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 3mlx_1_H DATA FIRST_RESID 1 DATA SEQUENCE QVQLQESGPG LVKPSETLSL TcTVSGGSIS GFHWSWIRQP PGKGLEYIGY DATA SEQUENCE IYYSGSTSYN PSLKSRVSMS VDTSRNQFSL EVTAADTAVY YcARDFGEYF DATA SEQUENCE DLWGQGTLVT VSSASTKGPS VFPLAPSSKS TSGGTAALGc LVKDYFPEPV DATA SEQUENCE TVSWNSGALT SGVHTFPAVL QSSGLYSLSS VVTVPSSSLG TQTYIcNVNH DATA SEQUENCE KPSNTKVDKK VEPK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 1 Q C 0.000 176.022 176.000 0.037 0.000 1.003 1 Q CA 0.000 55.822 55.803 0.032 0.000 1.022 1 Q CB 0.000 28.754 28.738 0.027 0.000 1.108 2 V N 3.766 123.703 119.914 0.038 0.000 2.585 2 V HA 0.076 4.199 4.120 0.005 0.000 0.296 2 V C 0.287 176.420 176.094 0.066 0.000 1.035 2 V CA 0.836 63.164 62.300 0.048 0.000 1.084 2 V CB 0.801 32.648 31.823 0.040 0.000 0.953 2 V HN 0.139 8.329 8.190 -0.000 0.000 0.483 3 Q N 4.531 124.371 119.800 0.067 0.000 2.375 3 Q HA 0.674 5.017 4.340 0.005 0.000 0.271 3 Q C -1.337 174.710 176.000 0.078 0.000 1.074 3 Q CA -0.782 55.067 55.803 0.076 0.000 0.808 3 Q CB 2.900 31.673 28.738 0.059 0.000 1.327 3 Q HN 0.587 8.857 8.270 -0.000 0.000 0.441 4 L N 1.728 123.010 121.223 0.099 0.000 2.329 4 L HA 0.571 4.914 4.340 0.005 0.000 0.279 4 L C -0.644 176.261 176.870 0.058 0.000 1.014 4 L CA -0.898 53.988 54.840 0.077 0.000 0.814 4 L CB 1.760 43.897 42.059 0.131 0.000 1.257 4 L HN 0.509 8.739 8.230 -0.000 0.000 0.424 5 Q N 1.993 121.799 119.800 0.009 0.000 2.274 5 Q HA 0.353 4.697 4.340 0.005 0.000 0.268 5 Q C -1.314 174.691 176.000 0.008 0.000 1.015 5 Q CA -0.492 55.326 55.803 0.025 0.000 0.775 5 Q CB 1.934 30.684 28.738 0.021 0.000 1.256 5 Q HN 0.490 8.760 8.270 -0.000 0.000 0.442 6 E N 0.903 121.139 120.200 0.059 0.000 2.349 6 E HA 0.597 4.950 4.350 0.005 0.000 0.265 6 E C -0.893 175.751 176.600 0.073 0.000 1.064 6 E CA -0.171 56.296 56.400 0.112 0.000 0.886 6 E CB 1.209 31.032 29.700 0.204 0.000 1.036 6 E HN 0.543 8.903 8.360 -0.000 0.000 0.413 7 S N 0.244 115.983 115.700 0.066 0.000 2.733 7 S HA 0.821 5.294 4.470 0.005 0.000 0.294 7 S C -0.266 174.323 174.600 -0.019 0.000 1.149 7 S CA -0.745 57.464 58.200 0.016 0.000 1.034 7 S CB 1.427 64.627 63.200 -0.001 0.000 1.015 7 S HN 0.591 8.901 8.310 -0.000 0.000 0.486 8 G N 1.933 110.711 108.800 -0.036 0.000 2.694 8 G HA2 0.729 4.692 3.960 0.005 0.000 0.290 8 G HA3 0.729 4.692 3.960 0.005 0.000 0.290 8 G C -1.853 173.005 174.900 -0.069 0.000 1.386 8 G CA -1.353 43.696 45.100 -0.086 0.000 0.872 8 G HN 0.526 8.816 8.290 -0.000 0.000 0.475 9 P HA 0.095 4.515 4.420 -0.000 0.000 0.222 9 P C 1.454 178.730 177.300 -0.040 0.000 1.153 9 P CA 1.765 64.827 63.100 -0.063 0.000 0.798 9 P CB 0.432 32.084 31.700 -0.080 0.000 0.796 10 G N 0.550 109.323 108.800 -0.044 0.000 4.890 10 G HA2 -0.232 3.731 3.960 0.005 0.000 0.221 10 G HA3 -0.232 3.731 3.960 0.005 0.000 0.221 10 G C -0.178 174.720 174.900 -0.004 0.000 1.472 10 G CA 0.085 45.178 45.100 -0.011 0.000 0.962 10 G HN 0.359 8.649 8.290 -0.000 0.000 0.671 11 L N 1.010 122.232 121.223 -0.001 0.000 2.325 11 L HA 0.770 5.113 4.340 0.005 0.000 0.278 11 L C -0.240 176.612 176.870 -0.029 0.000 1.023 11 L CA -1.104 53.739 54.840 0.006 0.000 0.811 11 L CB 2.092 44.170 42.059 0.033 0.000 1.249 11 L HN 0.261 8.491 8.230 -0.000 0.000 0.431 12 V N 2.515 122.405 119.914 -0.040 0.000 2.808 12 V HA 0.352 4.475 4.120 0.005 0.000 0.308 12 V C -0.473 175.586 176.094 -0.059 0.000 1.099 12 V CA -1.162 61.102 62.300 -0.061 0.000 0.920 12 V CB 2.161 33.931 31.823 -0.088 0.000 1.014 12 V HN 0.555 8.745 8.190 -0.000 0.000 0.425 13 K N 4.954 125.319 120.400 -0.059 0.000 2.298 13 K HA 0.329 4.652 4.320 0.005 0.000 0.280 13 K C -2.452 174.110 176.600 -0.063 0.000 1.032 13 K CA -1.720 54.531 56.287 -0.061 0.000 0.958 13 K CB 0.956 33.425 32.500 -0.053 0.000 0.978 13 K HN 0.378 8.628 8.250 -0.000 0.000 0.472 14 P HA -0.106 4.314 4.420 -0.000 0.000 0.267 14 P C 0.413 177.681 177.300 -0.054 0.000 1.200 14 P CA 0.511 63.575 63.100 -0.061 0.000 0.772 14 P CB 0.695 32.357 31.700 -0.064 0.000 0.855 15 S N -0.724 114.945 115.700 -0.051 0.000 2.261 15 S HA -0.193 4.280 4.470 0.005 0.000 0.247 15 S C 0.268 174.837 174.600 -0.051 0.000 1.195 15 S CA 0.945 59.117 58.200 -0.047 0.000 1.464 15 S CB -2.193 60.982 63.200 -0.042 0.000 1.835 15 S HN 0.598 8.908 8.310 -0.000 0.000 0.598 16 E N 1.397 121.563 120.200 -0.057 0.000 2.602 16 E HA 0.528 4.881 4.350 0.005 0.000 0.255 16 E C -0.276 176.279 176.600 -0.076 0.000 1.268 16 E CA -0.185 56.177 56.400 -0.062 0.000 1.007 16 E CB 0.396 30.059 29.700 -0.061 0.000 1.208 16 E HN 0.378 8.738 8.360 -0.000 0.000 0.584 17 T N 1.381 115.885 114.554 -0.084 0.000 2.799 17 T HA 0.313 4.666 4.350 0.005 0.000 0.286 17 T C -0.260 174.359 174.700 -0.135 0.000 0.973 17 T CA -0.517 61.520 62.100 -0.106 0.000 1.035 17 T CB 0.361 69.170 68.868 -0.099 0.000 0.932 17 T HN 0.250 8.490 8.240 -0.000 0.000 0.469 18 L N 2.958 124.076 121.223 -0.175 0.000 2.265 18 L HA 0.607 4.950 4.340 0.005 0.000 0.288 18 L C -0.476 176.225 176.870 -0.281 0.000 1.058 18 L CA -0.101 54.594 54.840 -0.241 0.000 0.809 18 L CB 0.709 42.583 42.059 -0.308 0.000 1.179 18 L HN 0.520 8.750 8.230 -0.000 0.000 0.429 19 S N 6.389 121.929 115.700 -0.267 0.000 2.552 19 S HA 0.676 5.149 4.470 0.005 0.000 0.314 19 S C -0.589 173.824 174.600 -0.311 0.000 1.099 19 S CA -0.555 57.484 58.200 -0.268 0.000 1.070 19 S CB 1.426 64.521 63.200 -0.174 0.000 0.998 19 S HN 0.544 8.854 8.310 -0.000 0.000 0.474 20 L N 2.062 123.032 121.223 -0.421 0.000 2.354 20 L HA 0.730 5.073 4.340 0.005 0.000 0.264 20 L C -0.285 176.435 176.870 -0.249 0.000 1.008 20 L CA -0.643 53.944 54.840 -0.422 0.000 0.819 20 L CB 2.568 44.147 42.059 -0.800 0.000 1.339 20 L HN 0.492 8.722 8.230 -0.000 0.000 0.420 21 T N 0.014 114.556 114.554 -0.020 0.000 2.909 21 T HA 0.355 4.709 4.350 0.005 0.000 0.299 21 T C -1.485 173.285 174.700 0.116 0.000 1.073 21 T CA -0.376 61.765 62.100 0.070 0.000 0.999 21 T CB 2.052 70.911 68.868 -0.014 0.000 1.098 21 T HN 0.620 8.860 8.240 -0.000 0.000 0.477 22 c N 2.738 121.239 118.600 -0.166 0.000 2.369 22 c HA 0.748 5.321 4.570 0.005 0.000 0.322 22 c C -0.019 173.868 174.090 -0.338 0.000 1.258 22 c CA -0.179 55.901 56.329 -0.415 0.000 1.487 22 c CB 0.001 41.800 42.510 -1.184 0.000 2.165 22 c HN 0.929 9.159 8.230 -0.000 0.000 0.483 23 T N 5.318 119.763 114.554 -0.181 0.000 2.758 23 T HA 0.451 4.804 4.350 0.005 0.000 0.285 23 T C -0.328 174.307 174.700 -0.109 0.000 0.981 23 T CA -0.234 61.791 62.100 -0.124 0.000 0.965 23 T CB 1.123 69.953 68.868 -0.064 0.000 0.927 23 T HN 0.562 8.802 8.240 -0.000 0.000 0.448 24 V N 4.478 124.314 119.914 -0.131 0.000 2.383 24 V HA 0.600 4.723 4.120 0.005 0.000 0.275 24 V C 0.297 176.364 176.094 -0.045 0.000 1.036 24 V CA -0.606 61.632 62.300 -0.104 0.000 0.889 24 V CB 1.143 32.822 31.823 -0.239 0.000 0.985 24 V HN 1.065 9.255 8.190 -0.000 0.000 0.459 25 S N 2.461 118.158 115.700 -0.005 0.000 2.599 25 S HA 0.799 5.272 4.470 0.005 0.000 0.294 25 S C 0.669 175.283 174.600 0.023 0.000 1.094 25 S CA -0.084 58.120 58.200 0.006 0.000 0.931 25 S CB 1.857 65.062 63.200 0.007 0.000 1.093 25 S HN 2.005 10.315 8.310 -0.000 0.000 0.488 26 G N -0.142 108.671 108.800 0.021 0.000 2.155 26 G HA2 0.254 4.217 3.960 0.005 0.000 0.257 26 G HA3 0.254 4.217 3.960 0.005 0.000 0.257 26 G C 0.604 175.525 174.900 0.034 0.000 0.983 26 G CA 0.251 45.367 45.100 0.027 0.000 0.676 26 G HN 1.864 10.154 8.290 -0.000 0.000 0.528 27 G N -1.935 106.888 108.800 0.038 0.000 2.427 27 G HA2 0.912 4.875 3.960 0.005 0.000 0.306 27 G HA3 0.912 4.875 3.960 0.005 0.000 0.306 27 G C -0.563 174.374 174.900 0.061 0.000 1.280 27 G CA 0.699 45.833 45.100 0.057 0.000 0.837 27 G HN 1.883 10.173 8.290 -0.000 0.000 0.482 28 S N -1.293 114.473 115.700 0.110 0.000 2.607 28 S HA 0.580 5.053 4.470 0.005 0.000 0.273 28 S C 0.733 175.469 174.600 0.227 0.000 1.148 28 S CA -0.780 57.480 58.200 0.100 0.000 0.833 28 S CB 1.571 64.812 63.200 0.069 0.000 1.130 28 S HN 0.496 8.806 8.310 -0.000 0.000 0.470 29 I N 1.231 121.860 120.570 0.100 0.000 2.315 29 I HA -0.050 4.123 4.170 0.005 0.000 0.248 29 I C 1.752 178.137 176.117 0.446 0.000 1.117 29 I CA 1.128 62.534 61.300 0.177 0.000 1.404 29 I CB -1.326 36.621 38.000 -0.087 0.000 1.071 29 I HN 0.874 9.084 8.210 -0.000 0.000 0.419 30 S N 0.844 116.620 115.700 0.127 0.000 2.642 30 S HA 0.092 4.565 4.470 0.005 0.000 0.308 30 S C 1.395 175.847 174.600 -0.247 0.000 1.255 30 S CA 0.932 58.974 58.200 -0.264 0.000 1.057 30 S CB -0.010 63.026 63.200 -0.274 0.000 0.785 30 S HN 0.777 9.087 8.310 -0.000 0.000 0.500 31 G N 3.239 111.546 108.800 -0.821 0.000 2.184 31 G HA2 -0.251 3.712 3.960 0.005 0.000 0.264 31 G HA3 -0.251 3.712 3.960 0.005 0.000 0.264 31 G C -0.034 174.563 174.900 -0.506 0.000 0.975 31 G CA 0.544 45.304 45.100 -0.566 0.000 0.642 31 G HN 0.660 8.950 8.290 -0.000 0.000 0.536 32 F N -0.950 119.003 119.950 0.006 0.000 2.620 32 F HA 0.721 5.253 4.527 0.008 0.000 0.320 32 F C 0.372 176.072 175.800 -0.167 0.000 1.069 32 F CA -1.133 56.791 58.000 -0.125 0.000 0.953 32 F CB 1.443 40.160 39.000 -0.472 0.000 1.322 32 F HN 0.026 8.326 8.300 -0.000 0.000 0.479 33 H N -0.530 118.518 119.070 -0.036 0.000 2.463 33 H HA 0.427 4.985 4.556 0.004 0.000 0.332 33 H C -1.479 173.586 175.328 -0.439 0.000 1.127 33 H CA -0.598 55.431 56.048 -0.031 0.000 1.238 33 H CB 0.965 30.602 29.762 -0.208 0.000 1.478 33 H HN 0.435 8.715 8.280 -0.000 0.000 0.499 34 W N 1.104 122.395 121.300 -0.014 0.000 2.761 34 W HA 0.649 5.310 4.660 0.002 0.000 0.340 34 W C -0.451 175.948 176.519 -0.200 0.000 1.072 34 W CA -0.473 56.646 57.345 -0.377 0.000 1.215 34 W CB 1.745 30.399 29.460 -1.344 0.000 1.420 34 W HN 0.412 8.592 8.180 -0.000 0.000 0.519 35 S N 0.243 116.005 115.700 0.104 0.000 2.667 35 S HA 0.614 5.087 4.470 0.005 0.000 0.292 35 S C -1.907 172.715 174.600 0.037 0.000 1.126 35 S CA -0.790 57.529 58.200 0.198 0.000 0.881 35 S CB 1.377 64.782 63.200 0.342 0.000 1.132 35 S HN 0.398 8.708 8.310 -0.000 0.000 0.492 36 W N 1.132 122.534 121.300 0.170 0.000 2.702 36 W HA 0.727 5.390 4.660 0.005 0.000 0.331 36 W C -1.111 175.393 176.519 -0.026 0.000 1.049 36 W CA -0.332 57.096 57.345 0.138 0.000 1.230 36 W CB 0.992 30.566 29.460 0.191 0.000 1.408 36 W HN 0.307 8.487 8.180 -0.000 0.000 0.492 37 I N 3.480 124.176 120.570 0.210 0.000 2.647 37 I HA 0.513 4.686 4.170 0.005 0.000 0.295 37 I C -0.248 175.995 176.117 0.210 0.000 1.078 37 I CA -1.168 60.196 61.300 0.107 0.000 1.048 37 I CB 1.916 39.871 38.000 -0.075 0.000 1.239 37 I HN 0.407 8.617 8.210 -0.000 0.000 0.421 38 R N 3.887 124.410 120.500 0.038 0.000 2.854 38 R HA 0.823 5.166 4.340 0.005 0.000 0.271 38 R C -1.167 175.108 176.300 -0.043 0.000 0.994 38 R CA -0.969 55.008 56.100 -0.204 0.000 0.945 38 R CB 1.939 31.762 30.300 -0.795 0.000 1.194 38 R HN 0.603 8.873 8.270 -0.000 0.000 0.476 39 Q N 2.117 121.878 119.800 -0.064 0.000 2.350 39 Q HA 0.359 4.702 4.340 0.005 0.000 0.255 39 Q C -2.524 173.467 176.000 -0.014 0.000 0.951 39 Q CA -2.248 53.575 55.803 0.035 0.000 0.751 39 Q CB 2.476 31.323 28.738 0.182 0.000 1.296 39 Q HN 0.472 8.742 8.270 -0.000 0.000 0.453 40 P HA 0.108 4.528 4.420 -0.000 0.000 0.269 40 P C -2.590 174.726 177.300 0.026 0.000 1.215 40 P CA -1.141 61.957 63.100 -0.004 0.000 0.780 40 P CB -0.034 31.665 31.700 -0.001 0.000 0.898 41 P HA -0.086 4.334 4.420 -0.000 0.000 0.261 41 P C 1.008 178.339 177.300 0.052 0.000 1.183 41 P CA 1.266 64.398 63.100 0.053 0.000 0.761 41 P CB -0.342 31.399 31.700 0.067 0.000 0.785 42 G N 2.530 111.364 108.800 0.056 0.000 2.189 42 G HA2 -0.265 3.698 3.960 0.005 0.000 0.267 42 G HA3 -0.265 3.698 3.960 0.005 0.000 0.267 42 G C 0.250 175.178 174.900 0.045 0.000 0.975 42 G CA 0.457 45.589 45.100 0.052 0.000 0.644 42 G HN 0.580 8.870 8.290 -0.000 0.000 0.537 43 K N -0.323 120.104 120.400 0.044 0.000 2.380 43 K HA 0.638 4.961 4.320 0.005 0.000 0.243 43 K C 1.141 177.769 176.600 0.047 0.000 1.071 43 K CA -0.514 55.797 56.287 0.040 0.000 0.942 43 K CB 0.731 33.250 32.500 0.032 0.000 1.324 43 K HN 0.218 8.468 8.250 -0.000 0.000 0.517 44 G N 0.337 109.165 108.800 0.046 0.000 2.621 44 G HA2 0.365 4.328 3.960 0.005 0.000 0.271 44 G HA3 0.365 4.328 3.960 0.005 0.000 0.271 44 G C -0.549 174.395 174.900 0.072 0.000 1.236 44 G CA -0.670 44.464 45.100 0.057 0.000 0.958 44 G HN 0.270 8.560 8.290 -0.000 0.000 0.512 45 L N -0.210 121.069 121.223 0.092 0.000 2.307 45 L HA 0.466 4.809 4.340 0.005 0.000 0.282 45 L C 0.215 177.162 176.870 0.129 0.000 1.051 45 L CA -0.333 54.583 54.840 0.126 0.000 0.804 45 L CB 1.640 43.794 42.059 0.158 0.000 1.197 45 L HN 0.590 8.820 8.230 -0.000 0.000 0.431 46 E N 2.657 122.931 120.200 0.123 0.000 2.244 46 E HA 0.170 4.523 4.350 0.005 0.000 0.260 46 E C -1.537 175.166 176.600 0.170 0.000 0.884 46 E CA -0.774 55.708 56.400 0.136 0.000 0.777 46 E CB 1.442 31.190 29.700 0.081 0.000 1.197 46 E HN 0.461 8.821 8.360 -0.000 0.000 0.416 47 Y N 5.250 125.606 120.300 0.094 0.000 2.425 47 Y HA 0.177 4.730 4.550 0.004 0.000 0.331 47 Y C 0.219 176.204 175.900 0.142 0.000 1.157 47 Y CA 0.335 58.501 58.100 0.109 0.000 1.372 47 Y CB 0.638 39.214 38.460 0.192 0.000 1.253 47 Y HN 0.631 8.911 8.280 -0.000 0.000 0.536 48 I N 4.046 124.390 120.570 -0.376 0.000 3.172 48 I HA 0.342 4.515 4.170 0.005 0.000 0.278 48 I C 1.128 176.952 176.117 -0.489 0.000 1.174 48 I CA 0.723 61.864 61.300 -0.264 0.000 1.445 48 I CB 0.226 38.227 38.000 0.001 0.000 1.175 48 I HN 0.858 9.068 8.210 -0.000 0.000 0.447 49 G N -0.081 108.186 108.800 -0.889 0.000 2.324 49 G HA2 0.302 4.265 3.960 0.005 0.000 0.293 49 G HA3 0.302 4.265 3.960 0.005 0.000 0.293 49 G C -2.069 172.858 174.900 0.045 0.000 1.297 49 G CA -0.498 44.331 45.100 -0.452 0.000 0.853 49 G HN 0.044 8.334 8.290 -0.000 0.000 0.535 50 Y N -1.188 119.253 120.300 0.236 0.000 2.581 50 Y HA 0.892 5.445 4.550 0.005 0.000 0.345 50 Y C -1.009 175.038 175.900 0.245 0.000 1.036 50 Y CA -2.173 56.094 58.100 0.278 0.000 1.042 50 Y CB 1.858 40.506 38.460 0.313 0.000 1.289 50 Y HN 0.875 9.155 8.280 -0.000 0.000 0.471 51 I N 2.805 123.734 120.570 0.597 0.000 2.607 51 I HA 0.392 4.565 4.170 0.005 0.000 0.290 51 I C -1.828 174.595 176.117 0.510 0.000 1.129 51 I CA -0.963 60.620 61.300 0.472 0.000 1.042 51 I CB 1.525 39.730 38.000 0.342 0.000 1.242 51 I HN 0.806 9.016 8.210 -0.000 0.000 0.421 52 Y N 7.063 127.523 120.300 0.268 0.000 2.300 52 Y HA 0.136 4.688 4.550 0.004 0.000 0.328 52 Y C 0.737 176.658 175.900 0.034 0.000 1.270 52 Y CA -0.544 57.556 58.100 -0.000 0.000 1.352 52 Y CB 0.769 39.145 38.460 -0.140 0.000 1.286 52 Y HN 0.630 8.910 8.280 -0.000 0.000 0.536 53 Y N 0.545 120.667 120.300 -0.297 0.000 2.298 53 Y HA -0.177 4.376 4.550 0.005 0.000 0.287 53 Y C 1.888 177.669 175.900 -0.199 0.000 1.164 53 Y CA 1.556 59.533 58.100 -0.205 0.000 1.229 53 Y CB -1.104 37.198 38.460 -0.263 0.000 0.977 53 Y HN 0.419 8.699 8.280 -0.000 0.000 0.538 54 S N -0.934 114.064 115.700 -1.171 0.000 2.522 54 S HA 0.325 4.798 4.470 0.005 0.000 0.227 54 S C 1.802 176.276 174.600 -0.210 0.000 0.986 54 S CA 0.477 58.243 58.200 -0.724 0.000 0.929 54 S CB -0.300 62.452 63.200 -0.748 0.000 0.769 54 S HN 1.116 9.426 8.310 -0.000 0.000 0.529 55 G N 1.083 109.839 108.800 -0.073 0.000 2.284 55 G HA2 -0.219 3.744 3.960 0.005 0.000 0.201 55 G HA3 -0.219 3.744 3.960 0.005 0.000 0.201 55 G C 0.200 175.154 174.900 0.091 0.000 0.998 55 G CA -0.112 45.012 45.100 0.040 0.000 0.651 55 G HN 1.231 9.521 8.290 -0.000 0.000 0.489 56 S N 0.931 116.703 115.700 0.120 0.000 2.560 56 S HA 0.574 5.047 4.470 0.005 0.000 0.284 56 S C 0.365 175.044 174.600 0.131 0.000 1.327 56 S CA 0.997 59.271 58.200 0.123 0.000 1.055 56 S CB 1.545 64.842 63.200 0.162 0.000 0.868 56 S HN 1.700 10.010 8.310 -0.000 0.000 0.506 57 T N -1.682 112.846 114.554 -0.044 0.000 2.864 57 T HA 0.774 5.127 4.350 0.005 0.000 0.289 57 T C -0.577 173.770 174.700 -0.588 0.000 1.082 57 T CA -0.844 61.085 62.100 -0.286 0.000 1.009 57 T CB 1.742 70.334 68.868 -0.461 0.000 1.234 57 T HN 0.886 9.126 8.240 -0.000 0.000 0.526 58 S N 0.208 115.340 115.700 -0.946 0.000 2.626 58 S HA 0.568 5.041 4.470 0.005 0.000 0.275 58 S C -1.970 172.265 174.600 -0.607 0.000 1.175 58 S CA -0.798 56.904 58.200 -0.831 0.000 0.982 58 S CB 0.391 62.959 63.200 -1.052 0.000 1.093 58 S HN 0.681 8.991 8.310 -0.000 0.000 0.472 59 Y N 2.392 122.629 120.300 -0.105 0.000 2.509 59 Y HA 0.480 5.033 4.550 0.004 0.000 0.341 59 Y C 0.718 176.643 175.900 0.043 0.000 1.038 59 Y CA -1.293 56.778 58.100 -0.048 0.000 1.089 59 Y CB 0.925 39.363 38.460 -0.035 0.000 1.241 59 Y HN 0.606 8.886 8.280 -0.000 0.000 0.468 60 N N 3.133 121.978 118.700 0.241 0.000 2.440 60 N HA 0.014 4.757 4.740 0.005 0.000 0.265 60 N C -2.027 173.583 175.510 0.166 0.000 1.239 60 N CA -1.215 51.984 53.050 0.249 0.000 0.909 60 N CB 1.178 39.797 38.487 0.220 0.000 1.066 60 N HN 0.373 8.753 8.380 -0.000 0.000 0.474 61 P HA -0.163 4.257 4.420 -0.000 0.000 0.217 61 P C 1.133 178.478 177.300 0.075 0.000 1.148 61 P CA 1.451 64.609 63.100 0.096 0.000 0.834 61 P CB 0.099 31.845 31.700 0.077 0.000 0.783 62 S N -1.928 113.819 115.700 0.078 0.000 2.515 62 S HA -0.007 4.466 4.470 0.005 0.000 0.231 62 S C 1.418 176.042 174.600 0.039 0.000 0.987 62 S CA 0.780 59.013 58.200 0.056 0.000 0.936 62 S CB -0.939 62.297 63.200 0.060 0.000 0.766 62 S HN 0.144 8.454 8.310 -0.000 0.000 0.528 63 L N 0.457 121.704 121.223 0.040 0.000 2.966 63 L HA 0.300 4.643 4.340 0.005 0.000 0.262 63 L C 2.007 178.864 176.870 -0.022 0.000 1.165 63 L CA -0.082 54.760 54.840 0.002 0.000 0.978 63 L CB 0.078 42.130 42.059 -0.011 0.000 1.337 63 L HN 0.295 8.525 8.230 -0.000 0.000 0.563 64 K N 0.575 120.991 120.400 0.026 0.000 2.160 64 K HA -0.176 4.147 4.320 0.005 0.000 0.206 64 K C 1.828 178.429 176.600 0.000 0.000 1.047 64 K CA 1.920 58.233 56.287 0.043 0.000 0.930 64 K CB -0.473 32.088 32.500 0.102 0.000 0.720 64 K HN 0.291 8.541 8.250 -0.000 0.000 0.450 65 S N 0.234 115.930 115.700 -0.006 0.000 2.607 65 S HA 0.090 4.563 4.470 0.005 0.000 0.224 65 S C 1.417 175.993 174.600 -0.041 0.000 0.969 65 S CA -0.160 58.032 58.200 -0.014 0.000 0.927 65 S CB 0.012 63.209 63.200 -0.006 0.000 0.772 65 S HN 0.429 8.739 8.310 -0.000 0.000 0.533 66 R N -0.593 119.865 120.500 -0.070 0.000 2.544 66 R HA 0.409 4.752 4.340 0.005 0.000 0.303 66 R C -0.444 175.765 176.300 -0.152 0.000 0.939 66 R CA 0.032 56.077 56.100 -0.092 0.000 1.102 66 R CB 1.071 31.328 30.300 -0.073 0.000 1.440 66 R HN 0.341 8.611 8.270 -0.000 0.000 0.532 67 V N 1.247 121.022 119.914 -0.233 0.000 2.881 67 V HA 0.701 4.824 4.120 0.005 0.000 0.316 67 V C -1.054 174.673 176.094 -0.610 0.000 1.070 67 V CA -0.399 61.669 62.300 -0.387 0.000 0.976 67 V CB 2.073 33.636 31.823 -0.434 0.000 1.038 67 V HN 0.335 8.525 8.190 -0.000 0.000 0.446 68 S N 5.709 121.089 115.700 -0.534 0.000 2.537 68 S HA 0.774 5.247 4.470 0.005 0.000 0.271 68 S C -1.191 173.331 174.600 -0.131 0.000 1.148 68 S CA -0.888 57.079 58.200 -0.388 0.000 0.868 68 S CB 1.667 64.800 63.200 -0.112 0.000 1.115 68 S HN 0.704 9.014 8.310 -0.000 0.000 0.461 69 M N 2.264 121.974 119.600 0.183 0.000 2.572 69 M HA 0.697 5.181 4.480 0.005 0.000 0.299 69 M C -0.710 175.763 176.300 0.288 0.000 1.205 69 M CA -0.428 55.047 55.300 0.292 0.000 0.876 69 M CB 2.744 35.646 32.600 0.504 0.000 1.728 69 M HN 1.030 9.320 8.290 -0.000 0.000 0.458 70 S N 0.675 116.538 115.700 0.272 0.000 2.661 70 S HA 0.894 5.367 4.470 0.005 0.000 0.285 70 S C -1.484 173.269 174.600 0.254 0.000 1.138 70 S CA -0.865 57.464 58.200 0.215 0.000 0.855 70 S CB 2.244 65.527 63.200 0.137 0.000 1.136 70 S HN 0.665 8.975 8.310 -0.000 0.000 0.484 71 V N 0.588 120.614 119.914 0.186 0.000 2.841 71 V HA 0.695 4.818 4.120 0.005 0.000 0.310 71 V C -1.985 174.173 176.094 0.107 0.000 1.090 71 V CA -0.513 61.892 62.300 0.175 0.000 0.930 71 V CB 2.114 34.028 31.823 0.151 0.000 1.014 71 V HN 1.095 9.285 8.190 -0.000 0.000 0.425 72 D N 3.386 123.837 120.400 0.085 0.000 2.404 72 D HA 0.255 4.898 4.640 0.005 0.000 0.267 72 D C 1.201 177.522 176.300 0.035 0.000 1.194 72 D CA 0.414 54.445 54.000 0.052 0.000 0.910 72 D CB 1.557 42.380 40.800 0.038 0.000 1.090 72 D HN 0.768 9.138 8.370 -0.000 0.000 0.511 73 T N -0.584 113.997 114.554 0.044 0.000 2.849 73 T HA -0.228 4.125 4.350 0.005 0.000 0.270 73 T C 1.881 176.592 174.700 0.020 0.000 1.066 73 T CA 1.603 63.726 62.100 0.038 0.000 1.130 73 T CB -0.262 68.649 68.868 0.071 0.000 0.864 73 T HN 0.264 8.504 8.240 -0.000 0.000 0.481 74 S N 1.789 117.501 115.700 0.020 0.000 2.419 74 S HA -0.050 4.423 4.470 0.005 0.000 0.233 74 S C 2.041 176.643 174.600 0.004 0.000 1.016 74 S CA 0.477 58.685 58.200 0.012 0.000 0.974 74 S CB -0.377 62.831 63.200 0.014 0.000 0.786 74 S HN 0.631 8.941 8.310 -0.000 0.000 0.492 75 R N 0.590 121.090 120.500 0.000 0.000 2.397 75 R HA 0.319 4.662 4.340 0.005 0.000 0.241 75 R C -0.220 176.066 176.300 -0.024 0.000 0.914 75 R CA 0.045 56.140 56.100 -0.009 0.000 1.071 75 R CB 0.069 30.365 30.300 -0.008 0.000 1.116 75 R HN 0.286 8.556 8.270 -0.000 0.000 0.524 76 N N 2.269 120.952 118.700 -0.028 0.000 2.738 76 N HA -0.185 4.559 4.740 0.005 0.000 0.249 76 N C -1.074 174.378 175.510 -0.097 0.000 1.047 76 N CA 1.163 54.175 53.050 -0.063 0.000 0.707 76 N CB -0.695 37.757 38.487 -0.058 0.000 0.937 76 N HN 0.468 8.848 8.380 -0.000 0.000 0.545 77 Q N -0.364 119.402 119.800 -0.057 0.000 2.423 77 Q HA 0.734 5.077 4.340 0.005 0.000 0.278 77 Q C -0.564 175.475 176.000 0.065 0.000 1.097 77 Q CA -0.875 54.895 55.803 -0.056 0.000 0.809 77 Q CB 1.878 30.587 28.738 -0.048 0.000 1.391 77 Q HN 0.303 8.573 8.270 -0.000 0.000 0.428 78 F N -1.977 117.927 119.950 -0.077 0.000 2.599 78 F HA 0.870 5.399 4.527 0.004 0.000 0.311 78 F C -0.839 175.110 175.800 0.248 0.000 1.076 78 F CA -0.705 57.322 58.000 0.044 0.000 0.937 78 F CB 1.718 40.709 39.000 -0.015 0.000 1.282 78 F HN 0.348 8.648 8.300 -0.000 0.000 0.460 79 S N 1.652 117.589 115.700 0.396 0.000 2.709 79 S HA 0.831 5.304 4.470 0.005 0.000 0.302 79 S C -1.843 172.908 174.600 0.252 0.000 1.127 79 S CA -0.750 57.615 58.200 0.275 0.000 0.905 79 S CB 2.084 65.333 63.200 0.081 0.000 1.151 79 S HN 0.851 9.161 8.310 -0.000 0.000 0.510 80 L N 1.157 122.250 121.223 -0.218 0.000 2.431 80 L HA 0.672 5.015 4.340 0.005 0.000 0.266 80 L C -1.246 175.400 176.870 -0.374 0.000 0.978 80 L CA -0.004 54.557 54.840 -0.465 0.000 0.822 80 L CB 1.873 43.168 42.059 -1.273 0.000 1.310 80 L HN 0.733 8.963 8.230 -0.000 0.000 0.409 81 E N 3.354 123.388 120.200 -0.276 0.000 2.293 81 E HA 0.826 5.179 4.350 0.005 0.000 0.270 81 E C -1.730 174.731 176.600 -0.231 0.000 0.879 81 E CA -0.698 55.564 56.400 -0.230 0.000 0.756 81 E CB 2.712 32.322 29.700 -0.151 0.000 1.208 81 E HN 0.629 8.989 8.360 -0.000 0.000 0.428 82 V N -0.806 119.074 119.914 -0.057 0.000 3.062 82 V HA 0.659 4.782 4.120 0.005 0.000 0.261 82 V C -0.844 175.225 176.094 -0.042 0.000 1.772 82 V CA -0.744 61.527 62.300 -0.049 0.000 0.967 82 V CB 1.105 32.891 31.823 -0.061 0.000 1.331 82 V HN 0.823 9.013 8.190 -0.000 0.000 0.459 83 T N -0.426 114.109 114.554 -0.032 0.000 2.804 83 T HA 0.856 5.209 4.350 0.005 0.000 0.290 83 T C 1.148 175.830 174.700 -0.029 0.000 1.099 83 T CA -0.022 62.057 62.100 -0.035 0.000 1.011 83 T CB 1.620 70.469 68.868 -0.031 0.000 1.291 83 T HN 2.283 10.524 8.240 -0.000 0.000 0.523 84 A N 0.190 122.985 122.820 -0.040 0.000 2.076 84 A HA 0.234 4.557 4.320 0.005 0.000 0.220 84 A C 2.425 179.997 177.584 -0.020 0.000 1.160 84 A CA 1.946 53.958 52.037 -0.041 0.000 0.653 84 A CB -1.500 17.462 19.000 -0.064 0.000 0.801 84 A HN 1.373 9.523 8.150 -0.000 0.000 0.455 85 A N -0.472 122.340 122.820 -0.015 0.000 2.121 85 A HA -0.091 4.232 4.320 0.005 0.000 0.218 85 A C 1.382 178.975 177.584 0.016 0.000 1.154 85 A CA 1.446 53.480 52.037 -0.003 0.000 0.679 85 A CB -0.252 18.745 19.000 -0.004 0.000 0.795 85 A HN 0.475 8.625 8.150 -0.000 0.000 0.458 86 D N -0.461 119.959 120.400 0.033 0.000 2.339 86 D HA 0.038 4.681 4.640 0.005 0.000 0.217 86 D C -0.090 176.298 176.300 0.146 0.000 1.050 86 D CA 0.348 54.404 54.000 0.093 0.000 0.856 86 D CB 0.014 40.868 40.800 0.089 0.000 0.922 86 D HN 0.162 8.532 8.370 -0.000 0.000 0.518 87 T N 1.569 116.171 114.554 0.080 0.000 2.817 87 T HA 0.444 4.797 4.350 0.005 0.000 0.295 87 T C 0.174 174.925 174.700 0.086 0.000 0.958 87 T CA 0.069 62.224 62.100 0.092 0.000 1.157 87 T CB 0.824 69.717 68.868 0.042 0.000 0.898 87 T HN 0.169 8.409 8.240 -0.000 0.000 0.536 88 A N 3.203 126.105 122.820 0.137 0.000 2.522 88 A HA 0.554 4.877 4.320 0.005 0.000 0.291 88 A C -1.128 176.481 177.584 0.043 0.000 1.039 88 A CA -0.800 51.244 52.037 0.012 0.000 0.643 88 A CB 0.651 19.545 19.000 -0.176 0.000 1.310 88 A HN 0.545 8.695 8.150 -0.000 0.000 0.436 89 V N 1.317 121.187 119.914 -0.074 0.000 2.461 89 V HA 0.402 4.525 4.120 0.005 0.000 0.275 89 V C -0.985 174.946 176.094 -0.273 0.000 1.047 89 V CA 0.180 62.400 62.300 -0.134 0.000 0.955 89 V CB 0.391 32.060 31.823 -0.256 0.000 0.988 89 V HN 0.631 8.821 8.190 -0.000 0.000 0.471 90 Y N 4.600 124.782 120.300 -0.196 0.000 2.341 90 Y HA 0.603 5.156 4.550 0.005 0.000 0.337 90 Y C -0.282 175.615 175.900 -0.005 0.000 1.014 90 Y CA -0.691 57.401 58.100 -0.014 0.000 1.111 90 Y CB 1.229 39.727 38.460 0.064 0.000 1.194 90 Y HN 0.524 8.804 8.280 -0.000 0.000 0.462 91 Y N 1.510 122.064 120.300 0.422 0.000 2.468 91 Y HA 0.577 5.128 4.550 0.002 0.000 0.342 91 Y C 0.094 176.081 175.900 0.144 0.000 1.021 91 Y CA -1.412 56.880 58.100 0.320 0.000 1.079 91 Y CB 1.307 39.998 38.460 0.386 0.000 1.226 91 Y HN 0.674 8.954 8.280 -0.000 0.000 0.460 92 c N 0.584 119.191 118.600 0.012 0.000 2.399 92 c HA 1.042 5.615 4.570 0.005 0.000 0.348 92 c C 0.028 174.042 174.090 -0.125 0.000 1.183 92 c CA -0.817 55.238 56.329 -0.457 0.000 2.023 92 c CB 0.493 42.395 42.510 -1.014 0.000 2.361 92 c HN 1.048 9.278 8.230 -0.000 0.000 0.521 93 A N 1.497 124.270 122.820 -0.079 0.000 2.610 93 A HA 0.848 5.171 4.320 0.005 0.000 0.291 93 A C -1.049 176.554 177.584 0.031 0.000 1.086 93 A CA -0.732 51.204 52.037 -0.168 0.000 0.677 93 A CB 1.181 19.682 19.000 -0.833 0.000 1.278 93 A HN 1.017 9.167 8.150 -0.000 0.000 0.414 94 R N 0.479 120.912 120.500 -0.112 0.000 2.474 94 R HA 0.528 4.871 4.340 0.005 0.000 0.295 94 R C -1.343 174.814 176.300 -0.238 0.000 0.980 94 R CA -0.473 55.345 56.100 -0.470 0.000 0.934 94 R CB 0.822 30.726 30.300 -0.660 0.000 1.101 94 R HN 0.780 9.050 8.270 -0.000 0.000 0.469 95 D N 3.101 123.328 120.400 -0.288 0.000 2.326 95 D HA 0.395 5.038 4.640 0.005 0.000 0.248 95 D C -0.659 175.572 176.300 -0.115 0.000 1.001 95 D CA -0.043 53.799 54.000 -0.263 0.000 0.961 95 D CB 1.216 41.859 40.800 -0.261 0.000 1.183 95 D HN 0.364 8.734 8.370 -0.000 0.000 0.502 96 F N -2.256 117.536 119.950 -0.265 0.000 2.686 96 F HA 0.819 5.348 4.527 0.003 0.000 0.311 96 F C 0.041 175.687 175.800 -0.255 0.000 1.128 96 F CA -0.716 57.170 58.000 -0.189 0.000 0.946 96 F CB 1.488 40.417 39.000 -0.119 0.000 1.336 96 F HN 0.551 8.851 8.300 -0.000 0.000 0.457 97 G N 0.524 109.365 108.800 0.068 0.000 2.512 97 G HA2 0.366 4.329 3.960 0.005 0.000 0.181 97 G HA3 0.366 4.329 3.960 0.005 0.000 0.181 97 G C -2.127 172.756 174.900 -0.028 0.000 1.173 97 G CA -0.466 44.598 45.100 -0.060 0.000 0.988 97 G HN 1.007 9.297 8.290 -0.000 0.000 0.485 98 E N -0.987 119.164 120.200 -0.082 0.000 2.222 98 E HA 0.594 4.947 4.350 0.005 0.000 0.267 98 E C -1.412 175.165 176.600 -0.038 0.000 0.884 98 E CA -0.895 55.480 56.400 -0.042 0.000 0.764 98 E CB 2.024 31.691 29.700 -0.055 0.000 1.169 98 E HN 0.482 8.842 8.360 -0.000 0.000 0.413 99 Y N 4.813 125.041 120.300 -0.120 0.000 2.734 99 Y HA 0.352 4.905 4.550 0.005 0.000 0.278 99 Y C -1.603 174.247 175.900 -0.084 0.000 1.108 99 Y CA -0.605 57.420 58.100 -0.125 0.000 1.211 99 Y CB 0.222 38.614 38.460 -0.114 0.000 1.182 99 Y HN 0.347 8.627 8.280 -0.000 0.000 0.547 100 F N 1.112 120.800 119.950 -0.436 0.000 2.403 100 F HA 0.281 4.810 4.527 0.004 0.000 0.355 100 F C 0.876 176.839 175.800 0.271 0.000 1.119 100 F CA -1.240 56.626 58.000 -0.223 0.000 1.007 100 F CB 0.973 39.640 39.000 -0.555 0.000 1.194 100 F HN 0.141 8.441 8.300 -0.000 0.000 0.443 101 D N 1.416 122.087 120.400 0.451 0.000 2.277 101 D HA 0.026 4.669 4.640 0.005 0.000 0.209 101 D C 0.171 176.673 176.300 0.336 0.000 0.970 101 D CA 0.725 54.976 54.000 0.419 0.000 0.874 101 D CB 0.412 41.364 40.800 0.254 0.000 0.982 101 D HN 0.246 8.616 8.370 -0.000 0.000 0.504 102 L N 0.337 121.683 121.223 0.204 0.000 2.341 102 L HA 0.430 4.773 4.340 0.005 0.000 0.278 102 L C -1.450 175.532 176.870 0.187 0.000 1.005 102 L CA -0.565 54.405 54.840 0.216 0.000 0.818 102 L CB 1.905 44.022 42.059 0.097 0.000 1.259 102 L HN -0.049 8.181 8.230 -0.000 0.000 0.418 103 W N 2.220 123.577 121.300 0.095 0.000 2.844 103 W HA 0.722 5.392 4.660 0.018 0.000 0.340 103 W C 0.567 177.152 176.519 0.111 0.000 1.093 103 W CA -0.745 56.649 57.345 0.082 0.000 1.212 103 W CB 1.610 31.062 29.460 -0.014 0.000 1.422 103 W HN 0.658 8.838 8.180 -0.000 0.000 0.515 104 G N 0.381 109.403 108.800 0.370 0.000 2.588 104 G HA2 0.134 4.097 3.960 0.005 0.000 0.278 104 G HA3 0.134 4.097 3.960 0.005 0.000 0.278 104 G C 0.226 175.355 174.900 0.382 0.000 1.307 104 G CA -0.369 44.905 45.100 0.290 0.000 1.016 104 G HN 0.605 8.895 8.290 -0.000 0.000 0.503 105 Q N -0.730 119.243 119.800 0.289 0.000 2.432 105 Q HA 0.260 4.603 4.340 0.005 0.000 0.205 105 Q C 1.118 177.324 176.000 0.344 0.000 0.945 105 Q CA 0.555 56.531 55.803 0.288 0.000 0.924 105 Q CB 0.248 29.088 28.738 0.170 0.000 1.016 105 Q HN 1.001 9.271 8.270 -0.000 0.000 0.503 106 G N 0.805 109.774 108.800 0.282 0.000 2.777 106 G HA2 -0.189 3.774 3.960 0.005 0.000 0.686 106 G HA3 -0.189 3.774 3.960 0.005 0.000 0.686 106 G C -0.687 174.188 174.900 -0.041 0.000 1.177 106 G CA -0.183 44.854 45.100 -0.104 0.000 0.775 106 G HN 0.058 8.348 8.290 -0.000 0.000 0.613 107 T N 1.099 115.629 114.554 -0.039 0.000 2.881 107 T HA 0.559 4.912 4.350 0.005 0.000 0.290 107 T C -0.185 174.536 174.700 0.036 0.000 1.000 107 T CA -0.477 61.636 62.100 0.022 0.000 0.978 107 T CB 1.163 70.063 68.868 0.054 0.000 0.997 107 T HN 1.578 9.818 8.240 -0.000 0.000 0.443 108 L N 6.695 127.937 121.223 0.032 0.000 2.361 108 L HA 0.612 4.955 4.340 0.005 0.000 0.278 108 L C -0.872 176.039 176.870 0.068 0.000 1.113 108 L CA 0.173 55.049 54.840 0.061 0.000 0.849 108 L CB 0.609 42.700 42.059 0.053 0.000 1.155 108 L HN 0.461 8.691 8.230 -0.000 0.000 0.452 109 V N 4.704 124.687 119.914 0.115 0.000 2.357 109 V HA 0.429 4.552 4.120 0.005 0.000 0.284 109 V C 0.093 176.233 176.094 0.076 0.000 1.018 109 V CA -0.492 61.834 62.300 0.042 0.000 0.841 109 V CB 1.477 33.246 31.823 -0.090 0.000 0.991 109 V HN 0.844 9.034 8.190 -0.000 0.000 0.437 110 T N 4.611 119.196 114.554 0.052 0.000 2.758 110 T HA 0.414 4.768 4.350 0.005 0.000 0.285 110 T C -0.122 174.593 174.700 0.024 0.000 0.981 110 T CA -0.315 61.825 62.100 0.067 0.000 0.965 110 T CB 1.430 70.370 68.868 0.120 0.000 0.927 110 T HN 0.318 8.558 8.240 -0.000 0.000 0.448 111 V N 4.079 123.995 119.914 0.004 0.000 2.339 111 V HA 0.633 4.756 4.120 0.005 0.000 0.261 111 V C 0.263 176.316 176.094 -0.070 0.000 1.058 111 V CA -0.147 62.132 62.300 -0.034 0.000 0.897 111 V CB 0.418 32.220 31.823 -0.034 0.000 1.052 111 V HN 0.959 9.149 8.190 -0.000 0.000 0.480 112 S N 2.901 118.545 115.700 -0.093 0.000 2.552 112 S HA 0.299 4.772 4.470 0.005 0.000 0.272 112 S C 0.932 175.429 174.600 -0.171 0.000 1.150 112 S CA 0.099 58.187 58.200 -0.187 0.000 0.849 112 S CB 1.967 64.983 63.200 -0.306 0.000 1.113 112 S HN 0.840 9.150 8.310 -0.000 0.000 0.458 113 S N 2.432 118.005 115.700 -0.212 0.000 2.453 113 S HA 0.282 4.755 4.470 0.005 0.000 0.231 113 S C 1.497 176.020 174.600 -0.129 0.000 1.005 113 S CA 1.086 59.199 58.200 -0.145 0.000 0.949 113 S CB -0.623 62.496 63.200 -0.135 0.000 0.774 113 S HN 2.387 10.697 8.310 -0.000 0.000 0.510 114 A N 0.084 122.760 122.820 -0.240 0.000 3.021 114 A HA -0.156 4.167 4.320 0.005 0.000 0.257 114 A C 0.695 178.313 177.584 0.057 0.000 1.277 114 A CA 0.674 52.678 52.037 -0.055 0.000 1.012 114 A CB -2.735 16.320 19.000 0.091 0.000 1.147 114 A HN 0.660 8.810 8.150 -0.000 0.000 0.861 115 S N 1.371 117.034 115.700 -0.062 0.000 2.537 115 S HA 0.381 4.854 4.470 0.005 0.000 0.286 115 S C 0.692 175.410 174.600 0.198 0.000 1.299 115 S CA 0.643 58.870 58.200 0.045 0.000 1.067 115 S CB 0.660 63.855 63.200 -0.009 0.000 0.864 115 S HN 0.581 8.891 8.310 -0.000 0.000 0.494 116 T N 4.506 119.191 114.554 0.219 0.000 2.779 116 T HA 0.225 4.578 4.350 0.005 0.000 0.296 116 T C 0.127 174.977 174.700 0.249 0.000 0.938 116 T CA -0.015 62.259 62.100 0.289 0.000 1.119 116 T CB 0.122 69.103 68.868 0.189 0.000 0.891 116 T HN 0.456 8.696 8.240 -0.000 0.000 0.526 117 K N 2.440 123.033 120.400 0.323 0.000 2.471 117 K HA 0.556 4.879 4.320 0.005 0.000 0.252 117 K C 0.250 176.960 176.600 0.183 0.000 0.938 117 K CA -0.707 55.708 56.287 0.214 0.000 0.796 117 K CB 1.358 33.956 32.500 0.163 0.000 1.161 117 K HN 0.724 8.974 8.250 -0.000 0.000 0.425 118 G N 4.101 112.983 108.800 0.136 0.000 2.503 118 G HA2 0.299 4.262 3.960 0.005 0.000 0.257 118 G HA3 0.299 4.262 3.960 0.005 0.000 0.257 118 G C -2.411 172.476 174.900 -0.021 0.000 1.214 118 G CA -0.958 44.184 45.100 0.070 0.000 0.839 118 G HN 0.459 8.749 8.290 -0.000 0.000 0.559 119 P HA 0.291 4.711 4.420 -0.000 0.000 0.281 119 P C -0.438 176.798 177.300 -0.107 0.000 1.264 119 P CA -0.461 62.614 63.100 -0.042 0.000 0.824 119 P CB 1.701 33.373 31.700 -0.046 0.000 1.092 120 S N -0.042 115.560 115.700 -0.163 0.000 2.541 120 S HA 0.386 4.859 4.470 0.005 0.000 0.283 120 S C -0.200 174.072 174.600 -0.547 0.000 1.196 120 S CA -0.551 57.423 58.200 -0.377 0.000 1.062 120 S CB 0.591 63.513 63.200 -0.463 0.000 1.009 120 S HN 0.190 8.500 8.310 -0.000 0.000 0.502 121 V N 4.688 124.259 119.914 -0.572 0.000 2.378 121 V HA 0.473 4.596 4.120 0.005 0.000 0.288 121 V C -1.167 174.651 176.094 -0.460 0.000 1.016 121 V CA -0.566 61.479 62.300 -0.425 0.000 0.840 121 V CB 0.406 32.094 31.823 -0.226 0.000 0.994 121 V HN 0.705 8.895 8.190 -0.000 0.000 0.431 122 F N 6.637 126.595 119.950 0.013 0.000 2.436 122 F HA 0.597 5.127 4.527 0.005 0.000 0.340 122 F C -1.991 173.827 175.800 0.031 0.000 1.113 122 F CA -3.023 54.989 58.000 0.020 0.000 1.022 122 F CB 1.741 40.755 39.000 0.023 0.000 1.128 122 F HN 0.279 8.579 8.300 -0.000 0.000 0.466 123 P HA 0.242 4.662 4.420 -0.000 0.000 0.280 123 P C -0.933 176.465 177.300 0.162 0.000 1.244 123 P CA -0.191 63.009 63.100 0.168 0.000 0.784 123 P CB 1.424 33.208 31.700 0.140 0.000 0.913 124 L N 2.700 124.020 121.223 0.162 0.000 2.321 124 L HA 0.431 4.774 4.340 0.005 0.000 0.272 124 L C 0.973 177.902 176.870 0.098 0.000 1.050 124 L CA -0.881 54.029 54.840 0.116 0.000 0.893 124 L CB 0.711 42.837 42.059 0.110 0.000 1.272 124 L HN 0.380 8.610 8.230 -0.000 0.000 0.435 125 A N 5.467 128.333 122.820 0.077 0.000 2.498 125 A HA 0.423 4.746 4.320 0.005 0.000 0.239 125 A C -1.985 175.617 177.584 0.030 0.000 1.068 125 A CA -0.765 51.309 52.037 0.061 0.000 0.766 125 A CB -0.375 18.658 19.000 0.054 0.000 1.003 125 A HN 0.443 8.593 8.150 -0.000 0.000 0.497 126 P HA 0.155 4.575 4.420 -0.000 0.000 0.271 126 P C 0.093 177.392 177.300 -0.001 0.000 1.218 126 P CA -0.060 63.034 63.100 -0.009 0.000 0.780 126 P CB 0.900 32.584 31.700 -0.027 0.000 0.901 127 S N 1.599 117.294 115.700 -0.008 0.000 2.634 127 S HA 0.263 4.736 4.470 0.005 0.000 0.261 127 S C 0.283 174.881 174.600 -0.003 0.000 1.271 127 S CA -0.631 57.566 58.200 -0.004 0.000 0.985 127 S CB -0.075 63.120 63.200 -0.008 0.000 0.968 127 S HN 0.422 8.732 8.310 -0.000 0.000 0.568 128 S N 1.100 116.799 115.700 -0.000 0.000 2.528 128 S HA 0.415 4.888 4.470 0.005 0.000 0.277 128 S C -0.385 174.214 174.600 -0.001 0.000 1.297 128 S CA -0.616 57.584 58.200 0.001 0.000 1.052 128 S CB 0.035 63.236 63.200 0.003 0.000 0.917 128 S HN 0.607 8.917 8.310 -0.000 0.000 0.492 129 K N 1.733 122.132 120.400 -0.001 0.000 2.588 129 K HA 0.310 4.633 4.320 0.005 0.000 0.250 129 K C -0.375 176.226 176.600 0.000 0.000 0.972 129 K CA -0.406 55.880 56.287 -0.002 0.000 0.821 129 K CB 1.841 34.337 32.500 -0.005 0.000 1.249 129 K HN 0.696 8.946 8.250 -0.000 0.000 0.442 130 S N 0.563 116.263 115.700 0.001 0.000 2.646 130 S HA 0.359 4.832 4.470 0.005 0.000 0.273 130 S C -0.165 174.436 174.600 0.002 0.000 1.168 130 S CA -0.318 57.884 58.200 0.002 0.000 1.013 130 S CB 0.677 63.878 63.200 0.002 0.000 1.098 130 S HN 0.604 8.914 8.310 -0.000 0.000 0.544 131 T N 1.202 115.757 114.554 0.002 0.000 3.318 131 T HA -0.113 4.240 4.350 0.005 0.000 0.428 131 T C 0.659 175.360 174.700 0.002 0.000 0.768 131 T CA 0.682 62.783 62.100 0.002 0.000 2.218 131 T CB -2.463 66.405 68.868 0.001 0.000 1.689 131 T HN 1.350 9.590 8.240 -0.000 0.000 0.671 132 S N -1.284 114.418 115.700 0.004 0.000 2.723 132 S HA -0.315 4.158 4.470 0.005 0.000 0.261 132 S C 2.219 176.821 174.600 0.004 0.000 1.294 132 S CA 2.239 60.442 58.200 0.005 0.000 1.467 132 S CB -1.599 61.604 63.200 0.004 0.000 1.849 132 S HN 2.525 10.835 8.310 -0.000 0.000 0.672 133 G N 0.420 109.222 108.800 0.002 0.000 2.353 133 G HA2 -0.062 3.901 3.960 0.005 0.000 0.258 133 G HA3 -0.062 3.901 3.960 0.005 0.000 0.258 133 G C 1.692 176.590 174.900 -0.004 0.000 1.013 133 G CA 0.950 46.050 45.100 -0.000 0.000 0.622 133 G HN 2.068 10.357 8.290 -0.000 0.000 0.535 134 G N -0.989 107.809 108.800 -0.003 0.000 2.646 134 G HA2 -0.095 3.868 3.960 0.005 0.000 0.324 134 G HA3 -0.095 3.868 3.960 0.005 0.000 0.324 134 G C 0.440 175.333 174.900 -0.011 0.000 1.195 134 G CA 1.623 46.720 45.100 -0.006 0.000 0.976 134 G HN 1.843 10.133 8.290 -0.000 0.000 0.546 135 T N 1.033 115.576 114.554 -0.018 0.000 2.895 135 T HA 0.757 5.110 4.350 0.005 0.000 0.283 135 T C 0.122 174.797 174.700 -0.042 0.000 1.014 135 T CA 0.495 62.576 62.100 -0.030 0.000 1.037 135 T CB 1.884 70.734 68.868 -0.031 0.000 1.006 135 T HN 1.770 10.010 8.240 -0.000 0.000 0.468 136 A N 1.305 124.084 122.820 -0.067 0.000 2.386 136 A HA 0.856 5.180 4.320 0.005 0.000 0.311 136 A C -0.576 176.929 177.584 -0.131 0.000 1.068 136 A CA -0.975 51.011 52.037 -0.084 0.000 0.743 136 A CB 1.210 20.163 19.000 -0.079 0.000 1.258 136 A HN 1.087 9.237 8.150 -0.000 0.000 0.429 137 A N 1.993 124.746 122.820 -0.112 0.000 2.287 137 A HA 0.720 5.043 4.320 0.005 0.000 0.317 137 A C -0.949 176.556 177.584 -0.132 0.000 1.220 137 A CA -0.274 51.683 52.037 -0.133 0.000 0.835 137 A CB 0.131 19.085 19.000 -0.077 0.000 1.180 137 A HN 0.775 8.925 8.150 -0.000 0.000 0.500 138 L N 1.746 122.844 121.223 -0.209 0.000 2.323 138 L HA 0.960 5.303 4.340 0.005 0.000 0.265 138 L C 0.690 177.517 176.870 -0.071 0.000 1.012 138 L CA -0.038 54.725 54.840 -0.129 0.000 0.820 138 L CB 2.145 44.093 42.059 -0.186 0.000 1.334 138 L HN 0.892 9.122 8.230 -0.000 0.000 0.427 139 G N -0.987 107.920 108.800 0.178 0.000 2.663 139 G HA2 0.622 4.585 3.960 0.005 0.000 0.299 139 G HA3 0.622 4.585 3.960 0.005 0.000 0.299 139 G C -2.105 173.059 174.900 0.440 0.000 1.372 139 G CA -0.448 44.888 45.100 0.394 0.000 0.781 139 G HN 0.625 8.915 8.290 -0.000 0.000 0.491 140 c N -0.452 118.361 118.600 0.356 0.000 2.535 140 c HA 0.657 5.230 4.570 0.005 0.000 0.319 140 c C -0.705 173.470 174.090 0.142 0.000 1.171 140 c CA -0.590 55.841 56.329 0.171 0.000 1.394 140 c CB 0.827 43.328 42.510 -0.016 0.000 1.990 140 c HN 0.780 9.010 8.230 -0.000 0.000 0.466 141 L N 4.796 126.106 121.223 0.146 0.000 2.265 141 L HA 0.654 4.998 4.340 0.005 0.000 0.289 141 L C -0.519 176.416 176.870 0.110 0.000 1.033 141 L CA 0.192 55.129 54.840 0.162 0.000 0.814 141 L CB 1.084 43.291 42.059 0.247 0.000 1.203 141 L HN 0.503 8.733 8.230 -0.000 0.000 0.423 142 V N 5.631 125.605 119.914 0.100 0.000 2.270 142 V HA 0.335 4.458 4.120 0.005 0.000 0.263 142 V C 0.256 176.457 176.094 0.180 0.000 1.066 142 V CA -0.617 61.722 62.300 0.066 0.000 0.857 142 V CB 0.309 32.155 31.823 0.039 0.000 1.099 142 V HN 0.762 8.952 8.190 -0.000 0.000 0.476 143 K N 3.328 123.796 120.400 0.114 0.000 2.156 143 K HA 0.350 4.673 4.320 0.005 0.000 0.271 143 K C -0.212 176.464 176.600 0.128 0.000 0.995 143 K CA -0.323 56.058 56.287 0.156 0.000 0.890 143 K CB 0.657 33.307 32.500 0.250 0.000 1.073 143 K HN 0.597 8.847 8.250 -0.000 0.000 0.454 144 D N 2.729 123.179 120.400 0.083 0.000 3.038 144 D HA -0.243 4.400 4.640 0.005 0.000 0.229 144 D C -1.180 175.156 176.300 0.060 0.000 1.182 144 D CA 1.294 55.310 54.000 0.026 0.000 0.852 144 D CB -1.220 39.606 40.800 0.043 0.000 0.932 144 D HN 0.515 8.885 8.370 -0.000 0.000 0.406 145 Y N -1.124 119.198 120.300 0.037 0.000 2.598 145 Y HA 0.818 5.370 4.550 0.004 0.000 0.340 145 Y C -1.041 174.982 175.900 0.204 0.000 1.038 145 Y CA -1.869 56.196 58.100 -0.057 0.000 1.100 145 Y CB 1.600 39.814 38.460 -0.409 0.000 1.281 145 Y HN 0.004 8.284 8.280 -0.000 0.000 0.488 146 F N 3.390 123.475 119.950 0.226 0.000 2.654 146 F HA 0.646 5.176 4.527 0.006 0.000 0.314 146 F C -3.095 172.954 175.800 0.416 0.000 1.116 146 F CA -1.898 56.294 58.000 0.320 0.000 1.017 146 F CB 2.358 41.466 39.000 0.181 0.000 1.285 146 F HN 0.481 8.781 8.300 -0.000 0.000 0.448 147 P HA 0.279 4.699 4.420 -0.000 0.000 0.314 147 P C -0.982 176.250 177.300 -0.114 0.000 1.306 147 P CA -0.297 62.340 63.100 -0.771 0.000 0.782 147 P CB 1.320 32.465 31.700 -0.926 0.000 1.337 148 E N 0.208 120.194 120.200 -0.357 0.000 2.408 148 E HA 0.218 4.571 4.350 0.005 0.000 0.259 148 E C -1.693 174.832 176.600 -0.125 0.000 1.110 148 E CA -0.789 55.486 56.400 -0.208 0.000 0.929 148 E CB -0.248 29.214 29.700 -0.397 0.000 0.971 148 E HN 0.450 8.810 8.360 -0.000 0.000 0.438 149 P HA 0.450 4.870 4.420 -0.000 0.000 0.309 149 P C -1.013 176.233 177.300 -0.089 0.000 1.302 149 P CA -0.633 62.422 63.100 -0.075 0.000 0.835 149 P CB 1.530 33.181 31.700 -0.083 0.000 1.324 150 V N -0.355 119.468 119.914 -0.152 0.000 2.841 150 V HA 0.520 4.643 4.120 0.005 0.000 0.310 150 V C 0.040 176.056 176.094 -0.130 0.000 1.090 150 V CA -0.397 61.767 62.300 -0.226 0.000 0.930 150 V CB 2.140 33.631 31.823 -0.553 0.000 1.014 150 V HN 0.902 9.092 8.190 -0.000 0.000 0.425 151 T N 1.055 115.543 114.554 -0.111 0.000 2.912 151 T HA 0.882 5.236 4.350 0.005 0.000 0.288 151 T C -1.004 173.647 174.700 -0.081 0.000 1.030 151 T CA -0.750 61.307 62.100 -0.071 0.000 1.020 151 T CB 1.867 70.698 68.868 -0.060 0.000 1.056 151 T HN 0.434 8.674 8.240 -0.000 0.000 0.480 152 V N 2.298 122.181 119.914 -0.052 0.000 2.733 152 V HA 0.765 4.888 4.120 0.005 0.000 0.306 152 V C -0.193 175.867 176.094 -0.056 0.000 1.084 152 V CA -0.766 61.479 62.300 -0.092 0.000 0.905 152 V CB 1.875 33.659 31.823 -0.065 0.000 1.010 152 V HN 1.343 9.533 8.190 -0.000 0.000 0.424 153 S N 2.395 118.015 115.700 -0.132 0.000 2.667 153 S HA 0.859 5.332 4.470 0.005 0.000 0.292 153 S C -1.810 172.702 174.600 -0.147 0.000 1.126 153 S CA -0.808 57.379 58.200 -0.021 0.000 0.881 153 S CB 2.074 65.277 63.200 0.005 0.000 1.132 153 S HN 0.531 8.841 8.310 -0.000 0.000 0.492 154 W N 0.705 122.036 121.300 0.052 0.000 2.656 154 W HA 0.542 5.205 4.660 0.004 0.000 0.327 154 W C -0.311 176.251 176.519 0.073 0.000 1.041 154 W CA -0.233 57.159 57.345 0.078 0.000 1.229 154 W CB 0.925 30.449 29.460 0.106 0.000 1.397 154 W HN 0.845 9.025 8.180 -0.000 0.000 0.479 155 N N 1.819 120.682 118.700 0.273 0.000 2.714 155 N HA -0.243 4.500 4.740 0.005 0.000 0.252 155 N C 0.242 175.809 175.510 0.096 0.000 1.014 155 N CA 1.609 54.756 53.050 0.161 0.000 0.735 155 N CB -1.705 36.885 38.487 0.171 0.000 0.924 155 N HN 0.528 8.908 8.380 -0.000 0.000 0.540 156 S N -2.999 112.736 115.700 0.059 0.000 3.445 156 S HA -0.164 4.309 4.470 0.005 0.000 0.319 156 S C 1.392 176.019 174.600 0.044 0.000 1.209 156 S CA 1.819 60.038 58.200 0.031 0.000 0.934 156 S CB -1.501 61.710 63.200 0.018 0.000 0.999 156 S HN 1.724 10.034 8.310 -0.000 0.000 0.582 157 G N -0.499 108.348 108.800 0.079 0.000 2.194 157 G HA2 -0.110 3.853 3.960 0.005 0.000 0.236 157 G HA3 -0.110 3.853 3.960 0.005 0.000 0.236 157 G C 0.831 175.780 174.900 0.081 0.000 0.987 157 G CA 0.865 46.012 45.100 0.079 0.000 0.635 157 G HN 1.665 9.955 8.290 -0.000 0.000 0.520 158 A N -0.892 121.977 122.820 0.083 0.000 2.066 158 A HA 0.544 4.867 4.320 0.005 0.000 0.218 158 A C 1.152 178.788 177.584 0.087 0.000 1.157 158 A CA 1.607 53.685 52.037 0.069 0.000 0.670 158 A CB 0.048 19.081 19.000 0.055 0.000 0.804 158 A HN 1.175 9.325 8.150 -0.000 0.000 0.453 159 L N 0.786 122.090 121.223 0.135 0.000 2.295 159 L HA 0.420 4.763 4.340 0.005 0.000 0.281 159 L C 1.052 177.998 176.870 0.127 0.000 1.018 159 L CA 0.718 55.643 54.840 0.142 0.000 0.841 159 L CB 1.489 43.680 42.059 0.221 0.000 1.218 159 L HN 0.303 8.533 8.230 -0.000 0.000 0.424 160 T N -1.273 113.325 114.554 0.073 0.000 2.989 160 T HA 0.150 4.503 4.350 0.005 0.000 0.250 160 T C 0.835 175.544 174.700 0.016 0.000 0.981 160 T CA 0.328 62.461 62.100 0.055 0.000 0.980 160 T CB 0.015 68.908 68.868 0.041 0.000 1.133 160 T HN 0.429 8.669 8.240 -0.000 0.000 0.489 161 S N 0.842 116.545 115.700 0.006 0.000 2.510 161 S HA 0.462 4.935 4.470 0.005 0.000 0.279 161 S C 1.540 176.116 174.600 -0.040 0.000 1.284 161 S CA 0.617 58.808 58.200 -0.015 0.000 1.059 161 S CB -0.378 62.818 63.200 -0.008 0.000 0.901 161 S HN 1.415 9.725 8.310 -0.000 0.000 0.491 162 G N 2.997 111.766 108.800 -0.051 0.000 2.176 162 G HA2 -0.214 3.749 3.960 0.005 0.000 0.253 162 G HA3 -0.214 3.749 3.960 0.005 0.000 0.253 162 G C 0.058 174.903 174.900 -0.092 0.000 0.979 162 G CA 0.105 45.161 45.100 -0.072 0.000 0.641 162 G HN 0.969 9.259 8.290 -0.000 0.000 0.530 163 V N 1.444 121.317 119.914 -0.069 0.000 2.546 163 V HA 0.650 4.773 4.120 0.005 0.000 0.284 163 V C 0.201 176.333 176.094 0.063 0.000 1.050 163 V CA -0.484 61.793 62.300 -0.038 0.000 0.981 163 V CB 1.645 33.493 31.823 0.043 0.000 0.990 163 V HN 0.439 8.629 8.190 -0.000 0.000 0.474 164 H N 2.316 121.396 119.070 0.016 0.000 3.240 164 H HA 0.404 4.963 4.556 0.005 0.000 0.326 164 H C -0.772 174.604 175.328 0.080 0.000 1.015 164 H CA -0.524 55.501 56.048 -0.037 0.000 1.504 164 H CB 1.522 31.226 29.762 -0.096 0.000 1.754 164 H HN 0.625 8.905 8.280 -0.000 0.000 0.505 165 T N 6.255 121.010 114.554 0.336 0.000 2.767 165 T HA 0.347 4.700 4.350 0.005 0.000 0.284 165 T C -0.067 174.752 174.700 0.198 0.000 0.973 165 T CA -0.312 61.971 62.100 0.305 0.000 0.996 165 T CB 0.093 69.095 68.868 0.223 0.000 0.927 165 T HN 0.199 8.439 8.240 -0.000 0.000 0.456 166 F N 3.295 123.302 119.950 0.094 0.000 2.379 166 F HA 0.449 4.979 4.527 0.006 0.000 0.332 166 F C -1.753 174.100 175.800 0.088 0.000 1.096 166 F CA -2.565 55.468 58.000 0.056 0.000 1.105 166 F CB 0.105 39.084 39.000 -0.035 0.000 1.189 166 F HN 0.336 8.636 8.300 -0.000 0.000 0.515 167 P HA 0.150 4.570 4.420 -0.000 0.000 0.268 167 P C -0.839 176.588 177.300 0.211 0.000 1.208 167 P CA -0.134 63.079 63.100 0.187 0.000 0.777 167 P CB 0.477 32.267 31.700 0.150 0.000 0.875 168 A N 2.289 125.231 122.820 0.203 0.000 2.332 168 A HA 0.380 4.703 4.320 0.005 0.000 0.258 168 A C -0.225 177.492 177.584 0.222 0.000 1.087 168 A CA -0.299 51.880 52.037 0.238 0.000 0.802 168 A CB 0.322 19.501 19.000 0.299 0.000 1.042 168 A HN 0.432 8.582 8.150 -0.000 0.000 0.489 169 V N 1.994 122.018 119.914 0.184 0.000 2.547 169 V HA 0.536 4.659 4.120 0.005 0.000 0.299 169 V C -0.848 175.284 176.094 0.063 0.000 1.040 169 V CA -0.758 61.610 62.300 0.114 0.000 0.913 169 V CB 1.428 33.286 31.823 0.058 0.000 0.992 169 V HN 0.869 9.059 8.190 -0.000 0.000 0.449 170 L N 6.994 128.205 121.223 -0.020 0.000 2.255 170 L HA 0.504 4.847 4.340 0.005 0.000 0.289 170 L C 0.164 176.928 176.870 -0.176 0.000 1.046 170 L CA 0.356 55.040 54.840 -0.259 0.000 0.816 170 L CB 1.044 42.954 42.059 -0.248 0.000 1.197 170 L HN 0.784 9.014 8.230 -0.000 0.000 0.427 171 Q N 1.952 121.634 119.800 -0.197 0.000 2.317 171 Q HA 0.231 4.574 4.340 0.005 0.000 0.229 171 Q C 1.216 177.145 176.000 -0.118 0.000 0.984 171 Q CA 0.269 55.999 55.803 -0.121 0.000 0.911 171 Q CB 0.729 29.407 28.738 -0.100 0.000 1.217 171 Q HN 0.796 9.066 8.270 -0.000 0.000 0.501 172 S N -0.637 115.016 115.700 -0.079 0.000 2.500 172 S HA -0.156 4.317 4.470 0.005 0.000 0.239 172 S C 1.635 176.188 174.600 -0.079 0.000 0.989 172 S CA 1.095 59.254 58.200 -0.068 0.000 0.951 172 S CB -0.309 62.864 63.200 -0.046 0.000 0.759 172 S HN 0.654 8.964 8.310 -0.000 0.000 0.523 173 S N 0.343 115.989 115.700 -0.090 0.000 2.527 173 S HA 0.418 4.891 4.470 0.005 0.000 0.222 173 S C 1.680 176.201 174.600 -0.133 0.000 0.985 173 S CA 0.466 58.609 58.200 -0.094 0.000 0.921 173 S CB -0.618 62.535 63.200 -0.079 0.000 0.772 173 S HN 1.402 9.712 8.310 -0.000 0.000 0.529 174 G N 0.581 109.284 108.800 -0.161 0.000 2.176 174 G HA2 -0.204 3.759 3.960 0.005 0.000 0.253 174 G HA3 -0.204 3.759 3.960 0.005 0.000 0.253 174 G C -0.107 174.654 174.900 -0.232 0.000 0.979 174 G CA 0.314 45.292 45.100 -0.204 0.000 0.641 174 G HN 0.538 8.828 8.290 -0.000 0.000 0.530 175 L N -0.471 120.626 121.223 -0.210 0.000 2.334 175 L HA 0.739 5.082 4.340 0.005 0.000 0.270 175 L C 0.411 177.081 176.870 -0.333 0.000 1.018 175 L CA -1.549 53.198 54.840 -0.155 0.000 0.811 175 L CB 1.008 43.019 42.059 -0.081 0.000 1.271 175 L HN 0.060 8.290 8.230 -0.000 0.000 0.443 176 Y N -0.301 119.790 120.300 -0.348 0.000 2.403 176 Y HA 0.515 5.068 4.550 0.004 0.000 0.323 176 Y C 0.300 175.841 175.900 -0.599 0.000 1.226 176 Y CA -0.320 57.444 58.100 -0.559 0.000 1.235 176 Y CB 1.924 39.832 38.460 -0.920 0.000 1.248 176 Y HN 0.429 8.709 8.280 -0.000 0.000 0.489 177 S N 1.748 117.403 115.700 -0.075 0.000 2.533 177 S HA 0.727 5.200 4.470 0.005 0.000 0.271 177 S C -1.758 172.972 174.600 0.218 0.000 1.143 177 S CA -0.751 57.513 58.200 0.106 0.000 0.891 177 S CB 1.510 64.754 63.200 0.074 0.000 1.105 177 S HN 0.533 8.843 8.310 -0.000 0.000 0.468 178 L N -0.296 121.100 121.223 0.289 0.000 2.491 178 L HA 1.017 5.360 4.340 0.005 0.000 0.254 178 L C -0.694 176.282 176.870 0.178 0.000 1.048 178 L CA -0.453 54.527 54.840 0.234 0.000 0.855 178 L CB 1.549 43.773 42.059 0.276 0.000 1.466 178 L HN 0.477 8.707 8.230 -0.000 0.000 0.409 179 S N -0.190 115.606 115.700 0.161 0.000 2.569 179 S HA 0.847 5.320 4.470 0.005 0.000 0.280 179 S C -1.152 173.597 174.600 0.249 0.000 1.111 179 S CA -0.633 57.652 58.200 0.142 0.000 0.887 179 S CB 1.767 64.983 63.200 0.027 0.000 1.095 179 S HN 0.910 9.220 8.310 -0.000 0.000 0.476 180 S N 1.141 117.015 115.700 0.291 0.000 2.538 180 S HA 0.807 5.280 4.470 0.005 0.000 0.288 180 S C -1.417 173.473 174.600 0.484 0.000 1.108 180 S CA -0.431 58.035 58.200 0.443 0.000 0.971 180 S CB 0.938 64.419 63.200 0.468 0.000 1.041 180 S HN 0.480 8.790 8.310 -0.000 0.000 0.483 181 V N 3.791 123.933 119.914 0.381 0.000 2.876 181 V HA 0.754 4.877 4.120 0.005 0.000 0.312 181 V C -0.720 175.294 176.094 -0.134 0.000 1.085 181 V CA -0.695 61.686 62.300 0.135 0.000 0.945 181 V CB 1.998 33.887 31.823 0.110 0.000 1.017 181 V HN 0.709 8.899 8.190 -0.000 0.000 0.428 182 V N 3.167 122.783 119.914 -0.497 0.000 2.588 182 V HA 0.632 4.755 4.120 0.005 0.000 0.304 182 V C -0.210 175.625 176.094 -0.431 0.000 1.042 182 V CA 0.010 61.933 62.300 -0.628 0.000 0.877 182 V CB 2.550 33.620 31.823 -1.256 0.000 0.996 182 V HN 1.001 9.191 8.190 -0.000 0.000 0.425 183 T N 6.653 121.045 114.554 -0.270 0.000 2.749 183 T HA 0.632 4.985 4.350 0.005 0.000 0.287 183 T C -0.329 174.249 174.700 -0.202 0.000 0.970 183 T CA -0.209 61.773 62.100 -0.195 0.000 0.980 183 T CB 1.097 69.906 68.868 -0.098 0.000 0.924 183 T HN 1.059 9.299 8.240 -0.000 0.000 0.456 184 V N 1.350 121.134 119.914 -0.218 0.000 3.102 184 V HA 0.844 4.967 4.120 0.005 0.000 0.312 184 V C -2.859 173.187 176.094 -0.079 0.000 1.135 184 V CA -3.164 59.040 62.300 -0.159 0.000 1.022 184 V CB 2.062 33.717 31.823 -0.279 0.000 1.056 184 V HN 0.546 8.736 8.190 -0.000 0.000 0.436 185 P HA 0.229 4.649 4.420 -0.000 0.000 0.271 185 P C 0.444 177.753 177.300 0.014 0.000 1.216 185 P CA 0.174 63.276 63.100 0.003 0.000 0.776 185 P CB 1.496 33.209 31.700 0.023 0.000 0.881 186 S N 1.952 117.656 115.700 0.006 0.000 2.387 186 S HA -0.130 4.343 4.470 0.005 0.000 0.226 186 S C 2.073 176.692 174.600 0.032 0.000 1.026 186 S CA 1.572 59.780 58.200 0.014 0.000 0.972 186 S CB -0.902 62.300 63.200 0.004 0.000 0.814 186 S HN 0.747 9.057 8.310 -0.000 0.000 0.477 187 S N 2.442 118.159 115.700 0.028 0.000 2.413 187 S HA -0.172 4.301 4.470 0.005 0.000 0.237 187 S C 1.571 176.194 174.600 0.039 0.000 1.044 187 S CA 1.585 59.803 58.200 0.029 0.000 1.024 187 S CB -0.651 62.562 63.200 0.023 0.000 0.829 187 S HN 0.596 8.906 8.310 -0.000 0.000 0.475 188 S N 0.251 115.986 115.700 0.058 0.000 2.575 188 S HA 0.417 4.890 4.470 0.005 0.000 0.237 188 S C 1.154 175.817 174.600 0.104 0.000 0.975 188 S CA -0.463 57.777 58.200 0.067 0.000 0.960 188 S CB -0.414 62.825 63.200 0.063 0.000 0.822 188 S HN 0.460 8.770 8.310 -0.000 0.000 0.472 189 L N 0.939 122.232 121.223 0.116 0.000 2.450 189 L HA 0.028 4.371 4.340 0.005 0.000 0.224 189 L C 2.317 179.252 176.870 0.109 0.000 1.149 189 L CA 1.244 56.176 54.840 0.154 0.000 0.816 189 L CB -0.434 41.686 42.059 0.102 0.000 0.932 189 L HN 0.632 8.862 8.230 -0.000 0.000 0.449 190 G N -1.690 107.151 108.800 0.067 0.000 2.833 190 G HA2 -0.075 3.888 3.960 0.005 0.000 0.210 190 G HA3 -0.075 3.888 3.960 0.005 0.000 0.210 190 G C 1.393 176.307 174.900 0.024 0.000 1.139 190 G CA 0.772 45.898 45.100 0.043 0.000 0.771 190 G HN 0.390 8.680 8.290 -0.000 0.000 0.535 191 T N -2.943 111.622 114.554 0.017 0.000 3.023 191 T HA 0.313 4.666 4.350 0.005 0.000 0.253 191 T C 0.562 175.236 174.700 -0.043 0.000 1.038 191 T CA -0.100 61.996 62.100 -0.007 0.000 0.962 191 T CB 0.594 69.461 68.868 -0.001 0.000 1.018 191 T HN 0.141 8.381 8.240 -0.000 0.000 0.521 192 Q N 1.749 121.506 119.800 -0.071 0.000 2.325 192 Q HA 0.504 4.847 4.340 0.005 0.000 0.270 192 Q C -1.169 174.620 176.000 -0.351 0.000 1.020 192 Q CA -0.224 55.444 55.803 -0.226 0.000 0.785 192 Q CB 1.782 30.343 28.738 -0.295 0.000 1.259 192 Q HN 0.131 8.401 8.270 -0.000 0.000 0.452 193 T N 4.221 118.588 114.554 -0.311 0.000 2.856 193 T HA 0.386 4.739 4.350 0.005 0.000 0.292 193 T C -0.966 173.507 174.700 -0.379 0.000 0.980 193 T CA 0.178 62.150 62.100 -0.213 0.000 1.091 193 T CB 0.177 68.994 68.868 -0.084 0.000 0.936 193 T HN 0.415 8.655 8.240 -0.000 0.000 0.503 194 Y N 2.724 123.100 120.300 0.126 0.000 2.364 194 Y HA 0.557 5.110 4.550 0.005 0.000 0.340 194 Y C 0.055 176.101 175.900 0.243 0.000 0.975 194 Y CA -1.187 57.046 58.100 0.222 0.000 1.089 194 Y CB 1.191 39.798 38.460 0.245 0.000 1.192 194 Y HN 0.320 8.600 8.280 -0.000 0.000 0.454 195 I N 3.435 124.233 120.570 0.379 0.000 2.533 195 I HA 0.265 4.438 4.170 0.005 0.000 0.290 195 I C -0.531 175.537 176.117 -0.083 0.000 1.056 195 I CA -1.082 60.299 61.300 0.135 0.000 1.057 195 I CB 1.294 39.324 38.000 0.050 0.000 1.240 195 I HN 0.704 8.914 8.210 -0.000 0.000 0.423 196 c N 3.562 121.883 118.600 -0.466 0.000 2.273 196 c HA 0.619 5.192 4.570 0.005 0.000 0.328 196 c C -0.025 173.774 174.090 -0.485 0.000 1.275 196 c CA -0.807 54.923 56.329 -0.998 0.000 1.704 196 c CB -0.760 40.876 42.510 -1.457 0.000 2.326 196 c HN 0.789 9.019 8.230 -0.000 0.000 0.517 197 N N 2.454 120.922 118.700 -0.387 0.000 2.462 197 N HA 0.506 5.249 4.740 0.005 0.000 0.242 197 N C -0.697 174.687 175.510 -0.209 0.000 1.010 197 N CA -0.370 52.548 53.050 -0.219 0.000 0.939 197 N CB 1.402 39.808 38.487 -0.136 0.000 1.127 197 N HN 0.656 9.036 8.380 -0.000 0.000 0.509 198 V N 2.220 122.024 119.914 -0.183 0.000 2.427 198 V HA 0.368 4.491 4.120 0.005 0.000 0.286 198 V C -0.051 175.972 176.094 -0.118 0.000 1.034 198 V CA -0.819 61.386 62.300 -0.160 0.000 0.893 198 V CB 1.290 33.013 31.823 -0.167 0.000 0.982 198 V HN 0.748 8.938 8.190 -0.000 0.000 0.452 199 N N 1.758 120.393 118.700 -0.107 0.000 2.430 199 N HA 0.368 5.112 4.740 0.005 0.000 0.290 199 N C -1.402 174.068 175.510 -0.067 0.000 1.063 199 N CA -0.603 52.400 53.050 -0.079 0.000 0.883 199 N CB 1.109 39.550 38.487 -0.077 0.000 1.465 199 N HN 0.872 9.252 8.380 -0.000 0.000 0.493 200 H N 3.373 122.345 119.070 -0.163 0.000 2.683 200 H HA 0.306 4.865 4.556 0.005 0.000 0.270 200 H C 0.551 175.813 175.328 -0.110 0.000 1.201 200 H CA -0.316 55.622 56.048 -0.184 0.000 1.277 200 H CB 0.615 30.262 29.762 -0.192 0.000 1.400 200 H HN 0.534 8.814 8.280 -0.000 0.000 0.504 201 K N 3.730 123.956 120.400 -0.289 0.000 2.074 201 K HA -0.096 4.227 4.320 0.005 0.000 0.209 201 K C -0.790 175.633 176.600 -0.294 0.000 1.048 201 K CA 1.544 57.686 56.287 -0.241 0.000 0.926 201 K CB -0.695 31.700 32.500 -0.176 0.000 0.713 201 K HN 0.538 8.788 8.250 -0.000 0.000 0.444 202 P HA -0.157 4.263 4.420 -0.000 0.000 0.218 202 P C 0.984 178.170 177.300 -0.190 0.000 1.148 202 P CA 1.646 64.553 63.100 -0.322 0.000 0.822 202 P CB 0.066 31.552 31.700 -0.356 0.000 0.784 203 S N -2.453 113.130 115.700 -0.195 0.000 2.539 203 S HA 0.129 4.602 4.470 0.005 0.000 0.221 203 S C 0.600 175.208 174.600 0.012 0.000 0.987 203 S CA -0.160 58.059 58.200 0.031 0.000 0.929 203 S CB -1.144 62.207 63.200 0.252 0.000 0.832 203 S HN 0.100 8.410 8.310 -0.000 0.000 0.492 204 N N 0.685 119.357 118.700 -0.047 0.000 2.725 204 N HA -0.127 4.616 4.740 0.005 0.000 0.249 204 N C -1.096 174.409 175.510 -0.007 0.000 1.103 204 N CA 0.902 53.932 53.050 -0.034 0.000 0.707 204 N CB -1.756 36.717 38.487 -0.023 0.000 1.043 204 N HN 0.387 8.767 8.380 -0.000 0.000 0.553 205 T N 1.233 115.800 114.554 0.022 0.000 2.728 205 T HA 0.304 4.657 4.350 0.005 0.000 0.296 205 T C 0.144 174.839 174.700 -0.009 0.000 0.940 205 T CA -0.093 62.022 62.100 0.025 0.000 1.013 205 T CB 0.998 69.906 68.868 0.066 0.000 0.912 205 T HN 0.051 8.291 8.240 -0.000 0.000 0.484 206 K N 2.721 123.103 120.400 -0.029 0.000 2.463 206 K HA 0.665 4.988 4.320 0.005 0.000 0.255 206 K C -1.331 175.235 176.600 -0.056 0.000 0.942 206 K CA -0.817 55.441 56.287 -0.047 0.000 0.814 206 K CB 2.376 34.850 32.500 -0.043 0.000 1.122 206 K HN 0.276 8.526 8.250 -0.000 0.000 0.425 207 V N 2.228 122.096 119.914 -0.077 0.000 2.638 207 V HA 0.251 4.374 4.120 0.005 0.000 0.306 207 V C -1.047 174.987 176.094 -0.100 0.000 1.052 207 V CA -0.949 61.300 62.300 -0.085 0.000 0.885 207 V CB 2.123 33.884 31.823 -0.102 0.000 0.999 207 V HN 0.720 8.910 8.190 -0.000 0.000 0.424 208 D N 3.563 123.914 120.400 -0.081 0.000 2.472 208 D HA 0.309 4.952 4.640 0.005 0.000 0.234 208 D C -0.354 175.904 176.300 -0.071 0.000 1.088 208 D CA -0.528 53.421 54.000 -0.085 0.000 0.882 208 D CB 1.986 42.752 40.800 -0.057 0.000 1.037 208 D HN 0.286 8.656 8.370 -0.000 0.000 0.520 209 K N 1.704 122.046 120.400 -0.096 0.000 2.234 209 K HA 0.158 4.481 4.320 0.005 0.000 0.277 209 K C -0.136 176.457 176.600 -0.011 0.000 1.038 209 K CA -0.619 55.635 56.287 -0.055 0.000 0.888 209 K CB 1.044 33.503 32.500 -0.068 0.000 1.091 209 K HN 0.050 8.300 8.250 -0.000 0.000 0.467 210 K N 3.111 123.531 120.400 0.033 0.000 2.322 210 K HA 0.233 4.556 4.320 0.005 0.000 0.283 210 K C -1.084 175.591 176.600 0.125 0.000 1.042 210 K CA -0.499 55.839 56.287 0.085 0.000 0.958 210 K CB 0.679 33.220 32.500 0.069 0.000 0.984 210 K HN 0.308 8.558 8.250 -0.000 0.000 0.473 211 V N 5.651 125.689 119.914 0.206 0.000 2.378 211 V HA 0.248 4.371 4.120 0.005 0.000 0.288 211 V C -0.602 175.621 176.094 0.214 0.000 1.016 211 V CA -0.636 61.797 62.300 0.222 0.000 0.840 211 V CB 1.093 33.112 31.823 0.327 0.000 0.994 211 V HN 0.940 9.130 8.190 -0.000 0.000 0.431 212 E N 6.106 126.396 120.200 0.150 0.000 2.343 212 E HA 0.668 5.021 4.350 0.005 0.000 0.270 212 E C -2.981 173.676 176.600 0.095 0.000 0.895 212 E CA -2.343 54.136 56.400 0.132 0.000 0.767 212 E CB 2.579 32.344 29.700 0.107 0.000 1.248 212 E HN 0.393 8.753 8.360 -0.000 0.000 0.440 213 P HA 0.044 4.464 4.420 -0.000 0.000 0.269 213 P C -0.852 176.477 177.300 0.048 0.000 1.215 213 P CA -0.101 63.032 63.100 0.055 0.000 0.780 213 P CB 0.991 32.720 31.700 0.049 0.000 0.898 214 K N 0.000 120.422 120.400 0.036 0.000 2.780 214 K HA 0.000 4.323 4.320 0.005 0.000 0.191 214 K CA 0.000 56.305 56.287 0.031 0.000 0.838 214 K CB 0.000 32.516 32.500 0.026 0.000 1.064 214 K HN 0.000 8.250 8.250 -0.000 0.000 0.543