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 2r0z_1_H DATA FIRST_RESID 1 DATA SEQUENCE QVTLKESGPG ILKPSQTLSL TcSFSGFSLS TSGMGWIRQP SGKGLEWLAH DATA SEQUENCE IWWDDDRSYN PSLKSQLTIS KDTSRNQVFL RVDTADTATY YcVRRAHTTF DATA SEQUENCE AYWGQGTLVT VSAAKTTAPS VYPLAPVCXX XXXSSVTLGc LVKGYFPEPV DATA SEQUENCE TLTWNSGXLS SGVHTFPALL QXDLYTLSSS STVTSSTWPS QSITcNVAHP DATA SEQUENCE ASSTKVDKKI EPR 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 0.000 176.008 176.000 0.013 0.000 1.003 1 Q CA 0.000 55.827 55.803 0.040 0.000 1.022 1 Q CB 0.000 28.769 28.738 0.052 0.000 1.108 2 V N 2.979 122.855 119.914 -0.063 0.000 2.432 2 V HA 0.823 4.946 4.120 0.005 0.000 0.275 2 V C 0.246 176.331 176.094 -0.016 0.000 1.043 2 V CA 0.109 62.318 62.300 -0.152 0.000 0.925 2 V CB 1.303 32.653 31.823 -0.788 0.000 0.985 2 V HN 0.997 9.187 8.190 -0.000 0.000 0.466 3 T N 6.139 120.750 114.554 0.094 0.000 2.907 3 T HA 0.817 5.171 4.350 0.005 0.000 0.292 3 T C -0.785 174.035 174.700 0.200 0.000 1.043 3 T CA -0.560 61.620 62.100 0.134 0.000 1.003 3 T CB 1.795 70.725 68.868 0.103 0.000 1.084 3 T HN 0.336 8.576 8.240 -0.000 0.000 0.483 4 L N 2.057 123.391 121.223 0.186 0.000 2.482 4 L HA 0.535 4.878 4.340 0.005 0.000 0.269 4 L C -0.514 176.442 176.870 0.144 0.000 0.967 4 L CA -0.605 54.349 54.840 0.191 0.000 0.851 4 L CB 1.963 44.126 42.059 0.174 0.000 1.242 4 L HN 0.452 8.682 8.230 -0.000 0.000 0.404 5 K N 2.942 123.412 120.400 0.117 0.000 2.450 5 K HA 0.539 4.862 4.320 0.005 0.000 0.257 5 K C -0.979 175.697 176.600 0.126 0.000 0.953 5 K CA -0.584 55.769 56.287 0.110 0.000 0.844 5 K CB 1.493 34.043 32.500 0.084 0.000 1.103 5 K HN 0.487 8.737 8.250 -0.000 0.000 0.429 6 E N 1.377 121.676 120.200 0.165 0.000 2.301 6 E HA 0.204 4.557 4.350 0.005 0.000 0.275 6 E C -0.842 175.876 176.600 0.196 0.000 1.030 6 E CA -0.299 56.257 56.400 0.260 0.000 0.852 6 E CB 1.500 31.413 29.700 0.356 0.000 1.060 6 E HN 0.596 8.956 8.360 -0.000 0.000 0.401 7 S N 0.381 116.202 115.700 0.203 0.000 2.541 7 S HA 0.911 5.384 4.470 0.005 0.000 0.280 7 S C -0.133 174.514 174.600 0.078 0.000 1.112 7 S CA -0.606 57.666 58.200 0.119 0.000 0.925 7 S CB 2.026 65.284 63.200 0.097 0.000 1.067 7 S HN 0.631 8.941 8.310 -0.000 0.000 0.479 8 G N 0.703 109.520 108.800 0.028 0.000 2.682 8 G HA2 0.701 4.664 3.960 0.005 0.000 0.303 8 G HA3 0.701 4.664 3.960 0.005 0.000 0.303 8 G C -2.422 172.464 174.900 -0.025 0.000 1.341 8 G CA -0.962 44.118 45.100 -0.033 0.000 0.784 8 G HN 0.574 8.864 8.290 -0.000 0.000 0.497 9 P HA 0.178 4.598 4.420 -0.000 0.000 0.240 9 P C 1.410 178.705 177.300 -0.007 0.000 1.190 9 P CA 1.535 64.620 63.100 -0.025 0.000 0.781 9 P CB 0.764 32.442 31.700 -0.037 0.000 0.931 10 G N 0.965 109.762 108.800 -0.005 0.000 4.526 10 G HA2 -0.248 3.715 3.960 0.005 0.000 0.217 10 G HA3 -0.248 3.715 3.960 0.005 0.000 0.217 10 G C 0.010 174.931 174.900 0.035 0.000 1.428 10 G CA 0.141 45.249 45.100 0.014 0.000 0.928 10 G HN 0.369 8.659 8.290 -0.000 0.000 0.639 11 I N 0.827 121.425 120.570 0.047 0.000 2.509 11 I HA 0.765 4.938 4.170 0.005 0.000 0.293 11 I C -0.688 175.472 176.117 0.071 0.000 1.020 11 I CA -0.915 60.441 61.300 0.095 0.000 1.088 11 I CB 1.968 40.059 38.000 0.151 0.000 1.267 11 I HN 0.344 8.554 8.210 -0.000 0.000 0.430 12 L N 5.770 127.037 121.223 0.072 0.000 2.434 12 L HA 0.493 4.836 4.340 0.005 0.000 0.260 12 L C -0.952 175.937 176.870 0.032 0.000 0.983 12 L CA -0.439 54.420 54.840 0.032 0.000 0.820 12 L CB 2.187 44.244 42.059 -0.004 0.000 1.361 12 L HN 0.423 8.653 8.230 -0.000 0.000 0.410 13 K N 3.443 123.848 120.400 0.008 0.000 2.144 13 K HA 0.468 4.791 4.320 0.005 0.000 0.270 13 K C -2.424 174.166 176.600 -0.017 0.000 1.005 13 K CA -1.572 54.709 56.287 -0.009 0.000 0.932 13 K CB 0.643 33.132 32.500 -0.018 0.000 1.021 13 K HN 0.320 8.570 8.250 -0.000 0.000 0.462 14 P HA -0.120 4.300 4.420 -0.000 0.000 0.265 14 P C 0.080 177.365 177.300 -0.026 0.000 1.193 14 P CA 0.694 63.779 63.100 -0.024 0.000 0.765 14 P CB 0.723 32.404 31.700 -0.031 0.000 0.823 15 S N 0.258 115.943 115.700 -0.025 0.000 2.319 15 S HA -0.205 4.268 4.470 0.005 0.000 0.253 15 S C 0.316 174.897 174.600 -0.030 0.000 1.235 15 S CA 0.898 59.082 58.200 -0.027 0.000 1.388 15 S CB -2.204 60.980 63.200 -0.026 0.000 1.723 15 S HN 0.697 9.007 8.310 -0.000 0.000 0.611 16 Q N 0.720 120.501 119.800 -0.031 0.000 2.199 16 Q HA 0.710 5.053 4.340 0.005 0.000 0.232 16 Q C -0.590 175.382 176.000 -0.047 0.000 0.969 16 Q CA -0.404 55.377 55.803 -0.036 0.000 0.925 16 Q CB 0.668 29.387 28.738 -0.032 0.000 1.198 16 Q HN 0.270 8.540 8.270 -0.000 0.000 0.494 17 T N 1.929 116.450 114.554 -0.054 0.000 2.771 17 T HA 0.316 4.670 4.350 0.005 0.000 0.291 17 T C -0.532 174.114 174.700 -0.090 0.000 0.954 17 T CA -0.587 61.471 62.100 -0.070 0.000 1.045 17 T CB 0.468 69.296 68.868 -0.067 0.000 0.917 17 T HN 0.438 8.678 8.240 -0.000 0.000 0.484 18 L N 3.938 125.090 121.223 -0.119 0.000 2.290 18 L HA 0.508 4.851 4.340 0.005 0.000 0.284 18 L C -0.201 176.555 176.870 -0.191 0.000 1.078 18 L CA 0.401 55.138 54.840 -0.171 0.000 0.815 18 L CB 0.860 42.776 42.059 -0.239 0.000 1.162 18 L HN 0.498 8.728 8.230 -0.000 0.000 0.435 19 S N 6.181 121.773 115.700 -0.181 0.000 2.596 19 S HA 0.667 5.140 4.470 0.005 0.000 0.318 19 S C -0.655 173.839 174.600 -0.177 0.000 1.097 19 S CA -0.487 57.617 58.200 -0.161 0.000 1.080 19 S CB 0.836 63.970 63.200 -0.110 0.000 0.991 19 S HN 0.537 8.847 8.310 -0.000 0.000 0.471 20 L N 2.688 123.766 121.223 -0.241 0.000 2.346 20 L HA 0.635 4.978 4.340 0.005 0.000 0.274 20 L C -0.145 176.749 176.870 0.041 0.000 1.007 20 L CA -0.496 54.183 54.840 -0.267 0.000 0.818 20 L CB 2.130 43.707 42.059 -0.802 0.000 1.284 20 L HN 0.464 8.694 8.230 -0.000 0.000 0.424 21 T N 0.859 115.554 114.554 0.234 0.000 2.812 21 T HA 0.265 4.618 4.350 0.005 0.000 0.282 21 T C -0.954 174.012 174.700 0.443 0.000 0.990 21 T CA -0.364 61.974 62.100 0.396 0.000 0.960 21 T CB 1.463 70.534 68.868 0.338 0.000 0.948 21 T HN 0.599 8.839 8.240 -0.000 0.000 0.438 22 c N 3.682 122.508 118.600 0.378 0.000 2.303 22 c HA 0.714 5.288 4.570 0.005 0.000 0.326 22 c C 0.083 174.177 174.090 0.006 0.000 1.285 22 c CA -0.342 56.080 56.329 0.154 0.000 1.675 22 c CB -0.672 41.786 42.510 -0.086 0.000 2.289 22 c HN 0.879 9.109 8.230 -0.000 0.000 0.512 23 S N 5.941 121.638 115.700 -0.005 0.000 2.474 23 S HA 0.699 5.172 4.470 0.005 0.000 0.321 23 S C -0.579 173.964 174.600 -0.095 0.000 1.080 23 S CA -0.426 57.678 58.200 -0.160 0.000 1.106 23 S CB 0.470 63.608 63.200 -0.103 0.000 0.984 23 S HN 0.700 9.010 8.310 -0.000 0.000 0.464 24 F N 0.608 120.476 119.950 -0.138 0.000 2.572 24 F HA 0.954 5.484 4.527 0.005 0.000 0.342 24 F C 0.207 175.872 175.800 -0.225 0.000 1.064 24 F CA -1.081 56.827 58.000 -0.153 0.000 1.008 24 F CB 0.883 39.767 39.000 -0.194 0.000 1.303 24 F HN 0.513 8.813 8.300 -0.000 0.000 0.492 25 S N -1.900 113.865 115.700 0.108 0.000 2.615 25 S HA 0.605 5.078 4.470 0.005 0.000 0.269 25 S C 0.011 174.675 174.600 0.107 0.000 1.161 25 S CA -0.476 57.730 58.200 0.011 0.000 0.817 25 S CB 0.883 64.079 63.200 -0.007 0.000 1.131 25 S HN 2.399 10.709 8.310 -0.000 0.000 0.467 26 G N 0.178 109.021 108.800 0.071 0.000 2.148 26 G HA2 -0.042 3.921 3.960 0.005 0.000 0.254 26 G HA3 -0.042 3.921 3.960 0.005 0.000 0.254 26 G C -0.127 174.915 174.900 0.237 0.000 0.981 26 G CA 0.827 45.997 45.100 0.116 0.000 0.670 26 G HN 2.136 10.426 8.290 -0.000 0.000 0.528 27 F N -2.181 117.779 119.950 0.018 0.000 2.799 27 F HA 0.758 5.288 4.527 0.005 0.000 0.316 27 F C -0.746 175.115 175.800 0.102 0.000 1.155 27 F CA -0.764 57.236 58.000 -0.001 0.000 0.916 27 F CB 0.887 39.826 39.000 -0.102 0.000 1.294 27 F HN 0.520 8.820 8.300 -0.000 0.000 0.447 28 S N 1.481 117.236 115.700 0.092 0.000 2.513 28 S HA 0.555 5.028 4.470 0.005 0.000 0.299 28 S C -0.266 174.420 174.600 0.143 0.000 1.087 28 S CA -0.754 57.483 58.200 0.062 0.000 1.012 28 S CB 1.764 65.006 63.200 0.070 0.000 1.044 28 S HN 0.930 9.240 8.310 -0.000 0.000 0.485 29 L N 3.653 124.974 121.223 0.163 0.000 2.599 29 L HA 0.173 4.516 4.340 0.005 0.000 0.230 29 L C 1.473 178.494 176.870 0.252 0.000 1.141 29 L CA 0.274 55.239 54.840 0.207 0.000 0.877 29 L CB -0.023 42.167 42.059 0.219 0.000 1.009 29 L HN 0.646 8.876 8.230 -0.000 0.000 0.447 30 S N -1.343 114.472 115.700 0.192 0.000 2.528 30 S HA 0.026 4.499 4.470 0.005 0.000 0.219 30 S C 0.835 175.509 174.600 0.124 0.000 0.985 30 S CA 0.046 58.362 58.200 0.192 0.000 0.914 30 S CB 0.066 63.346 63.200 0.134 0.000 0.776 30 S HN 0.307 8.617 8.310 -0.000 0.000 0.526 31 T N 3.769 118.365 114.554 0.070 0.000 2.784 31 T HA 0.134 4.487 4.350 0.005 0.000 0.291 31 T C 0.363 174.907 174.700 -0.259 0.000 0.942 31 T CA -0.145 61.918 62.100 -0.061 0.000 1.161 31 T CB 0.470 69.327 68.868 -0.018 0.000 0.885 31 T HN 0.367 8.607 8.240 -0.000 0.000 0.534 32 S N 3.104 118.457 115.700 -0.578 0.000 2.516 32 S HA 0.458 4.932 4.470 0.005 0.000 0.282 32 S C 1.441 175.360 174.600 -1.135 0.000 1.286 32 S CA 0.050 57.348 58.200 -1.503 0.000 1.066 32 S CB 0.379 62.637 63.200 -1.570 0.000 0.884 32 S HN 1.225 9.535 8.310 -0.000 0.000 0.491 33 G N 2.298 110.306 108.800 -1.320 0.000 2.253 33 G HA2 -0.218 3.745 3.960 0.005 0.000 0.209 33 G HA3 -0.218 3.745 3.960 0.005 0.000 0.209 33 G C -0.154 174.607 174.900 -0.232 0.000 0.997 33 G CA 0.103 44.700 45.100 -0.839 0.000 0.640 33 G HN 0.900 9.190 8.290 -0.000 0.000 0.496 34 M N 1.409 121.034 119.600 0.041 0.000 2.291 34 M HA 0.720 5.203 4.480 0.005 0.000 0.324 34 M C 0.724 177.400 176.300 0.628 0.000 1.148 34 M CA 0.641 56.109 55.300 0.281 0.000 1.104 34 M CB 1.354 34.064 32.600 0.183 0.000 1.483 34 M HN 1.426 9.716 8.290 -0.000 0.000 0.467 35 G N 1.351 109.973 108.800 -0.297 0.000 2.323 35 G HA2 0.371 4.335 3.960 0.005 0.000 0.291 35 G HA3 0.371 4.335 3.960 0.005 0.000 0.291 35 G C -2.517 172.186 174.900 -0.327 0.000 1.278 35 G CA -0.962 44.071 45.100 -0.112 0.000 0.860 35 G HN 0.699 8.989 8.290 -0.000 0.000 0.504 36 W N -0.452 120.809 121.300 -0.065 0.000 2.883 36 W HA 0.787 5.450 4.660 0.005 0.000 0.335 36 W C -0.339 176.095 176.519 -0.141 0.000 1.083 36 W CA -0.663 56.636 57.345 -0.076 0.000 1.233 36 W CB 2.196 31.632 29.460 -0.040 0.000 1.412 36 W HN 0.385 8.565 8.180 -0.000 0.000 0.490 37 I N 3.304 124.000 120.570 0.210 0.000 2.582 37 I HA 0.529 4.702 4.170 0.005 0.000 0.292 37 I C -0.275 175.992 176.117 0.250 0.000 1.066 37 I CA -1.352 60.044 61.300 0.160 0.000 1.053 37 I CB 2.101 40.130 38.000 0.048 0.000 1.241 37 I HN 0.430 8.640 8.210 -0.000 0.000 0.421 38 R N 4.382 124.925 120.500 0.072 0.000 2.854 38 R HA 0.722 5.066 4.340 0.005 0.000 0.271 38 R C -1.121 175.172 176.300 -0.013 0.000 0.996 38 R CA -0.899 55.095 56.100 -0.178 0.000 0.961 38 R CB 2.052 31.896 30.300 -0.760 0.000 1.182 38 R HN 0.604 8.874 8.270 -0.000 0.000 0.479 39 Q N 1.993 121.767 119.800 -0.043 0.000 2.350 39 Q HA 0.357 4.700 4.340 0.005 0.000 0.255 39 Q C -2.630 173.366 176.000 -0.006 0.000 0.951 39 Q CA -2.203 53.633 55.803 0.056 0.000 0.751 39 Q CB 2.503 31.376 28.738 0.226 0.000 1.296 39 Q HN 0.478 8.748 8.270 -0.000 0.000 0.453 40 P HA -0.046 4.374 4.420 -0.000 0.000 0.266 40 P C -0.492 176.832 177.300 0.040 0.000 1.195 40 P CA 0.177 63.285 63.100 0.013 0.000 0.768 40 P CB 0.926 32.640 31.700 0.022 0.000 0.838 41 S N 3.057 118.788 115.700 0.051 0.000 2.626 41 S HA 0.190 4.663 4.470 0.005 0.000 0.303 41 S C 1.428 176.063 174.600 0.059 0.000 1.256 41 S CA 1.024 59.260 58.200 0.060 0.000 1.069 41 S CB -1.410 61.833 63.200 0.072 0.000 0.807 41 S HN 0.917 9.227 8.310 -0.000 0.000 0.500 42 G N 3.145 111.979 108.800 0.056 0.000 2.198 42 G HA2 -0.201 3.762 3.960 0.005 0.000 0.260 42 G HA3 -0.201 3.762 3.960 0.005 0.000 0.260 42 G C -0.017 174.910 174.900 0.045 0.000 1.025 42 G CA 0.542 45.672 45.100 0.051 0.000 0.769 42 G HN 0.916 9.206 8.290 -0.000 0.000 0.507 43 K N -1.585 118.843 120.400 0.046 0.000 2.439 43 K HA 0.859 5.182 4.320 0.005 0.000 0.260 43 K C 0.879 177.507 176.600 0.046 0.000 1.032 43 K CA -0.339 55.973 56.287 0.043 0.000 0.882 43 K CB 1.150 33.674 32.500 0.041 0.000 1.420 43 K HN 1.231 9.481 8.250 -0.000 0.000 0.455 44 G N -0.112 108.716 108.800 0.045 0.000 2.651 44 G HA2 0.487 4.450 3.960 0.005 0.000 0.260 44 G HA3 0.487 4.450 3.960 0.005 0.000 0.260 44 G C -0.318 174.624 174.900 0.069 0.000 1.216 44 G CA -0.643 44.487 45.100 0.051 0.000 0.913 44 G HN 0.427 8.717 8.290 -0.000 0.000 0.535 45 L N -0.168 121.106 121.223 0.084 0.000 2.350 45 L HA 0.435 4.778 4.340 0.005 0.000 0.275 45 L C 0.458 177.406 176.870 0.130 0.000 1.099 45 L CA -0.191 54.724 54.840 0.124 0.000 0.808 45 L CB 1.376 43.522 42.059 0.145 0.000 1.149 45 L HN 0.566 8.796 8.230 -0.000 0.000 0.442 46 E N 1.995 122.277 120.200 0.137 0.000 2.246 46 E HA 0.162 4.515 4.350 0.005 0.000 0.266 46 E C -1.687 175.032 176.600 0.198 0.000 0.880 46 E CA -0.793 55.699 56.400 0.153 0.000 0.762 46 E CB 1.362 31.118 29.700 0.094 0.000 1.180 46 E HN 0.499 8.859 8.360 -0.000 0.000 0.416 47 W N 6.174 127.508 121.300 0.057 0.000 2.261 47 W HA 0.287 4.949 4.660 0.003 0.000 0.323 47 W C -0.515 176.061 176.519 0.095 0.000 1.243 47 W CA -0.216 57.160 57.345 0.052 0.000 1.210 47 W CB 0.666 30.154 29.460 0.046 0.000 1.149 47 W HN 0.648 8.828 8.180 -0.000 0.000 0.562 48 L N 3.785 124.505 121.223 -0.838 0.000 2.590 48 L HA 0.587 4.930 4.340 0.005 0.000 0.181 48 L C 0.696 176.881 176.870 -1.142 0.000 1.134 48 L CA 0.186 54.626 54.840 -0.667 0.000 0.850 48 L CB -0.613 41.322 42.059 -0.207 0.000 1.172 48 L HN 0.515 8.745 8.230 -0.000 0.000 0.498 49 A N -1.501 120.632 122.820 -1.146 0.000 2.612 49 A HA 0.652 4.975 4.320 0.005 0.000 0.293 49 A C -1.973 175.487 177.584 -0.207 0.000 1.075 49 A CA -0.298 51.299 52.037 -0.733 0.000 0.680 49 A CB 1.224 20.011 19.000 -0.356 0.000 1.279 49 A HN 0.271 8.421 8.150 -0.000 0.000 0.411 50 H N -0.173 118.824 119.070 -0.121 0.000 2.771 50 H HA 0.746 5.305 4.556 0.005 0.000 0.361 50 H C -1.534 173.557 175.328 -0.396 0.000 1.108 50 H CA -0.296 55.661 56.048 -0.152 0.000 1.201 50 H CB 1.385 31.116 29.762 -0.052 0.000 1.681 50 H HN 0.741 9.021 8.280 -0.000 0.000 0.534 51 I N 4.563 124.680 120.570 -0.755 0.000 2.474 51 I HA 0.335 4.508 4.170 0.005 0.000 0.294 51 I C -1.065 174.706 176.117 -0.577 0.000 1.005 51 I CA -0.637 60.348 61.300 -0.526 0.000 1.113 51 I CB 0.951 38.812 38.000 -0.232 0.000 1.289 51 I HN 0.603 8.813 8.210 -0.000 0.000 0.436 52 W N 6.634 127.892 121.300 -0.070 0.000 2.497 52 W HA 0.273 4.936 4.660 0.005 0.000 0.359 52 W C 0.994 177.513 176.519 0.000 0.000 1.131 52 W CA -0.598 56.756 57.345 0.014 0.000 1.280 52 W CB 0.388 29.836 29.460 -0.019 0.000 1.319 52 W HN 0.586 8.766 8.180 -0.000 0.000 0.626 53 W N 1.132 122.655 121.300 0.371 0.000 2.290 53 W HA -0.281 4.382 4.660 0.005 0.000 0.311 53 W C 0.772 177.400 176.519 0.182 0.000 1.238 53 W CA 1.968 59.447 57.345 0.223 0.000 1.255 53 W CB -1.360 28.219 29.460 0.198 0.000 1.145 53 W HN 0.407 8.587 8.180 -0.000 0.000 0.506 54 D N -0.551 119.400 120.400 -0.748 0.000 2.358 54 D HA 0.002 4.645 4.640 0.005 0.000 0.224 54 D C 0.289 176.409 176.300 -0.301 0.000 1.123 54 D CA 0.465 54.028 54.000 -0.728 0.000 0.833 54 D CB -0.815 39.117 40.800 -1.446 0.000 0.946 54 D HN -0.023 8.347 8.370 -0.000 0.000 0.505 55 D N -0.023 120.307 120.400 -0.118 0.000 3.077 55 D HA -0.196 4.447 4.640 0.005 0.000 0.212 55 D C -0.563 175.740 176.300 0.005 0.000 1.125 55 D CA 1.019 55.005 54.000 -0.023 0.000 0.970 55 D CB -1.374 39.421 40.800 -0.008 0.000 1.110 55 D HN 0.518 8.888 8.370 -0.000 0.000 0.419 56 D N -0.105 120.308 120.400 0.022 0.000 2.389 56 D HA 0.352 4.995 4.640 0.005 0.000 0.247 56 D C 0.177 176.597 176.300 0.200 0.000 1.128 56 D CA 0.258 54.334 54.000 0.128 0.000 0.884 56 D CB 0.561 41.447 40.800 0.143 0.000 1.194 56 D HN 0.089 8.459 8.370 -0.000 0.000 0.441 57 R N 1.424 121.994 120.500 0.116 0.000 2.837 57 R HA 0.735 5.078 4.340 0.005 0.000 0.271 57 R C -1.019 175.300 176.300 0.032 0.000 0.993 57 R CA -0.983 55.095 56.100 -0.037 0.000 0.931 57 R CB 1.778 31.919 30.300 -0.265 0.000 1.206 57 R HN 0.193 8.463 8.270 -0.000 0.000 0.474 58 S N 0.538 116.235 115.700 -0.005 0.000 2.500 58 S HA 0.591 5.064 4.470 0.005 0.000 0.301 58 S C -1.274 173.305 174.600 -0.035 0.000 1.092 58 S CA -0.755 57.548 58.200 0.172 0.000 1.030 58 S CB 0.646 64.103 63.200 0.429 0.000 1.031 58 S HN 0.414 8.724 8.310 -0.000 0.000 0.483 59 Y N 0.987 121.412 120.300 0.209 0.000 2.509 59 Y HA 0.407 4.959 4.550 0.005 0.000 0.341 59 Y C 0.615 176.584 175.900 0.115 0.000 1.038 59 Y CA -1.102 57.010 58.100 0.020 0.000 1.089 59 Y CB 0.908 39.373 38.460 0.009 0.000 1.241 59 Y HN 0.512 8.792 8.280 -0.000 0.000 0.468 60 N N 3.634 122.389 118.700 0.091 0.000 2.427 60 N HA 0.045 4.788 4.740 0.005 0.000 0.269 60 N C -2.028 173.591 175.510 0.183 0.000 1.235 60 N CA -1.240 51.938 53.050 0.213 0.000 0.934 60 N CB 1.028 39.564 38.487 0.081 0.000 1.121 60 N HN 0.358 8.738 8.380 -0.000 0.000 0.480 61 P HA -0.028 4.392 4.420 -0.000 0.000 0.222 61 P C 0.748 178.097 177.300 0.081 0.000 1.147 61 P CA 0.925 64.105 63.100 0.132 0.000 0.790 61 P CB 0.324 32.103 31.700 0.131 0.000 0.780 62 S N -0.865 114.886 115.700 0.085 0.000 2.489 62 S HA 0.069 4.542 4.470 0.005 0.000 0.228 62 S C 1.281 175.902 174.600 0.035 0.000 0.995 62 S CA 0.772 59.007 58.200 0.058 0.000 0.934 62 S CB -0.474 62.765 63.200 0.066 0.000 0.771 62 S HN 0.193 8.503 8.310 -0.000 0.000 0.522 63 L N 0.147 121.389 121.223 0.031 0.000 3.069 63 L HA 0.374 4.717 4.340 0.005 0.000 0.271 63 L C 1.608 178.454 176.870 -0.040 0.000 1.201 63 L CA -0.070 54.771 54.840 0.003 0.000 1.015 63 L CB 0.045 42.111 42.059 0.012 0.000 1.371 63 L HN 0.047 8.277 8.230 -0.000 0.000 0.574 64 K N 1.183 121.552 120.400 -0.052 0.000 2.211 64 K HA -0.123 4.201 4.320 0.005 0.000 0.203 64 K C 2.175 178.648 176.600 -0.211 0.000 1.050 64 K CA 1.551 57.740 56.287 -0.163 0.000 0.945 64 K CB 0.188 32.620 32.500 -0.112 0.000 0.732 64 K HN 0.385 8.635 8.250 -0.000 0.000 0.451 65 S N -0.175 115.453 115.700 -0.120 0.000 2.481 65 S HA -0.088 4.385 4.470 0.005 0.000 0.231 65 S C 1.578 176.115 174.600 -0.104 0.000 0.996 65 S CA 0.559 58.696 58.200 -0.105 0.000 0.942 65 S CB 0.035 63.197 63.200 -0.063 0.000 0.768 65 S HN 0.380 8.690 8.310 -0.000 0.000 0.520 66 Q N -0.048 119.692 119.800 -0.100 0.000 2.378 66 Q HA 0.405 4.748 4.340 0.005 0.000 0.216 66 Q C -0.200 175.741 176.000 -0.099 0.000 0.892 66 Q CA 0.126 55.879 55.803 -0.083 0.000 0.931 66 Q CB 0.350 29.056 28.738 -0.053 0.000 1.086 66 Q HN 0.491 8.761 8.270 -0.000 0.000 0.528 67 L N 0.717 121.853 121.223 -0.146 0.000 2.325 67 L HA 0.459 4.803 4.340 0.005 0.000 0.278 67 L C -0.531 176.245 176.870 -0.157 0.000 1.023 67 L CA -0.352 54.423 54.840 -0.108 0.000 0.811 67 L CB 2.087 44.143 42.059 -0.006 0.000 1.249 67 L HN -0.161 8.069 8.230 -0.000 0.000 0.431 68 T N 3.717 118.296 114.554 0.042 0.000 3.011 68 T HA 0.472 4.825 4.350 0.005 0.000 0.303 68 T C -0.786 174.053 174.700 0.232 0.000 0.997 68 T CA -0.297 61.887 62.100 0.141 0.000 1.007 68 T CB 1.707 70.596 68.868 0.036 0.000 1.017 68 T HN 0.365 8.605 8.240 -0.000 0.000 0.443 69 I N 3.330 124.106 120.570 0.342 0.000 2.493 69 I HA 0.761 4.935 4.170 0.005 0.000 0.298 69 I C -0.340 175.879 176.117 0.169 0.000 0.998 69 I CA -0.142 61.268 61.300 0.184 0.000 1.137 69 I CB 1.204 39.224 38.000 0.032 0.000 1.310 69 I HN 0.838 9.048 8.210 -0.000 0.000 0.445 70 S N 5.861 121.683 115.700 0.203 0.000 2.625 70 S HA 0.689 5.162 4.470 0.005 0.000 0.271 70 S C -1.284 173.454 174.600 0.230 0.000 1.161 70 S CA -0.997 57.340 58.200 0.228 0.000 0.820 70 S CB 2.076 65.444 63.200 0.279 0.000 1.137 70 S HN 0.733 9.043 8.310 -0.000 0.000 0.470 71 K N -0.418 120.106 120.400 0.207 0.000 2.509 71 K HA 0.755 5.078 4.320 0.005 0.000 0.266 71 K C -2.103 174.608 176.600 0.186 0.000 0.987 71 K CA -0.781 55.562 56.287 0.094 0.000 0.868 71 K CB 1.901 34.443 32.500 0.070 0.000 1.421 71 K HN 0.448 8.698 8.250 -0.000 0.000 0.444 72 D N 1.055 121.505 120.400 0.084 0.000 2.346 72 D HA 0.269 4.912 4.640 0.005 0.000 0.255 72 D C 0.614 176.936 176.300 0.036 0.000 1.276 72 D CA -0.207 53.867 54.000 0.123 0.000 0.941 72 D CB 1.450 42.384 40.800 0.224 0.000 1.199 72 D HN 0.824 9.194 8.370 -0.000 0.000 0.537 73 T N 0.516 115.115 114.554 0.074 0.000 2.833 73 T HA -0.125 4.229 4.350 0.005 0.000 0.269 73 T C 1.782 176.499 174.700 0.027 0.000 1.054 73 T CA 2.195 64.346 62.100 0.085 0.000 1.135 73 T CB -0.171 68.770 68.868 0.122 0.000 0.869 73 T HN 0.374 8.614 8.240 -0.000 0.000 0.466 74 S N 0.771 116.484 115.700 0.021 0.000 2.423 74 S HA -0.004 4.470 4.470 0.005 0.000 0.231 74 S C 2.288 176.860 174.600 -0.046 0.000 1.014 74 S CA 1.025 59.225 58.200 -0.001 0.000 0.965 74 S CB -0.087 63.123 63.200 0.016 0.000 0.785 74 S HN 0.621 8.931 8.310 -0.000 0.000 0.495 75 R N 0.069 120.526 120.500 -0.071 0.000 2.362 75 R HA 0.200 4.544 4.340 0.005 0.000 0.227 75 R C -0.422 175.703 176.300 -0.291 0.000 0.905 75 R CA 0.204 56.232 56.100 -0.120 0.000 1.067 75 R CB -0.063 30.211 30.300 -0.043 0.000 1.078 75 R HN 0.556 8.826 8.270 -0.000 0.000 0.516 76 N N 1.649 120.099 118.700 -0.416 0.000 2.756 76 N HA -0.190 4.553 4.740 0.005 0.000 0.248 76 N C -1.145 173.524 175.510 -1.402 0.000 1.062 76 N CA 0.402 52.816 53.050 -1.060 0.000 0.696 76 N CB -0.524 37.375 38.487 -0.981 0.000 0.946 76 N HN 0.308 8.688 8.380 -0.000 0.000 0.548 77 Q N -0.138 119.213 119.800 -0.748 0.000 2.389 77 Q HA 0.744 5.088 4.340 0.005 0.000 0.277 77 Q C -1.124 174.547 176.000 -0.549 0.000 1.082 77 Q CA -0.808 54.631 55.803 -0.607 0.000 0.810 77 Q CB 3.175 31.633 28.738 -0.468 0.000 1.374 77 Q HN 0.020 8.290 8.270 -0.000 0.000 0.422 78 V N 2.089 121.674 119.914 -0.548 0.000 2.789 78 V HA 0.610 4.733 4.120 0.005 0.000 0.311 78 V C -1.401 174.432 176.094 -0.436 0.000 1.073 78 V CA -0.652 61.395 62.300 -0.421 0.000 0.921 78 V CB 1.665 33.478 31.823 -0.017 0.000 1.009 78 V HN 0.595 8.785 8.190 -0.000 0.000 0.426 79 F N 4.182 124.299 119.950 0.280 0.000 2.563 79 F HA 0.798 5.328 4.527 0.005 0.000 0.316 79 F C -0.506 175.355 175.800 0.101 0.000 1.076 79 F CA -0.926 57.188 58.000 0.189 0.000 0.921 79 F CB 1.927 40.971 39.000 0.073 0.000 1.209 79 F HN 0.289 8.589 8.300 -0.000 0.000 0.462 80 L N 3.122 124.346 121.223 0.001 0.000 2.410 80 L HA 0.609 4.952 4.340 0.005 0.000 0.270 80 L C -0.818 175.916 176.870 -0.226 0.000 0.983 80 L CA -0.538 54.149 54.840 -0.255 0.000 0.822 80 L CB 1.721 43.251 42.059 -0.882 0.000 1.285 80 L HN 0.748 8.978 8.230 -0.000 0.000 0.409 81 R N 4.417 124.843 120.500 -0.124 0.000 2.711 81 R HA 0.946 5.289 4.340 0.005 0.000 0.284 81 R C -1.671 174.557 176.300 -0.120 0.000 0.968 81 R CA -0.409 55.619 56.100 -0.121 0.000 0.924 81 R CB 1.823 32.081 30.300 -0.070 0.000 1.162 81 R HN 0.690 8.960 8.270 -0.000 0.000 0.465 82 V N -1.056 118.840 119.914 -0.030 0.000 3.265 82 V HA 0.496 4.619 4.120 0.005 0.000 0.275 82 V C -1.973 174.115 176.094 -0.009 0.000 1.684 82 V CA -1.078 61.211 62.300 -0.017 0.000 1.032 82 V CB 1.740 33.551 31.823 -0.021 0.000 1.250 82 V HN 0.875 9.065 8.190 -0.000 0.000 0.468 83 D N -0.142 120.261 120.400 0.004 0.000 2.592 83 D HA 0.598 5.241 4.640 0.005 0.000 0.263 83 D C 1.215 177.524 176.300 0.016 0.000 1.132 83 D CA 0.450 54.451 54.000 0.002 0.000 0.996 83 D CB 2.427 43.226 40.800 -0.002 0.000 1.442 83 D HN 1.139 9.509 8.370 -0.000 0.000 0.486 84 T N -1.297 113.262 114.554 0.008 0.000 2.897 84 T HA -0.111 4.242 4.350 0.005 0.000 0.271 84 T C 1.581 176.301 174.700 0.034 0.000 1.084 84 T CA 1.595 63.706 62.100 0.018 0.000 1.123 84 T CB -0.298 68.566 68.868 -0.006 0.000 0.865 84 T HN 0.335 8.575 8.240 -0.000 0.000 0.496 85 A N 1.426 124.264 122.820 0.029 0.000 2.119 85 A HA 0.045 4.369 4.320 0.005 0.000 0.217 85 A C 1.973 179.590 177.584 0.055 0.000 1.153 85 A CA 1.046 53.105 52.037 0.036 0.000 0.692 85 A CB -0.332 18.684 19.000 0.026 0.000 0.799 85 A HN 0.559 8.709 8.150 -0.000 0.000 0.458 86 D N 0.224 120.667 120.400 0.072 0.000 2.349 86 D HA 0.005 4.648 4.640 0.005 0.000 0.224 86 D C -0.092 176.322 176.300 0.190 0.000 1.029 86 D CA 0.460 54.538 54.000 0.129 0.000 0.879 86 D CB -0.074 40.792 40.800 0.111 0.000 0.906 86 D HN 0.217 8.587 8.370 -0.000 0.000 0.528 87 T N 1.501 116.135 114.554 0.133 0.000 2.817 87 T HA 0.430 4.783 4.350 0.005 0.000 0.295 87 T C 0.251 175.022 174.700 0.118 0.000 0.958 87 T CA -0.054 62.135 62.100 0.149 0.000 1.157 87 T CB 1.122 70.062 68.868 0.122 0.000 0.898 87 T HN 0.148 8.388 8.240 -0.000 0.000 0.536 88 A N 3.055 125.962 122.820 0.146 0.000 2.522 88 A HA 0.595 4.918 4.320 0.005 0.000 0.291 88 A C -0.346 177.246 177.584 0.013 0.000 1.039 88 A CA -1.047 50.982 52.037 -0.013 0.000 0.643 88 A CB 0.675 19.506 19.000 -0.282 0.000 1.310 88 A HN 0.541 8.691 8.150 -0.000 0.000 0.436 89 T N 1.651 116.144 114.554 -0.102 0.000 2.749 89 T HA 0.518 4.871 4.350 0.005 0.000 0.295 89 T C -1.178 173.338 174.700 -0.307 0.000 0.936 89 T CA 0.756 62.764 62.100 -0.155 0.000 1.060 89 T CB -0.309 68.414 68.868 -0.241 0.000 0.904 89 T HN 0.319 8.559 8.240 -0.000 0.000 0.500 90 Y N 2.666 122.873 120.300 -0.154 0.000 2.353 90 Y HA 0.379 4.932 4.550 0.006 0.000 0.340 90 Y C -0.118 175.825 175.900 0.072 0.000 0.972 90 Y CA -1.114 56.999 58.100 0.022 0.000 1.157 90 Y CB 0.462 38.969 38.460 0.079 0.000 1.157 90 Y HN 0.593 8.873 8.280 -0.000 0.000 0.495 91 Y N 1.757 122.305 120.300 0.413 0.000 2.308 91 Y HA 0.344 4.897 4.550 0.004 0.000 0.329 91 Y C 0.322 176.257 175.900 0.059 0.000 1.111 91 Y CA -0.646 57.624 58.100 0.284 0.000 1.179 91 Y CB 1.037 39.684 38.460 0.311 0.000 1.201 91 Y HN 0.567 8.847 8.280 -0.000 0.000 0.483 92 c N 6.003 124.569 118.600 -0.055 0.000 2.347 92 c HA 0.788 5.361 4.570 0.005 0.000 0.353 92 c C -0.252 173.638 174.090 -0.333 0.000 1.273 92 c CA -0.501 55.475 56.329 -0.589 0.000 1.861 92 c CB -1.480 40.653 42.510 -0.628 0.000 2.420 92 c HN 0.686 8.916 8.230 -0.000 0.000 0.542 93 V N 5.232 124.876 119.914 -0.450 0.000 2.789 93 V HA 0.660 4.784 4.120 0.005 0.000 0.311 93 V C -0.463 175.522 176.094 -0.182 0.000 1.073 93 V CA -0.919 61.133 62.300 -0.413 0.000 0.921 93 V CB 1.448 32.764 31.823 -0.845 0.000 1.009 93 V HN 1.012 9.202 8.190 -0.000 0.000 0.426 94 R N 3.273 123.708 120.500 -0.108 0.000 2.404 94 R HA 0.733 5.076 4.340 0.005 0.000 0.291 94 R C -0.586 175.734 176.300 0.032 0.000 1.025 94 R CA -0.698 55.335 56.100 -0.112 0.000 0.991 94 R CB 1.293 31.348 30.300 -0.409 0.000 1.053 94 R HN 0.982 9.252 8.270 -0.000 0.000 0.479 95 R N 2.392 122.945 120.500 0.089 0.000 2.535 95 R HA 0.420 4.763 4.340 0.005 0.000 0.274 95 R C -1.728 174.707 176.300 0.225 0.000 1.090 95 R CA -0.457 55.642 56.100 -0.001 0.000 0.930 95 R CB 2.131 32.238 30.300 -0.322 0.000 1.223 95 R HN 0.797 9.067 8.270 -0.000 0.000 0.441 96 A N 1.317 124.225 122.820 0.146 0.000 2.269 96 A HA 0.381 4.704 4.320 0.005 0.000 0.327 96 A C -0.261 177.458 177.584 0.226 0.000 1.112 96 A CA -0.492 51.679 52.037 0.224 0.000 0.865 96 A CB 0.599 19.598 19.000 -0.002 0.000 1.227 96 A HN 0.977 9.127 8.150 -0.000 0.000 0.498 97 H N -1.558 117.538 119.070 0.042 0.000 2.486 97 H HA 0.438 4.997 4.556 0.005 0.000 0.284 97 H C -0.094 175.159 175.328 -0.124 0.000 1.103 97 H CA 0.300 56.265 56.048 -0.138 0.000 1.089 97 H CB -0.298 29.173 29.762 -0.485 0.000 1.603 97 H HN 0.528 8.808 8.280 -0.000 0.000 0.557 98 T N -2.887 111.530 114.554 -0.229 0.000 2.906 98 T HA 0.315 4.669 4.350 0.005 0.000 0.295 98 T C -0.097 174.534 174.700 -0.115 0.000 1.061 98 T CA -0.992 61.002 62.100 -0.176 0.000 1.000 98 T CB 1.488 70.207 68.868 -0.247 0.000 1.103 98 T HN 0.129 8.369 8.240 -0.000 0.000 0.486 99 T N 2.791 117.292 114.554 -0.087 0.000 2.800 99 T HA 0.148 4.501 4.350 0.005 0.000 0.266 99 T C -0.139 174.519 174.700 -0.069 0.000 0.939 99 T CA 0.148 62.206 62.100 -0.070 0.000 1.199 99 T CB -1.167 67.667 68.868 -0.057 0.000 0.899 99 T HN 0.480 8.720 8.240 -0.000 0.000 0.555 100 F N 2.477 122.406 119.950 -0.035 0.000 2.678 100 F HA 0.247 4.777 4.527 0.005 0.000 0.358 100 F C 1.590 177.464 175.800 0.122 0.000 1.256 100 F CA -1.019 56.950 58.000 -0.052 0.000 1.278 100 F CB -0.180 38.786 39.000 -0.057 0.000 1.681 100 F HN 0.679 8.979 8.300 -0.000 0.000 0.661 101 A N 1.348 124.225 122.820 0.095 0.000 1.935 101 A HA -0.015 4.308 4.320 0.005 0.000 0.214 101 A C 0.119 177.644 177.584 -0.098 0.000 1.178 101 A CA 0.718 52.701 52.037 -0.091 0.000 0.640 101 A CB -0.237 18.519 19.000 -0.406 0.000 0.825 101 A HN 0.482 8.632 8.150 -0.000 0.000 0.447 102 Y N -1.589 118.795 120.300 0.142 0.000 2.342 102 Y HA 0.447 5.000 4.550 0.005 0.000 0.338 102 Y C -0.987 174.963 175.900 0.085 0.000 0.965 102 Y CA -0.720 57.453 58.100 0.122 0.000 1.159 102 Y CB 0.876 39.322 38.460 -0.023 0.000 1.157 102 Y HN 0.291 8.571 8.280 -0.000 0.000 0.486 103 W N 1.592 122.972 121.300 0.132 0.000 2.785 103 W HA 0.637 5.299 4.660 0.004 0.000 0.333 103 W C 0.356 176.951 176.519 0.127 0.000 1.062 103 W CA -1.240 56.148 57.345 0.071 0.000 1.233 103 W CB 1.604 31.038 29.460 -0.044 0.000 1.413 103 W HN 0.670 8.850 8.180 -0.000 0.000 0.489 104 G N 1.140 110.144 108.800 0.339 0.000 2.684 104 G HA2 0.073 4.036 3.960 0.005 0.000 0.255 104 G HA3 0.073 4.036 3.960 0.005 0.000 0.255 104 G C 0.623 175.761 174.900 0.397 0.000 1.219 104 G CA -0.369 44.912 45.100 0.301 0.000 0.901 104 G HN 0.623 8.913 8.290 -0.000 0.000 0.548 105 Q N -0.108 119.866 119.800 0.290 0.000 2.472 105 Q HA 0.246 4.590 4.340 0.005 0.000 0.208 105 Q C 0.954 177.114 176.000 0.266 0.000 0.958 105 Q CA 0.926 56.892 55.803 0.271 0.000 0.932 105 Q CB -0.387 28.453 28.738 0.169 0.000 1.007 105 Q HN 1.493 9.763 8.270 -0.000 0.000 0.508 106 G N 0.285 109.220 108.800 0.225 0.000 2.712 106 G HA2 -0.213 3.750 3.960 0.005 0.000 0.686 106 G HA3 -0.213 3.750 3.960 0.005 0.000 0.686 106 G C -0.890 174.016 174.900 0.011 0.000 1.321 106 G CA -0.094 44.977 45.100 -0.048 0.000 0.813 106 G HN 0.222 8.512 8.290 -0.000 0.000 0.599 107 T N 0.528 115.102 114.554 0.034 0.000 2.841 107 T HA 0.549 4.902 4.350 0.005 0.000 0.285 107 T C -0.078 174.672 174.700 0.085 0.000 0.991 107 T CA -0.388 61.760 62.100 0.080 0.000 0.966 107 T CB 1.027 69.972 68.868 0.128 0.000 0.962 107 T HN 1.475 9.715 8.240 -0.000 0.000 0.438 108 L N 7.033 128.291 121.223 0.058 0.000 2.360 108 L HA 0.623 4.966 4.340 0.005 0.000 0.276 108 L C -0.905 176.021 176.870 0.092 0.000 1.121 108 L CA 0.160 55.045 54.840 0.076 0.000 0.845 108 L CB 0.607 42.692 42.059 0.044 0.000 1.143 108 L HN 0.435 8.665 8.230 -0.000 0.000 0.452 109 V N 4.350 124.356 119.914 0.152 0.000 2.409 109 V HA 0.483 4.607 4.120 0.005 0.000 0.291 109 V C 0.061 176.237 176.094 0.136 0.000 1.020 109 V CA -0.523 61.840 62.300 0.104 0.000 0.848 109 V CB 1.572 33.408 31.823 0.022 0.000 0.990 109 V HN 0.843 9.033 8.190 -0.000 0.000 0.430 110 T N 4.346 118.969 114.554 0.116 0.000 2.779 110 T HA 0.521 4.874 4.350 0.005 0.000 0.280 110 T C -0.287 174.502 174.700 0.148 0.000 0.987 110 T CA -0.389 61.805 62.100 0.157 0.000 0.966 110 T CB 1.592 70.578 68.868 0.197 0.000 0.933 110 T HN 0.334 8.574 8.240 -0.000 0.000 0.442 111 V N 3.408 123.400 119.914 0.129 0.000 2.311 111 V HA 0.693 4.816 4.120 0.005 0.000 0.275 111 V C 0.033 176.169 176.094 0.069 0.000 1.022 111 V CA -0.360 61.990 62.300 0.083 0.000 0.830 111 V CB 1.039 32.894 31.823 0.053 0.000 1.012 111 V HN 0.930 9.120 8.190 -0.000 0.000 0.452 112 S N 3.371 119.102 115.700 0.051 0.000 2.543 112 S HA 0.668 5.141 4.470 0.005 0.000 0.271 112 S C 0.526 175.048 174.600 -0.131 0.000 1.148 112 S CA 0.249 58.417 58.200 -0.053 0.000 0.914 112 S CB 2.059 65.228 63.200 -0.051 0.000 1.096 112 S HN 0.869 9.179 8.310 -0.000 0.000 0.471 113 A N 2.828 125.539 122.820 -0.181 0.000 2.218 113 A HA 0.658 4.981 4.320 0.005 0.000 0.209 113 A C 1.164 178.592 177.584 -0.261 0.000 1.168 113 A CA 0.657 52.593 52.037 -0.169 0.000 0.804 113 A CB -0.709 18.218 19.000 -0.121 0.000 0.834 113 A HN 1.336 9.486 8.150 -0.000 0.000 0.482 114 A N 0.958 123.481 122.820 -0.495 0.000 2.507 114 A HA 0.412 4.735 4.320 0.005 0.000 0.235 114 A C 0.537 177.838 177.584 -0.471 0.000 1.070 114 A CA 0.258 51.915 52.037 -0.633 0.000 0.768 114 A CB -0.000 18.297 19.000 -1.172 0.000 1.011 114 A HN 0.645 8.795 8.150 -0.000 0.000 0.502 115 K N 0.478 120.760 120.400 -0.197 0.000 2.168 115 K HA 0.556 4.879 4.320 0.005 0.000 0.239 115 K C -0.556 176.171 176.600 0.211 0.000 0.999 115 K CA -0.556 55.742 56.287 0.019 0.000 0.900 115 K CB 0.543 33.056 32.500 0.023 0.000 1.111 115 K HN 0.382 8.632 8.250 -0.000 0.000 0.452 116 T N 2.166 116.889 114.554 0.281 0.000 2.792 116 T HA 0.048 4.401 4.350 0.005 0.000 0.286 116 T C -0.622 174.235 174.700 0.261 0.000 0.970 116 T CA 0.234 62.531 62.100 0.328 0.000 1.187 116 T CB -0.233 68.760 68.868 0.208 0.000 0.915 116 T HN 0.529 8.769 8.240 -0.000 0.000 0.529 117 T N 3.052 117.801 114.554 0.325 0.000 2.841 117 T HA 0.613 4.966 4.350 0.005 0.000 0.285 117 T C 0.165 174.994 174.700 0.214 0.000 0.991 117 T CA -0.734 61.497 62.100 0.219 0.000 0.966 117 T CB 1.537 70.505 68.868 0.166 0.000 0.962 117 T HN 0.697 8.937 8.240 -0.000 0.000 0.438 118 A N 5.095 128.008 122.820 0.155 0.000 2.388 118 A HA 0.644 4.967 4.320 0.005 0.000 0.257 118 A C -2.144 175.448 177.584 0.014 0.000 1.095 118 A CA -1.371 50.732 52.037 0.111 0.000 0.791 118 A CB -0.248 18.809 19.000 0.095 0.000 1.029 118 A HN 0.547 8.697 8.150 -0.000 0.000 0.489 119 P HA 0.132 4.552 4.420 -0.000 0.000 0.271 119 P C -0.523 176.702 177.300 -0.125 0.000 1.218 119 P CA -0.061 62.992 63.100 -0.079 0.000 0.780 119 P CB 0.754 32.315 31.700 -0.232 0.000 0.901 120 S N 1.309 116.901 115.700 -0.180 0.000 2.439 120 S HA 0.251 4.724 4.470 0.005 0.000 0.282 120 S C 0.228 174.411 174.600 -0.695 0.000 1.170 120 S CA -0.558 57.394 58.200 -0.413 0.000 1.054 120 S CB 0.147 63.095 63.200 -0.419 0.000 0.956 120 S HN 0.190 8.500 8.310 -0.000 0.000 0.490 121 V N 5.368 124.954 119.914 -0.547 0.000 2.370 121 V HA 0.355 4.478 4.120 0.005 0.000 0.279 121 V C -0.893 174.997 176.094 -0.341 0.000 1.029 121 V CA -0.549 61.511 62.300 -0.401 0.000 0.870 121 V CB 0.095 31.790 31.823 -0.213 0.000 0.984 121 V HN 0.817 9.007 8.190 -0.000 0.000 0.451 122 Y N 6.274 126.579 120.300 0.009 0.000 2.331 122 Y HA 0.451 5.003 4.550 0.005 0.000 0.334 122 Y C -2.189 173.731 175.900 0.034 0.000 0.960 122 Y CA -2.807 55.307 58.100 0.024 0.000 1.130 122 Y CB 2.457 40.937 38.460 0.034 0.000 1.164 122 Y HN 0.454 8.734 8.280 -0.000 0.000 0.458 123 P HA 0.179 4.599 4.420 -0.000 0.000 0.281 123 P C -0.967 176.429 177.300 0.160 0.000 1.252 123 P CA -0.137 63.059 63.100 0.159 0.000 0.778 123 P CB 1.367 33.153 31.700 0.144 0.000 0.895 124 L N 2.810 124.129 121.223 0.160 0.000 2.277 124 L HA 0.591 4.934 4.340 0.005 0.000 0.284 124 L C 0.677 177.590 176.870 0.072 0.000 1.028 124 L CA -0.808 54.100 54.840 0.115 0.000 0.835 124 L CB 1.232 43.360 42.059 0.114 0.000 1.215 124 L HN 0.336 8.566 8.230 -0.000 0.000 0.425 125 A N 4.911 127.775 122.820 0.072 0.000 2.310 125 A HA 0.785 5.108 4.320 0.005 0.000 0.299 125 A C -2.293 175.307 177.584 0.026 0.000 1.147 125 A CA -1.477 50.596 52.037 0.061 0.000 0.818 125 A CB 0.153 19.263 19.000 0.184 0.000 1.096 125 A HN 0.433 8.583 8.150 -0.000 0.000 0.495 126 P HA 0.082 4.502 4.420 -0.000 0.000 0.266 126 P C 0.187 177.529 177.300 0.070 0.000 1.186 126 P CA -0.017 63.084 63.100 0.001 0.000 0.767 126 P CB 0.324 32.029 31.700 0.008 0.000 0.820 127 V N 4.539 124.481 119.914 0.047 0.000 2.763 127 V HA -0.040 4.083 4.120 0.005 0.000 0.306 127 V C 0.645 176.780 176.094 0.068 0.000 1.059 127 V CA -0.364 61.966 62.300 0.051 0.000 1.138 127 V CB -0.171 31.670 31.823 0.030 0.000 0.940 127 V HN 0.736 8.926 8.190 -0.000 0.000 0.489 135 S N 0.839 116.544 115.700 0.008 0.000 2.536 135 S HA 0.837 5.310 4.470 0.005 0.000 0.287 135 S C -0.841 173.751 174.600 -0.014 0.000 1.101 135 S CA -0.381 57.817 58.200 -0.003 0.000 0.950 135 S CB 1.817 65.007 63.200 -0.017 0.000 1.056 135 S HN 1.119 9.429 8.310 -0.000 0.000 0.481 136 V N 2.177 122.073 119.914 -0.030 0.000 2.547 136 V HA 0.725 4.848 4.120 0.005 0.000 0.299 136 V C -0.541 175.460 176.094 -0.156 0.000 1.040 136 V CA -0.110 62.150 62.300 -0.066 0.000 0.913 136 V CB 2.010 33.819 31.823 -0.023 0.000 0.992 136 V HN 1.111 9.301 8.190 -0.000 0.000 0.449 137 T N 7.725 122.179 114.554 -0.167 0.000 2.771 137 T HA 0.679 5.032 4.350 0.005 0.000 0.281 137 T C -0.625 173.908 174.700 -0.279 0.000 0.982 137 T CA -0.108 61.871 62.100 -0.202 0.000 0.978 137 T CB 1.059 69.860 68.868 -0.112 0.000 0.930 137 T HN 0.442 8.682 8.240 -0.000 0.000 0.447 138 L N 2.005 123.007 121.223 -0.367 0.000 2.286 138 L HA 0.929 5.273 4.340 0.005 0.000 0.265 138 L C 0.684 177.441 176.870 -0.188 0.000 1.012 138 L CA -0.395 54.234 54.840 -0.352 0.000 0.818 138 L CB 1.845 43.602 42.059 -0.503 0.000 1.337 138 L HN 0.809 9.039 8.230 -0.000 0.000 0.438 139 G N -1.215 107.629 108.800 0.072 0.000 2.694 139 G HA2 0.598 4.561 3.960 0.005 0.000 0.290 139 G HA3 0.598 4.561 3.960 0.005 0.000 0.290 139 G C -2.163 173.020 174.900 0.471 0.000 1.386 139 G CA -0.448 44.825 45.100 0.289 0.000 0.872 139 G HN 0.651 8.941 8.290 -0.000 0.000 0.475 140 c N 0.601 119.456 118.600 0.425 0.000 2.608 140 c HA 0.733 5.306 4.570 0.005 0.000 0.325 140 c C -1.174 173.018 174.090 0.170 0.000 1.147 140 c CA -0.690 55.762 56.329 0.205 0.000 1.359 140 c CB 0.574 43.063 42.510 -0.034 0.000 1.912 140 c HN 0.809 9.039 8.230 -0.000 0.000 0.466 141 L N 6.640 127.952 121.223 0.149 0.000 2.305 141 L HA 0.763 5.106 4.340 0.005 0.000 0.284 141 L C -0.809 176.107 176.870 0.075 0.000 1.013 141 L CA 0.005 54.940 54.840 0.158 0.000 0.819 141 L CB 1.649 43.850 42.059 0.236 0.000 1.227 141 L HN 0.493 8.723 8.230 -0.000 0.000 0.417 142 V N 5.537 125.491 119.914 0.066 0.000 2.313 142 V HA 0.478 4.601 4.120 0.005 0.000 0.278 142 V C -0.124 176.052 176.094 0.137 0.000 1.017 142 V CA -0.638 61.666 62.300 0.008 0.000 0.823 142 V CB 1.050 32.853 31.823 -0.033 0.000 1.010 142 V HN 0.728 8.918 8.190 -0.000 0.000 0.443 143 K N 3.147 123.576 120.400 0.048 0.000 2.345 143 K HA 0.638 4.961 4.320 0.005 0.000 0.255 143 K C 0.508 177.168 176.600 0.101 0.000 0.934 143 K CA 0.064 56.415 56.287 0.107 0.000 0.801 143 K CB 1.651 34.240 32.500 0.148 0.000 1.137 143 K HN 0.938 9.188 8.250 -0.000 0.000 0.424 144 G N 3.773 112.622 108.800 0.083 0.000 2.368 144 G HA2 -0.259 3.704 3.960 0.005 0.000 0.290 144 G HA3 -0.259 3.704 3.960 0.005 0.000 0.290 144 G C -0.947 174.002 174.900 0.081 0.000 1.098 144 G CA 0.711 45.832 45.100 0.036 0.000 1.073 144 G HN 0.618 8.908 8.290 -0.000 0.000 0.511 145 Y N -1.499 118.814 120.300 0.021 0.000 2.524 145 Y HA 0.888 5.442 4.550 0.006 0.000 0.344 145 Y C -0.576 175.448 175.900 0.207 0.000 1.012 145 Y CA -3.031 55.040 58.100 -0.048 0.000 1.068 145 Y CB 1.683 39.906 38.460 -0.395 0.000 1.249 145 Y HN 0.548 8.828 8.280 -0.000 0.000 0.468 146 F N 3.794 123.855 119.950 0.186 0.000 2.650 146 F HA 0.672 5.201 4.527 0.005 0.000 0.310 146 F C -3.003 173.037 175.800 0.400 0.000 1.112 146 F CA -2.134 56.038 58.000 0.287 0.000 0.986 146 F CB 2.384 41.481 39.000 0.163 0.000 1.285 146 F HN 0.441 8.741 8.300 -0.000 0.000 0.440 147 P HA 0.222 4.642 4.420 -0.000 0.000 0.297 147 P C -1.074 176.176 177.300 -0.084 0.000 1.307 147 P CA -0.254 62.322 63.100 -0.874 0.000 0.773 147 P CB 0.939 32.032 31.700 -1.011 0.000 1.265 148 E N 0.136 120.160 120.200 -0.294 0.000 2.390 148 E HA 0.234 4.587 4.350 0.005 0.000 0.261 148 E C -1.754 174.788 176.600 -0.096 0.000 1.076 148 E CA -0.883 55.430 56.400 -0.145 0.000 0.905 148 E CB -0.336 29.132 29.700 -0.385 0.000 0.984 148 E HN 0.439 8.799 8.360 -0.000 0.000 0.427 149 P HA 0.334 4.754 4.420 -0.000 0.000 0.287 149 P C -0.987 176.329 177.300 0.026 0.000 1.292 149 P CA -0.692 62.404 63.100 -0.008 0.000 0.879 149 P CB 1.152 32.823 31.700 -0.048 0.000 1.214 150 V N 0.713 120.580 119.914 -0.078 0.000 2.547 150 V HA 0.487 4.610 4.120 0.005 0.000 0.299 150 V C 0.236 176.253 176.094 -0.129 0.000 1.040 150 V CA -0.298 61.878 62.300 -0.207 0.000 0.913 150 V CB 1.729 33.196 31.823 -0.592 0.000 0.992 150 V HN 0.850 9.040 8.190 -0.000 0.000 0.449 151 T N 3.698 118.181 114.554 -0.118 0.000 2.771 151 T HA 0.704 5.058 4.350 0.005 0.000 0.281 151 T C -0.795 173.831 174.700 -0.124 0.000 0.982 151 T CA -0.515 61.528 62.100 -0.096 0.000 0.978 151 T CB 1.251 70.074 68.868 -0.076 0.000 0.930 151 T HN 0.495 8.735 8.240 -0.000 0.000 0.447 152 L N 4.144 125.298 121.223 -0.116 0.000 2.343 152 L HA 0.692 5.036 4.340 0.005 0.000 0.278 152 L C -0.252 176.526 176.870 -0.154 0.000 0.996 152 L CA -0.318 54.419 54.840 -0.171 0.000 0.831 152 L CB 1.582 43.542 42.059 -0.165 0.000 1.232 152 L HN 1.101 9.331 8.230 -0.000 0.000 0.413 153 T N -0.537 113.897 114.554 -0.201 0.000 2.907 153 T HA 0.549 4.902 4.350 0.005 0.000 0.292 153 T C -1.087 173.484 174.700 -0.215 0.000 1.043 153 T CA -0.609 61.422 62.100 -0.114 0.000 1.003 153 T CB 1.194 70.037 68.868 -0.043 0.000 1.084 153 T HN 0.490 8.730 8.240 -0.000 0.000 0.483 154 W N 1.215 122.503 121.300 -0.021 0.000 2.469 154 W HA 0.573 5.235 4.660 0.004 0.000 0.320 154 W C -0.056 176.458 176.519 -0.008 0.000 1.086 154 W CA -0.586 56.750 57.345 -0.014 0.000 1.211 154 W CB 1.303 30.750 29.460 -0.021 0.000 1.298 154 W HN 0.521 8.701 8.180 -0.000 0.000 0.525 155 N N 2.097 120.944 118.700 0.245 0.000 2.707 155 N HA 0.215 4.958 4.740 0.005 0.000 0.235 155 N C -0.502 175.128 175.510 0.200 0.000 1.028 155 N CA -0.236 52.915 53.050 0.167 0.000 0.906 155 N CB 0.928 39.473 38.487 0.097 0.000 1.131 155 N HN 0.355 8.735 8.380 -0.000 0.000 0.509 156 S N -0.565 115.238 115.700 0.171 0.000 2.718 156 S HA 0.899 5.372 4.470 0.005 0.000 0.292 156 S C 0.565 175.223 174.600 0.096 0.000 1.125 156 S CA -0.764 57.514 58.200 0.130 0.000 1.013 156 S CB 1.642 64.883 63.200 0.068 0.000 1.192 156 S HN 0.288 8.598 8.310 -0.000 0.000 0.535 160 S N 0.727 116.420 115.700 -0.012 0.000 2.383 160 S HA 0.538 5.011 4.470 0.005 0.000 0.196 160 S C -0.585 173.988 174.600 -0.044 0.000 1.364 160 S CA -0.247 57.939 58.200 -0.024 0.000 1.212 160 S CB 0.799 63.988 63.200 -0.019 0.000 1.171 160 S HN 0.234 8.544 8.310 -0.000 0.000 0.456 161 S N 2.067 117.731 115.700 -0.059 0.000 2.536 161 S HA 0.891 5.364 4.470 0.005 0.000 0.298 161 S C 0.026 174.552 174.600 -0.123 0.000 1.083 161 S CA -0.860 57.280 58.200 -0.101 0.000 0.995 161 S CB 1.746 64.875 63.200 -0.118 0.000 1.058 161 S HN 0.665 8.975 8.310 -0.000 0.000 0.488 162 G N 1.056 109.759 108.800 -0.162 0.000 2.422 162 G HA2 0.576 4.539 3.960 0.005 0.000 0.317 162 G HA3 0.576 4.539 3.960 0.005 0.000 0.317 162 G C -1.110 173.617 174.900 -0.287 0.000 1.210 162 G CA -0.677 44.300 45.100 -0.204 0.000 0.930 162 G HN 0.782 9.072 8.290 -0.000 0.000 0.468 163 V N 3.658 123.376 119.914 -0.327 0.000 2.435 163 V HA 0.423 4.546 4.120 0.005 0.000 0.290 163 V C -0.603 175.232 176.094 -0.431 0.000 1.030 163 V CA -0.844 61.280 62.300 -0.293 0.000 0.881 163 V CB 1.537 33.296 31.823 -0.107 0.000 0.983 163 V HN 0.699 8.889 8.190 -0.000 0.000 0.445 164 H N 2.557 121.558 119.070 -0.115 0.000 2.792 164 H HA 0.346 4.906 4.556 0.006 0.000 0.298 164 H C -0.092 175.058 175.328 -0.295 0.000 1.042 164 H CA -0.186 55.695 56.048 -0.278 0.000 1.300 164 H CB 1.881 31.462 29.762 -0.301 0.000 1.431 164 H HN 0.666 8.946 8.280 -0.000 0.000 0.496 165 T N 3.576 118.022 114.554 -0.180 0.000 2.758 165 T HA 0.449 4.802 4.350 0.005 0.000 0.285 165 T C -0.326 174.269 174.700 -0.175 0.000 0.981 165 T CA -0.518 61.554 62.100 -0.048 0.000 0.965 165 T CB -0.057 68.865 68.868 0.089 0.000 0.927 165 T HN 0.125 8.365 8.240 -0.000 0.000 0.448 166 F N 5.545 125.569 119.950 0.124 0.000 2.385 166 F HA 0.461 4.992 4.527 0.006 0.000 0.336 166 F C -1.489 174.366 175.800 0.092 0.000 1.100 166 F CA -2.408 55.653 58.000 0.101 0.000 1.116 166 F CB 0.553 39.607 39.000 0.091 0.000 1.166 166 F HN 0.435 8.735 8.300 -0.000 0.000 0.511 167 P HA 0.056 4.476 4.420 -0.000 0.000 0.264 167 P C -0.567 176.849 177.300 0.194 0.000 1.183 167 P CA -0.210 62.992 63.100 0.170 0.000 0.763 167 P CB 0.308 32.091 31.700 0.139 0.000 0.807 168 A N 3.401 126.326 122.820 0.175 0.000 2.448 168 A HA 0.422 4.746 4.320 0.005 0.000 0.239 168 A C 0.235 177.954 177.584 0.224 0.000 1.080 168 A CA 0.212 52.377 52.037 0.213 0.000 0.779 168 A CB -0.527 18.585 19.000 0.187 0.000 1.026 168 A HN 0.576 8.726 8.150 -0.000 0.000 0.499 169 L N -0.899 120.462 121.223 0.230 0.000 2.469 169 L HA 0.697 5.040 4.340 0.005 0.000 0.256 169 L C -0.722 176.179 176.870 0.052 0.000 1.006 169 L CA -0.713 54.227 54.840 0.166 0.000 0.832 169 L CB 1.288 43.402 42.059 0.093 0.000 1.421 169 L HN 0.519 8.749 8.230 -0.000 0.000 0.410 170 L N 1.666 122.842 121.223 -0.080 0.000 2.331 170 L HA 0.559 4.903 4.340 0.005 0.000 0.278 170 L C 0.139 176.909 176.870 -0.166 0.000 1.106 170 L CA 0.313 54.986 54.840 -0.277 0.000 0.824 170 L CB 1.342 43.221 42.059 -0.301 0.000 1.142 170 L HN 0.783 9.013 8.230 -0.000 0.000 0.443 174 L N -0.333 120.729 121.223 -0.269 0.000 2.279 174 L HA 0.818 5.161 4.340 0.005 0.000 0.262 174 L C -0.795 175.820 176.870 -0.424 0.000 1.019 174 L CA -1.358 53.338 54.840 -0.240 0.000 0.823 174 L CB 2.019 44.012 42.059 -0.110 0.000 1.358 174 L HN 0.210 8.440 8.230 -0.000 0.000 0.432 175 Y N -0.658 119.431 120.300 -0.352 0.000 2.387 175 Y HA 0.518 5.072 4.550 0.006 0.000 0.330 175 Y C 0.141 175.734 175.900 -0.511 0.000 1.133 175 Y CA -0.385 57.395 58.100 -0.533 0.000 1.152 175 Y CB 2.112 40.016 38.460 -0.928 0.000 1.215 175 Y HN 0.361 8.641 8.280 -0.000 0.000 0.466 176 T N 4.354 118.893 114.554 -0.024 0.000 2.893 176 T HA 0.598 4.951 4.350 0.005 0.000 0.293 176 T C -1.513 173.319 174.700 0.219 0.000 1.027 176 T CA -0.703 61.470 62.100 0.122 0.000 0.988 176 T CB 1.296 70.214 68.868 0.083 0.000 1.043 176 T HN 0.565 8.805 8.240 -0.000 0.000 0.461 177 L N 2.262 123.658 121.223 0.288 0.000 2.393 177 L HA 0.890 5.234 4.340 0.005 0.000 0.260 177 L C -0.753 176.241 176.870 0.206 0.000 1.002 177 L CA -0.458 54.535 54.840 0.255 0.000 0.818 177 L CB 2.038 44.266 42.059 0.281 0.000 1.369 177 L HN 0.807 9.037 8.230 -0.000 0.000 0.412 178 S N 1.669 117.512 115.700 0.238 0.000 2.634 178 S HA 0.848 5.321 4.470 0.005 0.000 0.296 178 S C -0.807 174.044 174.600 0.418 0.000 1.104 178 S CA -0.677 57.677 58.200 0.256 0.000 0.920 178 S CB 1.799 65.093 63.200 0.157 0.000 1.111 178 S HN 0.756 9.066 8.310 -0.000 0.000 0.493 179 S N 0.566 116.518 115.700 0.420 0.000 2.536 179 S HA 0.737 5.210 4.470 0.005 0.000 0.271 179 S C -0.986 173.944 174.600 0.550 0.000 1.134 179 S CA -0.453 58.058 58.200 0.519 0.000 0.897 179 S CB 1.305 64.796 63.200 0.485 0.000 1.094 179 S HN 1.428 9.738 8.310 -0.000 0.000 0.473 180 S N 2.352 118.303 115.700 0.417 0.000 2.568 180 S HA 0.835 5.308 4.470 0.005 0.000 0.302 180 S C -0.546 173.903 174.600 -0.251 0.000 1.082 180 S CA -0.659 57.623 58.200 0.137 0.000 1.009 180 S CB 1.697 65.002 63.200 0.175 0.000 1.069 180 S HN 0.683 8.993 8.310 -0.000 0.000 0.500 181 S N 0.705 115.990 115.700 -0.693 0.000 2.521 181 S HA 0.703 5.177 4.470 0.005 0.000 0.295 181 S C -1.144 173.156 174.600 -0.501 0.000 1.098 181 S CA -0.484 57.194 58.200 -0.870 0.000 0.999 181 S CB 1.337 63.545 63.200 -1.653 0.000 1.034 181 S HN 0.815 9.125 8.310 -0.000 0.000 0.483 182 T N 4.026 118.384 114.554 -0.327 0.000 2.815 182 T HA 0.568 4.921 4.350 0.005 0.000 0.289 182 T C -0.125 174.467 174.700 -0.180 0.000 1.000 182 T CA -0.550 61.424 62.100 -0.210 0.000 0.958 182 T CB 0.866 69.668 68.868 -0.109 0.000 0.944 182 T HN 0.687 8.927 8.240 -0.000 0.000 0.442 183 V N 0.813 120.630 119.914 -0.162 0.000 3.166 183 V HA 0.875 4.999 4.120 0.005 0.000 0.317 183 V C 0.678 176.746 176.094 -0.044 0.000 1.136 183 V CA -1.178 61.065 62.300 -0.095 0.000 1.035 183 V CB 1.185 32.961 31.823 -0.079 0.000 1.110 183 V HN 0.858 9.048 8.190 -0.000 0.000 0.450 184 T N -1.077 113.470 114.554 -0.012 0.000 2.802 184 T HA 0.420 4.773 4.350 0.005 0.000 0.305 184 T C 1.474 176.199 174.700 0.043 0.000 1.053 184 T CA 0.571 62.678 62.100 0.011 0.000 1.058 184 T CB 0.523 69.400 68.868 0.016 0.000 0.988 184 T HN 1.657 9.897 8.240 -0.000 0.000 0.539 185 S N 1.229 116.958 115.700 0.048 0.000 2.368 185 S HA 0.073 4.546 4.470 0.005 0.000 0.225 185 S C 2.620 177.274 174.600 0.090 0.000 1.030 185 S CA 1.892 60.138 58.200 0.077 0.000 0.999 185 S CB -1.435 61.799 63.200 0.057 0.000 0.844 185 S HN 1.230 9.540 8.310 -0.000 0.000 0.459 186 S N 0.707 116.445 115.700 0.062 0.000 2.469 186 S HA 0.040 4.513 4.470 0.005 0.000 0.238 186 S C 2.034 176.676 174.600 0.070 0.000 0.998 186 S CA 1.938 60.170 58.200 0.053 0.000 0.957 186 S CB -0.842 62.379 63.200 0.035 0.000 0.764 186 S HN 0.539 8.849 8.310 -0.000 0.000 0.514 187 T N -0.969 113.645 114.554 0.099 0.000 2.904 187 T HA 0.088 4.441 4.350 0.005 0.000 0.267 187 T C 0.052 174.885 174.700 0.221 0.000 1.059 187 T CA 0.539 62.717 62.100 0.128 0.000 1.137 187 T CB -0.062 68.873 68.868 0.112 0.000 0.879 187 T HN 0.649 8.889 8.240 -0.000 0.000 0.467 188 W N 1.410 122.712 121.300 0.003 0.000 3.022 188 W HA 0.455 5.118 4.660 0.006 0.000 0.335 188 W C -2.432 174.092 176.519 0.009 0.000 1.133 188 W CA -2.130 55.220 57.345 0.009 0.000 1.219 188 W CB 1.758 31.222 29.460 0.007 0.000 1.409 188 W HN -0.198 7.982 8.180 -0.000 0.000 0.507 189 P HA -0.051 4.369 4.420 -0.000 0.000 0.234 189 P C 1.595 178.626 177.300 -0.449 0.000 1.175 189 P CA 1.549 64.005 63.100 -1.073 0.000 0.801 189 P CB 0.205 31.235 31.700 -1.117 0.000 0.891 190 S N 0.196 115.764 115.700 -0.220 0.000 2.451 190 S HA -0.274 4.199 4.470 0.005 0.000 0.272 190 S C 1.029 175.591 174.600 -0.064 0.000 1.136 190 S CA 1.745 59.880 58.200 -0.109 0.000 1.209 190 S CB -2.102 61.068 63.200 -0.050 0.000 1.130 190 S HN 0.446 8.756 8.310 -0.000 0.000 0.440 191 Q N 0.245 120.039 119.800 -0.010 0.000 2.309 191 Q HA 0.758 5.101 4.340 0.005 0.000 0.264 191 Q C -0.402 175.662 176.000 0.107 0.000 1.008 191 Q CA -0.804 55.023 55.803 0.041 0.000 0.853 191 Q CB 1.372 30.143 28.738 0.056 0.000 1.314 191 Q HN 0.364 8.634 8.270 -0.000 0.000 0.448 192 S N 1.111 116.874 115.700 0.106 0.000 2.568 192 S HA 0.402 4.875 4.470 0.005 0.000 0.282 192 S C 0.133 174.870 174.600 0.227 0.000 1.338 192 S CA -0.251 58.045 58.200 0.162 0.000 1.045 192 S CB -0.119 63.149 63.200 0.113 0.000 0.873 192 S HN 0.636 8.946 8.310 -0.000 0.000 0.516 193 I N 2.407 123.162 120.570 0.308 0.000 2.447 193 I HA 0.283 4.456 4.170 0.005 0.000 0.287 193 I C -0.456 175.833 176.117 0.286 0.000 1.023 193 I CA -0.318 61.160 61.300 0.296 0.000 1.083 193 I CB 2.179 40.343 38.000 0.273 0.000 1.245 193 I HN 0.443 8.653 8.210 -0.000 0.000 0.434 194 T N 4.467 119.169 114.554 0.246 0.000 2.812 194 T HA 0.178 4.531 4.350 0.005 0.000 0.282 194 T C -0.644 174.050 174.700 -0.009 0.000 0.990 194 T CA -0.326 61.850 62.100 0.126 0.000 0.960 194 T CB 1.483 70.392 68.868 0.068 0.000 0.948 194 T HN 0.625 8.865 8.240 -0.000 0.000 0.438 195 c N 5.314 123.768 118.600 -0.242 0.000 2.482 195 c HA 0.436 5.009 4.570 0.005 0.000 0.378 195 c C -0.199 173.653 174.090 -0.398 0.000 1.284 195 c CA -0.784 55.126 56.329 -0.699 0.000 1.826 195 c CB -1.488 40.581 42.510 -0.734 0.000 2.473 195 c HN 0.742 8.972 8.230 -0.000 0.000 0.562 196 N N 4.906 123.370 118.700 -0.393 0.000 2.444 196 N HA 0.501 5.245 4.740 0.005 0.000 0.262 196 N C -0.926 174.443 175.510 -0.235 0.000 0.974 196 N CA -0.234 52.676 53.050 -0.234 0.000 0.933 196 N CB 1.752 40.148 38.487 -0.152 0.000 1.137 196 N HN 0.473 8.853 8.380 -0.000 0.000 0.498 197 V N 0.797 120.596 119.914 -0.193 0.000 2.487 197 V HA 0.790 4.913 4.120 0.005 0.000 0.298 197 V C -0.232 175.781 176.094 -0.135 0.000 1.028 197 V CA -0.993 61.196 62.300 -0.184 0.000 0.860 197 V CB 1.505 33.204 31.823 -0.207 0.000 0.991 197 V HN 0.739 8.929 8.190 -0.000 0.000 0.427 198 A N 3.153 125.899 122.820 -0.123 0.000 2.318 198 A HA 0.658 4.981 4.320 0.005 0.000 0.317 198 A C -0.559 176.988 177.584 -0.061 0.000 1.159 198 A CA -0.448 51.538 52.037 -0.085 0.000 0.799 198 A CB 0.563 19.515 19.000 -0.081 0.000 1.194 198 A HN 0.980 9.130 8.150 -0.000 0.000 0.479 199 H N 5.020 123.995 119.070 -0.159 0.000 2.645 199 H HA 0.267 4.827 4.556 0.005 0.000 0.257 199 H C -2.221 173.050 175.328 -0.094 0.000 1.269 199 H CA -1.867 54.084 56.048 -0.161 0.000 1.409 199 H CB 1.357 31.006 29.762 -0.189 0.000 1.434 199 H HN 0.382 8.662 8.280 -0.000 0.000 0.505 200 P HA -0.195 4.225 4.420 -0.000 0.000 0.216 200 P C 1.463 178.594 177.300 -0.281 0.000 1.154 200 P CA 2.005 64.973 63.100 -0.220 0.000 0.865 200 P CB 0.174 31.769 31.700 -0.174 0.000 0.789 201 A N -0.126 122.406 122.820 -0.481 0.000 1.978 201 A HA -0.188 4.136 4.320 0.005 0.000 0.220 201 A C 2.111 179.576 177.584 -0.198 0.000 1.170 201 A CA 2.330 54.159 52.037 -0.347 0.000 0.636 201 A CB -1.419 17.358 19.000 -0.371 0.000 0.810 201 A HN 0.382 8.532 8.150 -0.000 0.000 0.448 202 S N -1.832 113.753 115.700 -0.191 0.000 2.572 202 S HA 0.294 4.767 4.470 0.005 0.000 0.228 202 S C 0.506 175.110 174.600 0.007 0.000 0.963 202 S CA 0.670 58.887 58.200 0.030 0.000 0.939 202 S CB -0.363 62.972 63.200 0.226 0.000 0.804 202 S HN 0.952 9.262 8.310 -0.000 0.000 0.480 203 S N 0.254 115.926 115.700 -0.048 0.000 3.698 203 S HA -0.136 4.337 4.470 0.005 0.000 0.338 203 S C 0.053 174.643 174.600 -0.017 0.000 1.089 203 S CA 0.853 59.032 58.200 -0.035 0.000 0.991 203 S CB -2.578 60.611 63.200 -0.019 0.000 0.909 203 S HN 0.705 9.015 8.310 -0.000 0.000 0.485 204 T N 1.720 116.268 114.554 -0.010 0.000 2.767 204 T HA 0.584 4.937 4.350 0.005 0.000 0.284 204 T C 0.012 174.697 174.700 -0.024 0.000 0.973 204 T CA -0.482 61.620 62.100 0.003 0.000 0.996 204 T CB 1.314 70.212 68.868 0.049 0.000 0.927 204 T HN 0.300 8.540 8.240 -0.000 0.000 0.456 205 K N 3.509 123.889 120.400 -0.033 0.000 2.764 205 K HA 0.442 4.765 4.320 0.005 0.000 0.239 205 K C -1.030 175.541 176.600 -0.048 0.000 1.048 205 K CA -0.682 55.577 56.287 -0.046 0.000 1.057 205 K CB 0.406 32.882 32.500 -0.041 0.000 1.251 205 K HN 0.441 8.691 8.250 -0.000 0.000 0.524 206 V N -0.358 119.517 119.914 -0.065 0.000 2.483 206 V HA 0.692 4.815 4.120 0.005 0.000 0.295 206 V C -0.889 175.159 176.094 -0.077 0.000 1.035 206 V CA -0.458 61.804 62.300 -0.064 0.000 0.896 206 V CB 1.821 33.602 31.823 -0.071 0.000 0.986 206 V HN 0.598 8.788 8.190 -0.000 0.000 0.447 207 D N 3.032 123.399 120.400 -0.055 0.000 2.472 207 D HA 0.438 5.081 4.640 0.005 0.000 0.234 207 D C -0.529 175.750 176.300 -0.036 0.000 1.088 207 D CA -0.165 53.802 54.000 -0.054 0.000 0.882 207 D CB 1.257 42.039 40.800 -0.030 0.000 1.037 207 D HN 0.654 9.024 8.370 -0.000 0.000 0.520 208 K N 2.217 122.583 120.400 -0.057 0.000 2.267 208 K HA 0.223 4.547 4.320 0.005 0.000 0.282 208 K C -0.279 176.334 176.600 0.023 0.000 1.078 208 K CA -0.504 55.771 56.287 -0.021 0.000 0.903 208 K CB 0.444 32.918 32.500 -0.043 0.000 1.111 208 K HN 0.124 8.374 8.250 -0.000 0.000 0.475 209 K N 3.869 124.307 120.400 0.063 0.000 2.350 209 K HA 0.174 4.497 4.320 0.005 0.000 0.279 209 K C -0.199 176.498 176.600 0.160 0.000 1.027 209 K CA -0.245 56.112 56.287 0.117 0.000 0.969 209 K CB 0.707 33.272 32.500 0.108 0.000 0.954 209 K HN 0.492 8.742 8.250 -0.000 0.000 0.474 210 I N 2.703 123.416 120.570 0.239 0.000 2.322 210 I HA 0.041 4.214 4.170 0.005 0.000 0.292 210 I C 0.499 176.844 176.117 0.379 0.000 1.060 210 I CA 0.057 61.530 61.300 0.288 0.000 1.309 210 I CB 0.593 38.759 38.000 0.276 0.000 1.415 210 I HN 0.486 8.696 8.210 -0.000 0.000 0.492 211 E N 8.237 128.605 120.200 0.280 0.000 2.146 211 E HA 0.356 4.709 4.350 0.005 0.000 0.282 211 E C -2.197 174.562 176.600 0.266 0.000 0.989 211 E CA -1.945 54.587 56.400 0.221 0.000 0.799 211 E CB 1.029 30.806 29.700 0.129 0.000 1.088 211 E HN 0.297 8.657 8.360 -0.000 0.000 0.397 212 P HA -0.004 4.416 4.420 -0.000 0.000 0.269 212 P C -0.498 176.874 177.300 0.121 0.000 1.211 212 P CA 0.214 63.399 63.100 0.142 0.000 0.781 212 P CB 0.610 32.139 31.700 -0.285 0.000 0.877 213 R N 0.000 120.588 120.500 0.146 0.000 2.786 213 R HA 0.000 4.343 4.340 0.005 0.000 0.208 213 R CA 0.000 56.156 56.100 0.092 0.000 0.921 213 R CB 0.000 30.362 30.300 0.104 0.000 0.687 213 R HN 0.000 8.270 8.270 -0.000 0.000 0.535