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 2ich_1_A DATA FIRST_RESID 24 DATA SEQUENCE LAPVVPGKAL EFPQDFGAHN DFRIEWWYVT GWLETPTGKP LGFQITFFRT DATA SEQUENCE AXXXXXXXXS HFAPDQLIIA HVALSDPAIG KLQHDQKIAR AGFDLAYART DATA SEQUENCE GNTDVKLDDW IFVRETDGRY RTRIEAEDFT LTFILTPSQP LXLQGENGFS DATA SEQUENCE RKGPGAPQAS YYYSEPHLQV SGIINRQGED IPVTGTAWLD REWSSEYLDP DATA SEQUENCE NAAGWDWISA NLDDGSALXA FQIRGKDDSK IWAYAALRDA SGHTRLFTPD DATA SEQUENCE QVSFHPIRTW RSARTQAVYP VATRVLTGET EWQITPLXDD QELDSRASAG DATA SEQUENCE AVYWEGAVTF TRDGQPAGRG YXELTGYV 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 24 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 24 L C 0.000 176.755 176.870 -0.191 0.000 1.165 24 L CA 0.000 54.771 54.840 -0.115 0.000 0.813 24 L CB 0.000 42.059 42.059 -0.000 0.000 0.961 25 A N 2.805 125.387 122.820 -0.397 0.000 2.454 25 A HA 0.634 4.948 4.320 -0.010 0.000 0.260 25 A C -2.272 175.051 177.584 -0.435 0.000 1.106 25 A CA -0.525 51.168 52.037 -0.572 0.000 0.780 25 A CB -0.512 17.820 19.000 -1.112 0.000 1.044 25 A HN 0.503 8.653 8.150 -0.000 0.000 0.498 26 P HA 0.303 4.723 4.420 -0.000 0.000 0.281 26 P C -0.653 176.804 177.300 0.261 0.000 1.249 26 P CA -0.342 62.797 63.100 0.064 0.000 0.810 26 P CB 1.216 32.941 31.700 0.042 0.000 1.008 27 V N 3.245 123.257 119.914 0.162 0.000 2.385 27 V HA 0.287 4.401 4.120 -0.010 0.000 0.269 27 V C 0.669 176.823 176.094 0.100 0.000 1.043 27 V CA -0.213 62.052 62.300 -0.060 0.000 0.906 27 V CB 0.831 32.368 31.823 -0.477 0.000 0.995 27 V HN 0.456 8.646 8.190 -0.000 0.000 0.467 28 V N 4.355 124.405 119.914 0.227 0.000 2.962 28 V HA 0.795 4.909 4.120 -0.010 0.000 0.313 28 V C -2.680 173.401 176.094 -0.021 0.000 1.099 28 V CA -2.400 59.973 62.300 0.121 0.000 0.971 28 V CB 2.307 34.184 31.823 0.090 0.000 1.028 28 V HN 0.608 8.798 8.190 -0.000 0.000 0.430 29 P HA 0.438 4.858 4.420 -0.000 0.000 0.276 29 P C 0.794 177.988 177.300 -0.176 0.000 1.252 29 P CA 1.173 63.895 63.100 -0.629 0.000 0.802 29 P CB 1.217 32.316 31.700 -1.003 0.000 1.035 30 G N -0.510 108.237 108.800 -0.087 0.000 2.159 30 G HA2 -0.168 3.787 3.960 -0.010 0.000 0.256 30 G HA3 -0.168 3.787 3.960 -0.010 0.000 0.256 30 G C -0.087 174.826 174.900 0.022 0.000 0.977 30 G CA -0.123 44.963 45.100 -0.022 0.000 0.652 30 G HN 0.541 8.831 8.290 -0.000 0.000 0.531 31 K N 0.841 121.281 120.400 0.067 0.000 2.281 31 K HA 0.729 5.043 4.320 -0.010 0.000 0.272 31 K C 0.404 176.996 176.600 -0.013 0.000 1.048 31 K CA 0.162 56.468 56.287 0.031 0.000 0.898 31 K CB 1.470 33.994 32.500 0.040 0.000 1.128 31 K HN 0.642 8.892 8.250 -0.000 0.000 0.460 32 A N 4.606 127.411 122.820 -0.025 0.000 2.331 32 A HA 0.455 4.769 4.320 -0.010 0.000 0.283 32 A C 0.154 177.682 177.584 -0.093 0.000 1.142 32 A CA -0.603 51.418 52.037 -0.025 0.000 0.812 32 A CB 0.259 19.255 19.000 -0.008 0.000 1.074 32 A HN 0.697 8.847 8.150 -0.000 0.000 0.497 33 L N 1.594 122.760 121.223 -0.096 0.000 2.436 33 L HA 0.376 4.710 4.340 -0.010 0.000 0.265 33 L C 0.255 176.910 176.870 -0.359 0.000 1.168 33 L CA 0.039 54.730 54.840 -0.250 0.000 0.815 33 L CB 0.616 42.570 42.059 -0.176 0.000 1.109 33 L HN 0.758 8.988 8.230 -0.000 0.000 0.462 34 E N 1.655 121.463 120.200 -0.654 0.000 2.272 34 E HA 0.552 4.896 4.350 -0.010 0.000 0.269 34 E C -1.639 174.443 176.600 -0.864 0.000 0.877 34 E CA -0.518 55.583 56.400 -0.498 0.000 0.755 34 E CB 2.378 31.934 29.700 -0.240 0.000 1.192 34 E HN 0.205 8.565 8.360 -0.000 0.000 0.422 35 F N 1.610 121.453 119.950 -0.178 0.000 2.546 35 F HA 0.363 4.884 4.527 -0.009 0.000 0.320 35 F C -1.253 174.527 175.800 -0.033 0.000 1.076 35 F CA -1.656 56.200 58.000 -0.240 0.000 0.928 35 F CB 1.269 40.003 39.000 -0.443 0.000 1.189 35 F HN 0.391 8.691 8.300 -0.000 0.000 0.465 36 P HA -0.028 4.392 4.420 -0.000 0.000 0.249 36 P C 1.053 178.465 177.300 0.186 0.000 1.229 36 P CA 0.435 63.783 63.100 0.413 0.000 0.788 36 P CB 0.320 32.293 31.700 0.455 0.000 1.072 37 Q N 1.156 120.934 119.800 -0.036 0.000 2.096 37 Q HA -0.192 4.142 4.340 -0.010 0.000 0.208 37 Q C 0.920 176.809 176.000 -0.185 0.000 0.993 37 Q CA 1.739 57.479 55.803 -0.105 0.000 0.862 37 Q CB -0.194 28.458 28.738 -0.143 0.000 0.915 37 Q HN 0.182 8.452 8.270 -0.000 0.000 0.416 38 D N -0.578 119.575 120.400 -0.411 0.000 2.336 38 D HA -0.026 4.608 4.640 -0.010 0.000 0.229 38 D C 0.925 177.250 176.300 0.042 0.000 1.061 38 D CA 0.158 53.970 54.000 -0.313 0.000 0.875 38 D CB 0.010 40.466 40.800 -0.574 0.000 0.904 38 D HN 0.265 8.635 8.370 -0.000 0.000 0.525 39 F N 1.204 121.333 119.950 0.297 0.000 2.325 39 F HA 0.085 4.606 4.527 -0.010 0.000 0.299 39 F C 2.077 178.051 175.800 0.290 0.000 1.090 39 F CA 0.157 58.423 58.000 0.443 0.000 1.392 39 F CB -0.641 38.584 39.000 0.376 0.000 1.053 39 F HN -0.167 8.133 8.300 -0.000 0.000 0.521 40 G N -0.561 108.369 108.800 0.218 0.000 2.562 40 G HA2 0.485 4.439 3.960 -0.010 0.000 0.275 40 G HA3 0.485 4.439 3.960 -0.010 0.000 0.275 40 G C -0.331 174.508 174.900 -0.102 0.000 1.196 40 G CA -0.208 44.941 45.100 0.081 0.000 0.908 40 G HN 0.370 8.660 8.290 -0.000 0.000 0.524 41 A N -0.815 122.026 122.820 0.035 0.000 2.406 41 A HA 0.461 4.775 4.320 -0.010 0.000 0.243 41 A C -0.305 177.088 177.584 -0.318 0.000 1.082 41 A CA -0.046 52.041 52.037 0.083 0.000 0.786 41 A CB 0.110 19.279 19.000 0.282 0.000 1.029 41 A HN 0.781 8.931 8.150 -0.000 0.000 0.495 42 H N 1.232 120.231 119.070 -0.118 0.000 2.340 42 H HA 0.224 4.774 4.556 -0.009 0.000 0.233 42 H C 0.348 175.754 175.328 0.131 0.000 1.435 42 H CA -0.527 55.451 56.048 -0.116 0.000 1.389 42 H CB 0.345 29.749 29.762 -0.596 0.000 1.491 42 H HN 0.636 8.916 8.280 -0.000 0.000 0.518 43 N N 0.931 119.732 118.700 0.168 0.000 2.512 43 N HA -0.115 4.619 4.740 -0.010 0.000 0.183 43 N C 0.895 176.497 175.510 0.153 0.000 1.073 43 N CA 0.667 53.810 53.050 0.155 0.000 0.911 43 N CB 0.260 38.800 38.487 0.088 0.000 0.964 43 N HN 0.688 9.068 8.380 -0.000 0.000 0.447 44 D N -0.540 119.972 120.400 0.186 0.000 2.363 44 D HA -0.086 4.548 4.640 -0.010 0.000 0.220 44 D C 0.211 176.495 176.300 -0.027 0.000 0.994 44 D CA 0.171 54.211 54.000 0.066 0.000 0.890 44 D CB -0.344 40.463 40.800 0.011 0.000 0.906 44 D HN 0.044 8.414 8.370 -0.000 0.000 0.530 45 F N 0.646 120.683 119.950 0.146 0.000 2.399 45 F HA 0.387 4.909 4.527 -0.009 0.000 0.328 45 F C 1.954 177.805 175.800 0.085 0.000 1.084 45 F CA -1.167 56.924 58.000 0.152 0.000 1.053 45 F CB 1.469 40.635 39.000 0.277 0.000 1.209 45 F HN -0.362 7.938 8.300 -0.000 0.000 0.502 46 R N 0.969 121.590 120.500 0.202 0.000 2.075 46 R HA 0.076 4.411 4.340 -0.010 0.000 0.232 46 R C -0.196 176.137 176.300 0.056 0.000 1.126 46 R CA 1.391 57.532 56.100 0.069 0.000 0.963 46 R CB -0.028 30.258 30.300 -0.023 0.000 0.858 46 R HN 0.592 8.862 8.270 -0.000 0.000 0.435 47 I N 0.120 120.751 120.570 0.100 0.000 2.608 47 I HA 0.320 4.485 4.170 -0.010 0.000 0.295 47 I C -0.905 175.316 176.117 0.174 0.000 1.049 47 I CA -0.697 60.663 61.300 0.099 0.000 1.063 47 I CB 2.247 40.290 38.000 0.071 0.000 1.248 47 I HN 0.060 8.270 8.210 -0.000 0.000 0.424 48 E N 3.822 124.087 120.200 0.108 0.000 2.372 48 E HA 0.489 4.833 4.350 -0.010 0.000 0.279 48 E C -2.238 174.296 176.600 -0.109 0.000 0.946 48 E CA -0.623 55.785 56.400 0.014 0.000 0.769 48 E CB 1.743 31.371 29.700 -0.120 0.000 1.230 48 E HN 0.430 8.790 8.360 -0.000 0.000 0.442 49 W N 3.095 124.226 121.300 -0.280 0.000 2.819 49 W HA 0.536 5.192 4.660 -0.007 0.000 0.337 49 W C -1.002 175.293 176.519 -0.373 0.000 1.077 49 W CA -0.301 56.972 57.345 -0.121 0.000 1.226 49 W CB 1.345 30.668 29.460 -0.229 0.000 1.419 49 W HN 0.304 8.484 8.180 -0.000 0.000 0.502 50 W N 4.030 125.487 121.300 0.262 0.000 2.499 50 W HA 0.265 4.920 4.660 -0.008 0.000 0.320 50 W C -1.390 175.201 176.519 0.121 0.000 1.010 50 W CA -1.071 56.335 57.345 0.103 0.000 1.267 50 W CB 1.333 30.759 29.460 -0.057 0.000 1.316 50 W HN 0.187 8.367 8.180 -0.000 0.000 0.431 51 Y N 3.178 123.527 120.300 0.083 0.000 2.326 51 Y HA 0.547 5.091 4.550 -0.011 0.000 0.329 51 Y C -1.224 174.645 175.900 -0.052 0.000 0.973 51 Y CA -1.365 56.716 58.100 -0.032 0.000 1.162 51 Y CB 1.006 39.375 38.460 -0.152 0.000 1.147 51 Y HN 0.064 8.344 8.280 -0.000 0.000 0.456 52 V N 6.002 125.733 119.914 -0.305 0.000 2.417 52 V HA 0.610 4.724 4.120 -0.010 0.000 0.291 52 V C -0.317 175.388 176.094 -0.649 0.000 1.024 52 V CA -0.449 61.661 62.300 -0.317 0.000 0.861 52 V CB 1.816 33.612 31.823 -0.044 0.000 0.985 52 V HN 0.847 9.037 8.190 -0.000 0.000 0.436 53 T N 1.193 115.342 114.554 -0.674 0.000 2.893 53 T HA 0.945 5.289 4.350 -0.010 0.000 0.291 53 T C -0.177 174.103 174.700 -0.699 0.000 1.028 53 T CA -0.355 61.148 62.100 -0.995 0.000 0.995 53 T CB 2.127 70.465 68.868 -0.883 0.000 1.051 53 T HN 1.220 9.460 8.240 -0.000 0.000 0.470 54 G N 0.208 108.455 108.800 -0.920 0.000 2.506 54 G HA2 0.514 4.468 3.960 -0.010 0.000 0.292 54 G HA3 0.514 4.468 3.960 -0.010 0.000 0.292 54 G C -2.515 172.427 174.900 0.070 0.000 1.425 54 G CA -1.049 43.897 45.100 -0.257 0.000 0.788 54 G HN 0.671 8.961 8.290 -0.000 0.000 0.490 55 W N -0.266 121.122 121.300 0.147 0.000 2.689 55 W HA 0.805 5.460 4.660 -0.008 0.000 0.340 55 W C -0.089 176.545 176.519 0.191 0.000 1.060 55 W CA -0.587 56.869 57.345 0.186 0.000 1.218 55 W CB 1.969 31.505 29.460 0.126 0.000 1.410 55 W HN 0.368 8.548 8.180 -0.000 0.000 0.528 56 L N 1.332 122.776 121.223 0.368 0.000 2.309 56 L HA 0.629 4.963 4.340 -0.010 0.000 0.261 56 L C -0.548 176.430 176.870 0.179 0.000 1.021 56 L CA -1.269 53.687 54.840 0.192 0.000 0.823 56 L CB 2.264 44.371 42.059 0.080 0.000 1.366 56 L HN 0.338 8.568 8.230 -0.000 0.000 0.423 57 E N 0.472 120.732 120.200 0.100 0.000 2.246 57 E HA 0.368 4.712 4.350 -0.010 0.000 0.266 57 E C -1.024 175.605 176.600 0.048 0.000 0.880 57 E CA -0.524 55.929 56.400 0.088 0.000 0.762 57 E CB 2.057 31.807 29.700 0.084 0.000 1.180 57 E HN 0.681 9.041 8.360 -0.000 0.000 0.416 58 T N 0.856 115.438 114.554 0.048 0.000 2.824 58 T HA 0.322 4.666 4.350 -0.010 0.000 0.277 58 T C -1.784 172.935 174.700 0.032 0.000 0.975 58 T CA -1.420 60.701 62.100 0.035 0.000 0.966 58 T CB 1.047 69.936 68.868 0.034 0.000 1.054 58 T HN 0.242 8.482 8.240 -0.000 0.000 0.533 59 P HA -0.047 4.373 4.420 -0.000 0.000 0.221 59 P C 1.455 178.770 177.300 0.025 0.000 1.145 59 P CA 1.255 64.370 63.100 0.025 0.000 0.795 59 P CB -0.252 31.462 31.700 0.023 0.000 0.775 60 T N -5.946 108.624 114.554 0.028 0.000 3.129 60 T HA 0.322 4.667 4.350 -0.010 0.000 0.251 60 T C 1.548 176.266 174.700 0.031 0.000 1.117 60 T CA 0.558 62.674 62.100 0.027 0.000 1.034 60 T CB -0.638 68.246 68.868 0.026 0.000 0.968 60 T HN 0.223 8.463 8.240 -0.000 0.000 0.526 61 G N 1.394 110.216 108.800 0.037 0.000 2.175 61 G HA2 -0.264 3.690 3.960 -0.010 0.000 0.244 61 G HA3 -0.264 3.690 3.960 -0.010 0.000 0.244 61 G C -0.015 174.920 174.900 0.059 0.000 0.982 61 G CA 0.143 45.270 45.100 0.045 0.000 0.641 61 G HN 0.852 9.142 8.290 -0.000 0.000 0.527 62 K N 1.877 122.310 120.400 0.055 0.000 2.350 62 K HA 0.424 4.738 4.320 -0.010 0.000 0.279 62 K C -2.081 174.572 176.600 0.089 0.000 1.027 62 K CA -1.232 55.092 56.287 0.062 0.000 0.969 62 K CB 0.956 33.481 32.500 0.042 0.000 0.954 62 K HN 0.146 8.396 8.250 -0.000 0.000 0.474 63 P HA 0.246 4.666 4.420 -0.000 0.000 0.282 63 P C -1.044 176.294 177.300 0.063 0.000 1.249 63 P CA -0.319 62.893 63.100 0.187 0.000 0.806 63 P CB 0.940 32.874 31.700 0.389 0.000 0.984 64 L N 1.070 122.313 121.223 0.032 0.000 2.393 64 L HA 0.718 5.052 4.340 -0.010 0.000 0.260 64 L C 0.584 177.343 176.870 -0.184 0.000 1.002 64 L CA -0.879 53.907 54.840 -0.091 0.000 0.818 64 L CB 2.531 44.573 42.059 -0.028 0.000 1.369 64 L HN 0.419 8.649 8.230 -0.000 0.000 0.412 65 G N 0.858 109.472 108.800 -0.310 0.000 2.400 65 G HA2 0.729 4.684 3.960 -0.010 0.000 0.333 65 G HA3 0.729 4.684 3.960 -0.010 0.000 0.333 65 G C -1.390 173.545 174.900 0.059 0.000 1.143 65 G CA -0.289 44.637 45.100 -0.290 0.000 0.914 65 G HN 0.483 8.773 8.290 -0.000 0.000 0.480 66 F N -0.082 119.847 119.950 -0.035 0.000 2.643 66 F HA 0.853 5.375 4.527 -0.008 0.000 0.314 66 F C -0.825 174.821 175.800 -0.257 0.000 1.096 66 F CA -1.475 56.473 58.000 -0.085 0.000 0.953 66 F CB 2.107 41.086 39.000 -0.034 0.000 1.345 66 F HN 0.660 8.960 8.300 -0.000 0.000 0.468 67 Q N 1.729 121.371 119.800 -0.262 0.000 2.418 67 Q HA 0.789 5.124 4.340 -0.010 0.000 0.282 67 Q C -2.141 173.825 176.000 -0.057 0.000 1.044 67 Q CA -0.711 54.838 55.803 -0.423 0.000 0.813 67 Q CB 2.592 31.000 28.738 -0.548 0.000 1.428 67 Q HN 0.818 9.088 8.270 -0.000 0.000 0.402 68 I N 1.203 121.709 120.570 -0.107 0.000 2.499 68 I HA 0.592 4.756 4.170 -0.010 0.000 0.288 68 I C -0.948 175.083 176.117 -0.143 0.000 1.048 68 I CA -0.688 60.543 61.300 -0.115 0.000 1.062 68 I CB 2.762 40.747 38.000 -0.025 0.000 1.238 68 I HN 0.705 8.915 8.210 -0.000 0.000 0.426 69 T N 5.431 119.775 114.554 -0.350 0.000 2.824 69 T HA 0.635 4.979 4.350 -0.010 0.000 0.282 69 T C -0.842 173.612 174.700 -0.409 0.000 0.993 69 T CA -0.428 61.510 62.100 -0.270 0.000 0.967 69 T CB 0.893 69.415 68.868 -0.577 0.000 0.960 69 T HN 0.122 8.362 8.240 -0.000 0.000 0.441 70 F N 2.833 122.814 119.950 0.053 0.000 2.495 70 F HA 0.744 5.265 4.527 -0.010 0.000 0.327 70 F C -0.502 175.454 175.800 0.260 0.000 1.103 70 F CA -1.256 56.809 58.000 0.108 0.000 0.949 70 F CB 1.696 40.680 39.000 -0.026 0.000 1.142 70 F HN 0.509 8.809 8.300 -0.000 0.000 0.457 71 F N 4.219 124.207 119.950 0.063 0.000 2.585 71 F HA 0.530 5.051 4.527 -0.009 0.000 0.319 71 F C -1.276 174.469 175.800 -0.092 0.000 1.165 71 F CA -1.110 56.677 58.000 -0.354 0.000 0.949 71 F CB 1.220 39.641 39.000 -0.965 0.000 1.218 71 F HN 0.483 8.783 8.300 -0.000 0.000 0.453 72 R N 4.144 124.547 120.500 -0.161 0.000 2.460 72 R HA 0.671 5.005 4.340 -0.010 0.000 0.303 72 R C -1.267 174.800 176.300 -0.389 0.000 0.968 72 R CA -0.209 55.759 56.100 -0.219 0.000 0.889 72 R CB 1.794 32.156 30.300 0.103 0.000 1.123 72 R HN 0.893 9.163 8.270 -0.000 0.000 0.455 73 T N 1.492 115.803 114.554 -0.405 0.000 2.883 73 T HA 0.754 5.098 4.350 -0.010 0.000 0.301 73 T C -1.391 173.256 174.700 -0.089 0.000 1.158 73 T CA -0.354 61.613 62.100 -0.221 0.000 1.007 73 T CB 1.660 70.394 68.868 -0.224 0.000 1.186 73 T HN 0.723 8.963 8.240 -0.000 0.000 0.499 84 H N 3.375 122.282 119.070 -0.271 0.000 2.560 84 H HA 0.068 4.619 4.556 -0.009 0.000 0.283 84 H C 0.814 175.855 175.328 -0.478 0.000 1.028 84 H CA 1.720 57.483 56.048 -0.475 0.000 1.221 84 H CB -0.260 29.475 29.762 -0.046 0.000 1.363 84 H HN 0.804 9.084 8.280 -0.000 0.000 0.594 85 F N -0.527 118.893 119.950 -0.883 0.000 2.885 85 F HA 0.609 5.130 4.527 -0.009 0.000 0.389 85 F C 0.328 175.888 175.800 -0.401 0.000 0.904 85 F CA -0.241 57.389 58.000 -0.615 0.000 1.047 85 F CB -0.071 38.575 39.000 -0.590 0.000 1.113 85 F HN 0.181 8.481 8.300 -0.000 0.000 0.579 86 A N 3.249 125.218 122.820 -1.418 0.000 2.454 86 A HA 0.544 4.858 4.320 -0.010 0.000 0.260 86 A C -2.332 174.961 177.584 -0.484 0.000 1.106 86 A CA -1.132 50.256 52.037 -1.082 0.000 0.780 86 A CB -0.653 17.787 19.000 -0.933 0.000 1.044 86 A HN 0.189 8.339 8.150 -0.000 0.000 0.498 87 P HA 0.132 4.552 4.420 -0.000 0.000 0.235 87 P C -0.377 176.848 177.300 -0.125 0.000 1.765 87 P CA 0.115 63.114 63.100 -0.168 0.000 1.034 87 P CB 0.410 32.049 31.700 -0.102 0.000 1.984 88 D N -0.170 120.153 120.400 -0.129 0.000 2.202 88 D HA -0.035 4.599 4.640 -0.010 0.000 0.214 88 D C 0.697 176.967 176.300 -0.049 0.000 0.967 88 D CA 1.029 54.977 54.000 -0.086 0.000 0.871 88 D CB 0.157 40.904 40.800 -0.089 0.000 1.020 88 D HN 0.298 8.668 8.370 -0.000 0.000 0.474 89 Q N 0.262 120.038 119.800 -0.040 0.000 2.312 89 Q HA 0.586 4.920 4.340 -0.010 0.000 0.263 89 Q C -1.420 174.559 176.000 -0.035 0.000 0.995 89 Q CA -0.458 55.328 55.803 -0.028 0.000 0.853 89 Q CB 1.524 30.260 28.738 -0.004 0.000 1.300 89 Q HN 0.032 8.302 8.270 -0.000 0.000 0.448 90 L N 4.413 125.597 121.223 -0.064 0.000 2.408 90 L HA 0.591 4.926 4.340 -0.010 0.000 0.268 90 L C -0.899 175.902 176.870 -0.116 0.000 0.986 90 L CA -0.708 54.084 54.840 -0.080 0.000 0.820 90 L CB 2.179 44.176 42.059 -0.103 0.000 1.303 90 L HN 0.610 8.840 8.230 -0.000 0.000 0.411 91 I N 3.819 124.356 120.570 -0.053 0.000 2.389 91 I HA 0.469 4.633 4.170 -0.010 0.000 0.288 91 I C -0.687 175.433 176.117 0.004 0.000 0.999 91 I CA -0.352 60.931 61.300 -0.028 0.000 1.129 91 I CB 1.934 39.962 38.000 0.045 0.000 1.288 91 I HN 0.403 8.613 8.210 -0.000 0.000 0.444 92 I N 5.553 126.118 120.570 -0.009 0.000 2.474 92 I HA 0.764 4.928 4.170 -0.010 0.000 0.294 92 I C -0.151 176.029 176.117 0.105 0.000 1.005 92 I CA -0.355 60.987 61.300 0.070 0.000 1.113 92 I CB 2.014 40.086 38.000 0.120 0.000 1.289 92 I HN 0.633 8.843 8.210 -0.000 0.000 0.436 93 A N 4.250 127.130 122.820 0.100 0.000 2.539 93 A HA 0.910 5.224 4.320 -0.010 0.000 0.296 93 A C -1.446 176.268 177.584 0.217 0.000 1.073 93 A CA -0.486 51.522 52.037 -0.048 0.000 0.700 93 A CB 1.386 20.214 19.000 -0.287 0.000 1.296 93 A HN 0.915 9.065 8.150 -0.000 0.000 0.405 94 H N -1.739 117.363 119.070 0.054 0.000 3.016 94 H HA 0.831 5.381 4.556 -0.010 0.000 0.362 94 H C -1.527 173.762 175.328 -0.065 0.000 1.233 94 H CA -1.041 55.081 56.048 0.124 0.000 1.124 94 H CB 1.400 31.266 29.762 0.173 0.000 1.850 94 H HN 1.090 9.370 8.280 -0.000 0.000 0.549 95 V N 0.682 120.662 119.914 0.110 0.000 3.007 95 V HA 0.950 5.064 4.120 -0.010 0.000 0.311 95 V C -1.314 174.951 176.094 0.286 0.000 1.120 95 V CA -0.066 62.259 62.300 0.042 0.000 0.980 95 V CB 1.604 33.292 31.823 -0.225 0.000 1.033 95 V HN 1.487 9.677 8.190 -0.000 0.000 0.429 96 A N 4.451 127.427 122.820 0.261 0.000 2.594 96 A HA 0.882 5.197 4.320 -0.010 0.000 0.295 96 A C -2.112 175.474 177.584 0.004 0.000 1.071 96 A CA -0.537 51.643 52.037 0.238 0.000 0.685 96 A CB 1.853 20.949 19.000 0.160 0.000 1.285 96 A HN 1.393 9.543 8.150 -0.000 0.000 0.405 97 L N 0.825 121.946 121.223 -0.171 0.000 2.385 97 L HA 0.744 5.078 4.340 -0.010 0.000 0.273 97 L C -0.519 176.250 176.870 -0.168 0.000 0.990 97 L CA 0.132 54.778 54.840 -0.323 0.000 0.821 97 L CB 2.250 43.829 42.059 -0.801 0.000 1.279 97 L HN 0.529 8.759 8.230 -0.000 0.000 0.412 98 S N 3.352 118.955 115.700 -0.161 0.000 2.520 98 S HA 0.405 4.870 4.470 -0.010 0.000 0.324 98 S C -1.148 173.336 174.600 -0.193 0.000 1.069 98 S CA -0.458 57.622 58.200 -0.201 0.000 1.121 98 S CB 0.445 63.468 63.200 -0.293 0.000 0.971 98 S HN 0.572 8.882 8.310 -0.000 0.000 0.463 99 D N 3.476 123.790 120.400 -0.144 0.000 2.425 99 D HA 0.403 5.038 4.640 -0.010 0.000 0.240 99 D C -2.012 174.232 176.300 -0.093 0.000 1.080 99 D CA -2.319 51.619 54.000 -0.104 0.000 0.836 99 D CB 1.888 42.647 40.800 -0.069 0.000 1.125 99 D HN 0.092 8.462 8.370 -0.000 0.000 0.525 100 P HA -0.017 4.403 4.420 -0.000 0.000 0.222 100 P C 0.912 178.187 177.300 -0.041 0.000 1.147 100 P CA 0.738 63.796 63.100 -0.070 0.000 0.790 100 P CB 0.301 31.972 31.700 -0.048 0.000 0.780 101 A N -0.623 122.180 122.820 -0.028 0.000 2.015 101 A HA -0.115 4.199 4.320 -0.010 0.000 0.219 101 A C 1.945 179.523 177.584 -0.010 0.000 1.163 101 A CA 1.144 53.174 52.037 -0.012 0.000 0.646 101 A CB -1.083 17.914 19.000 -0.004 0.000 0.806 101 A HN 0.054 8.204 8.150 -0.000 0.000 0.448 102 I N -1.491 119.068 120.570 -0.018 0.000 2.480 102 I HA 0.078 4.243 4.170 -0.010 0.000 0.251 102 I C 2.083 178.192 176.117 -0.013 0.000 1.124 102 I CA 1.456 62.751 61.300 -0.008 0.000 1.444 102 I CB -1.755 36.243 38.000 -0.004 0.000 1.098 102 I HN 0.493 8.703 8.210 -0.000 0.000 0.428 103 G N 2.210 110.986 108.800 -0.040 0.000 2.179 103 G HA2 -0.282 3.672 3.960 -0.010 0.000 0.260 103 G HA3 -0.282 3.672 3.960 -0.010 0.000 0.260 103 G C 0.353 175.214 174.900 -0.065 0.000 0.977 103 G CA 0.730 45.800 45.100 -0.051 0.000 0.641 103 G HN 0.594 8.884 8.290 -0.000 0.000 0.533 104 K N -0.987 119.379 120.400 -0.056 0.000 2.578 104 K HA 0.720 5.034 4.320 -0.010 0.000 0.287 104 K C -0.284 176.292 176.600 -0.040 0.000 1.010 104 K CA -1.361 54.893 56.287 -0.056 0.000 0.889 104 K CB 0.942 33.456 32.500 0.024 0.000 1.514 104 K HN 0.120 8.370 8.250 -0.000 0.000 0.424 105 L N 1.719 122.924 121.223 -0.030 0.000 2.461 105 L HA 0.116 4.450 4.340 -0.010 0.000 0.272 105 L C 0.083 177.045 176.870 0.154 0.000 1.197 105 L CA -0.122 54.734 54.840 0.027 0.000 0.836 105 L CB 0.553 42.628 42.059 0.028 0.000 1.105 105 L HN 0.553 8.783 8.230 -0.000 0.000 0.477 106 Q N 1.871 121.769 119.800 0.163 0.000 2.290 106 Q HA 0.394 4.728 4.340 -0.010 0.000 0.259 106 Q C -1.098 175.163 176.000 0.435 0.000 0.941 106 Q CA -0.508 55.452 55.803 0.263 0.000 0.912 106 Q CB 1.641 30.568 28.738 0.315 0.000 1.244 106 Q HN 0.613 8.883 8.270 -0.000 0.000 0.441 107 H N -1.184 118.037 119.070 0.252 0.000 3.008 107 H HA 0.723 5.273 4.556 -0.009 0.000 0.354 107 H C -1.610 173.811 175.328 0.156 0.000 1.252 107 H CA -0.985 55.204 56.048 0.236 0.000 1.117 107 H CB 2.109 31.964 29.762 0.155 0.000 1.857 107 H HN 0.390 8.670 8.280 -0.000 0.000 0.547 108 D N 0.046 120.604 120.400 0.263 0.000 2.599 108 D HA 0.264 4.898 4.640 -0.010 0.000 0.252 108 D C -1.433 175.171 176.300 0.506 0.000 1.232 108 D CA -0.398 53.763 54.000 0.268 0.000 0.819 108 D CB 2.352 43.297 40.800 0.242 0.000 1.401 108 D HN 0.764 9.134 8.370 -0.000 0.000 0.429 109 Q N 0.864 120.953 119.800 0.482 0.000 2.426 109 Q HA 0.547 4.881 4.340 -0.010 0.000 0.278 109 Q C -1.515 174.565 176.000 0.134 0.000 1.007 109 Q CA -0.778 55.277 55.803 0.420 0.000 0.850 109 Q CB 2.120 31.066 28.738 0.346 0.000 1.427 109 Q HN 0.412 8.682 8.270 -0.000 0.000 0.391 110 K N 1.171 121.599 120.400 0.047 0.000 2.556 110 K HA 0.760 5.074 4.320 -0.010 0.000 0.274 110 K C -1.320 175.262 176.600 -0.030 0.000 0.966 110 K CA -0.746 55.448 56.287 -0.155 0.000 0.865 110 K CB 2.774 34.927 32.500 -0.578 0.000 1.444 110 K HN 0.705 8.955 8.250 -0.000 0.000 0.433 111 I N 0.521 121.073 120.570 -0.030 0.000 2.692 111 I HA 0.687 4.852 4.170 -0.010 0.000 0.293 111 I C -1.925 174.207 176.117 0.024 0.000 1.200 111 I CA -0.414 60.893 61.300 0.011 0.000 1.036 111 I CB 1.881 39.900 38.000 0.031 0.000 1.258 111 I HN 0.786 8.996 8.210 -0.000 0.000 0.421 112 A N 6.743 129.592 122.820 0.048 0.000 2.454 112 A HA 0.731 5.045 4.320 -0.010 0.000 0.302 112 A C -0.951 176.671 177.584 0.062 0.000 1.079 112 A CA -0.824 51.272 52.037 0.099 0.000 0.731 112 A CB 1.505 20.634 19.000 0.215 0.000 1.299 112 A HN 0.772 8.922 8.150 -0.000 0.000 0.413 113 R N 0.534 121.066 120.500 0.052 0.000 2.489 113 R HA 0.441 4.776 4.340 -0.010 0.000 0.287 113 R C 0.232 176.587 176.300 0.092 0.000 1.053 113 R CA 0.417 56.533 56.100 0.028 0.000 1.036 113 R CB 0.743 31.023 30.300 -0.033 0.000 0.966 113 R HN 0.782 9.052 8.270 -0.000 0.000 0.432 114 A N 1.297 124.155 122.820 0.064 0.000 2.299 114 A HA 0.666 4.981 4.320 -0.010 0.000 0.332 114 A C 1.041 178.676 177.584 0.085 0.000 1.131 114 A CA 0.014 52.098 52.037 0.079 0.000 0.844 114 A CB 1.260 20.285 19.000 0.042 0.000 1.251 114 A HN 0.773 8.923 8.150 -0.000 0.000 0.486 115 G N -1.333 107.516 108.800 0.081 0.000 2.225 115 G HA2 -0.302 3.652 3.960 -0.010 0.000 0.254 115 G HA3 -0.302 3.652 3.960 -0.010 0.000 0.254 115 G C 0.721 175.694 174.900 0.120 0.000 0.988 115 G CA 1.217 46.364 45.100 0.078 0.000 0.625 115 G HN 1.481 9.771 8.290 -0.000 0.000 0.527 116 F N 1.540 121.491 119.950 0.001 0.000 2.298 116 F HA 0.473 4.994 4.527 -0.010 0.000 0.282 116 F C 0.569 176.376 175.800 0.012 0.000 1.045 116 F CA 1.090 59.089 58.000 -0.001 0.000 1.280 116 F CB 0.545 39.535 39.000 -0.017 0.000 1.114 116 F HN 0.043 8.343 8.300 -0.000 0.000 0.546 117 D N 0.846 121.098 120.400 -0.246 0.000 2.408 117 D HA 0.216 4.850 4.640 -0.010 0.000 0.261 117 D C 0.893 177.172 176.300 -0.035 0.000 1.190 117 D CA -0.082 53.753 54.000 -0.275 0.000 0.910 117 D CB 0.426 41.071 40.800 -0.259 0.000 1.097 117 D HN 0.257 8.627 8.370 -0.000 0.000 0.522 118 L N 1.981 123.172 121.223 -0.053 0.000 2.191 118 L HA -0.100 4.234 4.340 -0.010 0.000 0.212 118 L C 2.312 179.177 176.870 -0.008 0.000 1.103 118 L CA 1.140 55.969 54.840 -0.017 0.000 0.769 118 L CB -0.447 41.593 42.059 -0.031 0.000 0.908 118 L HN 0.392 8.622 8.230 -0.000 0.000 0.438 119 A N -0.471 122.344 122.820 -0.008 0.000 1.933 119 A HA -0.272 4.042 4.320 -0.010 0.000 0.218 119 A C 2.162 179.774 177.584 0.046 0.000 1.175 119 A CA 1.577 53.618 52.037 0.007 0.000 0.628 119 A CB -0.661 18.342 19.000 0.004 0.000 0.814 119 A HN 0.443 8.593 8.150 -0.000 0.000 0.444 120 Y N -0.583 119.695 120.300 -0.038 0.000 2.231 120 Y HA 0.379 4.924 4.550 -0.009 0.000 0.294 120 Y C 0.941 176.835 175.900 -0.009 0.000 1.120 120 Y CA 0.943 59.034 58.100 -0.016 0.000 1.141 120 Y CB -0.013 38.450 38.460 0.006 0.000 1.022 120 Y HN 0.353 8.633 8.280 -0.000 0.000 0.523 121 A N 0.478 123.374 122.820 0.127 0.000 2.429 121 A HA 0.744 5.058 4.320 -0.010 0.000 0.289 121 A C -1.142 176.460 177.584 0.031 0.000 1.043 121 A CA -0.696 51.370 52.037 0.049 0.000 0.722 121 A CB 1.059 20.150 19.000 0.151 0.000 1.243 121 A HN 0.412 8.562 8.150 -0.000 0.000 0.415 122 R N -0.307 120.172 120.500 -0.035 0.000 2.690 122 R HA 0.797 5.131 4.340 -0.010 0.000 0.269 122 R C -1.251 174.977 176.300 -0.120 0.000 1.037 122 R CA -0.351 55.720 56.100 -0.048 0.000 0.877 122 R CB 1.339 31.613 30.300 -0.044 0.000 1.255 122 R HN 0.791 9.061 8.270 -0.000 0.000 0.467 123 T N -0.649 113.855 114.554 -0.084 0.000 2.864 123 T HA 0.723 5.067 4.350 -0.010 0.000 0.299 123 T C -0.034 174.661 174.700 -0.008 0.000 1.011 123 T CA -0.192 61.843 62.100 -0.108 0.000 0.975 123 T CB 1.557 70.427 68.868 0.003 0.000 0.962 123 T HN 0.843 9.083 8.240 -0.000 0.000 0.448 124 G N 2.121 110.908 108.800 -0.021 0.000 3.247 124 G HA2 0.388 4.342 3.960 -0.010 0.000 0.226 124 G HA3 0.388 4.342 3.960 -0.010 0.000 0.226 124 G C 0.399 175.314 174.900 0.025 0.000 1.220 124 G CA -0.747 44.354 45.100 0.002 0.000 0.875 124 G HN 0.488 8.778 8.290 -0.000 0.000 0.606 125 N N -0.070 118.634 118.700 0.008 0.000 2.270 125 N HA -0.041 4.693 4.740 -0.010 0.000 0.181 125 N C 1.948 177.487 175.510 0.048 0.000 1.016 125 N CA 1.944 55.003 53.050 0.016 0.000 0.870 125 N CB 0.092 38.579 38.487 -0.001 0.000 0.979 125 N HN 0.567 8.947 8.380 -0.000 0.000 0.431 126 T N -3.433 111.135 114.554 0.025 0.000 2.986 126 T HA 0.149 4.493 4.350 -0.010 0.000 0.264 126 T C -0.144 174.555 174.700 -0.001 0.000 0.964 126 T CA -0.372 61.739 62.100 0.018 0.000 0.895 126 T CB 0.529 69.383 68.868 -0.023 0.000 1.163 126 T HN 0.136 8.376 8.240 -0.000 0.000 0.517 127 D N 0.137 120.517 120.400 -0.033 0.000 2.626 127 D HA 0.601 5.236 4.640 -0.010 0.000 0.278 127 D C -1.457 174.709 176.300 -0.224 0.000 1.211 127 D CA -0.949 52.987 54.000 -0.106 0.000 0.903 127 D CB 1.455 42.182 40.800 -0.122 0.000 1.408 127 D HN 0.044 8.414 8.370 -0.000 0.000 0.454 128 V N -0.500 119.180 119.914 -0.389 0.000 2.709 128 V HA 0.662 4.777 4.120 -0.010 0.000 0.308 128 V C -0.706 175.063 176.094 -0.542 0.000 1.062 128 V CA -0.747 61.158 62.300 -0.659 0.000 0.901 128 V CB 1.763 32.794 31.823 -1.320 0.000 1.003 128 V HN 0.717 8.907 8.190 -0.000 0.000 0.425 129 K N 4.037 124.215 120.400 -0.370 0.000 2.553 129 K HA 0.641 4.955 4.320 -0.010 0.000 0.250 129 K C -2.164 174.396 176.600 -0.067 0.000 0.953 129 K CA -0.603 55.583 56.287 -0.169 0.000 0.800 129 K CB 2.301 34.724 32.500 -0.129 0.000 1.243 129 K HN 0.660 8.910 8.250 -0.000 0.000 0.435 130 L N 4.852 126.121 121.223 0.078 0.000 2.372 130 L HA 0.287 4.621 4.340 -0.010 0.000 0.273 130 L C -0.207 176.504 176.870 -0.266 0.000 0.989 130 L CA -0.081 54.742 54.840 -0.028 0.000 0.841 130 L CB 1.036 43.195 42.059 0.165 0.000 1.225 130 L HN 1.051 9.281 8.230 -0.000 0.000 0.414 131 D N 2.110 122.093 120.400 -0.693 0.000 3.608 131 D HA -0.321 4.314 4.640 -0.010 0.000 0.152 131 D C 0.563 176.648 176.300 -0.358 0.000 0.971 131 D CA 2.116 55.604 54.000 -0.854 0.000 1.072 131 D CB -0.116 40.297 40.800 -0.646 0.000 0.507 131 D HN 0.712 9.082 8.370 -0.000 0.000 0.520 132 D N -1.097 119.186 120.400 -0.195 0.000 2.323 132 D HA 0.019 4.653 4.640 -0.010 0.000 0.209 132 D C 0.219 176.637 176.300 0.196 0.000 0.973 132 D CA 0.159 54.159 54.000 0.000 0.000 0.874 132 D CB -0.262 40.567 40.800 0.048 0.000 0.930 132 D HN 0.265 8.635 8.370 -0.000 0.000 0.521 133 W N 1.575 122.864 121.300 -0.018 0.000 2.381 133 W HA 0.326 4.980 4.660 -0.009 0.000 0.321 133 W C 0.557 177.156 176.519 0.134 0.000 1.407 133 W CA -0.679 56.724 57.345 0.097 0.000 1.274 133 W CB -0.475 29.076 29.460 0.151 0.000 1.310 133 W HN -0.194 7.986 8.180 -0.000 0.000 0.551 134 I N 4.220 124.968 120.570 0.297 0.000 2.769 134 I HA 0.518 4.682 4.170 -0.010 0.000 0.298 134 I C -1.724 174.467 176.117 0.124 0.000 1.128 134 I CA -1.216 60.150 61.300 0.110 0.000 1.031 134 I CB 1.926 39.942 38.000 0.026 0.000 1.235 134 I HN 0.131 8.341 8.210 -0.000 0.000 0.423 135 F N 7.257 127.066 119.950 -0.234 0.000 2.562 135 F HA 0.695 5.216 4.527 -0.010 0.000 0.319 135 F C -1.789 173.924 175.800 -0.145 0.000 1.154 135 F CA -0.394 57.504 58.000 -0.170 0.000 0.931 135 F CB 1.495 40.332 39.000 -0.271 0.000 1.198 135 F HN 0.068 8.368 8.300 -0.000 0.000 0.444 136 V N 6.345 125.984 119.914 -0.459 0.000 2.760 136 V HA 0.515 4.630 4.120 -0.010 0.000 0.309 136 V C -0.743 175.188 176.094 -0.272 0.000 1.077 136 V CA -0.907 61.239 62.300 -0.257 0.000 0.910 136 V CB 2.125 33.847 31.823 -0.168 0.000 1.008 136 V HN 0.727 8.917 8.190 -0.000 0.000 0.424 137 R N 3.249 123.651 120.500 -0.164 0.000 2.229 137 R HA 0.388 4.722 4.340 -0.010 0.000 0.332 137 R C -0.197 175.939 176.300 -0.274 0.000 0.989 137 R CA -0.534 55.376 56.100 -0.318 0.000 0.842 137 R CB 0.873 30.984 30.300 -0.315 0.000 1.119 137 R HN 0.717 8.987 8.270 -0.000 0.000 0.456 138 E N 1.974 121.987 120.200 -0.311 0.000 2.392 138 E HA -0.007 4.337 4.350 -0.010 0.000 0.259 138 E C 0.691 177.160 176.600 -0.219 0.000 1.108 138 E CA 0.087 56.356 56.400 -0.218 0.000 0.916 138 E CB 0.966 30.553 29.700 -0.189 0.000 0.989 138 E HN 0.590 8.950 8.360 -0.000 0.000 0.432 139 T N 1.343 115.811 114.554 -0.143 0.000 2.759 139 T HA -0.185 4.159 4.350 -0.010 0.000 0.269 139 T C 1.113 175.735 174.700 -0.130 0.000 1.042 139 T CA 1.839 63.871 62.100 -0.113 0.000 1.140 139 T CB -0.221 68.605 68.868 -0.069 0.000 0.864 139 T HN 0.526 8.766 8.240 -0.000 0.000 0.455 140 D N 0.235 120.554 120.400 -0.136 0.000 2.371 140 D HA 0.134 4.769 4.640 -0.010 0.000 0.221 140 D C 1.501 177.689 176.300 -0.186 0.000 0.986 140 D CA 0.995 54.918 54.000 -0.128 0.000 0.899 140 D CB -0.567 40.176 40.800 -0.094 0.000 0.902 140 D HN 0.513 8.883 8.370 -0.000 0.000 0.530 141 G N -0.163 108.455 108.800 -0.303 0.000 2.218 141 G HA2 -0.264 3.690 3.960 -0.010 0.000 0.216 141 G HA3 -0.264 3.690 3.960 -0.010 0.000 0.216 141 G C 0.306 174.888 174.900 -0.530 0.000 0.994 141 G CA -0.183 44.646 45.100 -0.453 0.000 0.637 141 G HN 0.437 8.727 8.290 -0.000 0.000 0.505 142 R N -0.163 120.121 120.500 -0.361 0.000 2.543 142 R HA 0.481 4.815 4.340 -0.010 0.000 0.277 142 R C -0.570 175.470 176.300 -0.433 0.000 1.074 142 R CA -0.049 55.883 56.100 -0.279 0.000 1.076 142 R CB 0.327 30.545 30.300 -0.137 0.000 0.993 142 R HN 0.280 8.550 8.270 -0.000 0.000 0.459 143 Y N 1.511 121.741 120.300 -0.118 0.000 2.342 143 Y HA 0.343 4.887 4.550 -0.010 0.000 0.334 143 Y C 0.534 176.332 175.900 -0.171 0.000 1.067 143 Y CA -0.548 57.410 58.100 -0.236 0.000 1.128 143 Y CB 1.259 39.567 38.460 -0.253 0.000 1.200 143 Y HN 0.245 8.525 8.280 -0.000 0.000 0.464 144 R N 1.295 121.733 120.500 -0.103 0.000 2.637 144 R HA 0.678 5.012 4.340 -0.010 0.000 0.291 144 R C -0.922 175.335 176.300 -0.071 0.000 0.963 144 R CA -0.874 55.199 56.100 -0.045 0.000 0.901 144 R CB 2.184 32.451 30.300 -0.055 0.000 1.160 144 R HN 0.596 8.866 8.270 -0.000 0.000 0.457 145 T N 1.440 116.017 114.554 0.038 0.000 2.952 145 T HA 0.373 4.717 4.350 -0.010 0.000 0.305 145 T C -1.471 173.232 174.700 0.005 0.000 1.064 145 T CA -0.775 61.376 62.100 0.085 0.000 1.008 145 T CB 1.263 70.312 68.868 0.301 0.000 1.078 145 T HN 0.597 8.837 8.240 -0.000 0.000 0.459 146 R N 4.879 125.383 120.500 0.008 0.000 2.476 146 R HA 0.650 4.984 4.340 -0.010 0.000 0.305 146 R C -1.293 174.985 176.300 -0.036 0.000 0.965 146 R CA -0.697 55.377 56.100 -0.043 0.000 0.867 146 R CB 0.639 30.931 30.300 -0.012 0.000 1.176 146 R HN 0.466 8.736 8.270 -0.000 0.000 0.447 147 I N 4.349 124.820 120.570 -0.166 0.000 2.521 147 I HA 0.183 4.348 4.170 -0.010 0.000 0.277 147 I C -0.534 175.420 176.117 -0.272 0.000 1.054 147 I CA -0.387 60.696 61.300 -0.362 0.000 1.117 147 I CB 1.531 39.200 38.000 -0.551 0.000 1.217 147 I HN 0.751 8.961 8.210 -0.000 0.000 0.469 148 E N 4.907 125.084 120.200 -0.038 0.000 2.052 148 E HA 0.582 4.926 4.350 -0.010 0.000 0.283 148 E C -0.387 176.290 176.600 0.129 0.000 1.071 148 E CA -0.223 56.194 56.400 0.029 0.000 0.851 148 E CB 1.064 30.817 29.700 0.089 0.000 1.066 148 E HN 0.725 9.085 8.360 -0.000 0.000 0.396 149 A N 3.772 126.478 122.820 -0.190 0.000 2.263 149 A HA 0.230 4.544 4.320 -0.010 0.000 0.318 149 A C 0.923 178.361 177.584 -0.245 0.000 1.111 149 A CA -0.488 51.402 52.037 -0.245 0.000 0.901 149 A CB 0.902 19.373 19.000 -0.881 0.000 1.280 149 A HN 0.738 8.888 8.150 -0.000 0.000 0.503 150 E N -0.229 119.847 120.200 -0.207 0.000 2.058 150 E HA -0.177 4.167 4.350 -0.010 0.000 0.194 150 E C 0.491 177.005 176.600 -0.144 0.000 0.997 150 E CA 2.422 58.739 56.400 -0.138 0.000 0.801 150 E CB 0.030 29.667 29.700 -0.106 0.000 0.746 150 E HN 0.608 8.968 8.360 -0.000 0.000 0.450 151 D N -1.655 118.619 120.400 -0.209 0.000 2.433 151 D HA 0.154 4.789 4.640 -0.010 0.000 0.211 151 D C -0.304 176.030 176.300 0.057 0.000 1.114 151 D CA 0.049 54.019 54.000 -0.049 0.000 0.837 151 D CB 0.499 41.324 40.800 0.042 0.000 0.984 151 D HN 0.174 8.544 8.370 -0.000 0.000 0.505 152 F N -1.355 118.586 119.950 -0.015 0.000 2.686 152 F HA 0.628 5.149 4.527 -0.009 0.000 0.311 152 F C -0.927 174.836 175.800 -0.062 0.000 1.128 152 F CA -1.050 56.929 58.000 -0.036 0.000 0.946 152 F CB 1.096 40.071 39.000 -0.043 0.000 1.336 152 F HN -0.452 7.848 8.300 -0.000 0.000 0.457 153 T N 2.831 117.474 114.554 0.149 0.000 2.824 153 T HA 0.643 4.987 4.350 -0.010 0.000 0.282 153 T C -0.836 173.842 174.700 -0.036 0.000 0.993 153 T CA -0.581 61.531 62.100 0.021 0.000 0.967 153 T CB 1.432 70.282 68.868 -0.029 0.000 0.960 153 T HN 0.619 8.859 8.240 -0.000 0.000 0.441 154 L N 3.234 124.329 121.223 -0.212 0.000 2.287 154 L HA 0.545 4.880 4.340 -0.010 0.000 0.287 154 L C -0.007 176.453 176.870 -0.682 0.000 1.022 154 L CA -0.706 53.698 54.840 -0.728 0.000 0.814 154 L CB 1.123 42.605 42.059 -0.963 0.000 1.217 154 L HN 0.614 8.844 8.230 -0.000 0.000 0.420 155 T N 3.046 117.211 114.554 -0.649 0.000 2.991 155 T HA 0.577 4.921 4.350 -0.010 0.000 0.347 155 T C -0.728 173.960 174.700 -0.019 0.000 1.122 155 T CA -0.344 61.594 62.100 -0.269 0.000 1.062 155 T CB 0.197 69.010 68.868 -0.092 0.000 1.043 155 T HN 0.076 8.316 8.240 -0.000 0.000 0.491 156 F N 1.692 121.619 119.950 -0.040 0.000 2.577 156 F HA 0.664 5.185 4.527 -0.009 0.000 0.318 156 F C 0.016 175.817 175.800 0.001 0.000 1.065 156 F CA -2.273 55.703 58.000 -0.041 0.000 0.929 156 F CB 1.312 40.260 39.000 -0.086 0.000 1.237 156 F HN 0.302 8.602 8.300 -0.000 0.000 0.468 157 I N 3.388 124.089 120.570 0.218 0.000 2.404 157 I HA 0.419 4.583 4.170 -0.010 0.000 0.293 157 I C -1.045 175.154 176.117 0.138 0.000 0.992 157 I CA -0.661 60.719 61.300 0.133 0.000 1.149 157 I CB 1.800 39.841 38.000 0.068 0.000 1.315 157 I HN 0.254 8.464 8.210 -0.000 0.000 0.446 158 L N 5.777 127.108 121.223 0.181 0.000 2.316 158 L HA 0.470 4.805 4.340 -0.010 0.000 0.280 158 L C -0.549 176.436 176.870 0.191 0.000 1.006 158 L CA -0.372 54.600 54.840 0.220 0.000 0.836 158 L CB 1.576 43.839 42.059 0.339 0.000 1.221 158 L HN 0.529 8.759 8.230 -0.000 0.000 0.418 159 T N 3.486 118.116 114.554 0.127 0.000 2.772 159 T HA 0.374 4.718 4.350 -0.010 0.000 0.288 159 T C -2.474 172.278 174.700 0.086 0.000 0.994 159 T CA -1.447 60.697 62.100 0.072 0.000 0.951 159 T CB 1.601 70.491 68.868 0.038 0.000 0.933 159 T HN 0.220 8.460 8.240 -0.000 0.000 0.447 160 P HA 0.102 4.522 4.420 -0.000 0.000 0.267 160 P C 0.433 177.763 177.300 0.051 0.000 1.200 160 P CA -0.072 63.074 63.100 0.077 0.000 0.772 160 P CB 0.571 32.301 31.700 0.050 0.000 0.855 161 S N 0.010 115.745 115.700 0.058 0.000 2.687 161 S HA 0.187 4.651 4.470 -0.010 0.000 0.247 161 S C 0.251 174.860 174.600 0.015 0.000 1.050 161 S CA -0.197 58.025 58.200 0.036 0.000 1.063 161 S CB 0.043 63.271 63.200 0.047 0.000 1.039 161 S HN 0.465 8.775 8.310 -0.000 0.000 0.580 162 Q N 0.911 120.723 119.800 0.021 0.000 2.495 162 Q HA 0.569 4.903 4.340 -0.010 0.000 0.287 162 Q C -3.062 172.939 176.000 0.002 0.000 1.078 162 Q CA -2.321 53.484 55.803 0.003 0.000 0.793 162 Q CB 1.008 29.748 28.738 0.002 0.000 1.459 162 Q HN 0.107 8.377 8.270 -0.000 0.000 0.422 163 P HA -0.003 4.417 4.420 -0.000 0.000 0.268 163 P C -0.690 176.590 177.300 -0.034 0.000 1.208 163 P CA -0.328 62.757 63.100 -0.024 0.000 0.777 163 P CB 0.224 31.908 31.700 -0.027 0.000 0.875 167 Q N 1.029 120.890 119.800 0.101 0.000 2.193 167 Q HA 0.660 4.994 4.340 -0.010 0.000 0.246 167 Q C 0.765 176.805 176.000 0.066 0.000 0.959 167 Q CA 0.367 56.189 55.803 0.032 0.000 0.904 167 Q CB 1.821 30.358 28.738 -0.335 0.000 1.238 167 Q HN 0.829 9.099 8.270 -0.000 0.000 0.469 168 G N 0.989 109.876 108.800 0.146 0.000 2.614 168 G HA2 -0.355 3.599 3.960 -0.010 0.000 0.303 168 G HA3 -0.355 3.599 3.960 -0.010 0.000 0.303 168 G C -0.403 174.622 174.900 0.208 0.000 1.270 168 G CA 0.404 45.627 45.100 0.207 0.000 0.988 168 G HN 0.531 8.822 8.290 -0.000 0.000 0.551 169 E N 1.622 121.960 120.200 0.231 0.000 1.924 169 E HA 0.424 4.769 4.350 -0.010 0.000 0.261 169 E C 0.778 177.498 176.600 0.201 0.000 1.088 169 E CA 0.752 57.278 56.400 0.211 0.000 0.909 169 E CB -1.135 28.710 29.700 0.242 0.000 1.112 169 E HN 0.860 9.220 8.360 -0.000 0.000 0.425 170 N N 2.568 121.359 118.700 0.153 0.000 2.735 170 N HA -0.300 4.435 4.740 -0.010 0.000 0.248 170 N C 0.840 176.456 175.510 0.176 0.000 1.083 170 N CA 0.777 53.911 53.050 0.140 0.000 0.703 170 N CB -1.119 37.434 38.487 0.110 0.000 1.005 170 N HN 0.837 9.217 8.380 -0.000 0.000 0.550 171 G N -1.038 107.875 108.800 0.188 0.000 2.213 171 G HA2 -0.332 3.623 3.960 -0.010 0.000 0.236 171 G HA3 -0.332 3.623 3.960 -0.010 0.000 0.236 171 G C -0.008 175.019 174.900 0.213 0.000 0.991 171 G CA 0.039 45.258 45.100 0.198 0.000 0.629 171 G HN 0.496 8.786 8.290 -0.000 0.000 0.517 172 F N 3.000 123.017 119.950 0.112 0.000 2.413 172 F HA 0.666 5.187 4.527 -0.011 0.000 0.359 172 F C 0.404 176.192 175.800 -0.019 0.000 1.122 172 F CA -0.232 57.791 58.000 0.038 0.000 1.160 172 F CB 1.341 40.377 39.000 0.061 0.000 1.146 172 F HN 0.151 8.451 8.300 -0.000 0.000 0.514 173 S N 7.600 122.950 115.700 -0.583 0.000 2.566 173 S HA 0.430 4.894 4.470 -0.010 0.000 0.324 173 S C -0.447 173.803 174.600 -0.582 0.000 1.081 173 S CA -0.873 57.072 58.200 -0.425 0.000 1.105 173 S CB 0.491 63.538 63.200 -0.255 0.000 0.981 173 S HN 0.901 9.211 8.310 -0.000 0.000 0.464 174 R N 3.210 123.486 120.500 -0.374 0.000 2.490 174 R HA 0.414 4.748 4.340 -0.010 0.000 0.278 174 R C 0.743 176.855 176.300 -0.313 0.000 1.069 174 R CA -0.163 55.699 56.100 -0.397 0.000 1.080 174 R CB 0.367 30.560 30.300 -0.179 0.000 1.030 174 R HN 0.801 9.071 8.270 -0.000 0.000 0.491 175 K N 1.632 121.681 120.400 -0.586 0.000 2.589 175 K HA 0.321 4.635 4.320 -0.010 0.000 0.198 175 K C -0.343 175.932 176.600 -0.543 0.000 1.114 175 K CA -0.297 55.758 56.287 -0.387 0.000 1.070 175 K CB 1.301 33.610 32.500 -0.318 0.000 0.860 175 K HN 0.669 8.919 8.250 -0.000 0.000 0.536 176 G N 1.500 109.617 108.800 -1.139 0.000 2.368 176 G HA2 0.219 4.173 3.960 -0.010 0.000 0.293 176 G HA3 0.219 4.173 3.960 -0.010 0.000 0.293 176 G C -2.909 171.431 174.900 -0.934 0.000 1.467 176 G CA -0.921 43.758 45.100 -0.702 0.000 0.804 176 G HN -0.213 8.077 8.290 -0.000 0.000 0.535 177 P HA 0.106 4.526 4.420 -0.000 0.000 0.222 177 P C 1.353 178.586 177.300 -0.111 0.000 1.153 177 P CA 1.112 64.136 63.100 -0.126 0.000 0.798 177 P CB 0.141 31.940 31.700 0.165 0.000 0.796 178 G N 0.117 108.852 108.800 -0.107 0.000 2.491 178 G HA2 0.203 4.157 3.960 -0.010 0.000 0.238 178 G HA3 0.203 4.157 3.960 -0.010 0.000 0.238 178 G C 1.352 176.205 174.900 -0.079 0.000 1.277 178 G CA 0.266 45.327 45.100 -0.064 0.000 0.851 178 G HN 0.201 8.491 8.290 -0.000 0.000 0.573 179 A N 3.297 126.100 122.820 -0.028 0.000 1.908 179 A HA -0.041 4.273 4.320 -0.010 0.000 0.218 179 A C 0.636 178.220 177.584 0.000 0.000 1.181 179 A CA 1.867 53.903 52.037 -0.001 0.000 0.627 179 A CB -1.031 17.976 19.000 0.012 0.000 0.818 179 A HN 0.551 8.701 8.150 -0.000 0.000 0.445 180 P HA 0.006 4.426 4.420 -0.000 0.000 0.242 180 P C 0.043 177.289 177.300 -0.090 0.000 1.197 180 P CA 0.406 63.489 63.100 -0.029 0.000 0.765 180 P CB 0.099 31.786 31.700 -0.022 0.000 0.936 181 Q N 0.573 120.288 119.800 -0.142 0.000 2.844 181 Q HA 0.534 4.869 4.340 -0.010 0.000 0.235 181 Q C -0.143 175.651 176.000 -0.344 0.000 1.336 181 Q CA -0.069 55.598 55.803 -0.227 0.000 1.026 181 Q CB 0.344 28.931 28.738 -0.252 0.000 1.513 181 Q HN 0.124 8.394 8.270 -0.000 0.000 0.577 182 A N 0.660 123.260 122.820 -0.366 0.000 2.610 182 A HA 0.821 5.135 4.320 -0.010 0.000 0.291 182 A C -0.897 176.328 177.584 -0.599 0.000 1.086 182 A CA -0.500 51.182 52.037 -0.591 0.000 0.677 182 A CB 1.675 20.130 19.000 -0.908 0.000 1.278 182 A HN 0.313 8.463 8.150 -0.000 0.000 0.414 183 S N -0.708 114.554 115.700 -0.730 0.000 2.570 183 S HA 0.698 5.162 4.470 -0.010 0.000 0.286 183 S C -1.622 172.468 174.600 -0.850 0.000 1.099 183 S CA -0.295 57.476 58.200 -0.715 0.000 0.913 183 S CB 0.879 63.727 63.200 -0.587 0.000 1.085 183 S HN 0.462 8.772 8.310 -0.000 0.000 0.480 184 Y N 1.637 121.396 120.300 -0.900 0.000 2.304 184 Y HA 0.566 5.110 4.550 -0.011 0.000 0.328 184 Y C -0.315 174.990 175.900 -0.992 0.000 1.123 184 Y CA -0.291 57.160 58.100 -1.081 0.000 1.218 184 Y CB 0.495 37.867 38.460 -1.812 0.000 1.207 184 Y HN 0.568 8.848 8.280 -0.000 0.000 0.495 185 Y N 4.783 124.808 120.300 -0.459 0.000 2.348 185 Y HA 0.361 4.908 4.550 -0.006 0.000 0.321 185 Y C -1.752 174.183 175.900 0.059 0.000 1.163 185 Y CA -2.136 55.812 58.100 -0.254 0.000 1.070 185 Y CB 0.608 38.903 38.460 -0.276 0.000 1.250 185 Y HN 0.617 8.897 8.280 -0.000 0.000 0.425 186 Y N 0.782 121.333 120.300 0.418 0.000 2.644 186 Y HA 0.929 5.472 4.550 -0.011 0.000 0.338 186 Y C -1.233 174.856 175.900 0.315 0.000 1.119 186 Y CA -1.317 56.948 58.100 0.275 0.000 1.060 186 Y CB 1.572 40.191 38.460 0.264 0.000 1.294 186 Y HN 0.312 8.592 8.280 -0.000 0.000 0.472 187 S N 0.216 116.106 115.700 0.317 0.000 2.570 187 S HA 0.433 4.897 4.470 -0.010 0.000 0.286 187 S C -1.469 173.150 174.600 0.032 0.000 1.099 187 S CA -1.115 57.148 58.200 0.106 0.000 0.913 187 S CB 1.758 64.963 63.200 0.009 0.000 1.085 187 S HN 0.624 8.934 8.310 -0.000 0.000 0.480 188 E N 2.856 122.986 120.200 -0.117 0.000 2.183 188 E HA 0.296 4.641 4.350 -0.010 0.000 0.250 188 E C -2.533 173.799 176.600 -0.446 0.000 0.901 188 E CA -1.853 54.473 56.400 -0.123 0.000 0.741 188 E CB 1.443 31.231 29.700 0.146 0.000 1.182 188 E HN 0.301 8.661 8.360 -0.000 0.000 0.425 189 P HA 0.086 4.506 4.420 -0.000 0.000 0.278 189 P C -0.191 177.038 177.300 -0.119 0.000 1.266 189 P CA -0.203 62.483 63.100 -0.690 0.000 0.807 189 P CB 0.796 32.053 31.700 -0.738 0.000 1.094 190 H N -1.691 117.375 119.070 -0.006 0.000 2.791 190 H HA -0.124 4.425 4.556 -0.012 0.000 0.302 190 H C -0.246 175.116 175.328 0.056 0.000 1.198 190 H CA 0.292 56.371 56.048 0.052 0.000 1.145 190 H CB -1.953 27.825 29.762 0.027 0.000 1.385 190 H HN 0.376 8.656 8.280 -0.000 0.000 0.409 191 L N 1.625 122.928 121.223 0.135 0.000 2.462 191 L HA 0.025 4.360 4.340 -0.010 0.000 0.272 191 L C 1.030 177.990 176.870 0.151 0.000 1.166 191 L CA 0.302 55.233 54.840 0.151 0.000 0.880 191 L CB 0.495 42.659 42.059 0.175 0.000 1.142 191 L HN 0.011 8.241 8.230 -0.000 0.000 0.473 192 Q N 3.258 123.133 119.800 0.125 0.000 2.267 192 Q HA 0.331 4.666 4.340 -0.010 0.000 0.255 192 Q C -0.509 175.537 176.000 0.076 0.000 0.923 192 Q CA -0.342 55.519 55.803 0.096 0.000 0.925 192 Q CB 1.920 30.701 28.738 0.071 0.000 1.195 192 Q HN 0.340 8.610 8.270 -0.000 0.000 0.417 193 V N 2.424 122.361 119.914 0.039 0.000 2.394 193 V HA 0.543 4.657 4.120 -0.010 0.000 0.282 193 V C 0.214 176.246 176.094 -0.103 0.000 1.031 193 V CA -0.437 61.829 62.300 -0.056 0.000 0.881 193 V CB 1.372 33.105 31.823 -0.150 0.000 0.982 193 V HN 0.893 9.083 8.190 -0.000 0.000 0.451 194 S N 3.055 118.696 115.700 -0.098 0.000 2.632 194 S HA 1.038 5.502 4.470 -0.010 0.000 0.289 194 S C -0.117 174.459 174.600 -0.039 0.000 1.115 194 S CA 0.055 58.212 58.200 -0.072 0.000 0.889 194 S CB 2.355 65.550 63.200 -0.009 0.000 1.116 194 S HN 1.916 10.226 8.310 -0.000 0.000 0.486 195 G N 0.463 109.276 108.800 0.021 0.000 2.250 195 G HA2 0.182 4.136 3.960 -0.010 0.000 0.252 195 G HA3 0.182 4.136 3.960 -0.010 0.000 0.252 195 G C -1.790 173.222 174.900 0.188 0.000 1.325 195 G CA -0.410 44.782 45.100 0.154 0.000 1.091 195 G HN 1.118 9.408 8.290 -0.000 0.000 0.476 196 I N 0.803 121.546 120.570 0.288 0.000 2.569 196 I HA 0.516 4.680 4.170 -0.010 0.000 0.290 196 I C -0.320 175.898 176.117 0.169 0.000 1.088 196 I CA -0.767 60.639 61.300 0.178 0.000 1.047 196 I CB 2.103 40.152 38.000 0.083 0.000 1.237 196 I HN 0.420 8.630 8.210 -0.000 0.000 0.421 197 I N 5.140 125.799 120.570 0.148 0.000 2.377 197 I HA 0.330 4.495 4.170 -0.010 0.000 0.293 197 I C -0.245 175.903 176.117 0.052 0.000 0.987 197 I CA -0.580 60.763 61.300 0.071 0.000 1.185 197 I CB 1.604 39.657 38.000 0.089 0.000 1.341 197 I HN 0.560 8.770 8.210 -0.000 0.000 0.455 198 N N 7.070 125.797 118.700 0.044 0.000 2.408 198 N HA 0.477 5.211 4.740 -0.010 0.000 0.280 198 N C -1.232 174.328 175.510 0.084 0.000 1.002 198 N CA -0.492 52.588 53.050 0.050 0.000 0.907 198 N CB 1.289 39.795 38.487 0.031 0.000 1.161 198 N HN 0.648 9.028 8.380 -0.000 0.000 0.488 199 R N 1.816 122.360 120.500 0.073 0.000 2.651 199 R HA 0.408 4.742 4.340 -0.010 0.000 0.278 199 R C -0.037 176.296 176.300 0.055 0.000 1.010 199 R CA -0.478 55.674 56.100 0.086 0.000 0.896 199 R CB 0.980 31.335 30.300 0.092 0.000 1.211 199 R HN 0.530 8.800 8.270 -0.000 0.000 0.456 200 Q N 0.535 120.364 119.800 0.049 0.000 2.494 200 Q HA -0.143 4.191 4.340 -0.010 0.000 0.272 200 Q C 0.750 176.766 176.000 0.028 0.000 1.145 200 Q CA 1.743 57.566 55.803 0.034 0.000 0.943 200 Q CB -2.768 25.989 28.738 0.032 0.000 1.338 200 Q HN 1.921 10.191 8.270 -0.000 0.000 0.492 201 G N -0.959 107.857 108.800 0.027 0.000 2.371 201 G HA2 -0.088 3.867 3.960 -0.010 0.000 0.299 201 G HA3 -0.088 3.867 3.960 -0.010 0.000 0.299 201 G C -0.133 174.780 174.900 0.023 0.000 1.014 201 G CA 1.178 46.291 45.100 0.022 0.000 1.097 201 G HN 1.919 10.209 8.290 -0.000 0.000 0.512 202 E N 0.272 120.489 120.200 0.028 0.000 2.274 202 E HA 0.344 4.688 4.350 -0.010 0.000 0.269 202 E C -1.418 175.200 176.600 0.031 0.000 0.891 202 E CA -0.934 55.482 56.400 0.027 0.000 0.784 202 E CB 1.188 30.905 29.700 0.027 0.000 1.225 202 E HN 0.050 8.410 8.360 -0.000 0.000 0.412 203 D N 4.319 124.736 120.400 0.028 0.000 2.277 203 D HA 0.279 4.913 4.640 -0.010 0.000 0.249 203 D C -0.382 175.939 176.300 0.035 0.000 1.134 203 D CA -0.024 53.995 54.000 0.032 0.000 0.863 203 D CB 1.032 41.849 40.800 0.027 0.000 1.143 203 D HN 0.428 8.798 8.370 -0.000 0.000 0.458 204 I N 3.697 124.293 120.570 0.044 0.000 2.466 204 I HA 0.381 4.546 4.170 -0.010 0.000 0.289 204 I C -2.829 173.322 176.117 0.056 0.000 1.026 204 I CA -2.528 58.798 61.300 0.044 0.000 1.078 204 I CB 2.691 40.715 38.000 0.041 0.000 1.249 204 I HN 0.033 8.243 8.210 -0.000 0.000 0.429 205 P HA 0.284 4.704 4.420 -0.000 0.000 0.284 205 P C -0.999 176.318 177.300 0.029 0.000 1.253 205 P CA -0.077 63.050 63.100 0.044 0.000 0.800 205 P CB 1.776 33.495 31.700 0.032 0.000 0.961 206 V N -0.562 119.357 119.914 0.008 0.000 3.078 206 V HA 0.883 4.998 4.120 -0.010 0.000 0.311 206 V C -0.132 175.918 176.094 -0.073 0.000 1.138 206 V CA -0.737 61.542 62.300 -0.035 0.000 1.007 206 V CB 1.569 33.345 31.823 -0.078 0.000 1.045 206 V HN 0.755 8.945 8.190 -0.000 0.000 0.432 207 T N -0.876 113.647 114.554 -0.052 0.000 2.883 207 T HA 1.038 5.382 4.350 -0.010 0.000 0.284 207 T C 0.140 174.822 174.700 -0.030 0.000 1.041 207 T CA -0.358 61.714 62.100 -0.046 0.000 1.007 207 T CB 1.596 70.463 68.868 -0.002 0.000 1.220 207 T HN 2.376 10.616 8.240 -0.000 0.000 0.552 208 G N -0.218 108.589 108.800 0.010 0.000 2.324 208 G HA2 0.512 4.466 3.960 -0.010 0.000 0.293 208 G HA3 0.512 4.466 3.960 -0.010 0.000 0.293 208 G C -0.908 174.062 174.900 0.117 0.000 1.297 208 G CA -0.171 44.982 45.100 0.088 0.000 0.853 208 G HN 1.541 9.831 8.290 -0.000 0.000 0.535 209 T N -2.604 112.063 114.554 0.188 0.000 2.912 209 T HA 0.983 5.328 4.350 -0.010 0.000 0.299 209 T C -0.183 174.654 174.700 0.228 0.000 1.052 209 T CA 0.460 62.670 62.100 0.183 0.000 0.996 209 T CB 1.762 70.723 68.868 0.154 0.000 1.070 209 T HN 2.377 10.617 8.240 -0.000 0.000 0.465 210 A N 2.050 124.991 122.820 0.203 0.000 2.564 210 A HA 0.895 5.209 4.320 -0.010 0.000 0.288 210 A C -2.011 175.708 177.584 0.225 0.000 1.164 210 A CA -0.963 51.194 52.037 0.199 0.000 0.712 210 A CB 1.615 20.765 19.000 0.251 0.000 1.303 210 A HN 0.973 9.123 8.150 -0.000 0.000 0.418 211 W N 0.830 122.122 121.300 -0.013 0.000 3.097 211 W HA 0.576 5.228 4.660 -0.014 0.000 0.335 211 W C -2.758 173.752 176.519 -0.015 0.000 1.114 211 W CA -0.755 56.598 57.345 0.013 0.000 1.231 211 W CB 1.770 31.251 29.460 0.035 0.000 1.388 211 W HN 0.720 8.900 8.180 -0.000 0.000 0.485 212 L N 6.230 127.466 121.223 0.021 0.000 2.325 212 L HA 0.499 4.834 4.340 -0.010 0.000 0.281 212 L C -0.858 176.100 176.870 0.146 0.000 1.004 212 L CA 0.101 54.983 54.840 0.069 0.000 0.823 212 L CB 1.246 43.291 42.059 -0.023 0.000 1.236 212 L HN 0.214 8.444 8.230 -0.000 0.000 0.415 213 D N 4.302 124.872 120.400 0.285 0.000 2.163 213 D HA 0.555 5.189 4.640 -0.010 0.000 0.248 213 D C -0.574 175.755 176.300 0.048 0.000 1.035 213 D CA -0.194 54.001 54.000 0.326 0.000 0.872 213 D CB 1.419 42.491 40.800 0.454 0.000 1.183 213 D HN 0.328 8.698 8.370 -0.000 0.000 0.445 214 R N 1.975 122.397 120.500 -0.130 0.000 2.502 214 R HA 0.416 4.751 4.340 -0.010 0.000 0.300 214 R C -0.722 175.429 176.300 -0.247 0.000 0.984 214 R CA -0.545 55.363 56.100 -0.320 0.000 0.882 214 R CB 2.116 32.011 30.300 -0.675 0.000 1.180 214 R HN 0.521 8.791 8.270 -0.000 0.000 0.444 215 E N 3.487 123.559 120.200 -0.212 0.000 2.308 215 E HA 0.441 4.785 4.350 -0.010 0.000 0.275 215 E C -1.544 175.072 176.600 0.026 0.000 0.890 215 E CA -0.714 55.470 56.400 -0.361 0.000 0.754 215 E CB 1.880 31.028 29.700 -0.920 0.000 1.207 215 E HN 0.557 8.917 8.360 -0.000 0.000 0.426 216 W N 2.321 123.408 121.300 -0.355 0.000 3.107 216 W HA 0.757 5.412 4.660 -0.008 0.000 0.331 216 W C -1.167 175.163 176.519 -0.315 0.000 1.204 216 W CA -0.836 56.320 57.345 -0.316 0.000 1.184 216 W CB 1.035 30.207 29.460 -0.480 0.000 1.421 216 W HN 0.514 8.694 8.180 -0.000 0.000 0.544 217 S N -0.179 115.517 115.700 -0.007 0.000 2.611 217 S HA 0.428 4.893 4.470 -0.010 0.000 0.268 217 S C 0.040 174.764 174.600 0.207 0.000 1.156 217 S CA -0.255 57.937 58.200 -0.014 0.000 0.817 217 S CB 1.086 64.172 63.200 -0.189 0.000 1.122 217 S HN 1.035 9.345 8.310 -0.000 0.000 0.466 218 S N -0.505 115.290 115.700 0.159 0.000 2.503 218 S HA 0.337 4.802 4.470 -0.010 0.000 0.217 218 S C 0.164 174.739 174.600 -0.042 0.000 0.999 218 S CA 0.078 58.326 58.200 0.079 0.000 0.914 218 S CB -0.374 62.862 63.200 0.061 0.000 0.782 218 S HN 0.752 9.062 8.310 -0.000 0.000 0.520 219 E N 0.047 120.196 120.200 -0.085 0.000 2.290 219 E HA 0.517 4.861 4.350 -0.010 0.000 0.274 219 E C -1.476 175.071 176.600 -0.089 0.000 0.889 219 E CA -0.706 55.647 56.400 -0.079 0.000 0.760 219 E CB 1.359 31.032 29.700 -0.044 0.000 1.206 219 E HN 0.251 8.611 8.360 -0.000 0.000 0.419 220 Y N 1.511 121.840 120.300 0.048 0.000 2.296 220 Y HA 0.166 4.710 4.550 -0.010 0.000 0.343 220 Y C 0.827 176.719 175.900 -0.012 0.000 1.292 220 Y CA -0.352 57.779 58.100 0.051 0.000 1.490 220 Y CB 0.389 38.915 38.460 0.110 0.000 1.359 220 Y HN 0.355 8.635 8.280 -0.000 0.000 0.599 221 L N 1.405 122.720 121.223 0.154 0.000 2.554 221 L HA 0.029 4.363 4.340 -0.010 0.000 0.293 221 L C 0.792 177.714 176.870 0.086 0.000 1.252 221 L CA 0.529 55.405 54.840 0.060 0.000 0.862 221 L CB -0.273 41.833 42.059 0.078 0.000 1.113 221 L HN 0.876 9.106 8.230 -0.000 0.000 0.510 222 D N 3.879 124.305 120.400 0.043 0.000 2.515 222 D HA 0.063 4.698 4.640 -0.010 0.000 0.232 222 D C -1.563 174.768 176.300 0.051 0.000 1.157 222 D CA -0.725 53.301 54.000 0.044 0.000 0.871 222 D CB -0.065 40.753 40.800 0.030 0.000 1.200 222 D HN 0.542 8.912 8.370 -0.000 0.000 0.466 223 P HA 0.046 4.466 4.420 -0.000 0.000 0.255 223 P C 0.073 177.383 177.300 0.017 0.000 1.248 223 P CA 0.275 63.391 63.100 0.028 0.000 0.807 223 P CB -0.070 31.644 31.700 0.024 0.000 1.150 224 N N 0.161 118.875 118.700 0.022 0.000 2.461 224 N HA 0.101 4.835 4.740 -0.010 0.000 0.188 224 N C 0.566 176.086 175.510 0.017 0.000 1.134 224 N CA -0.210 52.850 53.050 0.017 0.000 0.878 224 N CB -0.073 38.428 38.487 0.023 0.000 0.972 224 N HN 0.096 8.476 8.380 -0.000 0.000 0.456 225 A N 0.585 123.422 122.820 0.029 0.000 2.409 225 A HA 0.542 4.857 4.320 -0.010 0.000 0.267 225 A C 1.235 178.817 177.584 -0.003 0.000 1.127 225 A CA -0.350 51.708 52.037 0.035 0.000 0.795 225 A CB 0.445 19.492 19.000 0.079 0.000 1.061 225 A HN 0.276 8.426 8.150 -0.000 0.000 0.502 226 A N 2.536 125.331 122.820 -0.042 0.000 2.014 226 A HA 0.472 4.786 4.320 -0.010 0.000 0.218 226 A C 1.286 178.793 177.584 -0.128 0.000 1.163 226 A CA 1.689 53.664 52.037 -0.103 0.000 0.652 226 A CB -0.367 18.536 19.000 -0.161 0.000 0.808 226 A HN 2.318 10.468 8.150 -0.000 0.000 0.449 227 G N -2.950 105.803 108.800 -0.078 0.000 2.327 227 G HA2 0.389 4.343 3.960 -0.010 0.000 0.291 227 G HA3 0.389 4.343 3.960 -0.010 0.000 0.291 227 G C -1.369 173.575 174.900 0.072 0.000 1.290 227 G CA -0.274 44.768 45.100 -0.097 0.000 0.857 227 G HN 1.190 9.480 8.290 -0.000 0.000 0.520 228 W N 0.065 121.367 121.300 0.003 0.000 2.975 228 W HA 0.838 5.492 4.660 -0.010 0.000 0.342 228 W C -1.557 175.025 176.519 0.105 0.000 1.168 228 W CA -1.287 56.077 57.345 0.031 0.000 1.141 228 W CB 1.518 30.973 29.460 -0.008 0.000 1.445 228 W HN 0.446 8.626 8.180 -0.000 0.000 0.560 229 D N 1.250 121.872 120.400 0.369 0.000 2.505 229 D HA 0.302 4.936 4.640 -0.010 0.000 0.249 229 D C -1.831 174.819 176.300 0.583 0.000 1.082 229 D CA 0.002 54.193 54.000 0.318 0.000 0.839 229 D CB 1.848 42.568 40.800 -0.133 0.000 1.317 229 D HN 0.658 9.028 8.370 -0.000 0.000 0.497 230 W N 3.465 125.046 121.300 0.468 0.000 3.022 230 W HA 0.595 5.254 4.660 -0.002 0.000 0.335 230 W C -1.594 175.154 176.519 0.382 0.000 1.133 230 W CA -0.745 56.868 57.345 0.447 0.000 1.219 230 W CB 0.951 30.644 29.460 0.390 0.000 1.409 230 W HN 0.377 8.557 8.180 -0.000 0.000 0.507 231 I N 3.079 123.452 120.570 -0.328 0.000 2.730 231 I HA 0.860 5.025 4.170 -0.010 0.000 0.298 231 I C -0.514 174.778 176.117 -1.374 0.000 1.089 231 I CA -0.831 60.176 61.300 -0.489 0.000 1.041 231 I CB 2.194 40.165 38.000 -0.048 0.000 1.235 231 I HN 0.406 8.616 8.210 -0.000 0.000 0.423 232 S N 3.359 118.318 115.700 -1.236 0.000 2.588 232 S HA 0.968 5.433 4.470 -0.010 0.000 0.275 232 S C -0.930 173.102 174.600 -0.947 0.000 1.130 232 S CA -0.453 56.909 58.200 -1.396 0.000 0.855 232 S CB 1.974 63.822 63.200 -2.253 0.000 1.116 232 S HN 1.485 9.795 8.310 -0.000 0.000 0.472 233 A N 1.856 124.045 122.820 -1.051 0.000 2.427 233 A HA 0.708 5.022 4.320 -0.010 0.000 0.298 233 A C -1.218 176.153 177.584 -0.354 0.000 1.036 233 A CA -0.848 50.695 52.037 -0.824 0.000 0.701 233 A CB 1.076 19.085 19.000 -1.652 0.000 1.250 233 A HN 0.721 8.871 8.150 -0.000 0.000 0.412 234 N N 2.383 120.973 118.700 -0.184 0.000 2.469 234 N HA 0.381 5.115 4.740 -0.010 0.000 0.239 234 N C -0.648 174.835 175.510 -0.045 0.000 1.053 234 N CA 0.124 53.030 53.050 -0.241 0.000 0.937 234 N CB 0.771 39.052 38.487 -0.343 0.000 1.163 234 N HN 0.616 8.996 8.380 -0.000 0.000 0.509 235 L N 1.259 122.548 121.223 0.110 0.000 2.399 235 L HA 0.242 4.576 4.340 -0.010 0.000 0.266 235 L C 1.415 178.400 176.870 0.191 0.000 1.114 235 L CA -0.707 54.200 54.840 0.112 0.000 0.804 235 L CB 0.849 42.964 42.059 0.094 0.000 1.146 235 L HN 0.285 8.515 8.230 -0.000 0.000 0.451 236 D N 0.729 121.196 120.400 0.111 0.000 2.178 236 D HA -0.172 4.462 4.640 -0.010 0.000 0.201 236 D C 1.323 177.657 176.300 0.057 0.000 0.980 236 D CA 1.319 55.368 54.000 0.082 0.000 0.842 236 D CB -0.029 40.799 40.800 0.047 0.000 0.948 236 D HN 0.670 9.040 8.370 -0.000 0.000 0.472 237 D N -0.872 119.561 120.400 0.055 0.000 2.363 237 D HA 0.038 4.672 4.640 -0.010 0.000 0.226 237 D C 1.533 177.826 176.300 -0.012 0.000 1.020 237 D CA 1.012 55.026 54.000 0.024 0.000 0.892 237 D CB 0.108 40.929 40.800 0.035 0.000 0.900 237 D HN 0.272 8.642 8.370 -0.000 0.000 0.531 238 G N -0.580 108.200 108.800 -0.034 0.000 2.238 238 G HA2 -0.240 3.715 3.960 -0.010 0.000 0.217 238 G HA3 -0.240 3.715 3.960 -0.010 0.000 0.217 238 G C 0.442 175.309 174.900 -0.054 0.000 0.996 238 G CA 0.112 45.086 45.100 -0.210 0.000 0.632 238 G HN 0.415 8.705 8.290 -0.000 0.000 0.503 239 S N 0.512 116.269 115.700 0.094 0.000 2.576 239 S HA 0.580 5.044 4.470 -0.010 0.000 0.272 239 S C 0.464 175.217 174.600 0.255 0.000 1.352 239 S CA 0.643 58.932 58.200 0.149 0.000 1.021 239 S CB 1.490 64.770 63.200 0.133 0.000 0.887 239 S HN 1.751 10.061 8.310 -0.000 0.000 0.542 240 A N 1.259 124.196 122.820 0.196 0.000 2.398 240 A HA 0.759 5.073 4.320 -0.010 0.000 0.301 240 A C -0.994 176.663 177.584 0.122 0.000 1.041 240 A CA -0.562 51.633 52.037 0.263 0.000 0.711 240 A CB 1.018 20.194 19.000 0.294 0.000 1.240 240 A HN 0.630 8.780 8.150 -0.000 0.000 0.420 244 F N -0.948 119.172 119.950 0.283 0.000 2.713 244 F HA 0.815 5.340 4.527 -0.003 0.000 0.311 244 F C -0.981 175.015 175.800 0.326 0.000 1.141 244 F CA -0.585 57.628 58.000 0.355 0.000 0.939 244 F CB 1.206 40.419 39.000 0.355 0.000 1.325 244 F HN 1.002 9.302 8.300 -0.000 0.000 0.453 245 Q N 2.004 122.064 119.800 0.433 0.000 2.421 245 Q HA 0.694 5.029 4.340 -0.010 0.000 0.280 245 Q C -1.983 174.247 176.000 0.385 0.000 1.085 245 Q CA -1.133 54.842 55.803 0.286 0.000 0.807 245 Q CB 2.983 31.684 28.738 -0.062 0.000 1.405 245 Q HN 0.686 8.956 8.270 -0.000 0.000 0.419 246 I N 2.169 122.967 120.570 0.380 0.000 2.321 246 I HA 0.396 4.560 4.170 -0.010 0.000 0.291 246 I C -0.068 176.144 176.117 0.159 0.000 0.998 246 I CA -0.554 60.922 61.300 0.294 0.000 1.227 246 I CB 0.931 39.121 38.000 0.316 0.000 1.368 246 I HN 0.652 8.862 8.210 -0.000 0.000 0.466 247 R N 3.998 124.544 120.500 0.077 0.000 2.254 247 R HA 0.513 4.847 4.340 -0.010 0.000 0.318 247 R C 0.527 176.826 176.300 -0.002 0.000 1.031 247 R CA -0.514 55.584 56.100 -0.004 0.000 0.905 247 R CB 1.380 31.619 30.300 -0.103 0.000 1.050 247 R HN 0.799 9.069 8.270 -0.000 0.000 0.456 248 G N 1.393 110.196 108.800 0.005 0.000 2.539 248 G HA2 0.025 3.980 3.960 -0.010 0.000 0.258 248 G HA3 0.025 3.980 3.960 -0.010 0.000 0.258 248 G C 0.378 175.257 174.900 -0.035 0.000 1.202 248 G CA -0.571 44.531 45.100 0.002 0.000 0.851 248 G HN 0.589 8.879 8.290 -0.000 0.000 0.556 249 K N -0.102 120.278 120.400 -0.033 0.000 2.280 249 K HA -0.083 4.231 4.320 -0.010 0.000 0.202 249 K C 1.336 177.910 176.600 -0.044 0.000 1.047 249 K CA 1.381 57.637 56.287 -0.051 0.000 0.942 249 K CB 0.205 32.681 32.500 -0.040 0.000 0.739 249 K HN 0.650 8.900 8.250 -0.000 0.000 0.457 250 D N -0.062 120.322 120.400 -0.026 0.000 2.325 250 D HA -0.057 4.577 4.640 -0.010 0.000 0.225 250 D C -0.353 175.934 176.300 -0.021 0.000 1.096 250 D CA 0.166 54.154 54.000 -0.020 0.000 0.844 250 D CB -0.001 40.795 40.800 -0.006 0.000 0.925 250 D HN -0.009 8.361 8.370 -0.000 0.000 0.513 251 D N -0.188 120.192 120.400 -0.032 0.000 3.076 251 D HA -0.170 4.464 4.640 -0.010 0.000 0.218 251 D C -0.159 176.133 176.300 -0.014 0.000 1.156 251 D CA 1.109 55.088 54.000 -0.034 0.000 0.921 251 D CB -2.022 38.758 40.800 -0.034 0.000 1.113 251 D HN 0.529 8.899 8.370 -0.000 0.000 0.418 252 S N -0.251 115.449 115.700 -0.000 0.000 2.614 252 S HA 0.276 4.741 4.470 -0.010 0.000 0.265 252 S C 0.328 174.944 174.600 0.027 0.000 1.303 252 S CA -0.580 57.630 58.200 0.017 0.000 1.000 252 S CB 2.441 65.660 63.200 0.030 0.000 0.935 252 S HN 0.249 8.559 8.310 -0.000 0.000 0.551 253 K N 1.451 121.874 120.400 0.039 0.000 2.257 253 K HA 0.343 4.657 4.320 -0.010 0.000 0.270 253 K C 0.674 177.337 176.600 0.105 0.000 1.098 253 K CA -0.417 55.904 56.287 0.057 0.000 0.943 253 K CB -0.156 32.365 32.500 0.035 0.000 1.316 253 K HN 0.735 8.985 8.250 -0.000 0.000 0.447 254 I N 2.945 123.603 120.570 0.148 0.000 2.226 254 I HA -0.153 4.011 4.170 -0.010 0.000 0.245 254 I C 0.801 177.164 176.117 0.410 0.000 1.100 254 I CA 1.062 62.496 61.300 0.224 0.000 1.374 254 I CB 0.086 38.203 38.000 0.195 0.000 1.057 254 I HN 0.637 8.847 8.210 -0.000 0.000 0.413 255 W N -0.591 120.777 121.300 0.112 0.000 3.066 255 W HA 0.556 5.214 4.660 -0.004 0.000 0.330 255 W C -1.717 174.878 176.519 0.126 0.000 1.253 255 W CA -0.658 56.766 57.345 0.131 0.000 1.187 255 W CB 1.677 31.247 29.460 0.184 0.000 1.434 255 W HN -0.232 7.948 8.180 -0.000 0.000 0.572 256 A N 2.356 125.015 122.820 -0.268 0.000 2.606 256 A HA 0.768 5.083 4.320 -0.010 0.000 0.293 256 A C -2.665 174.671 177.584 -0.414 0.000 1.082 256 A CA -0.508 51.388 52.037 -0.235 0.000 0.685 256 A CB 2.343 21.283 19.000 -0.100 0.000 1.284 256 A HN 0.816 8.966 8.150 -0.000 0.000 0.408 257 Y N -0.140 119.739 120.300 -0.701 0.000 2.558 257 Y HA 0.694 5.245 4.550 0.001 0.000 0.333 257 Y C -0.670 175.006 175.900 -0.373 0.000 1.125 257 Y CA 0.139 57.903 58.100 -0.560 0.000 1.039 257 Y CB 1.614 39.578 38.460 -0.826 0.000 1.331 257 Y HN 1.750 10.030 8.280 -0.000 0.000 0.456 258 A N 2.706 124.953 122.820 -0.955 0.000 2.612 258 A HA 0.970 5.284 4.320 -0.010 0.000 0.293 258 A C -1.983 175.199 177.584 -0.670 0.000 1.075 258 A CA -0.314 51.268 52.037 -0.759 0.000 0.680 258 A CB 1.228 19.894 19.000 -0.558 0.000 1.279 258 A HN 1.740 9.890 8.150 -0.000 0.000 0.411 259 A N 0.365 122.983 122.820 -0.337 0.000 2.437 259 A HA 0.666 4.980 4.320 -0.010 0.000 0.293 259 A C -1.759 175.838 177.584 0.021 0.000 1.038 259 A CA -0.305 51.683 52.037 -0.083 0.000 0.708 259 A CB 1.194 20.190 19.000 -0.008 0.000 1.251 259 A HN 1.877 10.027 8.150 -0.000 0.000 0.409 260 L N 2.130 123.434 121.223 0.135 0.000 2.319 260 L HA 0.648 4.982 4.340 -0.010 0.000 0.281 260 L C 0.085 177.013 176.870 0.097 0.000 1.005 260 L CA -0.280 54.632 54.840 0.120 0.000 0.828 260 L CB 1.321 43.529 42.059 0.247 0.000 1.227 260 L HN 0.733 8.963 8.230 -0.000 0.000 0.415 261 R N 3.315 123.866 120.500 0.084 0.000 2.198 261 R HA 0.346 4.680 4.340 -0.010 0.000 0.339 261 R C -0.646 175.712 176.300 0.097 0.000 1.020 261 R CA -0.564 55.577 56.100 0.068 0.000 0.864 261 R CB 0.418 30.751 30.300 0.055 0.000 1.105 261 R HN 0.813 9.083 8.270 -0.000 0.000 0.463 262 D N 3.528 123.995 120.400 0.112 0.000 2.433 262 D HA 0.096 4.730 4.640 -0.010 0.000 0.255 262 D C 0.813 177.160 176.300 0.078 0.000 1.226 262 D CA -0.296 53.771 54.000 0.112 0.000 1.015 262 D CB 0.589 41.465 40.800 0.127 0.000 1.091 262 D HN 0.388 8.758 8.370 -0.000 0.000 0.527 263 A N -0.422 122.434 122.820 0.060 0.000 2.121 263 A HA -0.067 4.247 4.320 -0.010 0.000 0.218 263 A C 1.938 179.539 177.584 0.028 0.000 1.154 263 A CA 1.526 53.581 52.037 0.030 0.000 0.679 263 A CB -1.047 17.965 19.000 0.020 0.000 0.795 263 A HN 0.588 8.738 8.150 -0.000 0.000 0.458 264 S N -1.773 113.955 115.700 0.046 0.000 2.561 264 S HA 0.327 4.791 4.470 -0.010 0.000 0.225 264 S C 1.467 176.102 174.600 0.059 0.000 0.977 264 S CA 1.122 59.350 58.200 0.046 0.000 0.926 264 S CB -0.405 62.823 63.200 0.047 0.000 0.769 264 S HN 1.866 10.176 8.310 -0.000 0.000 0.533 265 G N 0.483 109.321 108.800 0.064 0.000 2.157 265 G HA2 -0.288 3.666 3.960 -0.010 0.000 0.248 265 G HA3 -0.288 3.666 3.960 -0.010 0.000 0.248 265 G C -0.056 174.887 174.900 0.071 0.000 0.979 265 G CA 0.294 45.426 45.100 0.053 0.000 0.650 265 G HN 0.896 9.186 8.290 -0.000 0.000 0.529 266 H N 1.127 120.208 119.070 0.018 0.000 2.646 266 H HA 0.599 5.148 4.556 -0.011 0.000 0.325 266 H C 0.210 175.552 175.328 0.023 0.000 1.075 266 H CA 0.892 56.950 56.048 0.015 0.000 1.421 266 H CB 0.774 30.541 29.762 0.007 0.000 1.461 266 H HN 0.047 8.327 8.280 -0.000 0.000 0.525 267 T N 6.573 120.791 114.554 -0.559 0.000 2.767 267 T HA 0.234 4.578 4.350 -0.010 0.000 0.288 267 T C -0.046 174.359 174.700 -0.491 0.000 0.963 267 T CA -0.672 61.221 62.100 -0.346 0.000 1.019 267 T CB 0.329 69.095 68.868 -0.171 0.000 0.923 267 T HN 0.577 8.817 8.240 -0.000 0.000 0.468 268 R N 3.870 124.262 120.500 -0.179 0.000 2.346 268 R HA 0.582 4.916 4.340 -0.010 0.000 0.311 268 R C -1.042 175.106 176.300 -0.254 0.000 0.983 268 R CA -0.628 55.366 56.100 -0.177 0.000 0.880 268 R CB 0.476 30.700 30.300 -0.127 0.000 1.100 268 R HN 0.548 8.818 8.270 -0.000 0.000 0.453 269 L N 4.708 125.742 121.223 -0.314 0.000 2.325 269 L HA 0.534 4.868 4.340 -0.010 0.000 0.278 269 L C -0.887 175.712 176.870 -0.452 0.000 1.023 269 L CA -0.795 53.883 54.840 -0.270 0.000 0.811 269 L CB 1.292 43.297 42.059 -0.090 0.000 1.249 269 L HN 0.536 8.766 8.230 -0.000 0.000 0.431 270 F N -0.327 119.476 119.950 -0.245 0.000 2.495 270 F HA 0.458 4.962 4.527 -0.039 0.000 0.327 270 F C 0.803 176.484 175.800 -0.198 0.000 1.103 270 F CA -0.769 57.111 58.000 -0.200 0.000 0.949 270 F CB 2.024 40.891 39.000 -0.222 0.000 1.142 270 F HN 0.441 8.741 8.300 -0.000 0.000 0.457 271 T N -0.311 114.252 114.554 0.014 0.000 2.816 271 T HA 0.251 4.595 4.350 -0.010 0.000 0.282 271 T C -2.074 172.518 174.700 -0.179 0.000 0.993 271 T CA -1.753 60.304 62.100 -0.073 0.000 0.994 271 T CB 1.223 70.052 68.868 -0.065 0.000 1.025 271 T HN 0.261 8.501 8.240 -0.000 0.000 0.529 272 P HA -0.039 4.381 4.420 -0.000 0.000 0.218 272 P C 0.676 177.838 177.300 -0.230 0.000 1.148 272 P CA 1.006 63.831 63.100 -0.458 0.000 0.822 272 P CB -0.114 31.080 31.700 -0.844 0.000 0.784 273 D N -1.421 118.878 120.400 -0.169 0.000 2.371 273 D HA -0.080 4.554 4.640 -0.010 0.000 0.221 273 D C 1.524 177.805 176.300 -0.032 0.000 0.986 273 D CA 0.747 54.698 54.000 -0.082 0.000 0.899 273 D CB -0.279 40.485 40.800 -0.060 0.000 0.902 273 D HN 0.329 8.699 8.370 -0.000 0.000 0.530 274 Q N -0.464 119.326 119.800 -0.018 0.000 2.282 274 Q HA 0.185 4.519 4.340 -0.010 0.000 0.206 274 Q C -0.545 175.448 176.000 -0.012 0.000 0.878 274 Q CA 0.061 55.891 55.803 0.045 0.000 0.944 274 Q CB 1.738 30.583 28.738 0.179 0.000 1.100 274 Q HN 0.053 8.323 8.270 -0.000 0.000 0.509 275 V N 1.308 121.186 119.914 -0.061 0.000 2.531 275 V HA 0.517 4.631 4.120 -0.010 0.000 0.301 275 V C -0.392 175.691 176.094 -0.019 0.000 1.034 275 V CA -0.621 61.614 62.300 -0.109 0.000 0.865 275 V CB 1.674 33.409 31.823 -0.146 0.000 0.995 275 V HN 0.224 8.414 8.190 -0.000 0.000 0.424 276 S N 3.762 119.444 115.700 -0.029 0.000 2.570 276 S HA 0.848 5.312 4.470 -0.010 0.000 0.270 276 S C -1.403 173.098 174.600 -0.166 0.000 1.149 276 S CA -0.705 57.510 58.200 0.025 0.000 0.837 276 S CB 1.907 65.134 63.200 0.045 0.000 1.124 276 S HN 0.257 8.567 8.310 -0.000 0.000 0.465 277 F N 1.312 121.044 119.950 -0.363 0.000 2.495 277 F HA 0.552 5.078 4.527 -0.002 0.000 0.327 277 F C 0.421 175.876 175.800 -0.575 0.000 1.103 277 F CA -0.390 57.435 58.000 -0.291 0.000 0.949 277 F CB 1.820 40.755 39.000 -0.108 0.000 1.142 277 F HN 0.646 8.946 8.300 -0.000 0.000 0.457 278 H N 2.202 121.366 119.070 0.156 0.000 2.852 278 H HA 0.221 4.770 4.556 -0.011 0.000 0.274 278 H C -2.710 172.658 175.328 0.068 0.000 1.321 278 H CA -1.856 54.242 56.048 0.084 0.000 1.582 278 H CB 1.158 30.937 29.762 0.029 0.000 1.699 278 H HN 0.228 8.508 8.280 -0.000 0.000 0.546 279 P HA -0.015 4.405 4.420 -0.000 0.000 0.263 279 P C 0.768 178.112 177.300 0.072 0.000 1.175 279 P CA 0.518 63.672 63.100 0.089 0.000 0.761 279 P CB 1.209 32.949 31.700 0.067 0.000 0.794 280 I N 1.606 122.202 120.570 0.044 0.000 3.445 280 I HA 0.176 4.340 4.170 -0.010 0.000 0.288 280 I C 1.144 177.274 176.117 0.022 0.000 1.198 280 I CA 0.438 61.756 61.300 0.029 0.000 1.417 280 I CB 0.345 38.355 38.000 0.016 0.000 1.205 280 I HN 0.267 8.477 8.210 -0.000 0.000 0.448 281 R N 0.642 121.152 120.500 0.017 0.000 2.561 281 R HA 0.305 4.639 4.340 -0.010 0.000 0.266 281 R C -1.208 175.108 176.300 0.026 0.000 1.091 281 R CA -0.365 55.749 56.100 0.024 0.000 0.927 281 R CB 1.545 31.862 30.300 0.028 0.000 1.240 281 R HN 0.042 8.312 8.270 -0.000 0.000 0.449 282 T N -0.115 114.466 114.554 0.045 0.000 2.895 282 T HA 0.612 4.957 4.350 -0.010 0.000 0.283 282 T C -1.047 173.744 174.700 0.151 0.000 1.014 282 T CA -0.655 61.480 62.100 0.059 0.000 1.037 282 T CB 1.409 70.286 68.868 0.015 0.000 1.006 282 T HN 0.587 8.827 8.240 -0.000 0.000 0.468 283 W N 2.743 124.030 121.300 -0.021 0.000 2.739 283 W HA 0.621 5.275 4.660 -0.010 0.000 0.331 283 W C -0.709 175.854 176.519 0.073 0.000 1.049 283 W CA -1.156 56.209 57.345 0.034 0.000 1.234 283 W CB 1.489 30.986 29.460 0.062 0.000 1.404 283 W HN 0.896 9.076 8.180 -0.000 0.000 0.477 284 R N 4.642 124.708 120.500 -0.724 0.000 2.255 284 R HA 0.418 4.752 4.340 -0.010 0.000 0.326 284 R C -0.379 175.141 176.300 -1.300 0.000 0.986 284 R CA -0.391 55.244 56.100 -0.775 0.000 0.847 284 R CB 1.510 31.564 30.300 -0.409 0.000 1.111 284 R HN 0.485 8.755 8.270 -0.000 0.000 0.452 285 S N 3.002 118.064 115.700 -1.063 0.000 2.505 285 S HA 0.177 4.641 4.470 -0.010 0.000 0.276 285 S C 1.134 175.546 174.600 -0.313 0.000 1.274 285 S CA -0.028 57.728 58.200 -0.740 0.000 1.053 285 S CB 1.237 64.345 63.200 -0.154 0.000 0.919 285 S HN 0.744 9.054 8.310 -0.000 0.000 0.490 286 A N 5.699 128.422 122.820 -0.161 0.000 2.119 286 A HA 0.061 4.376 4.320 -0.010 0.000 0.217 286 A C 2.204 179.780 177.584 -0.013 0.000 1.153 286 A CA 0.683 52.681 52.037 -0.064 0.000 0.692 286 A CB -0.176 18.820 19.000 -0.006 0.000 0.799 286 A HN 0.906 9.056 8.150 -0.000 0.000 0.458 287 R N -0.803 119.713 120.500 0.027 0.000 2.062 287 R HA -0.050 4.284 4.340 -0.010 0.000 0.226 287 R C 2.074 178.388 176.300 0.023 0.000 1.125 287 R CA 1.793 57.921 56.100 0.047 0.000 0.966 287 R CB -0.172 30.183 30.300 0.091 0.000 0.861 287 R HN 0.651 8.921 8.270 -0.000 0.000 0.433 288 T N -2.831 111.734 114.554 0.017 0.000 3.010 288 T HA 0.078 4.422 4.350 -0.010 0.000 0.257 288 T C 0.358 175.033 174.700 -0.043 0.000 1.020 288 T CA -0.317 61.785 62.100 0.004 0.000 0.938 288 T CB 0.699 69.594 68.868 0.046 0.000 1.049 288 T HN 0.020 8.260 8.240 -0.000 0.000 0.522 289 Q N -0.272 119.480 119.800 -0.080 0.000 2.406 289 Q HA -0.156 4.179 4.340 -0.010 0.000 0.236 289 Q C 0.440 176.345 176.000 -0.159 0.000 0.799 289 Q CA 1.048 56.778 55.803 -0.121 0.000 1.286 289 Q CB -2.673 26.011 28.738 -0.089 0.000 1.615 289 Q HN 0.939 9.209 8.270 -0.000 0.000 0.621 290 A N 0.177 122.897 122.820 -0.166 0.000 2.351 290 A HA 0.558 4.872 4.320 -0.010 0.000 0.257 290 A C 0.300 177.627 177.584 -0.429 0.000 1.087 290 A CA -0.101 51.761 52.037 -0.293 0.000 0.798 290 A CB 0.980 19.774 19.000 -0.343 0.000 1.033 290 A HN 0.119 8.269 8.150 -0.000 0.000 0.488 291 V N 2.564 122.199 119.914 -0.464 0.000 2.378 291 V HA 0.374 4.489 4.120 -0.010 0.000 0.288 291 V C -1.258 174.553 176.094 -0.471 0.000 1.016 291 V CA -0.257 61.833 62.300 -0.349 0.000 0.840 291 V CB 0.339 32.053 31.823 -0.182 0.000 0.994 291 V HN 0.736 8.926 8.190 -0.000 0.000 0.431 292 Y N 5.753 125.923 120.300 -0.217 0.000 2.409 292 Y HA 0.502 5.046 4.550 -0.010 0.000 0.339 292 Y C -2.037 173.656 175.900 -0.344 0.000 1.033 292 Y CA -2.930 54.880 58.100 -0.484 0.000 1.094 292 Y CB 2.194 40.304 38.460 -0.584 0.000 1.210 292 Y HN 0.401 8.681 8.280 -0.000 0.000 0.456 293 P HA 0.005 4.425 4.420 -0.000 0.000 0.244 293 P C 0.808 177.938 177.300 -0.283 0.000 1.769 293 P CA 0.072 63.082 63.100 -0.150 0.000 1.102 293 P CB 0.097 31.764 31.700 -0.056 0.000 1.937 294 V N 0.175 119.895 119.914 -0.324 0.000 2.759 294 V HA 0.089 4.204 4.120 -0.010 0.000 0.256 294 V C 0.895 176.836 176.094 -0.255 0.000 1.080 294 V CA 1.192 63.187 62.300 -0.508 0.000 1.101 294 V CB -1.119 30.503 31.823 -0.337 0.000 0.698 294 V HN 0.369 8.559 8.190 -0.000 0.000 0.477 295 A N -0.778 121.965 122.820 -0.128 0.000 2.343 295 A HA 0.791 5.106 4.320 -0.010 0.000 0.316 295 A C -0.279 177.284 177.584 -0.034 0.000 1.104 295 A CA 0.153 52.148 52.037 -0.070 0.000 0.768 295 A CB 1.813 20.793 19.000 -0.034 0.000 1.213 295 A HN 0.400 8.550 8.150 -0.000 0.000 0.456 296 T N 0.740 115.284 114.554 -0.017 0.000 2.802 296 T HA 0.572 4.917 4.350 -0.010 0.000 0.311 296 T C -1.262 173.457 174.700 0.032 0.000 1.405 296 T CA -0.554 61.566 62.100 0.034 0.000 1.016 296 T CB 1.293 70.213 68.868 0.088 0.000 1.352 296 T HN 0.742 8.982 8.240 -0.000 0.000 0.498 297 R N 1.913 122.452 120.500 0.065 0.000 2.387 297 R HA 0.750 5.084 4.340 -0.010 0.000 0.314 297 R C -1.449 174.874 176.300 0.037 0.000 0.958 297 R CA -0.558 55.578 56.100 0.059 0.000 0.846 297 R CB 1.488 31.823 30.300 0.059 0.000 1.147 297 R HN 0.424 8.694 8.270 -0.000 0.000 0.447 298 V N 5.696 125.598 119.914 -0.020 0.000 2.487 298 V HA 0.373 4.487 4.120 -0.010 0.000 0.298 298 V C -0.769 175.312 176.094 -0.020 0.000 1.028 298 V CA -0.865 61.301 62.300 -0.223 0.000 0.860 298 V CB 1.761 33.294 31.823 -0.484 0.000 0.991 298 V HN 0.571 8.761 8.190 -0.000 0.000 0.427 299 L N 4.905 126.094 121.223 -0.057 0.000 2.272 299 L HA 0.622 4.956 4.340 -0.010 0.000 0.289 299 L C 0.475 177.260 176.870 -0.141 0.000 1.032 299 L CA 0.294 55.106 54.840 -0.047 0.000 0.810 299 L CB 1.939 44.007 42.059 0.015 0.000 1.205 299 L HN 0.857 9.087 8.230 -0.000 0.000 0.422 300 T N 1.142 115.581 114.554 -0.191 0.000 2.912 300 T HA 0.692 5.036 4.350 -0.010 0.000 0.326 300 T C 0.620 175.166 174.700 -0.257 0.000 1.080 300 T CA -0.136 61.620 62.100 -0.574 0.000 1.000 300 T CB 1.027 69.236 68.868 -1.099 0.000 1.008 300 T HN 0.994 9.234 8.240 -0.000 0.000 0.473 301 G N 3.815 112.646 108.800 0.051 0.000 2.561 301 G HA2 -0.283 3.671 3.960 -0.010 0.000 0.289 301 G HA3 -0.283 3.671 3.960 -0.010 0.000 0.289 301 G C 0.550 175.484 174.900 0.057 0.000 1.169 301 G CA 0.239 45.462 45.100 0.204 0.000 0.980 301 G HN 0.649 8.939 8.290 -0.000 0.000 0.550 302 E N 1.488 121.716 120.200 0.047 0.000 2.465 302 E HA 0.189 4.534 4.350 -0.010 0.000 0.191 302 E C 0.642 177.185 176.600 -0.096 0.000 1.053 302 E CA 0.639 57.022 56.400 -0.028 0.000 0.869 302 E CB 0.275 29.962 29.700 -0.023 0.000 0.977 302 E HN 0.411 8.771 8.360 -0.000 0.000 0.483 303 T N 1.296 115.774 114.554 -0.126 0.000 2.799 303 T HA 0.262 4.606 4.350 -0.010 0.000 0.286 303 T C -0.093 174.360 174.700 -0.412 0.000 0.973 303 T CA -0.406 61.506 62.100 -0.313 0.000 1.035 303 T CB 1.816 70.462 68.868 -0.370 0.000 0.932 303 T HN -0.019 8.221 8.240 -0.000 0.000 0.469 304 E N 2.546 122.463 120.200 -0.473 0.000 2.113 304 E HA 0.325 4.669 4.350 -0.010 0.000 0.273 304 E C -1.341 174.997 176.600 -0.436 0.000 0.924 304 E CA -0.812 55.380 56.400 -0.346 0.000 0.764 304 E CB 0.823 30.395 29.700 -0.215 0.000 1.104 304 E HN 0.568 8.928 8.360 -0.000 0.000 0.406 305 W N 3.141 124.392 121.300 -0.083 0.000 2.478 305 W HA 0.325 4.983 4.660 -0.003 0.000 0.318 305 W C -0.017 176.493 176.519 -0.015 0.000 1.062 305 W CA -0.712 56.620 57.345 -0.020 0.000 1.210 305 W CB 1.261 30.720 29.460 -0.002 0.000 1.325 305 W HN 0.428 8.608 8.180 -0.000 0.000 0.496 306 Q N 2.669 122.594 119.800 0.209 0.000 2.316 306 Q HA 0.601 4.935 4.340 -0.010 0.000 0.264 306 Q C -1.386 174.630 176.000 0.025 0.000 0.987 306 Q CA -0.771 55.084 55.803 0.086 0.000 0.852 306 Q CB 1.207 29.964 28.738 0.031 0.000 1.287 306 Q HN 0.537 8.807 8.270 -0.000 0.000 0.448 307 I N 3.063 123.587 120.570 -0.077 0.000 2.355 307 I HA 0.300 4.464 4.170 -0.010 0.000 0.288 307 I C -0.712 175.306 176.117 -0.164 0.000 0.999 307 I CA 0.025 61.167 61.300 -0.263 0.000 1.163 307 I CB 2.112 39.953 38.000 -0.264 0.000 1.316 307 I HN 0.550 8.760 8.210 -0.000 0.000 0.454 308 T N 7.962 122.418 114.554 -0.163 0.000 2.792 308 T HA 0.461 4.805 4.350 -0.010 0.000 0.280 308 T C -2.632 172.042 174.700 -0.043 0.000 0.990 308 T CA -1.403 60.653 62.100 -0.074 0.000 0.960 308 T CB 1.604 70.450 68.868 -0.037 0.000 0.939 308 T HN 0.255 8.495 8.240 -0.000 0.000 0.439 309 P HA 0.250 4.670 4.420 -0.000 0.000 0.279 309 P C -0.040 177.272 177.300 0.020 0.000 1.239 309 P CA -0.746 62.388 63.100 0.057 0.000 0.789 309 P CB 0.834 32.614 31.700 0.134 0.000 0.933 313 D N 2.072 121.911 120.400 -0.935 0.000 2.483 313 D HA 0.144 4.779 4.640 -0.010 0.000 0.220 313 D C -0.232 175.702 176.300 -0.610 0.000 1.173 313 D CA 0.376 53.819 54.000 -0.928 0.000 0.964 313 D CB 0.113 40.711 40.800 -0.337 0.000 1.046 313 D HN 0.150 8.520 8.370 -0.000 0.000 0.517 314 Q N 2.079 121.354 119.800 -0.876 0.000 2.211 314 Q HA 0.122 4.456 4.340 -0.010 0.000 0.301 314 Q C -0.168 175.241 176.000 -0.985 0.000 0.884 314 Q CA -0.304 54.874 55.803 -1.040 0.000 1.115 314 Q CB 1.036 28.874 28.738 -1.501 0.000 1.217 314 Q HN 0.478 8.748 8.270 -0.000 0.000 0.451 315 E N 1.527 121.428 120.200 -0.498 0.000 2.289 315 E HA 0.296 4.641 4.350 -0.010 0.000 0.278 315 E C -1.258 175.212 176.600 -0.218 0.000 1.032 315 E CA -0.250 56.022 56.400 -0.214 0.000 0.854 315 E CB 0.843 30.628 29.700 0.141 0.000 1.046 315 E HN 0.226 8.586 8.360 -0.000 0.000 0.409 316 L N 5.100 126.195 121.223 -0.213 0.000 2.377 316 L HA 0.286 4.621 4.340 -0.010 0.000 0.270 316 L C -1.163 175.556 176.870 -0.252 0.000 0.991 316 L CA -0.680 53.938 54.840 -0.372 0.000 0.851 316 L CB 1.323 43.209 42.059 -0.288 0.000 1.218 316 L HN 0.538 8.768 8.230 -0.000 0.000 0.420 317 D N 2.358 122.601 120.400 -0.263 0.000 2.411 317 D HA 0.147 4.781 4.640 -0.010 0.000 0.225 317 D C 0.608 176.900 176.300 -0.014 0.000 1.156 317 D CA -0.075 53.869 54.000 -0.094 0.000 0.874 317 D CB 1.285 42.081 40.800 -0.007 0.000 1.034 317 D HN 0.484 8.854 8.370 -0.000 0.000 0.502 318 S N 2.942 118.635 115.700 -0.011 0.000 2.601 318 S HA 0.176 4.640 4.470 -0.010 0.000 0.244 318 S C 1.399 176.039 174.600 0.067 0.000 1.001 318 S CA -0.558 57.691 58.200 0.082 0.000 0.984 318 S CB 0.167 63.447 63.200 0.132 0.000 0.842 318 S HN 0.370 8.680 8.310 -0.000 0.000 0.474 319 R N 1.101 121.612 120.500 0.019 0.000 2.127 319 R HA 0.055 4.390 4.340 -0.010 0.000 0.238 319 R C 2.061 178.382 176.300 0.035 0.000 1.134 319 R CA 1.416 57.522 56.100 0.011 0.000 0.975 319 R CB -0.423 29.869 30.300 -0.014 0.000 0.865 319 R HN 0.575 8.845 8.270 -0.000 0.000 0.447 320 A N -0.041 122.807 122.820 0.047 0.000 2.238 320 A HA 0.068 4.383 4.320 -0.010 0.000 0.208 320 A C 0.825 178.439 177.584 0.050 0.000 1.177 320 A CA 0.448 52.511 52.037 0.044 0.000 0.804 320 A CB 0.340 19.365 19.000 0.042 0.000 0.823 320 A HN 0.090 8.240 8.150 -0.000 0.000 0.482 321 S N -0.644 115.098 115.700 0.071 0.000 2.661 321 S HA 0.488 4.952 4.470 -0.010 0.000 0.245 321 S C 0.753 175.408 174.600 0.092 0.000 1.117 321 S CA 0.335 58.580 58.200 0.075 0.000 1.091 321 S CB 0.207 63.463 63.200 0.093 0.000 0.887 321 S HN 1.567 9.877 8.310 -0.000 0.000 0.491 322 A N 0.129 122.995 122.820 0.076 0.000 2.887 322 A HA -0.130 4.184 4.320 -0.010 0.000 0.257 322 A C 0.993 178.653 177.584 0.127 0.000 1.372 322 A CA 1.024 53.111 52.037 0.082 0.000 0.879 322 A CB -2.015 17.029 19.000 0.073 0.000 1.082 322 A HN 0.748 8.898 8.150 -0.000 0.000 0.703 323 G N -2.030 106.851 108.800 0.134 0.000 3.075 323 G HA2 0.958 4.912 3.960 -0.010 0.000 0.156 323 G HA3 0.958 4.912 3.960 -0.010 0.000 0.156 323 G C 0.220 175.142 174.900 0.038 0.000 1.403 323 G CA 0.692 45.903 45.100 0.186 0.000 1.033 323 G HN 2.115 10.405 8.290 -0.000 0.000 0.589 324 A N -2.498 120.246 122.820 -0.126 0.000 2.515 324 A HA 0.619 4.934 4.320 -0.010 0.000 0.299 324 A C -1.639 175.579 177.584 -0.609 0.000 1.179 324 A CA -0.340 51.458 52.037 -0.399 0.000 0.656 324 A CB 0.866 19.543 19.000 -0.538 0.000 1.306 324 A HN 1.083 9.233 8.150 -0.000 0.000 0.459 325 V N 1.344 120.942 119.914 -0.527 0.000 2.348 325 V HA 0.484 4.598 4.120 -0.010 0.000 0.270 325 V C -1.303 174.553 176.094 -0.398 0.000 1.037 325 V CA -0.056 62.048 62.300 -0.327 0.000 0.872 325 V CB -0.249 31.525 31.823 -0.083 0.000 1.002 325 V HN 0.603 8.793 8.190 -0.000 0.000 0.464 326 Y N 2.388 122.675 120.300 -0.022 0.000 2.468 326 Y HA 0.479 5.024 4.550 -0.010 0.000 0.342 326 Y C -0.386 175.518 175.900 0.007 0.000 1.021 326 Y CA -1.264 56.828 58.100 -0.014 0.000 1.079 326 Y CB 1.616 40.013 38.460 -0.105 0.000 1.226 326 Y HN 0.696 8.976 8.280 -0.000 0.000 0.460 327 W N 4.176 125.464 121.300 -0.020 0.000 2.316 327 W HA 0.432 5.085 4.660 -0.010 0.000 0.308 327 W C -0.697 175.809 176.519 -0.022 0.000 1.106 327 W CA -0.397 56.814 57.345 -0.224 0.000 1.262 327 W CB 0.847 29.978 29.460 -0.548 0.000 1.233 327 W HN 0.365 8.545 8.180 -0.000 0.000 0.447 328 E N 4.998 125.077 120.200 -0.202 0.000 2.346 328 E HA 0.331 4.675 4.350 -0.010 0.000 0.239 328 E C -0.218 176.201 176.600 -0.303 0.000 0.943 328 E CA -0.347 56.066 56.400 0.022 0.000 0.751 328 E CB 1.157 30.934 29.700 0.127 0.000 1.241 328 E HN 0.600 8.960 8.360 -0.000 0.000 0.423 329 G N 0.758 109.242 108.800 -0.526 0.000 2.530 329 G HA2 0.548 4.503 3.960 -0.010 0.000 0.316 329 G HA3 0.548 4.503 3.960 -0.010 0.000 0.316 329 G C -0.401 173.788 174.900 -1.185 0.000 1.298 329 G CA -0.614 43.825 45.100 -1.101 0.000 0.948 329 G HN 0.395 8.685 8.290 -0.000 0.000 0.486 330 A N 1.052 123.004 122.820 -1.447 0.000 2.488 330 A HA 0.594 4.909 4.320 -0.010 0.000 0.249 330 A C 0.559 177.910 177.584 -0.389 0.000 1.083 330 A CA 0.144 51.431 52.037 -1.250 0.000 0.768 330 A CB 0.246 18.467 19.000 -1.298 0.000 1.017 330 A HN 2.017 10.167 8.150 -0.000 0.000 0.496 331 V N 0.403 120.327 119.914 0.017 0.000 3.078 331 V HA 0.934 5.049 4.120 -0.010 0.000 0.311 331 V C -0.192 175.965 176.094 0.106 0.000 1.138 331 V CA -0.133 62.197 62.300 0.049 0.000 1.007 331 V CB 1.719 33.422 31.823 -0.200 0.000 1.045 331 V HN 1.197 9.387 8.190 -0.000 0.000 0.432 332 T N 0.133 114.640 114.554 -0.077 0.000 2.855 332 T HA 0.797 5.141 4.350 -0.010 0.000 0.281 332 T C -0.944 173.608 174.700 -0.247 0.000 1.007 332 T CA -0.285 61.745 62.100 -0.118 0.000 1.009 332 T CB 1.240 70.067 68.868 -0.068 0.000 0.983 332 T HN 0.557 8.797 8.240 -0.000 0.000 0.455 333 F N 1.685 121.629 119.950 -0.010 0.000 2.443 333 F HA 0.610 5.132 4.527 -0.009 0.000 0.335 333 F C 1.154 176.994 175.800 0.067 0.000 1.104 333 F CA -0.701 57.328 58.000 0.047 0.000 1.013 333 F CB 2.197 41.229 39.000 0.054 0.000 1.136 333 F HN 0.863 9.163 8.300 -0.000 0.000 0.470 334 T N 0.454 115.162 114.554 0.256 0.000 2.940 334 T HA 0.650 4.994 4.350 -0.010 0.000 0.288 334 T C -0.778 174.023 174.700 0.168 0.000 1.033 334 T CA -1.013 61.183 62.100 0.160 0.000 1.033 334 T CB 2.186 71.092 68.868 0.062 0.000 1.079 334 T HN 0.742 8.982 8.240 -0.000 0.000 0.496 335 R N 1.035 121.544 120.500 0.016 0.000 2.575 335 R HA 0.289 4.624 4.340 -0.010 0.000 0.293 335 R C -0.985 175.160 176.300 -0.259 0.000 0.983 335 R CA -0.410 55.535 56.100 -0.259 0.000 0.887 335 R CB 0.849 30.917 30.300 -0.386 0.000 1.184 335 R HN 0.825 9.095 8.270 -0.000 0.000 0.445 336 D N 3.614 123.808 120.400 -0.343 0.000 2.781 336 D HA -0.213 4.421 4.640 -0.010 0.000 0.221 336 D C 0.835 177.054 176.300 -0.136 0.000 1.224 336 D CA 2.042 55.906 54.000 -0.227 0.000 0.625 336 D CB -0.856 39.813 40.800 -0.218 0.000 0.987 336 D HN 1.042 9.412 8.370 -0.000 0.000 0.402 337 G N -0.920 107.819 108.800 -0.103 0.000 2.179 337 G HA2 -0.324 3.630 3.960 -0.010 0.000 0.260 337 G HA3 -0.324 3.630 3.960 -0.010 0.000 0.260 337 G C 0.199 175.075 174.900 -0.041 0.000 0.977 337 G CA 0.236 45.300 45.100 -0.061 0.000 0.641 337 G HN 0.421 8.711 8.290 -0.000 0.000 0.533 338 Q N 0.422 120.196 119.800 -0.042 0.000 2.301 338 Q HA 0.508 4.842 4.340 -0.010 0.000 0.267 338 Q C -2.429 173.576 176.000 0.009 0.000 1.035 338 Q CA -2.211 53.580 55.803 -0.020 0.000 0.856 338 Q CB 1.933 30.654 28.738 -0.028 0.000 1.337 338 Q HN 0.244 8.514 8.270 -0.000 0.000 0.450 339 P HA 0.023 4.443 4.420 -0.000 0.000 0.264 339 P C -0.678 176.655 177.300 0.055 0.000 1.193 339 P CA 0.386 63.506 63.100 0.033 0.000 0.763 339 P CB 0.862 32.570 31.700 0.013 0.000 0.810 340 A N 2.786 125.665 122.820 0.099 0.000 1.937 340 A HA 0.630 4.944 4.320 -0.010 0.000 0.198 340 A C 0.846 178.496 177.584 0.109 0.000 1.635 340 A CA 1.018 53.135 52.037 0.134 0.000 1.111 340 A CB 0.179 19.328 19.000 0.248 0.000 1.165 340 A HN 0.672 8.822 8.150 -0.000 0.000 0.460 341 G N -0.923 107.944 108.800 0.111 0.000 2.360 341 G HA2 0.497 4.451 3.960 -0.010 0.000 0.276 341 G HA3 0.497 4.451 3.960 -0.010 0.000 0.276 341 G C -1.618 173.330 174.900 0.079 0.000 1.256 341 G CA -0.713 44.414 45.100 0.044 0.000 0.890 341 G HN 0.352 8.642 8.290 -0.000 0.000 0.486 342 R N -1.270 119.231 120.500 0.002 0.000 2.740 342 R HA 0.730 5.064 4.340 -0.010 0.000 0.273 342 R C 0.010 176.409 176.300 0.166 0.000 0.998 342 R CA 0.073 56.116 56.100 -0.096 0.000 0.900 342 R CB 2.270 32.090 30.300 -0.799 0.000 1.223 342 R HN 1.413 9.683 8.270 -0.000 0.000 0.466 343 G N 0.361 109.452 108.800 0.485 0.000 2.450 343 G HA2 0.271 4.225 3.960 -0.010 0.000 0.273 343 G HA3 0.271 4.225 3.960 -0.010 0.000 0.273 343 G C -2.140 173.132 174.900 0.620 0.000 1.221 343 G CA -0.239 45.188 45.100 0.544 0.000 0.900 343 G HN 0.324 8.614 8.290 -0.000 0.000 0.483 347 L N 3.421 124.861 121.223 0.361 0.000 2.381 347 L HA 0.613 4.948 4.340 -0.010 0.000 0.274 347 L C -0.119 176.899 176.870 0.246 0.000 0.988 347 L CA -0.720 54.292 54.840 0.287 0.000 0.824 347 L CB 1.971 44.126 42.059 0.160 0.000 1.263 347 L HN 0.679 8.909 8.230 -0.000 0.000 0.410 348 T N -1.715 112.839 114.554 0.001 0.000 2.924 348 T HA 0.693 5.037 4.350 -0.010 0.000 0.291 348 T C 0.670 175.310 174.700 -0.101 0.000 1.045 348 T CA 0.004 62.016 62.100 -0.148 0.000 1.015 348 T CB 1.953 70.355 68.868 -0.777 0.000 1.103 348 T HN 0.963 9.203 8.240 -0.000 0.000 0.496 349 G N 0.495 109.212 108.800 -0.137 0.000 2.149 349 G HA2 -0.246 3.708 3.960 -0.010 0.000 0.235 349 G HA3 -0.246 3.708 3.960 -0.010 0.000 0.235 349 G C 0.145 174.864 174.900 -0.302 0.000 1.018 349 G CA 0.449 45.414 45.100 -0.225 0.000 0.728 349 G HN 0.808 9.098 8.290 -0.000 0.000 0.508 350 Y N -0.624 119.579 120.300 -0.161 0.000 2.462 350 Y HA 0.396 4.939 4.550 -0.011 0.000 0.261 350 Y C 2.027 177.771 175.900 -0.259 0.000 1.146 350 Y CA 0.220 58.163 58.100 -0.262 0.000 1.283 350 Y CB 0.422 38.578 38.460 -0.507 0.000 1.090 350 Y HN 0.245 8.525 8.280 -0.000 0.000 0.526 351 V N 0.000 119.875 119.914 -0.065 0.000 2.409 351 V HA 0.000 4.114 4.120 -0.010 0.000 0.244 351 V CA 0.000 62.253 62.300 -0.078 0.000 1.235 351 V CB 0.000 31.789 31.823 -0.056 0.000 1.184 351 V HN 0.000 8.190 8.190 -0.000 0.000 0.556