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 2l81_1_A DATA FIRST_RESID 1 DATA SEQUENCE MGHHHHHHSH MDKRLFLDPD TAIERLQRLQ QALEMGVSSL MALVTTDWRC DATA SEQUENCE YGYMERHINE IRTAVDKVEL FLKEYLHFVK GAVANAACLP ELILHNKMKR DATA SEQUENCE ELQRVEDSHQ ILSQTSHDLN ECSWSLNILA INKPQNKCDD LDRFVMVAKT DATA SEQUENCE VPDDAKQLTT TINTNAEALF RPGPGS 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 4.544 4.480 0.106 0.000 0.227 1 M C 0.000 176.374 176.300 0.123 0.000 1.140 1 M CA 0.000 55.376 55.300 0.127 0.000 0.988 1 M CB 0.000 32.642 32.600 0.070 0.000 1.302 2 G N 6.281 115.093 108.800 0.021 0.000 2.381 2 G HA2 -0.302 3.503 3.960 -0.258 0.000 0.281 2 G HA3 -0.302 3.658 3.960 0.001 0.000 0.281 2 G C -2.018 172.811 174.900 -0.119 0.000 0.984 2 G CA 0.795 45.834 45.100 -0.103 0.000 1.339 2 G HN 0.021 8.587 8.290 -0.014 -0.284 0.485 3 H N -1.890 117.007 119.070 -0.289 0.000 2.547 3 H HA 0.239 4.767 4.556 -0.047 0.000 0.342 3 H C -2.285 172.820 175.328 -0.372 0.000 1.048 3 H CA -2.408 53.531 56.048 -0.181 0.000 1.204 3 H CB 2.010 31.765 29.762 -0.011 0.000 1.493 3 H HN -0.312 7.454 8.280 -0.858 0.000 0.511 4 H N 2.671 121.795 119.070 0.091 0.000 2.547 4 H HA 0.479 5.084 4.556 -0.107 -0.113 0.342 4 H C -0.236 175.168 175.328 0.127 0.000 1.048 4 H CA -1.043 55.013 56.048 0.013 0.000 1.204 4 H CB 1.671 31.441 29.762 0.014 0.000 1.493 4 H HN 0.477 8.904 8.280 0.244 0.000 0.511 5 H N 1.396 120.599 119.070 0.221 0.000 3.345 5 H HA 0.132 4.793 4.556 0.175 0.000 0.215 5 H C -1.481 173.979 175.328 0.219 0.000 1.368 5 H CA -0.742 55.418 56.048 0.187 0.000 1.211 5 H CB -0.650 29.193 29.762 0.136 0.000 2.467 5 H HN 0.431 8.839 8.280 -0.235 -0.269 0.530 6 H N 3.314 122.450 119.070 0.109 0.000 3.215 6 H HA -0.147 4.485 4.556 0.125 0.000 0.253 6 H C -1.108 174.382 175.328 0.269 0.000 1.102 6 H CA 1.136 57.270 56.048 0.144 0.000 1.482 6 H CB -1.364 28.452 29.762 0.090 0.000 1.542 6 H HN -0.082 8.359 8.280 0.268 0.000 0.498 7 H N 7.064 126.038 119.070 -0.161 0.000 2.990 7 H HA 0.021 4.470 4.556 -0.180 0.000 0.336 7 H C -0.299 175.043 175.328 0.024 0.000 1.306 7 H CA 0.387 56.380 56.048 -0.091 0.000 1.118 7 H CB 2.351 32.146 29.762 0.054 0.000 1.856 7 H HN -0.090 8.237 8.280 0.078 0.000 0.538 8 H N -0.748 118.015 119.070 -0.512 0.000 4.843 8 H HA -0.344 4.026 4.556 -0.311 0.000 0.075 8 H C -1.303 174.006 175.328 -0.033 0.000 0.584 8 H CA 1.411 57.331 56.048 -0.214 0.000 1.038 8 H CB -0.455 29.309 29.762 0.003 0.000 0.452 8 H HN 0.433 7.957 8.280 -1.260 0.000 0.765 9 S N -1.206 114.566 115.700 0.120 0.000 2.499 9 S HA -0.019 4.722 4.470 0.272 -0.109 0.275 9 S C -0.210 174.472 174.600 0.135 0.000 1.257 9 S CA 0.274 58.581 58.200 0.178 0.000 1.050 9 S CB 0.789 64.120 63.200 0.218 0.000 0.937 9 S HN -0.434 7.828 8.310 0.072 0.092 0.490 10 H N 2.728 121.786 119.070 -0.020 0.000 3.049 10 H HA 0.258 4.841 4.556 0.046 0.000 0.212 10 H C 0.166 175.517 175.328 0.038 0.000 0.894 10 H CA 0.628 56.675 56.048 -0.001 0.000 0.968 10 H CB 1.243 30.965 29.762 -0.067 0.000 1.271 10 H HN 0.372 8.902 8.280 0.029 -0.232 0.531 11 M N -1.756 117.578 119.600 -0.443 0.000 2.687 11 M HA 0.248 4.672 4.480 -0.092 0.000 0.413 11 M C -1.066 175.118 176.300 -0.194 0.000 1.216 11 M CA -0.272 54.871 55.300 -0.261 0.000 0.871 11 M CB 0.443 32.867 32.600 -0.293 0.000 1.481 11 M HN -0.467 7.360 8.290 -0.772 0.000 0.521 12 D N 5.321 125.626 120.400 -0.158 0.000 2.368 12 D HA 0.030 4.613 4.640 -0.095 0.000 0.240 12 D C -0.266 175.977 176.300 -0.095 0.000 1.169 12 D CA 0.430 54.370 54.000 -0.101 0.000 0.906 12 D CB 0.685 41.449 40.800 -0.060 0.000 1.187 12 D HN -0.173 8.107 8.370 -0.150 0.000 0.435 13 K N 1.207 121.556 120.400 -0.084 0.000 3.216 13 K HA -0.078 4.198 4.320 -0.074 0.000 0.277 13 K C -0.576 175.942 176.600 -0.138 0.000 1.246 13 K CA 0.218 56.454 56.287 -0.085 0.000 1.227 13 K CB -1.844 30.623 32.500 -0.054 0.000 1.487 13 K HN 0.437 8.646 8.250 -0.068 0.000 0.341 14 R N -4.980 115.403 120.500 -0.196 0.000 3.067 14 R HA 0.082 4.369 4.340 -0.280 -0.115 0.276 14 R C -2.539 173.565 176.300 -0.326 0.000 0.940 14 R CA -0.663 55.259 56.100 -0.296 0.000 0.816 14 R CB 1.306 31.370 30.300 -0.393 0.000 1.501 14 R HN -0.281 7.802 8.270 -0.175 0.082 0.478 15 L N -5.363 115.620 121.223 -0.400 0.000 2.528 15 L HA 0.369 4.618 4.340 -0.152 0.000 0.267 15 L C -1.388 175.377 176.870 -0.174 0.000 0.961 15 L CA -0.125 54.560 54.840 -0.258 0.000 0.866 15 L CB 1.743 43.605 42.059 -0.329 0.000 1.248 15 L HN -0.123 7.973 8.230 -0.458 -0.142 0.404 16 F N 3.598 123.641 119.950 0.155 0.000 2.334 16 F HA 0.258 4.948 4.527 0.272 0.000 0.367 16 F C -0.859 175.061 175.800 0.200 0.000 1.115 16 F CA -0.510 57.606 58.000 0.194 0.000 1.116 16 F CB 0.772 39.858 39.000 0.143 0.000 1.230 16 F HN -0.284 8.110 8.300 0.156 0.000 0.484 17 L N -3.190 118.210 121.223 0.295 0.000 2.600 17 L HA 0.497 4.927 4.340 0.150 0.000 0.257 17 L C -2.046 174.778 176.870 -0.076 0.000 1.048 17 L CA -2.356 52.537 54.840 0.088 0.000 0.869 17 L CB 3.055 45.118 42.059 0.008 0.000 1.482 17 L HN -0.374 8.062 8.230 0.344 0.000 0.408 18 D N -0.215 120.073 120.400 -0.187 0.000 2.488 18 D HA 0.088 4.733 4.640 0.008 0.000 0.238 18 D C -0.024 176.144 176.300 -0.219 0.000 1.138 18 D CA -0.277 53.617 54.000 -0.177 0.000 0.873 18 D CB 1.145 41.715 40.800 -0.384 0.000 1.183 18 D HN 0.066 8.295 8.370 -0.234 0.000 0.458 19 P HA -0.208 4.260 4.420 0.080 0.000 0.216 19 P C 0.899 178.144 177.300 -0.092 0.000 1.150 19 P CA 2.422 65.548 63.100 0.044 0.000 0.837 19 P CB 0.282 32.103 31.700 0.201 0.000 0.786 20 D N -1.966 118.299 120.400 -0.225 0.000 2.097 20 D HA -0.304 4.244 4.640 -0.153 0.000 0.195 20 D C 2.228 178.365 176.300 -0.271 0.000 0.989 20 D CA 4.454 58.282 54.000 -0.287 0.000 0.827 20 D CB -1.176 39.300 40.800 -0.540 0.000 0.966 20 D HN 0.395 8.600 8.370 -0.276 0.000 0.456 21 T N 2.287 116.629 114.554 -0.352 0.000 2.777 21 T HA -0.327 3.965 4.350 -0.096 0.000 0.266 21 T C 1.505 176.123 174.700 -0.138 0.000 1.040 21 T CA 4.205 66.190 62.100 -0.191 0.000 1.141 21 T CB -0.065 68.720 68.868 -0.139 0.000 0.868 21 T HN -0.213 7.674 8.240 -0.457 0.079 0.444 22 A N 1.427 124.106 122.820 -0.235 0.000 1.940 22 A HA -0.288 4.008 4.320 -0.040 0.000 0.219 22 A C 1.712 179.265 177.584 -0.052 0.000 1.176 22 A CA 3.172 55.091 52.037 -0.196 0.000 0.631 22 A CB -1.016 17.569 19.000 -0.691 0.000 0.814 22 A HN 0.279 8.235 8.150 -0.322 0.000 0.446 23 I N -1.212 119.325 120.570 -0.055 0.000 2.099 23 I HA -0.483 3.980 4.170 0.020 -0.280 0.239 23 I C 2.035 178.121 176.117 -0.052 0.000 1.066 23 I CA 3.730 65.018 61.300 -0.019 0.000 1.324 23 I CB -0.094 37.899 38.000 -0.011 0.000 1.037 23 I HN -0.696 7.447 8.210 -0.088 0.014 0.401 24 E N -0.856 119.310 120.200 -0.057 0.000 2.077 24 E HA -0.413 3.906 4.350 -0.052 0.000 0.193 24 E C 2.446 178.973 176.600 -0.122 0.000 0.989 24 E CA 3.130 59.494 56.400 -0.061 0.000 0.800 24 E CB -0.733 28.955 29.700 -0.020 0.000 0.746 24 E HN -0.632 7.697 8.360 -0.052 0.000 0.452 25 R N -0.798 119.599 120.500 -0.172 0.000 2.096 25 R HA -0.318 3.866 4.340 -0.259 0.000 0.240 25 R C 2.756 178.737 176.300 -0.531 0.000 1.139 25 R CA 2.614 58.509 56.100 -0.342 0.000 0.952 25 R CB -0.517 29.558 30.300 -0.375 0.000 0.854 25 R HN -0.292 7.905 8.270 -0.122 0.000 0.436 26 L N -0.388 120.536 121.223 -0.499 0.000 2.109 26 L HA -0.241 3.734 4.340 -0.607 0.000 0.207 26 L C 1.678 178.470 176.870 -0.130 0.000 1.086 26 L CA 2.440 57.054 54.840 -0.376 0.000 0.760 26 L CB -0.428 41.557 42.059 -0.123 0.000 0.910 26 L HN -0.020 8.007 8.230 -0.338 0.000 0.437 27 Q N -1.322 118.417 119.800 -0.100 0.000 2.061 27 Q HA -0.406 3.917 4.340 -0.028 0.000 0.204 27 Q C 2.851 178.806 176.000 -0.076 0.000 0.984 27 Q CA 3.386 59.154 55.803 -0.059 0.000 0.846 27 Q CB -0.610 28.098 28.738 -0.050 0.000 0.902 27 Q HN 0.194 8.327 8.270 -0.113 0.069 0.421 28 R N -1.052 119.385 120.500 -0.106 0.000 2.091 28 R HA -0.286 3.999 4.340 -0.091 0.000 0.238 28 R C 2.723 178.964 176.300 -0.098 0.000 1.136 28 R CA 3.282 59.321 56.100 -0.102 0.000 0.959 28 R CB -0.236 30.000 30.300 -0.106 0.000 0.856 28 R HN 0.076 8.269 8.270 -0.128 0.000 0.437 29 L N -1.416 119.756 121.223 -0.086 0.000 2.056 29 L HA -0.379 3.962 4.340 0.002 0.000 0.207 29 L C 1.991 178.853 176.870 -0.012 0.000 1.078 29 L CA 2.791 57.633 54.840 0.004 0.000 0.749 29 L CB -0.648 41.467 42.059 0.093 0.000 0.901 29 L HN -0.595 7.552 8.230 -0.139 0.000 0.433 30 Q N -0.667 119.126 119.800 -0.011 0.000 2.014 30 Q HA -0.452 3.773 4.340 -0.192 0.000 0.207 30 Q C 2.466 178.378 176.000 -0.147 0.000 0.993 30 Q CA 3.142 58.887 55.803 -0.097 0.000 0.850 30 Q CB -0.532 28.180 28.738 -0.043 0.000 0.916 30 Q HN -0.017 8.266 8.270 0.022 0.000 0.417 31 Q N -1.600 118.122 119.800 -0.131 0.000 2.084 31 Q HA -0.268 4.151 4.340 -0.138 -0.162 0.202 31 Q C 2.602 178.456 176.000 -0.243 0.000 0.978 31 Q CA 2.301 58.012 55.803 -0.153 0.000 0.844 31 Q CB -0.473 28.192 28.738 -0.120 0.000 0.898 31 Q HN -0.324 7.885 8.270 -0.102 0.000 0.426 32 A N 0.109 122.748 122.820 -0.301 0.000 1.908 32 A HA -0.273 3.691 4.320 -0.595 0.000 0.218 32 A C 2.243 179.298 177.584 -0.882 0.000 1.181 32 A CA 2.925 54.601 52.037 -0.601 0.000 0.627 32 A CB -0.777 17.936 19.000 -0.477 0.000 0.818 32 A HN 0.040 8.060 8.150 -0.217 0.000 0.445 33 L N -1.067 119.881 121.223 -0.458 0.000 2.017 33 L HA -0.368 3.876 4.340 -0.160 0.000 0.208 33 L C 1.588 178.325 176.870 -0.220 0.000 1.073 33 L CA 3.184 57.868 54.840 -0.261 0.000 0.745 33 L CB -0.294 41.650 42.059 -0.192 0.000 0.894 33 L HN 0.156 8.202 8.230 -0.307 0.000 0.432 34 E N -1.274 118.798 120.200 -0.214 0.000 2.153 34 E HA -0.472 3.810 4.350 -0.114 0.000 0.194 34 E C 2.559 179.074 176.600 -0.142 0.000 0.988 34 E CA 3.208 59.519 56.400 -0.148 0.000 0.811 34 E CB -0.209 29.414 29.700 -0.128 0.000 0.746 34 E HN -0.390 7.833 8.360 -0.227 0.000 0.466 35 M N -0.998 118.469 119.600 -0.221 0.000 2.132 35 M HA -0.323 4.088 4.480 -0.115 0.000 0.263 35 M C 2.661 178.901 176.300 -0.101 0.000 1.065 35 M CA 3.773 58.964 55.300 -0.182 0.000 1.122 35 M CB -0.225 32.222 32.600 -0.254 0.000 1.365 35 M HN 0.082 8.094 8.290 -0.302 0.096 0.411 36 G N -0.600 108.129 108.800 -0.119 0.000 2.421 36 G HA2 -0.308 3.806 3.960 0.257 0.000 0.216 36 G HA3 -0.308 3.884 3.960 0.387 0.000 0.216 36 G C 1.086 176.058 174.900 0.121 0.000 1.171 36 G CA 2.166 47.370 45.100 0.173 0.000 0.775 36 G HN -0.287 7.712 8.290 -0.362 0.073 0.543 37 V N 1.910 121.857 119.914 0.053 0.000 2.343 37 V HA -0.492 3.673 4.120 0.076 0.000 0.247 37 V C 1.685 177.801 176.094 0.037 0.000 1.051 37 V CA 4.057 66.382 62.300 0.041 0.000 1.036 37 V CB -0.442 31.376 31.823 -0.010 0.000 0.654 37 V HN 0.067 8.261 8.190 0.007 0.000 0.451 38 S N -0.507 115.197 115.700 0.007 0.000 2.370 38 S HA -0.442 4.032 4.470 0.006 0.000 0.226 38 S C 2.219 176.834 174.600 0.025 0.000 1.033 38 S CA 3.787 61.990 58.200 0.005 0.000 1.011 38 S CB -0.542 62.647 63.200 -0.019 0.000 0.852 38 S HN 0.264 8.453 8.310 -0.018 0.110 0.457 39 S N 2.648 118.370 115.700 0.036 0.000 2.374 39 S HA -0.341 4.141 4.470 0.020 0.000 0.227 39 S C 1.923 176.557 174.600 0.055 0.000 1.037 39 S CA 3.945 62.170 58.200 0.041 0.000 1.024 39 S CB -0.185 63.054 63.200 0.064 0.000 0.861 39 S HN -0.223 8.108 8.310 0.034 0.000 0.456 40 L N 1.211 122.493 121.223 0.098 0.000 2.056 40 L HA -0.248 4.179 4.340 0.144 0.000 0.207 40 L C 1.255 178.197 176.870 0.120 0.000 1.078 40 L CA 3.065 57.991 54.840 0.144 0.000 0.749 40 L CB -0.148 42.042 42.059 0.218 0.000 0.901 40 L HN -0.674 7.539 8.230 0.105 0.079 0.433 41 M N -2.512 117.138 119.600 0.084 0.000 2.159 41 M HA -0.384 4.135 4.480 0.065 0.000 0.263 41 M C 2.085 178.418 176.300 0.054 0.000 1.063 41 M CA 1.598 56.933 55.300 0.058 0.000 1.110 41 M CB -1.287 31.332 32.600 0.032 0.000 1.374 41 M HN -0.100 8.160 8.290 0.073 0.074 0.411 42 A N -2.098 120.752 122.820 0.050 0.000 1.930 42 A HA -0.211 4.141 4.320 0.055 0.000 0.217 42 A C 1.234 178.880 177.584 0.103 0.000 1.175 42 A CA 2.519 54.590 52.037 0.055 0.000 0.627 42 A CB -0.436 18.580 19.000 0.027 0.000 0.815 42 A HN -0.073 8.091 8.150 0.043 0.011 0.443 43 L N -5.664 115.603 121.223 0.074 0.000 2.179 43 L HA -0.158 4.224 4.340 0.071 0.000 0.208 43 L C 0.766 177.807 176.870 0.285 0.000 1.096 43 L CA 1.753 56.656 54.840 0.105 0.000 0.779 43 L CB 0.626 42.671 42.059 -0.023 0.000 0.922 43 L HN -0.839 7.340 8.230 0.051 0.081 0.443 44 V N -2.542 117.472 119.914 0.166 0.000 2.184 44 V HA 0.044 4.186 4.120 0.037 0.000 0.262 44 V C -1.009 175.075 176.094 -0.017 0.000 1.209 44 V CA -0.599 61.729 62.300 0.046 0.000 1.070 44 V CB -1.176 30.650 31.823 0.005 0.000 1.244 44 V HN -0.104 8.083 8.190 0.131 0.081 0.477 45 T N 3.983 118.534 114.554 -0.004 0.000 3.069 45 T HA 0.131 4.441 4.350 -0.066 0.000 0.252 45 T C -0.514 174.066 174.700 -0.200 0.000 1.053 45 T CA 0.169 62.212 62.100 -0.094 0.000 0.964 45 T CB 0.587 69.406 68.868 -0.082 0.000 1.005 45 T HN -0.177 8.135 8.240 0.121 0.000 0.532 46 T N -0.997 113.402 114.554 -0.258 0.000 2.711 46 T HA 0.060 4.275 4.350 -0.225 0.000 0.302 46 T C -2.123 172.359 174.700 -0.364 0.000 1.373 46 T CA -0.908 61.024 62.100 -0.280 0.000 1.000 46 T CB 1.305 69.984 68.868 -0.315 0.000 1.483 46 T HN -0.854 7.176 8.240 -0.238 0.067 0.499 47 D N 0.240 120.467 120.400 -0.288 0.000 2.344 47 D HA 0.023 4.326 4.640 -0.562 0.000 0.244 47 D C 1.756 177.900 176.300 -0.259 0.000 1.134 47 D CA -0.297 53.501 54.000 -0.337 0.000 0.930 47 D CB 1.192 41.919 40.800 -0.123 0.000 1.175 47 D HN 0.080 8.329 8.370 -0.202 0.000 0.437 48 W N 0.344 121.694 121.300 0.083 0.000 2.611 48 W HA -0.209 4.525 4.660 0.123 0.000 0.251 48 W C 1.236 177.815 176.519 0.100 0.000 1.265 48 W CA 1.265 58.670 57.345 0.100 0.000 1.295 48 W CB -0.376 29.135 29.460 0.086 0.000 1.129 48 W HN 0.476 8.462 8.180 -0.323 0.000 0.630 49 R N -1.844 118.790 120.500 0.224 0.000 2.211 49 R HA -0.339 4.111 4.340 0.183 0.000 0.240 49 R C 0.672 177.070 176.300 0.163 0.000 1.144 49 R CA 1.956 58.155 56.100 0.166 0.000 0.992 49 R CB -0.675 29.684 30.300 0.097 0.000 0.869 49 R HN -0.400 8.223 8.270 0.166 -0.254 0.462 50 C N 1.429 120.823 119.300 0.158 0.000 2.145 50 C HA 0.028 4.578 4.460 0.151 0.000 0.374 50 C C -0.386 174.742 174.990 0.231 0.000 1.035 50 C CA -1.358 57.758 59.018 0.164 0.000 1.431 50 C CB -0.297 27.505 27.740 0.103 0.000 1.789 50 C HN -0.555 7.702 8.230 0.141 0.057 0.483 51 Y N 9.093 129.465 120.300 0.120 0.000 2.165 51 Y HA -0.374 4.259 4.550 0.138 0.000 0.286 51 Y C 1.328 177.283 175.900 0.092 0.000 1.155 51 Y CA 4.363 62.529 58.100 0.111 0.000 1.164 51 Y CB 0.168 38.675 38.460 0.079 0.000 0.978 51 Y HN -0.464 8.012 8.280 0.327 0.000 0.513 52 G N -2.213 106.723 108.800 0.226 0.000 2.476 52 G HA2 -0.492 3.542 3.960 0.122 0.000 0.218 52 G HA3 -0.492 3.554 3.960 0.143 0.000 0.218 52 G C 0.829 175.734 174.900 0.009 0.000 1.164 52 G CA 1.739 46.909 45.100 0.116 0.000 0.768 52 G HN 0.078 8.547 8.290 0.298 0.000 0.560 53 Y N 2.939 123.195 120.300 -0.073 0.000 2.184 53 Y HA -0.292 4.143 4.550 -0.193 0.000 0.290 53 Y C 2.195 177.995 175.900 -0.167 0.000 1.129 53 Y CA 2.861 60.874 58.100 -0.146 0.000 1.144 53 Y CB 0.422 38.813 38.460 -0.114 0.000 0.995 53 Y HN -0.751 7.652 8.280 0.204 0.000 0.513 54 M N 1.161 120.743 119.600 -0.030 0.000 2.080 54 M HA -0.442 4.038 4.480 0.001 0.000 0.260 54 M C 2.045 178.249 176.300 -0.160 0.000 1.068 54 M CA 2.223 57.510 55.300 -0.021 0.000 1.109 54 M CB -0.356 32.353 32.600 0.181 0.000 1.342 54 M HN 0.132 8.506 8.290 0.139 0.000 0.405 55 E N -1.567 118.443 120.200 -0.317 0.000 2.160 55 E HA -0.385 3.803 4.350 -0.270 0.000 0.195 55 E C 2.129 178.598 176.600 -0.218 0.000 0.991 55 E CA 2.784 58.979 56.400 -0.342 0.000 0.810 55 E CB -0.240 29.115 29.700 -0.574 0.000 0.742 55 E HN 0.117 8.242 8.360 -0.392 0.000 0.466 56 R N -3.313 117.025 120.500 -0.270 0.000 2.313 56 R HA -0.077 4.173 4.340 -0.151 0.000 0.199 56 R C 1.135 177.327 176.300 -0.180 0.000 0.958 56 R CA 1.463 57.415 56.100 -0.246 0.000 1.047 56 R CB 0.194 30.306 30.300 -0.314 0.000 0.955 56 R HN -0.572 7.372 8.270 -0.326 0.130 0.481 57 H N -2.853 116.057 119.070 -0.267 0.000 3.078 57 H HA 0.171 4.776 4.556 -0.194 -0.166 0.263 57 H C -0.335 174.911 175.328 -0.137 0.000 1.177 57 H CA -1.296 54.619 56.048 -0.221 0.000 1.128 57 H CB 1.491 31.072 29.762 -0.302 0.000 1.623 57 H HN -0.289 7.678 8.280 -0.193 0.198 0.592 58 I N 1.192 121.757 120.570 -0.008 0.000 2.361 58 I HA -0.426 3.782 4.170 0.064 0.000 0.251 58 I C 0.194 176.217 176.117 -0.157 0.000 1.133 58 I CA 1.588 62.878 61.300 -0.017 0.000 1.413 58 I CB 0.181 38.179 38.000 -0.004 0.000 1.073 58 I HN -0.794 7.282 8.210 -0.045 0.107 0.424 59 N N -1.547 117.061 118.700 -0.154 0.000 2.197 59 N HA -0.163 4.399 4.740 -0.296 0.000 0.184 59 N C 1.497 176.857 175.510 -0.250 0.000 1.030 59 N CA 3.194 56.112 53.050 -0.219 0.000 0.851 59 N CB -0.803 37.598 38.487 -0.142 0.000 1.003 59 N HN 0.255 8.550 8.380 -0.098 0.026 0.430 60 E N -0.375 119.716 120.200 -0.181 0.000 2.274 60 E HA -0.217 4.031 4.350 -0.169 0.000 0.194 60 E C 1.966 178.452 176.600 -0.190 0.000 0.996 60 E CA 2.410 58.703 56.400 -0.179 0.000 0.840 60 E CB -0.933 28.662 29.700 -0.174 0.000 0.772 60 E HN 0.168 8.446 8.360 -0.136 0.000 0.491 61 I N 0.863 121.321 120.570 -0.188 0.000 2.394 61 I HA -0.377 3.758 4.170 -0.058 0.000 0.251 61 I C 0.459 176.422 176.117 -0.257 0.000 1.136 61 I CA 2.863 64.089 61.300 -0.122 0.000 1.425 61 I CB 0.003 38.025 38.000 0.036 0.000 1.079 61 I HN 0.070 8.155 8.210 -0.171 0.022 0.425 62 R N -1.103 119.058 120.500 -0.566 0.000 2.081 62 R HA -0.396 3.415 4.340 -0.882 0.000 0.235 62 R C 2.423 178.534 176.300 -0.314 0.000 1.131 62 R CA 4.026 59.688 56.100 -0.729 0.000 0.960 62 R CB -0.338 29.372 30.300 -0.983 0.000 0.856 62 R HN -0.613 7.298 8.270 -0.570 0.016 0.436 63 T N 1.945 116.358 114.554 -0.234 0.000 2.746 63 T HA -0.357 3.919 4.350 -0.123 0.000 0.267 63 T C 1.797 176.464 174.700 -0.055 0.000 1.039 63 T CA 4.252 66.275 62.100 -0.128 0.000 1.142 63 T CB -0.259 68.543 68.868 -0.111 0.000 0.866 63 T HN -0.710 7.369 8.240 -0.269 0.000 0.444 64 A N 2.013 124.813 122.820 -0.034 0.000 1.877 64 A HA -0.360 4.003 4.320 0.072 0.000 0.216 64 A C 1.449 179.117 177.584 0.139 0.000 1.186 64 A CA 3.237 55.310 52.037 0.059 0.000 0.620 64 A CB -0.899 18.140 19.000 0.066 0.000 0.822 64 A HN -0.324 7.778 8.150 -0.079 0.000 0.443 65 V N -0.851 119.137 119.914 0.123 0.000 2.282 65 V HA -0.622 3.779 4.120 0.468 0.000 0.249 65 V C 1.610 177.823 176.094 0.199 0.000 1.057 65 V CA 4.911 67.333 62.300 0.203 0.000 1.032 65 V CB -0.425 31.382 31.823 -0.026 0.000 0.645 65 V HN 0.082 8.296 8.190 0.039 0.000 0.447 66 D N -1.646 118.796 120.400 0.069 0.000 2.149 66 D HA -0.373 4.308 4.640 0.068 0.000 0.198 66 D C 2.163 178.464 176.300 0.001 0.000 0.990 66 D CA 3.586 57.606 54.000 0.034 0.000 0.839 66 D CB 0.032 40.812 40.800 -0.033 0.000 0.948 66 D HN -0.072 8.302 8.370 0.006 0.000 0.460 67 K N -1.005 119.402 120.400 0.011 0.000 2.001 67 K HA -0.243 3.893 4.320 -0.306 0.000 0.208 67 K C 2.485 179.140 176.600 0.091 0.000 1.048 67 K CA 2.642 58.902 56.287 -0.044 0.000 0.932 67 K CB -0.366 32.221 32.500 0.146 0.000 0.715 67 K HN -0.190 7.966 8.250 0.044 0.120 0.437 68 V N 0.542 120.594 119.914 0.229 0.000 2.252 68 V HA -0.509 3.782 4.120 0.284 0.000 0.249 68 V C 2.309 178.517 176.094 0.190 0.000 1.056 68 V CA 4.797 67.245 62.300 0.247 0.000 1.022 68 V CB -0.408 31.564 31.823 0.249 0.000 0.641 68 V HN 0.287 8.619 8.190 0.236 0.000 0.445 69 E N -1.528 118.800 120.200 0.215 0.000 2.085 69 E HA -0.332 4.173 4.350 0.258 0.000 0.194 69 E C 2.692 179.333 176.600 0.067 0.000 0.994 69 E CA 2.853 59.378 56.400 0.209 0.000 0.801 69 E CB -0.282 29.578 29.700 0.268 0.000 0.743 69 E HN -0.419 8.102 8.360 0.269 0.000 0.453 70 L N 0.473 121.672 121.223 -0.041 0.000 1.961 70 L HA -0.342 3.934 4.340 -0.106 0.000 0.210 70 L C 1.394 178.168 176.870 -0.160 0.000 1.072 70 L CA 3.290 58.018 54.840 -0.187 0.000 0.749 70 L CB -0.548 41.257 42.059 -0.423 0.000 0.889 70 L HN 0.043 8.066 8.230 -0.037 0.185 0.432 71 F N -3.149 116.815 119.950 0.023 0.000 2.161 71 F HA -0.241 4.304 4.527 0.030 0.000 0.300 71 F C 2.761 178.575 175.800 0.024 0.000 1.089 71 F CA 3.455 61.467 58.000 0.019 0.000 1.282 71 F CB -1.182 37.817 39.000 -0.001 0.000 1.010 71 F HN 0.123 8.212 8.300 -0.352 0.000 0.485 72 L N -0.648 120.661 121.223 0.142 0.000 2.056 72 L HA -0.334 4.043 4.340 0.061 0.000 0.207 72 L C 1.547 178.386 176.870 -0.052 0.000 1.078 72 L CA 3.282 58.135 54.840 0.021 0.000 0.749 72 L CB -0.420 41.597 42.059 -0.070 0.000 0.901 72 L HN -0.086 8.231 8.230 0.145 0.000 0.433 73 K N -0.211 120.107 120.400 -0.136 0.000 2.025 73 K HA -0.354 3.815 4.320 -0.252 0.000 0.207 73 K C 2.355 178.985 176.600 0.051 0.000 1.049 73 K CA 3.243 59.459 56.287 -0.119 0.000 0.933 73 K CB -0.449 32.022 32.500 -0.048 0.000 0.714 73 K HN 0.074 8.084 8.250 -0.097 0.181 0.438 74 E N -1.260 118.994 120.200 0.090 0.000 2.150 74 E HA -0.294 4.149 4.350 0.154 0.000 0.193 74 E C 2.435 179.184 176.600 0.248 0.000 0.985 74 E CA 2.664 59.162 56.400 0.164 0.000 0.814 74 E CB -0.186 29.595 29.700 0.136 0.000 0.752 74 E HN 0.037 8.433 8.360 0.060 0.000 0.466 75 Y N 1.175 121.538 120.300 0.105 0.000 2.114 75 Y HA -0.427 4.179 4.550 0.094 0.000 0.284 75 Y C 1.391 177.368 175.900 0.128 0.000 1.143 75 Y CA 3.699 61.856 58.100 0.096 0.000 1.135 75 Y CB 0.151 38.639 38.460 0.046 0.000 0.980 75 Y HN -0.094 8.265 8.280 0.305 0.105 0.499 76 L N -2.667 118.653 121.223 0.162 0.000 2.042 76 L HA -0.584 3.765 4.340 0.016 0.000 0.210 76 L C 2.025 178.934 176.870 0.064 0.000 1.076 76 L CA 3.440 58.323 54.840 0.072 0.000 0.749 76 L CB -0.639 41.470 42.059 0.083 0.000 0.893 76 L HN 0.106 8.478 8.230 0.235 0.000 0.432 77 H N -0.860 118.228 119.070 0.029 0.000 2.422 77 H HA -0.347 4.215 4.556 0.010 0.000 0.298 77 H C 1.966 177.311 175.328 0.029 0.000 1.098 77 H CA 3.758 59.825 56.048 0.030 0.000 1.315 77 H CB 0.428 30.222 29.762 0.052 0.000 1.382 77 H HN -0.047 8.371 8.280 0.230 0.000 0.523 78 F N -0.886 118.951 119.950 -0.187 0.000 2.164 78 F HA -0.128 4.208 4.527 -0.320 0.000 0.287 78 F C 1.095 176.752 175.800 -0.239 0.000 1.086 78 F CA 2.873 60.721 58.000 -0.253 0.000 1.249 78 F CB 1.020 39.902 39.000 -0.196 0.000 1.059 78 F HN -0.687 7.573 8.300 0.167 0.140 0.490 79 V N -1.791 118.072 119.914 -0.086 0.000 2.407 79 V HA -0.530 3.552 4.120 -0.063 0.000 0.248 79 V C 1.447 177.455 176.094 -0.143 0.000 1.055 79 V CA 4.096 66.312 62.300 -0.141 0.000 1.049 79 V CB -0.649 31.020 31.823 -0.257 0.000 0.662 79 V HN 0.174 8.284 8.190 -0.134 0.000 0.455 80 K N -0.198 120.124 120.400 -0.130 0.000 2.103 80 K HA -0.400 3.870 4.320 -0.083 0.000 0.207 80 K C 2.378 178.886 176.600 -0.154 0.000 1.048 80 K CA 3.744 59.967 56.287 -0.107 0.000 0.930 80 K CB -0.599 31.863 32.500 -0.062 0.000 0.716 80 K HN 0.183 8.364 8.250 -0.115 0.000 0.444 81 G N -1.859 106.793 108.800 -0.246 0.000 2.402 81 G HA2 -0.194 3.616 3.960 -0.249 0.000 0.216 81 G HA3 -0.194 3.527 3.960 -0.397 0.000 0.216 81 G C 0.719 175.459 174.900 -0.266 0.000 1.162 81 G CA 1.575 46.496 45.100 -0.298 0.000 0.777 81 G HN -0.646 7.376 8.290 -0.283 0.098 0.539 82 A N 2.521 125.193 122.820 -0.247 0.000 1.877 82 A HA -0.335 3.884 4.320 -0.169 0.000 0.216 82 A C 1.898 179.385 177.584 -0.162 0.000 1.186 82 A CA 2.736 54.675 52.037 -0.163 0.000 0.620 82 A CB -0.436 18.542 19.000 -0.037 0.000 0.822 82 A HN -0.446 7.447 8.150 -0.302 0.076 0.443 83 V N -1.179 118.668 119.914 -0.112 0.000 2.469 83 V HA -0.404 3.688 4.120 -0.046 0.000 0.251 83 V C 2.211 178.328 176.094 0.037 0.000 1.064 83 V CA 3.128 65.395 62.300 -0.055 0.000 1.066 83 V CB -1.118 30.646 31.823 -0.098 0.000 0.667 83 V HN 0.200 8.319 8.190 -0.119 0.000 0.461 84 A N -1.477 121.313 122.820 -0.050 0.000 1.902 84 A HA -0.299 4.022 4.320 0.003 0.000 0.217 84 A C 2.495 180.018 177.584 -0.102 0.000 1.181 84 A CA 3.248 55.248 52.037 -0.062 0.000 0.623 84 A CB -0.455 18.469 19.000 -0.126 0.000 0.818 84 A HN -0.042 7.952 8.150 -0.100 0.096 0.443 85 N N -0.822 117.774 118.700 -0.173 0.000 2.270 85 N HA -0.219 4.430 4.740 -0.151 0.000 0.181 85 N C 1.960 177.393 175.510 -0.129 0.000 1.016 85 N CA 2.218 55.154 53.050 -0.190 0.000 0.870 85 N CB -0.567 37.725 38.487 -0.324 0.000 0.979 85 N HN -0.595 7.566 8.380 -0.202 0.098 0.431 86 A N -0.565 122.203 122.820 -0.086 0.000 2.076 86 A HA -0.232 4.047 4.320 -0.069 0.000 0.220 86 A C 0.978 178.540 177.584 -0.036 0.000 1.160 86 A CA 2.413 54.446 52.037 -0.007 0.000 0.653 86 A CB -0.910 18.154 19.000 0.107 0.000 0.801 86 A HN 0.109 8.118 8.150 -0.089 0.087 0.455 87 A N -2.994 119.747 122.820 -0.132 0.000 2.209 87 A HA -0.060 3.923 4.320 -0.563 0.000 0.212 87 A C 0.502 177.987 177.584 -0.166 0.000 1.158 87 A CA 1.222 53.061 52.037 -0.330 0.000 0.742 87 A CB -0.577 18.222 19.000 -0.335 0.000 0.790 87 A HN -0.511 7.446 8.150 -0.059 0.157 0.472 88 C N -3.393 115.853 119.300 -0.090 0.000 2.791 88 C HA 0.061 4.494 4.460 -0.045 0.000 0.270 88 C C 0.008 174.975 174.990 -0.038 0.000 1.257 88 C CA -1.545 57.448 59.018 -0.043 0.000 1.699 88 C CB 0.106 27.852 27.740 0.011 0.000 1.904 88 C HN -0.234 7.759 8.230 -0.083 0.187 0.603 89 L N 3.822 125.015 121.223 -0.051 0.000 2.371 89 L HA 0.222 4.546 4.340 -0.027 0.000 0.272 89 L C -0.681 176.170 176.870 -0.031 0.000 1.124 89 L CA -1.533 53.286 54.840 -0.035 0.000 0.816 89 L CB -0.362 41.679 42.059 -0.029 0.000 1.129 89 L HN -0.923 7.093 8.230 -0.071 0.171 0.448 90 P HA -0.076 4.333 4.420 -0.019 0.000 0.217 90 P C 0.255 177.547 177.300 -0.014 0.000 1.150 90 P CA 1.302 64.392 63.100 -0.016 0.000 0.832 90 P CB 0.457 32.151 31.700 -0.010 0.000 0.787 91 E N -1.446 118.748 120.200 -0.009 0.000 2.046 91 E HA -0.154 4.195 4.350 -0.003 0.000 0.190 91 E C 0.853 177.452 176.600 -0.001 0.000 0.982 91 E CA 0.870 57.268 56.400 -0.003 0.000 0.800 91 E CB 0.095 29.796 29.700 0.003 0.000 0.756 91 E HN 0.041 8.396 8.360 -0.009 0.000 0.449 92 L N -4.712 116.510 121.223 -0.002 0.000 5.134 92 L HA -0.378 3.961 4.340 -0.002 0.000 0.407 92 L C 0.194 177.098 176.870 0.058 0.000 0.869 92 L CA 1.389 56.233 54.840 0.008 0.000 1.827 92 L CB -1.668 40.377 42.059 -0.023 0.000 1.501 92 L HN -0.081 8.146 8.230 -0.006 0.000 0.610 93 I N -1.403 119.188 120.570 0.037 0.000 2.163 93 I HA -0.321 3.873 4.170 0.040 0.000 0.243 93 I C 2.343 178.485 176.117 0.041 0.000 1.085 93 I CA 2.636 63.958 61.300 0.036 0.000 1.347 93 I CB -1.768 36.244 38.000 0.020 0.000 1.044 93 I HN -0.159 7.931 8.210 0.021 0.132 0.408 94 L N -1.126 120.119 121.223 0.036 0.000 2.079 94 L HA -0.309 4.039 4.340 0.013 0.000 0.210 94 L C 1.219 178.110 176.870 0.035 0.000 1.081 94 L CA 3.172 58.027 54.840 0.026 0.000 0.752 94 L CB -1.185 40.882 42.059 0.014 0.000 0.896 94 L HN -0.018 8.230 8.230 0.030 0.000 0.433 95 H N -2.139 116.912 119.070 -0.032 0.000 2.387 95 H HA -0.335 4.194 4.556 -0.046 0.000 0.299 95 H C 1.803 177.117 175.328 -0.023 0.000 1.099 95 H CA 3.824 59.851 56.048 -0.036 0.000 1.315 95 H CB -0.217 29.521 29.762 -0.039 0.000 1.380 95 H HN -0.522 7.737 8.280 0.151 0.112 0.513 96 N N -1.314 117.390 118.700 0.007 0.000 2.171 96 N HA -0.219 4.467 4.740 -0.089 0.000 0.184 96 N C 1.888 177.360 175.510 -0.062 0.000 1.021 96 N CA 2.557 55.584 53.050 -0.037 0.000 0.854 96 N CB -0.026 38.478 38.487 0.029 0.000 0.994 96 N HN -0.561 7.769 8.380 0.096 0.108 0.426 97 K N -0.612 119.768 120.400 -0.034 0.000 2.057 97 K HA -0.328 3.980 4.320 -0.019 0.000 0.206 97 K C 2.340 178.916 176.600 -0.041 0.000 1.050 97 K CA 3.610 59.882 56.287 -0.026 0.000 0.935 97 K CB 0.071 32.566 32.500 -0.008 0.000 0.715 97 K HN -0.464 7.778 8.250 -0.013 0.000 0.439 98 M N -3.774 115.788 119.600 -0.063 0.000 2.394 98 M HA -0.191 4.273 4.480 -0.027 0.000 0.264 98 M C 1.537 177.783 176.300 -0.089 0.000 1.073 98 M CA 3.268 58.531 55.300 -0.062 0.000 1.111 98 M CB 0.030 32.592 32.600 -0.064 0.000 1.401 98 M HN 0.154 8.404 8.290 -0.068 0.000 0.448 99 K N -0.270 120.039 120.400 -0.152 0.000 2.166 99 K HA -0.118 4.129 4.320 -0.121 0.000 0.201 99 K C 1.999 178.556 176.600 -0.072 0.000 1.052 99 K CA 2.635 58.834 56.287 -0.147 0.000 0.969 99 K CB 0.031 32.379 32.500 -0.252 0.000 0.761 99 K HN -0.652 7.362 8.250 -0.183 0.127 0.459 100 R N -1.172 119.294 120.500 -0.058 0.000 2.083 100 R HA -0.362 3.964 4.340 -0.023 0.000 0.237 100 R C 2.549 178.844 176.300 -0.009 0.000 1.137 100 R CA 3.249 59.333 56.100 -0.026 0.000 0.951 100 R CB -0.657 29.632 30.300 -0.019 0.000 0.851 100 R HN -0.294 7.932 8.270 -0.072 0.000 0.434 101 E N -1.517 118.680 120.200 -0.005 0.000 2.106 101 E HA -0.219 4.139 4.350 0.013 0.000 0.192 101 E C 2.254 178.871 176.600 0.027 0.000 0.984 101 E CA 1.822 58.230 56.400 0.013 0.000 0.806 101 E CB -0.580 29.131 29.700 0.019 0.000 0.750 101 E HN -0.730 7.622 8.360 -0.014 0.000 0.458 102 L N 0.584 121.821 121.223 0.022 0.000 2.131 102 L HA -0.287 4.101 4.340 0.079 0.000 0.210 102 L C 1.538 178.433 176.870 0.042 0.000 1.092 102 L CA 2.727 57.593 54.840 0.042 0.000 0.759 102 L CB -0.280 41.788 42.059 0.014 0.000 0.903 102 L HN -0.746 7.411 8.230 0.002 0.074 0.435 103 Q N -3.305 116.508 119.800 0.021 0.000 2.364 103 Q HA -0.260 4.098 4.340 0.030 0.000 0.207 103 Q C 2.805 178.824 176.000 0.032 0.000 0.970 103 Q CA 2.503 58.321 55.803 0.024 0.000 0.888 103 Q CB -0.964 27.780 28.738 0.009 0.000 0.951 103 Q HN -0.055 8.086 8.270 0.007 0.133 0.469 104 R N -0.369 120.150 120.500 0.032 0.000 2.075 104 R HA -0.117 4.239 4.340 0.026 0.000 0.226 104 R C 2.255 178.581 176.300 0.043 0.000 1.114 104 R CA 1.879 57.997 56.100 0.031 0.000 0.972 104 R CB -0.299 30.014 30.300 0.022 0.000 0.869 104 R HN -0.347 7.794 8.270 0.029 0.146 0.437 105 V N 0.737 120.687 119.914 0.060 0.000 2.427 105 V HA -0.416 3.735 4.120 0.052 0.000 0.248 105 V C 2.429 178.590 176.094 0.111 0.000 1.051 105 V CA 3.999 66.346 62.300 0.079 0.000 1.048 105 V CB -0.305 31.592 31.823 0.123 0.000 0.666 105 V HN -0.721 7.428 8.190 0.061 0.078 0.456 106 E N -0.671 119.596 120.200 0.112 0.000 2.072 106 E HA -0.382 4.093 4.350 0.209 0.000 0.190 106 E C 1.708 178.375 176.600 0.111 0.000 0.982 106 E CA 3.266 59.749 56.400 0.139 0.000 0.803 106 E CB -0.342 29.421 29.700 0.104 0.000 0.755 106 E HN 0.247 8.661 8.360 0.091 0.000 0.453 107 D N -0.535 119.906 120.400 0.069 0.000 2.149 107 D HA -0.262 4.399 4.640 0.035 0.000 0.198 107 D C 2.216 178.542 176.300 0.043 0.000 0.990 107 D CA 3.327 57.353 54.000 0.044 0.000 0.839 107 D CB 0.128 40.945 40.800 0.029 0.000 0.948 107 D HN -0.431 7.805 8.370 0.062 0.171 0.460 108 S N -0.498 115.234 115.700 0.054 0.000 2.345 108 S HA -0.358 4.123 4.470 0.018 0.000 0.219 108 S C 1.859 176.507 174.600 0.080 0.000 1.031 108 S CA 3.339 61.564 58.200 0.041 0.000 0.984 108 S CB 0.175 63.387 63.200 0.019 0.000 0.874 108 S HN -0.211 8.128 8.310 0.059 0.006 0.451 109 H N 4.467 123.547 119.070 0.017 0.000 2.353 109 H HA -0.283 4.293 4.556 0.035 0.000 0.298 109 H C 2.241 177.602 175.328 0.055 0.000 1.103 109 H CA 3.322 59.395 56.048 0.041 0.000 1.293 109 H CB -0.024 29.775 29.762 0.061 0.000 1.372 109 H HN -0.387 8.016 8.280 0.205 0.000 0.501 110 Q N -2.146 117.607 119.800 -0.078 0.000 2.046 110 Q HA -0.273 3.900 4.340 -0.279 0.000 0.200 110 Q C 2.376 178.335 176.000 -0.068 0.000 0.975 110 Q CA 3.384 59.103 55.803 -0.139 0.000 0.836 110 Q CB -0.197 28.505 28.738 -0.059 0.000 0.896 110 Q HN -0.002 8.281 8.270 0.039 0.011 0.428 111 I N -3.122 117.441 120.570 -0.010 0.000 2.394 111 I HA -0.342 3.835 4.170 0.011 0.000 0.251 111 I C 1.689 177.851 176.117 0.075 0.000 1.136 111 I CA 2.872 64.185 61.300 0.021 0.000 1.425 111 I CB -0.409 37.605 38.000 0.023 0.000 1.079 111 I HN -0.872 7.338 8.210 0.001 0.000 0.425 112 L N 1.383 122.661 121.223 0.091 0.000 2.017 112 L HA -0.355 4.209 4.340 0.374 0.000 0.208 112 L C 2.805 179.862 176.870 0.313 0.000 1.073 112 L CA 3.256 58.245 54.840 0.250 0.000 0.745 112 L CB -0.709 41.433 42.059 0.138 0.000 0.894 112 L HN 0.330 8.588 8.230 0.046 0.000 0.432 113 S N -1.878 113.890 115.700 0.113 0.000 2.368 113 S HA -0.377 4.180 4.470 0.144 0.000 0.225 113 S C 2.275 176.917 174.600 0.071 0.000 1.030 113 S CA 3.446 61.683 58.200 0.063 0.000 0.999 113 S CB -0.198 62.933 63.200 -0.115 0.000 0.844 113 S HN -0.100 8.210 8.310 0.000 0.000 0.459 114 Q N -0.282 119.536 119.800 0.030 0.000 2.061 114 Q HA -0.306 4.034 4.340 -0.000 0.000 0.204 114 Q C 2.743 178.772 176.000 0.048 0.000 0.984 114 Q CA 2.950 58.766 55.803 0.022 0.000 0.846 114 Q CB -0.461 28.277 28.738 -0.001 0.000 0.902 114 Q HN -0.009 8.265 8.270 0.007 0.000 0.421 115 T N -1.363 113.229 114.554 0.063 0.000 2.668 115 T HA -0.367 3.962 4.350 -0.034 0.000 0.262 115 T C 1.856 176.507 174.700 -0.083 0.000 1.045 115 T CA 4.156 66.261 62.100 0.008 0.000 1.152 115 T CB -0.519 68.401 68.868 0.087 0.000 0.864 115 T HN -0.194 8.107 8.240 0.102 0.000 0.419 116 S N 2.652 118.327 115.700 -0.043 0.000 2.365 116 S HA -0.503 3.799 4.470 -0.280 0.000 0.225 116 S C 2.112 176.696 174.600 -0.027 0.000 1.039 116 S CA 3.525 61.662 58.200 -0.105 0.000 1.033 116 S CB -0.073 63.131 63.200 0.007 0.000 0.887 116 S HN -0.058 8.308 8.310 0.093 0.000 0.447 117 H N 1.443 120.492 119.070 -0.035 0.000 2.353 117 H HA -0.298 4.267 4.556 0.014 0.000 0.300 117 H C 1.808 177.093 175.328 -0.072 0.000 1.090 117 H CA 3.976 60.010 56.048 -0.023 0.000 1.327 117 H CB 0.229 29.982 29.762 -0.014 0.000 1.383 117 H HN 0.063 8.442 8.280 0.164 0.000 0.508 118 D N -0.577 119.826 120.400 0.005 0.000 2.117 118 D HA -0.276 4.348 4.640 -0.026 0.000 0.197 118 D C 2.377 178.533 176.300 -0.240 0.000 0.987 118 D CA 3.299 57.250 54.000 -0.082 0.000 0.829 118 D CB 0.035 40.797 40.800 -0.064 0.000 0.961 118 D HN -0.502 7.903 8.370 0.058 0.000 0.460 119 L N -1.674 119.315 121.223 -0.390 0.000 2.083 119 L HA -0.487 3.485 4.340 -0.613 0.000 0.209 119 L C 1.881 178.332 176.870 -0.698 0.000 1.083 119 L CA 3.113 57.515 54.840 -0.730 0.000 0.752 119 L CB -0.494 40.800 42.059 -1.275 0.000 0.899 119 L HN 0.216 8.243 8.230 -0.339 0.000 0.433 120 N N -1.105 117.384 118.700 -0.352 0.000 2.142 120 N HA -0.298 4.640 4.740 0.330 0.000 0.186 120 N C 2.871 178.320 175.510 -0.101 0.000 1.023 120 N CA 3.395 56.436 53.050 -0.014 0.000 0.852 120 N CB 0.080 38.571 38.487 0.007 0.000 0.998 120 N HN 0.013 8.121 8.380 -0.295 0.095 0.424 121 E N 0.189 120.264 120.200 -0.208 0.000 2.204 121 E HA -0.241 4.033 4.350 -0.126 0.000 0.194 121 E C 1.283 177.821 176.600 -0.104 0.000 0.989 121 E CA 2.476 58.787 56.400 -0.149 0.000 0.824 121 E CB 0.010 29.629 29.700 -0.136 0.000 0.756 121 E HN 0.047 8.166 8.360 -0.273 0.077 0.477 122 C N -1.984 117.229 119.300 -0.145 0.000 2.573 122 C HA 0.069 4.476 4.460 -0.090 0.000 0.273 122 C C -0.496 174.452 174.990 -0.070 0.000 1.346 122 C CA 0.205 59.147 59.018 -0.126 0.000 1.702 122 C CB -0.408 27.215 27.740 -0.195 0.000 1.751 122 C HN -0.217 7.777 8.230 -0.206 0.112 0.583 123 S N -0.072 115.618 115.700 -0.015 0.000 3.445 123 S HA -0.408 4.226 4.470 0.129 -0.087 0.319 123 S C -0.499 174.229 174.600 0.214 0.000 1.209 123 S CA 1.557 59.812 58.200 0.091 0.000 0.934 123 S CB -0.917 62.310 63.200 0.046 0.000 0.999 123 S HN -0.063 7.987 8.310 -0.041 0.235 0.582 124 W N -3.350 117.900 121.300 -0.084 0.000 5.271 124 W HA -0.426 4.172 4.660 -0.103 0.000 0.364 124 W C -0.967 175.515 176.519 -0.062 0.000 1.342 124 W CA 1.240 58.534 57.345 -0.086 0.000 0.899 124 W CB -2.664 26.743 29.460 -0.088 0.000 2.450 124 W HN 0.187 8.268 8.180 -0.090 0.045 1.508 125 S N -1.684 114.061 115.700 0.075 0.000 2.546 125 S HA -0.129 4.391 4.470 0.082 0.000 0.290 125 S C 1.502 176.138 174.600 0.060 0.000 1.262 125 S CA -0.083 58.153 58.200 0.060 0.000 1.083 125 S CB 0.683 63.898 63.200 0.025 0.000 0.859 125 S HN -0.488 7.698 8.310 0.022 0.137 0.495 126 L N 6.746 128.028 121.223 0.099 0.000 2.189 126 L HA -0.278 4.121 4.340 0.100 0.000 0.214 126 L C 1.598 178.567 176.870 0.166 0.000 1.097 126 L CA 2.433 57.357 54.840 0.139 0.000 0.764 126 L CB -1.221 40.953 42.059 0.193 0.000 0.900 126 L HN 0.634 8.925 8.230 0.102 0.000 0.436 127 N N -0.949 117.820 118.700 0.116 0.000 2.149 127 N HA -0.339 4.455 4.740 0.090 0.000 0.188 127 N C 1.839 177.368 175.510 0.031 0.000 1.019 127 N CA 3.274 56.367 53.050 0.072 0.000 0.857 127 N CB -0.048 38.462 38.487 0.038 0.000 0.997 127 N HN -0.654 7.751 8.380 0.101 0.035 0.426 128 I N -2.797 117.770 120.570 -0.004 0.000 2.703 128 I HA -0.190 3.954 4.170 -0.044 0.000 0.259 128 I C 0.796 176.861 176.117 -0.087 0.000 1.151 128 I CA 1.440 62.707 61.300 -0.055 0.000 1.470 128 I CB 0.381 38.323 38.000 -0.096 0.000 1.112 128 I HN -0.431 7.663 8.210 0.000 0.116 0.437 129 L N -2.165 119.010 121.223 -0.080 0.000 2.187 129 L HA -0.078 4.107 4.340 -0.258 0.000 0.197 129 L C 2.200 179.053 176.870 -0.029 0.000 1.090 129 L CA 2.487 57.240 54.840 -0.145 0.000 0.781 129 L CB -0.104 41.869 42.059 -0.144 0.000 0.956 129 L HN -0.549 7.660 8.230 -0.035 0.000 0.463 130 A N -1.712 121.171 122.820 0.104 0.000 1.975 130 A HA -0.089 4.391 4.320 0.267 0.000 0.215 130 A C 0.491 178.239 177.584 0.273 0.000 1.170 130 A CA 2.098 54.279 52.037 0.240 0.000 0.656 130 A CB 0.709 19.853 19.000 0.240 0.000 0.821 130 A HN -0.467 7.648 8.150 0.103 0.096 0.449 131 I N -3.226 117.469 120.570 0.209 0.000 3.837 131 I HA -0.046 4.202 4.170 0.130 0.000 0.332 131 I C -1.138 175.018 176.117 0.065 0.000 1.484 131 I CA -0.539 60.834 61.300 0.122 0.000 1.223 131 I CB -1.843 36.198 38.000 0.068 0.000 1.257 131 I HN -0.430 7.895 8.210 0.190 0.000 0.421 132 N N 0.853 119.591 118.700 0.063 0.000 2.503 132 N HA -0.083 4.654 4.740 -0.005 0.000 0.267 132 N C -0.326 175.205 175.510 0.034 0.000 1.214 132 N CA 0.118 53.179 53.050 0.018 0.000 0.959 132 N CB 1.274 39.746 38.487 -0.025 0.000 1.142 132 N HN -0.696 7.642 8.380 0.099 0.101 0.455 133 K N 2.851 123.260 120.400 0.015 0.000 2.368 133 K HA 0.216 4.551 4.320 0.025 0.000 0.282 133 K C -1.029 175.592 176.600 0.035 0.000 1.035 133 K CA -1.126 55.173 56.287 0.021 0.000 0.973 133 K CB -0.569 31.936 32.500 0.007 0.000 0.957 133 K HN 0.294 8.542 8.250 -0.003 0.000 0.474 134 P HA -0.183 4.281 4.420 0.072 0.000 0.215 134 P C -0.524 176.802 177.300 0.044 0.000 1.153 134 P CA 1.450 64.581 63.100 0.052 0.000 0.853 134 P CB 0.291 32.017 31.700 0.044 0.000 0.788 135 Q N -1.213 118.604 119.800 0.030 0.000 2.490 135 Q HA 0.088 4.445 4.340 0.028 0.000 0.226 135 Q C -0.901 175.109 176.000 0.017 0.000 1.132 135 Q CA -0.411 55.406 55.803 0.024 0.000 0.928 135 Q CB -0.714 28.035 28.738 0.017 0.000 1.299 135 Q HN 0.051 8.336 8.270 0.025 0.000 0.528 136 N N 3.404 122.116 118.700 0.021 0.000 2.571 136 N HA 0.157 4.899 4.740 0.004 0.000 0.286 136 N C -0.682 174.837 175.510 0.015 0.000 1.138 136 N CA 0.308 53.364 53.050 0.010 0.000 0.859 136 N CB 2.172 40.659 38.487 -0.000 0.000 1.414 136 N HN -0.044 8.354 8.380 0.031 0.000 0.529 137 K N 2.678 123.085 120.400 0.011 0.000 2.365 137 K HA -0.073 4.260 4.320 0.022 0.000 0.197 137 K C 0.020 176.624 176.600 0.007 0.000 1.042 137 K CA 1.270 57.565 56.287 0.013 0.000 0.987 137 K CB 0.179 32.686 32.500 0.011 0.000 0.779 137 K HN 0.215 8.470 8.250 0.007 0.000 0.484 138 C N -0.926 118.372 119.300 -0.004 0.000 2.319 138 C HA 0.044 4.498 4.460 -0.009 0.000 0.350 138 C C -0.326 174.646 174.990 -0.030 0.000 1.326 138 C CA -0.923 58.086 59.018 -0.015 0.000 1.737 138 C CB -0.257 27.470 27.740 -0.022 0.000 1.988 138 C HN -0.157 8.037 8.230 -0.005 0.033 0.582 139 D N 1.948 122.337 120.400 -0.018 0.000 2.662 139 D HA -0.104 4.491 4.640 -0.076 0.000 0.228 139 D C -0.731 175.542 176.300 -0.044 0.000 1.093 139 D CA -0.862 53.114 54.000 -0.039 0.000 1.075 139 D CB -1.628 39.176 40.800 0.007 0.000 1.122 139 D HN -0.094 8.158 8.370 0.001 0.119 0.475 140 D N 2.464 122.822 120.400 -0.070 0.000 2.149 140 D HA -0.357 4.282 4.640 -0.000 0.000 0.198 140 D C 1.393 177.656 176.300 -0.062 0.000 0.990 140 D CA 3.658 57.628 54.000 -0.050 0.000 0.839 140 D CB -0.200 40.553 40.800 -0.079 0.000 0.948 140 D HN 0.190 8.458 8.370 -0.084 0.051 0.460 141 L N -1.334 119.766 121.223 -0.204 0.000 2.012 141 L HA -0.291 3.865 4.340 -0.307 0.000 0.210 141 L C 1.424 178.231 176.870 -0.104 0.000 1.073 141 L CA 3.139 57.781 54.840 -0.329 0.000 0.748 141 L CB 0.010 41.653 42.059 -0.693 0.000 0.891 141 L HN -0.220 7.851 8.230 -0.242 0.014 0.431 142 D N -2.358 118.032 120.400 -0.016 0.000 2.162 142 D HA -0.206 4.799 4.640 0.609 0.000 0.203 142 D C 1.890 178.340 176.300 0.250 0.000 0.967 142 D CA 3.008 57.201 54.000 0.322 0.000 0.840 142 D CB 0.207 41.242 40.800 0.392 0.000 0.972 142 D HN -0.628 7.674 8.370 -0.113 0.000 0.482 143 R N 0.094 120.685 120.500 0.151 0.000 2.091 143 R HA -0.390 4.014 4.340 0.106 0.000 0.238 143 R C 1.808 178.198 176.300 0.150 0.000 1.136 143 R CA 3.547 59.720 56.100 0.122 0.000 0.959 143 R CB -0.197 30.151 30.300 0.079 0.000 0.856 143 R HN 0.160 8.489 8.270 0.098 0.000 0.437 144 F N -0.610 119.375 119.950 0.058 0.000 2.120 144 F HA -0.325 4.242 4.527 0.066 0.000 0.300 144 F C 1.582 177.454 175.800 0.120 0.000 1.095 144 F CA 3.736 61.783 58.000 0.078 0.000 1.249 144 F CB -0.057 38.983 39.000 0.067 0.000 0.995 144 F HN -0.117 8.356 8.300 0.289 0.000 0.480 145 V N -0.215 119.909 119.914 0.350 0.000 2.237 145 V HA -0.608 3.682 4.120 0.282 0.000 0.245 145 V C 1.610 177.763 176.094 0.098 0.000 1.046 145 V CA 4.865 67.329 62.300 0.272 0.000 1.007 145 V CB -0.120 31.939 31.823 0.393 0.000 0.638 145 V HN -0.769 7.592 8.190 0.441 0.094 0.445 146 M N -1.955 117.707 119.600 0.103 0.000 2.149 146 M HA -0.461 4.047 4.480 0.047 0.000 0.261 146 M C 2.124 178.422 176.300 -0.004 0.000 1.064 146 M CA 3.746 59.076 55.300 0.050 0.000 1.102 146 M CB -0.495 32.142 32.600 0.062 0.000 1.369 146 M HN -0.454 7.931 8.290 0.158 0.000 0.408 147 V N -0.053 119.838 119.914 -0.038 0.000 2.323 147 V HA -0.459 3.632 4.120 -0.049 0.000 0.244 147 V C 1.849 177.857 176.094 -0.142 0.000 1.041 147 V CA 3.301 65.552 62.300 -0.083 0.000 1.025 147 V CB -0.260 31.508 31.823 -0.092 0.000 0.656 147 V HN -0.142 8.026 8.190 -0.019 0.011 0.451 148 A N -0.856 121.809 122.820 -0.257 0.000 1.940 148 A HA -0.365 3.786 4.320 -0.282 0.000 0.219 148 A C 0.988 178.501 177.584 -0.118 0.000 1.176 148 A CA 3.029 54.901 52.037 -0.275 0.000 0.631 148 A CB -0.459 18.284 19.000 -0.427 0.000 0.814 148 A HN 0.224 8.077 8.150 -0.313 0.109 0.446 149 K N -6.415 113.944 120.400 -0.068 0.000 2.418 149 K HA -0.045 4.254 4.320 -0.034 0.000 0.195 149 K C 1.061 177.636 176.600 -0.041 0.000 1.035 149 K CA 1.839 58.104 56.287 -0.036 0.000 1.003 149 K CB -0.106 32.390 32.500 -0.007 0.000 0.793 149 K HN -0.476 7.715 8.250 -0.064 0.020 0.494 150 T N -0.232 114.293 114.554 -0.049 0.000 3.037 150 T HA 0.090 4.418 4.350 -0.037 0.000 0.252 150 T C 1.014 175.681 174.700 -0.055 0.000 1.073 150 T CA 1.065 63.139 62.100 -0.043 0.000 1.091 150 T CB 1.455 70.305 68.868 -0.030 0.000 0.935 150 T HN -0.510 7.526 8.240 -0.058 0.169 0.488 151 V N 2.810 122.681 119.914 -0.071 0.000 2.282 151 V HA -0.284 3.797 4.120 -0.065 0.000 0.249 151 V C -1.091 174.934 176.094 -0.115 0.000 1.057 151 V CA 6.264 68.514 62.300 -0.084 0.000 1.032 151 V CB -3.230 28.538 31.823 -0.091 0.000 0.645 151 V HN -0.114 8.029 8.190 -0.078 0.000 0.447 152 P HA -0.197 4.096 4.420 -0.211 0.000 0.219 152 P C 1.412 178.643 177.300 -0.114 0.000 1.146 152 P CA 2.996 66.009 63.100 -0.146 0.000 0.808 152 P CB -0.715 30.916 31.700 -0.115 0.000 0.779 153 D N -1.071 119.283 120.400 -0.077 0.000 2.120 153 D HA -0.248 4.363 4.640 -0.050 0.000 0.202 153 D C 1.587 177.863 176.300 -0.041 0.000 0.972 153 D CA 3.233 57.202 54.000 -0.051 0.000 0.837 153 D CB 0.306 41.084 40.800 -0.036 0.000 0.989 153 D HN -0.404 7.788 8.370 -0.072 0.135 0.469 154 D N 0.449 120.825 120.400 -0.040 0.000 2.117 154 D HA -0.341 4.295 4.640 -0.007 0.000 0.197 154 D C 2.377 178.669 176.300 -0.013 0.000 0.987 154 D CA 3.983 57.972 54.000 -0.019 0.000 0.829 154 D CB -0.159 40.633 40.800 -0.014 0.000 0.961 154 D HN -0.432 7.910 8.370 -0.046 0.000 0.460 155 A N -0.852 121.926 122.820 -0.069 0.000 1.933 155 A HA -0.317 4.024 4.320 0.035 0.000 0.218 155 A C 1.254 178.831 177.584 -0.012 0.000 1.175 155 A CA 3.152 55.126 52.037 -0.105 0.000 0.628 155 A CB -0.585 18.121 19.000 -0.491 0.000 0.814 155 A HN 0.431 8.519 8.150 -0.103 0.000 0.444 156 K N -1.999 118.372 120.400 -0.048 0.000 2.218 156 K HA -0.370 4.058 4.320 0.005 -0.104 0.205 156 K C 1.844 178.464 176.600 0.035 0.000 1.046 156 K CA 3.033 59.317 56.287 -0.005 0.000 0.933 156 K CB -0.352 32.132 32.500 -0.027 0.000 0.728 156 K HN -0.414 7.707 8.250 -0.084 0.079 0.454 157 Q N -1.678 118.143 119.800 0.035 0.000 2.050 157 Q HA -0.280 4.079 4.340 0.032 0.000 0.202 157 Q C 2.286 178.327 176.000 0.069 0.000 0.980 157 Q CA 2.603 58.431 55.803 0.042 0.000 0.840 157 Q CB -0.790 27.968 28.738 0.032 0.000 0.898 157 Q HN -0.554 7.588 8.270 0.020 0.139 0.424 158 L N -0.465 120.824 121.223 0.110 0.000 2.027 158 L HA -0.217 4.176 4.340 0.088 0.000 0.206 158 L C 2.359 179.320 176.870 0.151 0.000 1.074 158 L CA 2.749 57.670 54.840 0.136 0.000 0.745 158 L CB -1.548 40.633 42.059 0.204 0.000 0.898 158 L HN -0.474 7.752 8.230 0.118 0.074 0.433 159 T N 1.186 115.866 114.554 0.211 0.000 2.624 159 T HA -0.403 4.066 4.350 0.198 0.000 0.268 159 T C 2.282 177.045 174.700 0.105 0.000 1.041 159 T CA 5.115 67.321 62.100 0.178 0.000 1.159 159 T CB -0.663 68.300 68.868 0.158 0.000 0.863 159 T HN 0.357 8.751 8.240 0.257 0.000 0.434 160 T N 3.926 118.527 114.554 0.078 0.000 2.777 160 T HA -0.339 4.042 4.350 0.051 0.000 0.266 160 T C 1.968 176.703 174.700 0.058 0.000 1.040 160 T CA 4.746 66.879 62.100 0.056 0.000 1.141 160 T CB -0.122 68.769 68.868 0.038 0.000 0.868 160 T HN -0.158 8.128 8.240 0.076 0.000 0.444 161 T N 4.816 119.405 114.554 0.058 0.000 2.684 161 T HA -0.374 4.000 4.350 0.040 0.000 0.267 161 T C 1.763 176.498 174.700 0.058 0.000 1.036 161 T CA 5.503 67.632 62.100 0.048 0.000 1.148 161 T CB -0.345 68.546 68.868 0.039 0.000 0.863 161 T HN -0.398 7.879 8.240 0.062 0.000 0.436 162 I N 0.189 120.807 120.570 0.079 0.000 2.202 162 I HA -0.560 3.658 4.170 0.080 0.000 0.242 162 I C 0.770 176.972 176.117 0.141 0.000 1.091 162 I CA 4.041 65.407 61.300 0.110 0.000 1.368 162 I CB -0.184 37.905 38.000 0.148 0.000 1.058 162 I HN 0.131 8.392 8.210 0.084 0.000 0.410 163 N N -2.323 116.451 118.700 0.122 0.000 2.104 163 N HA -0.252 4.566 4.740 0.131 0.000 0.190 163 N C 2.807 178.370 175.510 0.088 0.000 1.024 163 N CA 2.677 55.791 53.050 0.106 0.000 0.853 163 N CB -0.074 38.456 38.487 0.072 0.000 1.008 163 N HN -0.442 8.004 8.380 0.110 0.000 0.424 164 T N 1.445 116.041 114.554 0.070 0.000 2.904 164 T HA -0.180 4.201 4.350 0.052 0.000 0.267 164 T C 0.934 175.669 174.700 0.058 0.000 1.059 164 T CA 2.523 64.656 62.100 0.055 0.000 1.137 164 T CB 0.124 69.017 68.868 0.041 0.000 0.879 164 T HN -0.003 8.277 8.240 0.067 0.000 0.467 165 N N -0.107 118.630 118.700 0.062 0.000 2.268 165 N HA 0.168 4.935 4.740 0.044 0.000 0.204 165 N C -0.386 175.167 175.510 0.072 0.000 1.124 165 N CA 0.465 53.545 53.050 0.049 0.000 0.838 165 N CB 0.685 39.186 38.487 0.023 0.000 0.994 165 N HN -0.511 7.909 8.380 0.066 0.000 0.489 166 A N 0.364 123.268 122.820 0.141 0.000 1.908 166 A HA -0.390 4.162 4.320 0.375 -0.007 0.218 166 A C 1.080 178.823 177.584 0.265 0.000 1.181 166 A CA 3.942 56.151 52.037 0.287 0.000 0.627 166 A CB -0.311 18.857 19.000 0.279 0.000 0.818 166 A HN -0.699 7.334 8.150 0.126 0.193 0.445 167 E N -2.605 117.690 120.200 0.159 0.000 2.204 167 E HA -0.271 4.182 4.350 0.173 0.000 0.195 167 E C 0.624 177.279 176.600 0.092 0.000 0.990 167 E CA 2.080 58.560 56.400 0.134 0.000 0.821 167 E CB -0.735 29.023 29.700 0.096 0.000 0.750 167 E HN 0.397 8.833 8.360 0.128 0.000 0.477 168 A N -1.734 121.116 122.820 0.049 0.000 1.943 168 A HA -0.045 4.286 4.320 0.018 0.000 0.213 168 A C 2.008 179.558 177.584 -0.057 0.000 1.181 168 A CA 1.930 53.970 52.037 0.005 0.000 0.653 168 A CB 0.112 19.111 19.000 -0.002 0.000 0.833 168 A HN -0.445 7.587 8.150 0.054 0.150 0.451 169 L N -3.388 117.745 121.223 -0.150 0.000 2.095 169 L HA -0.205 3.943 4.340 -0.320 0.000 0.204 169 L C 0.279 176.818 176.870 -0.553 0.000 1.080 169 L CA 2.163 56.736 54.840 -0.446 0.000 0.759 169 L CB 0.628 42.237 42.059 -0.750 0.000 0.914 169 L HN -0.443 7.735 8.230 -0.086 0.000 0.439 170 F N -3.156 116.839 119.950 0.075 0.000 2.427 170 F HA 0.161 4.780 4.527 0.153 0.000 0.348 170 F C -1.659 174.202 175.800 0.102 0.000 1.125 170 F CA -1.292 56.772 58.000 0.107 0.000 0.989 170 F CB 1.032 40.085 39.000 0.088 0.000 1.165 170 F HN 0.020 8.228 8.300 0.022 0.105 0.442 171 R N 4.620 125.266 120.500 0.242 0.000 2.246 171 R HA 0.377 4.810 4.340 0.155 0.000 0.332 171 R C -1.326 175.072 176.300 0.164 0.000 0.974 171 R CA -3.607 52.589 56.100 0.159 0.000 0.837 171 R CB 0.422 30.774 30.300 0.086 0.000 1.145 171 R HN 0.399 8.820 8.270 0.252 0.000 0.467 172 P HA 0.050 4.623 4.420 0.256 0.000 0.255 172 P C -1.406 175.956 177.300 0.103 0.000 1.248 172 P CA -0.320 62.902 63.100 0.203 0.000 0.807 172 P CB 0.492 32.355 31.700 0.272 0.000 1.150 173 G N 0.077 108.909 108.800 0.054 0.000 2.515 173 G HA2 -0.189 3.771 3.960 0.001 0.000 0.686 173 G HA3 -0.189 3.767 3.960 -0.006 0.000 0.686 173 G C -2.817 172.081 174.900 -0.004 0.000 1.274 173 G CA -0.934 44.170 45.100 0.008 0.000 0.874 173 G HN -0.391 7.862 8.290 0.067 0.077 0.631 174 P HA 0.031 4.446 4.420 -0.007 0.000 0.271 174 P C -0.649 176.636 177.300 -0.025 0.000 1.218 174 P CA -0.327 62.764 63.100 -0.015 0.000 0.780 174 P CB 0.535 32.225 31.700 -0.016 0.000 0.901 175 G N 2.274 111.061 108.800 -0.021 0.000 3.712 175 G HA2 0.135 4.074 3.960 -0.035 0.000 0.327 175 G HA3 0.135 4.075 3.960 -0.033 0.000 0.327 175 G C -0.978 173.910 174.900 -0.019 0.000 1.566 175 G CA -0.071 45.012 45.100 -0.028 0.000 0.953 175 G HN 0.099 8.381 8.290 -0.013 0.000 0.488 176 S N 0.000 115.689 115.700 -0.018 0.000 2.498 176 S HA 0.000 4.464 4.470 -0.010 0.000 0.327 176 S CA 0.000 58.192 58.200 -0.013 0.000 1.107 176 S CB 0.000 63.193 63.200 -0.012 0.000 0.593 176 S HN 0.000 8.297 8.310 -0.021 0.000 0.517