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 2dzc_1_A DATA FIRST_RESID 1 DATA SEQUENCE MLGLKTSIIG RRVIYFQEIT STNEFAKTSY LEEGTVIVAD KQTMGXXXXX DATA SEQUENCE XXXXSPEGGL WLSIVLSPKV PQKDLPKIVF LGAVGVVETL KEFSIDGRIK DATA SEQUENCE WPNDVLVNYK KIAGVLVEGX XDKIVLGIGL NVNNKVPNGA TSMKLELGSE DATA SEQUENCE VPLLSVFRSL ITNLDRLYLN FLKNPMDILN LVRDNMILGV RVKILXXGSF DATA SEQUENCE EGIAEDIDDF GRLIIRLDSG EVKKVIYGDV SLRFL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 1 M C 0.000 176.297 176.300 -0.005 0.000 1.140 1 M CA 0.000 55.294 55.300 -0.009 0.000 0.988 1 M CB 0.000 32.585 32.600 -0.025 0.000 1.302 2 L N 2.114 123.340 121.223 0.005 0.000 2.240 2 L HA 0.286 4.633 4.340 0.012 0.000 0.211 2 L C 1.501 178.395 176.870 0.041 0.000 1.106 2 L CA 1.330 56.184 54.840 0.024 0.000 0.793 2 L CB -0.625 41.463 42.059 0.049 0.000 0.927 2 L HN 0.774 9.004 8.230 -0.000 0.000 0.446 3 G N 1.346 110.167 108.800 0.035 0.000 2.273 3 G HA2 -0.280 3.687 3.960 0.012 0.000 0.280 3 G HA3 -0.280 3.687 3.960 0.012 0.000 0.280 3 G C 0.168 175.095 174.900 0.044 0.000 1.047 3 G CA -0.098 45.023 45.100 0.034 0.000 0.869 3 G HN 0.234 8.524 8.290 -0.000 0.000 0.502 4 L N -0.651 120.607 121.223 0.058 0.000 2.426 4 L HA 0.313 4.660 4.340 0.012 0.000 0.271 4 L C 1.202 178.098 176.870 0.043 0.000 1.169 4 L CA -0.166 54.710 54.840 0.060 0.000 0.836 4 L CB 0.693 42.801 42.059 0.082 0.000 1.112 4 L HN -0.034 8.196 8.230 -0.000 0.000 0.465 5 K N 1.025 121.445 120.400 0.033 0.000 2.478 5 K HA 0.148 4.474 4.320 0.012 0.000 0.205 5 K C 0.400 177.017 176.600 0.028 0.000 1.033 5 K CA -0.061 56.243 56.287 0.028 0.000 1.091 5 K CB 0.392 32.905 32.500 0.022 0.000 0.844 5 K HN 0.744 8.994 8.250 -0.000 0.000 0.507 6 T N -1.749 112.822 114.554 0.029 0.000 2.856 6 T HA 0.138 4.495 4.350 0.012 0.000 0.306 6 T C 1.416 176.142 174.700 0.043 0.000 1.062 6 T CA -0.165 61.954 62.100 0.032 0.000 1.083 6 T CB 1.276 70.159 68.868 0.024 0.000 0.984 6 T HN -0.105 8.135 8.240 -0.000 0.000 0.542 7 S N 0.524 116.256 115.700 0.053 0.000 2.362 7 S HA 0.145 4.622 4.470 0.012 0.000 0.221 7 S C 1.597 176.244 174.600 0.077 0.000 1.032 7 S CA 0.518 58.754 58.200 0.061 0.000 0.973 7 S CB -0.332 62.906 63.200 0.063 0.000 0.849 7 S HN 0.717 9.027 8.310 -0.000 0.000 0.465 8 I N -0.380 120.250 120.570 0.101 0.000 3.746 8 I HA 0.264 4.441 4.170 0.012 0.000 0.262 8 I C -0.300 175.862 176.117 0.076 0.000 1.153 8 I CA 0.008 61.377 61.300 0.114 0.000 1.395 8 I CB 0.276 38.400 38.000 0.206 0.000 1.589 8 I HN 0.023 8.233 8.210 -0.000 0.000 0.441 9 I N 2.789 123.394 120.570 0.059 0.000 2.505 9 I HA 0.149 4.325 4.170 0.012 0.000 0.287 9 I C 1.015 177.138 176.117 0.011 0.000 1.104 9 I CA 0.774 62.074 61.300 -0.002 0.000 1.387 9 I CB 0.187 38.158 38.000 -0.048 0.000 1.404 9 I HN 0.574 8.784 8.210 -0.000 0.000 0.528 10 G N 5.168 113.989 108.800 0.035 0.000 2.163 10 G HA2 -0.225 3.742 3.960 0.012 0.000 0.213 10 G HA3 -0.225 3.742 3.960 0.012 0.000 0.213 10 G C 1.107 176.054 174.900 0.079 0.000 0.991 10 G CA -0.242 44.899 45.100 0.068 0.000 0.653 10 G HN 0.629 8.919 8.290 -0.000 0.000 0.518 11 R N -0.326 120.216 120.500 0.069 0.000 2.105 11 R HA -0.000 4.347 4.340 0.012 0.000 0.239 11 R C 1.203 177.547 176.300 0.074 0.000 1.135 11 R CA 1.331 57.472 56.100 0.067 0.000 0.967 11 R CB -0.020 30.319 30.300 0.064 0.000 0.861 11 R HN 0.410 8.680 8.270 -0.000 0.000 0.442 12 R N -0.302 120.250 120.500 0.086 0.000 2.744 12 R HA 0.475 4.822 4.340 0.012 0.000 0.279 12 R C -1.423 174.951 176.300 0.124 0.000 0.977 12 R CA -0.697 55.460 56.100 0.095 0.000 0.906 12 R CB 2.907 33.262 30.300 0.092 0.000 1.197 12 R HN -0.162 8.108 8.270 -0.000 0.000 0.463 13 V N 3.792 123.781 119.914 0.125 0.000 2.623 13 V HA 0.456 4.583 4.120 0.012 0.000 0.304 13 V C -0.496 175.668 176.094 0.117 0.000 1.054 13 V CA -0.657 61.736 62.300 0.156 0.000 0.882 13 V CB 2.108 34.040 31.823 0.181 0.000 1.002 13 V HN 0.611 8.801 8.190 -0.000 0.000 0.424 14 I N 5.264 125.919 120.570 0.143 0.000 2.354 14 I HA 0.397 4.574 4.170 0.012 0.000 0.286 14 I C -0.939 175.232 176.117 0.090 0.000 1.007 14 I CA -0.655 60.686 61.300 0.067 0.000 1.167 14 I CB 1.188 39.257 38.000 0.115 0.000 1.320 14 I HN 0.690 8.900 8.210 -0.000 0.000 0.458 15 Y N 7.784 127.987 120.300 -0.163 0.000 2.361 15 Y HA 0.625 5.181 4.550 0.010 0.000 0.332 15 Y C -1.580 174.139 175.900 -0.301 0.000 1.101 15 Y CA -0.751 57.283 58.100 -0.111 0.000 1.137 15 Y CB 1.033 39.408 38.460 -0.141 0.000 1.207 15 Y HN 0.302 8.582 8.280 -0.000 0.000 0.463 16 F N 4.310 123.624 119.950 -1.060 0.000 2.529 16 F HA 0.351 4.884 4.527 0.011 0.000 0.320 16 F C 0.978 176.143 175.800 -1.059 0.000 1.118 16 F CA -0.724 56.745 58.000 -0.885 0.000 0.915 16 F CB 2.285 40.991 39.000 -0.490 0.000 1.161 16 F HN 0.606 8.906 8.300 -0.000 0.000 0.445 17 Q N 0.848 120.310 119.800 -0.563 0.000 2.124 17 Q HA -0.113 4.234 4.340 0.012 0.000 0.202 17 Q C 0.183 176.132 176.000 -0.086 0.000 0.977 17 Q CA 1.421 57.093 55.803 -0.219 0.000 0.850 17 Q CB 0.402 29.105 28.738 -0.058 0.000 0.901 17 Q HN 0.687 8.957 8.270 -0.000 0.000 0.429 18 E N -0.600 119.564 120.200 -0.060 0.000 2.372 18 E HA 0.573 4.930 4.350 0.012 0.000 0.279 18 E C -1.869 174.692 176.600 -0.066 0.000 0.946 18 E CA -0.396 55.975 56.400 -0.048 0.000 0.769 18 E CB 1.834 31.512 29.700 -0.036 0.000 1.230 18 E HN 0.072 8.432 8.360 -0.000 0.000 0.442 19 I N 1.752 122.228 120.570 -0.156 0.000 3.004 19 I HA 0.218 4.395 4.170 0.012 0.000 0.305 19 I C 1.080 177.074 176.117 -0.204 0.000 1.312 19 I CA -0.296 60.843 61.300 -0.268 0.000 0.992 19 I CB 2.254 39.882 38.000 -0.620 0.000 1.282 19 I HN 0.850 9.060 8.210 -0.000 0.000 0.449 20 T N 0.777 115.227 114.554 -0.173 0.000 2.701 20 T HA 0.014 4.371 4.350 0.012 0.000 0.263 20 T C 0.660 175.269 174.700 -0.152 0.000 1.040 20 T CA 0.994 63.015 62.100 -0.132 0.000 1.147 20 T CB -0.162 68.653 68.868 -0.088 0.000 0.865 20 T HN 0.522 8.762 8.240 -0.000 0.000 0.426 21 S N 0.172 115.778 115.700 -0.156 0.000 2.592 21 S HA 0.422 4.899 4.470 0.012 0.000 0.275 21 S C 0.830 175.353 174.600 -0.129 0.000 1.169 21 S CA 0.017 58.136 58.200 -0.135 0.000 0.958 21 S CB 1.452 64.597 63.200 -0.092 0.000 1.095 21 S HN 0.510 8.820 8.310 -0.000 0.000 0.471 22 T N 2.921 117.402 114.554 -0.121 0.000 2.821 22 T HA -0.076 4.281 4.350 0.012 0.000 0.267 22 T C 1.451 176.154 174.700 0.004 0.000 1.046 22 T CA 1.555 63.600 62.100 -0.091 0.000 1.139 22 T CB -0.604 68.248 68.868 -0.028 0.000 0.871 22 T HN 0.525 8.765 8.240 -0.000 0.000 0.454 23 N N 1.280 119.977 118.700 -0.006 0.000 2.142 23 N HA -0.047 4.700 4.740 0.012 0.000 0.186 23 N C 2.048 177.554 175.510 -0.007 0.000 1.023 23 N CA 1.144 54.194 53.050 -0.001 0.000 0.852 23 N CB -0.263 38.215 38.487 -0.014 0.000 0.998 23 N HN 0.414 8.794 8.380 -0.000 0.000 0.424 24 E N -0.206 119.984 120.200 -0.018 0.000 2.106 24 E HA -0.131 4.226 4.350 0.012 0.000 0.192 24 E C 1.767 178.353 176.600 -0.023 0.000 0.984 24 E CA 0.474 56.855 56.400 -0.031 0.000 0.806 24 E CB -0.485 29.192 29.700 -0.038 0.000 0.750 24 E HN 0.400 8.760 8.360 -0.000 0.000 0.458 25 F N 1.481 121.350 119.950 -0.134 0.000 2.134 25 F HA -0.151 4.383 4.527 0.012 0.000 0.299 25 F C 2.231 177.983 175.800 -0.080 0.000 1.097 25 F CA 1.513 59.436 58.000 -0.129 0.000 1.264 25 F CB -0.164 38.700 39.000 -0.226 0.000 1.001 25 F HN -0.005 8.295 8.300 -0.000 0.000 0.479 26 A N 0.099 122.980 122.820 0.102 0.000 1.930 26 A HA -0.177 4.150 4.320 0.012 0.000 0.217 26 A C 2.191 179.729 177.584 -0.077 0.000 1.175 26 A CA 1.772 53.833 52.037 0.040 0.000 0.627 26 A CB -0.591 18.457 19.000 0.080 0.000 0.815 26 A HN 0.453 8.603 8.150 -0.000 0.000 0.443 27 K N -0.933 119.416 120.400 -0.085 0.000 2.057 27 K HA -0.061 4.266 4.320 0.012 0.000 0.206 27 K C 2.055 178.550 176.600 -0.175 0.000 1.050 27 K CA 1.760 57.985 56.287 -0.103 0.000 0.935 27 K CB -0.300 32.152 32.500 -0.080 0.000 0.715 27 K HN 0.444 8.694 8.250 -0.000 0.000 0.439 28 T N 0.806 115.220 114.554 -0.233 0.000 2.851 28 T HA -0.003 4.354 4.350 0.012 0.000 0.262 28 T C 0.970 175.398 174.700 -0.454 0.000 1.043 28 T CA 0.549 62.464 62.100 -0.308 0.000 1.140 28 T CB 0.050 68.751 68.868 -0.278 0.000 0.872 28 T HN 0.064 8.304 8.240 -0.000 0.000 0.446 29 S N 0.651 116.029 115.700 -0.537 0.000 2.603 29 S HA 0.301 4.778 4.470 0.012 0.000 0.268 29 S C -0.753 173.622 174.600 -0.375 0.000 1.317 29 S CA -0.553 57.319 58.200 -0.547 0.000 1.012 29 S CB 0.143 62.878 63.200 -0.776 0.000 0.926 29 S HN 0.269 8.579 8.310 -0.000 0.000 0.539 30 Y N 1.905 122.137 120.300 -0.113 0.000 2.556 30 Y HA 0.433 4.990 4.550 0.012 0.000 0.352 30 Y C 0.087 175.977 175.900 -0.018 0.000 1.006 30 Y CA -0.292 57.778 58.100 -0.050 0.000 1.277 30 Y CB -0.385 38.057 38.460 -0.030 0.000 1.136 30 Y HN 0.314 8.594 8.280 -0.000 0.000 0.523 31 L N 2.811 124.109 121.223 0.125 0.000 2.354 31 L HA 0.518 4.865 4.340 0.012 0.000 0.264 31 L C -0.203 176.726 176.870 0.099 0.000 1.008 31 L CA -1.339 53.567 54.840 0.110 0.000 0.819 31 L CB 1.912 44.030 42.059 0.097 0.000 1.339 31 L HN 0.291 8.521 8.230 -0.000 0.000 0.420 32 E N 1.173 121.429 120.200 0.092 0.000 2.349 32 E HA 0.116 4.473 4.350 0.012 0.000 0.265 32 E C -0.495 176.148 176.600 0.071 0.000 1.064 32 E CA -0.356 56.091 56.400 0.078 0.000 0.886 32 E CB 1.099 30.843 29.700 0.073 0.000 1.036 32 E HN 0.452 8.812 8.360 -0.000 0.000 0.413 33 E N -0.151 120.090 120.200 0.067 0.000 2.452 33 E HA 0.114 4.471 4.350 0.012 0.000 0.261 33 E C 0.648 177.279 176.600 0.052 0.000 0.987 33 E CA 0.880 57.316 56.400 0.059 0.000 0.926 33 E CB 0.115 29.868 29.700 0.087 0.000 0.934 33 E HN 0.676 9.036 8.360 -0.000 0.000 0.452 34 G N 3.211 112.018 108.800 0.013 0.000 2.217 34 G HA2 -0.251 3.716 3.960 0.012 0.000 0.246 34 G HA3 -0.251 3.716 3.960 0.012 0.000 0.246 34 G C 0.354 175.275 174.900 0.034 0.000 0.990 34 G CA 0.248 45.353 45.100 0.008 0.000 0.627 34 G HN 0.618 8.908 8.290 -0.000 0.000 0.522 35 T N 1.401 115.990 114.554 0.058 0.000 2.870 35 T HA 0.457 4.813 4.350 0.012 0.000 0.300 35 T C 0.436 175.198 174.700 0.104 0.000 0.989 35 T CA 0.219 62.376 62.100 0.095 0.000 1.139 35 T CB 1.998 70.936 68.868 0.118 0.000 0.920 35 T HN 0.475 8.715 8.240 -0.000 0.000 0.537 36 V N 5.559 125.556 119.914 0.139 0.000 2.398 36 V HA 0.380 4.507 4.120 0.012 0.000 0.286 36 V C -0.030 176.191 176.094 0.213 0.000 1.026 36 V CA -0.910 61.491 62.300 0.169 0.000 0.868 36 V CB 1.353 33.309 31.823 0.223 0.000 0.982 36 V HN 0.690 8.880 8.190 -0.000 0.000 0.443 37 I N 5.599 126.291 120.570 0.203 0.000 2.339 37 I HA 0.514 4.691 4.170 0.012 0.000 0.290 37 I C -0.170 176.059 176.117 0.187 0.000 0.994 37 I CA -0.321 61.106 61.300 0.213 0.000 1.191 37 I CB 1.404 39.512 38.000 0.179 0.000 1.343 37 I HN 0.374 8.584 8.210 -0.000 0.000 0.458 38 V N 6.050 126.098 119.914 0.223 0.000 2.841 38 V HA 0.925 5.052 4.120 0.012 0.000 0.310 38 V C -0.848 175.365 176.094 0.197 0.000 1.090 38 V CA -0.288 62.137 62.300 0.208 0.000 0.930 38 V CB 2.043 33.987 31.823 0.202 0.000 1.014 38 V HN 0.906 9.096 8.190 -0.000 0.000 0.425 39 A N 3.732 126.655 122.820 0.171 0.000 2.475 39 A HA 0.649 4.976 4.320 0.012 0.000 0.301 39 A C 0.216 177.941 177.584 0.235 0.000 1.059 39 A CA -0.424 51.678 52.037 0.108 0.000 0.710 39 A CB 1.586 20.578 19.000 -0.014 0.000 1.288 39 A HN 0.788 8.938 8.150 -0.000 0.000 0.408 40 D N 0.524 121.031 120.400 0.178 0.000 2.178 40 D HA -0.030 4.617 4.640 0.012 0.000 0.201 40 D C 0.439 176.939 176.300 0.333 0.000 0.980 40 D CA 1.889 56.038 54.000 0.249 0.000 0.842 40 D CB 0.155 41.069 40.800 0.190 0.000 0.948 40 D HN 0.697 9.067 8.370 -0.000 0.000 0.472 41 K N -0.720 119.789 120.400 0.182 0.000 2.568 41 K HA 0.435 4.762 4.320 0.012 0.000 0.273 41 K C -1.260 175.246 176.600 -0.157 0.000 0.951 41 K CA -0.868 55.430 56.287 0.017 0.000 0.854 41 K CB 1.711 34.215 32.500 0.006 0.000 1.424 41 K HN -0.279 7.971 8.250 -0.000 0.000 0.427 42 Q N 1.058 120.640 119.800 -0.364 0.000 2.333 42 Q HA 0.229 4.576 4.340 0.012 0.000 0.267 42 Q C 0.082 175.928 176.000 -0.257 0.000 1.012 42 Q CA -0.648 54.968 55.803 -0.312 0.000 0.824 42 Q CB 2.200 30.703 28.738 -0.390 0.000 1.290 42 Q HN 0.903 9.173 8.270 -0.000 0.000 0.449 43 T N -1.255 113.192 114.554 -0.179 0.000 3.044 43 T HA 0.182 4.539 4.350 0.012 0.000 0.255 43 T C 0.889 175.512 174.700 -0.129 0.000 1.073 43 T CA 0.356 62.373 62.100 -0.137 0.000 1.125 43 T CB 0.365 69.175 68.868 -0.098 0.000 0.908 43 T HN 0.407 8.647 8.240 -0.000 0.000 0.480 44 M N 2.317 121.837 119.600 -0.134 0.000 3.269 44 M HA 0.417 4.904 4.480 0.012 0.000 0.340 44 M C 0.492 176.720 176.300 -0.120 0.000 1.662 44 M CA -0.613 54.620 55.300 -0.112 0.000 0.547 44 M CB 0.857 33.406 32.600 -0.084 0.000 1.449 44 M HN 0.337 8.627 8.290 -0.000 0.000 0.459 56 P HA 0.256 4.676 4.420 -0.000 0.000 0.274 56 P C -0.158 177.347 177.300 0.341 0.000 1.246 56 P CA -0.397 62.771 63.100 0.113 0.000 0.795 56 P CB 0.489 32.255 31.700 0.110 0.000 1.006 57 E N 0.219 120.547 120.200 0.213 0.000 2.414 57 E HA 0.248 4.605 4.350 0.012 0.000 0.263 57 E C 0.990 177.698 176.600 0.179 0.000 1.000 57 E CA 1.016 57.543 56.400 0.211 0.000 0.914 57 E CB -0.188 29.584 29.700 0.119 0.000 0.948 57 E HN 0.809 9.169 8.360 -0.000 0.000 0.444 58 G N 2.166 111.042 108.800 0.126 0.000 2.316 58 G HA2 -0.182 3.785 3.960 0.012 0.000 0.203 58 G HA3 -0.182 3.785 3.960 0.012 0.000 0.203 58 G C 0.462 175.313 174.900 -0.082 0.000 0.999 58 G CA -0.329 44.790 45.100 0.031 0.000 0.649 58 G HN 0.798 9.088 8.290 -0.000 0.000 0.489 59 G N -0.556 108.161 108.800 -0.138 0.000 2.511 59 G HA2 0.682 4.649 3.960 0.012 0.000 0.316 59 G HA3 0.682 4.649 3.960 0.012 0.000 0.316 59 G C -0.802 173.427 174.900 -1.118 0.000 1.210 59 G CA -0.539 44.106 45.100 -0.758 0.000 0.969 59 G HN 0.911 9.201 8.290 -0.000 0.000 0.492 60 L N 0.391 120.893 121.223 -1.202 0.000 2.277 60 L HA 0.603 4.950 4.340 0.012 0.000 0.284 60 L C -1.465 174.979 176.870 -0.709 0.000 1.028 60 L CA -1.172 53.248 54.840 -0.699 0.000 0.835 60 L CB 0.381 42.240 42.059 -0.333 0.000 1.215 60 L HN 0.508 8.738 8.230 -0.000 0.000 0.425 61 W N 7.668 128.995 121.300 0.044 0.000 2.336 61 W HA 0.621 5.287 4.660 0.011 0.000 0.315 61 W C -0.902 175.642 176.519 0.041 0.000 1.016 61 W CA -0.926 56.432 57.345 0.021 0.000 1.318 61 W CB 1.040 30.496 29.460 -0.007 0.000 1.247 61 W HN 0.397 8.577 8.180 -0.000 0.000 0.414 62 L N 0.534 121.889 121.223 0.220 0.000 2.479 62 L HA 0.948 5.295 4.340 0.012 0.000 0.255 62 L C -0.435 176.503 176.870 0.113 0.000 1.026 62 L CA -1.098 53.844 54.840 0.170 0.000 0.842 62 L CB 1.976 44.154 42.059 0.198 0.000 1.444 62 L HN 0.043 8.273 8.230 -0.000 0.000 0.409 63 S N 0.785 116.544 115.700 0.099 0.000 2.549 63 S HA 0.857 5.334 4.470 0.012 0.000 0.280 63 S C -0.867 173.767 174.600 0.057 0.000 1.109 63 S CA -0.416 57.820 58.200 0.060 0.000 0.905 63 S CB 1.560 64.793 63.200 0.056 0.000 1.081 63 S HN 0.594 8.904 8.310 -0.000 0.000 0.477 64 I N 1.813 122.388 120.570 0.009 0.000 2.498 64 I HA 0.402 4.579 4.170 0.012 0.000 0.290 64 I C -0.790 175.302 176.117 -0.042 0.000 1.032 64 I CA -1.031 60.257 61.300 -0.019 0.000 1.073 64 I CB 1.942 39.894 38.000 -0.079 0.000 1.251 64 I HN 0.259 8.469 8.210 -0.000 0.000 0.426 65 V N 7.213 127.114 119.914 -0.020 0.000 2.432 65 V HA 0.372 4.499 4.120 0.012 0.000 0.271 65 V C 0.095 176.148 176.094 -0.069 0.000 1.046 65 V CA -0.112 62.176 62.300 -0.021 0.000 0.945 65 V CB 0.890 32.727 31.823 0.023 0.000 0.992 65 V HN 0.446 8.636 8.190 -0.000 0.000 0.471 66 L N 3.809 124.987 121.223 -0.074 0.000 2.354 66 L HA 0.643 4.990 4.340 0.012 0.000 0.264 66 L C 0.069 176.966 176.870 0.044 0.000 1.008 66 L CA -0.352 54.434 54.840 -0.090 0.000 0.819 66 L CB 2.290 44.217 42.059 -0.220 0.000 1.339 66 L HN 0.538 8.768 8.230 -0.000 0.000 0.420 67 S N 1.998 117.782 115.700 0.140 0.000 2.407 67 S HA 0.323 4.800 4.470 0.012 0.000 0.166 67 S C -2.561 172.167 174.600 0.213 0.000 1.445 67 S CA -0.928 57.360 58.200 0.147 0.000 1.260 67 S CB 0.367 63.633 63.200 0.110 0.000 1.401 67 S HN 0.371 8.681 8.310 -0.000 0.000 0.379 68 P HA 0.195 4.615 4.420 -0.000 0.000 0.266 68 P C -0.723 176.669 177.300 0.155 0.000 1.215 68 P CA -0.271 63.001 63.100 0.287 0.000 0.763 68 P CB 0.527 32.495 31.700 0.446 0.000 0.806 69 K N 3.452 123.904 120.400 0.085 0.000 2.333 69 K HA 0.323 4.650 4.320 0.012 0.000 0.241 69 K C -0.237 176.364 176.600 0.001 0.000 1.193 69 K CA -0.453 55.860 56.287 0.043 0.000 1.142 69 K CB 0.101 32.617 32.500 0.027 0.000 1.731 69 K HN 0.290 8.540 8.250 -0.000 0.000 0.344 70 V N 1.888 121.810 119.914 0.012 0.000 2.962 70 V HA 0.320 4.447 4.120 0.012 0.000 0.313 70 V C -2.288 173.807 176.094 0.002 0.000 1.099 70 V CA -2.365 59.906 62.300 -0.047 0.000 0.971 70 V CB 2.042 33.773 31.823 -0.153 0.000 1.028 70 V HN 0.353 8.543 8.190 -0.000 0.000 0.430 71 P HA 0.015 4.435 4.420 -0.000 0.000 0.264 71 P C 0.645 177.983 177.300 0.063 0.000 1.173 71 P CA 0.404 63.518 63.100 0.025 0.000 0.761 71 P CB 0.335 32.045 31.700 0.017 0.000 0.794 72 Q N 2.606 122.448 119.800 0.069 0.000 2.197 72 Q HA -0.270 4.077 4.340 0.012 0.000 0.207 72 Q C 1.580 177.649 176.000 0.114 0.000 0.984 72 Q CA 1.874 57.727 55.803 0.084 0.000 0.869 72 Q CB -0.473 28.304 28.738 0.064 0.000 0.906 72 Q HN 0.519 8.789 8.270 -0.000 0.000 0.426 73 K N 0.504 120.982 120.400 0.130 0.000 2.442 73 K HA -0.109 4.218 4.320 0.012 0.000 0.198 73 K C 0.824 177.568 176.600 0.239 0.000 1.042 73 K CA 1.573 57.982 56.287 0.203 0.000 0.958 73 K CB 0.210 32.869 32.500 0.265 0.000 0.766 73 K HN 0.130 8.380 8.250 -0.000 0.000 0.474 74 D N 0.491 121.003 120.400 0.186 0.000 2.338 74 D HA 0.090 4.736 4.640 0.012 0.000 0.208 74 D C 1.786 178.301 176.300 0.359 0.000 0.997 74 D CA 0.325 54.468 54.000 0.237 0.000 0.880 74 D CB 0.064 40.913 40.800 0.082 0.000 0.980 74 D HN 0.142 8.512 8.370 -0.000 0.000 0.509 75 L N 1.215 122.601 121.223 0.271 0.000 2.089 75 L HA -0.176 4.171 4.340 0.012 0.000 0.213 75 L C -0.545 176.408 176.870 0.140 0.000 1.079 75 L CA 1.476 56.458 54.840 0.237 0.000 0.758 75 L CB -1.690 40.459 42.059 0.151 0.000 0.891 75 L HN 0.017 8.247 8.230 -0.000 0.000 0.433 76 P HA -0.158 4.262 4.420 -0.000 0.000 0.228 76 P C 0.956 178.200 177.300 -0.093 0.000 1.151 76 P CA 1.245 64.361 63.100 0.026 0.000 0.770 76 P CB -0.011 31.739 31.700 0.082 0.000 0.786 77 K N -1.090 119.314 120.400 0.006 0.000 2.444 77 K HA 0.151 4.478 4.320 0.012 0.000 0.193 77 K C 1.609 178.061 176.600 -0.246 0.000 1.024 77 K CA 0.070 56.319 56.287 -0.063 0.000 1.077 77 K CB -0.189 32.507 32.500 0.326 0.000 0.833 77 K HN 0.195 8.445 8.250 -0.000 0.000 0.517 78 I N 0.374 120.775 120.570 -0.282 0.000 2.264 78 I HA -0.283 3.894 4.170 0.012 0.000 0.248 78 I C 2.251 178.214 176.117 -0.256 0.000 1.111 78 I CA 0.966 62.073 61.300 -0.322 0.000 1.382 78 I CB -0.293 37.587 38.000 -0.200 0.000 1.060 78 I HN 0.019 8.229 8.210 -0.000 0.000 0.418 79 V N 0.980 120.707 119.914 -0.312 0.000 2.392 79 V HA -0.300 3.826 4.120 0.012 0.000 0.249 79 V C 2.319 178.306 176.094 -0.179 0.000 1.059 79 V CA 1.995 64.114 62.300 -0.300 0.000 1.051 79 V CB -0.464 31.087 31.823 -0.452 0.000 0.658 79 V HN 0.234 8.424 8.190 -0.000 0.000 0.455 80 F N 0.004 119.870 119.950 -0.141 0.000 2.216 80 F HA -0.041 4.492 4.527 0.010 0.000 0.300 80 F C 2.134 177.876 175.800 -0.096 0.000 1.085 80 F CA 1.110 59.049 58.000 -0.102 0.000 1.326 80 F CB -0.991 37.980 39.000 -0.049 0.000 1.027 80 F HN 0.153 8.453 8.300 -0.000 0.000 0.497 81 L N -0.605 120.640 121.223 0.036 0.000 2.046 81 L HA -0.151 4.196 4.340 0.012 0.000 0.208 81 L C 2.763 179.625 176.870 -0.014 0.000 1.077 81 L CA 1.498 56.328 54.840 -0.018 0.000 0.747 81 L CB -1.456 40.539 42.059 -0.108 0.000 0.896 81 L HN 0.240 8.470 8.230 -0.000 0.000 0.432 82 G N -0.499 108.278 108.800 -0.039 0.000 2.404 82 G HA2 -0.208 3.759 3.960 0.012 0.000 0.215 82 G HA3 -0.208 3.759 3.960 0.012 0.000 0.215 82 G C 1.787 176.677 174.900 -0.017 0.000 1.174 82 G CA 0.782 45.858 45.100 -0.041 0.000 0.780 82 G HN 0.455 8.745 8.290 -0.000 0.000 0.537 83 A N 0.143 122.968 122.820 0.008 0.000 1.877 83 A HA 0.052 4.379 4.320 0.012 0.000 0.216 83 A C 2.602 180.197 177.584 0.017 0.000 1.186 83 A CA 1.923 53.972 52.037 0.019 0.000 0.620 83 A CB -0.721 18.316 19.000 0.062 0.000 0.822 83 A HN 0.262 8.412 8.150 -0.000 0.000 0.443 84 V N -0.073 119.858 119.914 0.029 0.000 2.427 84 V HA -0.153 3.974 4.120 0.012 0.000 0.248 84 V C 2.802 178.900 176.094 0.007 0.000 1.051 84 V CA 1.827 64.136 62.300 0.015 0.000 1.048 84 V CB -1.409 30.426 31.823 0.020 0.000 0.666 84 V HN 0.626 8.816 8.190 -0.000 0.000 0.456 85 G N -0.120 108.682 108.800 0.003 0.000 2.440 85 G HA2 -0.216 3.751 3.960 0.012 0.000 0.218 85 G HA3 -0.216 3.751 3.960 0.012 0.000 0.218 85 G C 1.676 176.568 174.900 -0.012 0.000 1.154 85 G CA 1.293 46.389 45.100 -0.007 0.000 0.767 85 G HN 0.383 8.673 8.290 -0.000 0.000 0.552 86 V N 0.430 120.333 119.914 -0.018 0.000 2.295 86 V HA -0.168 3.959 4.120 0.012 0.000 0.246 86 V C 3.037 179.124 176.094 -0.012 0.000 1.049 86 V CA 1.477 63.762 62.300 -0.025 0.000 1.024 86 V CB -0.407 31.397 31.823 -0.032 0.000 0.648 86 V HN 0.246 8.436 8.190 -0.000 0.000 0.447 87 V N -0.017 119.893 119.914 -0.005 0.000 2.332 87 V HA -0.288 3.839 4.120 0.012 0.000 0.248 87 V C 2.431 178.533 176.094 0.013 0.000 1.055 87 V CA 2.180 64.480 62.300 -0.000 0.000 1.038 87 V CB -0.672 31.149 31.823 -0.004 0.000 0.651 87 V HN 0.640 8.830 8.190 -0.000 0.000 0.450 88 E N -0.382 119.827 120.200 0.014 0.000 2.077 88 E HA -0.190 4.167 4.350 0.012 0.000 0.193 88 E C 2.301 178.930 176.600 0.049 0.000 0.989 88 E CA 1.747 58.161 56.400 0.023 0.000 0.800 88 E CB -0.305 29.405 29.700 0.016 0.000 0.746 88 E HN 0.549 8.909 8.360 -0.000 0.000 0.452 89 T N 1.586 116.173 114.554 0.056 0.000 2.746 89 T HA -0.097 4.260 4.350 0.012 0.000 0.267 89 T C 1.952 176.772 174.700 0.200 0.000 1.039 89 T CA 0.737 62.910 62.100 0.122 0.000 1.142 89 T CB -0.151 68.754 68.868 0.063 0.000 0.866 89 T HN 0.077 8.317 8.240 -0.000 0.000 0.444 90 L N 0.439 121.719 121.223 0.094 0.000 2.046 90 L HA -0.124 4.223 4.340 0.012 0.000 0.208 90 L C 2.623 179.573 176.870 0.134 0.000 1.077 90 L CA 1.455 56.351 54.840 0.093 0.000 0.747 90 L CB -0.448 41.622 42.059 0.020 0.000 0.896 90 L HN 0.225 8.455 8.230 -0.000 0.000 0.432 91 K N -0.009 120.441 120.400 0.084 0.000 2.147 91 K HA -0.187 4.140 4.320 0.012 0.000 0.205 91 K C 1.952 178.585 176.600 0.055 0.000 1.049 91 K CA 1.273 57.594 56.287 0.056 0.000 0.936 91 K CB -0.082 32.434 32.500 0.027 0.000 0.722 91 K HN 0.357 8.607 8.250 -0.000 0.000 0.446 92 E N -0.234 120.009 120.200 0.073 0.000 2.153 92 E HA -0.147 4.210 4.350 0.012 0.000 0.194 92 E C 0.916 177.432 176.600 -0.139 0.000 0.988 92 E CA 0.954 57.334 56.400 -0.033 0.000 0.811 92 E CB 0.003 29.682 29.700 -0.035 0.000 0.746 92 E HN 0.245 8.605 8.360 -0.000 0.000 0.466 93 F N 0.170 120.110 119.950 -0.017 0.000 2.660 93 F HA 0.166 4.697 4.527 0.007 0.000 0.302 93 F C 0.590 176.381 175.800 -0.015 0.000 1.103 93 F CA -0.042 57.949 58.000 -0.016 0.000 1.340 93 F CB 0.389 39.378 39.000 -0.019 0.000 1.048 93 F HN -0.276 8.024 8.300 -0.000 0.000 0.551 94 S N 0.883 116.643 115.700 0.099 0.000 3.698 94 S HA -0.209 4.268 4.470 0.012 0.000 0.338 94 S C 0.025 174.662 174.600 0.061 0.000 1.089 94 S CA 0.249 58.482 58.200 0.056 0.000 0.991 94 S CB -2.039 61.179 63.200 0.031 0.000 0.909 94 S HN 0.326 8.636 8.310 -0.000 0.000 0.485 95 I N 1.253 121.866 120.570 0.073 0.000 2.378 95 I HA 0.259 4.436 4.170 0.012 0.000 0.291 95 I C 0.139 176.268 176.117 0.021 0.000 0.992 95 I CA -0.624 60.702 61.300 0.042 0.000 1.154 95 I CB 1.454 39.477 38.000 0.038 0.000 1.315 95 I HN -0.046 8.164 8.210 -0.000 0.000 0.448 96 D N 6.154 126.556 120.400 0.004 0.000 2.551 96 D HA 0.177 4.824 4.640 0.012 0.000 0.223 96 D C 0.330 176.613 176.300 -0.028 0.000 1.144 96 D CA 0.048 54.041 54.000 -0.011 0.000 1.025 96 D CB 0.343 41.133 40.800 -0.016 0.000 1.085 96 D HN 0.643 9.013 8.370 -0.000 0.000 0.506 97 G N 2.670 111.456 108.800 -0.023 0.000 2.390 97 G HA2 0.478 4.445 3.960 0.012 0.000 0.270 97 G HA3 0.478 4.445 3.960 0.012 0.000 0.270 97 G C -0.142 174.732 174.900 -0.044 0.000 1.211 97 G CA -0.671 44.409 45.100 -0.034 0.000 0.842 97 G HN 0.371 8.661 8.290 -0.000 0.000 0.519 98 R N 1.441 121.902 120.500 -0.066 0.000 2.686 98 R HA 0.368 4.715 4.340 0.012 0.000 0.286 98 R C -0.610 175.667 176.300 -0.038 0.000 0.969 98 R CA -0.909 55.150 56.100 -0.069 0.000 0.898 98 R CB 2.504 32.724 30.300 -0.133 0.000 1.183 98 R HN 0.419 8.689 8.270 -0.000 0.000 0.456 99 I N 2.359 122.930 120.570 0.002 0.000 2.416 99 I HA 0.114 4.291 4.170 0.012 0.000 0.288 99 I C 0.424 176.619 176.117 0.130 0.000 1.051 99 I CA -0.068 61.262 61.300 0.050 0.000 1.375 99 I CB 0.731 38.763 38.000 0.052 0.000 1.407 99 I HN 0.336 8.546 8.210 -0.000 0.000 0.516 100 K N 7.519 128.015 120.400 0.159 0.000 2.264 100 K HA 0.110 4.437 4.320 0.012 0.000 0.277 100 K C -0.635 176.083 176.600 0.197 0.000 1.067 100 K CA -0.634 55.819 56.287 0.278 0.000 0.900 100 K CB 0.614 33.294 32.500 0.300 0.000 1.124 100 K HN 0.537 8.787 8.250 -0.000 0.000 0.469 101 W N 8.089 129.421 121.300 0.053 0.000 2.409 101 W HA -0.010 4.656 4.660 0.010 0.000 0.338 101 W C -1.885 174.594 176.519 -0.067 0.000 1.273 101 W CA -0.928 56.438 57.345 0.036 0.000 1.299 101 W CB 0.910 30.403 29.460 0.056 0.000 1.192 101 W HN 0.554 8.734 8.180 -0.000 0.000 0.565 102 P HA 0.074 4.494 4.420 -0.000 0.000 0.291 102 P C -0.114 176.917 177.300 -0.449 0.000 1.341 102 P CA 0.477 63.045 63.100 -0.887 0.000 0.999 102 P CB 0.613 31.303 31.700 -1.683 0.000 1.501 103 N N -1.379 117.050 118.700 -0.452 0.000 2.143 103 N HA 0.109 4.856 4.740 0.012 0.000 0.222 103 N C -0.347 175.078 175.510 -0.141 0.000 1.264 103 N CA -0.089 52.775 53.050 -0.311 0.000 0.897 103 N CB -0.057 38.177 38.487 -0.421 0.000 1.092 103 N HN -0.141 8.239 8.380 -0.000 0.000 0.516 104 D N 0.091 120.442 120.400 -0.081 0.000 2.350 104 D HA 0.471 5.118 4.640 0.012 0.000 0.238 104 D C -0.701 175.607 176.300 0.015 0.000 0.989 104 D CA -0.489 53.503 54.000 -0.014 0.000 0.921 104 D CB 2.945 43.757 40.800 0.020 0.000 1.297 104 D HN -0.221 8.149 8.370 -0.000 0.000 0.490 105 V N 1.798 121.720 119.914 0.013 0.000 2.487 105 V HA 0.457 4.584 4.120 0.012 0.000 0.298 105 V C -0.155 175.940 176.094 0.001 0.000 1.028 105 V CA -0.697 61.605 62.300 0.004 0.000 0.860 105 V CB 1.464 33.281 31.823 -0.010 0.000 0.991 105 V HN 0.301 8.491 8.190 -0.000 0.000 0.427 106 L N 4.597 125.805 121.223 -0.024 0.000 2.333 106 L HA 0.797 5.143 4.340 0.012 0.000 0.269 106 L C -0.892 175.928 176.870 -0.082 0.000 1.010 106 L CA -1.077 53.735 54.840 -0.047 0.000 0.818 106 L CB 2.313 44.318 42.059 -0.090 0.000 1.306 106 L HN 0.309 8.539 8.230 -0.000 0.000 0.430 107 V N 1.680 121.560 119.914 -0.057 0.000 2.409 107 V HA 0.308 4.435 4.120 0.012 0.000 0.290 107 V C -0.235 175.839 176.094 -0.033 0.000 1.017 107 V CA -0.675 61.594 62.300 -0.051 0.000 0.841 107 V CB 1.251 33.060 31.823 -0.023 0.000 1.003 107 V HN 0.893 9.083 8.190 -0.000 0.000 0.426 108 N N 4.389 123.058 118.700 -0.051 0.000 2.735 108 N HA -0.260 4.487 4.740 0.012 0.000 0.248 108 N C 0.147 175.737 175.510 0.134 0.000 1.083 108 N CA 1.178 54.249 53.050 0.034 0.000 0.703 108 N CB -1.214 37.302 38.487 0.047 0.000 1.005 108 N HN 0.967 9.347 8.380 -0.000 0.000 0.550 109 Y N -3.002 117.260 120.300 -0.064 0.000 4.798 109 Y HA -0.317 4.236 4.550 0.005 0.000 0.237 109 Y C 0.439 176.339 175.900 -0.001 0.000 1.017 109 Y CA 1.389 59.449 58.100 -0.066 0.000 2.010 109 Y CB -1.347 37.049 38.460 -0.106 0.000 1.582 109 Y HN 0.244 8.524 8.280 -0.000 0.000 0.621 110 K N 1.188 121.645 120.400 0.094 0.000 2.235 110 K HA 0.335 4.662 4.320 0.012 0.000 0.266 110 K C 0.073 176.706 176.600 0.055 0.000 0.980 110 K CA -1.064 55.271 56.287 0.081 0.000 0.849 110 K CB 1.767 34.303 32.500 0.060 0.000 1.098 110 K HN 0.019 8.269 8.250 -0.000 0.000 0.445 111 K N 3.550 123.992 120.400 0.070 0.000 2.447 111 K HA 0.012 4.338 4.320 0.012 0.000 0.281 111 K C 0.362 176.986 176.600 0.040 0.000 1.031 111 K CA 0.242 56.563 56.287 0.058 0.000 1.019 111 K CB 0.348 32.891 32.500 0.072 0.000 0.918 111 K HN 0.652 8.902 8.250 -0.000 0.000 0.476 112 I N 2.574 123.157 120.570 0.022 0.000 4.323 112 I HA 0.231 4.408 4.170 0.012 0.000 0.328 112 I C -0.447 175.670 176.117 -0.001 0.000 1.310 112 I CA 0.031 61.333 61.300 0.004 0.000 1.186 112 I CB 0.703 38.691 38.000 -0.020 0.000 1.130 112 I HN 0.686 8.896 8.210 -0.000 0.000 0.411 113 A N -0.341 122.486 122.820 0.011 0.000 2.604 113 A HA 0.751 5.077 4.320 0.012 0.000 0.295 113 A C -0.798 176.802 177.584 0.026 0.000 1.067 113 A CA -0.144 51.901 52.037 0.013 0.000 0.683 113 A CB 1.088 20.076 19.000 -0.021 0.000 1.281 113 A HN 0.160 8.310 8.150 -0.000 0.000 0.407 114 G N -0.361 108.463 108.800 0.040 0.000 2.638 114 G HA2 0.627 4.594 3.960 0.012 0.000 0.302 114 G HA3 0.627 4.594 3.960 0.012 0.000 0.302 114 G C -1.504 173.402 174.900 0.010 0.000 1.365 114 G CA -0.494 44.620 45.100 0.023 0.000 0.987 114 G HN 1.138 9.428 8.290 -0.000 0.000 0.495 115 V N 1.839 121.734 119.914 -0.032 0.000 2.555 115 V HA 0.688 4.815 4.120 0.012 0.000 0.302 115 V C -0.774 175.280 176.094 -0.065 0.000 1.038 115 V CA -0.830 61.440 62.300 -0.050 0.000 0.887 115 V CB 1.625 33.400 31.823 -0.080 0.000 0.991 115 V HN 0.697 8.887 8.190 -0.000 0.000 0.434 116 L N 5.956 127.152 121.223 -0.045 0.000 2.441 116 L HA 0.704 5.050 4.340 0.012 0.000 0.270 116 L C -0.859 175.985 176.870 -0.045 0.000 0.973 116 L CA -0.065 54.751 54.840 -0.038 0.000 0.842 116 L CB 1.918 43.968 42.059 -0.014 0.000 1.239 116 L HN 0.433 8.663 8.230 -0.000 0.000 0.406 117 V N 4.502 124.383 119.914 -0.056 0.000 2.435 117 V HA 0.588 4.715 4.120 0.012 0.000 0.290 117 V C -0.284 175.788 176.094 -0.038 0.000 1.030 117 V CA -0.533 61.732 62.300 -0.058 0.000 0.881 117 V CB 1.682 33.452 31.823 -0.088 0.000 0.983 117 V HN 0.769 8.959 8.190 -0.000 0.000 0.445 118 E N 2.327 122.507 120.200 -0.034 0.000 2.272 118 E HA 0.757 5.113 4.350 0.012 0.000 0.269 118 E C -0.111 176.475 176.600 -0.024 0.000 0.877 118 E CA -0.496 55.887 56.400 -0.028 0.000 0.755 118 E CB 2.603 32.286 29.700 -0.029 0.000 1.192 118 E HN 0.891 9.251 8.360 -0.000 0.000 0.422 123 K N 1.090 121.512 120.400 0.036 0.000 2.312 123 K HA 0.465 4.792 4.320 0.012 0.000 0.287 123 K C -0.830 175.780 176.600 0.016 0.000 1.062 123 K CA -0.337 55.967 56.287 0.029 0.000 0.934 123 K CB 0.323 32.833 32.500 0.017 0.000 1.027 123 K HN 0.242 8.492 8.250 -0.000 0.000 0.478 124 I N 5.068 125.647 120.570 0.015 0.000 2.433 124 I HA 0.254 4.431 4.170 0.012 0.000 0.292 124 I C -0.455 175.648 176.117 -0.024 0.000 1.001 124 I CA -0.951 60.349 61.300 -0.001 0.000 1.119 124 I CB 1.652 39.659 38.000 0.011 0.000 1.289 124 I HN 0.342 8.552 8.210 -0.000 0.000 0.438 125 V N 6.709 126.605 119.914 -0.030 0.000 2.384 125 V HA 0.327 4.454 4.120 0.012 0.000 0.287 125 V C -0.258 175.808 176.094 -0.046 0.000 1.020 125 V CA -0.747 61.532 62.300 -0.034 0.000 0.850 125 V CB 2.096 33.906 31.823 -0.022 0.000 0.987 125 V HN 0.465 8.655 8.190 -0.000 0.000 0.436 126 L N 5.774 126.961 121.223 -0.060 0.000 2.264 126 L HA 0.812 5.159 4.340 0.012 0.000 0.287 126 L C 0.482 177.329 176.870 -0.039 0.000 1.039 126 L CA 0.249 55.048 54.840 -0.069 0.000 0.829 126 L CB 0.726 42.721 42.059 -0.107 0.000 1.211 126 L HN 0.649 8.879 8.230 -0.000 0.000 0.427 127 G N 6.094 114.879 108.800 -0.026 0.000 2.356 127 G HA2 0.654 4.621 3.960 0.012 0.000 0.322 127 G HA3 0.654 4.621 3.960 0.012 0.000 0.322 127 G C -0.900 174.007 174.900 0.011 0.000 1.125 127 G CA -0.454 44.649 45.100 0.005 0.000 0.885 127 G HN 0.605 8.895 8.290 -0.000 0.000 0.467 128 I N 1.145 121.740 120.570 0.042 0.000 2.569 128 I HA 0.517 4.694 4.170 0.012 0.000 0.290 128 I C 0.204 176.387 176.117 0.110 0.000 1.088 128 I CA -0.866 60.460 61.300 0.043 0.000 1.047 128 I CB 2.747 40.749 38.000 0.003 0.000 1.237 128 I HN 0.604 8.814 8.210 -0.000 0.000 0.421 129 G N 6.012 114.894 108.800 0.138 0.000 2.626 129 G HA2 0.659 4.626 3.960 0.012 0.000 0.304 129 G HA3 0.659 4.626 3.960 0.012 0.000 0.304 129 G C -1.792 173.139 174.900 0.051 0.000 1.385 129 G CA -0.364 44.902 45.100 0.277 0.000 0.957 129 G HN 0.370 8.660 8.290 -0.000 0.000 0.504 130 L N 2.080 123.164 121.223 -0.232 0.000 2.381 130 L HA 0.547 4.894 4.340 0.012 0.000 0.274 130 L C -0.985 175.648 176.870 -0.396 0.000 0.988 130 L CA -1.095 53.601 54.840 -0.240 0.000 0.824 130 L CB 1.812 43.741 42.059 -0.216 0.000 1.263 130 L HN 0.352 8.582 8.230 -0.000 0.000 0.410 131 N N 4.029 122.610 118.700 -0.199 0.000 2.420 131 N HA 0.251 4.998 4.740 0.012 0.000 0.262 131 N C 0.367 175.770 175.510 -0.178 0.000 1.144 131 N CA -0.061 52.895 53.050 -0.157 0.000 0.952 131 N CB 1.890 40.368 38.487 -0.014 0.000 1.081 131 N HN 0.564 8.944 8.380 -0.000 0.000 0.480 132 V N 2.385 122.172 119.914 -0.212 0.000 3.204 132 V HA 0.107 4.234 4.120 0.012 0.000 0.218 132 V C 1.205 177.231 176.094 -0.113 0.000 1.159 132 V CA 0.437 62.624 62.300 -0.188 0.000 1.282 132 V CB 0.015 31.698 31.823 -0.234 0.000 1.225 132 V HN 0.567 8.757 8.190 -0.000 0.000 0.509 133 N N 1.054 119.701 118.700 -0.088 0.000 2.184 133 N HA 0.096 4.843 4.740 0.012 0.000 0.206 133 N C 0.098 175.608 175.510 -0.001 0.000 1.151 133 N CA -0.078 52.950 53.050 -0.038 0.000 0.878 133 N CB 0.078 38.546 38.487 -0.032 0.000 1.014 133 N HN 0.645 9.025 8.380 -0.000 0.000 0.512 134 N N 1.203 119.913 118.700 0.016 0.000 2.467 134 N HA 0.056 4.803 4.740 0.012 0.000 0.262 134 N C -0.129 175.422 175.510 0.069 0.000 1.234 134 N CA 0.083 53.180 53.050 0.077 0.000 0.952 134 N CB 1.349 39.945 38.487 0.181 0.000 1.158 134 N HN -0.121 8.259 8.380 -0.000 0.000 0.463 135 K N -0.126 120.317 120.400 0.072 0.000 2.295 135 K HA 0.260 4.587 4.320 0.012 0.000 0.270 135 K C 0.094 176.738 176.600 0.072 0.000 1.011 135 K CA -0.547 55.774 56.287 0.056 0.000 0.953 135 K CB 0.826 33.353 32.500 0.045 0.000 0.956 135 K HN 0.569 8.819 8.250 -0.000 0.000 0.477 136 V N -0.614 119.335 119.914 0.058 0.000 3.074 136 V HA 0.579 4.706 4.120 0.012 0.000 0.314 136 V C -2.577 173.546 176.094 0.048 0.000 1.117 136 V CA -2.353 59.987 62.300 0.066 0.000 1.014 136 V CB 1.126 32.988 31.823 0.066 0.000 1.057 136 V HN 0.595 8.785 8.190 -0.000 0.000 0.438 137 P HA 0.318 4.738 4.420 -0.000 0.000 0.272 137 P C -0.753 176.568 177.300 0.036 0.000 1.230 137 P CA -0.263 62.858 63.100 0.036 0.000 0.788 137 P CB 0.141 31.861 31.700 0.034 0.000 0.949 138 N N 0.946 119.664 118.700 0.029 0.000 2.412 138 N HA 0.244 4.991 4.740 0.012 0.000 0.254 138 N C 1.511 177.043 175.510 0.036 0.000 1.232 138 N CA 1.476 54.544 53.050 0.029 0.000 0.880 138 N CB -0.037 38.464 38.487 0.024 0.000 1.076 138 N HN 0.764 9.144 8.380 -0.000 0.000 0.458 139 G N -0.714 108.109 108.800 0.039 0.000 2.258 139 G HA2 -0.206 3.761 3.960 0.012 0.000 0.233 139 G HA3 -0.206 3.761 3.960 0.012 0.000 0.233 139 G C 0.278 175.212 174.900 0.056 0.000 1.006 139 G CA 0.337 45.466 45.100 0.048 0.000 0.620 139 G HN 0.926 9.216 8.290 -0.000 0.000 0.511 140 A N -0.920 121.931 122.820 0.051 0.000 2.239 140 A HA 0.943 5.270 4.320 0.012 0.000 0.303 140 A C 0.405 178.014 177.584 0.043 0.000 1.114 140 A CA 0.982 53.051 52.037 0.053 0.000 0.871 140 A CB 1.380 20.415 19.000 0.058 0.000 1.201 140 A HN 1.346 9.496 8.150 -0.000 0.000 0.506 141 T N -1.669 112.907 114.554 0.036 0.000 2.754 141 T HA 0.679 5.036 4.350 0.012 0.000 0.296 141 T C -0.686 174.020 174.700 0.011 0.000 1.205 141 T CA 0.223 62.337 62.100 0.023 0.000 1.009 141 T CB 1.204 70.083 68.868 0.018 0.000 1.368 141 T HN 1.847 10.087 8.240 -0.000 0.000 0.509 142 S N 0.357 116.055 115.700 -0.004 0.000 2.638 142 S HA 0.478 4.955 4.470 0.012 0.000 0.274 142 S C 1.114 175.689 174.600 -0.043 0.000 1.157 142 S CA -0.882 57.301 58.200 -0.028 0.000 0.826 142 S CB 1.155 64.342 63.200 -0.022 0.000 1.139 142 S HN 0.721 9.031 8.310 -0.000 0.000 0.474 143 M N 1.072 120.623 119.600 -0.080 0.000 2.159 143 M HA -0.034 4.453 4.480 0.012 0.000 0.263 143 M C 2.267 178.535 176.300 -0.053 0.000 1.063 143 M CA 1.665 56.911 55.300 -0.090 0.000 1.110 143 M CB -0.507 31.985 32.600 -0.180 0.000 1.374 143 M HN 0.869 9.159 8.290 -0.000 0.000 0.411 144 K N 1.162 121.533 120.400 -0.049 0.000 2.057 144 K HA -0.123 4.204 4.320 0.012 0.000 0.206 144 K C 1.754 178.349 176.600 -0.008 0.000 1.050 144 K CA 1.184 57.456 56.287 -0.024 0.000 0.935 144 K CB -0.086 32.401 32.500 -0.022 0.000 0.715 144 K HN 0.295 8.545 8.250 -0.000 0.000 0.439 145 L N 0.879 122.098 121.223 -0.007 0.000 2.141 145 L HA -0.144 4.203 4.340 0.012 0.000 0.209 145 L C 2.391 179.263 176.870 0.004 0.000 1.094 145 L CA 0.926 55.767 54.840 0.002 0.000 0.763 145 L CB -0.260 41.802 42.059 0.005 0.000 0.908 145 L HN 0.223 8.453 8.230 -0.000 0.000 0.437 146 E N 0.096 120.296 120.200 0.000 0.000 2.076 146 E HA -0.076 4.281 4.350 0.012 0.000 0.190 146 E C 2.247 178.855 176.600 0.013 0.000 0.979 146 E CA 1.010 57.414 56.400 0.006 0.000 0.807 146 E CB -0.028 29.673 29.700 0.002 0.000 0.761 146 E HN 0.486 8.846 8.360 -0.000 0.000 0.454 147 L N -0.431 120.801 121.223 0.015 0.000 2.509 147 L HA 0.157 4.504 4.340 0.012 0.000 0.222 147 L C 1.344 178.227 176.870 0.022 0.000 1.123 147 L CA 0.472 55.329 54.840 0.027 0.000 0.856 147 L CB -0.148 41.938 42.059 0.045 0.000 0.985 147 L HN 0.214 8.444 8.230 -0.000 0.000 0.456 148 G N 0.290 109.099 108.800 0.014 0.000 2.160 148 G HA2 -0.282 3.685 3.960 0.012 0.000 0.251 148 G HA3 -0.282 3.685 3.960 0.012 0.000 0.251 148 G C 0.180 175.088 174.900 0.013 0.000 1.008 148 G CA 0.468 45.576 45.100 0.013 0.000 0.724 148 G HN 0.394 8.684 8.290 -0.000 0.000 0.514 149 S N -1.398 114.311 115.700 0.014 0.000 2.567 149 S HA 0.505 4.982 4.470 0.012 0.000 0.270 149 S C -0.418 174.188 174.600 0.011 0.000 1.152 149 S CA 0.232 58.441 58.200 0.015 0.000 0.835 149 S CB 1.509 64.722 63.200 0.021 0.000 1.115 149 S HN 0.760 9.070 8.310 -0.000 0.000 0.459 150 E N 1.523 121.728 120.200 0.009 0.000 2.413 150 E HA 0.383 4.740 4.350 0.012 0.000 0.263 150 E C -1.040 175.565 176.600 0.008 0.000 1.015 150 E CA -0.167 56.234 56.400 0.001 0.000 0.916 150 E CB 0.583 30.285 29.700 0.003 0.000 0.947 150 E HN 0.388 8.748 8.360 -0.000 0.000 0.440 151 V N 6.075 125.980 119.914 -0.014 0.000 2.495 151 V HA 0.288 4.415 4.120 0.012 0.000 0.298 151 V C -2.253 173.833 176.094 -0.014 0.000 1.031 151 V CA -2.058 60.238 62.300 -0.007 0.000 0.871 151 V CB 1.539 33.301 31.823 -0.101 0.000 0.988 151 V HN 0.769 8.959 8.190 -0.000 0.000 0.432 152 P HA 0.050 4.470 4.420 -0.000 0.000 0.259 152 P C 0.655 177.957 177.300 0.004 0.000 1.211 152 P CA -0.042 63.076 63.100 0.031 0.000 0.810 152 P CB 0.557 32.300 31.700 0.073 0.000 0.815 153 L N 5.370 126.575 121.223 -0.030 0.000 2.043 153 L HA -0.186 4.161 4.340 0.012 0.000 0.212 153 L C 1.803 178.676 176.870 0.005 0.000 1.075 153 L CA 1.862 56.672 54.840 -0.051 0.000 0.752 153 L CB -1.201 40.818 42.059 -0.066 0.000 0.891 153 L HN 0.282 8.512 8.230 -0.000 0.000 0.432 154 L N -1.358 119.872 121.223 0.013 0.000 2.083 154 L HA -0.160 4.187 4.340 0.012 0.000 0.209 154 L C 2.435 179.396 176.870 0.150 0.000 1.083 154 L CA 1.925 56.798 54.840 0.055 0.000 0.752 154 L CB -0.733 41.325 42.059 -0.002 0.000 0.899 154 L HN 0.266 8.496 8.230 -0.000 0.000 0.433 155 S N -1.208 114.573 115.700 0.134 0.000 2.383 155 S HA -0.131 4.346 4.470 0.012 0.000 0.227 155 S C 1.935 176.690 174.600 0.259 0.000 1.026 155 S CA 1.340 59.664 58.200 0.206 0.000 0.981 155 S CB -0.373 62.986 63.200 0.265 0.000 0.818 155 S HN 0.360 8.670 8.310 -0.000 0.000 0.472 156 V N 1.314 121.306 119.914 0.131 0.000 2.358 156 V HA -0.137 3.990 4.120 0.012 0.000 0.246 156 V C 1.855 177.984 176.094 0.059 0.000 1.047 156 V CA 1.699 63.989 62.300 -0.018 0.000 1.035 156 V CB -0.777 30.894 31.823 -0.253 0.000 0.658 156 V HN 0.501 8.691 8.190 -0.000 0.000 0.452 157 F N 1.473 121.401 119.950 -0.038 0.000 2.069 157 F HA -0.207 4.325 4.527 0.009 0.000 0.298 157 F C 2.630 178.436 175.800 0.010 0.000 1.113 157 F CA 1.884 59.870 58.000 -0.024 0.000 1.214 157 F CB -0.291 38.694 39.000 -0.024 0.000 0.978 157 F HN -0.057 8.243 8.300 -0.000 0.000 0.474 158 R N -0.325 120.256 120.500 0.136 0.000 2.083 158 R HA -0.186 4.160 4.340 0.012 0.000 0.237 158 R C 2.632 178.905 176.300 -0.044 0.000 1.137 158 R CA 1.572 57.689 56.100 0.029 0.000 0.951 158 R CB -0.974 29.402 30.300 0.127 0.000 0.851 158 R HN 0.374 8.644 8.270 -0.000 0.000 0.434 159 S N 0.903 116.625 115.700 0.037 0.000 2.356 159 S HA -0.140 4.337 4.470 0.012 0.000 0.223 159 S C 1.920 176.508 174.600 -0.021 0.000 1.032 159 S CA 1.140 59.371 58.200 0.052 0.000 1.005 159 S CB -0.179 63.147 63.200 0.210 0.000 0.867 159 S HN 0.231 8.541 8.310 -0.000 0.000 0.449 160 L N 1.597 122.775 121.223 -0.074 0.000 2.046 160 L HA 0.045 4.391 4.340 0.012 0.000 0.208 160 L C 2.091 178.856 176.870 -0.176 0.000 1.077 160 L CA 1.613 56.383 54.840 -0.117 0.000 0.747 160 L CB -0.704 41.271 42.059 -0.139 0.000 0.896 160 L HN 0.323 8.553 8.230 -0.000 0.000 0.432 161 I N -0.617 119.763 120.570 -0.317 0.000 2.226 161 I HA -0.255 3.922 4.170 0.012 0.000 0.245 161 I C 2.352 178.380 176.117 -0.148 0.000 1.100 161 I CA 1.542 62.657 61.300 -0.309 0.000 1.374 161 I CB -1.749 35.937 38.000 -0.523 0.000 1.057 161 I HN 0.291 8.501 8.210 -0.000 0.000 0.413 162 T N 1.413 115.901 114.554 -0.110 0.000 2.746 162 T HA -0.128 4.229 4.350 0.012 0.000 0.267 162 T C 1.753 176.438 174.700 -0.024 0.000 1.039 162 T CA 1.332 63.404 62.100 -0.046 0.000 1.142 162 T CB -0.173 68.679 68.868 -0.027 0.000 0.866 162 T HN 0.284 8.524 8.240 -0.000 0.000 0.444 163 N N 1.246 119.929 118.700 -0.028 0.000 2.106 163 N HA 0.040 4.787 4.740 0.012 0.000 0.188 163 N C 1.939 177.450 175.510 0.002 0.000 1.029 163 N CA 0.860 53.906 53.050 -0.007 0.000 0.848 163 N CB -0.536 37.948 38.487 -0.006 0.000 1.007 163 N HN 0.334 8.714 8.380 -0.000 0.000 0.423 164 L N 0.678 121.888 121.223 -0.022 0.000 2.046 164 L HA -0.187 4.160 4.340 0.012 0.000 0.208 164 L C 2.059 178.958 176.870 0.047 0.000 1.077 164 L CA 1.248 56.084 54.840 -0.007 0.000 0.747 164 L CB -0.441 41.583 42.059 -0.059 0.000 0.896 164 L HN 0.104 8.334 8.230 -0.000 0.000 0.432 165 D N -0.025 120.395 120.400 0.035 0.000 2.117 165 D HA -0.230 4.417 4.640 0.012 0.000 0.197 165 D C 2.341 178.712 176.300 0.117 0.000 0.987 165 D CA 1.148 55.202 54.000 0.090 0.000 0.829 165 D CB 0.078 40.908 40.800 0.050 0.000 0.961 165 D HN 0.052 8.422 8.370 -0.000 0.000 0.460 166 R N -0.234 120.310 120.500 0.072 0.000 2.081 166 R HA -0.076 4.271 4.340 0.012 0.000 0.235 166 R C 2.402 178.754 176.300 0.087 0.000 1.131 166 R CA 0.988 57.127 56.100 0.065 0.000 0.960 166 R CB -0.313 30.011 30.300 0.040 0.000 0.856 166 R HN 0.258 8.528 8.270 -0.000 0.000 0.436 167 L N -0.350 120.931 121.223 0.096 0.000 2.046 167 L HA -0.205 4.141 4.340 0.012 0.000 0.208 167 L C 2.437 179.421 176.870 0.190 0.000 1.077 167 L CA 1.309 56.219 54.840 0.117 0.000 0.747 167 L CB -0.602 41.509 42.059 0.087 0.000 0.896 167 L HN 0.262 8.492 8.230 -0.000 0.000 0.432 168 Y N 0.062 120.401 120.300 0.065 0.000 2.163 168 Y HA -0.209 4.347 4.550 0.011 0.000 0.288 168 Y C 2.365 178.363 175.900 0.163 0.000 1.136 168 Y CA 1.258 59.423 58.100 0.109 0.000 1.147 168 Y CB -0.090 38.403 38.460 0.055 0.000 0.987 168 Y HN -0.057 8.223 8.280 -0.000 0.000 0.509 169 L N 0.531 121.786 121.223 0.053 0.000 2.079 169 L HA -0.253 4.094 4.340 0.012 0.000 0.210 169 L C 2.049 178.891 176.870 -0.046 0.000 1.081 169 L CA 2.150 56.962 54.840 -0.048 0.000 0.752 169 L CB -1.496 40.580 42.059 0.028 0.000 0.896 169 L HN 0.365 8.595 8.230 -0.000 0.000 0.433 170 N N -0.144 118.570 118.700 0.024 0.000 2.270 170 N HA -0.213 4.533 4.740 0.012 0.000 0.181 170 N C 1.762 177.291 175.510 0.033 0.000 1.016 170 N CA 0.712 53.777 53.050 0.024 0.000 0.870 170 N CB -0.194 38.322 38.487 0.049 0.000 0.979 170 N HN 0.194 8.574 8.380 -0.000 0.000 0.431 171 F N 0.960 120.862 119.950 -0.080 0.000 2.171 171 F HA -0.000 4.534 4.527 0.013 0.000 0.300 171 F C 1.633 177.358 175.800 -0.124 0.000 1.090 171 F CA 1.115 59.073 58.000 -0.069 0.000 1.293 171 F CB -0.183 38.805 39.000 -0.019 0.000 1.013 171 F HN 0.043 8.343 8.300 -0.000 0.000 0.486 172 L N 0.180 121.255 121.223 -0.246 0.000 2.131 172 L HA -0.198 4.149 4.340 0.012 0.000 0.210 172 L C 2.501 179.219 176.870 -0.254 0.000 1.092 172 L CA 1.746 56.396 54.840 -0.317 0.000 0.759 172 L CB -0.651 41.236 42.059 -0.287 0.000 0.903 172 L HN 0.184 8.414 8.230 -0.000 0.000 0.435 173 K N -0.166 120.123 120.400 -0.185 0.000 2.168 173 K HA 0.028 4.355 4.320 0.012 0.000 0.201 173 K C 0.280 176.797 176.600 -0.138 0.000 1.049 173 K CA 0.568 56.775 56.287 -0.133 0.000 0.974 173 K CB 0.519 32.970 32.500 -0.082 0.000 0.792 173 K HN 0.208 8.458 8.250 -0.000 0.000 0.463 174 N N 1.704 120.323 118.700 -0.135 0.000 2.841 174 N HA 0.170 4.917 4.740 0.012 0.000 0.257 174 N C -2.524 172.905 175.510 -0.135 0.000 1.396 174 N CA -1.239 51.746 53.050 -0.109 0.000 0.823 174 N CB 1.731 40.189 38.487 -0.048 0.000 1.162 174 N HN 0.050 8.430 8.380 -0.000 0.000 0.503 175 P HA -0.047 4.373 4.420 -0.000 0.000 0.223 175 P C 1.338 178.630 177.300 -0.013 0.000 1.144 175 P CA 1.048 63.917 63.100 -0.385 0.000 0.783 175 P CB 0.330 31.721 31.700 -0.515 0.000 0.771 176 M N -1.813 117.776 119.600 -0.018 0.000 2.514 176 M HA 0.016 4.503 4.480 0.012 0.000 0.258 176 M C 0.996 177.325 176.300 0.048 0.000 1.119 176 M CA 1.010 56.322 55.300 0.020 0.000 1.111 176 M CB -1.171 31.411 32.600 -0.030 0.000 1.390 176 M HN -0.094 8.196 8.290 -0.000 0.000 0.475 177 D N 1.119 121.549 120.400 0.051 0.000 2.149 177 D HA -0.147 4.500 4.640 0.012 0.000 0.198 177 D C 1.852 178.195 176.300 0.071 0.000 0.990 177 D CA 0.919 54.949 54.000 0.051 0.000 0.839 177 D CB -0.246 40.582 40.800 0.046 0.000 0.948 177 D HN 0.259 8.629 8.370 -0.000 0.000 0.460 178 I N 0.583 121.236 120.570 0.138 0.000 2.423 178 I HA -0.204 3.973 4.170 0.012 0.000 0.254 178 I C 1.897 178.036 176.117 0.036 0.000 1.151 178 I CA 0.956 62.330 61.300 0.124 0.000 1.421 178 I CB -0.131 38.002 38.000 0.223 0.000 1.079 178 I HN -0.003 8.207 8.210 -0.000 0.000 0.431 179 L N 0.138 121.383 121.223 0.037 0.000 2.046 179 L HA -0.227 4.119 4.340 0.012 0.000 0.208 179 L C 2.227 179.053 176.870 -0.074 0.000 1.077 179 L CA 1.337 56.147 54.840 -0.050 0.000 0.747 179 L CB -0.959 41.101 42.059 0.002 0.000 0.896 179 L HN 0.312 8.542 8.230 -0.000 0.000 0.432 180 N N 0.113 118.794 118.700 -0.032 0.000 2.244 180 N HA -0.098 4.649 4.740 0.012 0.000 0.183 180 N C 1.947 177.433 175.510 -0.039 0.000 1.016 180 N CA 1.076 54.107 53.050 -0.033 0.000 0.866 180 N CB -0.088 38.389 38.487 -0.016 0.000 0.980 180 N HN 0.343 8.723 8.380 -0.000 0.000 0.430 181 L N 0.294 121.497 121.223 -0.034 0.000 2.093 181 L HA -0.076 4.271 4.340 0.012 0.000 0.208 181 L C 2.228 179.061 176.870 -0.063 0.000 1.085 181 L CA 0.617 55.438 54.840 -0.032 0.000 0.755 181 L CB -0.405 41.648 42.059 -0.009 0.000 0.904 181 L HN -0.058 8.172 8.230 -0.000 0.000 0.435 182 V N -0.072 119.768 119.914 -0.124 0.000 2.307 182 V HA -0.253 3.874 4.120 0.012 0.000 0.245 182 V C 2.639 178.657 176.094 -0.126 0.000 1.045 182 V CA 1.650 63.832 62.300 -0.196 0.000 1.024 182 V CB -0.607 30.914 31.823 -0.503 0.000 0.651 182 V HN 0.407 8.597 8.190 -0.000 0.000 0.449 183 R N 0.289 120.724 120.500 -0.108 0.000 2.096 183 R HA -0.183 4.163 4.340 0.012 0.000 0.240 183 R C 1.919 178.198 176.300 -0.035 0.000 1.139 183 R CA 1.839 57.904 56.100 -0.059 0.000 0.952 183 R CB -0.553 29.719 30.300 -0.046 0.000 0.854 183 R HN 0.548 8.818 8.270 -0.000 0.000 0.436 184 D N -0.090 120.290 120.400 -0.034 0.000 2.348 184 D HA -0.054 4.593 4.640 0.012 0.000 0.216 184 D C 0.638 176.925 176.300 -0.021 0.000 0.970 184 D CA 0.811 54.798 54.000 -0.022 0.000 0.889 184 D CB -0.035 40.754 40.800 -0.019 0.000 0.912 184 D HN 0.229 8.599 8.370 -0.000 0.000 0.524 185 N N 0.107 118.792 118.700 -0.026 0.000 2.241 185 N HA 0.102 4.849 4.740 0.012 0.000 0.238 185 N C 0.132 175.633 175.510 -0.015 0.000 1.244 185 N CA -0.014 53.023 53.050 -0.022 0.000 0.880 185 N CB 1.157 39.632 38.487 -0.021 0.000 1.179 185 N HN 0.312 8.692 8.380 -0.000 0.000 0.513 186 M N -0.969 118.628 119.600 -0.005 0.000 2.578 186 M HA 0.553 5.040 4.480 0.012 0.000 0.321 186 M C -0.630 175.693 176.300 0.038 0.000 1.182 186 M CA -0.638 54.681 55.300 0.031 0.000 0.965 186 M CB 1.591 34.225 32.600 0.057 0.000 1.694 186 M HN -0.255 8.035 8.290 -0.000 0.000 0.461 187 I N 3.563 124.177 120.570 0.073 0.000 2.436 187 I HA 0.254 4.431 4.170 0.012 0.000 0.289 187 I C -0.618 175.590 176.117 0.151 0.000 1.083 187 I CA 0.039 61.377 61.300 0.063 0.000 1.372 187 I CB 0.037 38.046 38.000 0.015 0.000 1.408 187 I HN 0.611 8.821 8.210 -0.000 0.000 0.516 188 L N 4.363 125.644 121.223 0.098 0.000 2.322 188 L HA 0.639 4.986 4.340 0.012 0.000 0.252 188 L C 0.958 177.881 176.870 0.088 0.000 1.055 188 L CA -0.782 54.118 54.840 0.100 0.000 0.849 188 L CB 1.808 43.900 42.059 0.055 0.000 1.446 188 L HN 0.723 8.953 8.230 -0.000 0.000 0.416 189 G N 0.555 109.402 108.800 0.079 0.000 2.148 189 G HA2 -0.179 3.788 3.960 0.012 0.000 0.254 189 G HA3 -0.179 3.788 3.960 0.012 0.000 0.254 189 G C -0.276 174.674 174.900 0.083 0.000 0.981 189 G CA 0.289 45.428 45.100 0.066 0.000 0.670 189 G HN 0.772 9.062 8.290 -0.000 0.000 0.528 190 V N -3.626 116.364 119.914 0.127 0.000 3.074 190 V HA 0.859 4.986 4.120 0.012 0.000 0.314 190 V C 0.482 176.678 176.094 0.170 0.000 1.117 190 V CA -1.409 60.978 62.300 0.145 0.000 1.014 190 V CB 1.782 33.712 31.823 0.180 0.000 1.057 190 V HN 0.443 8.633 8.190 -0.000 0.000 0.438 191 R N 0.971 121.559 120.500 0.147 0.000 2.438 191 R HA 0.690 5.037 4.340 0.012 0.000 0.287 191 R C -0.587 175.812 176.300 0.166 0.000 1.077 191 R CA 0.064 56.240 56.100 0.126 0.000 1.034 191 R CB 1.328 31.678 30.300 0.083 0.000 0.993 191 R HN 1.095 9.365 8.270 -0.000 0.000 0.459 192 V N 0.082 120.047 119.914 0.085 0.000 3.130 192 V HA 0.611 4.738 4.120 0.012 0.000 0.310 192 V C -1.228 174.823 176.094 -0.072 0.000 1.158 192 V CA -1.097 61.201 62.300 -0.003 0.000 1.029 192 V CB 1.989 33.749 31.823 -0.105 0.000 1.057 192 V HN 0.781 8.971 8.190 -0.000 0.000 0.436 193 K N 2.050 122.371 120.400 -0.132 0.000 2.376 193 K HA 0.642 4.969 4.320 0.012 0.000 0.257 193 K C -1.570 174.860 176.600 -0.283 0.000 0.939 193 K CA -0.816 55.360 56.287 -0.185 0.000 0.809 193 K CB 1.736 34.174 32.500 -0.103 0.000 1.121 193 K HN 0.724 8.974 8.250 -0.000 0.000 0.425 194 I N 6.328 126.583 120.570 -0.524 0.000 2.312 194 I HA 0.245 4.422 4.170 0.012 0.000 0.290 194 I C -0.273 175.628 176.117 -0.359 0.000 1.008 194 I CA -0.675 60.310 61.300 -0.526 0.000 1.226 194 I CB 0.631 38.032 38.000 -0.999 0.000 1.371 194 I HN 0.544 8.754 8.210 -0.000 0.000 0.468 199 S N -0.321 115.437 115.700 0.096 0.000 2.562 199 S HA 0.728 5.205 4.470 0.012 0.000 0.274 199 S C -1.473 173.215 174.600 0.147 0.000 1.160 199 S CA -0.417 57.812 58.200 0.050 0.000 0.933 199 S CB 0.782 63.986 63.200 0.005 0.000 1.100 199 S HN 1.620 9.930 8.310 -0.000 0.000 0.468 200 F N 1.307 121.260 119.950 0.005 0.000 2.645 200 F HA 0.868 5.402 4.527 0.013 0.000 0.310 200 F C -0.818 174.983 175.800 0.001 0.000 1.102 200 F CA -0.902 57.099 58.000 0.002 0.000 0.952 200 F CB 1.034 40.033 39.000 -0.002 0.000 1.326 200 F HN 0.487 8.787 8.300 -0.000 0.000 0.456 201 E N 0.407 120.734 120.200 0.211 0.000 2.299 201 E HA 0.790 5.147 4.350 0.012 0.000 0.265 201 E C -0.529 176.189 176.600 0.198 0.000 0.911 201 E CA -1.304 55.160 56.400 0.106 0.000 0.789 201 E CB 2.440 32.177 29.700 0.061 0.000 1.246 201 E HN 1.130 9.490 8.360 -0.000 0.000 0.427 202 G N 0.758 109.634 108.800 0.127 0.000 2.322 202 G HA2 0.235 4.202 3.960 0.012 0.000 0.295 202 G HA3 0.235 4.202 3.960 0.012 0.000 0.295 202 G C -1.578 173.374 174.900 0.087 0.000 1.369 202 G CA -0.899 44.274 45.100 0.122 0.000 0.821 202 G HN 0.282 8.572 8.290 -0.000 0.000 0.536 203 I N 1.507 122.121 120.570 0.073 0.000 2.371 203 I HA 0.469 4.646 4.170 0.012 0.000 0.290 203 I C 1.122 177.271 176.117 0.054 0.000 1.028 203 I CA -0.513 60.826 61.300 0.066 0.000 1.345 203 I CB 0.963 38.994 38.000 0.053 0.000 1.407 203 I HN 0.711 8.921 8.210 -0.000 0.000 0.501 204 A N 7.011 129.868 122.820 0.062 0.000 2.410 204 A HA 0.212 4.539 4.320 0.012 0.000 0.292 204 A C 1.126 178.726 177.584 0.027 0.000 1.232 204 A CA -0.293 51.761 52.037 0.027 0.000 0.893 204 A CB -0.031 19.005 19.000 0.059 0.000 1.131 204 A HN 0.734 8.884 8.150 -0.000 0.000 0.530 205 E N 1.201 121.402 120.200 0.001 0.000 2.060 205 E HA 0.048 4.405 4.350 0.012 0.000 0.189 205 E C 0.090 176.687 176.600 -0.005 0.000 0.974 205 E CA 1.106 57.508 56.400 0.004 0.000 0.808 205 E CB 0.196 29.896 29.700 0.000 0.000 0.768 205 E HN 0.880 9.240 8.360 -0.000 0.000 0.453 206 D N -1.472 118.911 120.400 -0.028 0.000 2.827 206 D HA 0.189 4.836 4.640 0.012 0.000 0.336 206 D C -1.546 174.721 176.300 -0.055 0.000 1.374 206 D CA -0.578 53.406 54.000 -0.027 0.000 0.794 206 D CB 0.496 41.289 40.800 -0.013 0.000 1.364 206 D HN -0.032 8.338 8.370 -0.000 0.000 0.464 207 I N -0.783 119.770 120.570 -0.029 0.000 2.603 207 I HA 0.697 4.874 4.170 0.012 0.000 0.300 207 I C -0.292 175.847 176.117 0.037 0.000 1.017 207 I CA -0.860 60.440 61.300 0.001 0.000 1.098 207 I CB 1.729 39.764 38.000 0.058 0.000 1.279 207 I HN 0.335 8.545 8.210 -0.000 0.000 0.437 208 D N 3.010 123.461 120.400 0.085 0.000 2.507 208 D HA 0.057 4.704 4.640 0.012 0.000 0.280 208 D C 0.625 176.977 176.300 0.085 0.000 1.219 208 D CA -0.259 53.794 54.000 0.088 0.000 1.085 208 D CB 0.213 41.087 40.800 0.125 0.000 1.134 208 D HN 0.722 9.092 8.370 -0.000 0.000 0.583 209 D N -1.255 119.157 120.400 0.019 0.000 2.378 209 D HA -0.130 4.517 4.640 0.012 0.000 0.227 209 D C 0.797 176.935 176.300 -0.270 0.000 1.012 209 D CA 0.362 54.281 54.000 -0.135 0.000 0.905 209 D CB -0.409 40.248 40.800 -0.239 0.000 0.895 209 D HN 0.258 8.628 8.370 -0.000 0.000 0.532 210 F N -0.089 119.947 119.950 0.143 0.000 2.678 210 F HA 0.368 4.902 4.527 0.011 0.000 0.305 210 F C 2.003 177.970 175.800 0.280 0.000 1.090 210 F CA 0.127 58.235 58.000 0.180 0.000 1.272 210 F CB 0.914 40.001 39.000 0.145 0.000 1.060 210 F HN 0.156 8.456 8.300 -0.000 0.000 0.576 211 G N 0.863 109.932 108.800 0.449 0.000 2.176 211 G HA2 -0.300 3.667 3.960 0.012 0.000 0.253 211 G HA3 -0.300 3.667 3.960 0.012 0.000 0.253 211 G C 0.552 175.866 174.900 0.689 0.000 0.979 211 G CA -0.417 45.071 45.100 0.647 0.000 0.641 211 G HN 0.301 8.591 8.290 -0.000 0.000 0.530 212 R N -0.414 120.363 120.500 0.462 0.000 2.543 212 R HA 0.449 4.796 4.340 0.012 0.000 0.277 212 R C 0.259 176.572 176.300 0.021 0.000 1.074 212 R CA -0.618 55.678 56.100 0.327 0.000 1.076 212 R CB 0.788 31.224 30.300 0.227 0.000 0.993 212 R HN 0.205 8.475 8.270 -0.000 0.000 0.459 213 L N 4.557 125.509 121.223 -0.451 0.000 2.319 213 L HA 0.193 4.540 4.340 0.012 0.000 0.280 213 L C -0.547 176.126 176.870 -0.328 0.000 1.099 213 L CA 0.147 54.540 54.840 -0.744 0.000 0.828 213 L CB 0.627 41.722 42.059 -1.606 0.000 1.150 213 L HN 0.426 8.656 8.230 -0.000 0.000 0.442 214 I N 7.188 127.645 120.570 -0.189 0.000 2.325 214 I HA 0.286 4.463 4.170 0.012 0.000 0.291 214 I C 0.088 176.169 176.117 -0.061 0.000 1.019 214 I CA -0.102 61.149 61.300 -0.083 0.000 1.302 214 I CB 0.617 38.593 38.000 -0.040 0.000 1.401 214 I HN 0.518 8.728 8.210 -0.000 0.000 0.485 215 I N 6.331 126.893 120.570 -0.013 0.000 2.465 215 I HA 0.394 4.571 4.170 0.012 0.000 0.291 215 I C 0.328 176.467 176.117 0.037 0.000 1.014 215 I CA -0.791 60.535 61.300 0.043 0.000 1.093 215 I CB 2.118 40.222 38.000 0.173 0.000 1.267 215 I HN 0.479 8.689 8.210 -0.000 0.000 0.431 216 R N 6.304 126.826 120.500 0.037 0.000 2.215 216 R HA 0.499 4.846 4.340 0.012 0.000 0.336 216 R C -1.189 175.135 176.300 0.040 0.000 0.996 216 R CA -0.723 55.390 56.100 0.022 0.000 0.847 216 R CB 0.687 30.997 30.300 0.017 0.000 1.127 216 R HN 0.460 8.730 8.270 -0.000 0.000 0.465 217 L N 3.178 124.415 121.223 0.023 0.000 2.466 217 L HA 0.077 4.424 4.340 0.012 0.000 0.257 217 L C 1.307 178.193 176.870 0.026 0.000 1.189 217 L CA 0.346 55.210 54.840 0.039 0.000 0.813 217 L CB 0.785 42.843 42.059 -0.001 0.000 1.118 217 L HN 0.632 8.862 8.230 -0.000 0.000 0.471 218 D N -0.491 119.930 120.400 0.034 0.000 2.221 218 D HA -0.158 4.489 4.640 0.012 0.000 0.204 218 D C 2.005 178.312 176.300 0.013 0.000 0.982 218 D CA 1.582 55.597 54.000 0.025 0.000 0.857 218 D CB 0.013 40.830 40.800 0.028 0.000 0.934 218 D HN 0.692 9.062 8.370 -0.000 0.000 0.475 219 S N -1.122 114.581 115.700 0.006 0.000 2.474 219 S HA 0.093 4.569 4.470 0.012 0.000 0.235 219 S C 1.845 176.441 174.600 -0.007 0.000 0.997 219 S CA 1.188 59.386 58.200 -0.003 0.000 0.949 219 S CB 0.230 63.423 63.200 -0.012 0.000 0.766 219 S HN 0.354 8.664 8.310 -0.000 0.000 0.517 220 G N 0.734 109.530 108.800 -0.007 0.000 2.238 220 G HA2 -0.247 3.720 3.960 0.012 0.000 0.217 220 G HA3 -0.247 3.720 3.960 0.012 0.000 0.217 220 G C -0.137 174.751 174.900 -0.020 0.000 0.996 220 G CA 0.062 45.157 45.100 -0.009 0.000 0.632 220 G HN 0.717 9.007 8.290 -0.000 0.000 0.503 221 E N 0.755 120.935 120.200 -0.033 0.000 2.413 221 E HA 0.376 4.733 4.350 0.012 0.000 0.263 221 E C -0.192 176.371 176.600 -0.062 0.000 1.015 221 E CA -0.045 56.321 56.400 -0.056 0.000 0.916 221 E CB 0.695 30.345 29.700 -0.084 0.000 0.947 221 E HN 0.175 8.535 8.360 -0.000 0.000 0.440 222 V N 5.329 125.206 119.914 -0.063 0.000 2.417 222 V HA 0.331 4.457 4.120 0.012 0.000 0.291 222 V C -0.153 175.888 176.094 -0.089 0.000 1.024 222 V CA -0.555 61.711 62.300 -0.057 0.000 0.861 222 V CB 1.556 33.361 31.823 -0.031 0.000 0.985 222 V HN 0.637 8.827 8.190 -0.000 0.000 0.436 223 K N 3.743 124.080 120.400 -0.104 0.000 2.318 223 K HA 0.642 4.969 4.320 0.012 0.000 0.249 223 K C -1.010 175.565 176.600 -0.042 0.000 0.942 223 K CA -0.950 55.258 56.287 -0.132 0.000 0.808 223 K CB 2.634 34.926 32.500 -0.347 0.000 1.189 223 K HN 0.520 8.770 8.250 -0.000 0.000 0.428 224 K N 1.809 122.198 120.400 -0.019 0.000 2.307 224 K HA 0.343 4.670 4.320 0.012 0.000 0.263 224 K C -0.836 175.790 176.600 0.043 0.000 0.973 224 K CA -0.755 55.536 56.287 0.008 0.000 0.846 224 K CB 1.815 34.331 32.500 0.028 0.000 1.100 224 K HN 0.192 8.442 8.250 -0.000 0.000 0.438 225 V N 5.050 124.968 119.914 0.007 0.000 2.394 225 V HA 0.374 4.501 4.120 0.012 0.000 0.282 225 V C 0.212 176.450 176.094 0.240 0.000 1.031 225 V CA -0.918 61.427 62.300 0.076 0.000 0.881 225 V CB 0.744 32.520 31.823 -0.078 0.000 0.982 225 V HN 0.672 8.862 8.190 -0.000 0.000 0.451 226 I N 2.172 122.940 120.570 0.329 0.000 2.412 226 I HA 0.595 4.772 4.170 0.012 0.000 0.296 226 I C -0.604 175.796 176.117 0.472 0.000 0.987 226 I CA -0.768 60.772 61.300 0.401 0.000 1.180 226 I CB 1.129 39.250 38.000 0.201 0.000 1.340 226 I HN 0.565 8.775 8.210 -0.000 0.000 0.455 227 Y N 5.156 125.643 120.300 0.312 0.000 2.298 227 Y HA 0.608 5.166 4.550 0.012 0.000 0.329 227 Y C 1.125 177.021 175.900 -0.007 0.000 1.293 227 Y CA 1.284 59.410 58.100 0.043 0.000 1.388 227 Y CB 1.428 39.647 38.460 -0.401 0.000 1.309 227 Y HN 0.956 9.236 8.280 -0.000 0.000 0.544 228 G N 2.130 110.380 108.800 -0.917 0.000 3.180 228 G HA2 -0.222 3.745 3.960 0.012 0.000 0.197 228 G HA3 -0.222 3.745 3.960 0.012 0.000 0.197 228 G C 0.350 174.978 174.900 -0.452 0.000 1.149 228 G CA 0.290 45.060 45.100 -0.551 0.000 0.847 228 G HN 0.737 9.027 8.290 -0.000 0.000 0.469 229 D N 0.622 120.836 120.400 -0.309 0.000 2.469 229 D HA 0.352 4.999 4.640 0.012 0.000 0.215 229 D C 0.881 177.099 176.300 -0.137 0.000 1.154 229 D CA 0.804 54.697 54.000 -0.178 0.000 0.832 229 D CB 0.471 41.221 40.800 -0.085 0.000 1.008 229 D HN 1.188 9.558 8.370 -0.000 0.000 0.506 230 V N -3.183 116.623 119.914 -0.180 0.000 3.158 230 V HA 0.833 4.960 4.120 0.012 0.000 0.311 230 V C -0.676 175.417 176.094 -0.001 0.000 1.181 230 V CA -0.907 61.368 62.300 -0.041 0.000 1.054 230 V CB 1.683 33.553 31.823 0.079 0.000 1.085 230 V HN 0.050 8.240 8.190 -0.000 0.000 0.446 231 S N 0.556 116.290 115.700 0.056 0.000 2.548 231 S HA 0.752 5.229 4.470 0.012 0.000 0.286 231 S C -1.259 173.382 174.600 0.069 0.000 1.098 231 S CA -0.660 57.597 58.200 0.096 0.000 0.930 231 S CB 1.551 64.774 63.200 0.037 0.000 1.070 231 S HN 1.155 9.465 8.310 -0.000 0.000 0.480 232 L N 4.433 125.701 121.223 0.075 0.000 2.307 232 L HA 0.738 5.084 4.340 0.012 0.000 0.284 232 L C -0.728 176.062 176.870 -0.133 0.000 1.023 232 L CA -0.583 54.235 54.840 -0.037 0.000 0.810 232 L CB 0.887 42.952 42.059 0.010 0.000 1.231 232 L HN 0.620 8.850 8.230 -0.000 0.000 0.423 233 R N 4.378 124.773 120.500 -0.176 0.000 2.513 233 R HA 0.401 4.748 4.340 0.012 0.000 0.301 233 R C -1.379 174.837 176.300 -0.141 0.000 0.968 233 R CA -0.596 55.433 56.100 -0.118 0.000 0.872 233 R CB 1.772 32.047 30.300 -0.042 0.000 1.177 233 R HN 0.434 8.704 8.270 -0.000 0.000 0.444 234 F N 2.623 122.619 119.950 0.076 0.000 2.399 234 F HA 0.356 4.892 4.527 0.015 0.000 0.342 234 F C 1.071 176.877 175.800 0.010 0.000 1.106 234 F CA -0.167 57.877 58.000 0.072 0.000 1.196 234 F CB 0.646 39.736 39.000 0.149 0.000 1.163 234 F HN 0.172 8.472 8.300 -0.000 0.000 0.547 235 L N 0.000 121.345 121.223 0.203 0.000 2.949 235 L HA 0.000 4.347 4.340 0.012 0.000 0.249 235 L CA 0.000 54.889 54.840 0.082 0.000 0.813 235 L CB 0.000 42.095 42.059 0.059 0.000 0.961 235 L HN 0.000 8.230 8.230 -0.000 0.000 0.502