.338 0.000 0.869 215 Q CB -0.307 28.158 28.738 -0.455 0.000 0.912 215 Q HN -0.410 7.621 8.270 -0.374 0.015 0.436 216 H N -3.540 115.527 119.070 -0.005 0.000 2.553 216 H HA 0.200 4.759 4.556 0.005 0.000 0.265 216 H C 0.444 175.801 175.328 0.049 0.000 0.964 216 H CA 0.848 56.909 56.048 0.021 0.000 1.156 216 H CB 0.475 30.259 29.762 0.037 0.000 1.411 216 H HN -0.448 7.646 8.280 -0.240 0.042 0.558 217 E N -2.034 118.264 120.200 0.163 0.000 2.372 217 E HA 0.089 4.540 4.350 0.169 0.000 0.201 217 E C -0.104 176.576 176.600 0.134 0.000 0.938 217 E CA 0.740 57.249 56.400 0.181 0.000 0.944 217 E CB 2.142 32.023 29.700 0.301 0.000 0.937 217 E HN -0.406 7.843 8.360 0.111 0.178 0.495 218 V N -5.480 114.489 119.914 0.092 0.000 3.078 218 V HA 0.238 4.402 4.120 0.073 0.000 0.311 218 V C -1.759 174.314 176.094 -0.036 0.000 1.138 218 V CA -2.389 59.952 62.300 0.068 0.000 1.007 218 V CB 2.630 34.538 31.823 0.142 0.000 1.045 218 V HN -0.812 7.416 8.190 0.063 0.000 0.432 219 D N -0.336 120.018 120.400 -0.078 0.000 2.271 219 D HA 0.076 4.522 4.640 -0.324 0.000 0.206 219 D C -0.395 175.485 176.300 -0.700 0.000 0.967 219 D CA 3.202 57.001 54.000 -0.335 0.000 0.867 219 D CB 1.972 42.616 40.800 -0.260 0.000 0.960 219 D HN 0.063 8.430 8.370 -0.005 0.000 0.509 220 F N -3.943 115.985 119.950 -0.038 0.000 2.601 220 F HA 0.450 5.064 4.527 -0.085 -0.138 0.309 220 F C -2.387 173.403 175.800 -0.016 0.000 1.089 220 F CA -0.759 57.198 58.000 -0.071 0.000 0.940 220 F CB 4.475 43.398 39.000 -0.128 0.000 1.273 220 F HN -0.885 7.443 8.300 0.047 0.000 0.450 221 L N -0.385 120.902 121.223 0.106 0.000 2.410 221 L HA 0.641 5.285 4.340 0.218 -0.173 0.270 221 L C -2.491 174.334 176.870 -0.075 0.000 0.983 221 L CA -1.072 53.824 54.840 0.093 0.000 0.822 221 L CB 4.330 46.407 42.059 0.031 0.000 1.285 221 L HN 0.569 8.830 8.230 0.053 0.000 0.409 222 F N 4.800 124.854 119.950 0.173 0.000 2.458 222 F HA 0.516 5.181 4.527 0.007 -0.134 0.330 222 F C -0.958 174.783 175.800 -0.099 0.000 1.082 222 F CA -1.444 56.590 58.000 0.055 0.000 0.995 222 F CB 3.969 43.064 39.000 0.158 0.000 1.170 222 F HN 0.222 8.773 8.300 0.418 0.000 0.478 223 C N 2.593 121.796 119.300 -0.162 0.000 2.322 223 C HA 0.673 5.046 4.460 -0.145 0.000 0.324 223 C C -1.296 173.514 174.990 -0.300 0.000 1.249 223 C CA -1.411 57.391 59.018 -0.361 0.000 1.453 223 C CB 1.160 28.363 27.740 -0.894 0.000 2.145 223 C HN 0.672 8.771 8.230 -0.218 0.000 0.466 224 M N 3.335 122.858 119.600 -0.128 0.000 2.530 224 M HA 0.617 5.227 4.480 -0.124 -0.205 0.307 224 M C -1.309 174.880 176.300 -0.185 0.000 1.161 224 M CA -1.218 54.008 55.300 -0.124 0.000 0.903 224 M CB 4.867 37.447 32.600 -0.034 0.000 1.711 224 M HN 0.097 8.339 8.290 -0.080 0.000 0.451 225 D N 2.906 123.188 120.400 -0.198 0.000 2.400 225 D HA 0.003 4.535 4.640 -0.180 0.000 0.238 225 D C -0.011 176.056 176.300 -0.389 0.000 1.157 225 D CA 1.262 55.126 54.000 -0.227 0.000 0.889 225 D CB 0.591 41.262 40.800 -0.215 0.000 1.199 225 D HN -0.086 8.175 8.370 -0.181 0.000 0.436 226 V N -0.302 119.403 119.914 -0.349 0.000 3.052 226 V HA -0.032 3.497 4.120 -0.985 0.000 0.254 226 V C -0.226 175.747 176.094 -0.202 0.000 1.100 226 V CA 1.675 63.707 62.300 -0.446 0.000 1.112 226 V CB 0.600 32.317 31.823 -0.175 0.000 0.738 226 V HN 0.283 8.347 8.190 -0.210 0.000 0.469 227 D N -1.770 118.453 120.400 -0.295 0.000 3.032 227 D HA -0.068 3.944 4.640 -1.047 0.000 0.241 227 D C -1.262 174.861 176.300 -0.294 0.000 1.196 227 D CA -0.686 52.928 54.000 -0.643 0.000 0.927 227 D CB -2.744 37.602 40.800 -0.757 0.000 1.129 227 D HN 0.289 8.516 8.370 -0.238 0.000 0.458 228 Q N -5.529 114.235 119.800 -0.061 0.000 2.633 228 Q HA 0.547 5.021 4.340 0.065 -0.095 0.289 228 Q C -2.246 173.842 176.000 0.147 0.000 0.940 228 Q CA -1.073 54.759 55.803 0.049 0.000 0.785 228 Q CB 3.999 32.725 28.738 -0.020 0.000 1.467 228 Q HN -0.423 7.770 8.270 0.013 0.086 0.401 229 V N -1.214 118.752 119.914 0.086 0.000 2.577 229 V HA 0.322 4.501 4.120 0.098 0.000 0.303 229 V C -1.309 174.805 176.094 0.033 0.000 1.042 229 V CA -2.109 60.247 62.300 0.092 0.000 0.872 229 V CB 2.964 34.879 31.823 0.154 0.000 0.998 229 V HN 0.197 8.435 8.190 0.081 0.000 0.423 230 F N 6.970 126.903 119.950 -0.028 0.000 2.529 230 F HA -0.055 4.611 4.527 0.004 -0.137 0.365 230 F C 0.115 175.906 175.800 -0.015 0.000 1.102 230 F CA 2.024 60.019 58.000 -0.007 0.000 1.271 230 F CB 0.218 39.228 39.000 0.016 0.000 1.120 230 F HN 0.068 8.512 8.300 0.240 0.000 0.579 231 Q N 1.599 121.403 119.800 0.006 0.000 2.322 231 Q HA 0.169 4.500 4.340 -0.016 0.000 0.250 231 Q C -0.846 174.875 176.000 -0.465 0.000 0.853 231 Q CA 0.053 55.789 55.803 -0.111 0.000 0.951 231 Q CB 2.944 31.714 28.738 0.053 0.000 1.114 231 Q HN 0.402 8.570 8.270 0.035 0.123 0.523 232 D N -2.026 118.017 120.400 -0.597 0.000 2.768 232 D HA 0.130 4.407 4.640 -0.606 0.000 0.327 232 D C -2.060 174.153 176.300 -0.145 0.000 1.302 232 D CA -0.920 52.815 54.000 -0.442 0.000 0.897 232 D CB 2.491 43.218 40.800 -0.123 0.000 1.420 232 D HN -0.812 7.333 8.370 -0.376 0.000 0.494 233 K N -1.158 119.300 120.400 0.097 0.000 2.472 233 K HA -0.039 4.612 4.320 0.294 -0.155 0.280 233 K C -0.591 176.143 176.600 0.224 0.000 1.028 233 K CA 0.140 56.553 56.287 0.209 0.000 1.045 233 K CB -0.470 32.135 32.500 0.175 0.000 0.902 233 K HN 0.041 8.345 8.250 0.089 0.000 0.478 234 F N 7.689 127.727 119.950 0.146 0.000 2.443 234 F HA 0.184 4.857 4.527 0.244 0.000 0.369 234 F C -1.858 173.937 175.800 -0.008 0.000 1.090 234 F CA -1.537 56.583 58.000 0.200 0.000 1.129 234 F CB 1.807 41.084 39.000 0.462 0.000 1.367 234 F HN 0.147 8.683 8.300 0.394 0.000 0.465 235 G N 3.249 112.069 108.800 0.034 0.000 3.107 235 G HA2 0.389 4.353 3.960 -0.059 0.000 0.232 235 G HA3 0.389 4.293 3.960 -0.094 0.000 0.232 235 G C -0.234 174.533 174.900 -0.222 0.000 1.339 235 G CA -1.518 43.530 45.100 -0.086 0.000 1.033 235 G HN -0.340 8.232 8.290 -0.047 -0.310 0.567 236 V N -2.817 116.950 119.914 -0.244 0.000 3.078 236 V HA -0.172 3.655 4.120 -0.488 0.000 0.265 236 V C 1.556 177.413 176.094 -0.395 0.000 1.122 236 V CA 1.946 64.018 62.300 -0.380 0.000 1.141 236 V CB -0.362 31.255 31.823 -0.344 0.000 0.735 236 V HN 0.453 8.549 8.190 -0.157 0.000 0.498 237 E N 0.093 120.064 120.200 -0.382 0.000 2.333 237 E HA -0.227 3.721 4.350 -0.670 0.000 0.198 237 E C 0.952 177.226 176.600 -0.542 0.000 1.007 237 E CA 2.850 58.939 56.400 -0.518 0.000 0.845 237 E CB -1.566 27.839 29.700 -0.491 0.000 0.766 237 E HN 0.510 8.638 8.360 -0.317 0.042 0.507 238 T N -3.788 110.486 114.554 -0.468 0.000 3.107 238 T HA -0.025 4.063 4.350 -0.438 0.000 0.249 238 T C 0.328 174.936 174.700 -0.154 0.000 1.096 238 T CA 0.190 62.070 62.100 -0.367 0.000 1.012 238 T CB 0.109 68.722 68.868 -0.426 0.000 0.977 238 T HN -0.470 7.453 8.240 -0.428 0.060 0.527 239 L N 1.411 122.405 121.223 -0.382 0.000 2.417 239 L HA 0.088 4.159 4.340 -0.450 0.000 0.268 239 L C -0.467 176.112 176.870 -0.485 0.000 1.158 239 L CA 0.610 55.086 54.840 -0.607 0.000 0.819 239 L CB 0.632 41.928 42.059 -1.271 0.000 1.112 239 L HN -0.755 7.130 8.230 -0.478 0.057 0.458 240 G N -0.879 107.708 108.800 -0.354 0.000 2.349 240 G HA2 0.041 3.981 3.960 -0.034 0.000 0.294 240 G HA3 0.041 4.004 3.960 0.005 0.000 0.294 240 G C -0.399 174.615 174.900 0.190 0.000 1.380 240 G CA 0.257 45.338 45.100 -0.031 0.000 0.811 240 G HN -0.519 7.539 8.290 -0.386 0.000 0.519 241 E N -0.197 120.118 120.200 0.192 0.000 2.077 241 E HA -0.182 4.293 4.350 0.209 0.000 0.193 241 E C -0.400 176.283 176.600 0.138 0.000 0.989 241 E CA 2.974 59.481 56.400 0.178 0.000 0.800 241 E CB 1.042 30.827 29.700 0.142 0.000 0.746 241 E HN 0.054 8.510 8.360 0.161 0.000 0.452 242 S N -4.743 111.029 115.700 0.121 0.000 2.668 242 S HA 0.524 5.246 4.470 0.155 -0.159 0.277 242 S C -1.824 172.813 174.600 0.061 0.000 1.170 242 S CA -0.979 57.309 58.200 0.148 0.000 0.994 242 S CB 2.661 66.011 63.200 0.249 0.000 1.051 242 S HN -0.581 7.794 8.310 0.108 0.000 0.484 243 V N 3.854 123.801 119.914 0.056 0.000 2.444 243 V HA 0.713 5.006 4.120 -0.063 -0.210 0.294 243 V C -1.415 174.678 176.094 -0.002 0.000 1.022 243 V CA -1.801 60.497 62.300 -0.002 0.000 0.850 243 V CB 2.521 34.367 31.823 0.038 0.000 0.992 243 V HN 0.507 8.773 8.190 0.127 0.000 0.426 244 A N 6.604 129.277 122.820 -0.245 0.000 2.354 244 A HA 0.520 4.808 4.320 -0.054 0.000 0.321 244 A C -2.433 175.146 177.584 -0.008 0.000 1.125 244 A CA -1.897 49.959 52.037 -0.301 0.000 0.799 244 A CB 3.697 21.965 19.000 -1.220 0.000 1.293 244 A HN 0.422 8.407 8.150 -0.275 0.000 0.452 245 Q N 0.543 120.450 119.800 0.178 0.000 2.322 245 Q HA 0.310 4.731 4.340 0.136 0.000 0.265 245 Q C -0.911 175.276 176.000 0.313 0.000 0.985 245 Q CA -2.125 53.815 55.803 0.228 0.000 0.849 245 Q CB 2.246 31.155 28.738 0.285 0.000 1.274 245 Q HN 0.379 8.788 8.270 0.231 0.000 0.449 246 L N 7.298 128.641 121.223 0.200 0.000 2.410 246 L HA 0.015 4.502 4.340 0.246 0.000 0.273 246 L C -0.743 176.319 176.870 0.321 0.000 1.144 246 L CA 0.224 55.197 54.840 0.223 0.000 0.863 246 L CB -0.114 42.013 42.059 0.114 0.000 1.140 246 L HN 0.053 8.341 8.230 0.098 0.000 0.463 247 Q N 3.722 123.747 119.800 0.374 0.000 2.289 247 Q HA -0.165 4.401 4.340 0.378 0.000 0.273 247 Q C 1.235 177.502 176.000 0.445 0.000 1.029 247 Q CA 0.545 56.591 55.803 0.405 0.000 0.896 247 Q CB 1.433 30.432 28.738 0.435 0.000 1.182 247 Q HN -0.452 8.021 8.270 0.339 0.000 0.385 248 A N 8.107 131.148 122.820 0.367 0.000 1.940 248 A HA -0.182 4.314 4.320 0.294 0.000 0.219 248 A C 1.445 179.064 177.584 0.058 0.000 1.176 248 A CA 2.845 54.964 52.037 0.137 0.000 0.631 248 A CB -0.289 18.444 19.000 -0.445 0.000 0.814 248 A HN 0.888 9.300 8.150 0.436 0.000 0.446 249 W N -3.968 117.290 121.300 -0.069 0.000 2.905 249 W HA -0.145 4.305 4.660 -0.351 0.000 0.251 249 W C 0.605 176.814 176.519 -0.517 0.000 1.305 249 W CA 1.931 59.047 57.345 -0.382 0.000 1.465 249 W CB 0.181 29.290 29.460 -0.585 0.000 1.122 249 W HN -0.134 8.570 8.180 0.398 -0.285 0.659 250 W N -3.464 118.013 121.300 0.295 0.000 2.534 250 W HA 0.152 4.929 4.660 0.195 0.000 0.339 250 W C 1.286 177.967 176.519 0.271 0.000 0.961 250 W CA 0.048 57.519 57.345 0.210 0.000 1.545 250 W CB 0.412 29.887 29.460 0.026 0.000 1.104 250 W HN -0.372 8.026 8.180 0.474 0.066 0.538 251 Y N -0.470 120.059 120.300 0.381 0.000 2.352 251 Y HA -0.223 4.588 4.550 0.435 0.000 0.292 251 Y C 0.435 176.582 175.900 0.412 0.000 1.136 251 Y CA 2.138 60.479 58.100 0.402 0.000 1.227 251 Y CB -0.651 38.025 38.460 0.359 0.000 0.991 251 Y HN -0.331 8.322 8.280 0.622 0.000 0.545 252 K N -2.790 117.452 120.400 -0.262 0.000 2.374 252 K HA 0.018 4.308 4.320 -0.051 0.000 0.196 252 K C -0.172 176.464 176.600 0.060 0.000 1.023 252 K CA -0.516 55.673 56.287 -0.163 0.000 1.103 252 K CB -0.418 31.856 32.500 -0.378 0.000 0.848 252 K HN -0.179 7.792 8.250 -0.420 0.028 0.528 253 A N 0.488 123.452 122.820 0.240 0.000 2.304 253 A HA -0.026 4.387 4.320 0.154 0.000 0.271 253 A C -0.896 176.782 177.584 0.157 0.000 1.091 253 A CA -0.004 52.201 52.037 0.280 0.000 0.812 253 A CB 1.152 20.497 19.000 0.576 0.000 1.056 253 A HN -0.581 7.595 8.150 0.335 0.175 0.489 254 D N 0.880 121.270 120.400 -0.016 0.000 2.425 254 D HA 0.161 4.696 4.640 -0.176 0.000 0.247 254 D C 0.311 176.217 176.300 -0.656 0.000 1.147 254 D CA -2.276 51.600 54.000 -0.207 0.000 0.879 254 D CB 1.419 42.148 40.800 -0.119 0.000 1.179 254 D HN 0.275 8.661 8.370 0.027 0.000 0.456 255 P HA -0.169 1.947 4.420 -3.840 0.000 0.218 255 P C 1.602 178.393 177.300 -0.849 0.000 1.146 255 P CA 1.910 64.031 63.100 -1.632 0.000 0.813 255 P CB 0.147 31.474 31.700 -0.623 0.000 0.778 256 N N -3.396 115.099 118.700 -0.342 0.000 2.521 256 N HA -0.070 4.752 4.740 0.137 0.000 0.188 256 N C 0.058 175.589 175.510 0.034 0.000 1.146 256 N CA 0.824 53.877 53.050 0.004 0.000 0.893 256 N CB -0.546 37.987 38.487 0.076 0.000 0.975 256 N HN 0.380 nan 8.380 nan 0.000 0.451 257 D N -1.631 118.703 120.400 -0.110 0.000 2.360 257 D HA 0.076 4.765 4.640 0.081 0.000 0.210 257 D C -0.618 175.634 176.300 -0.079 0.000 1.047 257 D CA 0.237 54.254 54.000 0.029 0.000 0.854 257 D CB 0.946 41.842 40.800 0.160 0.000 0.936 257 D HN -0.450 7.717 8.370 -0.252 0.053 0.514 258 F N 0.073 119.782 119.950 -0.401 0.000 2.496 258 F HA 0.007 3.734 4.527 -1.333 0.000 0.344 258 F C 0.859 176.154 175.800 -0.842 0.000 1.155 258 F CA -0.956 56.482 58.000 -0.936 0.000 1.302 258 F CB 0.734 39.093 39.000 -1.068 0.000 1.159 258 F HN -0.647 7.285 8.300 -0.410 0.122 0.595 259 T N -0.524 113.470 114.554 -0.933 0.000 3.418 259 T HA -0.084 4.145 4.350 -0.202 0.000 0.239 259 T C -1.026 173.675 174.700 0.003 0.000 0.905 259 T CA -1.160 60.692 62.100 -0.414 0.000 0.929 259 T CB -1.536 67.093 68.868 -0.398 0.000 1.121 259 T HN 0.253 7.544 8.240 -1.581 0.000 0.608 260 Y N 0.741 121.080 120.300 0.066 0.000 2.607 260 Y HA -0.376 4.306 4.550 0.221 0.000 0.348 260 Y C -0.019 175.908 175.900 0.045 0.000 1.261 260 Y CA -0.125 58.046 58.100 0.119 0.000 1.480 260 Y CB 0.628 39.108 38.460 0.034 0.000 1.358 260 Y HN -0.935 7.177 8.280 -0.108 0.103 0.630 261 E N 0.415 120.729 120.200 0.189 0.000 2.351 261 E HA -0.186 4.210 4.350 0.077 0.000 0.266 261 E C 0.260 176.914 176.600 0.090 0.000 1.031 261 E CA 0.802 57.251 56.400 0.080 0.000 0.911 261 E CB -0.022 29.673 29.700 -0.008 0.000 0.986 261 E HN 0.408 8.880 8.360 0.186 0.000 0.446 262 R N 4.444 125.003 120.500 0.099 0.000 2.437 262 R HA 0.249 4.664 4.340 0.125 0.000 0.257 262 R C -0.083 176.354 176.300 0.229 0.000 0.927 262 R CA -1.419 54.760 56.100 0.133 0.000 1.078 262 R CB 0.038 30.341 30.300 0.005 0.000 1.161 262 R HN 0.293 8.611 8.270 0.080 0.000 0.529 263 R N 1.353 121.917 120.500 0.107 0.000 2.234 263 R HA 0.117 4.402 4.340 -0.091 0.000 0.324 263 R C 0.604 176.724 176.300 -0.300 0.000 1.054 263 R CA -0.364 55.695 56.100 -0.068 0.000 0.912 263 R CB 0.249 30.516 30.300 -0.055 0.000 1.030 263 R HN -0.251 8.386 8.270 0.096 -0.310 0.455 264 K N 4.244 124.229 120.400 -0.692 0.000 2.280 264 K HA -0.337 2.879 4.320 -1.840 0.000 0.202 264 K C 0.394 176.747 176.600 -0.413 0.000 1.047 264 K CA 2.841 58.511 56.287 -1.029 0.000 0.942 264 K CB -0.138 31.864 32.500 -0.830 0.000 0.739 264 K HN 0.525 8.446 8.250 -0.547 0.000 0.457 265 E N -2.116 117.938 120.200 -0.244 0.000 2.418 265 E HA -0.085 4.188 4.350 -0.130 0.000 0.197 265 E C -0.144 176.405 176.600 -0.085 0.000 1.026 265 E CA 1.233 57.552 56.400 -0.135 0.000 0.862 265 E CB -0.548 29.091 29.700 -0.103 0.000 0.799 265 E HN 0.036 8.200 8.360 -0.241 0.051 0.518 266 S N -2.062 113.595 115.700 -0.071 0.000 2.554 266 S HA 0.108 4.714 4.470 -0.017 -0.146 0.278 266 S C 0.745 175.351 174.600 0.010 0.000 1.242 266 S CA -2.060 56.126 58.200 -0.024 0.000 1.051 266 S CB 1.192 64.369 63.200 -0.037 0.000 0.986 266 S HN -0.789 7.414 8.310 -0.097 0.049 0.502 267 A N 7.751 130.594 122.820 0.038 0.000 2.070 267 A HA -0.267 4.079 4.320 0.044 0.000 0.220 267 A C 0.765 178.366 177.584 0.027 0.000 1.159 267 A CA 2.797 54.872 52.037 0.062 0.000 0.656 267 A CB -0.255 18.814 19.000 0.114 0.000 0.800 267 A HN 0.808 9.365 8.150 0.055 -0.374 0.453 268 A N -3.828 118.929 122.820 -0.105 0.000 2.251 268 A HA -0.073 4.133 4.320 -0.190 0.000 0.209 268 A C -1.045 176.476 177.584 -0.105 0.000 1.187 268 A CA -0.668 51.226 52.037 -0.238 0.000 0.823 268 A CB -0.297 18.333 19.000 -0.617 0.000 0.846 268 A HN -0.699 7.330 8.150 -0.120 0.049 0.486 269 Y N 0.922 121.132 120.300 -0.150 0.000 2.810 269 Y HA -0.297 4.370 4.550 -0.131 -0.196 0.332 269 Y C -1.427 174.375 175.900 -0.162 0.000 1.243 269 Y CA 0.948 58.967 58.100 -0.134 0.000 1.537 269 Y CB -0.058 38.342 38.460 -0.100 0.000 1.265 269 Y HN -0.898 7.380 8.280 0.111 0.069 0.572 270 I N 8.531 128.697 120.570 -0.674 0.000 2.439 270 I HA 0.411 4.124 4.170 -0.762 0.000 0.285 270 I C -2.117 173.424 176.117 -0.959 0.000 1.021 270 I CA -3.194 57.637 61.300 -0.782 0.000 1.091 270 I CB 2.810 40.389 38.000 -0.702 0.000 1.242 270 I HN 0.247 8.177 8.210 -0.467 0.000 0.439 271 P HA 0.150 4.177 4.420 -0.655 0.000 0.274 271 P C -0.372 176.729 177.300 -0.332 0.000 1.237 271 P CA -0.951 61.783 63.100 -0.611 0.000 0.793 271 P CB 0.624 32.158 31.700 -0.276 0.000 0.977 272 F N -0.923 119.018 119.950 -0.016 0.000 2.602 272 F HA -0.477 4.148 4.527 0.010 -0.092 0.367 272 F C 1.870 177.664 175.800 -0.009 0.000 1.126 272 F CA 1.847 59.850 58.000 0.004 0.000 1.321 272 F CB 0.001 39.012 39.000 0.018 0.000 1.094 272 F HN -0.071 8.091 8.300 -0.230 0.000 0.594 273 G N 1.618 110.520 108.800 0.169 0.000 2.175 273 G HA2 -0.428 3.580 3.960 0.080 0.000 0.244 273 G HA3 -0.428 3.575 3.960 0.072 0.000 0.244 273 G C -1.107 173.816 174.900 0.039 0.000 0.982 273 G CA -0.252 44.897 45.100 0.082 0.000 0.641 273 G HN 0.665 9.455 8.290 0.205 -0.377 0.527 274 E N 0.237 120.452 120.200 0.025 0.000 2.336 274 E HA 0.260 4.619 4.350 0.016 0.000 0.267 274 E C -1.469 175.188 176.600 0.094 0.000 0.906 274 E CA -1.370 55.036 56.400 0.010 0.000 0.781 274 E CB 3.153 32.809 29.700 -0.073 0.000 1.261 274 E HN -0.680 7.631 8.360 0.029 0.066 0.436 275 G N 1.251 110.118 108.800 0.111 0.000 2.697 275 G HA2 -0.164 4.110 3.960 0.523 0.000 0.684 275 G HA3 -0.164 3.927 3.960 0.218 0.000 0.684 275 G C -1.698 173.337 174.900 0.225 0.000 1.274 275 G CA -0.280 44.988 45.100 0.279 0.000 0.806 275 G HN 0.092 8.419 8.290 0.062 0.000 0.644 276 D N 1.234 121.791 120.400 0.261 0.000 2.566 276 D HA 0.275 4.896 4.640 -0.031 0.000 0.253 276 D C 0.024 176.162 176.300 -0.270 0.000 0.992 276 D CA 1.184 55.219 54.000 0.058 0.000 0.940 276 D CB 1.456 42.482 40.800 0.377 0.000 1.095 276 D HN 0.408 8.975 8.370 0.328 0.000 0.480 277 F N -4.039 116.094 119.950 0.305 0.000 2.685 277 F HA 0.164 4.873 4.527 0.302 0.000 0.315 277 F C -2.074 173.425 175.800 -0.502 0.000 1.126 277 F CA -1.474 56.515 58.000 -0.018 0.000 0.950 277 F CB 3.147 41.964 39.000 -0.306 0.000 1.360 277 F HN -0.717 7.759 8.300 0.292 0.000 0.469 278 Y N 2.559 122.363 120.300 -0.826 0.000 2.417 278 Y HA 0.349 4.699 4.550 -0.578 -0.147 0.336 278 Y C -1.572 174.149 175.900 -0.299 0.000 0.961 278 Y CA -1.170 56.432 58.100 -0.830 0.000 1.215 278 Y CB 0.893 38.512 38.460 -1.402 0.000 1.120 278 Y HN 0.385 8.387 8.280 -0.464 0.000 0.499 279 Y N 7.584 127.701 120.300 -0.306 0.000 2.299 279 Y HA 0.349 5.123 4.550 0.069 -0.183 0.326 279 Y C -0.127 175.720 175.900 -0.087 0.000 1.164 279 Y CA -1.391 56.680 58.100 -0.049 0.000 1.234 279 Y CB 1.883 40.426 38.460 0.139 0.000 1.219 279 Y HN -0.101 8.185 8.280 -0.533 -0.325 0.497 280 H N 2.894 122.083 119.070 0.199 0.000 2.562 280 H HA 0.043 4.821 4.556 0.115 -0.153 0.314 280 H C 0.439 175.881 175.328 0.189 0.000 1.079 280 H CA -1.405 54.744 56.048 0.168 0.000 1.349 280 H CB 2.182 32.076 29.762 0.220 0.000 1.432 280 H HN 0.270 8.832 8.280 0.470 0.000 0.479 281 A N 7.588 130.569 122.820 0.268 0.000 2.239 281 A HA -0.109 4.359 4.320 0.246 0.000 0.209 281 A C -0.541 177.088 177.584 0.075 0.000 1.171 281 A CA 1.175 53.325 52.037 0.188 0.000 0.768 281 A CB -0.158 18.940 19.000 0.164 0.000 0.790 281 A HN 0.354 9.069 8.150 0.363 -0.347 0.478 282 A N -3.803 118.816 122.820 -0.335 0.000 2.119 282 A HA -0.113 4.252 4.320 -0.273 -0.209 0.216 282 A C -0.855 176.616 177.584 -0.188 0.000 1.152 282 A CA 1.050 52.825 52.037 -0.437 0.000 0.708 282 A CB 0.672 19.081 19.000 -0.985 0.000 0.805 282 A HN 0.096 7.787 8.150 -0.628 0.083 0.460 283 I N -3.003 117.562 120.570 -0.009 0.000 2.548 283 I HA 0.446 4.810 4.170 0.064 -0.155 0.287 283 I C -2.294 174.047 176.117 0.374 0.000 1.103 283 I CA -0.808 60.574 61.300 0.136 0.000 1.049 283 I CB 2.224 40.322 38.000 0.162 0.000 1.232 283 I HN -0.966 7.212 8.210 0.012 0.038 0.429 284 F N 1.617 121.735 119.950 0.279 0.000 2.662 284 F HA 0.832 5.667 4.527 0.321 -0.116 0.312 284 F C -2.227 173.703 175.800 0.217 0.000 1.113 284 F CA -2.335 55.836 58.000 0.285 0.000 0.951 284 F CB 3.090 42.235 39.000 0.241 0.000 1.344 284 F HN 0.110 8.361 8.300 -0.083 0.000 0.462 285 G N -2.914 105.969 108.800 0.139 0.000 2.561 285 G HA2 0.665 4.054 3.960 -1.010 0.000 0.310 285 G HA3 0.665 4.509 3.960 -0.270 -0.046 0.310 285 G C -2.471 172.330 174.900 -0.166 0.000 1.292 285 G CA -0.222 44.669 45.100 -0.349 0.000 0.811 285 G HN 0.091 8.571 8.290 0.317 0.000 0.482 286 G N -2.975 105.688 108.800 -0.229 0.000 2.352 286 G HA2 -0.007 4.084 3.960 0.046 0.000 0.283 286 G HA3 -0.007 4.206 3.960 0.042 -0.228 0.283 286 G C -2.315 172.626 174.900 0.069 0.000 1.308 286 G CA 0.604 45.707 45.100 0.005 0.000 0.892 286 G HN -0.201 7.864 8.290 -0.376 0.000 0.504 287 T N -2.535 112.051 114.554 0.053 0.000 2.856 287 T HA 0.460 4.813 4.350 -0.235 -0.144 0.306 287 T C -0.228 174.417 174.700 -0.091 0.000 1.062 287 T CA -1.684 60.345 62.100 -0.118 0.000 1.083 287 T CB -0.500 68.270 68.868 -0.163 0.000 0.984 287 T HN -0.357 7.936 8.240 0.087 0.000 0.542 288 P HA -0.248 4.113 4.420 -0.099 0.000 0.216 288 P C 1.192 178.434 177.300 -0.096 0.000 1.150 288 P CA 3.011 66.042 63.100 -0.114 0.000 0.843 288 P CB -0.152 31.460 31.700 -0.147 0.000 0.787 289 T N -2.091 112.410 114.554 -0.089 0.000 2.684 289 T HA -0.377 3.931 4.350 -0.071 0.000 0.267 289 T C 1.444 176.125 174.700 -0.032 0.000 1.036 289 T CA 4.161 66.224 62.100 -0.061 0.000 1.148 289 T CB -0.766 68.073 68.868 -0.048 0.000 0.863 289 T HN 0.252 8.418 8.240 -0.102 0.013 0.436 290 Q N -1.585 118.210 119.800 -0.008 0.000 2.049 290 Q HA -0.136 4.230 4.340 0.044 0.000 0.198 290 Q C 2.181 178.184 176.000 0.004 0.000 0.971 290 Q CA 2.061 57.883 55.803 0.032 0.000 0.833 290 Q CB 0.168 28.953 28.738 0.078 0.000 0.896 290 Q HN -0.751 7.509 8.270 -0.016 0.000 0.434 291 V N 0.082 119.996 119.914 -0.001 0.000 2.490 291 V HA -0.368 3.775 4.120 0.038 0.000 0.250 291 V C 2.154 178.221 176.094 -0.043 0.000 1.061 291 V CA 3.405 65.712 62.300 0.012 0.000 1.064 291 V CB -1.125 30.716 31.823 0.029 0.000 0.670 291 V HN -0.051 8.135 8.190 -0.006 0.000 0.461 292 L N 1.632 122.817 121.223 -0.064 0.000 2.012 292 L HA -0.309 3.981 4.340 -0.084 0.000 0.210 292 L C 2.532 179.346 176.870 -0.094 0.000 1.073 292 L CA 3.135 57.927 54.840 -0.081 0.000 0.748 292 L CB -0.914 41.095 42.059 -0.083 0.000 0.891 292 L HN -0.004 8.190 8.230 -0.061 0.000 0.431 293 N N -1.084 117.569 118.700 -0.079 0.000 2.142 293 N HA -0.248 4.462 4.740 -0.050 0.000 0.186 293 N C 2.041 177.392 175.510 -0.264 0.000 1.023 293 N CA 2.029 55.035 53.050 -0.072 0.000 0.852 293 N CB -0.159 38.352 38.487 0.040 0.000 0.998 293 N HN -0.001 nan 8.380 nan 0.000 0.424 294 I N -0.178 120.094 120.570 -0.498 0.000 2.118 294 I HA -0.508 2.377 4.170 -2.142 0.000 0.241 294 I C 1.595 177.306 176.117 -0.677 0.000 1.070 294 I CA 3.334 63.974 61.300 -1.100 0.000 1.327 294 I CB 0.172 37.663 38.000 -0.848 0.000 1.034 294 I HN -0.029 7.988 8.210 -0.322 0.000 0.405 295 T N -1.374 112.975 114.554 -0.342 0.000 2.857 295 T HA -0.276 3.925 4.350 -0.249 0.000 0.266 295 T C 2.226 176.846 174.700 -0.133 0.000 1.048 295 T CA 3.322 65.299 62.100 -0.203 0.000 1.139 295 T CB -0.333 68.489 68.868 -0.077 0.000 0.874 295 T HN -0.253 7.829 8.240 -0.263 0.000 0.455 296 Q N 1.334 121.065 119.800 -0.114 0.000 2.084 296 Q HA -0.354 3.987 4.340 0.003 0.000 0.202 296 Q C 2.559 178.542 176.000 -0.028 0.000 0.978 296 Q CA 3.493 59.272 55.803 -0.039 0.000 0.844 296 Q CB -0.141 28.575 28.738 -0.036 0.000 0.898 296 Q HN -0.182 8.007 8.270 -0.136 0.000 0.426 297 E N -0.528 119.628 120.200 -0.074 0.000 2.072 297 E HA -0.215 4.137 4.350 0.003 0.000 0.191 297 E C 2.298 178.867 176.600 -0.051 0.000 0.985 297 E CA 2.570 58.960 56.400 -0.016 0.000 0.801 297 E CB -0.387 29.389 29.700 0.125 0.000 0.750 297 E HN -0.344 7.940 8.360 -0.127 0.000 0.452 298 C N -0.147 119.071 119.300 -0.137 0.000 2.429 298 C HA -0.262 4.142 4.460 -0.092 0.000 0.277 298 C C 2.112 177.002 174.990 -0.167 0.000 1.262 298 C CA 4.873 63.806 59.018 -0.142 0.000 1.733 298 C CB -1.607 26.008 27.740 -0.208 0.000 2.010 298 C HN -0.239 7.857 8.230 -0.223 0.000 0.483 299 F N 1.022 120.836 119.950 -0.226 0.000 2.186 299 F HA -0.418 3.959 4.527 -0.250 0.000 0.299 299 F C 1.377 177.061 175.800 -0.192 0.000 1.090 299 F CA 3.166 61.038 58.000 -0.212 0.000 1.307 299 F CB -0.084 38.824 39.000 -0.155 0.000 1.019 299 F HN -0.082 8.252 8.300 0.057 0.000 0.489 300 K N -0.900 119.411 120.400 -0.149 0.000 2.063 300 K HA -0.443 3.744 4.320 -0.221 0.000 0.208 300 K C 2.571 179.027 176.600 -0.241 0.000 1.048 300 K CA 3.847 60.023 56.287 -0.186 0.000 0.928 300 K CB -0.408 32.045 32.500 -0.077 0.000 0.713 300 K HN -0.172 8.053 8.250 -0.041 0.000 0.442 301 G N -1.494 107.171 108.800 -0.226 0.000 2.408 301 G HA2 -0.220 3.699 3.960 -0.069 0.000 0.217 301 G HA3 -0.220 3.695 3.960 -0.076 0.000 0.217 301 G C 1.069 175.732 174.900 -0.396 0.000 1.150 301 G CA 1.808 46.797 45.100 -0.185 0.000 0.776 301 G HN -0.491 7.683 8.290 -0.193 0.000 0.542 302 I N 3.185 123.297 120.570 -0.762 0.000 2.163 302 I HA -0.515 3.290 4.170 -0.608 0.000 0.243 302 I C 1.960 177.797 176.117 -0.467 0.000 1.085 302 I CA 3.961 64.864 61.300 -0.661 0.000 1.347 302 I CB 0.020 37.644 38.000 -0.626 0.000 1.044 302 I HN -0.373 7.373 8.210 -0.774 0.000 0.408 303 L N -2.231 118.639 121.223 -0.588 0.000 2.093 303 L HA -0.428 3.666 4.340 -0.411 0.000 0.208 303 L C 1.902 178.623 176.870 -0.248 0.000 1.085 303 L CA 2.998 57.572 54.840 -0.443 0.000 0.755 303 L CB -0.619 41.143 42.059 -0.495 0.000 0.904 303 L HN -0.207 7.593 8.230 -0.716 0.000 0.435 304 K N -0.491 119.786 120.400 -0.204 0.000 2.026 304 K HA -0.400 3.854 4.320 -0.111 0.000 0.208 304 K C 1.525 178.073 176.600 -0.087 0.000 1.048 304 K CA 3.413 59.629 56.287 -0.118 0.000 0.929 304 K CB -0.232 32.217 32.500 -0.084 0.000 0.713 304 K HN -0.332 7.775 8.250 -0.239 0.000 0.439 305 D N -1.997 118.360 120.400 -0.072 0.000 2.123 305 D HA -0.196 4.428 4.640 -0.028 0.000 0.196 305 D C 2.205 178.466 176.300 -0.065 0.000 0.992 305 D CA 2.759 56.737 54.000 -0.037 0.000 0.833 305 D CB 0.035 40.852 40.800 0.027 0.000 0.954 305 D HN -0.504 7.817 8.370 -0.083 0.000 0.455 306 K N -1.099 119.241 120.400 -0.100 0.000 2.063 306 K HA -0.332 3.940 4.320 -0.081 0.000 0.208 306 K C 2.771 179.324 176.600 -0.079 0.000 1.048 306 K CA 3.082 59.312 56.287 -0.094 0.000 0.928 306 K CB -0.136 32.292 32.500 -0.119 0.000 0.713 306 K HN -0.576 7.596 8.250 -0.131 0.000 0.442 307 K N -0.218 120.133 120.400 -0.082 0.000 2.283 307 K HA -0.152 4.131 4.320 -0.062 0.000 0.202 307 K C 1.434 178.002 176.600 -0.055 0.000 1.048 307 K CA 1.954 58.201 56.287 -0.066 0.000 0.948 307 K CB -0.792 31.669 32.500 -0.066 0.000 0.742 307 K HN -0.286 7.907 8.250 -0.095 0.000 0.458 308 N N -0.269 118.398 118.700 -0.054 0.000 2.235 308 N HA 0.027 4.739 4.740 -0.045 0.000 0.209 308 N C -1.359 174.124 175.510 -0.046 0.000 1.122 308 N CA -0.464 52.558 53.050 -0.048 0.000 0.845 308 N CB 0.023 38.482 38.487 -0.046 0.000 1.004 308 N HN -0.233 nan 8.380 nan 0.000 0.499 309 D N -1.185 119.186 120.400 -0.048 0.000 2.699 309 D HA -0.466 4.144 4.640 -0.049 0.000 0.239 309 D C -1.450 174.823 176.300 -0.046 0.000 1.136 309 D CA 1.345 55.317 54.000 -0.047 0.000 0.668 309 D CB -0.854 39.921 40.800 -0.042 0.000 1.060 309 D HN -0.244 7.918 8.370 -0.052 0.177 0.429 310 I N -2.234 118.309 120.570 -0.045 0.000 2.769 310 I HA 0.241 4.383 4.170 -0.046 0.000 0.298 310 I C -2.572 173.524 176.117 -0.035 0.000 1.128 310 I CA -1.945 59.329 61.300 -0.043 0.000 1.031 310 I CB 3.331 41.305 38.000 -0.043 0.000 1.235 310 I HN -0.515 7.668 8.210 -0.046 0.000 0.423 311 E N 5.558 125.734 120.200 -0.040 0.000 2.241 311 E HA 0.246 4.600 4.350 0.007 0.000 0.263 311 E C -1.166 175.397 176.600 -0.062 0.000 0.882 311 E CA -1.462 54.924 56.400 -0.023 0.000 0.769 311 E CB 2.751 32.435 29.700 -0.027 0.000 1.185 311 E HN 0.156 8.486 8.360 -0.050 0.000 0.415 312 A N 6.765 129.558 122.820 -0.045 0.000 2.483 312 A HA 0.004 4.421 4.320 -0.130 -0.175 0.238 312 A C 1.013 178.416 177.584 -0.300 0.000 1.070 312 A CA 0.439 52.391 52.037 -0.142 0.000 0.770 312 A CB 0.631 19.513 19.000 -0.197 0.000 1.008 312 A HN 0.692 8.867 8.150 0.042 0.000 0.497 313 Q N 3.921 123.550 119.800 -0.285 0.000 2.077 313 Q HA -0.283 3.758 4.340 -0.497 0.000 0.206 313 Q C 0.848 176.299 176.000 -0.916 0.000 0.989 313 Q CA 2.961 58.473 55.803 -0.486 0.000 0.853 313 Q CB 0.574 29.139 28.738 -0.288 0.000 0.907 313 Q HN 0.427 8.862 8.270 -0.181 -0.274 0.418 314 W N -3.432 117.689 121.300 -0.299 0.000 2.570 314 W HA 0.145 4.640 4.660 -0.275 0.000 0.410 314 W C -1.444 174.997 176.519 -0.130 0.000 0.889 314 W CA -0.717 56.508 57.345 -0.200 0.000 2.386 314 W CB -0.449 29.061 29.460 0.083 0.000 1.228 314 W HN -0.476 7.647 8.180 -0.096 0.000 0.692 315 H N -2.156 117.015 119.070 0.168 0.000 1.452 315 H HA -0.590 4.031 4.556 0.108 0.000 0.090 315 H C 1.005 176.477 175.328 0.241 0.000 0.789 315 H CA 2.553 58.690 56.048 0.149 0.000 1.901 315 H CB -1.746 28.074 29.762 0.097 0.000 2.257 315 H HN -0.462 7.288 8.280 -0.580 0.183 0.961 316 D N -0.313 120.287 120.400 0.333 0.000 2.182 316 D HA -0.402 4.386 4.640 0.245 0.000 0.201 316 D C 1.667 178.076 176.300 0.182 0.000 0.986 316 D CA 2.771 56.903 54.000 0.220 0.000 0.847 316 D CB -0.489 40.375 40.800 0.105 0.000 0.942 316 D HN 0.423 8.999 8.370 0.343 0.000 0.467 317 E N -0.527 119.807 120.200 0.224 0.000 2.110 317 E HA -0.340 4.078 4.350 0.112 0.000 0.193 317 E C 1.388 178.067 176.600 0.133 0.000 0.988 317 E CA 2.408 58.913 56.400 0.176 0.000 0.804 317 E CB -0.162 29.692 29.700 0.256 0.000 0.745 317 E HN -0.609 7.901 8.360 0.291 0.024 0.458 318 S N -1.873 113.920 115.700 0.155 0.000 2.368 318 S HA -0.241 4.307 4.470 0.130 0.000 0.225 318 S C 1.597 176.137 174.600 -0.100 0.000 1.030 318 S CA 3.376 61.602 58.200 0.043 0.000 0.999 318 S CB 0.172 63.348 63.200 -0.041 0.000 0.844 318 S HN -0.731 7.700 8.310 0.202 0.000 0.459 319 H N 1.606 120.679 119.070 0.006 0.000 2.357 319 H HA -0.193 4.340 4.556 -0.038 0.000 0.301 319 H C 2.403 177.679 175.328 -0.087 0.000 1.082 319 H CA 3.365 59.386 56.048 -0.044 0.000 1.342 319 H CB 0.123 29.850 29.762 -0.058 0.000 1.389 319 H HN -0.912 7.390 8.280 0.037 0.000 0.511 320 L N 1.346 122.556 121.223 -0.022 0.000 2.046 320 L HA -0.272 3.867 4.340 -0.334 0.000 0.208 320 L C 2.309 179.143 176.870 -0.060 0.000 1.077 320 L CA 3.021 57.745 54.840 -0.194 0.000 0.747 320 L CB -0.539 41.371 42.059 -0.248 0.000 0.896 320 L HN 0.066 8.309 8.230 0.022 0.000 0.432 321 N N -0.437 118.291 118.700 0.046 0.000 2.166 321 N HA -0.219 4.742 4.740 0.369 0.000 0.186 321 N C 2.323 177.846 175.510 0.020 0.000 1.019 321 N CA 2.074 55.207 53.050 0.139 0.000 0.856 321 N CB -0.543 37.992 38.487 0.081 0.000 0.993 321 N HN 0.197 nan 8.380 nan 0.000 0.426 322 K N 0.795 121.149 120.400 -0.076 0.000 2.057 322 K HA -0.278 3.930 4.320 -0.188 0.000 0.207 322 K C 1.423 177.984 176.600 -0.066 0.000 1.049 322 K CA 1.749 57.967 56.287 -0.116 0.000 0.931 322 K CB -0.109 32.326 32.500 -0.109 0.000 0.714 322 K HN -0.433 7.774 8.250 -0.072 0.000 0.440 323 Y N -0.104 120.099 120.300 -0.161 0.000 2.097 323 Y HA -0.392 4.058 4.550 -0.166 0.000 0.282 323 Y C 1.650 177.463 175.900 -0.145 0.000 1.152 323 Y CA 3.512 61.480 58.100 -0.221 0.000 1.136 323 Y CB 0.121 38.338 38.460 -0.405 0.000 0.975 323 Y HN -0.388 7.918 8.280 0.043 0.000 0.498 324 F N -5.496 114.459 119.950 0.007 0.000 2.502 324 F HA -0.178 4.447 4.527 -0.157 -0.192 0.298 324 F C 1.654 177.410 175.800 -0.073 0.000 1.111 324 F CA 1.493 59.448 58.000 -0.075 0.000 1.445 324 F CB 0.525 39.427 39.000 -0.163 0.000 1.081 324 F HN -0.555 7.803 8.300 0.096 0.000 0.558 325 L N 1.123 122.409 121.223 0.106 0.000 2.056 325 L HA -0.216 4.141 4.340 0.029 0.000 0.207 325 L C 1.061 177.841 176.870 -0.150 0.000 1.078 325 L CA 3.159 57.986 54.840 -0.021 0.000 0.749 325 L CB 0.035 42.040 42.059 -0.090 0.000 0.901 325 L HN -0.462 7.802 8.230 0.101 0.026 0.433 326 L N -2.430 118.667 121.223 -0.210 0.000 2.131 326 L HA -0.123 4.096 4.340 -0.201 0.000 0.206 326 L C 0.995 177.678 176.870 -0.310 0.000 1.087 326 L CA 1.507 56.197 54.840 -0.250 0.000 0.767 326 L CB -0.240 41.662 42.059 -0.261 0.000 0.917 326 L HN -0.665 7.438 8.230 -0.213 0.000 0.441 327 N N 1.139 119.593 118.700 -0.410 0.000 2.746 327 N HA 0.233 4.795 4.740 -0.296 0.000 0.250 327 N C -1.742 173.645 175.510 -0.205 0.000 1.146 327 N CA -0.704 52.118 53.050 -0.380 0.000 0.828 327 N CB 0.267 38.347 38.487 -0.678 0.000 1.158 327 N HN -0.073 nan 8.380 nan 0.000 0.519 328 K N 3.299 123.511 120.400 -0.314 0.000 2.448 328 K HA 0.242 4.494 4.320 -0.417 -0.182 0.278 328 K C -1.335 175.173 176.600 -0.154 0.000 1.009 328 K CA -1.805 54.193 56.287 -0.481 0.000 0.995 328 K CB -0.615 31.094 32.500 -1.319 0.000 0.917 328 K HN 0.217 8.256 8.250 -0.351 0.000 0.481 329 P HA 0.197 4.612 4.420 -0.009 0.000 0.271 329 P C 0.567 177.992 177.300 0.208 0.000 1.218 329 P CA -0.585 62.479 63.100 -0.060 0.000 0.780 329 P CB 0.917 32.303 31.700 -0.522 0.000 0.901 330 T N -2.877 111.762 114.554 0.141 0.000 3.113 330 T HA -0.131 4.372 4.350 0.254 0.000 0.256 330 T C -0.176 174.577 174.700 0.089 0.000 1.131 330 T CA 0.929 63.130 62.100 0.168 0.000 1.074 330 T CB 0.428 69.377 68.868 0.135 0.000 0.944 330 T HN 0.017 8.316 8.240 0.098 0.000 0.516 331 K N -0.134 120.278 120.400 0.021 0.000 2.542 331 K HA 0.397 4.798 4.320 -0.068 -0.121 0.259 331 K C -2.865 173.671 176.600 -0.107 0.000 0.932 331 K CA -0.567 55.690 56.287 -0.052 0.000 0.820 331 K CB 3.309 35.777 32.500 -0.054 0.000 1.345 331 K HN -0.777 7.427 8.250 0.006 0.050 0.432 332 I N 3.622 124.105 120.570 -0.146 0.000 2.509 332 I HA 0.655 4.920 4.170 -0.158 -0.190 0.293 332 I C -1.591 174.394 176.117 -0.220 0.000 1.020 332 I CA -1.717 59.480 61.300 -0.172 0.000 1.088 332 I CB 3.872 41.752 38.000 -0.199 0.000 1.267 332 I HN 0.208 8.322 8.210 -0.159 0.000 0.430 333 L N 4.554 125.642 121.223 -0.224 0.000 2.307 333 L HA 0.367 4.445 4.340 -0.437 0.000 0.282 333 L C -0.189 176.498 176.870 -0.306 0.000 1.051 333 L CA -1.333 53.299 54.840 -0.346 0.000 0.804 333 L CB 0.595 42.392 42.059 -0.436 0.000 1.197 333 L HN 0.480 8.619 8.230 -0.151 0.000 0.431 334 S N 2.923 118.337 115.700 -0.477 0.000 2.589 334 S HA 0.189 4.101 4.470 -0.929 0.000 0.265 334 S C 0.132 174.460 174.600 -0.452 0.000 1.342 334 S CA -1.542 56.125 58.200 -0.888 0.000 1.005 334 S CB -0.167 61.878 63.200 -1.924 0.000 0.909 334 S HN -0.087 7.964 8.310 -0.431 0.000 0.555 335 P HA -0.032 4.432 4.420 0.072 0.000 0.228 335 P C 1.097 178.369 177.300 -0.047 0.000 1.151 335 P CA 1.713 64.749 63.100 -0.107 0.000 0.770 335 P CB -0.017 31.641 31.700 -0.070 0.000 0.786 336 E N 0.078 120.110 120.200 -0.280 0.000 2.209 336 E HA -0.333 3.835 4.350 -0.304 0.000 0.196 336 E C 1.987 178.440 176.600 -0.245 0.000 0.993 336 E CA 3.077 59.305 56.400 -0.287 0.000 0.819 336 E CB -0.596 28.902 29.700 -0.335 0.000 0.745 336 E HN -0.355 7.690 8.360 -0.454 0.042 0.477 337 Y N -4.005 116.225 120.300 -0.117 0.000 2.546 337 Y HA -0.070 4.443 4.550 -0.062 0.000 0.287 337 Y C -0.237 175.744 175.900 0.134 0.000 1.158 337 Y CA 2.562 60.627 58.100 -0.058 0.000 1.307 337 Y CB 0.607 38.923 38.460 -0.240 0.000 1.036 337 Y HN -0.470 7.805 8.280 0.051 0.036 0.532 338 C N 0.613 120.087 119.300 0.291 0.000 3.280 338 C HA 0.174 4.942 4.460 0.339 -0.104 0.334 338 C C -1.850 173.437 174.990 0.495 0.000 0.977 338 C CA -0.735 58.521 59.018 0.397 0.000 1.264 338 C CB 0.113 28.109 27.740 0.426 0.000 1.688 338 C HN -0.361 7.848 8.230 0.249 0.170 0.592 339 W N 5.896 127.227 121.300 0.052 0.000 2.520 339 W HA 0.363 4.867 4.660 -0.260 0.000 0.323 339 W C -2.498 173.693 176.519 -0.546 0.000 1.062 339 W CA -0.852 56.326 57.345 -0.278 0.000 1.215 339 W CB 3.404 32.600 29.460 -0.440 0.000 1.340 339 W HN 0.643 9.014 8.180 0.319 0.000 0.516 340 D N 6.701 125.935 120.400 -1.944 0.000 2.396 340 D HA 0.156 4.048 4.640 -1.246 0.000 0.225 340 D C -0.196 175.280 176.300 -1.373 0.000 1.121 340 D CA -2.269 50.685 54.000 -1.743 0.000 0.853 340 D CB 0.755 40.301 40.800 -2.090 0.000 1.043 340 D HN 0.358 7.333 8.370 -2.325 0.000 0.500 341 Y N 6.102 126.086 120.300 -0.526 0.000 2.569 341 Y HA -0.296 4.222 4.550 -0.054 0.000 0.293 341 Y C 1.930 177.736 175.900 -0.158 0.000 1.144 341 Y CA 2.024 60.022 58.100 -0.170 0.000 1.321 341 Y CB -0.298 38.184 38.460 0.036 0.000 0.982 341 Y HN 0.655 8.724 8.280 -0.351 0.000 0.558 342 H N 1.156 120.119 119.070 -0.177 0.000 2.489 342 H HA -0.204 4.349 4.556 -0.005 0.000 0.293 342 H C 0.909 176.113 175.328 -0.207 0.000 1.066 342 H CA 2.900 58.899 56.048 -0.082 0.000 1.305 342 H CB -0.409 29.391 29.762 0.064 0.000 1.386 342 H HN -0.257 8.236 8.280 -0.074 -0.258 0.551 343 I N -3.770 116.429 120.570 -0.618 0.000 2.493 343 I HA -0.329 3.352 4.170 -0.815 0.000 0.254 343 I C 0.409 176.371 176.117 -0.258 0.000 1.160 343 I CA 1.009 61.870 61.300 -0.733 0.000 1.445 343 I CB 0.540 37.854 38.000 -1.144 0.000 1.086 343 I HN -0.468 7.254 8.210 -0.753 0.036 0.433 344 G N -1.039 107.731 108.800 -0.050 0.000 2.472 344 G HA2 -0.284 3.708 3.960 0.053 0.000 0.205 344 G HA3 -0.284 3.742 3.960 0.110 0.000 0.205 344 G C -2.998 172.105 174.900 0.337 0.000 1.270 344 G CA -0.647 44.520 45.100 0.112 0.000 0.974 344 G HN -0.508 7.566 8.290 -0.064 0.178 0.542 345 L N 0.976 122.325 121.223 0.209 0.000 2.492 345 L HA 0.491 4.897 4.340 0.110 0.000 0.258 345 L C -1.963 174.908 176.870 0.001 0.000 1.028 345 L CA -2.522 52.390 54.840 0.120 0.000 0.900 345 L CB 1.458 43.590 42.059 0.120 0.000 1.191 345 L HN -0.053 8.255 8.230 0.131 0.000 0.459 346 P HA 0.335 4.747 4.420 -0.013 0.000 0.281 346 P C 0.116 177.367 177.300 -0.081 0.000 1.281 346 P CA -1.041 62.040 63.100 -0.032 0.000 0.811 346 P CB 1.188 32.903 31.700 0.025 0.000 1.154 347 A N -0.430 122.360 122.820 -0.050 0.000 1.940 347 A HA -0.310 3.972 4.320 -0.064 0.000 0.219 347 A C 1.423 178.959 177.584 -0.080 0.000 1.176 347 A CA 2.556 54.556 52.037 -0.061 0.000 0.631 347 A CB -0.053 18.919 19.000 -0.047 0.000 0.814 347 A HN 0.378 8.510 8.150 -0.030 0.000 0.446 348 D N -4.504 115.857 120.400 -0.065 0.000 2.312 348 D HA -0.076 4.494 4.640 -0.117 0.000 0.211 348 D C -0.283 175.983 176.300 -0.056 0.000 0.964 348 D CA 1.671 55.630 54.000 -0.068 0.000 0.877 348 D CB 0.008 40.828 40.800 0.034 0.000 0.924 348 D HN 0.089 8.408 8.370 -0.036 0.029 0.515 349 I N -1.125 119.321 120.570 -0.206 0.000 2.276 349 I HA 0.003 4.021 4.170 -0.253 0.000 0.290 349 I C -0.743 175.225 176.117 -0.247 0.000 1.109 349 I CA -1.958 59.121 61.300 -0.368 0.000 1.229 349 I CB -2.335 35.096 38.000 -0.948 0.000 1.452 349 I HN -0.661 7.361 8.210 -0.225 0.054 0.497 350 K N 5.784 126.110 120.400 -0.123 0.000 2.242 350 K HA -0.036 4.230 4.320 -0.091 0.000 0.200 350 K C -0.046 176.504 176.600 -0.084 0.000 1.050 350 K CA 0.018 56.256 56.287 -0.083 0.000 0.981 350 K CB 1.065 33.544 32.500 -0.034 0.000 0.795 350 K HN 0.248 8.775 8.250 -0.069 -0.319 0.477 351 L N -1.239 119.921 121.223 -0.105 0.000 2.596 351 L HA 0.169 4.465 4.340 -0.073 0.000 0.265 351 L C -2.316 174.459 176.870 -0.157 0.000 0.962 351 L CA -0.121 54.663 54.840 -0.094 0.000 0.891 351 L CB 2.026 44.054 42.059 -0.051 0.000 1.248 351 L HN -0.891 7.266 8.230 -0.121 0.000 0.410 352 V N 7.182 127.017 119.914 -0.131 0.000 2.508 352 V HA -0.099 4.044 4.120 -0.214 -0.152 0.281 352 V C 0.043 176.067 176.094 -0.115 0.000 1.041 352 V CA 0.545 62.760 62.300 -0.141 0.000 1.016 352 V CB -0.228 31.558 31.823 -0.061 0.000 0.984 352 V HN 0.442 8.584 8.190 -0.080 0.000 0.478 353 K N 6.643 126.936 120.400 -0.178 0.000 2.334 353 K HA 0.116 4.385 4.320 -0.085 0.000 0.195 353 K C -0.793 175.852 176.600 0.074 0.000 1.045 353 K CA 1.204 57.437 56.287 -0.090 0.000 1.004 353 K CB 1.136 33.489 32.500 -0.247 0.000 0.837 353 K HN 0.644 8.747 8.250 -0.244 0.000 0.510 354 M N -2.993 116.641 119.600 0.056 0.000 2.365 354 M HA 0.464 5.120 4.480 -0.005 -0.179 0.287 354 M C -2.259 174.104 176.300 0.104 0.000 1.154 354 M CA -0.374 54.946 55.300 0.033 0.000 0.941 354 M CB 5.342 37.930 32.600 -0.019 0.000 1.704 354 M HN -0.704 7.602 8.290 0.028 0.000 0.479 355 S N 1.104 116.884 115.700 0.134 0.000 2.536 355 S HA 0.858 5.633 4.470 0.156 -0.212 0.298 355 S C -0.411 174.370 174.600 0.301 0.000 1.083 355 S CA -1.828 56.485 58.200 0.189 0.000 0.995 355 S CB 2.689 66.031 63.200 0.236 0.000 1.058 355 S HN 0.544 8.920 8.310 0.110 0.000 0.488 356 W N 1.058 122.363 121.300 0.008 0.000 2.181 356 W HA 0.012 4.685 4.660 0.022 0.000 0.335 356 W C 0.755 177.298 176.519 0.040 0.000 1.310 356 W CA -1.323 56.038 57.345 0.026 0.000 1.226 356 W CB -0.387 29.095 29.460 0.037 0.000 1.155 356 W HN 0.057 8.497 8.180 0.434 0.000 0.565 357 Q N 1.698 121.623 119.800 0.209 0.000 2.340 357 Q HA 0.041 4.495 4.340 0.191 0.000 0.249 357 Q C 0.542 176.642 176.000 0.167 0.000 0.957 357 Q CA -0.262 55.633 55.803 0.154 0.000 0.882 357 Q CB 0.938 29.696 28.738 0.033 0.000 1.235 357 Q HN -0.028 8.312 8.270 0.117 0.000 0.439 358 T N 4.386 119.029 114.554 0.149 0.000 2.946 358 T HA -0.194 4.206 4.350 0.085 0.000 0.311 358 T C 0.128 174.843 174.700 0.024 0.000 1.063 358 T CA 1.065 63.215 62.100 0.082 0.000 1.139 358 T CB 0.823 69.724 68.868 0.055 0.000 0.994 358 T HN 0.074 8.409 8.240 0.158 0.000 0.547 359 K N 3.775 124.117 120.400 -0.097 0.000 2.326 359 K HA -0.062 4.098 4.320 -0.267 0.000 0.275 359 K C 0.152 176.590 176.600 -0.270 0.000 1.018 359 K CA 0.093 56.185 56.287 -0.325 0.000 0.962 359 K CB 0.074 32.140 32.500 -0.723 0.000 0.953 359 K HN 0.214 8.410 8.250 -0.090 0.000 0.475 360 E N 2.501 122.563 120.200 -0.230 0.000 3.729 360 E HA 0.214 4.508 4.350 -0.093 0.000 0.195 360 E C 0.422 176.994 176.600 -0.047 0.000 1.005 360 E CA -0.317 56.026 56.400 -0.094 0.000 1.356 360 E CB 0.294 30.002 29.700 0.014 0.000 1.138 360 E HN 0.431 8.643 8.360 -0.247 0.000 0.450 361 Y N 1.398 121.644 120.300 -0.089 0.000 2.207 361 Y HA -0.523 3.918 4.550 -0.181 0.000 0.287 361 Y C 2.648 178.483 175.900 -0.107 0.000 1.156 361 Y CA 1.653 59.670 58.100 -0.138 0.000 1.182 361 Y CB -0.168 38.204 38.460 -0.147 0.000 0.979 361 Y HN 0.041 8.163 8.280 -0.265 0.000 0.521 362 N N -0.439 118.312 118.700 0.085 0.000 2.272 362 N HA -0.182 4.591 4.740 0.055 0.000 0.185 362 N C 0.888 176.406 175.510 0.013 0.000 1.014 362 N CA 1.477 54.554 53.050 0.045 0.000 0.870 362 N CB -0.413 38.095 38.487 0.034 0.000 0.975 362 N HN 0.253 nan 8.380 nan 0.000 0.433 363 V N -3.089 116.811 119.914 -0.024 0.000 2.788 363 V HA 0.021 4.123 4.120 -0.031 0.000 0.241 363 V C 0.924 176.932 176.094 -0.144 0.000 1.083 363 V CA 0.816 63.076 62.300 -0.067 0.000 1.103 363 V CB 1.236 33.023 31.823 -0.060 0.000 0.800 363 V HN -0.404 7.730 8.190 -0.026 0.040 0.476 364 V N -7.996 111.785 119.914 -0.221 0.000 3.235 364 V HA -0.032 3.901 4.120 -0.312 0.000 0.259 364 V C -0.469 175.626 176.094 0.002 0.000 1.133 364 V CA 0.513 62.643 62.300 -0.284 0.000 1.128 364 V CB 0.202 31.627 31.823 -0.665 0.000 0.757 364 V HN -0.443 7.637 8.190 -0.182 0.000 0.469 365 R N 0.101 120.607 120.500 0.010 0.000 2.532 365 R HA 0.182 4.597 4.340 0.125 0.000 0.295 365 R C 0.202 176.540 176.300 0.064 0.000 0.968 365 R CA -0.116 56.003 56.100 0.032 0.000 0.916 365 R CB 0.974 31.132 30.300 -0.237 0.000 1.124 365 R HN -0.899 7.357 8.270 -0.022 0.000 0.463 366 N N 1.251 120.026 118.700 0.125 0.000 2.204 366 N HA 0.162 4.951 4.740 0.082 0.000 0.219 366 N C -0.706 174.882 175.510 0.129 0.000 1.151 366 N CA -0.231 52.884 53.050 0.108 0.000 0.867 366 N CB 0.393 38.935 38.487 0.091 0.000 1.043 366 N HN 0.182 nan 8.380 nan 0.000 0.516 367 N N -0.736 118.091 118.700 0.211 0.000 2.494 367 N HA 0.171 4.987 4.740 0.126 0.000 0.270 367 N C -1.421 174.252 175.510 0.272 0.000 1.285 367 N CA -0.623 52.539 53.050 0.187 0.000 0.812 367 N CB 1.750 40.311 38.487 0.124 0.000 1.557 367 N HN -0.378 nan 8.380 nan 0.000 0.487 368 V N 0.000 120.021 119.914 0.178 0.000 2.409 368 V HA 0.000 4.263 4.120 0.238 0.000 0.244 368 V CA 0.000 62.420 62.300 0.200 0.000 1.235 368 V CB 0.000 31.887 31.823 0.107 0.000 1.184 368 V HN 0.000 8.262 8.190 0.120 0.000 0.556