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 1ddb_1_A DATA FIRST_RESID 1 DATA SEQUENCE MDSEVSNGSG LGAKHITDLL VFGFLQSSGC TRQELEVLGR ELPVQAYWEA DATA SEQUENCE DLEDELQTDG SQASRSFNQG RIEPDSESQE EIIHNIARHL AQIGDEMDHN DATA SEQUENCE IQPTLVRQLA AQFMNGSLSE EDKRNCLAKA LDEVKTAFPR DMENDKAMLI DATA SEQUENCE MTMLLAKKVA SHAPSLLRDV FHTTVNFINQ NLFSYVRNLV RNEMD 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 M HA 0.000 4.480 4.480 0.001 0.000 0.227 1 M C 0.000 176.300 176.300 0.001 0.000 1.140 1 M CA 0.000 55.300 55.300 0.001 0.000 0.988 1 M CB 0.000 32.600 32.600 0.001 0.000 1.302 2 D N 2.145 122.545 120.400 0.001 0.000 2.383 2 D HA 0.260 4.900 4.640 0.001 0.000 0.186 2 D C -2.369 173.931 176.300 0.000 0.000 1.030 2 D CA 0.874 54.875 54.000 0.000 0.000 0.880 2 D CB 1.150 41.950 40.800 0.000 0.000 3.531 2 D HN 0.316 8.687 8.370 0.001 0.000 0.473 3 S N 3.284 118.985 115.700 0.000 0.000 2.639 3 S HA 0.184 4.654 4.470 -0.000 0.000 0.319 3 S C -2.243 172.358 174.600 0.001 0.000 0.991 3 S CA 0.883 59.083 58.200 0.000 0.000 0.858 3 S CB 0.495 63.696 63.200 0.000 0.000 1.068 3 S HN 0.425 8.736 8.310 0.001 0.000 0.458 4 E N 2.192 122.392 120.200 0.000 0.000 3.287 4 E HA 0.205 4.556 4.350 0.001 0.000 0.355 4 E C -2.104 174.496 176.600 -0.001 0.000 1.027 4 E CA 0.034 56.434 56.400 0.000 0.000 0.840 4 E CB 0.824 30.524 29.700 0.001 0.000 1.273 4 E HN 0.094 8.454 8.360 -0.001 0.000 0.458 5 V N 1.945 121.859 119.914 -0.001 0.000 3.098 5 V HA 0.639 4.758 4.120 -0.002 0.000 0.294 5 V C -2.271 173.821 176.094 -0.003 0.000 1.351 5 V CA -0.206 62.093 62.300 -0.002 0.000 0.999 5 V CB 2.624 34.445 31.823 -0.003 0.000 1.104 5 V HN 0.724 8.913 8.190 -0.001 0.000 0.438 6 S N 4.403 120.100 115.700 -0.004 0.000 2.720 6 S HA 0.434 4.900 4.470 -0.007 0.000 0.318 6 S C -2.241 172.356 174.600 -0.005 0.000 0.872 6 S CA -0.403 57.794 58.200 -0.005 0.000 0.794 6 S CB 0.271 63.469 63.200 -0.003 0.000 1.009 6 S HN 0.357 8.665 8.310 -0.004 0.000 0.491 7 N N 1.778 120.473 118.700 -0.008 0.000 4.046 7 N HA 0.170 4.906 4.740 -0.006 0.000 0.217 7 N C -1.928 173.576 175.510 -0.011 0.000 1.317 7 N CA 0.670 53.716 53.050 -0.008 0.000 0.871 7 N CB 1.059 39.543 38.487 -0.006 0.000 1.461 7 N HN 0.189 8.563 8.380 -0.010 0.000 0.489 8 G N 1.336 110.130 108.800 -0.010 0.000 2.414 8 G HA2 -0.140 3.813 3.960 -0.012 0.000 0.213 8 G HA3 -0.140 3.810 3.960 -0.016 0.000 0.213 8 G C -1.754 173.139 174.900 -0.012 0.000 1.444 8 G CA -0.266 44.827 45.100 -0.013 0.000 1.076 8 G HN 0.130 8.415 8.290 -0.008 0.000 0.638 9 S N 1.125 116.820 115.700 -0.009 0.000 2.607 9 S HA 0.162 4.628 4.470 -0.006 0.000 0.273 9 S C -0.306 174.291 174.600 -0.005 0.000 1.148 9 S CA 0.019 58.216 58.200 -0.005 0.000 0.833 9 S CB 1.136 64.337 63.200 0.001 0.000 1.130 9 S HN 0.043 8.348 8.310 -0.009 0.000 0.470 10 G N 2.549 111.348 108.800 -0.002 0.000 2.373 10 G HA2 -0.129 3.829 3.960 -0.004 0.000 0.634 10 G HA3 -0.129 3.827 3.960 -0.008 0.000 0.634 10 G C -2.287 172.610 174.900 -0.006 0.000 1.267 10 G CA -0.746 44.351 45.100 -0.005 0.000 1.008 10 G HN 0.003 8.295 8.290 0.004 0.000 0.497 11 L N -1.446 119.771 121.223 -0.010 0.000 0.626 11 L HA -0.287 4.045 4.340 -0.013 0.000 0.357 11 L C 0.243 177.109 176.870 -0.006 0.000 1.004 11 L CA 0.198 55.032 54.840 -0.010 0.000 1.223 11 L CB -0.404 41.648 42.059 -0.012 0.000 0.120 11 L HN 0.316 8.539 8.230 -0.011 0.000 0.114 12 G N 0.973 109.768 108.800 -0.009 0.000 2.341 12 G HA2 -0.205 3.842 3.960 0.003 0.000 0.196 12 G HA3 -0.205 4.001 3.960 0.007 -0.241 0.196 12 G C -2.113 172.770 174.900 -0.029 0.000 1.231 12 G CA -0.557 44.540 45.100 -0.005 0.000 1.155 12 G HN 0.232 8.514 8.290 -0.013 0.000 0.529 13 A N -1.475 121.324 122.820 -0.035 0.000 2.434 13 A HA -0.214 4.060 4.320 -0.077 0.000 0.686 13 A C -1.393 176.114 177.584 -0.130 0.000 0.139 13 A CA 0.866 52.854 52.037 -0.081 0.000 0.029 13 A CB -0.163 18.786 19.000 -0.086 0.000 3.971 13 A HN 0.080 8.451 8.150 -0.012 -0.228 0.548 14 K N 1.995 122.288 120.400 -0.179 0.000 2.598 14 K HA 0.164 4.273 4.320 -0.351 0.000 0.271 14 K C -0.180 176.265 176.600 -0.258 0.000 0.947 14 K CA -0.737 55.395 56.287 -0.258 0.000 0.854 14 K CB 2.609 34.996 32.500 -0.188 0.000 1.401 14 K HN -0.255 7.902 8.250 -0.154 0.000 0.415 15 H N 2.217 121.210 119.070 -0.128 0.000 2.293 15 H HA -0.296 4.219 4.556 -0.068 0.000 0.300 15 H C 2.277 177.484 175.328 -0.202 0.000 1.082 15 H CA 3.672 59.655 56.048 -0.109 0.000 1.308 15 H CB 0.114 29.844 29.762 -0.053 0.000 1.375 15 H HN 0.413 8.442 8.280 -0.418 0.000 0.495 16 I N -0.948 119.460 120.570 -0.270 0.000 2.361 16 I HA -0.302 3.601 4.170 -0.446 0.000 0.251 16 I C 1.102 176.880 176.117 -0.565 0.000 1.133 16 I CA 2.292 63.222 61.300 -0.616 0.000 1.413 16 I CB -0.808 36.482 38.000 -1.183 0.000 1.073 16 I HN -0.080 7.967 8.210 -0.271 0.000 0.424 17 T N 0.673 114.968 114.554 -0.432 0.000 2.580 17 T HA -0.406 3.937 4.350 -0.012 0.000 0.265 17 T C 2.666 177.330 174.700 -0.060 0.000 1.063 17 T CA 4.663 66.677 62.100 -0.143 0.000 1.170 17 T CB -0.895 67.925 68.868 -0.080 0.000 0.863 17 T HN -0.322 7.560 8.240 -0.413 0.110 0.418 18 D N 2.102 122.461 120.400 -0.068 0.000 2.158 18 D HA -0.283 4.331 4.640 -0.044 0.000 0.197 18 D C 2.074 178.378 176.300 0.006 0.000 0.995 18 D CA 3.625 57.603 54.000 -0.037 0.000 0.846 18 D CB -0.526 40.249 40.800 -0.042 0.000 0.941 18 D HN -0.518 7.800 8.370 -0.087 0.000 0.456 19 L N -1.658 119.560 121.223 -0.008 0.000 2.127 19 L HA -0.404 4.013 4.340 0.129 0.000 0.211 19 L C 1.855 178.754 176.870 0.048 0.000 1.089 19 L CA 2.925 57.781 54.840 0.027 0.000 0.757 19 L CB -0.111 41.877 42.059 -0.119 0.000 0.899 19 L HN -0.497 7.591 8.230 -0.068 0.102 0.434 20 L N -1.060 120.190 121.223 0.046 0.000 2.056 20 L HA -0.252 4.173 4.340 0.143 0.000 0.207 20 L C 1.813 178.687 176.870 0.007 0.000 1.078 20 L CA 3.394 58.295 54.840 0.102 0.000 0.749 20 L CB -1.332 40.837 42.059 0.183 0.000 0.901 20 L HN 0.368 8.457 8.230 0.018 0.152 0.433 21 V N 1.050 120.883 119.914 -0.136 0.000 2.223 21 V HA -0.349 3.388 4.120 -0.640 0.000 0.244 21 V C 2.113 177.738 176.094 -0.782 0.000 1.045 21 V CA 3.875 65.848 62.300 -0.545 0.000 1.000 21 V CB -0.224 31.347 31.823 -0.420 0.000 0.635 21 V HN -0.848 7.202 8.190 -0.077 0.094 0.445 22 F N -0.566 119.144 119.950 -0.399 0.000 2.216 22 F HA -0.135 4.567 4.527 0.290 0.000 0.300 22 F C 2.264 178.109 175.800 0.075 0.000 1.085 22 F CA 1.078 59.082 58.000 0.006 0.000 1.326 22 F CB -0.720 38.356 39.000 0.127 0.000 1.027 22 F HN 0.185 8.524 8.300 0.065 0.000 0.497 23 G N -2.033 106.860 108.800 0.155 0.000 2.394 23 G HA2 -0.315 3.666 3.960 0.035 0.000 0.215 23 G HA3 -0.315 3.799 3.960 0.100 -0.094 0.215 23 G C 1.666 176.648 174.900 0.137 0.000 1.165 23 G CA 1.427 46.587 45.100 0.099 0.000 0.784 23 G HN 0.467 8.617 8.290 0.128 0.216 0.535 24 F N 4.648 124.569 119.950 -0.049 0.000 2.043 24 F HA -0.351 4.433 4.527 0.001 -0.256 0.297 24 F C 1.051 176.879 175.800 0.046 0.000 1.121 24 F CA 2.208 60.186 58.000 -0.036 0.000 1.199 24 F CB 0.131 39.049 39.000 -0.137 0.000 0.968 24 F HN 0.233 8.423 8.300 0.176 0.216 0.478 25 L N -2.077 119.538 121.223 0.654 0.000 2.046 25 L HA -0.216 4.654 4.340 0.553 -0.198 0.208 25 L C 2.016 179.046 176.870 0.267 0.000 1.077 25 L CA 2.426 57.633 54.840 0.612 0.000 0.747 25 L CB -0.444 42.221 42.059 1.010 0.000 0.896 25 L HN -0.627 7.940 8.230 0.563 0.000 0.432 26 Q N -2.810 117.124 119.800 0.223 0.000 2.217 26 Q HA -0.259 4.141 4.340 0.101 0.000 0.209 26 Q C 0.948 176.968 176.000 0.033 0.000 0.988 26 Q CA 2.362 58.217 55.803 0.087 0.000 0.878 26 Q CB 0.185 28.922 28.738 -0.001 0.000 0.909 26 Q HN -0.492 7.875 8.270 0.276 0.068 0.424 27 S N -2.766 112.929 115.700 -0.008 0.000 2.341 27 S HA -0.073 4.385 4.470 -0.020 0.000 0.216 27 S C 0.610 175.159 174.600 -0.085 0.000 1.034 27 S CA 1.993 60.160 58.200 -0.055 0.000 0.964 27 S CB 1.298 64.445 63.200 -0.090 0.000 0.882 27 S HN -0.284 7.885 8.310 -0.011 0.135 0.469 28 S N -0.149 115.442 115.700 -0.182 0.000 3.939 28 S HA 0.052 4.486 4.470 -0.060 0.000 0.302 28 S C -1.394 173.155 174.600 -0.085 0.000 1.108 28 S CA -0.529 57.581 58.200 -0.151 0.000 1.225 28 S CB 0.832 63.907 63.200 -0.210 0.000 1.467 28 S HN -0.135 7.991 8.310 -0.307 0.000 0.735 29 G N 0.870 109.643 108.800 -0.045 0.000 2.498 29 G HA2 -0.328 3.800 3.960 0.280 0.000 0.245 29 G HA3 -0.328 3.956 3.960 0.540 0.000 0.245 29 G C 0.046 175.063 174.900 0.196 0.000 1.204 29 G CA 0.302 45.546 45.100 0.240 0.000 0.933 29 G HN 0.119 8.356 8.290 -0.090 0.000 0.574 30 C N 3.155 122.603 119.300 0.246 0.000 9.089 30 C HA -0.136 4.396 4.460 0.120 0.000 0.265 30 C C -0.913 174.147 174.990 0.116 0.000 1.257 30 C CA 1.590 60.697 59.018 0.149 0.000 2.085 30 C CB -0.489 27.323 27.740 0.121 0.000 1.589 30 C HN 0.115 8.556 8.230 0.350 0.000 0.185 31 T N -2.739 111.880 114.554 0.108 0.000 2.812 31 T HA 0.246 4.646 4.350 0.083 0.000 0.294 31 T C -0.139 174.625 174.700 0.107 0.000 1.159 31 T CA -0.914 61.239 62.100 0.088 0.000 1.008 31 T CB 1.706 70.609 68.868 0.057 0.000 1.289 31 T HN -0.457 7.846 8.240 0.106 0.000 0.514 32 R N 1.485 122.039 120.500 0.091 0.000 2.115 32 R HA -0.489 3.930 4.340 0.132 0.000 0.239 32 R C 1.746 178.114 176.300 0.114 0.000 1.133 32 R CA 4.247 60.410 56.100 0.104 0.000 0.935 32 R CB -0.736 29.605 30.300 0.069 0.000 0.853 32 R HN 0.460 8.772 8.270 0.070 0.000 0.433 33 Q N -1.209 118.635 119.800 0.074 0.000 2.248 33 Q HA -0.310 4.070 4.340 0.067 0.000 0.208 33 Q C 2.362 178.386 176.000 0.040 0.000 0.984 33 Q CA 3.343 59.180 55.803 0.057 0.000 0.875 33 Q CB -0.611 28.147 28.738 0.033 0.000 0.910 33 Q HN 0.462 8.767 8.270 0.059 0.000 0.433 34 E N 0.356 120.580 120.200 0.040 0.000 2.015 34 E HA -0.292 4.014 4.350 -0.074 0.000 0.191 34 E C 2.070 178.615 176.600 -0.091 0.000 0.991 34 E CA 2.937 59.318 56.400 -0.032 0.000 0.802 34 E CB -0.358 29.347 29.700 0.008 0.000 0.759 34 E HN -0.347 7.883 8.360 0.065 0.169 0.447 35 L N -2.146 119.162 121.223 0.141 0.000 2.137 35 L HA -0.382 4.224 4.340 0.444 0.000 0.213 35 L C 2.085 179.174 176.870 0.365 0.000 1.085 35 L CA 3.630 58.741 54.840 0.451 0.000 0.760 35 L CB -0.569 41.903 42.059 0.688 0.000 0.893 35 L HN -0.363 7.994 8.230 0.211 0.000 0.434 36 E N -0.831 119.519 120.200 0.251 0.000 2.047 36 E HA -0.336 4.203 4.350 0.315 0.000 0.191 36 E C 2.269 178.816 176.600 -0.088 0.000 0.987 36 E CA 3.268 59.761 56.400 0.154 0.000 0.799 36 E CB 0.043 29.829 29.700 0.142 0.000 0.752 36 E HN -0.380 7.983 8.360 0.199 0.117 0.449 37 V N 0.748 120.586 119.914 -0.128 0.000 2.244 37 V HA -0.401 3.651 4.120 -0.113 0.000 0.244 37 V C 1.025 176.935 176.094 -0.307 0.000 1.042 37 V CA 2.935 65.129 62.300 -0.175 0.000 1.006 37 V CB 0.167 31.902 31.823 -0.147 0.000 0.641 37 V HN -0.348 7.698 8.190 -0.094 0.087 0.446 38 L N -3.403 117.474 121.223 -0.575 0.000 2.027 38 L HA -0.223 3.832 4.340 -0.474 0.000 0.206 38 L C 2.140 178.741 176.870 -0.448 0.000 1.074 38 L CA 2.049 56.373 54.840 -0.860 0.000 0.745 38 L CB -0.560 40.101 42.059 -2.329 0.000 0.898 38 L HN -0.020 7.727 8.230 -0.634 0.101 0.433 39 G N -2.404 106.117 108.800 -0.465 0.000 2.440 39 G HA2 -0.302 3.469 3.960 -0.313 0.000 0.218 39 G HA3 -0.302 2.164 3.960 -2.685 -0.118 0.218 39 G C -0.629 173.707 174.900 -0.941 0.000 1.154 39 G CA 0.320 44.829 45.100 -0.985 0.000 0.767 39 G HN 0.340 8.170 8.290 -0.522 0.147 0.552 40 R N 3.113 123.269 120.500 -0.574 0.000 2.723 40 R HA -0.331 3.915 4.340 -0.156 0.000 0.358 40 R C -1.038 175.167 176.300 -0.158 0.000 0.966 40 R CA 1.160 57.122 56.100 -0.229 0.000 1.022 40 R CB -1.134 29.117 30.300 -0.082 0.000 0.945 40 R HN -0.108 7.737 8.270 -0.478 0.138 0.420 41 E N 3.236 123.342 120.200 -0.157 0.000 2.290 41 E HA 0.151 4.457 4.350 -0.072 0.000 0.274 41 E C -1.282 175.286 176.600 -0.053 0.000 0.889 41 E CA -1.274 55.054 56.400 -0.119 0.000 0.760 41 E CB 3.004 32.600 29.700 -0.173 0.000 1.206 41 E HN -0.209 8.033 8.360 -0.197 0.000 0.419 42 L N 5.124 126.349 121.223 0.003 0.000 2.264 42 L HA 0.402 4.815 4.340 0.122 0.000 0.287 42 L C -1.266 175.607 176.870 0.006 0.000 1.039 42 L CA -2.650 52.215 54.840 0.041 0.000 0.829 42 L CB -0.919 41.151 42.059 0.019 0.000 1.211 42 L HN 0.309 8.532 8.230 -0.012 0.000 0.427 43 P HA 0.067 4.484 4.420 -0.006 0.000 0.318 43 P C -0.818 176.498 177.300 0.026 0.000 1.309 43 P CA -1.314 61.800 63.100 0.024 0.000 0.736 43 P CB 0.780 32.519 31.700 0.064 0.000 1.440 44 V N 0.695 120.629 119.914 0.032 0.000 2.276 44 V HA -0.025 4.099 4.120 0.006 0.000 0.249 44 V C -0.681 175.433 176.094 0.034 0.000 1.160 44 V CA 1.155 63.468 62.300 0.022 0.000 1.042 44 V CB -2.896 28.936 31.823 0.016 0.000 1.224 44 V HN 0.279 8.494 8.190 0.041 0.000 0.496 45 Q N 6.231 126.041 119.800 0.017 0.000 7.935 45 Q HA -0.006 4.333 4.340 -0.001 0.000 0.369 45 Q C -1.602 174.382 176.000 -0.028 0.000 0.942 45 Q CA 0.221 56.029 55.803 0.008 0.000 0.542 45 Q CB 1.139 29.900 28.738 0.039 0.000 0.166 45 Q HN 0.125 8.396 8.270 0.002 0.000 0.897 46 A N -1.032 121.778 122.820 -0.016 0.000 2.012 46 A HA 0.015 4.236 4.320 -0.165 0.000 0.237 46 A C -1.851 175.699 177.584 -0.058 0.000 1.940 46 A CA -0.227 51.739 52.037 -0.119 0.000 1.903 46 A CB 0.095 18.987 19.000 -0.179 0.000 0.745 46 A HN -0.235 7.942 8.150 0.045 0.000 0.926 47 Y N -0.034 120.254 120.300 -0.019 0.000 2.844 47 Y HA 0.096 4.747 4.550 0.169 0.000 0.350 47 Y C -0.903 175.295 175.900 0.497 0.000 1.277 47 Y CA 2.190 60.407 58.100 0.195 0.000 1.478 47 Y CB 0.425 39.038 38.460 0.255 0.000 1.346 47 Y HN 0.398 8.813 8.280 0.226 0.000 0.660 48 W N 3.389 124.053 121.300 -1.061 0.000 3.851 48 W HA -0.053 4.029 4.660 -0.965 0.000 0.282 48 W C -1.581 174.585 176.519 -0.588 0.000 1.149 48 W CA -0.299 56.565 57.345 -0.802 0.000 1.131 48 W CB 1.356 30.633 29.460 -0.306 0.000 1.228 48 W HN 0.324 7.928 8.180 -0.959 0.000 0.569 49 E N 1.679 121.616 120.200 -0.438 0.000 2.245 49 E HA 0.830 5.107 4.350 -0.122 0.000 0.199 49 E C -1.473 175.002 176.600 -0.209 0.000 0.951 49 E CA -0.584 55.687 56.400 -0.214 0.000 0.866 49 E CB 2.852 32.497 29.700 -0.092 0.000 2.026 49 E HN 0.159 8.129 8.360 -0.649 0.000 0.436 50 A N -0.101 122.640 122.820 -0.132 0.000 2.529 50 A HA 0.198 4.435 4.320 -0.138 0.000 0.300 50 A C -2.075 175.461 177.584 -0.080 0.000 0.942 50 A CA 0.659 52.624 52.037 -0.120 0.000 0.614 50 A CB 0.624 19.553 19.000 -0.119 0.000 1.367 50 A HN 0.170 8.266 8.150 -0.089 0.000 0.443 51 D N -0.172 120.185 120.400 -0.072 0.000 2.301 51 D HA 0.008 4.616 4.640 -0.053 0.000 0.203 51 D C -0.470 175.801 176.300 -0.049 0.000 1.300 51 D CA -0.153 53.813 54.000 -0.057 0.000 0.899 51 D CB 0.683 41.448 40.800 -0.058 0.000 1.597 51 D HN -0.096 8.228 8.370 -0.076 0.000 0.538 52 L N -0.443 120.756 121.223 -0.041 0.000 2.586 52 L HA -0.083 4.236 4.340 -0.034 0.000 0.307 52 L C -1.024 175.828 176.870 -0.031 0.000 1.274 52 L CA 0.721 55.541 54.840 -0.034 0.000 0.857 52 L CB 0.659 42.701 42.059 -0.028 0.000 1.099 52 L HN -0.256 7.950 8.230 -0.040 0.000 0.525 53 E N 1.061 121.245 120.200 -0.026 0.000 2.267 53 E HA 0.094 4.429 4.350 -0.024 0.000 0.258 53 E C -1.132 175.458 176.600 -0.018 0.000 1.074 53 E CA -0.465 55.922 56.400 -0.022 0.000 0.915 53 E CB 1.669 31.357 29.700 -0.020 0.000 1.186 53 E HN 0.144 8.489 8.360 -0.025 0.000 0.439 54 D N -0.997 119.394 120.400 -0.015 0.000 2.450 54 D HA 0.266 4.899 4.640 -0.012 0.000 0.238 54 D C -1.744 174.550 176.300 -0.009 0.000 1.020 54 D CA -0.374 53.619 54.000 -0.012 0.000 1.010 54 D CB 1.331 42.124 40.800 -0.012 0.000 1.342 54 D HN 0.175 8.537 8.370 -0.014 0.000 0.530 55 E N -0.719 119.477 120.200 -0.008 0.000 2.435 55 E HA 0.511 4.858 4.350 -0.005 0.000 0.272 55 E C -1.917 174.680 176.600 -0.005 0.000 1.031 55 E CA -1.163 55.234 56.400 -0.006 0.000 0.872 55 E CB 2.784 32.481 29.700 -0.005 0.000 1.588 55 E HN 0.285 8.640 8.360 -0.008 0.000 0.460 56 L N -4.549 116.672 121.223 -0.003 0.000 2.669 56 L HA 0.383 4.721 4.340 -0.003 0.000 0.255 56 L C -2.078 174.790 176.870 -0.002 0.000 1.123 56 L CA -0.109 54.730 54.840 -0.003 0.000 0.941 56 L CB 1.696 43.754 42.059 -0.003 0.000 1.552 56 L HN -0.098 8.130 8.230 -0.003 0.000 0.394 57 Q N -0.626 119.173 119.800 -0.001 0.000 2.364 57 Q HA 0.398 4.738 4.340 -0.000 0.000 0.257 57 Q C -2.012 173.988 176.000 0.000 0.000 0.956 57 Q CA -0.726 55.077 55.803 -0.000 0.000 0.924 57 Q CB 2.027 30.765 28.738 0.000 0.000 1.413 57 Q HN 0.683 8.953 8.270 -0.001 0.000 0.418 58 T N -0.447 114.108 114.554 0.001 0.000 2.865 58 T HA 0.549 4.900 4.350 0.001 0.000 0.302 58 T C -0.729 173.973 174.700 0.003 0.000 1.078 58 T CA -0.086 62.014 62.100 0.002 0.000 0.942 58 T CB 0.695 69.564 68.868 0.001 0.000 1.387 58 T HN 0.419 8.659 8.240 0.001 0.000 0.557 59 D N -3.599 116.803 120.400 0.003 0.000 2.623 59 D HA 0.508 5.151 4.640 0.005 0.000 0.241 59 D C -1.065 175.238 176.300 0.005 0.000 1.241 59 D CA -1.052 52.951 54.000 0.005 0.000 0.788 59 D CB 1.625 42.428 40.800 0.006 0.000 1.413 59 D HN 0.503 8.875 8.370 0.003 0.000 0.429 60 G N 0.213 109.016 108.800 0.006 0.000 2.543 60 G HA2 0.014 3.978 3.960 0.006 0.000 0.202 60 G HA3 0.014 3.977 3.960 0.006 0.000 0.202 60 G C -1.048 173.857 174.900 0.009 0.000 1.897 60 G CA 0.113 45.217 45.100 0.006 0.000 0.726 60 G HN 0.142 8.436 8.290 0.007 0.000 0.804 61 S N -0.964 114.741 115.700 0.008 0.000 3.327 61 S HA -0.108 4.367 4.470 0.009 0.000 0.844 61 S C -0.654 173.952 174.600 0.010 0.000 1.110 61 S CA 0.046 58.252 58.200 0.010 0.000 1.105 61 S CB 0.267 63.476 63.200 0.014 0.000 0.752 61 S HN -0.211 8.103 8.310 0.007 0.000 0.279 62 Q N 2.444 122.250 119.800 0.010 0.000 2.361 62 Q HA 0.041 4.387 4.340 0.011 0.000 0.182 62 Q C -0.938 175.069 176.000 0.012 0.000 0.650 62 Q CA 0.018 55.827 55.803 0.010 0.000 0.842 62 Q CB 1.160 29.902 28.738 0.007 0.000 1.211 62 Q HN 0.210 8.486 8.270 0.010 0.000 0.502 63 A N 1.703 124.528 122.820 0.009 0.000 2.537 63 A HA -0.050 4.274 4.320 0.008 0.000 0.260 63 A C -0.843 176.749 177.584 0.013 0.000 1.082 63 A CA 1.453 53.495 52.037 0.008 0.000 0.765 63 A CB -0.109 18.892 19.000 0.003 0.000 1.019 63 A HN -0.059 8.095 8.150 0.007 0.000 0.507 64 S N 1.244 116.955 115.700 0.018 0.000 2.582 64 S HA 0.049 4.535 4.470 0.026 0.000 0.287 64 S C -1.414 173.209 174.600 0.037 0.000 1.146 64 S CA -0.311 57.908 58.200 0.031 0.000 0.941 64 S CB 2.498 65.725 63.200 0.044 0.000 1.115 64 S HN 0.073 8.393 8.310 0.016 0.000 0.458 65 R N 2.193 122.716 120.500 0.039 0.000 2.457 65 R HA 0.226 4.587 4.340 0.035 0.000 0.284 65 R C -0.078 176.283 176.300 0.101 0.000 1.024 65 R CA -0.524 55.603 56.100 0.044 0.000 1.025 65 R CB 1.212 31.517 30.300 0.009 0.000 1.063 65 R HN 0.174 8.459 8.270 0.026 0.000 0.493 66 S N 2.855 118.609 115.700 0.089 0.000 3.361 66 S HA -0.214 4.310 4.470 0.090 0.000 0.396 66 S C -1.181 173.557 174.600 0.230 0.000 1.165 66 S CA 0.883 59.150 58.200 0.112 0.000 1.192 66 S CB 0.077 63.323 63.200 0.076 0.000 0.843 66 S HN 0.363 8.710 8.310 0.061 0.000 0.528 67 F N 4.250 124.200 119.950 -0.001 0.000 3.717 67 F HA 0.349 4.876 4.527 -0.001 0.000 0.392 67 F C -1.999 173.800 175.800 -0.001 0.000 1.121 67 F CA -0.034 57.966 58.000 -0.001 0.000 1.511 67 F CB 0.932 39.932 39.000 -0.001 0.000 2.135 67 F HN 0.349 8.746 8.300 0.160 0.000 0.817 68 N N 4.062 122.593 118.700 -0.282 0.000 4.104 68 N HA 0.234 4.758 4.740 -0.359 0.000 0.214 68 N C -2.131 173.267 175.510 -0.186 0.000 1.270 68 N CA -0.311 52.596 53.050 -0.239 0.000 0.894 68 N CB 2.492 40.931 38.487 -0.079 0.000 1.495 68 N HN 0.323 8.551 8.380 -0.254 0.000 0.506 69 Q N -0.116 119.590 119.800 -0.157 0.000 4.263 69 Q HA 0.400 4.690 4.340 -0.083 0.000 0.137 69 Q C -1.893 174.057 176.000 -0.085 0.000 0.848 69 Q CA -0.234 55.503 55.803 -0.111 0.000 0.805 69 Q CB 0.942 29.607 28.738 -0.123 0.000 1.527 69 Q HN 0.666 8.843 8.270 -0.155 0.000 0.464 70 G N 1.085 109.848 108.800 -0.063 0.000 2.318 70 G HA2 0.086 4.022 3.960 -0.040 0.000 0.306 70 G HA3 0.086 4.016 3.960 -0.049 0.000 0.306 70 G C -2.262 172.618 174.900 -0.034 0.000 1.696 70 G CA -0.270 44.802 45.100 -0.046 0.000 0.905 70 G HN -0.003 8.253 8.290 -0.057 0.000 0.700 71 R N 2.669 123.153 120.500 -0.025 0.000 2.583 71 R HA 0.161 4.491 4.340 -0.017 0.000 0.329 71 R C -1.029 175.262 176.300 -0.015 0.000 1.166 71 R CA -0.318 55.771 56.100 -0.018 0.000 1.264 71 R CB 0.948 31.238 30.300 -0.016 0.000 1.324 71 R HN 0.053 8.308 8.270 -0.025 0.000 0.684 72 I N 0.677 121.237 120.570 -0.016 0.000 2.532 72 I HA 0.061 4.223 4.170 -0.012 0.000 0.292 72 I C 0.159 176.269 176.117 -0.011 0.000 1.014 72 I CA -0.192 61.100 61.300 -0.013 0.000 1.340 72 I CB 0.919 38.911 38.000 -0.014 0.000 1.422 72 I HN -0.345 7.854 8.210 -0.018 0.000 0.528 73 E N 6.043 126.237 120.200 -0.009 0.000 2.250 73 E HA 0.339 4.684 4.350 -0.007 0.000 0.269 73 E C -2.105 174.491 176.600 -0.008 0.000 1.018 73 E CA -1.870 54.526 56.400 -0.008 0.000 0.873 73 E CB 0.617 30.313 29.700 -0.007 0.000 1.134 73 E HN -0.004 8.350 8.360 -0.009 0.000 0.403 74 P HA 0.237 4.653 4.420 -0.007 0.000 0.276 74 P C -1.807 175.489 177.300 -0.007 0.000 1.244 74 P CA -0.327 62.769 63.100 -0.007 0.000 0.801 74 P CB 0.810 32.506 31.700 -0.006 0.000 1.006 75 D N 0.692 121.088 120.400 -0.007 0.000 2.591 75 D HA 0.285 4.921 4.640 -0.007 0.000 0.222 75 D C -1.508 174.788 176.300 -0.007 0.000 1.360 75 D CA -0.038 53.958 54.000 -0.007 0.000 0.967 75 D CB 1.575 42.371 40.800 -0.007 0.000 1.456 75 D HN 0.176 8.542 8.370 -0.007 0.000 0.588 76 S N 1.154 116.849 115.700 -0.008 0.000 2.668 76 S HA 0.072 4.537 4.470 -0.008 0.000 0.277 76 S C -1.348 173.247 174.600 -0.009 0.000 1.170 76 S CA -0.325 57.870 58.200 -0.008 0.000 0.994 76 S CB 1.737 64.932 63.200 -0.008 0.000 1.051 76 S HN -0.142 8.163 8.310 -0.008 0.000 0.484 77 E N 4.204 124.398 120.200 -0.009 0.000 2.155 77 E HA 0.442 4.786 4.350 -0.010 0.000 0.264 77 E C -1.173 175.421 176.600 -0.010 0.000 0.886 77 E CA -0.192 56.202 56.400 -0.010 0.000 0.752 77 E CB 1.106 30.799 29.700 -0.011 0.000 1.133 77 E HN 0.146 8.500 8.360 -0.009 0.000 0.414 78 S N 3.063 118.757 115.700 -0.010 0.000 2.461 78 S HA 0.000 4.464 4.470 -0.010 0.000 0.245 78 S C -1.302 173.291 174.600 -0.012 0.000 1.039 78 S CA 0.627 58.821 58.200 -0.010 0.000 1.077 78 S CB 0.482 63.676 63.200 -0.010 0.000 1.171 78 S HN 0.313 8.616 8.310 -0.011 0.000 0.433 79 Q N 4.510 124.304 119.800 -0.011 0.000 2.292 79 Q HA 0.324 4.655 4.340 -0.015 0.000 0.270 79 Q C -0.821 175.173 176.000 -0.010 0.000 1.024 79 Q CA -0.571 55.225 55.803 -0.012 0.000 0.768 79 Q CB 1.880 30.613 28.738 -0.008 0.000 1.250 79 Q HN 0.048 8.312 8.270 -0.010 0.000 0.447 80 E N 2.583 122.772 120.200 -0.018 0.000 2.371 80 E HA 0.020 4.364 4.350 -0.010 0.000 0.257 80 E C -0.931 175.658 176.600 -0.020 0.000 1.134 80 E CA 0.016 56.404 56.400 -0.019 0.000 0.919 80 E CB 0.760 30.442 29.700 -0.030 0.000 1.025 80 E HN 0.121 8.467 8.360 -0.024 0.000 0.438 81 E N -1.709 118.486 120.200 -0.007 0.000 7.473 81 E HA -0.182 4.193 4.350 0.042 0.000 0.374 81 E C -0.350 176.292 176.600 0.070 0.000 0.644 81 E CA 0.520 56.933 56.400 0.021 0.000 1.131 81 E CB 0.020 29.674 29.700 -0.077 0.000 0.938 81 E HN 0.133 8.492 8.360 -0.002 0.000 0.266 82 I N -2.146 118.481 120.570 0.095 0.000 2.927 82 I HA 0.071 4.281 4.170 0.067 0.000 0.268 82 I C 0.995 177.196 176.117 0.139 0.000 1.153 82 I CA 1.437 62.789 61.300 0.088 0.000 1.459 82 I CB 0.316 38.347 38.000 0.053 0.000 1.149 82 I HN -0.091 8.178 8.210 0.099 0.000 0.443 83 I N 2.145 122.832 120.570 0.196 0.000 2.091 83 I HA -0.534 3.741 4.170 0.176 0.000 0.239 83 I C 1.438 177.720 176.117 0.274 0.000 1.061 83 I CA 4.381 65.830 61.300 0.250 0.000 1.317 83 I CB -0.871 37.322 38.000 0.322 0.000 1.031 83 I HN -0.142 8.185 8.210 0.195 0.000 0.401 84 H N -2.447 116.719 119.070 0.161 0.000 2.390 84 H HA -0.361 4.305 4.556 0.184 0.000 0.298 84 H C 2.376 177.775 175.328 0.119 0.000 1.106 84 H CA 3.953 60.085 56.048 0.140 0.000 1.297 84 H CB -0.766 29.047 29.762 0.085 0.000 1.375 84 H HN 0.118 8.764 8.280 0.611 0.000 0.509 85 N N -1.092 117.735 118.700 0.212 0.000 2.094 85 N HA -0.381 4.431 4.740 0.119 0.000 0.191 85 N C 1.755 177.353 175.510 0.147 0.000 1.023 85 N CA 3.722 56.850 53.050 0.131 0.000 0.857 85 N CB -0.073 38.456 38.487 0.071 0.000 1.013 85 N HN -0.440 7.972 8.380 0.213 0.096 0.426 86 I N -0.259 120.401 120.570 0.150 0.000 2.286 86 I HA -0.339 3.974 4.170 0.237 0.000 0.248 86 I C 1.147 177.371 176.117 0.178 0.000 1.115 86 I CA 3.048 64.450 61.300 0.171 0.000 1.392 86 I CB -0.111 37.946 38.000 0.095 0.000 1.065 86 I HN -0.104 8.100 8.210 0.144 0.092 0.418 87 A N -1.508 121.421 122.820 0.181 0.000 1.851 87 A HA -0.270 4.174 4.320 0.205 0.000 0.216 87 A C 2.440 180.113 177.584 0.149 0.000 1.195 87 A CA 3.147 55.294 52.037 0.183 0.000 0.622 87 A CB -1.030 18.066 19.000 0.161 0.000 0.831 87 A HN -0.773 7.366 8.150 0.191 0.126 0.444 88 R N -1.275 119.300 120.500 0.126 0.000 2.096 88 R HA -0.372 4.154 4.340 0.053 -0.154 0.235 88 R C 1.789 178.107 176.300 0.030 0.000 1.127 88 R CA 2.636 58.775 56.100 0.065 0.000 0.968 88 R CB -0.894 29.441 30.300 0.058 0.000 0.861 88 R HN -0.410 7.942 8.270 0.138 0.000 0.440 89 H N 0.848 119.913 119.070 -0.009 0.000 2.457 89 H HA -0.231 4.296 4.556 -0.048 0.000 0.297 89 H C 1.484 176.793 175.328 -0.033 0.000 1.092 89 H CA 2.573 58.606 56.048 -0.024 0.000 1.309 89 H CB 0.428 30.193 29.762 0.005 0.000 1.382 89 H HN 0.411 8.632 8.280 0.216 0.189 0.535 90 L N -1.032 120.153 121.223 -0.063 0.000 1.955 90 L HA -0.385 3.883 4.340 -0.119 0.000 0.213 90 L C 1.371 178.167 176.870 -0.123 0.000 1.072 90 L CA 3.695 58.512 54.840 -0.037 0.000 0.755 90 L CB -0.344 41.817 42.059 0.171 0.000 0.888 90 L HN -0.380 7.726 8.230 0.061 0.161 0.432 91 A N -2.832 119.711 122.820 -0.462 0.000 1.873 91 A HA -0.477 2.885 4.320 -1.597 0.000 0.218 91 A C 2.298 179.496 177.584 -0.642 0.000 1.193 91 A CA 3.073 54.134 52.037 -1.627 0.000 0.629 91 A CB -1.125 16.037 19.000 -3.063 0.000 0.826 91 A HN -0.565 7.377 8.150 -0.346 0.000 0.447 92 Q N -1.726 117.823 119.800 -0.419 0.000 2.173 92 Q HA -0.373 3.850 4.340 -0.196 0.000 0.208 92 Q C 2.412 178.305 176.000 -0.179 0.000 0.989 92 Q CA 3.147 58.823 55.803 -0.212 0.000 0.872 92 Q CB -0.073 28.629 28.738 -0.060 0.000 0.909 92 Q HN -0.677 7.362 8.270 -0.385 0.000 0.420 93 I N -2.535 117.876 120.570 -0.265 0.000 2.439 93 I HA -0.213 3.859 4.170 -0.163 0.000 0.251 93 I C 1.986 178.056 176.117 -0.079 0.000 1.139 93 I CA 2.609 63.786 61.300 -0.206 0.000 1.438 93 I CB -1.124 36.690 38.000 -0.310 0.000 1.085 93 I HN 0.169 8.041 8.210 -0.344 0.131 0.427 94 G N 0.849 109.621 108.800 -0.048 0.000 2.459 94 G HA2 -0.430 3.569 3.960 0.065 0.000 0.217 94 G HA3 -0.430 3.625 3.960 0.142 -0.010 0.217 94 G C 1.091 176.006 174.900 0.025 0.000 1.183 94 G CA 2.495 47.625 45.100 0.050 0.000 0.776 94 G HN 0.285 8.376 8.290 -0.100 0.140 0.552 95 D N 1.673 122.066 120.400 -0.012 0.000 2.084 95 D HA -0.272 4.380 4.640 0.021 0.000 0.194 95 D C 1.873 178.177 176.300 0.006 0.000 0.990 95 D CA 3.031 57.029 54.000 -0.002 0.000 0.826 95 D CB -0.173 40.611 40.800 -0.027 0.000 0.971 95 D HN -0.661 7.669 8.370 -0.066 0.000 0.453 96 E N -0.514 119.683 120.200 -0.004 0.000 2.085 96 E HA -0.330 4.032 4.350 0.019 0.000 0.194 96 E C 2.736 179.374 176.600 0.064 0.000 0.994 96 E CA 2.550 58.965 56.400 0.025 0.000 0.801 96 E CB 0.074 29.787 29.700 0.022 0.000 0.743 96 E HN -0.617 7.726 8.360 -0.028 0.000 0.453 97 M N -0.270 119.350 119.600 0.033 0.000 2.106 97 M HA -0.314 4.182 4.480 0.028 0.000 0.259 97 M C 1.928 178.258 176.300 0.049 0.000 1.068 97 M CA 1.965 57.283 55.300 0.031 0.000 1.100 97 M CB -1.302 31.307 32.600 0.014 0.000 1.351 97 M HN 0.596 8.689 8.290 0.009 0.203 0.404 98 D N -1.161 119.268 120.400 0.049 0.000 2.276 98 D HA -0.390 4.268 4.640 0.030 0.000 0.200 98 D C 2.450 178.807 176.300 0.095 0.000 1.004 98 D CA 3.001 57.032 54.000 0.050 0.000 0.898 98 D CB -0.161 40.663 40.800 0.041 0.000 0.906 98 D HN -0.430 7.878 8.370 0.040 0.086 0.457 99 H N -0.767 118.294 119.070 -0.015 0.000 2.289 99 H HA -0.269 4.279 4.556 -0.013 0.000 0.296 99 H C 0.496 175.811 175.328 -0.023 0.000 1.091 99 H CA 2.160 58.198 56.048 -0.016 0.000 1.274 99 H CB 0.566 30.320 29.762 -0.014 0.000 1.364 99 H HN -0.130 8.094 8.280 0.179 0.163 0.490 100 N N -2.169 116.520 118.700 -0.019 0.000 2.685 100 N HA 0.102 4.791 4.740 -0.084 0.000 0.252 100 N C -1.679 173.780 175.510 -0.084 0.000 1.261 100 N CA -0.083 52.901 53.050 -0.110 0.000 0.768 100 N CB 0.658 39.011 38.487 -0.224 0.000 1.304 100 N HN -0.014 8.298 8.380 0.023 0.082 0.536 101 I N 3.046 123.579 120.570 -0.061 0.000 2.692 101 I HA 0.069 4.182 4.170 -0.094 0.000 0.285 101 I C -1.736 174.325 176.117 -0.093 0.000 1.191 101 I CA -0.816 60.440 61.300 -0.073 0.000 1.128 101 I CB -0.648 37.330 38.000 -0.037 0.000 1.585 101 I HN 0.336 8.521 8.210 -0.041 0.000 0.558 102 Q N 1.859 121.579 119.800 -0.133 0.000 3.769 102 Q HA 0.166 4.487 4.340 -0.175 -0.087 0.099 102 Q C -2.154 173.764 176.000 -0.136 0.000 0.641 102 Q CA -0.547 55.175 55.803 -0.135 0.000 0.967 102 Q CB 0.164 28.853 28.738 -0.081 0.000 1.473 102 Q HN -0.112 8.067 8.270 -0.152 0.000 0.415 103 P HA 0.146 4.496 4.420 -0.116 0.000 0.247 103 P C -0.783 176.441 177.300 -0.126 0.000 1.225 103 P CA 0.740 63.751 63.100 -0.148 0.000 0.768 103 P CB 0.512 32.113 31.700 -0.164 0.000 1.020 104 T N -5.114 109.361 114.554 -0.132 0.000 4.858 104 T HA -0.070 4.251 4.350 -0.049 0.000 0.314 104 T C -0.929 173.744 174.700 -0.044 0.000 0.930 104 T CA 0.204 62.260 62.100 -0.074 0.000 0.590 104 T CB 0.359 69.192 68.868 -0.060 0.000 0.870 104 T HN -0.402 7.640 8.240 -0.157 0.104 0.573 105 L N -3.341 117.837 121.223 -0.074 0.000 3.711 105 L HA -0.235 4.089 4.340 -0.027 0.000 0.400 105 L C -1.237 175.642 176.870 0.015 0.000 1.010 105 L CA 0.500 55.331 54.840 -0.015 0.000 1.295 105 L CB -1.875 40.203 42.059 0.032 0.000 1.893 105 L HN -0.501 7.535 8.230 -0.120 0.122 0.491 106 V N 0.613 120.411 119.914 -0.193 0.000 2.232 106 V HA -0.411 3.586 4.120 -0.207 0.000 0.237 106 V C 1.005 177.168 176.094 0.114 0.000 1.035 106 V CA 3.790 65.877 62.300 -0.355 0.000 0.988 106 V CB -0.113 31.092 31.823 -1.031 0.000 0.636 106 V HN -0.128 7.897 8.190 -0.275 0.000 0.456 107 R N -3.264 117.231 120.500 -0.007 0.000 2.261 107 R HA -0.369 4.028 4.340 0.096 0.000 0.236 107 R C 2.060 178.364 176.300 0.006 0.000 1.141 107 R CA 2.977 59.094 56.100 0.028 0.000 1.001 107 R CB -1.110 29.173 30.300 -0.027 0.000 0.866 107 R HN 0.132 8.337 8.270 -0.109 0.000 0.468 108 Q N -1.940 117.867 119.800 0.013 0.000 2.020 108 Q HA -0.220 4.096 4.340 -0.040 0.000 0.202 108 Q C 2.232 178.244 176.000 0.020 0.000 0.982 108 Q CA 3.012 58.814 55.803 -0.002 0.000 0.838 108 Q CB -0.696 28.045 28.738 0.006 0.000 0.899 108 Q HN 0.279 8.480 8.270 0.007 0.073 0.423 109 L N -2.502 118.785 121.223 0.106 0.000 1.961 109 L HA -0.165 4.316 4.340 0.085 -0.090 0.210 109 L C 2.379 179.325 176.870 0.127 0.000 1.072 109 L CA 2.950 57.867 54.840 0.128 0.000 0.749 109 L CB -1.703 40.468 42.059 0.187 0.000 0.889 109 L HN -0.503 7.826 8.230 0.165 0.000 0.432 110 A N -0.850 122.090 122.820 0.200 0.000 1.958 110 A HA -0.431 4.265 4.320 0.626 0.000 0.221 110 A C 1.544 178.888 177.584 -0.400 0.000 1.178 110 A CA 2.907 55.099 52.037 0.258 0.000 0.642 110 A CB -1.100 18.096 19.000 0.326 0.000 0.816 110 A HN -0.397 7.911 8.150 0.263 0.000 0.453 111 A N -2.845 119.788 122.820 -0.310 0.000 2.066 111 A HA -0.290 3.622 4.320 -0.680 0.000 0.218 111 A C 1.584 178.913 177.584 -0.424 0.000 1.157 111 A CA 1.845 53.607 52.037 -0.459 0.000 0.670 111 A CB -0.484 18.360 19.000 -0.260 0.000 0.804 111 A HN 0.028 7.902 8.150 -0.123 0.203 0.453 112 Q N -0.516 119.150 119.800 -0.224 0.000 2.030 112 Q HA -0.308 3.976 4.340 -0.094 0.000 0.204 112 Q C 1.634 177.582 176.000 -0.087 0.000 0.986 112 Q CA 2.438 58.183 55.803 -0.097 0.000 0.843 112 Q CB -0.170 28.579 28.738 0.017 0.000 0.904 112 Q HN 0.304 8.293 8.270 -0.127 0.204 0.420 113 F N -4.207 115.742 119.950 -0.002 0.000 2.186 113 F HA -0.024 4.502 4.527 -0.002 0.000 0.299 113 F C 1.082 176.868 175.800 -0.024 0.000 1.090 113 F CA -0.190 57.806 58.000 -0.006 0.000 1.307 113 F CB 0.015 39.020 39.000 0.008 0.000 1.019 113 F HN -0.876 7.461 8.300 0.061 0.000 0.489 114 M N 3.309 122.276 119.600 -1.055 0.000 3.582 114 M HA -0.294 4.067 4.480 -0.199 0.000 0.183 114 M C -1.772 174.393 176.300 -0.225 0.000 1.735 114 M CA 0.666 55.590 55.300 -0.628 0.000 1.771 114 M CB -2.310 29.771 32.600 -0.863 0.000 1.271 114 M HN -0.628 6.366 8.290 -2.043 0.070 0.524 115 N N 1.788 120.466 118.700 -0.036 0.000 2.494 115 N HA 0.142 4.874 4.740 -0.013 0.000 0.270 115 N C -1.342 174.195 175.510 0.045 0.000 1.285 115 N CA -1.259 51.790 53.050 -0.001 0.000 0.812 115 N CB 3.141 41.626 38.487 -0.003 0.000 1.557 115 N HN 0.127 8.506 8.380 0.073 0.045 0.487 116 G N -1.636 107.189 108.800 0.042 0.000 2.967 116 G HA2 -0.288 3.694 3.960 0.037 0.000 0.684 116 G HA3 -0.288 3.696 3.960 0.041 0.000 0.684 116 G C 0.036 174.965 174.900 0.047 0.000 1.596 116 G CA -0.141 44.985 45.100 0.042 0.000 1.102 116 G HN 0.026 8.341 8.290 0.042 0.000 0.596 117 S N -1.199 114.524 115.700 0.039 0.000 2.671 117 S HA -0.041 4.455 4.470 0.044 0.000 0.220 117 S C -0.851 173.772 174.600 0.037 0.000 0.951 117 S CA 0.745 58.968 58.200 0.038 0.000 0.932 117 S CB 0.284 63.502 63.200 0.030 0.000 0.777 117 S HN 0.161 8.491 8.310 0.033 0.000 0.508 118 L N -6.964 114.282 121.223 0.039 0.000 3.007 118 L HA 0.239 4.600 4.340 0.035 0.000 0.237 118 L C -2.248 174.643 176.870 0.035 0.000 0.965 118 L CA 0.210 55.070 54.840 0.034 0.000 1.116 118 L CB 0.260 42.335 42.059 0.027 0.000 1.491 118 L HN -0.924 7.235 8.230 0.041 0.096 0.565 119 S N 3.249 118.975 115.700 0.043 0.000 2.509 119 S HA 0.227 4.720 4.470 0.039 0.000 0.297 119 S C 0.121 174.740 174.600 0.031 0.000 1.118 119 S CA -1.157 57.071 58.200 0.046 0.000 1.074 119 S CB 1.425 64.670 63.200 0.075 0.000 1.038 119 S HN 0.265 8.604 8.310 0.049 0.000 0.498 120 E N 3.031 123.246 120.200 0.025 0.000 2.791 120 E HA -0.333 4.025 4.350 0.014 0.000 0.271 120 E C -1.349 175.256 176.600 0.008 0.000 1.044 120 E CA 0.934 57.343 56.400 0.014 0.000 0.814 120 E CB -0.574 29.130 29.700 0.008 0.000 1.400 120 E HN 0.685 9.062 8.360 0.028 0.000 0.423 121 E N -3.969 116.239 120.200 0.012 0.000 2.291 121 E HA -0.260 4.098 4.350 0.013 0.000 0.181 121 E C -2.138 174.467 176.600 0.009 0.000 1.480 121 E CA 1.264 57.671 56.400 0.011 0.000 0.674 121 E CB -0.946 28.759 29.700 0.008 0.000 1.108 121 E HN 0.120 8.471 8.360 0.016 0.019 0.357 122 D N -2.539 117.868 120.400 0.012 0.000 2.790 122 D HA -0.095 4.557 4.640 0.020 0.000 0.114 122 D C -1.173 175.131 176.300 0.006 0.000 0.865 122 D CA -0.087 53.920 54.000 0.012 0.000 1.599 122 D CB 1.245 42.047 40.800 0.002 0.000 3.268 122 D HN -0.228 8.152 8.370 0.016 0.000 0.840 123 K N 4.829 125.242 120.400 0.021 0.000 2.121 123 K HA -0.067 4.261 4.320 0.013 0.000 0.235 123 K C -0.464 176.115 176.600 -0.034 0.000 1.200 123 K CA 0.170 56.467 56.287 0.016 0.000 1.115 123 K CB -1.844 30.681 32.500 0.042 0.000 1.474 123 K HN 0.412 8.682 8.250 0.034 0.000 0.295 124 R N -3.228 117.206 120.500 -0.111 0.000 1.629 124 R HA -0.132 3.962 4.340 -0.409 0.000 0.035 124 R C -0.061 176.102 176.300 -0.229 0.000 0.790 124 R CA 1.328 57.257 56.100 -0.286 0.000 3.188 124 R CB -0.694 29.436 30.300 -0.283 0.000 0.805 124 R HN 0.123 8.318 8.270 -0.081 0.026 0.563 125 N N 1.555 120.176 118.700 -0.133 0.000 2.142 125 N HA -0.240 4.429 4.740 -0.118 0.000 0.186 125 N C 1.402 176.795 175.510 -0.196 0.000 1.023 125 N CA 4.480 57.456 53.050 -0.124 0.000 0.852 125 N CB 0.460 38.908 38.487 -0.065 0.000 0.998 125 N HN -0.510 7.821 8.380 -0.083 0.000 0.424 126 C N -2.377 116.815 119.300 -0.180 0.000 2.367 126 C HA -0.490 3.915 4.460 -0.091 0.000 0.276 126 C C 1.623 176.040 174.990 -0.955 0.000 1.195 126 C CA 4.241 63.132 59.018 -0.211 0.000 1.756 126 C CB -0.407 27.404 27.740 0.118 0.000 2.046 126 C HN -0.665 7.501 8.230 -0.106 0.000 0.453 127 L N 0.347 120.811 121.223 -1.266 0.000 1.933 127 L HA -0.338 0.935 4.340 -5.112 0.000 0.220 127 L C 2.596 179.076 176.870 -0.650 0.000 1.078 127 L CA 2.665 56.380 54.840 -1.875 0.000 0.773 127 L CB -1.467 40.174 42.059 -0.696 0.000 0.890 127 L HN -0.755 7.096 8.230 -0.631 0.000 0.434 128 A N -1.100 121.599 122.820 -0.203 0.000 2.054 128 A HA -0.413 4.032 4.320 0.136 -0.044 0.223 128 A C 1.952 179.443 177.584 -0.155 0.000 1.169 128 A CA 2.907 54.922 52.037 -0.036 0.000 0.655 128 A CB -1.024 17.924 19.000 -0.087 0.000 0.812 128 A HN -0.276 7.721 8.150 -0.259 -0.003 0.462 129 K N -2.257 118.008 120.400 -0.225 0.000 2.209 129 K HA -0.293 3.953 4.320 -0.122 0.000 0.204 129 K C 2.135 178.696 176.600 -0.065 0.000 1.048 129 K CA 2.530 58.729 56.287 -0.146 0.000 0.940 129 K CB -0.005 32.427 32.500 -0.113 0.000 0.729 129 K HN 0.155 7.955 8.250 -0.340 0.245 0.451 130 A N -0.406 122.409 122.820 -0.008 0.000 1.872 130 A HA -0.104 4.577 4.320 0.284 -0.191 0.214 130 A C 1.910 179.575 177.584 0.136 0.000 1.187 130 A CA 2.756 54.984 52.037 0.318 0.000 0.614 130 A CB -0.514 18.961 19.000 0.792 0.000 0.826 130 A HN 0.738 8.556 8.150 -0.247 0.184 0.442 131 L N -1.372 119.686 121.223 -0.276 0.000 2.034 131 L HA -0.450 3.238 4.340 -1.087 0.000 0.217 131 L C 1.354 177.948 176.870 -0.460 0.000 1.077 131 L CA 3.444 57.653 54.840 -1.052 0.000 0.769 131 L CB -1.144 39.860 42.059 -1.758 0.000 0.890 131 L HN -0.651 7.404 8.230 -0.178 0.068 0.435 132 D N -2.326 117.885 120.400 -0.314 0.000 2.144 132 D HA -0.315 4.184 4.640 -0.237 0.000 0.200 132 D C 1.799 177.980 176.300 -0.197 0.000 0.978 132 D CA 3.469 57.336 54.000 -0.221 0.000 0.833 132 D CB 0.163 40.870 40.800 -0.156 0.000 0.961 132 D HN -0.586 7.617 8.370 -0.287 -0.005 0.470 133 E N 0.298 120.412 120.200 -0.144 0.000 2.006 133 E HA -0.324 3.955 4.350 -0.118 0.000 0.192 133 E C 2.472 178.878 176.600 -0.322 0.000 0.993 133 E CA 2.723 59.047 56.400 -0.127 0.000 0.808 133 E CB 0.072 29.777 29.700 0.008 0.000 0.764 133 E HN -0.699 7.501 8.360 -0.097 0.103 0.449 134 V N 0.288 119.994 119.914 -0.347 0.000 2.313 134 V HA -0.495 2.846 4.120 -1.298 0.000 0.253 134 V C 0.904 176.062 176.094 -1.560 0.000 1.070 134 V CA 4.022 65.721 62.300 -1.001 0.000 1.057 134 V CB -0.130 31.603 31.823 -0.151 0.000 0.653 134 V HN 0.521 8.525 8.190 -0.098 0.127 0.450 135 K N -1.413 118.577 120.400 -0.684 0.000 2.103 135 K HA -0.200 4.106 4.320 -0.451 -0.257 0.204 135 K C 1.519 177.898 176.600 -0.369 0.000 1.052 135 K CA 2.679 58.691 56.287 -0.458 0.000 0.945 135 K CB -0.784 31.548 32.500 -0.279 0.000 0.722 135 K HN -0.471 7.500 8.250 -0.465 0.000 0.443 136 T N -0.878 113.478 114.554 -0.329 0.000 2.849 136 T HA -0.236 4.029 4.350 -0.141 0.000 0.270 136 T C 0.408 175.015 174.700 -0.154 0.000 1.066 136 T CA 2.185 64.170 62.100 -0.192 0.000 1.130 136 T CB 0.160 68.943 68.868 -0.141 0.000 0.864 136 T HN -0.745 7.064 8.240 -0.342 0.226 0.481 137 A N -0.001 122.658 122.820 -0.268 0.000 1.938 137 A HA 0.018 4.377 4.320 0.065 0.000 0.207 137 A C -0.230 177.482 177.584 0.212 0.000 1.292 137 A CA 1.250 53.306 52.037 0.033 0.000 0.700 137 A CB 1.306 20.490 19.000 0.307 0.000 0.947 137 A HN -0.368 7.274 8.150 -0.606 0.144 0.476 138 F N -5.821 114.125 119.950 -0.007 0.000 2.532 138 F HA 0.583 5.100 4.527 -0.016 0.000 0.313 138 F C -2.983 172.801 175.800 -0.027 0.000 1.301 138 F CA -4.728 53.263 58.000 -0.015 0.000 1.154 138 F CB -1.025 37.968 39.000 -0.011 0.000 1.335 138 F HN 0.244 7.656 8.300 -1.279 0.120 0.542 139 P HA 0.114 4.601 4.420 -0.106 -0.131 0.274 139 P C -0.806 176.483 177.300 -0.018 0.000 1.237 139 P CA -0.254 62.807 63.100 -0.065 0.000 0.793 139 P CB 1.155 32.810 31.700 -0.074 0.000 0.977 140 R N -0.430 120.049 120.500 -0.034 0.000 3.480 140 R HA -0.072 4.264 4.340 -0.008 0.000 0.261 140 R C -0.722 175.558 176.300 -0.034 0.000 0.866 140 R CA -0.185 55.904 56.100 -0.020 0.000 0.776 140 R CB 1.047 31.342 30.300 -0.009 0.000 1.555 140 R HN 0.216 8.454 8.270 -0.054 0.000 0.478 141 D N -0.329 120.061 120.400 -0.017 0.000 2.230 141 D HA 0.113 4.793 4.640 0.068 0.000 0.274 141 D C 1.604 177.703 176.300 -0.335 0.000 1.222 141 D CA 2.007 56.019 54.000 0.019 0.000 0.943 141 D CB 0.409 41.321 40.800 0.187 0.000 0.920 141 D HN 0.123 8.493 8.370 0.000 0.000 0.300 142 M N -0.923 118.446 119.600 -0.384 0.000 2.213 142 M HA -0.264 2.770 4.480 -2.411 0.000 0.263 142 M C 2.105 178.153 176.300 -0.419 0.000 1.062 142 M CA 4.013 58.788 55.300 -0.875 0.000 1.105 142 M CB -0.259 32.291 32.600 -0.085 0.000 1.385 142 M HN -0.295 8.032 8.290 0.062 0.000 0.417 143 E N 0.430 120.517 120.200 -0.188 0.000 2.006 143 E HA -0.314 3.990 4.350 -0.077 0.000 0.192 143 E C 1.646 178.208 176.600 -0.064 0.000 0.993 143 E CA 3.413 59.761 56.400 -0.087 0.000 0.808 143 E CB -0.457 29.227 29.700 -0.026 0.000 0.764 143 E HN 0.180 8.452 8.360 -0.126 0.012 0.449 144 N N -0.378 118.288 118.700 -0.057 0.000 2.062 144 N HA -0.251 4.650 4.740 0.099 -0.102 0.191 144 N C 2.137 177.602 175.510 -0.074 0.000 1.042 144 N CA 2.863 55.906 53.050 -0.013 0.000 0.845 144 N CB -0.415 38.045 38.487 -0.045 0.000 1.024 144 N HN -0.189 8.151 8.380 -0.067 0.000 0.424 145 D N 0.364 120.656 120.400 -0.181 0.000 2.192 145 D HA -0.420 4.140 4.640 -0.133 0.000 0.189 145 D C 2.042 178.241 176.300 -0.168 0.000 1.007 145 D CA 3.841 57.713 54.000 -0.214 0.000 0.859 145 D CB -0.132 40.417 40.800 -0.418 0.000 0.936 145 D HN 0.382 8.538 8.370 -0.201 0.093 0.447 146 K N -1.657 118.592 120.400 -0.252 0.000 2.211 146 K HA -0.244 4.024 4.320 -0.087 0.000 0.203 146 K C 1.881 178.485 176.600 0.006 0.000 1.050 146 K CA 2.518 58.731 56.287 -0.123 0.000 0.945 146 K CB -0.003 32.405 32.500 -0.154 0.000 0.732 146 K HN -0.447 7.462 8.250 -0.390 0.107 0.451 147 A N -0.611 122.236 122.820 0.045 0.000 1.845 147 A HA -0.269 4.130 4.320 0.131 0.000 0.215 147 A C 2.122 179.867 177.584 0.268 0.000 1.195 147 A CA 2.937 55.085 52.037 0.185 0.000 0.616 147 A CB -0.991 18.222 19.000 0.356 0.000 0.832 147 A HN 0.126 8.021 8.150 -0.002 0.253 0.443 148 M N -1.316 118.418 119.600 0.223 0.000 2.106 148 M HA -0.448 4.297 4.480 0.442 0.000 0.259 148 M C 2.378 179.027 176.300 0.581 0.000 1.068 148 M CA 3.323 58.816 55.300 0.321 0.000 1.100 148 M CB -0.125 32.435 32.600 -0.066 0.000 1.351 148 M HN -0.013 8.244 8.290 0.111 0.100 0.404 149 L N -1.315 120.115 121.223 0.345 0.000 2.043 149 L HA -0.299 4.308 4.340 0.445 0.000 0.212 149 L C 1.986 178.969 176.870 0.189 0.000 1.075 149 L CA 3.105 58.123 54.840 0.297 0.000 0.752 149 L CB -1.505 40.642 42.059 0.146 0.000 0.891 149 L HN -0.223 8.121 8.230 0.187 -0.002 0.432 150 I N -5.065 115.597 120.570 0.154 0.000 2.315 150 I HA -0.399 3.812 4.170 0.069 0.000 0.251 150 I C 1.494 177.658 176.117 0.078 0.000 1.125 150 I CA 2.792 64.150 61.300 0.097 0.000 1.392 150 I CB -0.517 37.529 38.000 0.077 0.000 1.065 150 I HN -0.510 7.702 8.210 0.158 0.092 0.424 151 M N -1.032 118.643 119.600 0.125 0.000 2.067 151 M HA -0.320 4.191 4.480 0.051 0.000 0.260 151 M C 2.370 178.517 176.300 -0.254 0.000 1.069 151 M CA 1.611 56.917 55.300 0.010 0.000 1.117 151 M CB -2.247 30.479 32.600 0.210 0.000 1.334 151 M HN -0.018 8.274 8.290 0.265 0.157 0.407 152 T N 1.925 116.147 114.554 -0.554 0.000 2.620 152 T HA -0.364 3.563 4.350 -0.706 0.000 0.267 152 T C 2.154 176.716 174.700 -0.230 0.000 1.044 152 T CA 4.406 66.189 62.100 -0.528 0.000 1.161 152 T CB -0.126 68.530 68.868 -0.354 0.000 0.862 152 T HN -0.625 7.287 8.240 -0.546 0.000 0.438 153 M N -2.050 117.505 119.600 -0.075 0.000 2.296 153 M HA -0.231 4.198 4.480 -0.085 0.000 0.265 153 M C 1.188 177.524 176.300 0.060 0.000 1.064 153 M CA 3.736 59.082 55.300 0.077 0.000 1.109 153 M CB -0.672 32.128 32.600 0.333 0.000 1.396 153 M HN -0.603 7.673 8.290 -0.024 0.000 0.430 154 L N 1.810 123.030 121.223 -0.005 0.000 1.989 154 L HA -0.268 4.080 4.340 0.014 0.000 0.211 154 L C 1.267 178.102 176.870 -0.058 0.000 1.071 154 L CA 3.418 58.245 54.840 -0.021 0.000 0.749 154 L CB -0.653 41.383 42.059 -0.039 0.000 0.890 154 L HN 0.024 8.067 8.230 -0.033 0.167 0.431 155 L N -1.657 119.506 121.223 -0.100 0.000 1.971 155 L HA -0.475 3.759 4.340 -0.177 0.000 0.215 155 L C 2.101 178.939 176.870 -0.053 0.000 1.072 155 L CA 3.210 57.983 54.840 -0.111 0.000 0.758 155 L CB -2.801 39.220 42.059 -0.065 0.000 0.889 155 L HN -0.140 8.023 8.230 -0.112 0.000 0.433 156 A N -0.692 122.098 122.820 -0.051 0.000 1.865 156 A HA -0.473 3.853 4.320 0.011 0.000 0.217 156 A C 2.442 180.083 177.584 0.094 0.000 1.191 156 A CA 3.121 55.154 52.037 -0.006 0.000 0.623 156 A CB -0.905 17.988 19.000 -0.178 0.000 0.826 156 A HN -0.373 7.716 8.150 -0.101 0.000 0.444 157 K N -1.454 119.027 120.400 0.135 0.000 2.052 157 K HA -0.358 4.081 4.320 0.199 0.000 0.215 157 K C 2.912 179.565 176.600 0.087 0.000 1.053 157 K CA 2.810 59.182 56.287 0.143 0.000 0.934 157 K CB -0.176 32.394 32.500 0.117 0.000 0.717 157 K HN 0.416 8.617 8.250 0.129 0.126 0.450 158 K N -1.489 118.934 120.400 0.038 0.000 2.005 158 K HA -0.164 4.196 4.320 0.067 0.000 0.206 158 K C 2.568 179.233 176.600 0.108 0.000 1.044 158 K CA 2.553 58.861 56.287 0.035 0.000 0.942 158 K CB 0.133 32.580 32.500 -0.089 0.000 0.727 158 K HN 0.003 8.149 8.250 0.004 0.107 0.439 159 V N 0.574 120.521 119.914 0.055 0.000 2.231 159 V HA -0.482 3.835 4.120 0.185 -0.086 0.250 159 V C 2.562 178.718 176.094 0.102 0.000 1.058 159 V CA 3.756 66.115 62.300 0.098 0.000 1.022 159 V CB -1.291 30.555 31.823 0.038 0.000 0.640 159 V HN 0.844 8.890 8.190 -0.015 0.135 0.445 160 A N -1.500 121.373 122.820 0.089 0.000 1.969 160 A HA -0.336 4.031 4.320 0.078 0.000 0.223 160 A C 1.192 178.824 177.584 0.079 0.000 1.218 160 A CA 2.970 55.063 52.037 0.094 0.000 0.667 160 A CB -0.650 18.436 19.000 0.143 0.000 0.826 160 A HN 0.727 8.761 8.150 0.083 0.166 0.472 161 S N -5.601 110.153 115.700 0.090 0.000 2.559 161 S HA 0.109 4.608 4.470 0.048 0.000 0.226 161 S C 0.502 175.145 174.600 0.072 0.000 1.030 161 S CA 0.783 59.024 58.200 0.069 0.000 0.956 161 S CB 1.027 64.266 63.200 0.064 0.000 0.900 161 S HN -0.421 7.829 8.310 0.107 0.125 0.510 162 H N 1.332 120.405 119.070 0.004 0.000 2.388 162 H HA 0.129 4.681 4.556 -0.006 0.000 0.304 162 H C -1.043 174.280 175.328 -0.008 0.000 1.049 162 H CA 0.876 56.920 56.048 -0.007 0.000 1.371 162 H CB 2.188 31.939 29.762 -0.018 0.000 1.436 162 H HN 0.431 8.615 8.280 0.188 0.210 0.544 163 A N -0.654 122.264 122.820 0.163 0.000 2.786 163 A HA 0.423 4.770 4.320 0.045 0.000 0.346 163 A C -1.885 175.726 177.584 0.045 0.000 1.265 163 A CA -3.223 48.869 52.037 0.093 0.000 0.858 163 A CB -0.144 18.932 19.000 0.127 0.000 1.118 163 A HN 0.097 8.148 8.150 0.179 0.206 0.482 164 P HA 0.074 4.501 4.420 0.011 0.000 0.242 164 P C -0.184 177.116 177.300 -0.001 0.000 1.197 164 P CA 0.854 63.958 63.100 0.006 0.000 0.765 164 P CB 0.452 32.149 31.700 -0.004 0.000 0.936 165 S N -2.466 113.236 115.700 0.003 0.000 2.517 165 S HA 0.051 4.518 4.470 -0.005 0.000 0.214 165 S C 0.092 174.696 174.600 0.007 0.000 0.991 165 S CA 0.431 58.632 58.200 0.001 0.000 0.906 165 S CB 0.308 63.509 63.200 0.002 0.000 0.789 165 S HN -0.291 7.953 8.310 0.009 0.072 0.513 166 L N 2.525 123.758 121.223 0.016 0.000 3.108 166 L HA 0.293 4.644 4.340 0.020 0.000 0.251 166 L C 0.215 177.092 176.870 0.012 0.000 1.315 166 L CA -1.354 53.499 54.840 0.022 0.000 1.048 166 L CB -0.089 41.993 42.059 0.039 0.000 1.432 166 L HN -0.607 7.472 8.230 0.022 0.164 0.543 167 L N -1.072 120.142 121.223 -0.015 0.000 1.956 167 L HA -0.337 3.978 4.340 -0.042 0.000 0.216 167 L C 1.391 178.217 176.870 -0.072 0.000 1.073 167 L CA 3.941 58.747 54.840 -0.056 0.000 0.762 167 L CB -1.773 40.234 42.059 -0.086 0.000 0.889 167 L HN -0.095 8.056 8.230 -0.016 0.069 0.433 168 R N -1.670 118.794 120.500 -0.060 0.000 2.096 168 R HA -0.548 3.733 4.340 -0.098 0.000 0.240 168 R C 1.227 177.568 176.300 0.068 0.000 1.139 168 R CA 3.444 59.525 56.100 -0.032 0.000 0.952 168 R CB -0.970 29.318 30.300 -0.021 0.000 0.854 168 R HN 0.170 8.409 8.270 -0.051 0.000 0.436 169 D N -0.820 119.624 120.400 0.072 0.000 2.144 169 D HA -0.252 4.498 4.640 0.182 0.000 0.199 169 D C 1.982 178.343 176.300 0.102 0.000 0.984 169 D CA 2.596 56.662 54.000 0.111 0.000 0.834 169 D CB -0.498 40.344 40.800 0.070 0.000 0.955 169 D HN -0.336 7.996 8.370 0.042 0.064 0.465 170 V N 1.000 120.959 119.914 0.074 0.000 2.231 170 V HA -0.532 3.607 4.120 0.033 0.000 0.250 170 V C 1.462 177.623 176.094 0.113 0.000 1.058 170 V CA 4.631 66.971 62.300 0.066 0.000 1.022 170 V CB -0.231 31.626 31.823 0.056 0.000 0.640 170 V HN 0.564 8.554 8.190 0.049 0.230 0.445 171 F N -1.467 118.432 119.950 -0.085 0.000 2.102 171 F HA -0.404 3.979 4.527 -0.241 0.000 0.298 171 F C 1.914 177.692 175.800 -0.037 0.000 1.105 171 F CA 2.419 60.351 58.000 -0.113 0.000 1.239 171 F CB -0.628 38.335 39.000 -0.060 0.000 0.991 171 F HN -0.647 7.815 8.300 0.270 0.000 0.474 172 H N -1.030 118.094 119.070 0.091 0.000 2.390 172 H HA -0.424 4.136 4.556 0.006 0.000 0.298 172 H C 1.517 176.826 175.328 -0.032 0.000 1.106 172 H CA 2.384 58.442 56.048 0.016 0.000 1.297 172 H CB 0.518 30.293 29.762 0.021 0.000 1.375 172 H HN -0.362 8.056 8.280 0.322 0.056 0.509 173 T N -1.631 112.913 114.554 -0.018 0.000 2.684 173 T HA -0.294 3.927 4.350 -0.215 0.000 0.267 173 T C 1.484 176.077 174.700 -0.178 0.000 1.036 173 T CA 3.938 65.956 62.100 -0.138 0.000 1.148 173 T CB -0.041 68.779 68.868 -0.080 0.000 0.863 173 T HN 0.268 8.323 8.240 0.041 0.210 0.436 174 T N 2.481 116.913 114.554 -0.203 0.000 2.614 174 T HA -0.288 3.907 4.350 -0.239 0.012 0.263 174 T C 2.091 176.738 174.700 -0.088 0.000 1.055 174 T CA 3.298 65.250 62.100 -0.247 0.000 1.162 174 T CB -0.785 67.757 68.868 -0.543 0.000 0.863 174 T HN -0.731 7.305 8.240 -0.205 0.081 0.414 175 V N 1.788 121.665 119.914 -0.061 0.000 3.541 175 V HA -0.213 3.943 4.120 0.060 0.000 0.272 175 V C 0.336 176.503 176.094 0.120 0.000 1.215 175 V CA 1.536 63.858 62.300 0.036 0.000 1.176 175 V CB -1.563 30.260 31.823 0.000 0.000 0.854 175 V HN -0.110 8.008 8.190 -0.119 0.000 0.496 176 N N 1.645 120.405 118.700 0.101 0.000 2.132 176 N HA -0.165 4.648 4.740 0.182 0.036 0.187 176 N C 1.160 176.804 175.510 0.223 0.000 1.038 176 N CA 3.110 56.227 53.050 0.113 0.000 0.846 176 N CB -0.098 38.344 38.487 -0.076 0.000 1.012 176 N HN -0.501 7.709 8.380 0.015 0.179 0.429 177 F N 0.204 120.134 119.950 -0.033 0.000 2.075 177 F HA -0.276 4.220 4.527 -0.051 0.000 0.297 177 F C 2.235 178.044 175.800 0.015 0.000 1.113 177 F CA 1.756 59.742 58.000 -0.023 0.000 1.218 177 F CB -0.412 38.582 39.000 -0.010 0.000 0.984 177 F HN -0.764 7.686 8.300 0.251 0.000 0.472 178 I N -1.765 118.957 120.570 0.253 0.000 2.208 178 I HA -0.559 3.713 4.170 0.170 0.000 0.245 178 I C 0.905 177.125 176.117 0.172 0.000 1.097 178 I CA 3.455 64.874 61.300 0.197 0.000 1.363 178 I CB -0.483 37.649 38.000 0.221 0.000 1.051 178 I HN -0.652 7.713 8.210 0.260 0.000 0.413 179 N N 0.089 118.877 118.700 0.148 0.000 2.120 179 N HA -0.407 4.390 4.740 0.094 0.000 0.188 179 N C 2.121 177.676 175.510 0.075 0.000 1.024 179 N CA 3.085 56.197 53.050 0.103 0.000 0.852 179 N CB -0.171 38.376 38.487 0.099 0.000 1.003 179 N HN -0.493 7.868 8.380 0.156 0.112 0.424 180 Q N -2.340 117.504 119.800 0.073 0.000 2.311 180 Q HA -0.106 4.244 4.340 0.016 0.000 0.203 180 Q C 1.057 177.053 176.000 -0.007 0.000 0.954 180 Q CA 1.409 57.223 55.803 0.018 0.000 0.885 180 Q CB 0.557 29.288 28.738 -0.011 0.000 0.963 180 Q HN 0.108 8.246 8.270 0.107 0.196 0.471 181 N N -1.588 117.122 118.700 0.017 0.000 2.786 181 N HA 0.062 4.786 4.740 -0.026 0.000 0.315 181 N C -1.183 174.364 175.510 0.062 0.000 1.359 181 N CA -1.311 51.745 53.050 0.009 0.000 0.846 181 N CB 2.016 40.502 38.487 -0.001 0.000 1.117 181 N HN 0.176 8.339 8.380 0.060 0.253 0.541 182 L N 0.427 121.695 121.223 0.074 0.000 2.422 182 L HA 0.196 4.602 4.340 0.109 0.000 0.256 182 L C -0.162 176.795 176.870 0.145 0.000 1.202 182 L CA -2.109 52.792 54.840 0.101 0.000 1.119 182 L CB -3.431 38.670 42.059 0.070 0.000 1.383 182 L HN 0.279 8.547 8.230 0.063 0.000 0.411 183 F N 3.364 123.337 119.950 0.039 0.000 2.512 183 F HA -0.535 4.107 4.527 0.040 -0.091 0.233 183 F C -0.960 174.881 175.800 0.068 0.000 1.309 183 F CA 2.178 60.203 58.000 0.041 0.000 1.832 183 F CB -0.627 38.386 39.000 0.021 0.000 0.596 183 F HN -0.558 7.861 8.300 0.251 0.032 0.383 184 S N -0.292 114.795 115.700 -1.022 0.000 2.566 184 S HA 0.099 4.221 4.470 -0.580 0.000 0.324 184 S C -0.213 174.199 174.600 -0.313 0.000 1.081 184 S CA -2.515 55.126 58.200 -0.931 0.000 1.105 184 S CB 0.655 62.922 63.200 -1.555 0.000 0.981 184 S HN -0.347 7.464 8.310 -0.831 0.000 0.464 185 Y N 9.760 129.930 120.300 -0.218 0.000 2.219 185 Y HA -0.343 4.261 4.550 -0.082 -0.103 0.283 185 Y C 0.488 176.331 175.900 -0.096 0.000 1.191 185 Y CA 3.127 61.162 58.100 -0.109 0.000 1.199 185 Y CB -0.299 38.122 38.460 -0.065 0.000 0.972 185 Y HN 0.977 9.292 8.280 0.058 0.000 0.527 186 V N -1.236 118.584 119.914 -0.156 0.000 2.453 186 V HA -0.458 3.498 4.120 -0.274 0.000 0.247 186 V C 2.003 177.991 176.094 -0.177 0.000 1.048 186 V CA 2.927 65.115 62.300 -0.186 0.000 1.049 186 V CB -1.099 30.680 31.823 -0.072 0.000 0.672 186 V HN -0.503 7.614 8.190 -0.081 0.024 0.457 187 R N 0.595 120.994 120.500 -0.168 0.000 2.094 187 R HA -0.375 3.960 4.340 -0.008 0.000 0.239 187 R C 2.035 178.303 176.300 -0.054 0.000 1.137 187 R CA 3.325 59.393 56.100 -0.055 0.000 0.943 187 R CB -0.616 29.711 30.300 0.044 0.000 0.850 187 R HN 0.499 8.497 8.270 -0.259 0.117 0.433 188 N N -0.601 118.042 118.700 -0.094 0.000 2.120 188 N HA -0.282 4.438 4.740 -0.034 0.000 0.188 188 N C 1.892 177.314 175.510 -0.147 0.000 1.024 188 N CA 2.901 55.896 53.050 -0.092 0.000 0.852 188 N CB -0.958 37.473 38.487 -0.093 0.000 1.003 188 N HN -0.501 7.808 8.380 -0.117 0.000 0.424 189 L N 0.880 121.941 121.223 -0.270 0.000 2.043 189 L HA -0.324 3.862 4.340 -0.256 0.000 0.212 189 L C 1.707 178.493 176.870 -0.141 0.000 1.075 189 L CA 3.258 57.934 54.840 -0.273 0.000 0.752 189 L CB -0.261 41.544 42.059 -0.423 0.000 0.891 189 L HN -0.314 7.634 8.230 -0.367 0.062 0.432 190 V N -0.118 119.731 119.914 -0.108 0.000 2.287 190 V HA -0.472 3.618 4.120 -0.051 0.000 0.248 190 V C 1.981 178.053 176.094 -0.036 0.000 1.053 190 V CA 3.864 66.132 62.300 -0.054 0.000 1.027 190 V CB -0.578 31.229 31.823 -0.026 0.000 0.646 190 V HN 0.350 8.281 8.190 -0.122 0.187 0.447 191 R N -1.839 118.641 120.500 -0.034 0.000 2.080 191 R HA -0.378 3.958 4.340 -0.007 0.000 0.236 191 R C 1.651 177.935 176.300 -0.026 0.000 1.137 191 R CA 3.339 59.428 56.100 -0.018 0.000 0.943 191 R CB 0.007 30.301 30.300 -0.010 0.000 0.846 191 R HN -0.398 7.768 8.270 -0.041 0.080 0.431 192 N N -3.177 115.497 118.700 -0.043 0.000 2.061 192 N HA -0.202 4.521 4.740 -0.028 0.000 0.193 192 N C 0.483 175.973 175.510 -0.032 0.000 1.030 192 N CA 2.014 55.040 53.050 -0.040 0.000 0.856 192 N CB 0.187 38.639 38.487 -0.058 0.000 1.023 192 N HN -0.089 8.255 8.380 -0.062 0.000 0.424 193 E N -1.094 119.082 120.200 -0.039 0.000 2.392 193 E HA -0.085 4.251 4.350 -0.024 0.000 0.259 193 E C -0.756 175.834 176.600 -0.018 0.000 1.108 193 E CA 0.338 56.721 56.400 -0.028 0.000 0.916 193 E CB 1.317 30.997 29.700 -0.033 0.000 0.989 193 E HN -0.150 8.067 8.360 -0.054 0.110 0.432 194 M N -0.394 119.199 119.600 -0.012 0.000 4.056 194 M HA -0.310 4.167 4.480 -0.005 0.000 0.157 194 M C -1.994 174.303 176.300 -0.005 0.000 1.531 194 M CA 0.731 56.027 55.300 -0.007 0.000 1.097 194 M CB 0.106 32.703 32.600 -0.005 0.000 1.345 194 M HN 0.188 8.471 8.290 -0.012 0.000 0.190 195 D N 0.000 120.398 120.400 -0.003 0.000 6.856 195 D HA 0.000 4.638 4.640 -0.003 0.000 0.175 195 D CA 0.000 53.999 54.000 -0.002 0.000 0.868 195 D CB 0.000 40.799 40.800 -0.001 0.000 0.688 195 D HN 0.000 8.369 8.370 -0.002 0.000 0.683