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 2rr8_1_A DATA FIRST_RESID 21 DATA SEQUENCE GPLGSLTAEE MDERRRQNVA YEYLCHLEEA KRWMEACLGE DLPPTTELEE DATA SEQUENCE GLRNGVYLAK LGNFFSPKVV SLKKIYDREQ TRYKATGLHF RHTDNVIQWL DATA SEQUENCE NAMDEIGLPK IFYPETTDIY DRKNMPRCIY CIHALSLYLF KLGLAPQIQD DATA SEQUENCE LYGKVDFTEE EINNMKTELE KYGIQMPAFS KIGGILANEL 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 21 G HA2 0.000 nan 3.960 nan 0.000 0.244 21 G HA3 0.000 3.963 3.960 0.005 0.000 0.244 21 G C 0.000 174.904 174.900 0.006 0.000 0.946 21 G CA 0.000 45.103 45.100 0.006 0.000 0.502 22 P HA 0.705 5.130 4.420 0.009 0.000 0.272 22 P C -1.436 175.868 177.300 0.006 0.000 1.240 22 P CA -0.157 62.947 63.100 0.008 0.000 0.791 22 P CB 1.252 32.956 31.700 0.008 0.000 0.978 23 L N -1.541 119.686 121.223 0.007 0.000 2.389 23 L HA 0.896 5.239 4.340 0.004 0.000 0.249 23 L C 0.158 177.031 176.870 0.005 0.000 1.083 23 L CA -0.295 54.549 54.840 0.005 0.000 0.876 23 L CB 1.997 44.059 42.059 0.005 0.000 1.489 23 L HN 0.726 8.960 8.230 0.008 0.000 0.412 24 G N -0.794 108.008 108.800 0.004 0.000 2.320 24 G HA2 0.071 4.034 3.960 0.005 0.000 0.297 24 G HA3 0.071 4.033 3.960 0.004 0.000 0.297 24 G C -2.088 172.814 174.900 0.003 0.000 1.344 24 G CA 0.039 45.142 45.100 0.004 0.000 0.851 24 G HN 0.342 8.634 8.290 0.004 0.000 0.567 25 S N -0.835 114.866 115.700 0.002 0.000 2.841 25 S HA 0.375 4.846 4.470 0.001 0.000 0.318 25 S C -0.939 173.661 174.600 -0.000 0.000 1.127 25 S CA -0.024 58.176 58.200 0.001 0.000 0.883 25 S CB 1.492 64.692 63.200 0.001 0.000 1.271 25 S HN 0.068 8.380 8.310 0.002 0.000 0.567 26 L N 2.145 123.367 121.223 -0.001 0.000 2.442 26 L HA 0.317 4.656 4.340 -0.003 0.000 0.261 26 L C -1.198 175.670 176.870 -0.003 0.000 1.000 26 L CA 0.705 55.544 54.840 -0.002 0.000 0.882 26 L CB 0.388 42.446 42.059 -0.002 0.000 1.207 26 L HN 0.291 8.521 8.230 -0.001 0.000 0.443 27 T N 0.860 115.412 114.554 -0.004 0.000 2.853 27 T HA 0.218 4.565 4.350 -0.004 0.000 0.311 27 T C -1.737 172.960 174.700 -0.006 0.000 1.307 27 T CA -0.658 61.440 62.100 -0.004 0.000 1.019 27 T CB 1.489 70.355 68.868 -0.002 0.000 1.264 27 T HN -0.094 8.143 8.240 -0.004 0.000 0.497 28 A N 1.855 124.671 122.820 -0.007 0.000 2.532 28 A HA 0.613 4.927 4.320 -0.011 0.000 0.296 28 A C -2.038 175.541 177.584 -0.009 0.000 1.058 28 A CA -0.467 51.564 52.037 -0.010 0.000 0.729 28 A CB 2.090 21.083 19.000 -0.011 0.000 1.285 28 A HN 0.734 8.881 8.150 -0.006 0.000 0.396 29 E N 2.591 122.785 120.200 -0.010 0.000 2.401 29 E HA 0.104 4.448 4.350 -0.010 0.000 0.283 29 E C -1.460 175.133 176.600 -0.010 0.000 1.053 29 E CA -0.461 55.933 56.400 -0.009 0.000 0.842 29 E CB 1.027 30.724 29.700 -0.006 0.000 1.222 29 E HN 0.156 8.509 8.360 -0.011 0.000 0.429 30 E N 1.170 121.362 120.200 -0.012 0.000 2.459 30 E HA 0.396 4.740 4.350 -0.011 0.000 0.275 30 E C -1.208 175.383 176.600 -0.014 0.000 0.987 30 E CA -0.708 55.683 56.400 -0.014 0.000 0.828 30 E CB 1.997 31.684 29.700 -0.021 0.000 1.428 30 E HN 0.150 8.503 8.360 -0.012 0.000 0.457 31 M N 0.816 120.406 119.600 -0.017 0.000 3.046 31 M HA 0.089 4.560 4.480 -0.014 0.000 0.215 31 M C 0.083 176.369 176.300 -0.023 0.000 1.815 31 M CA 0.731 56.022 55.300 -0.016 0.000 1.316 31 M CB 1.137 33.729 32.600 -0.013 0.000 1.187 31 M HN 0.296 8.574 8.290 -0.019 0.000 0.595 32 D N -0.749 119.632 120.400 -0.031 0.000 2.372 32 D HA -0.068 4.552 4.640 -0.033 0.000 0.243 32 D C -0.095 176.177 176.300 -0.046 0.000 1.297 32 D CA 0.666 54.641 54.000 -0.041 0.000 0.958 32 D CB 1.307 42.072 40.800 -0.058 0.000 1.114 32 D HN -0.064 8.288 8.370 -0.031 0.000 0.496 33 E N 0.529 120.699 120.200 -0.050 0.000 2.052 33 E HA -0.094 4.234 4.350 -0.037 0.000 0.192 33 E C 1.320 177.883 176.600 -0.063 0.000 0.958 33 E CA 1.141 57.513 56.400 -0.046 0.000 0.835 33 E CB 0.627 30.306 29.700 -0.034 0.000 0.811 33 E HN 0.334 8.664 8.360 -0.050 0.000 0.462 34 R N -4.094 116.358 120.500 -0.081 0.000 2.121 34 R HA 0.205 4.495 4.340 -0.084 0.000 0.206 34 R C -0.508 175.636 176.300 -0.260 0.000 1.094 34 R CA -0.098 55.936 56.100 -0.110 0.000 1.055 34 R CB 1.972 32.235 30.300 -0.061 0.000 0.964 34 R HN -0.112 8.115 8.270 -0.072 0.000 0.473 35 R N -5.025 115.326 120.500 -0.249 0.000 2.832 35 R HA 0.216 4.329 4.340 -0.379 0.000 0.283 35 R C -1.463 174.734 176.300 -0.170 0.000 0.998 35 R CA -0.689 55.190 56.100 -0.368 0.000 0.843 35 R CB 0.222 30.069 30.300 -0.755 0.000 1.332 35 R HN -0.735 7.551 8.270 -0.152 -0.106 0.490 36 R N -1.015 119.409 120.500 -0.128 0.000 2.084 36 R HA 0.231 4.545 4.340 -0.044 0.000 0.209 36 R C -0.425 175.871 176.300 -0.006 0.000 1.173 36 R CA 0.901 56.973 56.100 -0.046 0.000 1.053 36 R CB 1.079 31.364 30.300 -0.025 0.000 0.948 36 R HN 0.334 8.504 8.270 -0.166 0.000 0.460 37 Q N -2.994 116.822 119.800 0.027 0.000 2.297 37 Q HA 0.163 4.534 4.340 0.051 0.000 0.268 37 Q C 0.208 176.289 176.000 0.135 0.000 1.045 37 Q CA -0.932 54.912 55.803 0.068 0.000 0.861 37 Q CB 2.351 31.129 28.738 0.066 0.000 1.344 37 Q HN -0.216 8.069 8.270 0.025 0.000 0.452 38 N N 2.058 120.837 118.700 0.130 0.000 2.278 38 N HA -0.060 4.830 4.740 0.250 0.000 0.181 38 N C 1.868 177.471 175.510 0.156 0.000 1.023 38 N CA 2.675 55.830 53.050 0.175 0.000 0.862 38 N CB 0.150 38.716 38.487 0.132 0.000 1.003 38 N HN 0.401 8.838 8.380 0.095 0.000 0.431 39 V N 0.157 120.136 119.914 0.108 0.000 2.295 39 V HA -0.386 3.769 4.120 0.057 0.000 0.246 39 V C 1.477 177.643 176.094 0.119 0.000 1.049 39 V CA 4.383 66.736 62.300 0.088 0.000 1.024 39 V CB -0.502 31.369 31.823 0.079 0.000 0.648 39 V HN 0.160 8.407 8.190 0.095 0.000 0.447 40 A N -1.031 121.866 122.820 0.129 0.000 1.845 40 A HA -0.365 4.034 4.320 0.131 0.000 0.215 40 A C 1.254 178.937 177.584 0.164 0.000 1.195 40 A CA 3.047 55.161 52.037 0.128 0.000 0.616 40 A CB -0.711 18.340 19.000 0.084 0.000 0.832 40 A HN 0.132 8.350 8.150 0.113 0.000 0.443 41 Y N -0.589 119.741 120.300 0.050 0.000 2.298 41 Y HA -0.423 4.157 4.550 0.050 0.000 0.287 41 Y C 1.873 177.820 175.900 0.078 0.000 1.164 41 Y CA 2.195 60.341 58.100 0.075 0.000 1.229 41 Y CB -0.500 38.030 38.460 0.117 0.000 0.977 41 Y HN -0.582 7.872 8.280 0.290 0.000 0.538 42 E N -0.861 119.341 120.200 0.003 0.000 2.107 42 E HA -0.423 3.723 4.350 -0.341 0.000 0.191 42 E C 1.640 178.099 176.600 -0.234 0.000 0.982 42 E CA 2.519 58.769 56.400 -0.251 0.000 0.809 42 E CB -0.174 29.341 29.700 -0.308 0.000 0.756 42 E HN -0.203 8.086 8.360 0.111 0.138 0.459 43 Y N 0.840 121.055 120.300 -0.141 0.000 2.089 43 Y HA -0.384 4.153 4.550 -0.021 0.000 0.282 43 Y C 1.908 177.741 175.900 -0.112 0.000 1.139 43 Y CA 3.353 61.407 58.100 -0.076 0.000 1.123 43 Y CB -0.045 38.390 38.460 -0.042 0.000 0.980 43 Y HN -0.617 7.637 8.280 0.126 0.101 0.493 44 L N -2.204 119.037 121.223 0.029 0.000 1.989 44 L HA -0.513 3.720 4.340 -0.178 0.000 0.211 44 L C 2.046 178.839 176.870 -0.129 0.000 1.071 44 L CA 4.101 58.774 54.840 -0.277 0.000 0.749 44 L CB -0.233 41.272 42.059 -0.924 0.000 0.890 44 L HN -0.485 7.755 8.230 0.017 0.000 0.431 45 C N -2.971 116.267 119.300 -0.103 0.000 2.401 45 C HA -0.524 4.081 4.460 0.242 0.000 0.276 45 C C 2.057 177.059 174.990 0.019 0.000 1.233 45 C CA 4.963 63.980 59.018 -0.001 0.000 1.753 45 C CB -0.506 27.093 27.740 -0.235 0.000 2.029 45 C HN -0.552 7.554 8.230 -0.207 0.000 0.478 46 H N 0.058 119.075 119.070 -0.088 0.000 2.319 46 H HA -0.250 4.259 4.556 -0.079 0.000 0.299 46 H C 2.408 177.786 175.328 0.084 0.000 1.092 46 H CA 3.246 59.239 56.048 -0.091 0.000 1.302 46 H CB -0.292 29.252 29.762 -0.364 0.000 1.373 46 H HN -0.557 7.563 8.280 -0.106 0.096 0.497 47 L N -0.972 120.392 121.223 0.234 0.000 2.012 47 L HA -0.384 4.084 4.340 0.213 0.000 0.210 47 L C 2.017 178.993 176.870 0.177 0.000 1.073 47 L CA 3.565 58.524 54.840 0.199 0.000 0.748 47 L CB -0.684 41.469 42.059 0.158 0.000 0.891 47 L HN -0.342 8.011 8.230 0.206 0.000 0.431 48 E N -3.381 116.937 120.200 0.198 0.000 2.219 48 E HA -0.366 4.090 4.350 0.177 0.000 0.198 48 E C 2.796 179.485 176.600 0.148 0.000 0.998 48 E CA 2.952 59.465 56.400 0.188 0.000 0.818 48 E CB -0.502 29.335 29.700 0.229 0.000 0.741 48 E HN -0.469 8.018 8.360 0.212 0.000 0.477 49 E N -0.432 119.863 120.200 0.158 0.000 2.086 49 E HA -0.113 4.318 4.350 0.135 0.000 0.190 49 E C 1.869 178.550 176.600 0.134 0.000 0.975 49 E CA 2.333 58.821 56.400 0.148 0.000 0.813 49 E CB -0.321 29.480 29.700 0.169 0.000 0.768 49 E HN -0.442 7.869 8.360 0.180 0.157 0.457 50 A N 0.294 123.177 122.820 0.105 0.000 1.986 50 A HA -0.392 3.866 4.320 -0.103 0.000 0.220 50 A C 1.686 179.351 177.584 0.136 0.000 1.171 50 A CA 3.584 55.641 52.037 0.033 0.000 0.640 50 A CB -0.855 18.170 19.000 0.042 0.000 0.811 50 A HN 0.226 8.406 8.150 0.162 0.067 0.451 51 K N -2.690 117.785 120.400 0.126 0.000 2.186 51 K HA -0.224 4.167 4.320 0.118 0.000 0.202 51 K C 1.543 178.216 176.600 0.121 0.000 1.052 51 K CA 2.705 59.061 56.287 0.115 0.000 0.965 51 K CB -0.031 32.518 32.500 0.082 0.000 0.746 51 K HN -0.336 7.965 8.250 0.121 0.021 0.457 52 R N 0.162 120.741 120.500 0.131 0.000 2.075 52 R HA -0.270 4.113 4.340 0.072 0.000 0.232 52 R C 2.238 178.616 176.300 0.130 0.000 1.126 52 R CA 3.239 59.405 56.100 0.111 0.000 0.963 52 R CB -0.512 29.854 30.300 0.110 0.000 0.858 52 R HN -0.865 7.381 8.270 0.136 0.105 0.435 53 W N -0.025 121.275 121.300 -0.001 0.000 2.409 53 W HA -0.293 4.368 4.660 0.003 0.000 0.299 53 W C 1.353 177.876 176.519 0.006 0.000 1.203 53 W CA 4.088 61.431 57.345 -0.004 0.000 1.298 53 W CB 0.075 29.518 29.460 -0.029 0.000 1.127 53 W HN 0.203 8.580 8.180 0.327 0.000 0.528 54 M N -1.205 118.564 119.600 0.281 0.000 2.086 54 M HA -0.553 3.932 4.480 0.008 0.000 0.261 54 M C 1.642 177.845 176.300 -0.161 0.000 1.067 54 M CA 4.047 59.399 55.300 0.087 0.000 1.116 54 M CB 0.072 32.804 32.600 0.221 0.000 1.348 54 M HN -0.635 7.893 8.290 0.396 0.000 0.407 55 E N -1.698 118.458 120.200 -0.074 0.000 2.208 55 E HA -0.265 4.000 4.350 -0.141 0.000 0.193 55 E C 1.792 178.302 176.600 -0.150 0.000 0.988 55 E CA 2.365 58.702 56.400 -0.104 0.000 0.828 55 E CB -1.159 28.524 29.700 -0.028 0.000 0.763 55 E HN -0.149 8.218 8.360 0.013 0.000 0.478 56 A N -0.435 122.284 122.820 -0.169 0.000 1.917 56 A HA -0.229 4.026 4.320 -0.107 0.000 0.219 56 A C 0.835 178.291 177.584 -0.213 0.000 1.182 56 A CA 2.749 54.679 52.037 -0.177 0.000 0.633 56 A CB -0.830 18.050 19.000 -0.200 0.000 0.819 56 A HN -0.101 7.747 8.150 -0.144 0.216 0.448 57 C N -3.702 115.403 119.300 -0.324 0.000 2.524 57 C HA -0.162 4.233 4.460 -0.110 0.000 0.284 57 C C 1.354 176.240 174.990 -0.174 0.000 1.346 57 C CA 1.272 60.176 59.018 -0.190 0.000 1.739 57 C CB 0.962 28.616 27.740 -0.143 0.000 2.119 57 C HN -0.689 7.259 8.230 -0.458 0.007 0.501 58 L N -0.112 120.849 121.223 -0.438 0.000 1.950 58 L HA -0.166 3.784 4.340 -0.651 0.000 0.210 58 L C 0.058 176.791 176.870 -0.229 0.000 1.079 58 L CA 1.879 56.412 54.840 -0.512 0.000 0.754 58 L CB 0.736 42.444 42.059 -0.584 0.000 0.889 58 L HN -0.524 7.423 8.230 -0.472 0.000 0.433 59 G N -3.361 105.333 108.800 -0.176 0.000 2.788 59 G HA2 -0.298 3.678 3.960 -0.081 0.000 0.301 59 G HA3 -0.298 3.612 3.960 -0.083 0.000 0.301 59 G C -1.799 173.054 174.900 -0.079 0.000 1.000 59 G CA -0.513 44.528 45.100 -0.100 0.000 1.267 59 G HN -0.007 8.099 8.290 -0.195 0.067 0.578 60 E N 1.071 121.237 120.200 -0.058 0.000 2.400 60 E HA 0.047 4.380 4.350 -0.029 0.000 0.285 60 E C -2.180 174.420 176.600 0.000 0.000 1.005 60 E CA -0.724 55.656 56.400 -0.034 0.000 0.816 60 E CB 3.286 32.953 29.700 -0.054 0.000 1.220 60 E HN -0.174 8.154 8.360 -0.053 0.000 0.426 61 D N 3.621 124.028 120.400 0.012 0.000 2.356 61 D HA -0.092 4.563 4.640 0.026 0.000 0.272 61 D C -0.852 175.485 176.300 0.062 0.000 1.337 61 D CA 1.126 55.144 54.000 0.031 0.000 0.970 61 D CB 0.037 40.854 40.800 0.027 0.000 1.092 61 D HN 0.125 8.498 8.370 0.004 0.000 0.516 62 L N 6.042 127.309 121.223 0.073 0.000 2.416 62 L HA 0.281 4.723 4.340 0.170 0.000 0.262 62 L C -1.458 175.459 176.870 0.078 0.000 1.093 62 L CA -2.343 52.564 54.840 0.112 0.000 0.801 62 L CB 0.821 42.948 42.059 0.112 0.000 1.191 62 L HN -0.333 7.930 8.230 0.055 0.000 0.459 63 P HA 0.202 4.656 4.420 0.055 0.000 0.273 63 P C -2.231 175.094 177.300 0.042 0.000 1.250 63 P CA -1.586 61.542 63.100 0.047 0.000 0.793 63 P CB -0.765 30.950 31.700 0.026 0.000 1.011 64 P HA 0.023 4.488 4.420 0.074 0.000 0.288 64 P C 0.289 177.643 177.300 0.089 0.000 1.291 64 P CA -0.775 62.368 63.100 0.072 0.000 0.766 64 P CB 0.956 32.700 31.700 0.074 0.000 1.242 65 T N -1.789 112.856 114.554 0.152 0.000 2.896 65 T HA -0.214 4.215 4.350 0.131 0.000 0.263 65 T C 1.520 176.289 174.700 0.114 0.000 1.050 65 T CA 3.816 66.022 62.100 0.177 0.000 1.140 65 T CB -0.448 68.642 68.868 0.369 0.000 0.877 65 T HN 0.537 8.884 8.240 0.178 0.000 0.457 66 T N -3.715 110.918 114.554 0.132 0.000 2.962 66 T HA -0.176 4.201 4.350 0.046 0.000 0.270 66 T C 0.929 175.654 174.700 0.041 0.000 1.088 66 T CA 2.472 64.618 62.100 0.076 0.000 1.127 66 T CB -0.232 68.692 68.868 0.094 0.000 0.883 66 T HN -0.132 8.214 8.240 0.177 0.000 0.493 67 E N -0.625 119.601 120.200 0.044 0.000 2.489 67 E HA 0.084 4.600 4.350 0.023 -0.152 0.204 67 E C 0.639 177.242 176.600 0.004 0.000 1.006 67 E CA -0.337 56.080 56.400 0.027 0.000 0.936 67 E CB 0.001 29.722 29.700 0.035 0.000 1.002 67 E HN -0.178 8.081 8.360 0.060 0.137 0.488 68 L N 0.944 122.167 121.223 -0.001 0.000 1.990 68 L HA -0.451 3.832 4.340 -0.095 0.000 0.213 68 L C 1.229 178.057 176.870 -0.070 0.000 1.072 68 L CA 3.713 58.524 54.840 -0.047 0.000 0.755 68 L CB -0.129 41.928 42.059 -0.004 0.000 0.889 68 L HN -0.341 7.726 8.230 0.027 0.179 0.432 69 E N -4.116 116.068 120.200 -0.027 0.000 2.267 69 E HA -0.437 3.897 4.350 -0.027 0.000 0.197 69 E C 1.858 178.448 176.600 -0.017 0.000 0.998 69 E CA 2.815 59.201 56.400 -0.022 0.000 0.830 69 E CB -0.469 29.223 29.700 -0.013 0.000 0.751 69 E HN 0.183 8.537 8.360 -0.009 0.000 0.491 70 E N -2.459 117.743 120.200 0.002 0.000 2.299 70 E HA -0.130 4.273 4.350 0.089 0.000 0.193 70 E C 1.655 178.305 176.600 0.084 0.000 0.998 70 E CA 1.379 57.821 56.400 0.069 0.000 0.851 70 E CB 0.104 29.850 29.700 0.077 0.000 0.795 70 E HN -0.222 7.958 8.360 -0.004 0.177 0.492 71 G N -0.857 107.909 108.800 -0.057 0.000 2.662 71 G HA2 -0.006 3.937 3.960 -0.028 0.000 0.212 71 G HA3 -0.006 3.771 3.960 -0.306 0.000 0.212 71 G C 0.494 175.175 174.900 -0.365 0.000 1.141 71 G CA 1.095 46.083 45.100 -0.188 0.000 0.797 71 G HN -0.137 7.930 8.290 -0.086 0.171 0.531 72 L N -0.840 120.202 121.223 -0.302 0.000 2.162 72 L HA -0.031 4.116 4.340 -0.322 0.000 0.205 72 L C 2.169 178.964 176.870 -0.125 0.000 1.086 72 L CA 1.468 56.159 54.840 -0.247 0.000 0.778 72 L CB -0.484 41.464 42.059 -0.184 0.000 0.928 72 L HN -0.129 7.970 8.230 -0.218 0.000 0.446 73 R N -3.898 116.557 120.500 -0.076 0.000 2.159 73 R HA -0.314 4.021 4.340 -0.008 0.000 0.237 73 R C 0.010 176.285 176.300 -0.042 0.000 1.131 73 R CA 1.724 57.812 56.100 -0.020 0.000 0.982 73 R CB -0.624 29.698 30.300 0.036 0.000 0.868 73 R HN -0.979 7.249 8.270 -0.069 0.000 0.453 74 N N -0.354 118.261 118.700 -0.141 0.000 2.497 74 N HA -0.069 4.542 4.740 -0.214 0.000 0.271 74 N C 1.562 177.051 175.510 -0.036 0.000 1.142 74 N CA -0.318 52.608 53.050 -0.208 0.000 0.965 74 N CB 0.491 38.693 38.487 -0.476 0.000 1.077 74 N HN -0.652 7.599 8.380 -0.154 0.037 0.462 75 G N 5.356 114.168 108.800 0.020 0.000 2.479 75 G HA2 -0.265 3.695 3.960 -0.001 0.000 0.220 75 G HA3 -0.265 3.968 3.960 0.040 -0.249 0.220 75 G C 0.989 175.902 174.900 0.021 0.000 1.115 75 G CA 1.727 46.842 45.100 0.025 0.000 0.757 75 G HN 0.599 8.922 8.290 0.055 0.000 0.560 76 V N 2.200 122.138 119.914 0.041 0.000 2.324 76 V HA -0.542 3.565 4.120 -0.023 0.000 0.250 76 V C 0.712 176.761 176.094 -0.075 0.000 1.060 76 V CA 3.929 66.223 62.300 -0.009 0.000 1.042 76 V CB 0.074 31.899 31.823 0.003 0.000 0.650 76 V HN 0.265 8.886 8.190 0.071 -0.389 0.450 77 Y N -3.433 116.815 120.300 -0.086 0.000 2.475 77 Y HA -0.267 4.240 4.550 -0.072 0.000 0.289 77 Y C 1.980 177.783 175.900 -0.161 0.000 1.121 77 Y CA 3.347 61.385 58.100 -0.104 0.000 1.257 77 Y CB 0.109 38.501 38.460 -0.113 0.000 1.026 77 Y HN -0.728 7.660 8.280 0.194 0.009 0.555 78 L N -1.028 120.156 121.223 -0.064 0.000 2.056 78 L HA -0.407 3.572 4.340 -0.603 0.000 0.207 78 L C 1.956 178.803 176.870 -0.039 0.000 1.078 78 L CA 2.492 57.182 54.840 -0.250 0.000 0.749 78 L CB -1.295 40.672 42.059 -0.153 0.000 0.901 78 L HN -0.632 7.439 8.230 -0.013 0.151 0.433 79 A N -1.224 121.611 122.820 0.026 0.000 1.898 79 A HA -0.272 4.127 4.320 0.131 0.000 0.214 79 A C 1.549 179.162 177.584 0.048 0.000 1.183 79 A CA 2.778 54.853 52.037 0.062 0.000 0.622 79 A CB -0.218 18.791 19.000 0.014 0.000 0.824 79 A HN 0.293 8.441 8.150 -0.003 0.000 0.444 80 K N -1.755 118.639 120.400 -0.010 0.000 2.103 80 K HA -0.359 3.949 4.320 -0.020 0.000 0.207 80 K C 2.453 179.107 176.600 0.091 0.000 1.048 80 K CA 2.978 59.251 56.287 -0.024 0.000 0.930 80 K CB -0.170 32.232 32.500 -0.164 0.000 0.716 80 K HN -0.708 7.514 8.250 -0.047 0.000 0.444 81 L N -2.008 119.307 121.223 0.154 0.000 2.131 81 L HA -0.173 4.400 4.340 0.389 0.000 0.206 81 L C 1.440 178.619 176.870 0.516 0.000 1.087 81 L CA 2.366 57.422 54.840 0.361 0.000 0.767 81 L CB 0.107 42.354 42.059 0.313 0.000 0.917 81 L HN -0.588 7.680 8.230 0.082 0.011 0.441 82 G N -4.326 104.735 108.800 0.435 0.000 2.920 82 G HA2 -0.221 3.826 3.960 0.144 0.000 0.208 82 G HA3 -0.221 3.966 3.960 0.377 0.000 0.208 82 G C -0.376 174.331 174.900 -0.321 0.000 1.159 82 G CA 1.151 46.355 45.100 0.174 0.000 0.784 82 G HN -0.485 7.957 8.290 0.383 0.078 0.535 83 N N -1.766 116.857 118.700 -0.129 0.000 2.317 83 N HA 0.003 4.741 4.740 -0.238 -0.141 0.199 83 N C 0.461 175.946 175.510 -0.041 0.000 1.145 83 N CA -0.167 52.803 53.050 -0.134 0.000 0.882 83 N CB 1.049 39.517 38.487 -0.032 0.000 1.113 83 N HN -0.632 7.578 8.380 0.049 0.199 0.486 84 F N 1.516 121.421 119.950 -0.075 0.000 2.269 84 F HA -0.234 4.294 4.527 0.003 0.000 0.301 84 F C -0.097 175.761 175.800 0.098 0.000 1.082 84 F CA 2.188 60.210 58.000 0.038 0.000 1.360 84 F CB 0.227 39.305 39.000 0.130 0.000 1.041 84 F HN -0.345 8.102 8.300 0.244 0.000 0.512 85 F N -6.223 113.726 119.950 -0.000 0.000 2.699 85 F HA 0.238 4.604 4.527 -0.268 0.000 0.295 85 F C -0.422 175.353 175.800 -0.041 0.000 1.052 85 F CA -0.359 57.573 58.000 -0.112 0.000 1.239 85 F CB 0.589 39.561 39.000 -0.047 0.000 1.018 85 F HN -0.630 7.468 8.300 -0.280 0.034 0.627 86 S N -0.197 115.003 115.700 -0.834 0.000 2.128 86 S HA 0.489 4.854 4.470 -0.174 0.000 0.157 86 S C -1.618 172.779 174.600 -0.338 0.000 1.650 86 S CA -3.695 54.228 58.200 -0.461 0.000 1.269 86 S CB 0.169 63.112 63.200 -0.428 0.000 1.227 86 S HN -0.421 7.002 8.310 -1.479 0.000 0.405 87 P HA 0.017 4.363 4.420 -0.123 0.000 0.234 87 P C -0.419 176.829 177.300 -0.086 0.000 1.167 87 P CA 0.874 63.902 63.100 -0.121 0.000 0.763 87 P CB 0.556 32.211 31.700 -0.074 0.000 0.835 88 K N -3.449 116.902 120.400 -0.082 0.000 2.020 88 K HA -0.100 4.193 4.320 -0.045 0.000 0.206 88 K C 1.636 178.206 176.600 -0.049 0.000 1.038 88 K CA 2.180 58.436 56.287 -0.052 0.000 0.947 88 K CB -0.513 31.965 32.500 -0.036 0.000 0.744 88 K HN -0.415 7.700 8.250 -0.098 0.076 0.442 89 V N -2.290 117.592 119.914 -0.053 0.000 2.546 89 V HA -0.254 3.850 4.120 -0.028 0.000 0.254 89 V C 0.251 176.316 176.094 -0.048 0.000 1.076 89 V CA 1.757 64.032 62.300 -0.042 0.000 1.087 89 V CB 0.276 32.078 31.823 -0.034 0.000 0.674 89 V HN -0.446 7.708 8.190 -0.059 0.000 0.470 90 V N -4.342 115.534 119.914 -0.064 0.000 2.439 90 V HA 0.172 4.272 4.120 -0.033 0.000 0.282 90 V C -0.727 175.342 176.094 -0.042 0.000 1.039 90 V CA -1.971 60.301 62.300 -0.047 0.000 0.913 90 V CB 1.048 32.844 31.823 -0.046 0.000 0.983 90 V HN -0.874 7.231 8.190 -0.087 0.032 0.460 91 S N 3.169 118.848 115.700 -0.035 0.000 2.572 91 S HA -0.180 4.269 4.470 -0.036 0.000 0.262 91 S C -0.046 174.530 174.600 -0.040 0.000 1.375 91 S CA 1.803 59.980 58.200 -0.038 0.000 0.996 91 S CB 0.640 63.816 63.200 -0.040 0.000 0.892 91 S HN 0.026 8.317 8.310 -0.031 0.000 0.562 92 L N -2.449 118.749 121.223 -0.041 0.000 2.325 92 L HA 0.321 4.637 4.340 -0.040 0.000 0.278 92 L C -0.369 176.472 176.870 -0.049 0.000 1.023 92 L CA 0.068 54.883 54.840 -0.041 0.000 0.811 92 L CB 0.949 42.986 42.059 -0.036 0.000 1.249 92 L HN -0.253 7.952 8.230 -0.041 0.000 0.431 93 K N -2.184 118.186 120.400 -0.050 0.000 3.160 93 K HA -0.330 3.956 4.320 -0.055 0.000 0.280 93 K C 0.112 176.663 176.600 -0.081 0.000 1.154 93 K CA 0.966 57.217 56.287 -0.061 0.000 0.822 93 K CB -2.072 30.391 32.500 -0.062 0.000 1.239 93 K HN 0.409 8.633 8.250 -0.043 0.000 0.489 94 K N -2.454 117.902 120.400 -0.073 0.000 2.103 94 K HA -0.153 4.107 4.320 -0.101 0.000 0.204 94 K C 0.340 176.879 176.600 -0.102 0.000 1.052 94 K CA 0.592 56.828 56.287 -0.086 0.000 0.945 94 K CB 0.537 33.001 32.500 -0.061 0.000 0.722 94 K HN 0.158 8.346 8.250 -0.059 0.027 0.443 95 I N -2.899 117.626 120.570 -0.075 0.000 2.892 95 I HA -0.184 3.952 4.170 -0.057 0.000 0.287 95 I C 0.031 176.118 176.117 -0.051 0.000 1.205 95 I CA 0.385 61.652 61.300 -0.056 0.000 1.409 95 I CB 0.447 38.423 38.000 -0.041 0.000 1.367 95 I HN -0.680 7.492 8.210 -0.062 0.000 0.597 96 Y N 8.704 128.921 120.300 -0.139 0.000 2.570 96 Y HA -0.204 4.271 4.550 -0.125 0.000 0.336 96 Y C 0.005 175.869 175.900 -0.059 0.000 1.284 96 Y CA -0.554 57.470 58.100 -0.127 0.000 1.761 96 Y CB -1.402 36.938 38.460 -0.201 0.000 1.724 96 Y HN 0.402 8.717 8.280 0.059 0.000 0.455 97 D N 2.611 123.089 120.400 0.131 0.000 3.077 97 D HA -0.401 4.265 4.640 0.043 0.000 0.217 97 D C -1.217 175.123 176.300 0.066 0.000 1.162 97 D CA 1.392 55.452 54.000 0.100 0.000 0.943 97 D CB -0.068 40.829 40.800 0.162 0.000 1.122 97 D HN -0.032 8.310 8.370 0.015 0.037 0.413 98 R N -5.574 114.955 120.500 0.049 0.000 3.484 98 R HA -0.406 3.930 4.340 -0.007 0.000 0.260 98 R C -0.718 175.594 176.300 0.020 0.000 1.053 98 R CA 1.418 57.522 56.100 0.006 0.000 0.703 98 R CB -1.036 29.245 30.300 -0.031 0.000 1.089 98 R HN 0.042 8.279 8.270 0.058 0.068 0.459 99 E N -1.952 118.284 120.200 0.060 0.000 2.421 99 E HA 0.061 4.435 4.350 0.041 0.000 0.209 99 E C -0.869 175.780 176.600 0.081 0.000 0.871 99 E CA -0.257 56.177 56.400 0.057 0.000 1.064 99 E CB 1.255 30.988 29.700 0.054 0.000 1.075 99 E HN -0.633 7.765 8.360 0.092 0.017 0.513 100 Q N -3.947 115.920 119.800 0.112 0.000 2.461 100 Q HA -0.438 4.052 4.340 0.250 0.000 0.273 100 Q C 0.386 176.491 176.000 0.174 0.000 1.163 100 Q CA 1.216 57.132 55.803 0.187 0.000 0.929 100 Q CB -2.550 26.307 28.738 0.198 0.000 1.334 100 Q HN -0.340 7.997 8.270 0.112 0.000 0.499 101 T N -4.110 110.490 114.554 0.076 0.000 2.770 101 T HA -0.302 4.085 4.350 0.063 0.000 0.263 101 T C 1.151 175.875 174.700 0.038 0.000 1.039 101 T CA 2.378 64.504 62.100 0.044 0.000 1.142 101 T CB -0.058 68.813 68.868 0.005 0.000 0.868 101 T HN 0.240 8.481 8.240 0.036 0.021 0.435 102 R N 0.700 121.189 120.500 -0.017 0.000 2.152 102 R HA -0.252 4.095 4.340 0.011 0.000 0.232 102 R C 1.531 177.980 176.300 0.249 0.000 1.117 102 R CA 2.560 58.670 56.100 0.017 0.000 0.981 102 R CB -1.210 28.935 30.300 -0.259 0.000 0.870 102 R HN 0.383 8.585 8.270 -0.114 0.000 0.451 103 Y N 0.792 121.153 120.300 0.102 0.000 2.109 103 Y HA -0.178 4.596 4.550 -0.040 -0.248 0.285 103 Y C 1.585 177.475 175.900 -0.017 0.000 1.131 103 Y CA 2.055 60.154 58.100 -0.002 0.000 1.121 103 Y CB -0.360 38.060 38.460 -0.067 0.000 0.987 103 Y HN -0.310 8.021 8.280 0.297 0.127 0.495 104 K N -2.667 117.657 120.400 -0.126 0.000 2.218 104 K HA -0.482 3.585 4.320 -0.420 0.000 0.205 104 K C 1.937 178.434 176.600 -0.172 0.000 1.046 104 K CA 2.601 58.759 56.287 -0.215 0.000 0.933 104 K CB -0.589 31.892 32.500 -0.033 0.000 0.728 104 K HN -0.768 7.564 8.250 0.137 0.000 0.454 105 A N -0.680 122.091 122.820 -0.082 0.000 1.842 105 A HA -0.184 4.113 4.320 -0.039 0.000 0.217 105 A C 1.418 178.952 177.584 -0.084 0.000 1.206 105 A CA 2.660 54.671 52.037 -0.044 0.000 0.630 105 A CB -0.236 18.779 19.000 0.025 0.000 0.839 105 A HN -0.390 7.615 8.150 -0.029 0.128 0.447 106 T N -5.014 109.474 114.554 -0.110 0.000 3.115 106 T HA 0.083 4.356 4.350 -0.128 0.000 0.256 106 T C 0.046 174.586 174.700 -0.266 0.000 0.970 106 T CA -0.157 61.854 62.100 -0.148 0.000 1.010 106 T CB 2.255 71.072 68.868 -0.084 0.000 1.151 106 T HN -0.551 7.643 8.240 -0.077 0.000 0.479 107 G N -0.603 107.975 108.800 -0.370 0.000 2.439 107 G HA2 -0.079 3.490 3.960 -0.742 0.000 0.186 107 G HA3 -0.079 3.714 3.960 -0.280 0.000 0.186 107 G C -2.625 172.095 174.900 -0.301 0.000 1.260 107 G CA -0.218 44.639 45.100 -0.405 0.000 1.020 107 G HN -0.907 7.189 8.290 -0.323 0.000 0.470 108 L N 2.048 123.222 121.223 -0.080 0.000 2.349 108 L HA 0.074 4.321 4.340 -0.154 0.000 0.275 108 L C -0.005 176.791 176.870 -0.124 0.000 1.115 108 L CA 0.060 54.883 54.840 -0.028 0.000 0.820 108 L CB 0.879 43.114 42.059 0.294 0.000 1.135 108 L HN 0.248 8.491 8.230 0.021 0.000 0.445 109 H N 3.654 122.879 119.070 0.259 0.000 2.469 109 H HA 0.218 4.918 4.556 0.240 0.000 0.286 109 H C -0.013 175.528 175.328 0.355 0.000 1.106 109 H CA -1.328 54.890 56.048 0.283 0.000 1.055 109 H CB -0.134 29.792 29.762 0.272 0.000 1.618 109 H HN 0.424 8.993 8.280 0.481 0.000 0.559 110 F N -2.827 117.224 119.950 0.168 0.000 3.034 110 F HA -0.444 4.004 4.527 -0.131 0.000 0.286 110 F C -1.621 174.231 175.800 0.086 0.000 0.804 110 F CA 1.189 59.210 58.000 0.034 0.000 1.161 110 F CB -0.913 38.108 39.000 0.035 0.000 1.317 110 F HN 0.097 8.512 8.300 0.326 0.081 0.453 111 R N -3.595 117.016 120.500 0.185 0.000 2.310 111 R HA 0.039 4.354 4.340 -0.040 0.000 0.199 111 R C 1.029 177.352 176.300 0.038 0.000 0.891 111 R CA 0.569 56.724 56.100 0.091 0.000 1.060 111 R CB -0.094 30.319 30.300 0.188 0.000 1.188 111 R HN -0.231 8.223 8.270 0.383 0.046 0.607 112 H N 0.738 119.840 119.070 0.053 0.000 2.423 112 H HA 0.023 4.733 4.556 0.056 -0.121 0.297 112 H C 1.730 177.020 175.328 -0.063 0.000 1.075 112 H CA 2.928 58.993 56.048 0.028 0.000 1.342 112 H CB -0.805 28.987 29.762 0.050 0.000 1.395 112 H HN 0.225 8.871 8.280 0.609 0.000 0.530 113 T N -3.067 111.470 114.554 -0.028 0.000 2.849 113 T HA -0.349 3.961 4.350 -0.067 0.000 0.270 113 T C 1.391 176.017 174.700 -0.124 0.000 1.066 113 T CA 3.801 65.818 62.100 -0.138 0.000 1.130 113 T CB -1.344 67.310 68.868 -0.357 0.000 0.864 113 T HN 0.124 8.318 8.240 -0.041 0.021 0.481 114 D N 1.372 121.686 120.400 -0.144 0.000 2.133 114 D HA -0.354 4.207 4.640 -0.132 0.000 0.195 114 D C 2.007 178.274 176.300 -0.054 0.000 0.997 114 D CA 3.193 57.124 54.000 -0.115 0.000 0.840 114 D CB -0.709 40.021 40.800 -0.117 0.000 0.947 114 D HN -0.552 7.587 8.370 -0.158 0.137 0.452 115 N N -1.135 117.544 118.700 -0.035 0.000 2.289 115 N HA -0.212 4.525 4.740 -0.005 0.000 0.184 115 N C 2.059 177.600 175.510 0.050 0.000 1.016 115 N CA 2.653 55.703 53.050 -0.000 0.000 0.872 115 N CB -0.191 38.292 38.487 -0.006 0.000 0.973 115 N HN -0.458 7.892 8.380 -0.044 0.004 0.433 116 V N 0.578 120.517 119.914 0.043 0.000 2.270 116 V HA -0.428 3.769 4.120 0.128 0.000 0.245 116 V C 1.555 177.742 176.094 0.154 0.000 1.043 116 V CA 3.642 66.003 62.300 0.102 0.000 1.014 116 V CB -0.482 31.377 31.823 0.060 0.000 0.645 116 V HN -0.381 7.660 8.190 0.007 0.153 0.447 117 I N -1.144 119.463 120.570 0.061 0.000 2.194 117 I HA -0.608 3.587 4.170 0.041 0.000 0.246 117 I C 2.288 178.428 176.117 0.038 0.000 1.093 117 I CA 4.255 65.576 61.300 0.035 0.000 1.355 117 I CB -0.588 37.403 38.000 -0.015 0.000 1.046 117 I HN -0.609 7.609 8.210 0.014 0.000 0.413 118 Q N -1.780 118.049 119.800 0.048 0.000 2.061 118 Q HA -0.356 3.983 4.340 -0.001 0.000 0.204 118 Q C 2.367 178.413 176.000 0.077 0.000 0.984 118 Q CA 2.676 58.502 55.803 0.039 0.000 0.846 118 Q CB -0.647 28.111 28.738 0.034 0.000 0.902 118 Q HN -0.667 7.622 8.270 0.041 0.005 0.421 119 W N 0.786 122.067 121.300 -0.030 0.000 2.342 119 W HA -0.333 4.332 4.660 0.009 0.000 0.297 119 W C 1.801 178.306 176.519 -0.025 0.000 1.213 119 W CA 3.607 60.952 57.345 -0.000 0.000 1.251 119 W CB -0.318 29.162 29.460 0.033 0.000 1.136 119 W HN -0.643 7.642 8.180 0.299 0.074 0.526 120 L N -3.087 118.084 121.223 -0.087 0.000 2.141 120 L HA -0.295 3.645 4.340 -0.665 0.000 0.209 120 L C 2.004 178.609 176.870 -0.441 0.000 1.094 120 L CA 2.470 57.086 54.840 -0.374 0.000 0.763 120 L CB -0.377 41.572 42.059 -0.183 0.000 0.908 120 L HN -0.443 7.769 8.230 0.140 0.103 0.437 121 N N -0.673 117.880 118.700 -0.245 0.000 2.396 121 N HA -0.191 4.414 4.740 -0.225 0.000 0.180 121 N C 2.028 177.437 175.510 -0.169 0.000 1.028 121 N CA 2.273 55.209 53.050 -0.190 0.000 0.893 121 N CB -0.750 37.680 38.487 -0.094 0.000 0.967 121 N HN -0.559 7.605 8.380 -0.145 0.129 0.440 122 A N 1.183 123.894 122.820 -0.182 0.000 2.032 122 A HA -0.274 4.025 4.320 -0.036 0.000 0.221 122 A C 1.644 179.188 177.584 -0.067 0.000 1.165 122 A CA 2.840 54.825 52.037 -0.088 0.000 0.645 122 A CB -0.742 18.226 19.000 -0.055 0.000 0.807 122 A HN -0.290 7.583 8.150 -0.212 0.149 0.453 123 M N -2.378 117.073 119.600 -0.248 0.000 2.202 123 M HA -0.322 3.949 4.480 -0.349 0.000 0.262 123 M C 1.641 177.906 176.300 -0.058 0.000 1.063 123 M CA 1.152 56.308 55.300 -0.240 0.000 1.097 123 M CB -1.754 30.672 32.600 -0.291 0.000 1.382 123 M HN -0.637 7.392 8.290 -0.380 0.033 0.413 124 D N -1.397 118.990 120.400 -0.022 0.000 2.265 124 D HA -0.285 4.402 4.640 0.077 0.000 0.208 124 D C 1.090 177.422 176.300 0.054 0.000 0.977 124 D CA 2.609 56.633 54.000 0.039 0.000 0.871 124 D CB -0.039 40.775 40.800 0.024 0.000 0.925 124 D HN -0.101 8.075 8.370 -0.086 0.143 0.485 125 E N -1.538 118.709 120.200 0.079 0.000 2.130 125 E HA -0.256 4.150 4.350 0.095 0.000 0.196 125 E C 1.146 177.833 176.600 0.145 0.000 0.998 125 E CA 2.218 58.699 56.400 0.135 0.000 0.806 125 E CB 0.040 29.892 29.700 0.252 0.000 0.738 125 E HN -0.288 7.929 8.360 0.062 0.179 0.459 126 I N -4.838 115.821 120.570 0.148 0.000 4.244 126 I HA 0.049 4.292 4.170 0.123 0.000 0.318 126 I C -0.138 176.019 176.117 0.068 0.000 1.282 126 I CA -0.557 60.825 61.300 0.137 0.000 1.276 126 I CB 2.165 40.322 38.000 0.262 0.000 1.183 126 I HN -0.566 7.695 8.210 0.112 0.017 0.431 127 G N 0.314 109.141 108.800 0.046 0.000 2.215 127 G HA2 -0.269 3.729 3.960 0.064 0.000 0.198 127 G HA3 -0.269 3.710 3.960 0.031 0.000 0.198 127 G C -0.538 174.375 174.900 0.022 0.000 1.047 127 G CA -0.410 44.715 45.100 0.041 0.000 0.747 127 G HN -0.118 8.195 8.290 0.037 0.000 0.495 128 L N 0.368 121.602 121.223 0.018 0.000 2.503 128 L HA -0.033 4.316 4.340 0.014 0.000 0.287 128 L C -0.777 176.094 176.870 0.001 0.000 1.252 128 L CA -0.519 54.339 54.840 0.030 0.000 0.835 128 L CB -0.528 41.530 42.059 -0.002 0.000 1.099 128 L HN -0.739 7.485 8.230 -0.010 0.000 0.516 129 P HA 0.117 4.413 4.420 -0.205 0.000 0.288 129 P C -0.548 176.522 177.300 -0.384 0.000 1.291 129 P CA -0.793 62.210 63.100 -0.161 0.000 0.766 129 P CB 0.564 32.209 31.700 -0.092 0.000 1.242 130 K N -3.191 116.970 120.400 -0.398 0.000 2.305 130 K HA -0.018 3.828 4.320 -0.790 0.000 0.199 130 K C 2.203 178.691 176.600 -0.187 0.000 1.047 130 K CA 1.626 57.663 56.287 -0.417 0.000 0.976 130 K CB -0.611 31.716 32.500 -0.288 0.000 0.765 130 K HN 0.161 8.233 8.250 -0.296 0.000 0.474 131 I N -7.054 113.355 120.570 -0.268 0.000 2.530 131 I HA -0.272 3.761 4.170 -0.229 0.000 0.257 131 I C -0.760 175.122 176.117 -0.391 0.000 1.179 131 I CA 2.390 63.465 61.300 -0.374 0.000 1.440 131 I CB -0.622 37.018 38.000 -0.600 0.000 1.087 131 I HN -0.298 7.709 8.210 -0.290 0.029 0.440 132 F N -4.193 115.792 119.950 0.058 0.000 2.772 132 F HA 0.107 4.661 4.527 0.043 0.000 0.302 132 F C -1.365 174.552 175.800 0.196 0.000 1.136 132 F CA -1.755 56.285 58.000 0.066 0.000 1.322 132 F CB -0.476 38.498 39.000 -0.044 0.000 0.967 132 F HN -0.996 7.222 8.300 -0.055 0.049 0.513 133 Y N 0.304 120.625 120.300 0.035 0.000 2.960 133 Y HA 0.256 4.786 4.550 -0.034 0.000 0.343 133 Y C -1.627 174.298 175.900 0.042 0.000 1.106 133 Y CA -3.821 54.281 58.100 0.003 0.000 1.221 133 Y CB -0.040 38.410 38.460 -0.017 0.000 1.232 133 Y HN -0.524 7.761 8.280 0.280 0.162 0.577 134 P HA 0.040 4.563 4.420 0.172 0.000 0.271 134 P C -1.323 176.064 177.300 0.145 0.000 1.216 134 P CA -0.618 62.591 63.100 0.181 0.000 0.776 134 P CB 0.453 32.322 31.700 0.282 0.000 0.881 135 E N 1.778 122.058 120.200 0.132 0.000 2.280 135 E HA 0.131 4.538 4.350 0.094 0.000 0.264 135 E C 1.096 177.767 176.600 0.118 0.000 1.064 135 E CA -0.819 55.646 56.400 0.108 0.000 0.900 135 E CB 1.423 31.178 29.700 0.091 0.000 1.123 135 E HN 0.290 8.728 8.360 0.131 0.000 0.418 136 T N 0.431 115.045 114.554 0.101 0.000 2.995 136 T HA -0.079 4.341 4.350 0.116 0.000 0.269 136 T C 1.235 176.013 174.700 0.131 0.000 1.091 136 T CA 3.627 65.789 62.100 0.103 0.000 1.128 136 T CB -0.486 68.415 68.868 0.056 0.000 0.891 136 T HN 0.359 8.649 8.240 0.084 0.000 0.492 137 T N -1.774 112.851 114.554 0.119 0.000 2.849 137 T HA -0.320 4.131 4.350 0.169 0.000 0.270 137 T C 0.522 175.286 174.700 0.108 0.000 1.066 137 T CA 2.992 65.168 62.100 0.126 0.000 1.130 137 T CB -0.982 67.940 68.868 0.091 0.000 0.864 137 T HN 0.214 8.480 8.240 0.102 0.035 0.481 138 D N -0.977 119.481 120.400 0.097 0.000 2.301 138 D HA 0.027 4.690 4.640 0.039 0.000 0.206 138 D C 1.532 177.883 176.300 0.085 0.000 0.979 138 D CA 0.912 54.956 54.000 0.073 0.000 0.874 138 D CB 0.998 41.844 40.800 0.078 0.000 0.968 138 D HN -0.782 7.618 8.370 0.105 0.033 0.510 139 I N -1.078 119.563 120.570 0.118 0.000 2.761 139 I HA -0.282 3.937 4.170 0.081 0.000 0.261 139 I C 0.029 176.252 176.117 0.176 0.000 1.198 139 I CA 0.657 62.026 61.300 0.115 0.000 1.482 139 I CB -0.576 37.487 38.000 0.105 0.000 1.100 139 I HN -0.772 7.403 8.210 0.129 0.112 0.445 140 Y N -1.316 119.001 120.300 0.029 0.000 2.746 140 Y HA 0.018 4.589 4.550 0.035 0.000 0.312 140 Y C -1.899 174.015 175.900 0.023 0.000 1.117 140 Y CA -1.926 56.196 58.100 0.036 0.000 1.324 140 Y CB -0.270 38.226 38.460 0.059 0.000 1.173 140 Y HN -0.579 7.811 8.280 0.246 0.038 0.529 141 D N 0.384 120.762 120.400 -0.036 0.000 2.440 141 D HA 0.141 4.656 4.640 -0.208 0.000 0.252 141 D C -0.706 175.535 176.300 -0.099 0.000 1.180 141 D CA -0.813 53.116 54.000 -0.120 0.000 0.894 141 D CB 1.235 41.980 40.800 -0.091 0.000 1.111 141 D HN -0.732 7.567 8.370 0.035 0.092 0.544 142 R N 5.978 126.403 120.500 -0.125 0.000 4.860 142 R HA -0.096 4.215 4.340 -0.048 0.000 0.191 142 R C -0.487 175.768 176.300 -0.075 0.000 1.936 142 R CA 0.865 56.918 56.100 -0.078 0.000 1.609 142 R CB -1.691 28.562 30.300 -0.077 0.000 1.392 142 R HN 0.551 8.711 8.270 -0.184 0.000 0.844 143 K N -0.987 119.363 120.400 -0.083 0.000 2.907 143 K HA 0.009 4.300 4.320 -0.048 0.000 0.175 143 K C -1.810 174.735 176.600 -0.091 0.000 1.860 143 K CA 0.810 57.049 56.287 -0.080 0.000 1.404 143 K CB 3.077 35.512 32.500 -0.108 0.000 2.100 143 K HN 0.370 8.481 8.250 -0.084 0.088 0.616 144 N N -0.451 118.175 118.700 -0.122 0.000 2.336 144 N HA 0.254 4.959 4.740 -0.057 0.000 0.290 144 N C -2.175 173.312 175.510 -0.039 0.000 1.058 144 N CA 0.101 53.094 53.050 -0.095 0.000 0.865 144 N CB 3.114 41.485 38.487 -0.193 0.000 1.581 144 N HN -0.476 7.826 8.380 -0.131 0.000 0.480 145 M N -3.643 115.971 119.600 0.022 0.000 5.137 145 M HA 0.346 5.279 4.480 0.059 -0.417 0.603 145 M C -2.408 173.973 176.300 0.134 0.000 2.327 145 M CA -1.089 54.250 55.300 0.065 0.000 0.365 145 M CB 0.273 32.903 32.600 0.050 0.000 1.978 145 M HN 0.109 8.420 8.290 0.035 0.000 0.650 146 P HA 0.123 4.752 4.420 0.350 0.000 0.216 146 P C 1.722 179.144 177.300 0.203 0.000 1.153 146 P CA 1.965 65.205 63.100 0.233 0.000 0.844 146 P CB 0.523 32.340 31.700 0.195 0.000 0.787 147 R N -2.344 118.262 120.500 0.177 0.000 2.139 147 R HA -0.370 4.140 4.340 0.284 0.000 0.243 147 R C 2.315 178.776 176.300 0.269 0.000 1.145 147 R CA 3.743 59.983 56.100 0.232 0.000 0.976 147 R CB -0.439 29.976 30.300 0.192 0.000 0.866 147 R HN -0.301 8.187 8.270 0.141 -0.133 0.449 148 C N -1.571 117.854 119.300 0.208 0.000 2.496 148 C HA -0.253 4.323 4.460 0.193 0.000 0.281 148 C C 1.643 176.735 174.990 0.171 0.000 1.250 148 C CA 3.861 62.975 59.018 0.160 0.000 1.717 148 C CB -0.162 27.619 27.740 0.069 0.000 2.082 148 C HN -0.704 7.601 8.230 0.177 0.031 0.472 149 I N -0.685 119.999 120.570 0.191 0.000 2.127 149 I HA -0.496 3.792 4.170 0.197 0.000 0.241 149 I C 2.003 178.301 176.117 0.302 0.000 1.075 149 I CA 2.434 63.875 61.300 0.235 0.000 1.334 149 I CB -1.404 36.746 38.000 0.250 0.000 1.040 149 I HN -0.845 7.481 8.210 0.193 0.000 0.405 150 Y N 0.650 121.006 120.300 0.092 0.000 2.114 150 Y HA -0.445 3.990 4.550 -0.190 0.000 0.282 150 Y C 1.887 177.837 175.900 0.084 0.000 1.165 150 Y CA 3.637 61.705 58.100 -0.055 0.000 1.148 150 Y CB -0.448 37.906 38.460 -0.177 0.000 0.972 150 Y HN 0.109 8.572 8.280 0.305 0.000 0.504 151 C N -1.263 118.076 119.300 0.066 0.000 2.413 151 C HA -0.426 3.958 4.460 -0.127 0.000 0.276 151 C C 2.301 177.341 174.990 0.083 0.000 1.236 151 C CA 4.202 63.260 59.018 0.067 0.000 1.735 151 C CB -1.116 26.859 27.740 0.391 0.000 2.031 151 C HN -0.306 8.076 8.230 0.253 0.000 0.474 152 I N -0.710 119.969 120.570 0.181 0.000 2.335 152 I HA -0.574 3.727 4.170 0.219 0.000 0.251 152 I C 1.876 177.946 176.117 -0.079 0.000 1.129 152 I CA 4.134 65.503 61.300 0.115 0.000 1.402 152 I CB -0.358 37.690 38.000 0.081 0.000 1.069 152 I HN -0.255 8.012 8.210 0.212 0.070 0.424 153 H N -1.958 117.033 119.070 -0.132 0.000 2.395 153 H HA -0.146 4.269 4.556 -0.235 0.000 0.299 153 H C 2.176 177.337 175.328 -0.279 0.000 1.070 153 H CA 3.758 59.695 56.048 -0.184 0.000 1.356 153 H CB 0.362 30.125 29.762 0.002 0.000 1.401 153 H HN -0.410 7.830 8.280 0.169 0.140 0.524 154 A N -0.122 122.549 122.820 -0.248 0.000 2.014 154 A HA -0.176 3.973 4.320 -0.284 0.000 0.218 154 A C 1.437 178.822 177.584 -0.331 0.000 1.163 154 A CA 2.385 54.195 52.037 -0.377 0.000 0.652 154 A CB -0.544 18.044 19.000 -0.688 0.000 0.808 154 A HN -0.679 7.211 8.150 -0.267 0.100 0.449 155 L N -2.584 118.491 121.223 -0.247 0.000 2.187 155 L HA -0.367 3.925 4.340 -0.080 0.000 0.213 155 L C 1.637 178.409 176.870 -0.163 0.000 1.100 155 L CA 3.035 57.797 54.840 -0.129 0.000 0.765 155 L CB -0.576 41.490 42.059 0.011 0.000 0.904 155 L HN -0.045 7.939 8.230 -0.206 0.122 0.437 156 S N 0.375 115.877 115.700 -0.329 0.000 2.351 156 S HA -0.334 3.941 4.470 -0.324 0.000 0.220 156 S C 1.776 176.322 174.600 -0.091 0.000 1.035 156 S CA 3.532 61.522 58.200 -0.349 0.000 1.031 156 S CB -0.340 62.511 63.200 -0.581 0.000 0.928 156 S HN -0.644 7.401 8.310 -0.387 0.033 0.433 157 L N 0.760 121.943 121.223 -0.066 0.000 2.141 157 L HA -0.295 4.170 4.340 0.208 0.000 0.209 157 L C 1.996 178.910 176.870 0.073 0.000 1.094 157 L CA 2.371 57.255 54.840 0.073 0.000 0.763 157 L CB -0.626 41.457 42.059 0.040 0.000 0.908 157 L HN -0.801 7.348 8.230 -0.135 0.000 0.437 158 Y N 0.194 120.393 120.300 -0.167 0.000 2.053 158 Y HA -0.480 3.954 4.550 -0.194 0.000 0.277 158 Y C 1.580 177.389 175.900 -0.151 0.000 1.159 158 Y CA 2.638 60.611 58.100 -0.210 0.000 1.125 158 Y CB -0.299 37.963 38.460 -0.330 0.000 0.969 158 Y HN -0.474 7.694 8.280 -0.009 0.107 0.492 159 L N -3.397 117.514 121.223 -0.520 0.000 2.141 159 L HA -0.320 3.503 4.340 -0.863 0.000 0.209 159 L C 2.851 179.625 176.870 -0.161 0.000 1.094 159 L CA 2.866 57.388 54.840 -0.531 0.000 0.763 159 L CB -0.972 40.873 42.059 -0.357 0.000 0.908 159 L HN -0.471 7.570 8.230 -0.315 0.000 0.437 160 F N -2.023 117.829 119.950 -0.163 0.000 2.546 160 F HA -0.230 4.258 4.527 -0.065 0.000 0.298 160 F C 0.457 176.210 175.800 -0.077 0.000 1.120 160 F CA 1.195 59.147 58.000 -0.080 0.000 1.456 160 F CB -0.039 38.941 39.000 -0.033 0.000 1.088 160 F HN -0.510 7.764 8.300 0.115 0.095 0.572 161 K N -0.684 119.611 120.400 -0.175 0.000 2.029 161 K HA -0.156 3.978 4.320 -0.311 0.000 0.205 161 K C 1.209 177.687 176.600 -0.204 0.000 1.042 161 K CA 2.300 58.461 56.287 -0.211 0.000 0.949 161 K CB 0.792 33.251 32.500 -0.069 0.000 0.740 161 K HN -0.500 7.496 8.250 -0.103 0.192 0.442 162 L N -6.758 114.355 121.223 -0.183 0.000 2.728 162 L HA 0.340 4.609 4.340 -0.118 0.000 0.235 162 L C -0.319 176.461 176.870 -0.149 0.000 1.197 162 L CA 0.284 55.036 54.840 -0.146 0.000 0.992 162 L CB 0.302 42.292 42.059 -0.115 0.000 1.263 162 L HN -0.571 7.525 8.230 -0.223 0.000 0.484 163 G N -1.093 107.609 108.800 -0.162 0.000 2.694 163 G HA2 0.130 4.036 3.960 -0.089 0.000 0.246 163 G HA3 0.130 4.062 3.960 -0.097 -0.030 0.246 163 G C -2.256 172.605 174.900 -0.065 0.000 1.205 163 G CA 0.198 45.236 45.100 -0.104 0.000 0.891 163 G HN -0.797 7.273 8.290 -0.202 0.099 0.515 164 L N -0.549 120.696 121.223 0.037 0.000 3.431 164 L HA 0.223 4.707 4.340 0.240 0.000 0.316 164 L C -0.444 176.571 176.870 0.242 0.000 1.305 164 L CA -0.905 54.036 54.840 0.168 0.000 0.995 164 L CB 0.786 42.901 42.059 0.093 0.000 1.411 164 L HN 0.027 8.267 8.230 0.017 0.000 0.610 165 A N 0.818 123.775 122.820 0.229 0.000 2.429 165 A HA 0.039 4.427 4.320 0.114 0.000 0.242 165 A C -1.596 176.095 177.584 0.179 0.000 1.088 165 A CA -1.100 51.047 52.037 0.185 0.000 0.784 165 A CB -0.798 18.308 19.000 0.177 0.000 1.038 165 A HN -0.514 7.747 8.150 0.186 0.000 0.501 166 P HA -0.025 4.390 4.420 -0.009 0.000 0.272 166 P C -1.834 175.555 177.300 0.149 0.000 1.230 166 P CA -0.455 62.718 63.100 0.123 0.000 0.788 166 P CB 1.023 32.817 31.700 0.156 0.000 0.949 167 Q N -0.019 119.760 119.800 -0.034 0.000 2.316 167 Q HA 0.143 4.395 4.340 -0.147 0.000 0.264 167 Q C -0.352 175.651 176.000 0.006 0.000 0.987 167 Q CA -2.022 53.705 55.803 -0.128 0.000 0.852 167 Q CB 1.754 30.289 28.738 -0.338 0.000 1.287 167 Q HN 0.121 8.352 8.270 -0.066 0.000 0.448 168 I N 6.183 126.677 120.570 -0.128 0.000 2.710 168 I HA -0.132 4.090 4.170 0.086 0.000 0.286 168 I C -0.875 175.250 176.117 0.013 0.000 1.181 168 I CA 0.705 61.948 61.300 -0.095 0.000 1.430 168 I CB 0.796 38.604 38.000 -0.319 0.000 1.367 168 I HN 0.326 8.374 8.210 -0.270 0.000 0.577 169 Q N 6.724 126.568 119.800 0.074 0.000 2.221 169 Q HA 0.175 4.547 4.340 0.054 0.000 0.242 169 Q C -1.415 174.640 176.000 0.092 0.000 0.940 169 Q CA -0.575 55.271 55.803 0.071 0.000 0.896 169 Q CB 1.208 29.988 28.738 0.070 0.000 1.226 169 Q HN 0.008 8.348 8.270 0.115 0.000 0.463 170 D N -0.570 119.885 120.400 0.091 0.000 2.381 170 D HA 0.109 4.835 4.640 0.143 0.000 0.235 170 D C -0.513 175.839 176.300 0.087 0.000 1.068 170 D CA -0.319 53.755 54.000 0.123 0.000 0.832 170 D CB -0.052 40.836 40.800 0.147 0.000 1.101 170 D HN 0.067 8.481 8.370 0.074 0.000 0.515 171 L N -2.186 119.084 121.223 0.080 0.000 3.447 171 L HA 0.186 4.483 4.340 -0.072 0.000 0.353 171 L C -1.332 175.498 176.870 -0.067 0.000 1.338 171 L CA -0.584 54.245 54.840 -0.018 0.000 0.899 171 L CB -0.849 41.209 42.059 -0.002 0.000 1.332 171 L HN 0.013 8.314 8.230 0.118 0.000 0.608 172 Y N -1.429 118.784 120.300 -0.145 0.000 2.620 172 Y HA -0.048 4.464 4.550 -0.198 -0.081 0.330 172 Y C 0.571 176.365 175.900 -0.177 0.000 1.186 172 Y CA 0.061 58.025 58.100 -0.226 0.000 1.467 172 Y CB -0.581 37.636 38.460 -0.404 0.000 1.262 172 Y HN -0.468 7.977 8.280 0.274 0.000 0.550 173 G N 4.485 113.159 108.800 -0.209 0.000 2.198 173 G HA2 -0.294 3.692 3.960 0.043 0.000 0.156 173 G HA3 -0.294 3.566 3.960 -0.167 0.000 0.156 173 G C 0.256 175.191 174.900 0.057 0.000 1.012 173 G CA -0.195 44.859 45.100 -0.077 0.000 0.692 173 G HN 0.396 8.596 8.290 -0.150 0.000 0.492 174 K N 0.120 120.527 120.400 0.012 0.000 2.334 174 K HA 0.126 4.463 4.320 0.028 0.000 0.195 174 K C -0.202 176.427 176.600 0.050 0.000 1.045 174 K CA 0.086 56.389 56.287 0.026 0.000 1.004 174 K CB 0.727 33.225 32.500 -0.003 0.000 0.837 174 K HN -0.017 8.216 8.250 -0.028 0.000 0.510 175 V N -1.877 118.080 119.914 0.071 0.000 2.350 175 V HA 0.222 4.327 4.120 -0.025 0.000 0.285 175 V C -0.933 175.236 176.094 0.125 0.000 1.014 175 V CA -1.548 60.758 62.300 0.010 0.000 0.831 175 V CB 1.119 32.893 31.823 -0.082 0.000 1.000 175 V HN -0.446 7.784 8.190 0.067 0.000 0.433 176 D N 5.979 126.422 120.400 0.072 0.000 2.346 176 D HA 0.002 4.878 4.640 0.394 0.000 0.249 176 D C -0.778 175.483 176.300 -0.066 0.000 1.308 176 D CA 0.850 54.932 54.000 0.137 0.000 0.987 176 D CB 0.995 41.786 40.800 -0.015 0.000 1.114 176 D HN 0.221 8.589 8.370 -0.004 0.000 0.529 177 F N -2.997 117.033 119.950 0.133 0.000 2.923 177 F HA 0.129 4.717 4.527 0.102 0.000 0.323 177 F C -1.152 174.673 175.800 0.041 0.000 1.189 177 F CA -1.043 57.026 58.000 0.115 0.000 0.930 177 F CB 3.530 42.646 39.000 0.194 0.000 1.414 177 F HN -0.149 8.241 8.300 0.151 0.000 0.496 178 T N -1.995 112.744 114.554 0.308 0.000 2.766 178 T HA 0.116 4.525 4.350 0.099 0.000 0.295 178 T C 0.848 175.612 174.700 0.107 0.000 1.024 178 T CA -0.877 61.313 62.100 0.150 0.000 1.018 178 T CB 1.316 70.260 68.868 0.126 0.000 1.002 178 T HN -0.170 8.344 8.240 0.457 0.000 0.532 179 E N -0.037 120.197 120.200 0.056 0.000 2.276 179 E HA -0.173 4.194 4.350 0.030 0.000 0.193 179 E C 2.175 178.790 176.600 0.025 0.000 0.983 179 E CA 2.507 58.925 56.400 0.031 0.000 0.861 179 E CB -0.284 29.424 29.700 0.013 0.000 0.817 179 E HN 0.457 8.845 8.360 0.048 0.000 0.485 180 E N 0.313 120.529 120.200 0.028 0.000 2.158 180 E HA -0.203 4.152 4.350 0.008 0.000 0.191 180 E C 2.115 178.722 176.600 0.011 0.000 0.982 180 E CA 2.386 58.795 56.400 0.016 0.000 0.823 180 E CB -0.333 29.376 29.700 0.015 0.000 0.766 180 E HN 0.182 8.563 8.360 0.036 0.000 0.468 181 E N 0.110 120.325 120.200 0.025 0.000 2.021 181 E HA -0.240 4.100 4.350 -0.016 0.000 0.189 181 E C 1.935 178.522 176.600 -0.022 0.000 0.980 181 E CA 2.459 58.859 56.400 -0.001 0.000 0.803 181 E CB -0.247 29.463 29.700 0.017 0.000 0.766 181 E HN -0.432 7.957 8.360 0.048 0.000 0.449 182 I N -0.864 119.713 120.570 0.011 0.000 2.151 182 I HA -0.577 3.592 4.170 -0.002 0.000 0.243 182 I C 1.742 177.865 176.117 0.010 0.000 1.080 182 I CA 4.169 65.482 61.300 0.022 0.000 1.339 182 I CB -0.435 37.610 38.000 0.075 0.000 1.039 182 I HN -0.761 7.479 8.210 0.049 0.000 0.409 183 N N -1.355 117.349 118.700 0.008 0.000 2.244 183 N HA -0.355 4.388 4.740 0.005 0.000 0.183 183 N C 1.575 177.076 175.510 -0.014 0.000 1.016 183 N CA 3.226 56.276 53.050 -0.000 0.000 0.866 183 N CB 0.178 38.664 38.487 -0.001 0.000 0.980 183 N HN -0.405 7.983 8.380 0.014 0.000 0.430 184 N N 0.155 118.841 118.700 -0.022 0.000 2.354 184 N HA -0.177 4.543 4.740 -0.032 0.000 0.179 184 N C 2.168 177.647 175.510 -0.053 0.000 1.021 184 N CA 2.370 55.400 53.050 -0.034 0.000 0.887 184 N CB -0.042 38.426 38.487 -0.031 0.000 0.974 184 N HN -0.602 7.648 8.380 -0.017 0.120 0.437 185 M N 0.714 120.274 119.600 -0.066 0.000 2.066 185 M HA -0.293 4.334 4.480 -0.159 -0.242 0.259 185 M C 2.134 178.395 176.300 -0.064 0.000 1.074 185 M CA 3.170 58.404 55.300 -0.109 0.000 1.114 185 M CB -0.158 32.370 32.600 -0.120 0.000 1.306 185 M HN 0.198 8.319 8.290 -0.053 0.138 0.411 186 K N -4.328 116.060 120.400 -0.019 0.000 2.281 186 K HA -0.339 3.997 4.320 0.026 0.000 0.203 186 K C 1.272 177.862 176.600 -0.016 0.000 1.046 186 K CA 2.424 58.714 56.287 0.005 0.000 0.938 186 K CB -0.622 31.889 32.500 0.018 0.000 0.737 186 K HN -0.478 7.766 8.250 -0.011 0.000 0.458 187 T N 0.673 115.206 114.554 -0.035 0.000 2.732 187 T HA -0.084 4.231 4.350 -0.058 0.000 0.261 187 T C 1.736 176.384 174.700 -0.086 0.000 1.040 187 T CA 2.869 64.934 62.100 -0.059 0.000 1.145 187 T CB 0.523 69.355 68.868 -0.059 0.000 0.866 187 T HN -0.759 7.315 8.240 -0.035 0.146 0.427 188 E N 2.503 122.668 120.200 -0.057 0.000 2.209 188 E HA -0.294 4.003 4.350 -0.088 0.000 0.196 188 E C 1.191 177.823 176.600 0.053 0.000 0.993 188 E CA 2.962 59.361 56.400 -0.002 0.000 0.819 188 E CB -0.442 29.294 29.700 0.060 0.000 0.745 188 E HN 0.032 8.362 8.360 -0.050 0.000 0.477 189 L N -7.583 113.651 121.223 0.020 0.000 2.791 189 L HA 0.372 4.776 4.340 0.107 0.000 0.239 189 L C 0.168 177.051 176.870 0.022 0.000 1.203 189 L CA -0.309 54.566 54.840 0.058 0.000 1.002 189 L CB -0.891 41.217 42.059 0.081 0.000 1.295 189 L HN -0.638 7.458 8.230 -0.010 0.128 0.504 190 E N -0.204 119.976 120.200 -0.032 0.000 2.399 190 E HA 0.054 4.395 4.350 -0.016 0.000 0.205 190 E C 0.618 177.175 176.600 -0.072 0.000 0.906 190 E CA 1.390 57.764 56.400 -0.043 0.000 0.998 190 E CB 0.778 30.447 29.700 -0.051 0.000 1.002 190 E HN -0.049 8.079 8.360 -0.068 0.191 0.501 191 K N -1.701 118.610 120.400 -0.149 0.000 2.344 191 K HA 0.063 4.317 4.320 -0.110 0.000 0.200 191 K C 2.178 178.713 176.600 -0.109 0.000 1.132 191 K CA 0.625 56.800 56.287 -0.187 0.000 0.935 191 K CB 1.050 33.345 32.500 -0.341 0.000 1.089 191 K HN -0.546 7.587 8.250 -0.195 0.000 0.496 192 Y N -0.850 119.446 120.300 -0.006 0.000 2.497 192 Y HA -0.196 4.352 4.550 -0.003 0.000 0.292 192 Y C 0.539 176.440 175.900 0.001 0.000 1.137 192 Y CA 0.176 58.274 58.100 -0.003 0.000 1.285 192 Y CB 0.230 38.687 38.460 -0.005 0.000 0.991 192 Y HN -0.778 7.332 8.280 -0.284 0.000 0.556 193 G N -0.852 108.025 108.800 0.128 0.000 2.298 193 G HA2 -0.346 3.644 3.960 0.051 0.000 0.287 193 G HA3 -0.346 3.653 3.960 0.065 0.000 0.287 193 G C -0.341 174.608 174.900 0.081 0.000 1.075 193 G CA 0.032 45.179 45.100 0.078 0.000 0.960 193 G HN -0.077 8.217 8.290 0.085 0.047 0.502 194 I N -0.857 119.776 120.570 0.104 0.000 2.664 194 I HA -0.296 3.928 4.170 0.091 0.000 0.284 194 I C 0.080 176.231 176.117 0.057 0.000 1.154 194 I CA -0.259 61.101 61.300 0.100 0.000 1.402 194 I CB -1.298 36.791 38.000 0.147 0.000 1.395 194 I HN -0.151 8.130 8.210 0.119 0.000 0.545 195 Q N 6.941 126.748 119.800 0.013 0.000 2.244 195 Q HA -0.169 4.143 4.340 -0.047 0.000 0.276 195 Q C -0.613 175.323 176.000 -0.107 0.000 1.122 195 Q CA -0.031 55.739 55.803 -0.056 0.000 0.920 195 Q CB -0.190 28.493 28.738 -0.092 0.000 1.186 195 Q HN 0.119 8.402 8.270 0.021 0.000 0.393 196 M N 6.889 126.429 119.600 -0.100 0.000 2.385 196 M HA 0.336 4.717 4.480 -0.166 0.000 0.346 196 M C -2.191 173.984 176.300 -0.208 0.000 1.180 196 M CA -2.904 52.322 55.300 -0.124 0.000 1.154 196 M CB 1.051 33.644 32.600 -0.011 0.000 1.251 196 M HN 0.020 8.268 8.290 -0.069 0.000 0.430 197 P HA 0.102 4.341 4.420 -0.302 0.000 0.274 197 P C -1.420 175.693 177.300 -0.311 0.000 1.260 197 P CA -0.912 61.909 63.100 -0.466 0.000 0.793 197 P CB 0.855 32.002 31.700 -0.921 0.000 1.048 198 A N -1.397 121.320 122.820 -0.172 0.000 2.316 198 A HA 0.142 4.501 4.320 0.066 0.000 0.311 198 A C 0.636 178.243 177.584 0.038 0.000 1.339 198 A CA -0.605 51.427 52.037 -0.009 0.000 0.960 198 A CB 0.440 19.450 19.000 0.018 0.000 1.152 198 A HN 0.141 8.190 8.150 -0.168 0.000 0.547 199 F N 4.020 123.976 119.950 0.009 0.000 2.307 199 F HA -0.428 4.182 4.527 0.140 0.000 0.301 199 F C 1.774 177.614 175.800 0.066 0.000 1.076 199 F CA 2.767 60.794 58.000 0.045 0.000 1.383 199 F CB 0.083 39.047 39.000 -0.059 0.000 1.055 199 F HN 0.670 9.272 8.300 0.503 0.000 0.526 200 S N -2.522 113.309 115.700 0.219 0.000 2.406 200 S HA -0.147 4.418 4.470 0.158 0.000 0.228 200 S C 0.055 174.724 174.600 0.114 0.000 1.020 200 S CA 1.804 60.094 58.200 0.150 0.000 0.965 200 S CB -0.246 63.025 63.200 0.118 0.000 0.798 200 S HN -0.096 8.296 8.310 0.215 0.048 0.488 201 K N 0.168 120.627 120.400 0.100 0.000 2.602 201 K HA 0.261 4.631 4.320 0.083 0.000 0.201 201 K C -0.787 175.874 176.600 0.102 0.000 1.070 201 K CA -0.395 55.942 56.287 0.083 0.000 1.026 201 K CB -1.054 31.479 32.500 0.055 0.000 1.534 201 K HN -0.480 7.702 8.250 0.099 0.127 0.560 202 I N -0.277 120.369 120.570 0.126 0.000 2.899 202 I HA 0.040 4.351 4.170 0.234 0.000 0.257 202 I C 1.562 177.810 176.117 0.218 0.000 1.115 202 I CA 0.217 61.626 61.300 0.182 0.000 1.451 202 I CB 1.342 39.405 38.000 0.105 0.000 1.251 202 I HN -0.457 7.821 8.210 0.114 0.000 0.456 203 G N -0.077 108.805 108.800 0.136 0.000 3.401 203 G HA2 -0.037 4.024 3.960 0.168 0.000 0.251 203 G HA3 -0.037 3.973 3.960 0.083 0.000 0.251 203 G C -0.361 174.603 174.900 0.107 0.000 0.960 203 G CA -0.080 45.094 45.100 0.123 0.000 1.900 203 G HN 0.060 8.412 8.290 0.104 0.000 0.645 204 G N 0.425 109.292 108.800 0.112 0.000 2.848 204 G HA2 0.205 4.201 3.960 0.061 0.000 0.213 204 G HA3 0.205 4.199 3.960 0.058 0.000 0.213 204 G C 0.024 174.957 174.900 0.056 0.000 1.101 204 G CA -0.346 44.796 45.100 0.070 0.000 0.778 204 G HN -0.192 8.101 8.290 0.144 0.084 0.536 205 I N 1.920 122.533 120.570 0.073 0.000 2.364 205 I HA -0.203 3.974 4.170 0.012 0.000 0.241 205 I C 0.955 177.108 176.117 0.060 0.000 1.082 205 I CA 2.371 63.694 61.300 0.038 0.000 1.401 205 I CB 0.268 38.259 38.000 -0.015 0.000 1.126 205 I HN -0.887 7.394 8.210 0.118 0.000 0.429 206 L N -2.333 118.965 121.223 0.125 0.000 2.191 206 L HA -0.267 4.118 4.340 0.075 0.000 0.212 206 L C 1.558 178.463 176.870 0.057 0.000 1.103 206 L CA 3.106 58.005 54.840 0.100 0.000 0.769 206 L CB -1.467 40.670 42.059 0.130 0.000 0.908 206 L HN 0.165 8.520 8.230 0.208 0.000 0.438 207 A N -3.947 118.907 122.820 0.057 0.000 1.930 207 A HA -0.292 4.045 4.320 0.028 0.000 0.217 207 A C 0.896 178.494 177.584 0.023 0.000 1.175 207 A CA 2.303 54.361 52.037 0.036 0.000 0.627 207 A CB -0.784 18.240 19.000 0.039 0.000 0.815 207 A HN -0.084 8.084 8.150 0.075 0.027 0.443 208 N N -2.608 116.105 118.700 0.023 0.000 2.173 208 N HA -0.143 4.603 4.740 0.010 0.000 0.184 208 N C 0.598 176.111 175.510 0.006 0.000 1.025 208 N CA 1.977 55.034 53.050 0.012 0.000 0.852 208 N CB 0.803 39.294 38.487 0.008 0.000 0.998 208 N HN -0.619 7.680 8.380 0.030 0.100 0.427 209 E N 0.557 120.761 120.200 0.007 0.000 2.136 209 E HA 0.202 4.550 4.350 -0.003 0.000 0.246 209 E C -0.895 175.708 176.600 0.005 0.000 1.017 209 E CA -1.417 54.983 56.400 -0.000 0.000 0.883 209 E CB -1.025 28.669 29.700 -0.010 0.000 1.199 209 E HN -0.254 8.114 8.360 0.013 0.000 0.447 210 L N 0.000 121.226 121.223 0.005 0.000 2.949 210 L HA 0.000 4.348 4.340 0.013 0.000 0.249 210 L CA 0.000 54.844 54.840 0.007 0.000 0.813 210 L CB 0.000 42.062 42.059 0.005 0.000 0.961 210 L HN 0.000 8.232 8.230 0.003 0.000 0.502