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 3g59_1_A DATA FIRST_RESID -3 DATA SEQUENCE GAMVMRLGDA AELCYNLTSS YLQIAAESDS IIAQTQRAIN TTKSILINET DATA SEQUENCE FPKWSPLNGE ISFSYNGGKD CQVLLLLYLS CLWEYYIXXX XXXXXXXXXX DATA SEQUENCE XXXXXXLPTV FIDHDDTFKT LENFIEETSL RYSLSLYESD RDKCETMAEA DATA SEQUENCE FETFLQVFPE TKAIVIGIRH TDPFGEHLKP IQKTDANWPD FYRLQPLLHW DATA SEQUENCE NLANIWSFLL YSNEPICELY RYGFTSLGNV EETLPNPHLR KDKNSTPLKL DATA SEQUENCE NFEWEIENRY KHNEVTKAEP IPIADEDLVK IENLHEDYYP GWYLVDDKLE DATA SEQUENCE RAGRIKKK 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 -3 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 -3 G HA3 0.000 3.947 3.960 -0.021 0.000 0.244 -3 G C 0.000 174.877 174.900 -0.038 0.000 0.946 -3 G CA 0.000 45.083 45.100 -0.028 0.000 0.502 -2 A N 3.013 125.804 122.820 -0.048 0.000 2.470 -2 A HA 0.532 4.840 4.320 -0.021 0.000 0.251 -2 A C 1.535 179.064 177.584 -0.091 0.000 1.245 -2 A CA 0.651 52.649 52.037 -0.065 0.000 0.932 -2 A CB -0.587 18.376 19.000 -0.062 0.000 1.037 -2 A HN 1.482 9.632 8.150 -0.000 0.000 0.522 -1 M N -0.452 119.098 119.600 -0.083 0.000 2.169 -1 M HA -0.158 4.310 4.480 -0.021 0.000 0.196 -1 M C -0.589 175.634 176.300 -0.129 0.000 0.355 -1 M CA 0.152 55.391 55.300 -0.101 0.000 0.396 -1 M CB -2.091 30.433 32.600 -0.127 0.000 1.125 -1 M HN 0.020 8.310 8.290 -0.000 0.000 0.939 0 V N 1.473 121.327 119.914 -0.100 0.000 2.530 0 V HA 0.414 4.521 4.120 -0.021 0.000 0.282 0 V C 0.577 176.628 176.094 -0.072 0.000 1.048 0 V CA 0.148 62.387 62.300 -0.101 0.000 0.997 0 V CB 1.561 33.341 31.823 -0.073 0.000 0.987 0 V HN 0.465 8.655 8.190 -0.000 0.000 0.477 1 M N 4.514 124.070 119.600 -0.074 0.000 2.456 1 M HA 0.523 4.991 4.480 -0.021 0.000 0.324 1 M C 0.031 176.328 176.300 -0.006 0.000 1.124 1 M CA -0.598 54.686 55.300 -0.027 0.000 0.959 1 M CB 2.258 34.855 32.600 -0.005 0.000 1.692 1 M HN 0.515 8.805 8.290 -0.000 0.000 0.444 2 R N 0.751 121.256 120.500 0.009 0.000 2.694 2 R HA 0.059 4.387 4.340 -0.021 0.000 0.268 2 R C 1.087 177.413 176.300 0.042 0.000 1.061 2 R CA -0.382 55.731 56.100 0.022 0.000 1.133 2 R CB 0.492 30.808 30.300 0.028 0.000 1.020 2 R HN 0.569 8.839 8.270 -0.000 0.000 0.475 3 L N 2.808 124.061 121.223 0.049 0.000 2.013 3 L HA -0.133 4.194 4.340 -0.021 0.000 0.212 3 L C 2.020 178.951 176.870 0.102 0.000 1.073 3 L CA 2.513 57.394 54.840 0.070 0.000 0.753 3 L CB -1.030 41.062 42.059 0.055 0.000 0.890 3 L HN 0.899 9.129 8.230 -0.000 0.000 0.432 4 G N -1.371 107.502 108.800 0.122 0.000 2.440 4 G HA2 -0.284 3.663 3.960 -0.021 0.000 0.218 4 G HA3 -0.284 3.663 3.960 -0.021 0.000 0.218 4 G C 1.301 176.261 174.900 0.101 0.000 1.154 4 G CA 0.889 46.121 45.100 0.220 0.000 0.767 4 G HN 0.433 8.723 8.290 -0.000 0.000 0.552 5 D N 0.863 121.285 120.400 0.035 0.000 2.144 5 D HA 0.008 4.636 4.640 -0.021 0.000 0.200 5 D C 2.822 179.089 176.300 -0.055 0.000 0.978 5 D CA 1.117 55.090 54.000 -0.046 0.000 0.833 5 D CB -0.413 40.383 40.800 -0.006 0.000 0.961 5 D HN 0.298 8.668 8.370 -0.000 0.000 0.470 6 A N 1.129 123.966 122.820 0.027 0.000 1.877 6 A HA -0.064 4.243 4.320 -0.021 0.000 0.216 6 A C 2.327 179.933 177.584 0.037 0.000 1.186 6 A CA 2.272 54.363 52.037 0.091 0.000 0.620 6 A CB -0.765 18.351 19.000 0.193 0.000 0.822 6 A HN 0.232 8.382 8.150 -0.000 0.000 0.443 7 A N -0.391 122.454 122.820 0.043 0.000 1.877 7 A HA -0.205 4.102 4.320 -0.021 0.000 0.216 7 A C 2.045 179.537 177.584 -0.153 0.000 1.186 7 A CA 1.918 54.007 52.037 0.087 0.000 0.620 7 A CB -0.598 18.586 19.000 0.306 0.000 0.822 7 A HN 0.681 8.831 8.150 -0.000 0.000 0.443 8 E N -0.578 119.235 120.200 -0.646 0.000 2.077 8 E HA -0.207 4.131 4.350 -0.021 0.000 0.193 8 E C 1.917 178.208 176.600 -0.516 0.000 0.989 8 E CA 1.357 56.980 56.400 -1.296 0.000 0.800 8 E CB -0.222 28.527 29.700 -1.585 0.000 0.746 8 E HN 0.469 8.829 8.360 -0.000 0.000 0.452 9 L N 0.702 121.760 121.223 -0.276 0.000 2.012 9 L HA -0.194 4.133 4.340 -0.021 0.000 0.210 9 L C 2.263 179.039 176.870 -0.157 0.000 1.073 9 L CA 1.845 56.593 54.840 -0.152 0.000 0.748 9 L CB -0.805 41.224 42.059 -0.050 0.000 0.891 9 L HN 0.299 8.529 8.230 -0.000 0.000 0.431 10 C N -1.200 118.057 119.300 -0.072 0.000 2.429 10 C HA -0.167 4.281 4.460 -0.021 0.000 0.277 10 C C 2.589 177.598 174.990 0.032 0.000 1.262 10 C CA 0.834 59.846 59.018 -0.010 0.000 1.733 10 C CB -1.221 26.549 27.740 0.051 0.000 2.010 10 C HN 0.738 8.968 8.230 -0.000 0.000 0.483 11 Y N 2.846 123.107 120.300 -0.065 0.000 2.165 11 Y HA -0.182 4.355 4.550 -0.020 0.000 0.286 11 Y C 2.264 178.156 175.900 -0.014 0.000 1.155 11 Y CA 1.997 60.107 58.100 0.016 0.000 1.164 11 Y CB -0.543 37.948 38.460 0.051 0.000 0.978 11 Y HN 0.330 8.610 8.280 -0.000 0.000 0.513 12 N N 0.641 119.280 118.700 -0.101 0.000 2.142 12 N HA -0.145 4.583 4.740 -0.021 0.000 0.186 12 N C 1.806 177.133 175.510 -0.304 0.000 1.023 12 N CA 1.874 54.836 53.050 -0.147 0.000 0.852 12 N CB -0.732 37.755 38.487 0.000 0.000 0.998 12 N HN 0.568 8.948 8.380 -0.000 0.000 0.424 13 L N -0.793 120.089 121.223 -0.568 0.000 2.156 13 L HA 0.147 4.474 4.340 -0.021 0.000 0.208 13 L C 1.915 178.763 176.870 -0.037 0.000 1.095 13 L CA 1.442 55.846 54.840 -0.728 0.000 0.770 13 L CB -1.378 40.098 42.059 -0.971 0.000 0.914 13 L HN -0.119 8.111 8.230 -0.000 0.000 0.439 14 T N -0.369 114.207 114.554 0.037 0.000 2.812 14 T HA -0.083 4.254 4.350 -0.021 0.000 0.264 14 T C 2.017 176.787 174.700 0.118 0.000 1.042 14 T CA 1.603 63.850 62.100 0.244 0.000 1.140 14 T CB -0.329 68.650 68.868 0.185 0.000 0.870 14 T HN 0.463 8.703 8.240 -0.000 0.000 0.445 15 S N 1.285 116.919 115.700 -0.111 0.000 2.368 15 S HA -0.116 4.342 4.470 -0.021 0.000 0.225 15 S C 2.367 176.987 174.600 0.033 0.000 1.030 15 S CA 1.199 59.323 58.200 -0.126 0.000 0.999 15 S CB -0.503 62.488 63.200 -0.348 0.000 0.844 15 S HN 0.482 8.792 8.310 -0.000 0.000 0.459 16 S N 0.072 115.836 115.700 0.106 0.000 2.368 16 S HA -0.152 4.306 4.470 -0.021 0.000 0.225 16 S C 1.674 176.378 174.600 0.173 0.000 1.030 16 S CA 1.115 59.456 58.200 0.233 0.000 0.999 16 S CB -0.514 62.963 63.200 0.463 0.000 0.844 16 S HN 0.612 8.922 8.310 -0.000 0.000 0.459 17 Y N 1.724 122.058 120.300 0.057 0.000 2.165 17 Y HA -0.053 4.484 4.550 -0.022 0.000 0.286 17 Y C 1.948 177.792 175.900 -0.093 0.000 1.155 17 Y CA 1.787 59.779 58.100 -0.180 0.000 1.164 17 Y CB -0.273 38.236 38.460 0.082 0.000 0.978 17 Y HN 0.239 8.519 8.280 -0.000 0.000 0.513 18 L N -0.147 121.176 121.223 0.168 0.000 2.265 18 L HA -0.238 4.089 4.340 -0.021 0.000 0.215 18 L C 1.886 178.741 176.870 -0.026 0.000 1.117 18 L CA 1.294 56.181 54.840 0.077 0.000 0.782 18 L CB -0.382 41.726 42.059 0.083 0.000 0.914 18 L HN 0.352 8.582 8.230 -0.000 0.000 0.441 19 Q N -0.481 119.297 119.800 -0.036 0.000 2.392 19 Q HA 0.171 4.498 4.340 -0.021 0.000 0.203 19 Q C 0.396 176.334 176.000 -0.103 0.000 0.917 19 Q CA -0.187 55.592 55.803 -0.040 0.000 0.939 19 Q CB 0.462 29.212 28.738 0.020 0.000 1.063 19 Q HN 0.449 8.719 8.270 -0.000 0.000 0.516 20 I N 1.533 121.966 120.570 -0.228 0.000 2.710 20 I HA -0.068 4.089 4.170 -0.021 0.000 0.286 20 I C 0.249 176.166 176.117 -0.334 0.000 1.181 20 I CA -0.297 60.782 61.300 -0.367 0.000 1.430 20 I CB 0.609 38.185 38.000 -0.707 0.000 1.367 20 I HN 0.045 8.255 8.210 -0.000 0.000 0.577 21 A N 6.211 128.835 122.820 -0.328 0.000 2.302 21 A HA 0.742 5.050 4.320 -0.021 0.000 0.295 21 A C -0.047 177.332 177.584 -0.342 0.000 1.235 21 A CA -0.191 51.692 52.037 -0.256 0.000 0.876 21 A CB 0.191 19.088 19.000 -0.172 0.000 1.133 21 A HN 0.846 8.996 8.150 -0.000 0.000 0.533 22 A N 2.900 125.560 122.820 -0.267 0.000 2.515 22 A HA 0.656 4.963 4.320 -0.021 0.000 0.298 22 A C -0.389 177.096 177.584 -0.164 0.000 1.059 22 A CA -0.671 51.211 52.037 -0.258 0.000 0.698 22 A CB 0.782 19.608 19.000 -0.288 0.000 1.289 22 A HN 0.795 8.945 8.150 -0.000 0.000 0.404 23 E N 0.627 120.743 120.200 -0.139 0.000 2.398 23 E HA 0.159 4.497 4.350 -0.021 0.000 0.263 23 E C 1.291 177.840 176.600 -0.084 0.000 1.046 23 E CA 0.505 56.846 56.400 -0.097 0.000 0.908 23 E CB 0.812 30.462 29.700 -0.083 0.000 0.963 23 E HN 0.805 9.165 8.360 -0.000 0.000 0.431 24 S N 2.096 117.755 115.700 -0.067 0.000 2.400 24 S HA -0.201 4.257 4.470 -0.021 0.000 0.232 24 S C 1.110 175.678 174.600 -0.053 0.000 1.025 24 S CA 1.668 59.833 58.200 -0.058 0.000 0.993 24 S CB -0.122 63.049 63.200 -0.048 0.000 0.808 24 S HN 0.655 8.965 8.310 -0.000 0.000 0.478 25 D N 1.932 122.302 120.400 -0.050 0.000 2.336 25 D HA 0.138 4.766 4.640 -0.021 0.000 0.228 25 D C 0.609 176.882 176.300 -0.044 0.000 1.120 25 D CA 0.176 54.150 54.000 -0.043 0.000 0.839 25 D CB -0.379 40.399 40.800 -0.037 0.000 0.932 25 D HN 0.523 8.893 8.370 -0.000 0.000 0.509 26 S N -0.807 114.861 115.700 -0.053 0.000 2.646 26 S HA 0.368 4.825 4.470 -0.021 0.000 0.276 26 S C 1.448 176.032 174.600 -0.027 0.000 1.222 26 S CA -0.867 57.302 58.200 -0.052 0.000 1.014 26 S CB 1.249 64.400 63.200 -0.082 0.000 0.991 26 S HN 0.041 8.351 8.310 -0.000 0.000 0.533 27 I N 0.912 121.483 120.570 0.002 0.000 2.208 27 I HA -0.187 3.970 4.170 -0.021 0.000 0.245 27 I C 2.131 178.306 176.117 0.097 0.000 1.097 27 I CA 1.420 62.761 61.300 0.069 0.000 1.363 27 I CB -0.426 37.657 38.000 0.138 0.000 1.051 27 I HN 0.671 8.881 8.210 -0.000 0.000 0.413 28 I N 0.727 121.343 120.570 0.076 0.000 2.163 28 I HA -0.316 3.842 4.170 -0.021 0.000 0.243 28 I C 2.800 178.924 176.117 0.013 0.000 1.085 28 I CA 1.486 62.825 61.300 0.064 0.000 1.347 28 I CB -0.467 37.435 38.000 -0.162 0.000 1.044 28 I HN 0.194 8.404 8.210 -0.000 0.000 0.408 29 A N -0.136 122.651 122.820 -0.055 0.000 1.908 29 A HA -0.307 4.000 4.320 -0.021 0.000 0.218 29 A C 2.322 179.878 177.584 -0.047 0.000 1.181 29 A CA 1.970 53.970 52.037 -0.061 0.000 0.627 29 A CB -0.774 18.181 19.000 -0.075 0.000 0.818 29 A HN 0.528 8.678 8.150 -0.000 0.000 0.445 30 Q N -0.835 118.937 119.800 -0.047 0.000 2.084 30 Q HA -0.168 4.160 4.340 -0.021 0.000 0.202 30 Q C 2.012 177.916 176.000 -0.159 0.000 0.978 30 Q CA 2.102 57.855 55.803 -0.083 0.000 0.844 30 Q CB -0.256 28.443 28.738 -0.064 0.000 0.898 30 Q HN 0.645 8.915 8.270 -0.000 0.000 0.426 31 T N 0.862 115.346 114.554 -0.117 0.000 2.777 31 T HA -0.166 4.171 4.350 -0.021 0.000 0.266 31 T C 1.700 176.280 174.700 -0.200 0.000 1.040 31 T CA 1.482 63.423 62.100 -0.265 0.000 1.141 31 T CB -0.178 68.672 68.868 -0.029 0.000 0.868 31 T HN 0.404 8.644 8.240 -0.000 0.000 0.444 32 Q N 0.727 120.562 119.800 0.059 0.000 2.061 32 Q HA -0.099 4.229 4.340 -0.021 0.000 0.204 32 Q C 2.642 178.614 176.000 -0.046 0.000 0.984 32 Q CA 1.332 57.175 55.803 0.066 0.000 0.846 32 Q CB -0.207 28.566 28.738 0.058 0.000 0.902 32 Q HN 0.469 8.739 8.270 -0.000 0.000 0.421 33 R N 0.250 120.699 120.500 -0.085 0.000 2.091 33 R HA -0.139 4.189 4.340 -0.021 0.000 0.238 33 R C 2.339 178.564 176.300 -0.125 0.000 1.136 33 R CA 1.221 57.264 56.100 -0.095 0.000 0.959 33 R CB -0.481 29.763 30.300 -0.094 0.000 0.856 33 R HN 0.234 8.504 8.270 -0.000 0.000 0.437 34 A N 1.312 123.983 122.820 -0.249 0.000 1.902 34 A HA -0.155 4.152 4.320 -0.021 0.000 0.217 34 A C 2.178 179.752 177.584 -0.016 0.000 1.181 34 A CA 1.282 53.131 52.037 -0.312 0.000 0.623 34 A CB -0.491 17.762 19.000 -1.245 0.000 0.818 34 A HN 0.186 8.336 8.150 -0.000 0.000 0.443 35 I N 0.155 120.664 120.570 -0.102 0.000 2.179 35 I HA -0.284 3.873 4.170 -0.021 0.000 0.242 35 I C 2.175 178.349 176.117 0.095 0.000 1.088 35 I CA 1.244 62.609 61.300 0.108 0.000 1.357 35 I CB -0.462 37.527 38.000 -0.018 0.000 1.051 35 I HN 0.316 8.526 8.210 -0.000 0.000 0.409 36 N N 0.371 119.091 118.700 0.032 0.000 2.104 36 N HA -0.159 4.569 4.740 -0.021 0.000 0.190 36 N C 1.862 177.379 175.510 0.012 0.000 1.024 36 N CA 1.956 55.018 53.050 0.020 0.000 0.853 36 N CB -0.712 37.771 38.487 -0.007 0.000 1.008 36 N HN 0.330 8.710 8.380 -0.000 0.000 0.424 37 T N 0.577 115.122 114.554 -0.016 0.000 2.708 37 T HA -0.091 4.246 4.350 -0.021 0.000 0.266 37 T C 1.944 176.658 174.700 0.023 0.000 1.037 37 T CA 1.634 63.672 62.100 -0.103 0.000 1.146 37 T CB -0.525 68.079 68.868 -0.439 0.000 0.865 37 T HN 0.309 8.549 8.240 -0.000 0.000 0.435 38 T N 1.888 116.581 114.554 0.231 0.000 2.708 38 T HA -0.076 4.261 4.350 -0.021 0.000 0.266 38 T C 2.043 176.791 174.700 0.080 0.000 1.037 38 T CA 1.138 63.384 62.100 0.243 0.000 1.146 38 T CB -0.188 68.874 68.868 0.324 0.000 0.865 38 T HN 0.411 8.651 8.240 -0.000 0.000 0.435 39 K N 0.880 121.320 120.400 0.066 0.000 2.063 39 K HA -0.057 4.250 4.320 -0.021 0.000 0.208 39 K C 2.785 179.373 176.600 -0.020 0.000 1.048 39 K CA 1.437 57.738 56.287 0.024 0.000 0.928 39 K CB -0.193 32.340 32.500 0.055 0.000 0.713 39 K HN 0.149 8.399 8.250 -0.000 0.000 0.442 40 S N 1.216 116.910 115.700 -0.010 0.000 2.356 40 S HA -0.114 4.343 4.470 -0.021 0.000 0.223 40 S C 1.972 176.538 174.600 -0.057 0.000 1.032 40 S CA 1.143 59.326 58.200 -0.028 0.000 1.005 40 S CB -0.246 62.938 63.200 -0.026 0.000 0.867 40 S HN 0.198 8.508 8.310 -0.000 0.000 0.449 41 I N 1.252 121.792 120.570 -0.049 0.000 2.208 41 I HA -0.217 3.941 4.170 -0.021 0.000 0.245 41 I C 2.063 178.094 176.117 -0.144 0.000 1.097 41 I CA 1.182 62.448 61.300 -0.057 0.000 1.363 41 I CB -0.353 37.642 38.000 -0.009 0.000 1.051 41 I HN 0.234 8.444 8.210 -0.000 0.000 0.413 42 L N 0.001 121.082 121.223 -0.236 0.000 2.023 42 L HA -0.147 4.180 4.340 -0.021 0.000 0.205 42 L C 2.477 178.883 176.870 -0.775 0.000 1.073 42 L CA 1.383 55.873 54.840 -0.584 0.000 0.745 42 L CB -0.407 41.270 42.059 -0.637 0.000 0.900 42 L HN 0.148 8.378 8.230 -0.000 0.000 0.435 43 I N -0.047 120.267 120.570 -0.427 0.000 2.252 43 I HA -0.232 3.926 4.170 -0.021 0.000 0.245 43 I C 2.073 178.134 176.117 -0.094 0.000 1.102 43 I CA 1.091 62.265 61.300 -0.209 0.000 1.385 43 I CB -0.282 37.732 38.000 0.024 0.000 1.064 43 I HN 0.337 8.547 8.210 -0.000 0.000 0.414 44 N N 0.245 118.897 118.700 -0.080 0.000 2.387 44 N HA -0.048 4.679 4.740 -0.021 0.000 0.176 44 N C 1.549 177.032 175.510 -0.045 0.000 1.022 44 N CA 1.002 54.034 53.050 -0.029 0.000 0.883 44 N CB 0.082 38.558 38.487 -0.019 0.000 1.019 44 N HN 0.421 8.801 8.380 -0.000 0.000 0.435 45 E N -0.693 119.467 120.200 -0.067 0.000 2.389 45 E HA 0.131 4.468 4.350 -0.021 0.000 0.199 45 E C 0.863 177.465 176.600 0.004 0.000 0.978 45 E CA 0.510 56.889 56.400 -0.034 0.000 0.912 45 E CB 0.510 30.205 29.700 -0.008 0.000 0.907 45 E HN 0.182 8.542 8.360 -0.000 0.000 0.494 46 T N 0.491 115.025 114.554 -0.034 0.000 3.082 46 T HA 0.025 4.362 4.350 -0.021 0.000 0.235 46 T C 1.383 176.200 174.700 0.195 0.000 0.991 46 T CA 0.172 62.357 62.100 0.141 0.000 1.220 46 T CB -0.288 68.578 68.868 -0.004 0.000 0.909 46 T HN -0.024 8.216 8.240 -0.000 0.000 0.424 47 F N 1.807 121.689 119.950 -0.113 0.000 2.120 47 F HA 0.037 4.549 4.527 -0.026 0.000 0.300 47 F C -0.659 175.013 175.800 -0.213 0.000 1.095 47 F CA 0.276 58.080 58.000 -0.328 0.000 1.249 47 F CB -2.365 35.997 39.000 -1.065 0.000 0.995 47 F HN 0.232 8.532 8.300 -0.000 0.000 0.480 48 P HA -0.129 4.291 4.420 -0.000 0.000 0.222 48 P C 1.192 178.443 177.300 -0.082 0.000 1.147 48 P CA 1.706 64.835 63.100 0.049 0.000 0.790 48 P CB -0.028 31.690 31.700 0.029 0.000 0.780 49 K N -2.639 117.630 120.400 -0.218 0.000 2.214 49 K HA 0.064 4.371 4.320 -0.021 0.000 0.201 49 K C 0.395 176.617 176.600 -0.631 0.000 1.049 49 K CA 0.555 56.469 56.287 -0.622 0.000 0.978 49 K CB 0.263 32.003 32.500 -1.266 0.000 0.842 49 K HN 0.115 8.365 8.250 -0.000 0.000 0.474 50 W N 1.257 122.590 121.300 0.055 0.000 2.683 50 W HA 0.319 4.967 4.660 -0.020 0.000 0.329 50 W C -0.390 176.204 176.519 0.125 0.000 1.037 50 W CA -1.235 56.163 57.345 0.089 0.000 1.232 50 W CB 1.492 31.010 29.460 0.096 0.000 1.390 50 W HN -0.137 8.043 8.180 -0.000 0.000 0.465 51 S N 4.616 120.490 115.700 0.290 0.000 2.488 51 S HA 0.145 4.603 4.470 -0.021 0.000 0.278 51 S C -0.849 173.865 174.600 0.190 0.000 1.259 51 S CA -0.934 57.389 58.200 0.206 0.000 1.061 51 S CB 0.702 63.996 63.200 0.157 0.000 0.910 51 S HN 0.203 8.513 8.310 -0.000 0.000 0.491 52 P HA 0.058 4.478 4.420 -0.000 0.000 0.245 52 P C 0.794 178.130 177.300 0.061 0.000 1.212 52 P CA 0.456 63.614 63.100 0.098 0.000 0.774 52 P CB 0.113 31.710 31.700 -0.171 0.000 0.999 53 L N -0.079 121.157 121.223 0.022 0.000 2.425 53 L HA 0.098 4.426 4.340 -0.021 0.000 0.215 53 L C 1.714 178.584 176.870 -0.000 0.000 1.065 53 L CA 0.754 55.569 54.840 -0.041 0.000 0.842 53 L CB -0.636 41.337 42.059 -0.144 0.000 1.033 53 L HN 0.048 8.278 8.230 -0.000 0.000 0.474 54 N N 0.112 118.834 118.700 0.037 0.000 2.270 54 N HA 0.086 4.813 4.740 -0.021 0.000 0.198 54 N C 1.151 176.697 175.510 0.061 0.000 1.117 54 N CA 0.734 53.811 53.050 0.045 0.000 0.845 54 N CB 0.680 39.199 38.487 0.054 0.000 0.980 54 N HN 0.223 8.603 8.380 -0.000 0.000 0.486 55 G N 0.111 108.951 108.800 0.066 0.000 2.176 55 G HA2 -0.305 3.643 3.960 -0.021 0.000 0.232 55 G HA3 -0.305 3.643 3.960 -0.021 0.000 0.232 55 G C 0.718 175.667 174.900 0.082 0.000 0.986 55 G CA 0.262 45.398 45.100 0.060 0.000 0.643 55 G HN 0.404 8.694 8.290 -0.000 0.000 0.522 56 E N -0.373 119.899 120.200 0.121 0.000 2.153 56 E HA 0.052 4.390 4.350 -0.021 0.000 0.194 56 E C 0.952 177.633 176.600 0.135 0.000 0.988 56 E CA 0.790 57.287 56.400 0.162 0.000 0.811 56 E CB 0.104 29.949 29.700 0.242 0.000 0.746 56 E HN 0.652 9.012 8.360 -0.000 0.000 0.466 57 I N 0.445 121.094 120.570 0.133 0.000 2.406 57 I HA 0.154 4.312 4.170 -0.021 0.000 0.290 57 I C -0.199 175.960 176.117 0.071 0.000 0.999 57 I CA -0.591 60.772 61.300 0.105 0.000 1.124 57 I CB 1.928 40.059 38.000 0.219 0.000 1.289 57 I HN -0.143 8.067 8.210 -0.000 0.000 0.441 58 S N 5.858 121.564 115.700 0.010 0.000 2.578 58 S HA 0.599 5.056 4.470 -0.021 0.000 0.301 58 S C -1.084 173.501 174.600 -0.025 0.000 1.091 58 S CA -0.458 57.751 58.200 0.015 0.000 1.032 58 S CB 1.228 64.476 63.200 0.081 0.000 1.064 58 S HN 0.398 8.708 8.310 -0.000 0.000 0.508 59 F N 3.181 123.047 119.950 -0.139 0.000 2.388 59 F HA 0.490 5.004 4.527 -0.022 0.000 0.358 59 F C 0.312 176.084 175.800 -0.046 0.000 1.122 59 F CA -0.397 57.502 58.000 -0.168 0.000 1.056 59 F CB 1.407 40.270 39.000 -0.229 0.000 1.155 59 F HN 0.540 8.840 8.300 -0.000 0.000 0.461 60 S N 6.390 121.953 115.700 -0.228 0.000 2.455 60 S HA 0.212 4.669 4.470 -0.021 0.000 0.278 60 S C -1.228 173.484 174.600 0.187 0.000 1.216 60 S CA -0.029 58.186 58.200 0.025 0.000 1.055 60 S CB -0.256 62.949 63.200 0.008 0.000 0.939 60 S HN 0.598 8.908 8.310 -0.000 0.000 0.494 61 Y N 5.361 125.795 120.300 0.225 0.000 2.361 61 Y HA 0.462 4.999 4.550 -0.021 0.000 0.337 61 Y C 0.332 176.365 175.900 0.223 0.000 0.965 61 Y CA -0.708 57.555 58.100 0.272 0.000 1.091 61 Y CB 1.165 39.793 38.460 0.280 0.000 1.182 61 Y HN 0.764 9.044 8.280 -0.000 0.000 0.450 62 N N 2.498 121.058 118.700 -0.233 0.000 2.184 62 N HA 0.195 4.923 4.740 -0.021 0.000 0.234 62 N C 0.926 176.212 175.510 -0.373 0.000 1.282 62 N CA 0.363 53.299 53.050 -0.191 0.000 0.877 62 N CB 0.795 39.396 38.487 0.190 0.000 1.184 62 N HN 0.955 9.335 8.380 -0.000 0.000 0.510 63 G N -0.724 107.671 108.800 -0.675 0.000 2.184 63 G HA2 -0.213 3.734 3.960 -0.021 0.000 0.264 63 G HA3 -0.213 3.734 3.960 -0.021 0.000 0.264 63 G C 0.486 175.375 174.900 -0.019 0.000 0.975 63 G CA 0.291 45.273 45.100 -0.196 0.000 0.642 63 G HN 0.800 9.090 8.290 -0.000 0.000 0.536 64 G N -0.163 108.593 108.800 -0.075 0.000 2.621 64 G HA2 0.528 4.476 3.960 -0.021 0.000 0.271 64 G HA3 0.528 4.476 3.960 -0.021 0.000 0.271 64 G C 1.100 176.043 174.900 0.071 0.000 1.236 64 G CA 0.485 45.618 45.100 0.056 0.000 0.958 64 G HN 0.777 9.067 8.290 -0.000 0.000 0.512 65 K N -0.647 119.807 120.400 0.090 0.000 2.063 65 K HA -0.136 4.171 4.320 -0.021 0.000 0.208 65 K C 1.325 177.827 176.600 -0.163 0.000 1.048 65 K CA 1.831 58.035 56.287 -0.138 0.000 0.928 65 K CB -0.235 31.936 32.500 -0.549 0.000 0.713 65 K HN 0.289 8.539 8.250 -0.000 0.000 0.442 66 D N 1.310 121.610 120.400 -0.166 0.000 2.097 66 D HA -0.118 4.509 4.640 -0.021 0.000 0.195 66 D C 2.132 178.343 176.300 -0.148 0.000 0.989 66 D CA 1.169 55.051 54.000 -0.197 0.000 0.827 66 D CB -0.702 39.997 40.800 -0.167 0.000 0.966 66 D HN 0.287 8.657 8.370 -0.000 0.000 0.456 67 C N 0.380 119.629 119.300 -0.086 0.000 2.413 67 C HA -0.158 4.290 4.460 -0.021 0.000 0.276 67 C C 2.748 177.791 174.990 0.088 0.000 1.236 67 C CA 0.970 59.978 59.018 -0.016 0.000 1.735 67 C CB -0.905 26.714 27.740 -0.202 0.000 2.031 67 C HN 0.427 8.657 8.230 -0.000 0.000 0.474 68 Q N 0.070 119.904 119.800 0.058 0.000 2.079 68 Q HA -0.148 4.179 4.340 -0.021 0.000 0.200 68 Q C 2.126 178.173 176.000 0.078 0.000 0.974 68 Q CA 1.862 57.747 55.803 0.137 0.000 0.840 68 Q CB -0.060 28.815 28.738 0.228 0.000 0.898 68 Q HN 0.515 8.785 8.270 -0.000 0.000 0.430 69 V N 0.895 120.808 119.914 -0.002 0.000 2.255 69 V HA -0.270 3.837 4.120 -0.021 0.000 0.247 69 V C 2.279 178.300 176.094 -0.120 0.000 1.051 69 V CA 1.673 63.941 62.300 -0.055 0.000 1.018 69 V CB -0.678 30.949 31.823 -0.328 0.000 0.641 69 V HN 0.446 8.636 8.190 -0.000 0.000 0.445 70 L N -0.405 120.738 121.223 -0.133 0.000 2.046 70 L HA -0.142 4.186 4.340 -0.021 0.000 0.208 70 L C 2.176 179.195 176.870 0.248 0.000 1.077 70 L CA 1.859 56.690 54.840 -0.014 0.000 0.747 70 L CB -0.835 41.212 42.059 -0.020 0.000 0.896 70 L HN 0.311 8.541 8.230 -0.000 0.000 0.432 71 L N -0.904 120.473 121.223 0.256 0.000 2.017 71 L HA -0.208 4.120 4.340 -0.021 0.000 0.208 71 L C 2.361 179.207 176.870 -0.040 0.000 1.073 71 L CA 1.859 56.669 54.840 -0.049 0.000 0.745 71 L CB -0.629 41.290 42.059 -0.233 0.000 0.894 71 L HN 0.288 8.518 8.230 -0.000 0.000 0.432 72 L N -1.247 119.970 121.223 -0.010 0.000 2.012 72 L HA -0.265 4.063 4.340 -0.021 0.000 0.210 72 L C 2.540 179.500 176.870 0.150 0.000 1.073 72 L CA 1.532 56.407 54.840 0.058 0.000 0.748 72 L CB -0.743 41.431 42.059 0.192 0.000 0.891 72 L HN 0.312 8.542 8.230 -0.000 0.000 0.431 73 L N -1.802 119.501 121.223 0.134 0.000 2.093 73 L HA -0.246 4.081 4.340 -0.021 0.000 0.208 73 L C 2.630 179.614 176.870 0.190 0.000 1.085 73 L CA 1.188 56.086 54.840 0.098 0.000 0.755 73 L CB -0.688 41.336 42.059 -0.059 0.000 0.904 73 L HN 0.170 8.400 8.230 -0.000 0.000 0.435 74 Y N 0.779 121.157 120.300 0.130 0.000 2.145 74 Y HA -0.232 4.308 4.550 -0.017 0.000 0.286 74 Y C 2.384 178.425 175.900 0.236 0.000 1.145 74 Y CA 1.504 59.743 58.100 0.232 0.000 1.148 74 Y CB -0.160 38.501 38.460 0.334 0.000 0.981 74 Y HN -0.028 8.252 8.280 -0.000 0.000 0.507 75 L N -1.126 120.233 121.223 0.226 0.000 2.046 75 L HA -0.260 4.067 4.340 -0.021 0.000 0.208 75 L C 2.811 179.805 176.870 0.207 0.000 1.077 75 L CA 1.652 56.581 54.840 0.149 0.000 0.747 75 L CB -0.889 41.207 42.059 0.062 0.000 0.896 75 L HN 0.224 8.454 8.230 -0.000 0.000 0.432 76 S N -0.729 115.105 115.700 0.225 0.000 2.359 76 S HA -0.241 4.217 4.470 -0.021 0.000 0.224 76 S C 2.097 176.938 174.600 0.403 0.000 1.035 76 S CA 1.815 60.214 58.200 0.332 0.000 1.018 76 S CB -0.343 63.013 63.200 0.259 0.000 0.876 76 S HN 0.543 8.854 8.310 -0.000 0.000 0.448 77 C N 1.159 120.630 119.300 0.286 0.000 2.446 77 C HA 0.175 4.622 4.460 -0.021 0.000 0.279 77 C C 2.491 177.705 174.990 0.373 0.000 1.366 77 C CA 0.172 59.370 59.018 0.301 0.000 1.763 77 C CB -1.569 26.271 27.740 0.167 0.000 1.929 77 C HN 0.572 8.802 8.230 -0.000 0.000 0.509 78 L N -0.370 121.001 121.223 0.247 0.000 2.046 78 L HA -0.187 4.140 4.340 -0.021 0.000 0.208 78 L C 2.708 179.754 176.870 0.294 0.000 1.077 78 L CA 1.713 56.646 54.840 0.156 0.000 0.747 78 L CB -0.636 41.465 42.059 0.070 0.000 0.896 78 L HN 0.635 8.865 8.230 -0.000 0.000 0.432 79 W N 1.485 122.853 121.300 0.113 0.000 2.379 79 W HA -0.228 4.425 4.660 -0.012 0.000 0.307 79 W C 2.325 178.798 176.519 -0.077 0.000 1.200 79 W CA 2.014 59.375 57.345 0.027 0.000 1.297 79 W CB -0.050 29.411 29.460 0.001 0.000 1.140 79 W HN 0.291 8.471 8.180 -0.000 0.000 0.507 80 E N -0.635 119.631 120.200 0.110 0.000 2.077 80 E HA -0.324 4.014 4.350 -0.021 0.000 0.193 80 E C 2.182 178.754 176.600 -0.046 0.000 0.989 80 E CA 1.712 58.100 56.400 -0.020 0.000 0.800 80 E CB -0.876 28.986 29.700 0.271 0.000 0.746 80 E HN 0.265 8.625 8.360 -0.000 0.000 0.452 81 Y N -0.511 119.710 120.300 -0.131 0.000 2.163 81 Y HA -0.234 4.312 4.550 -0.007 0.000 0.288 81 Y C 1.560 177.180 175.900 -0.466 0.000 1.136 81 Y CA 1.861 59.784 58.100 -0.294 0.000 1.147 81 Y CB -0.183 38.058 38.460 -0.366 0.000 0.987 81 Y HN 0.142 8.422 8.280 -0.000 0.000 0.509 82 Y N -0.723 119.501 120.300 -0.127 0.000 2.397 82 Y HA 0.072 4.611 4.550 -0.019 0.000 0.292 82 Y C 0.823 176.483 175.900 -0.400 0.000 1.115 82 Y CA 0.065 58.007 58.100 -0.264 0.000 1.208 82 Y CB 0.094 38.440 38.460 -0.189 0.000 1.046 82 Y HN -0.133 8.147 8.280 -0.000 0.000 0.552 104 P HA 0.258 4.678 4.420 -0.000 0.000 0.263 104 P C -0.639 176.659 177.300 -0.003 0.000 1.195 104 P CA 0.646 63.715 63.100 -0.051 0.000 0.762 104 P CB 0.689 32.319 31.700 -0.117 0.000 0.799 105 T N 2.336 116.894 114.554 0.007 0.000 2.893 105 T HA 0.520 4.858 4.350 -0.021 0.000 0.291 105 T C -0.982 173.783 174.700 0.108 0.000 1.028 105 T CA -0.563 61.580 62.100 0.073 0.000 0.995 105 T CB 1.692 70.540 68.868 -0.032 0.000 1.051 105 T HN 0.171 8.411 8.240 -0.000 0.000 0.470 106 V N 4.029 124.004 119.914 0.102 0.000 2.525 106 V HA 0.787 4.894 4.120 -0.021 0.000 0.299 106 V C -1.917 174.271 176.094 0.156 0.000 1.034 106 V CA -0.862 61.443 62.300 0.008 0.000 0.863 106 V CB 1.229 32.654 31.823 -0.665 0.000 0.999 106 V HN 0.786 8.976 8.190 -0.000 0.000 0.423 107 F N 8.350 128.318 119.950 0.030 0.000 2.467 107 F HA 0.690 5.205 4.527 -0.021 0.000 0.336 107 F C -0.684 175.066 175.800 -0.083 0.000 1.123 107 F CA -1.630 56.390 58.000 0.034 0.000 0.964 107 F CB 1.559 40.624 39.000 0.109 0.000 1.136 107 F HN 0.366 8.666 8.300 -0.000 0.000 0.447 108 I N 5.490 125.747 120.570 -0.521 0.000 2.291 108 I HA 0.155 4.313 4.170 -0.021 0.000 0.292 108 I C 0.076 175.412 176.117 -1.301 0.000 1.064 108 I CA -0.321 60.544 61.300 -0.724 0.000 1.269 108 I CB 0.066 37.833 38.000 -0.388 0.000 1.418 108 I HN 0.503 8.713 8.210 -0.000 0.000 0.485 109 D N 5.878 125.487 120.400 -1.318 0.000 2.304 109 D HA 0.336 4.963 4.640 -0.021 0.000 0.247 109 D C -0.553 175.254 176.300 -0.822 0.000 1.089 109 D CA 0.108 53.418 54.000 -1.150 0.000 0.910 109 D CB 0.723 41.148 40.800 -0.626 0.000 1.199 109 D HN 0.446 8.816 8.370 -0.000 0.000 0.426 110 H N -0.420 118.546 119.070 -0.173 0.000 2.865 110 H HA 0.187 4.731 4.556 -0.021 0.000 0.372 110 H C 0.260 175.562 175.328 -0.042 0.000 1.173 110 H CA -0.740 55.258 56.048 -0.083 0.000 1.147 110 H CB 1.605 31.342 29.762 -0.042 0.000 1.805 110 H HN 0.304 8.584 8.280 -0.000 0.000 0.553 111 D N -0.309 120.143 120.400 0.087 0.000 2.310 111 D HA -0.151 4.476 4.640 -0.021 0.000 0.212 111 D C 0.520 176.827 176.300 0.012 0.000 0.965 111 D CA 0.699 54.716 54.000 0.028 0.000 0.879 111 D CB 0.018 40.822 40.800 0.008 0.000 0.921 111 D HN 0.641 9.011 8.370 -0.000 0.000 0.510 112 D N -0.591 119.820 120.400 0.020 0.000 2.559 112 D HA 0.053 4.680 4.640 -0.021 0.000 0.234 112 D C -0.358 175.890 176.300 -0.088 0.000 1.226 112 D CA -0.504 53.462 54.000 -0.057 0.000 0.830 112 D CB -0.621 40.133 40.800 -0.077 0.000 1.028 112 D HN -0.145 8.225 8.370 -0.000 0.000 0.492 113 T N 0.746 115.308 114.554 0.012 0.000 2.897 113 T HA 0.227 4.565 4.350 -0.021 0.000 0.294 113 T C 0.204 174.901 174.700 -0.005 0.000 1.004 113 T CA -0.367 61.777 62.100 0.073 0.000 1.106 113 T CB 0.357 69.367 68.868 0.236 0.000 0.949 113 T HN -0.039 8.201 8.240 -0.000 0.000 0.520 114 F N 2.425 122.362 119.950 -0.021 0.000 2.608 114 F HA 0.102 4.616 4.527 -0.021 0.000 0.380 114 F C 1.695 177.465 175.800 -0.050 0.000 1.083 114 F CA -0.128 57.823 58.000 -0.081 0.000 1.266 114 F CB 0.560 39.444 39.000 -0.193 0.000 1.076 114 F HN 0.493 8.793 8.300 -0.000 0.000 0.574 115 K N 1.431 121.913 120.400 0.136 0.000 2.103 115 K HA -0.157 4.151 4.320 -0.021 0.000 0.207 115 K C 1.766 178.410 176.600 0.073 0.000 1.048 115 K CA 2.041 58.378 56.287 0.083 0.000 0.930 115 K CB -0.519 32.010 32.500 0.048 0.000 0.716 115 K HN 0.697 8.947 8.250 -0.000 0.000 0.444 116 T N 1.113 115.698 114.554 0.052 0.000 2.788 116 T HA -0.121 4.217 4.350 -0.021 0.000 0.268 116 T C 1.514 176.220 174.700 0.011 0.000 1.044 116 T CA 1.255 63.345 62.100 -0.016 0.000 1.139 116 T CB -0.229 68.552 68.868 -0.145 0.000 0.867 116 T HN 0.129 8.369 8.240 -0.000 0.000 0.454 117 L N 1.402 122.632 121.223 0.011 0.000 2.056 117 L HA -0.002 4.326 4.340 -0.021 0.000 0.207 117 L C 2.400 179.312 176.870 0.069 0.000 1.078 117 L CA 1.710 56.567 54.840 0.028 0.000 0.749 117 L CB -0.615 41.457 42.059 0.022 0.000 0.901 117 L HN 0.076 8.306 8.230 -0.000 0.000 0.433 118 E N -0.005 120.242 120.200 0.079 0.000 2.049 118 E HA -0.239 4.098 4.350 -0.021 0.000 0.198 118 E C 1.982 178.613 176.600 0.052 0.000 1.007 118 E CA 1.450 57.890 56.400 0.068 0.000 0.809 118 E CB -0.572 29.189 29.700 0.102 0.000 0.749 118 E HN 0.552 8.912 8.360 -0.000 0.000 0.450 119 N N 0.572 119.313 118.700 0.067 0.000 2.069 119 N HA -0.166 4.562 4.740 -0.021 0.000 0.191 119 N C 1.698 177.252 175.510 0.073 0.000 1.031 119 N CA 0.823 53.908 53.050 0.059 0.000 0.852 119 N CB -0.726 37.800 38.487 0.065 0.000 1.018 119 N HN 0.124 8.504 8.380 -0.000 0.000 0.423 120 F N 1.605 121.539 119.950 -0.025 0.000 2.095 120 F HA -0.057 4.457 4.527 -0.021 0.000 0.298 120 F C 2.142 177.956 175.800 0.024 0.000 1.104 120 F CA 1.027 59.022 58.000 -0.007 0.000 1.232 120 F CB -0.335 38.652 39.000 -0.021 0.000 0.987 120 F HN -0.049 8.251 8.300 -0.000 0.000 0.475 121 I N 0.220 120.815 120.570 0.042 0.000 2.208 121 I HA -0.327 3.831 4.170 -0.021 0.000 0.245 121 I C 2.274 178.351 176.117 -0.068 0.000 1.097 121 I CA 1.839 63.142 61.300 0.006 0.000 1.363 121 I CB -0.580 37.318 38.000 -0.170 0.000 1.051 121 I HN 0.224 8.434 8.210 -0.000 0.000 0.413 122 E N 0.619 120.778 120.200 -0.067 0.000 2.031 122 E HA -0.249 4.088 4.350 -0.021 0.000 0.193 122 E C 2.123 178.647 176.600 -0.127 0.000 0.994 122 E CA 1.420 57.777 56.400 -0.071 0.000 0.800 122 E CB -0.103 29.576 29.700 -0.034 0.000 0.752 122 E HN 0.498 8.858 8.360 -0.000 0.000 0.447 123 E N -0.056 120.045 120.200 -0.165 0.000 2.058 123 E HA -0.185 4.152 4.350 -0.021 0.000 0.194 123 E C 2.304 178.716 176.600 -0.314 0.000 0.997 123 E CA 1.930 58.201 56.400 -0.215 0.000 0.801 123 E CB -0.149 29.427 29.700 -0.206 0.000 0.746 123 E HN 0.366 8.726 8.360 -0.000 0.000 0.450 124 T N -1.681 112.614 114.554 -0.432 0.000 2.904 124 T HA -0.035 4.303 4.350 -0.021 0.000 0.267 124 T C 2.101 176.661 174.700 -0.233 0.000 1.059 124 T CA 1.071 62.937 62.100 -0.389 0.000 1.137 124 T CB -0.163 68.509 68.868 -0.327 0.000 0.879 124 T HN -0.086 8.154 8.240 -0.000 0.000 0.467 125 S N 1.602 117.169 115.700 -0.221 0.000 2.370 125 S HA 0.037 4.494 4.470 -0.021 0.000 0.226 125 S C 1.921 176.431 174.600 -0.149 0.000 1.033 125 S CA 1.131 59.214 58.200 -0.194 0.000 1.011 125 S CB -0.572 62.537 63.200 -0.153 0.000 0.852 125 S HN 0.413 8.723 8.310 -0.000 0.000 0.457 126 L N 0.686 121.813 121.223 -0.160 0.000 2.027 126 L HA -0.075 4.253 4.340 -0.021 0.000 0.206 126 L C 2.754 179.511 176.870 -0.188 0.000 1.074 126 L CA 1.257 56.012 54.840 -0.143 0.000 0.745 126 L CB -0.387 41.595 42.059 -0.128 0.000 0.898 126 L HN 0.258 8.488 8.230 -0.000 0.000 0.433 127 R N -0.384 119.928 120.500 -0.312 0.000 2.083 127 R HA -0.214 4.114 4.340 -0.021 0.000 0.237 127 R C 1.593 177.633 176.300 -0.434 0.000 1.137 127 R CA 1.868 57.687 56.100 -0.467 0.000 0.951 127 R CB -0.162 29.663 30.300 -0.792 0.000 0.851 127 R HN 0.284 8.554 8.270 -0.000 0.000 0.434 128 Y N 0.140 120.369 120.300 -0.118 0.000 2.493 128 Y HA 0.317 4.855 4.550 -0.021 0.000 0.275 128 Y C 0.394 176.234 175.900 -0.100 0.000 1.183 128 Y CA -0.158 57.879 58.100 -0.105 0.000 1.258 128 Y CB 0.494 38.870 38.460 -0.140 0.000 1.108 128 Y HN -0.041 8.239 8.280 -0.000 0.000 0.521 129 S N 0.857 116.556 115.700 -0.001 0.000 3.631 129 S HA -0.180 4.277 4.470 -0.021 0.000 0.366 129 S C 0.047 174.635 174.600 -0.021 0.000 0.993 129 S CA 0.156 58.348 58.200 -0.013 0.000 1.167 129 S CB -1.904 61.298 63.200 0.005 0.000 0.909 129 S HN 0.352 8.662 8.310 -0.000 0.000 0.478 130 L N 0.553 121.741 121.223 -0.058 0.000 2.456 130 L HA 0.515 4.843 4.340 -0.021 0.000 0.257 130 L C 0.890 177.725 176.870 -0.059 0.000 1.162 130 L CA -0.346 54.436 54.840 -0.096 0.000 0.808 130 L CB 1.085 43.017 42.059 -0.212 0.000 1.136 130 L HN 0.313 8.543 8.230 -0.000 0.000 0.466 131 S N 2.221 117.897 115.700 -0.039 0.000 2.505 131 S HA 0.343 4.800 4.470 -0.021 0.000 0.280 131 S C -0.689 173.932 174.600 0.035 0.000 1.197 131 S CA -0.692 57.513 58.200 0.008 0.000 1.138 131 S CB 0.027 63.241 63.200 0.022 0.000 1.010 131 S HN 0.370 8.680 8.310 -0.000 0.000 0.480 132 L N 6.320 127.570 121.223 0.044 0.000 2.319 132 L HA 0.503 4.831 4.340 -0.021 0.000 0.280 132 L C -0.855 176.128 176.870 0.188 0.000 1.099 132 L CA -0.281 54.611 54.840 0.087 0.000 0.828 132 L CB 0.490 42.574 42.059 0.041 0.000 1.150 132 L HN 0.687 8.917 8.230 -0.000 0.000 0.442 133 Y N 4.708 125.082 120.300 0.123 0.000 2.341 133 Y HA 0.516 5.053 4.550 -0.021 0.000 0.337 133 Y C -0.524 175.457 175.900 0.134 0.000 1.014 133 Y CA -0.412 57.802 58.100 0.189 0.000 1.111 133 Y CB 1.061 39.734 38.460 0.355 0.000 1.194 133 Y HN 0.677 8.957 8.280 -0.000 0.000 0.462 134 E N 3.749 123.717 120.200 -0.386 0.000 2.199 134 E HA 0.301 4.638 4.350 -0.021 0.000 0.269 134 E C -0.789 175.443 176.600 -0.613 0.000 0.899 134 E CA -0.884 55.337 56.400 -0.300 0.000 0.772 134 E CB 1.728 31.374 29.700 -0.089 0.000 1.155 134 E HN 0.773 9.133 8.360 -0.000 0.000 0.408 135 S N 1.659 117.113 115.700 -0.410 0.000 2.617 135 S HA 0.058 4.515 4.470 -0.021 0.000 0.259 135 S C 0.124 174.543 174.600 -0.301 0.000 1.301 135 S CA -0.714 57.304 58.200 -0.304 0.000 0.984 135 S CB 0.896 63.935 63.200 -0.267 0.000 0.954 135 S HN 0.489 8.799 8.310 -0.000 0.000 0.572 136 D N 0.196 120.469 120.400 -0.213 0.000 2.365 136 D HA 0.128 4.755 4.640 -0.021 0.000 0.237 136 D C 1.535 177.736 176.300 -0.166 0.000 1.190 136 D CA -0.634 53.266 54.000 -0.166 0.000 0.867 136 D CB 0.674 41.407 40.800 -0.112 0.000 1.050 136 D HN 0.702 9.072 8.370 -0.000 0.000 0.491 137 R N 2.710 123.113 120.500 -0.162 0.000 2.241 137 R HA -0.099 4.229 4.340 -0.021 0.000 0.224 137 R C -0.140 176.115 176.300 -0.077 0.000 1.101 137 R CA 0.942 56.959 56.100 -0.139 0.000 0.995 137 R CB 0.124 30.368 30.300 -0.094 0.000 0.870 137 R HN 0.200 8.470 8.270 -0.000 0.000 0.463 138 D N 0.832 121.192 120.400 -0.067 0.000 2.339 138 D HA 0.021 4.649 4.640 -0.021 0.000 0.217 138 D C -0.295 175.981 176.300 -0.041 0.000 1.050 138 D CA 0.419 54.393 54.000 -0.043 0.000 0.856 138 D CB 0.354 41.132 40.800 -0.037 0.000 0.922 138 D HN 0.269 8.639 8.370 -0.000 0.000 0.518 139 K N 0.868 121.236 120.400 -0.054 0.000 2.213 139 K HA 0.229 4.537 4.320 -0.021 0.000 0.270 139 K C -0.777 175.801 176.600 -0.037 0.000 1.002 139 K CA -0.546 55.714 56.287 -0.045 0.000 0.868 139 K CB 1.393 33.862 32.500 -0.052 0.000 1.093 139 K HN -0.135 8.115 8.250 -0.000 0.000 0.454 140 C N 6.620 125.907 119.300 -0.023 0.000 2.492 140 C HA 0.250 4.698 4.460 -0.021 0.000 0.362 140 C C -0.696 174.285 174.990 -0.015 0.000 1.207 140 C CA 0.011 59.023 59.018 -0.011 0.000 1.626 140 C CB -1.784 25.951 27.740 -0.007 0.000 2.239 140 C HN 0.961 9.191 8.230 -0.000 0.000 0.547 141 E N 3.257 123.449 120.200 -0.013 0.000 2.412 141 E HA 0.523 4.860 4.350 -0.021 0.000 0.279 141 E C -0.715 175.877 176.600 -0.014 0.000 0.984 141 E CA -0.678 55.708 56.400 -0.024 0.000 0.788 141 E CB 1.064 30.738 29.700 -0.043 0.000 1.277 141 E HN 0.485 8.845 8.360 -0.000 0.000 0.455 142 T N -1.445 113.090 114.554 -0.032 0.000 2.816 142 T HA 0.173 4.510 4.350 -0.021 0.000 0.282 142 T C 1.177 175.837 174.700 -0.066 0.000 0.993 142 T CA -0.471 61.609 62.100 -0.032 0.000 0.994 142 T CB 1.081 69.914 68.868 -0.057 0.000 1.025 142 T HN 0.732 8.972 8.240 -0.000 0.000 0.529 143 M N 1.131 120.706 119.600 -0.043 0.000 2.117 143 M HA -0.021 4.446 4.480 -0.021 0.000 0.262 143 M C 2.388 178.490 176.300 -0.330 0.000 1.065 143 M CA 2.113 57.382 55.300 -0.051 0.000 1.114 143 M CB -0.869 31.806 32.600 0.126 0.000 1.361 143 M HN 0.904 9.194 8.290 -0.000 0.000 0.408 144 A N 0.288 122.713 122.820 -0.659 0.000 1.883 144 A HA -0.242 4.066 4.320 -0.021 0.000 0.217 144 A C 1.830 179.159 177.584 -0.425 0.000 1.186 144 A CA 2.231 53.634 52.037 -1.056 0.000 0.624 144 A CB -0.923 17.539 19.000 -0.897 0.000 0.822 144 A HN 0.700 8.850 8.150 -0.000 0.000 0.444 145 E N -0.454 119.605 120.200 -0.234 0.000 2.077 145 E HA -0.078 4.259 4.350 -0.021 0.000 0.193 145 E C 2.316 178.873 176.600 -0.072 0.000 0.989 145 E CA 0.981 57.314 56.400 -0.113 0.000 0.800 145 E CB -0.296 29.357 29.700 -0.078 0.000 0.746 145 E HN 0.626 8.986 8.360 -0.000 0.000 0.452 146 A N 0.437 123.199 122.820 -0.096 0.000 1.933 146 A HA -0.172 4.135 4.320 -0.021 0.000 0.218 146 A C 1.870 179.409 177.584 -0.076 0.000 1.175 146 A CA 1.135 53.114 52.037 -0.097 0.000 0.628 146 A CB -0.676 18.215 19.000 -0.182 0.000 0.814 146 A HN 0.202 8.352 8.150 -0.000 0.000 0.444 147 F N -0.212 119.662 119.950 -0.128 0.000 2.259 147 F HA -0.060 4.454 4.527 -0.021 0.000 0.298 147 F C 2.331 178.211 175.800 0.133 0.000 1.088 147 F CA 1.560 59.559 58.000 -0.002 0.000 1.358 147 F CB -0.140 38.817 39.000 -0.072 0.000 1.040 147 F HN 0.337 8.637 8.300 -0.000 0.000 0.505 148 E N 0.142 120.452 120.200 0.184 0.000 2.051 148 E HA -0.174 4.163 4.350 -0.021 0.000 0.192 148 E C 2.064 178.733 176.600 0.115 0.000 0.991 148 E CA 2.254 58.739 56.400 0.142 0.000 0.799 148 E CB -0.660 29.073 29.700 0.054 0.000 0.748 148 E HN 0.214 8.574 8.360 -0.000 0.000 0.449 149 T N 0.361 114.967 114.554 0.087 0.000 2.720 149 T HA -0.170 4.168 4.350 -0.021 0.000 0.268 149 T C 1.501 176.242 174.700 0.068 0.000 1.037 149 T CA 1.407 63.549 62.100 0.071 0.000 1.144 149 T CB -0.646 68.270 68.868 0.080 0.000 0.864 149 T HN 0.335 8.575 8.240 -0.000 0.000 0.444 150 F N 1.863 121.764 119.950 -0.083 0.000 2.126 150 F HA -0.105 4.409 4.527 -0.022 0.000 0.299 150 F C 1.957 177.717 175.800 -0.066 0.000 1.096 150 F CA 0.889 58.733 58.000 -0.261 0.000 1.255 150 F CB -0.484 38.273 39.000 -0.404 0.000 0.997 150 F HN 0.070 8.370 8.300 -0.000 0.000 0.479 151 L N 0.891 122.142 121.223 0.047 0.000 2.083 151 L HA -0.217 4.110 4.340 -0.021 0.000 0.209 151 L C 2.269 179.072 176.870 -0.111 0.000 1.083 151 L CA 1.897 56.731 54.840 -0.010 0.000 0.752 151 L CB -1.075 41.086 42.059 0.171 0.000 0.899 151 L HN 0.299 8.529 8.230 -0.000 0.000 0.433 152 Q N -1.113 118.634 119.800 -0.089 0.000 2.096 152 Q HA -0.183 4.145 4.340 -0.021 0.000 0.204 152 Q C 2.153 178.020 176.000 -0.223 0.000 0.982 152 Q CA 2.139 57.877 55.803 -0.108 0.000 0.850 152 Q CB -0.292 28.408 28.738 -0.063 0.000 0.901 152 Q HN 0.500 8.770 8.270 -0.000 0.000 0.422 153 V N -0.294 119.402 119.914 -0.363 0.000 2.358 153 V HA -0.165 3.942 4.120 -0.021 0.000 0.246 153 V C 0.615 176.148 176.094 -0.934 0.000 1.047 153 V CA 1.362 63.266 62.300 -0.662 0.000 1.035 153 V CB -0.203 31.145 31.823 -0.791 0.000 0.658 153 V HN 0.225 8.415 8.190 -0.000 0.000 0.452 154 F N 0.880 120.526 119.950 -0.507 0.000 2.471 154 F HA 0.396 4.911 4.527 -0.020 0.000 0.318 154 F C -1.531 174.094 175.800 -0.292 0.000 1.308 154 F CA -2.233 55.499 58.000 -0.446 0.000 1.162 154 F CB 0.531 39.114 39.000 -0.695 0.000 1.383 154 F HN 0.081 8.381 8.300 -0.000 0.000 0.552 155 P HA -0.184 4.236 4.420 -0.000 0.000 0.231 155 P C 0.981 178.306 177.300 0.042 0.000 1.158 155 P CA 1.186 64.280 63.100 -0.009 0.000 0.763 155 P CB 0.241 31.927 31.700 -0.022 0.000 0.805 156 E N -0.360 119.873 120.200 0.055 0.000 2.489 156 E HA 0.007 4.344 4.350 -0.021 0.000 0.193 156 E C -0.145 176.516 176.600 0.103 0.000 1.057 156 E CA 0.271 56.720 56.400 0.082 0.000 0.866 156 E CB -1.084 28.664 29.700 0.080 0.000 0.916 156 E HN 0.024 8.384 8.360 -0.000 0.000 0.500 157 T N 2.195 116.803 114.554 0.089 0.000 2.817 157 T HA 0.149 4.486 4.350 -0.021 0.000 0.295 157 T C 0.647 175.433 174.700 0.143 0.000 0.958 157 T CA 0.037 62.194 62.100 0.095 0.000 1.157 157 T CB 1.213 70.130 68.868 0.082 0.000 0.898 157 T HN 0.135 8.375 8.240 -0.000 0.000 0.536 158 K N 1.332 121.823 120.400 0.152 0.000 2.335 158 K HA 0.443 4.750 4.320 -0.021 0.000 0.195 158 K C 0.661 177.329 176.600 0.113 0.000 1.058 158 K CA 0.007 56.420 56.287 0.210 0.000 0.988 158 K CB 0.713 33.417 32.500 0.340 0.000 0.880 158 K HN 0.622 8.872 8.250 -0.000 0.000 0.513 159 A N 1.136 123.930 122.820 -0.043 0.000 2.572 159 A HA 0.693 5.000 4.320 -0.021 0.000 0.295 159 A C -1.502 175.970 177.584 -0.187 0.000 1.072 159 A CA -0.670 51.263 52.037 -0.174 0.000 0.691 159 A CB 1.279 19.906 19.000 -0.621 0.000 1.291 159 A HN 0.083 8.233 8.150 -0.000 0.000 0.404 160 I N 1.434 121.896 120.570 -0.181 0.000 2.533 160 I HA 0.356 4.514 4.170 -0.021 0.000 0.290 160 I C -0.756 175.231 176.117 -0.218 0.000 1.056 160 I CA -0.984 60.144 61.300 -0.286 0.000 1.057 160 I CB 2.250 39.872 38.000 -0.629 0.000 1.240 160 I HN 0.372 8.582 8.210 -0.000 0.000 0.423 161 V N 7.248 126.969 119.914 -0.323 0.000 2.461 161 V HA 0.370 4.478 4.120 -0.021 0.000 0.275 161 V C 0.026 175.795 176.094 -0.542 0.000 1.047 161 V CA -0.064 61.962 62.300 -0.456 0.000 0.955 161 V CB 0.988 32.398 31.823 -0.689 0.000 0.988 161 V HN 0.426 8.616 8.190 -0.000 0.000 0.471 162 I N 3.356 123.695 120.570 -0.385 0.000 2.466 162 I HA 0.438 4.595 4.170 -0.021 0.000 0.289 162 I C 1.105 177.054 176.117 -0.280 0.000 1.026 162 I CA -0.325 60.794 61.300 -0.302 0.000 1.078 162 I CB 2.028 39.911 38.000 -0.195 0.000 1.249 162 I HN 0.666 8.876 8.210 -0.000 0.000 0.429 163 G N 6.503 115.144 108.800 -0.265 0.000 3.262 163 G HA2 0.158 4.106 3.960 -0.021 0.000 0.228 163 G HA3 0.158 4.106 3.960 -0.021 0.000 0.228 163 G C 0.496 175.275 174.900 -0.202 0.000 1.197 163 G CA -0.077 44.878 45.100 -0.242 0.000 0.819 163 G HN 0.546 8.836 8.290 -0.000 0.000 0.531 164 I N 0.526 120.998 120.570 -0.164 0.000 2.813 164 I HA 0.223 4.381 4.170 -0.021 0.000 0.287 164 I C 0.270 176.292 176.117 -0.158 0.000 1.196 164 I CA -0.472 60.754 61.300 -0.124 0.000 1.421 164 I CB 0.597 38.547 38.000 -0.083 0.000 1.365 164 I HN 0.051 8.261 8.210 -0.000 0.000 0.591 165 R N 4.948 125.376 120.500 -0.121 0.000 2.720 165 R HA 0.282 4.609 4.340 -0.021 0.000 0.272 165 R C 0.860 177.115 176.300 -0.075 0.000 0.991 165 R CA -0.845 55.182 56.100 -0.121 0.000 1.010 165 R CB 0.922 31.183 30.300 -0.064 0.000 1.141 165 R HN 0.648 8.918 8.270 -0.000 0.000 0.494 166 H N 0.539 119.600 119.070 -0.015 0.000 2.426 166 H HA -0.122 4.421 4.556 -0.021 0.000 0.298 166 H C 1.788 177.093 175.328 -0.039 0.000 1.107 166 H CA 2.277 58.309 56.048 -0.027 0.000 1.298 166 H CB 0.024 29.775 29.762 -0.017 0.000 1.377 166 H HN 0.673 8.953 8.280 -0.000 0.000 0.519 167 T N -1.808 112.799 114.554 0.088 0.000 3.055 167 T HA -0.040 4.297 4.350 -0.021 0.000 0.265 167 T C 0.712 175.418 174.700 0.011 0.000 1.111 167 T CA -0.055 62.066 62.100 0.034 0.000 1.118 167 T CB 0.129 69.013 68.868 0.027 0.000 0.909 167 T HN 0.040 8.280 8.240 -0.000 0.000 0.501 168 D N 3.193 123.600 120.400 0.012 0.000 2.368 168 D HA 0.232 4.859 4.640 -0.021 0.000 0.240 168 D C -2.441 173.868 176.300 0.015 0.000 1.169 168 D CA -1.555 52.456 54.000 0.018 0.000 0.906 168 D CB 0.753 41.566 40.800 0.021 0.000 1.187 168 D HN 0.163 8.533 8.370 -0.000 0.000 0.435 169 P HA -0.034 4.386 4.420 -0.000 0.000 0.265 169 P C -0.094 177.252 177.300 0.077 0.000 1.193 169 P CA 0.145 63.199 63.100 -0.076 0.000 0.765 169 P CB 0.081 31.780 31.700 -0.001 0.000 0.823 170 F N 0.443 120.401 119.950 0.014 0.000 3.006 170 F HA -0.214 4.300 4.527 -0.021 0.000 0.289 170 F C 1.607 177.406 175.800 -0.000 0.000 0.772 170 F CA 1.073 59.082 58.000 0.014 0.000 1.162 170 F CB -2.419 36.595 39.000 0.022 0.000 1.382 170 F HN 0.489 8.789 8.300 -0.000 0.000 0.406 171 G N -0.546 108.310 108.800 0.094 0.000 2.777 171 G HA2 -0.052 3.896 3.960 -0.021 0.000 0.211 171 G HA3 -0.052 3.896 3.960 -0.021 0.000 0.211 171 G C 1.231 176.216 174.900 0.142 0.000 1.149 171 G CA 0.622 45.775 45.100 0.089 0.000 0.785 171 G HN 0.524 8.814 8.290 -0.000 0.000 0.536 172 E N 0.437 120.619 120.200 -0.030 0.000 2.031 172 E HA -0.144 4.194 4.350 -0.021 0.000 0.193 172 E C 0.477 176.922 176.600 -0.258 0.000 0.994 172 E CA 0.649 56.903 56.400 -0.243 0.000 0.800 172 E CB -0.062 29.302 29.700 -0.560 0.000 0.752 172 E HN 0.461 8.821 8.360 -0.000 0.000 0.447 173 H N 0.288 119.405 119.070 0.079 0.000 2.483 173 H HA 0.286 4.829 4.556 -0.021 0.000 0.224 173 H C -0.407 174.959 175.328 0.063 0.000 1.690 173 H CA 0.063 56.143 56.048 0.053 0.000 1.217 173 H CB -0.384 29.394 29.762 0.027 0.000 1.619 173 H HN 0.087 8.367 8.280 -0.000 0.000 0.528 174 L N 0.674 122.012 121.223 0.191 0.000 2.333 174 L HA 0.523 4.851 4.340 -0.021 0.000 0.263 174 L C 0.096 177.062 176.870 0.161 0.000 1.014 174 L CA -0.983 53.928 54.840 0.119 0.000 0.820 174 L CB 2.299 44.379 42.059 0.035 0.000 1.352 174 L HN 0.025 8.255 8.230 -0.000 0.000 0.421 175 K N 0.999 121.444 120.400 0.074 0.000 2.443 175 K HA 0.393 4.701 4.320 -0.021 0.000 0.251 175 K C -2.118 174.501 176.600 0.032 0.000 0.972 175 K CA -1.765 54.569 56.287 0.079 0.000 0.833 175 K CB 2.358 34.902 32.500 0.073 0.000 1.317 175 K HN 0.074 8.324 8.250 -0.000 0.000 0.441 176 P HA -0.025 4.395 4.420 -0.000 0.000 0.218 176 P C -0.116 177.199 177.300 0.025 0.000 1.148 176 P CA 1.242 64.356 63.100 0.023 0.000 0.822 176 P CB 0.322 32.046 31.700 0.041 0.000 0.784 177 I N -0.888 119.721 120.570 0.065 0.000 2.468 177 I HA 0.354 4.512 4.170 -0.021 0.000 0.285 177 I C -0.468 175.747 176.117 0.164 0.000 1.039 177 I CA -0.534 60.839 61.300 0.121 0.000 1.074 177 I CB 2.107 40.208 38.000 0.169 0.000 1.228 177 I HN -0.194 8.016 8.210 -0.000 0.000 0.436 178 Q N 6.520 126.413 119.800 0.156 0.000 2.364 178 Q HA 0.349 4.677 4.340 -0.021 0.000 0.257 178 Q C -1.553 174.365 176.000 -0.136 0.000 0.956 178 Q CA -0.859 54.963 55.803 0.031 0.000 0.924 178 Q CB 2.106 30.819 28.738 -0.041 0.000 1.413 178 Q HN 0.502 8.772 8.270 -0.000 0.000 0.418 179 K N 1.600 121.819 120.400 -0.302 0.000 2.380 179 K HA 0.131 4.439 4.320 -0.021 0.000 0.267 179 K C 0.165 176.484 176.600 -0.469 0.000 0.990 179 K CA 0.565 56.541 56.287 -0.517 0.000 0.946 179 K CB 0.491 32.673 32.500 -0.530 0.000 0.937 179 K HN 0.720 8.970 8.250 -0.000 0.000 0.491 180 T N -0.217 113.964 114.554 -0.621 0.000 2.802 180 T HA 0.027 4.364 4.350 -0.021 0.000 0.305 180 T C 0.190 174.602 174.700 -0.479 0.000 1.053 180 T CA -0.934 60.719 62.100 -0.745 0.000 1.058 180 T CB 0.446 68.728 68.868 -0.976 0.000 0.988 180 T HN 0.341 8.581 8.240 -0.000 0.000 0.539 181 D N 0.209 120.314 120.400 -0.492 0.000 2.368 181 D HA 0.339 4.967 4.640 -0.021 0.000 0.240 181 D C 1.475 177.725 176.300 -0.084 0.000 1.169 181 D CA 0.039 53.896 54.000 -0.239 0.000 0.906 181 D CB 0.460 41.149 40.800 -0.185 0.000 1.187 181 D HN 0.702 9.072 8.370 -0.000 0.000 0.435 182 A N 2.153 124.950 122.820 -0.039 0.000 1.986 182 A HA -0.238 4.069 4.320 -0.021 0.000 0.220 182 A C 1.490 179.106 177.584 0.053 0.000 1.171 182 A CA 1.625 53.660 52.037 -0.003 0.000 0.640 182 A CB -0.559 18.436 19.000 -0.009 0.000 0.811 182 A HN 0.661 8.811 8.150 -0.000 0.000 0.451 183 N N -2.035 116.733 118.700 0.112 0.000 2.398 183 N HA -0.001 4.727 4.740 -0.021 0.000 0.188 183 N C -0.191 175.402 175.510 0.138 0.000 1.122 183 N CA -0.117 53.001 53.050 0.112 0.000 0.866 183 N CB -0.239 38.302 38.487 0.091 0.000 0.970 183 N HN 0.542 8.922 8.380 -0.000 0.000 0.462 184 W N 1.896 123.143 121.300 -0.089 0.000 2.415 184 W HA 0.523 5.170 4.660 -0.021 0.000 0.355 184 W C -1.786 174.706 176.519 -0.044 0.000 1.161 184 W CA -1.789 55.505 57.345 -0.085 0.000 1.315 184 W CB 0.144 29.455 29.460 -0.249 0.000 1.261 184 W HN -0.159 8.021 8.180 -0.000 0.000 0.636 185 P HA -0.077 4.343 4.420 -0.000 0.000 0.270 185 P C -0.384 177.026 177.300 0.184 0.000 1.223 185 P CA 0.039 63.301 63.100 0.270 0.000 0.785 185 P CB 0.679 32.632 31.700 0.421 0.000 0.923 186 D N 1.591 122.079 120.400 0.146 0.000 2.383 186 D HA 0.237 4.865 4.640 -0.021 0.000 0.245 186 D C -0.698 175.686 176.300 0.141 0.000 1.263 186 D CA -0.026 53.998 54.000 0.039 0.000 0.936 186 D CB -1.091 39.738 40.800 0.048 0.000 1.053 186 D HN 0.222 8.592 8.370 -0.000 0.000 0.507 187 F N 1.300 121.237 119.950 -0.023 0.000 2.643 187 F HA 0.517 5.031 4.527 -0.021 0.000 0.314 187 F C -1.443 174.253 175.800 -0.173 0.000 1.096 187 F CA -1.498 56.478 58.000 -0.040 0.000 0.953 187 F CB 0.729 39.742 39.000 0.023 0.000 1.345 187 F HN -0.089 8.211 8.300 -0.000 0.000 0.468 188 Y N 1.988 122.311 120.300 0.039 0.000 2.359 188 Y HA 0.451 4.990 4.550 -0.018 0.000 0.334 188 Y C 0.501 176.348 175.900 -0.088 0.000 1.058 188 Y CA -0.175 57.828 58.100 -0.162 0.000 1.244 188 Y CB 0.871 39.070 38.460 -0.435 0.000 1.187 188 Y HN 0.415 8.695 8.280 -0.000 0.000 0.510 189 R N 4.557 125.035 120.500 -0.037 0.000 2.340 189 R HA 0.384 4.712 4.340 -0.021 0.000 0.300 189 R C -1.177 175.077 176.300 -0.077 0.000 1.069 189 R CA -0.388 55.683 56.100 -0.049 0.000 0.984 189 R CB 0.487 30.674 30.300 -0.188 0.000 1.003 189 R HN 0.585 8.855 8.270 -0.000 0.000 0.459 190 L N 3.751 124.903 121.223 -0.119 0.000 2.294 190 L HA 0.318 4.645 4.340 -0.021 0.000 0.283 190 L C -0.193 176.600 176.870 -0.128 0.000 1.015 190 L CA -0.278 54.488 54.840 -0.124 0.000 0.831 190 L CB 1.409 43.385 42.059 -0.139 0.000 1.217 190 L HN 0.501 8.731 8.230 -0.000 0.000 0.420 191 Q N 4.765 124.507 119.800 -0.097 0.000 2.798 191 Q HA 0.258 4.585 4.340 -0.021 0.000 0.250 191 Q C -1.958 173.995 176.000 -0.079 0.000 1.006 191 Q CA -1.497 54.235 55.803 -0.119 0.000 0.759 191 Q CB 1.893 30.557 28.738 -0.124 0.000 1.201 191 Q HN 0.358 8.628 8.270 -0.000 0.000 0.486 192 P HA 0.022 4.442 4.420 -0.000 0.000 0.255 192 P C 0.245 177.544 177.300 -0.002 0.000 1.248 192 P CA 0.143 63.244 63.100 0.001 0.000 0.807 192 P CB 0.439 32.135 31.700 -0.007 0.000 1.150 193 L N -1.149 119.974 121.223 -0.167 0.000 2.808 193 L HA 0.278 4.605 4.340 -0.021 0.000 0.246 193 L C 1.751 178.458 176.870 -0.272 0.000 1.153 193 L CA 0.293 54.916 54.840 -0.361 0.000 0.956 193 L CB -0.612 41.148 42.059 -0.498 0.000 1.270 193 L HN -0.194 8.036 8.230 -0.000 0.000 0.528 194 L N -0.195 120.921 121.223 -0.179 0.000 2.079 194 L HA -0.227 4.100 4.340 -0.021 0.000 0.210 194 L C 2.396 179.175 176.870 -0.152 0.000 1.081 194 L CA 1.457 56.106 54.840 -0.318 0.000 0.752 194 L CB -0.724 40.993 42.059 -0.570 0.000 0.896 194 L HN 0.535 8.765 8.230 -0.000 0.000 0.433 195 H N -2.881 116.233 119.070 0.073 0.000 2.555 195 H HA -0.059 4.484 4.556 -0.021 0.000 0.269 195 H C 0.070 175.464 175.328 0.110 0.000 0.988 195 H CA -0.435 55.688 56.048 0.125 0.000 1.178 195 H CB -0.662 29.143 29.762 0.073 0.000 1.373 195 H HN 0.185 8.465 8.280 -0.000 0.000 0.588 196 W N 3.068 124.103 121.300 -0.442 0.000 2.190 196 W HA 0.209 4.855 4.660 -0.023 0.000 0.330 196 W C 0.394 176.823 176.519 -0.149 0.000 1.299 196 W CA -0.176 56.996 57.345 -0.288 0.000 1.215 196 W CB 0.437 29.690 29.460 -0.346 0.000 1.147 196 W HN 0.078 8.258 8.180 -0.000 0.000 0.563 197 N N 2.007 120.748 118.700 0.069 0.000 2.471 197 N HA 0.198 4.925 4.740 -0.021 0.000 0.288 197 N C 0.730 176.262 175.510 0.036 0.000 1.220 197 N CA -0.736 52.341 53.050 0.045 0.000 0.893 197 N CB 1.111 39.617 38.487 0.033 0.000 1.256 197 N HN 0.306 8.686 8.380 -0.000 0.000 0.534 198 L N 1.901 123.124 121.223 -0.001 0.000 2.043 198 L HA -0.142 4.186 4.340 -0.021 0.000 0.212 198 L C 2.064 178.910 176.870 -0.040 0.000 1.075 198 L CA 2.003 56.779 54.840 -0.107 0.000 0.752 198 L CB -1.019 41.025 42.059 -0.025 0.000 0.891 198 L HN 0.743 8.973 8.230 -0.000 0.000 0.432 199 A N -0.464 122.471 122.820 0.193 0.000 1.940 199 A HA -0.275 4.033 4.320 -0.021 0.000 0.219 199 A C 2.037 179.811 177.584 0.316 0.000 1.176 199 A CA 2.223 54.520 52.037 0.432 0.000 0.631 199 A CB -1.050 18.182 19.000 0.387 0.000 0.814 199 A HN 0.728 8.878 8.150 -0.000 0.000 0.446 200 N N -0.024 118.770 118.700 0.156 0.000 2.171 200 N HA -0.061 4.666 4.740 -0.021 0.000 0.184 200 N C 1.528 177.211 175.510 0.288 0.000 1.021 200 N CA 1.264 54.373 53.050 0.099 0.000 0.854 200 N CB -0.197 38.154 38.487 -0.227 0.000 0.994 200 N HN 0.340 8.720 8.380 -0.000 0.000 0.426 201 I N 0.547 121.256 120.570 0.232 0.000 2.091 201 I HA -0.279 3.878 4.170 -0.021 0.000 0.239 201 I C 1.869 177.958 176.117 -0.046 0.000 1.061 201 I CA 1.585 62.909 61.300 0.039 0.000 1.317 201 I CB -1.260 36.543 38.000 -0.328 0.000 1.031 201 I HN 0.349 8.559 8.210 -0.000 0.000 0.401 202 W N 0.854 122.072 121.300 -0.137 0.000 2.335 202 W HA -0.236 4.412 4.660 -0.021 0.000 0.311 202 W C 3.137 179.313 176.519 -0.571 0.000 1.213 202 W CA 1.081 58.160 57.345 -0.445 0.000 1.274 202 W CB -0.689 28.310 29.460 -0.769 0.000 1.148 202 W HN 0.086 8.266 8.180 -0.000 0.000 0.498 203 S N 0.250 115.810 115.700 -0.234 0.000 2.353 203 S HA -0.282 4.175 4.470 -0.021 0.000 0.222 203 S C 1.768 176.542 174.600 0.291 0.000 1.035 203 S CA 1.693 59.950 58.200 0.094 0.000 1.025 203 S CB -0.746 62.729 63.200 0.458 0.000 0.902 203 S HN 0.227 8.537 8.310 -0.000 0.000 0.440 204 F N 1.877 121.856 119.950 0.049 0.000 2.102 204 F HA 0.072 4.586 4.527 -0.022 0.000 0.298 204 F C 2.017 177.860 175.800 0.072 0.000 1.105 204 F CA 1.367 59.321 58.000 -0.078 0.000 1.239 204 F CB -0.570 38.381 39.000 -0.082 0.000 0.991 204 F HN 0.198 8.498 8.300 -0.000 0.000 0.474 205 L N -0.377 120.880 121.223 0.057 0.000 2.012 205 L HA -0.279 4.048 4.340 -0.021 0.000 0.210 205 L C 2.507 179.319 176.870 -0.098 0.000 1.073 205 L CA 1.494 56.305 54.840 -0.049 0.000 0.748 205 L CB -0.762 41.317 42.059 0.034 0.000 0.891 205 L HN 0.236 8.466 8.230 -0.000 0.000 0.431 206 L N -1.788 119.374 121.223 -0.101 0.000 2.017 206 L HA -0.281 4.047 4.340 -0.021 0.000 0.208 206 L C 2.569 179.415 176.870 -0.040 0.000 1.073 206 L CA 1.339 56.072 54.840 -0.178 0.000 0.745 206 L CB -0.710 41.178 42.059 -0.285 0.000 0.894 206 L HN 0.201 8.431 8.230 -0.000 0.000 0.432 207 Y N 0.981 121.282 120.300 0.003 0.000 2.207 207 Y HA -0.323 4.214 4.550 -0.022 0.000 0.287 207 Y C 2.925 178.837 175.900 0.021 0.000 1.156 207 Y CA 1.588 59.749 58.100 0.103 0.000 1.182 207 Y CB -0.266 38.419 38.460 0.374 0.000 0.979 207 Y HN 0.287 8.567 8.280 -0.000 0.000 0.521 208 S N 0.076 115.672 115.700 -0.173 0.000 2.419 208 S HA -0.244 4.214 4.470 -0.021 0.000 0.233 208 S C 1.394 175.973 174.600 -0.035 0.000 1.016 208 S CA 1.147 59.200 58.200 -0.245 0.000 0.974 208 S CB -0.661 62.316 63.200 -0.372 0.000 0.786 208 S HN 0.716 9.026 8.310 -0.000 0.000 0.492 209 N N 0.858 119.522 118.700 -0.061 0.000 2.714 209 N HA -0.141 4.586 4.740 -0.021 0.000 0.250 209 N C -0.947 174.533 175.510 -0.050 0.000 1.117 209 N CA 1.059 54.087 53.050 -0.036 0.000 0.719 209 N CB -1.448 37.049 38.487 0.017 0.000 1.081 209 N HN 0.635 9.015 8.380 -0.000 0.000 0.557 210 E N 0.036 120.250 120.200 0.023 0.000 2.318 210 E HA 0.430 4.767 4.350 -0.021 0.000 0.265 210 E C -2.123 174.543 176.600 0.109 0.000 1.069 210 E CA -1.554 54.900 56.400 0.090 0.000 0.893 210 E CB 0.356 30.173 29.700 0.195 0.000 1.076 210 E HN 0.216 8.576 8.360 -0.000 0.000 0.414 211 P HA 0.194 4.614 4.420 -0.000 0.000 0.276 211 P C -0.368 177.204 177.300 0.453 0.000 1.230 211 P CA 0.042 63.297 63.100 0.258 0.000 0.776 211 P CB 0.301 32.148 31.700 0.246 0.000 0.888 212 I N -0.608 120.142 120.570 0.300 0.000 2.846 212 I HA 0.518 4.675 4.170 -0.021 0.000 0.307 212 I C -0.399 175.477 176.117 -0.401 0.000 1.053 212 I CA -1.446 59.905 61.300 0.084 0.000 1.050 212 I CB 1.892 39.998 38.000 0.178 0.000 1.239 212 I HN 0.268 8.478 8.210 -0.000 0.000 0.439 213 C N 4.145 122.831 119.300 -1.023 0.000 2.601 213 C HA 0.068 4.515 4.460 -0.021 0.000 0.405 213 C C 1.731 176.506 174.990 -0.357 0.000 1.441 213 C CA 0.052 58.437 59.018 -1.055 0.000 1.555 213 C CB -0.762 26.386 27.740 -0.988 0.000 2.450 213 C HN 0.887 9.117 8.230 -0.000 0.000 0.614 214 E N 3.393 123.488 120.200 -0.174 0.000 2.409 214 E HA -0.109 4.228 4.350 -0.021 0.000 0.198 214 E C 1.873 178.512 176.600 0.066 0.000 1.024 214 E CA 0.812 57.246 56.400 0.056 0.000 0.861 214 E CB 0.006 29.794 29.700 0.147 0.000 0.788 214 E HN 0.838 9.198 8.360 -0.000 0.000 0.521 215 L N -0.180 120.902 121.223 -0.236 0.000 2.127 215 L HA -0.225 4.103 4.340 -0.021 0.000 0.211 215 L C 2.147 179.031 176.870 0.024 0.000 1.089 215 L CA 1.122 55.786 54.840 -0.294 0.000 0.757 215 L CB -0.639 40.866 42.059 -0.924 0.000 0.899 215 L HN 0.150 8.380 8.230 -0.000 0.000 0.434 216 Y N -0.236 120.152 120.300 0.147 0.000 2.207 216 Y HA -0.263 4.275 4.550 -0.021 0.000 0.287 216 Y C 2.750 178.663 175.900 0.023 0.000 1.156 216 Y CA 1.205 59.433 58.100 0.214 0.000 1.182 216 Y CB -0.650 38.057 38.460 0.412 0.000 0.979 216 Y HN 0.095 8.375 8.280 -0.000 0.000 0.521 217 R N -0.258 120.392 120.500 0.251 0.000 2.193 217 R HA -0.144 4.183 4.340 -0.021 0.000 0.229 217 R C 0.946 177.127 176.300 -0.199 0.000 1.110 217 R CA 1.391 57.480 56.100 -0.019 0.000 0.988 217 R CB -0.934 29.474 30.300 0.181 0.000 0.871 217 R HN 0.436 8.706 8.270 -0.000 0.000 0.458 218 Y N -1.649 118.647 120.300 -0.007 0.000 2.468 218 Y HA 0.293 4.830 4.550 -0.021 0.000 0.268 218 Y C 1.391 177.228 175.900 -0.105 0.000 1.177 218 Y CA 0.420 58.514 58.100 -0.010 0.000 1.265 218 Y CB 1.067 39.566 38.460 0.064 0.000 1.103 218 Y HN 0.295 8.575 8.280 -0.000 0.000 0.522 219 G N -0.891 107.896 108.800 -0.022 0.000 2.192 219 G HA2 -0.240 3.708 3.960 -0.021 0.000 0.193 219 G HA3 -0.240 3.708 3.960 -0.021 0.000 0.193 219 G C -0.056 174.730 174.900 -0.190 0.000 0.999 219 G CA -0.764 44.246 45.100 -0.150 0.000 0.659 219 G HN 0.125 8.415 8.290 -0.000 0.000 0.503 220 F N 1.942 121.871 119.950 -0.036 0.000 2.484 220 F HA 0.450 4.964 4.527 -0.021 0.000 0.360 220 F C 1.918 177.900 175.800 0.303 0.000 1.101 220 F CA 1.164 59.186 58.000 0.035 0.000 1.251 220 F CB 1.575 40.506 39.000 -0.116 0.000 1.132 220 F HN 0.088 8.388 8.300 -0.000 0.000 0.570 221 T N -2.368 112.468 114.554 0.469 0.000 2.985 221 T HA 0.231 4.569 4.350 -0.021 0.000 0.254 221 T C 0.356 175.345 174.700 0.482 0.000 1.021 221 T CA 0.084 62.507 62.100 0.538 0.000 0.957 221 T CB 0.252 69.357 68.868 0.394 0.000 1.047 221 T HN 0.444 8.684 8.240 -0.000 0.000 0.511 222 S N 0.100 116.067 115.700 0.445 0.000 2.607 222 S HA 0.717 5.174 4.470 -0.021 0.000 0.273 222 S C -2.064 172.708 174.600 0.287 0.000 1.148 222 S CA -0.941 57.464 58.200 0.343 0.000 0.833 222 S CB 1.292 64.634 63.200 0.238 0.000 1.130 222 S HN 0.349 8.659 8.310 -0.000 0.000 0.470 223 L N 3.485 124.821 121.223 0.188 0.000 2.454 223 L HA 0.475 4.802 4.340 -0.021 0.000 0.258 223 L C 1.064 178.061 176.870 0.213 0.000 1.025 223 L CA -0.678 54.214 54.840 0.086 0.000 0.901 223 L CB 1.013 43.017 42.059 -0.092 0.000 1.210 223 L HN 0.900 9.130 8.230 -0.000 0.000 0.457 224 G N 2.694 111.658 108.800 0.274 0.000 2.670 224 G HA2 0.057 4.005 3.960 -0.021 0.000 0.219 224 G HA3 0.057 4.005 3.960 -0.021 0.000 0.219 224 G C 0.132 175.122 174.900 0.150 0.000 1.342 224 G CA 0.493 45.708 45.100 0.191 0.000 0.902 224 G HN 0.638 8.928 8.290 -0.000 0.000 0.553 225 N N -2.094 116.663 118.700 0.094 0.000 2.825 225 N HA 0.307 5.034 4.740 -0.021 0.000 0.253 225 N C 0.564 175.834 175.510 -0.400 0.000 1.426 225 N CA -0.042 52.936 53.050 -0.121 0.000 0.851 225 N CB 1.588 40.016 38.487 -0.098 0.000 1.470 225 N HN 0.412 8.792 8.380 -0.000 0.000 0.517 226 V N -2.645 116.847 119.914 -0.704 0.000 2.490 226 V HA -0.171 3.936 4.120 -0.021 0.000 0.250 226 V C 1.836 177.731 176.094 -0.332 0.000 1.061 226 V CA 1.975 63.760 62.300 -0.859 0.000 1.064 226 V CB -1.033 30.408 31.823 -0.636 0.000 0.670 226 V HN 0.868 9.058 8.190 -0.000 0.000 0.461 227 E N 2.587 122.673 120.200 -0.190 0.000 2.112 227 E HA -0.240 4.097 4.350 -0.021 0.000 0.190 227 E C 2.039 178.628 176.600 -0.019 0.000 0.979 227 E CA 1.617 57.969 56.400 -0.080 0.000 0.814 227 E CB -0.298 29.366 29.700 -0.059 0.000 0.762 227 E HN 0.933 9.293 8.360 -0.000 0.000 0.460 228 E N 0.986 121.186 120.200 0.001 0.000 2.364 228 E HA 0.063 4.401 4.350 -0.021 0.000 0.196 228 E C 0.053 176.725 176.600 0.119 0.000 0.990 228 E CA 0.177 56.608 56.400 0.053 0.000 0.886 228 E CB 0.089 29.818 29.700 0.047 0.000 0.866 228 E HN -0.078 8.282 8.360 -0.000 0.000 0.493 229 T N 1.989 116.662 114.554 0.199 0.000 2.806 229 T HA 0.503 4.840 4.350 -0.021 0.000 0.290 229 T C -0.292 174.681 174.700 0.455 0.000 0.966 229 T CA -0.381 61.938 62.100 0.365 0.000 1.060 229 T CB 1.289 70.490 68.868 0.555 0.000 0.927 229 T HN 0.086 8.326 8.240 -0.000 0.000 0.485 230 L N 3.576 124.941 121.223 0.236 0.000 2.309 230 L HA 0.519 4.847 4.340 -0.021 0.000 0.261 230 L C -2.424 174.077 176.870 -0.615 0.000 1.021 230 L CA -3.000 51.798 54.840 -0.070 0.000 0.823 230 L CB 2.203 44.218 42.059 -0.073 0.000 1.366 230 L HN 0.333 8.563 8.230 -0.000 0.000 0.423 231 P HA -0.048 4.372 4.420 -0.000 0.000 0.268 231 P C -0.918 175.989 177.300 -0.655 0.000 1.208 231 P CA -0.143 62.144 63.100 -1.355 0.000 0.777 231 P CB 0.322 30.904 31.700 -1.863 0.000 0.875 232 N N 3.539 122.038 118.700 -0.334 0.000 2.452 232 N HA 0.024 4.751 4.740 -0.021 0.000 0.266 232 N C -1.338 174.245 175.510 0.122 0.000 1.175 232 N CA -1.664 51.380 53.050 -0.010 0.000 0.945 232 N CB 0.414 38.973 38.487 0.120 0.000 1.063 232 N HN 0.240 8.620 8.380 -0.000 0.000 0.472 233 P HA -0.138 4.282 4.420 -0.000 0.000 0.220 233 P C 0.712 177.994 177.300 -0.029 0.000 1.148 233 P CA 1.297 64.427 63.100 0.051 0.000 0.803 233 P CB 0.103 31.744 31.700 -0.098 0.000 0.782 234 H N -0.409 118.727 119.070 0.111 0.000 2.521 234 H HA 0.074 4.618 4.556 -0.021 0.000 0.286 234 H C 1.733 177.123 175.328 0.103 0.000 1.034 234 H CA 0.831 56.932 56.048 0.089 0.000 1.278 234 H CB -0.150 29.659 29.762 0.078 0.000 1.386 234 H HN 0.253 8.533 8.280 -0.000 0.000 0.567 235 L N 0.467 121.843 121.223 0.255 0.000 2.667 235 L HA 0.146 4.474 4.340 -0.021 0.000 0.232 235 L C 1.113 178.136 176.870 0.255 0.000 1.138 235 L CA -0.144 54.861 54.840 0.275 0.000 0.921 235 L CB 0.348 42.563 42.059 0.261 0.000 1.180 235 L HN -0.075 8.155 8.230 -0.000 0.000 0.487 236 R N 2.185 122.730 120.500 0.076 0.000 2.489 236 R HA 0.077 4.404 4.340 -0.021 0.000 0.287 236 R C -0.173 175.995 176.300 -0.220 0.000 1.053 236 R CA 0.082 55.959 56.100 -0.372 0.000 1.036 236 R CB 0.551 30.634 30.300 -0.362 0.000 0.966 236 R HN 0.065 8.335 8.270 -0.000 0.000 0.432 237 K N 2.969 123.143 120.400 -0.376 0.000 2.276 237 K HA 0.090 4.397 4.320 -0.021 0.000 0.283 237 K C -0.700 175.780 176.600 -0.200 0.000 1.044 237 K CA -0.180 55.939 56.287 -0.280 0.000 0.944 237 K CB 0.876 33.113 32.500 -0.437 0.000 1.012 237 K HN 0.511 8.761 8.250 -0.000 0.000 0.472 238 D N 2.292 122.628 120.400 -0.107 0.000 2.966 238 D HA 0.076 4.704 4.640 -0.021 0.000 0.222 238 D C 0.220 176.491 176.300 -0.048 0.000 1.292 238 D CA -0.387 53.565 54.000 -0.081 0.000 0.907 238 D CB 1.280 42.042 40.800 -0.064 0.000 1.621 238 D HN 0.335 8.705 8.370 -0.000 0.000 0.557 239 K N 1.469 121.839 120.400 -0.051 0.000 2.293 239 K HA -0.129 4.179 4.320 -0.021 0.000 0.204 239 K C 0.794 177.383 176.600 -0.018 0.000 1.045 239 K CA 1.013 57.280 56.287 -0.034 0.000 0.933 239 K CB 0.138 32.618 32.500 -0.035 0.000 0.736 239 K HN 0.308 8.558 8.250 -0.000 0.000 0.463 240 N N 0.081 118.770 118.700 -0.018 0.000 2.230 240 N HA 0.047 4.775 4.740 -0.021 0.000 0.202 240 N C -0.344 175.164 175.510 -0.002 0.000 1.119 240 N CA 0.131 53.175 53.050 -0.010 0.000 0.851 240 N CB 0.977 39.456 38.487 -0.014 0.000 0.990 240 N HN -0.088 8.292 8.380 -0.000 0.000 0.497 241 S N 0.118 115.820 115.700 0.003 0.000 2.593 241 S HA 0.340 4.797 4.470 -0.021 0.000 0.297 241 S C 0.107 174.723 174.600 0.026 0.000 1.112 241 S CA -0.480 57.730 58.200 0.016 0.000 1.043 241 S CB 1.778 64.992 63.200 0.023 0.000 1.054 241 S HN 0.030 8.340 8.310 -0.000 0.000 0.516 242 T N 5.249 119.818 114.554 0.025 0.000 2.867 242 T HA 0.180 4.517 4.350 -0.021 0.000 0.297 242 T C -2.073 172.649 174.700 0.038 0.000 0.989 242 T CA -0.666 61.450 62.100 0.026 0.000 1.159 242 T CB -0.187 68.691 68.868 0.016 0.000 0.928 242 T HN 0.401 8.641 8.240 -0.000 0.000 0.538 243 P HA 0.118 4.538 4.420 -0.000 0.000 0.266 243 P C -0.284 177.014 177.300 -0.002 0.000 1.195 243 P CA -0.230 62.932 63.100 0.103 0.000 0.768 243 P CB 0.563 32.338 31.700 0.124 0.000 0.838 244 L N 2.400 123.501 121.223 -0.203 0.000 2.395 244 L HA 0.280 4.607 4.340 -0.021 0.000 0.269 244 L C 1.120 177.958 176.870 -0.054 0.000 1.133 244 L CA -0.424 54.252 54.840 -0.275 0.000 0.812 244 L CB 0.218 41.892 42.059 -0.641 0.000 1.125 244 L HN 0.292 8.522 8.230 -0.000 0.000 0.452 245 K N 1.958 122.359 120.400 0.002 0.000 2.110 245 K HA 0.459 4.767 4.320 -0.021 0.000 0.263 245 K C -0.864 175.690 176.600 -0.076 0.000 0.975 245 K CA -0.839 55.463 56.287 0.026 0.000 0.895 245 K CB 1.688 34.175 32.500 -0.022 0.000 1.060 245 K HN 0.210 8.460 8.250 -0.000 0.000 0.448 246 L N 2.819 123.958 121.223 -0.140 0.000 2.264 246 L HA 0.215 4.543 4.340 -0.021 0.000 0.289 246 L C 0.265 176.938 176.870 -0.327 0.000 1.044 246 L CA 0.264 54.854 54.840 -0.416 0.000 0.807 246 L CB 0.718 42.618 42.059 -0.265 0.000 1.192 246 L HN 0.575 8.805 8.230 -0.000 0.000 0.425 247 N N 3.833 122.192 118.700 -0.568 0.000 2.336 247 N HA 0.045 4.773 4.740 -0.021 0.000 0.189 247 N C -0.222 174.788 175.510 -0.834 0.000 1.113 247 N CA 0.652 53.249 53.050 -0.754 0.000 0.858 247 N CB 0.242 38.124 38.487 -1.010 0.000 0.970 247 N HN 0.568 8.948 8.380 -0.000 0.000 0.471 248 F N 0.566 120.527 119.950 0.020 0.000 2.791 248 F HA 0.356 4.870 4.527 -0.021 0.000 0.308 248 F C 1.561 177.414 175.800 0.088 0.000 1.138 248 F CA -0.716 57.333 58.000 0.083 0.000 1.294 248 F CB 0.162 39.200 39.000 0.062 0.000 0.975 248 F HN -0.153 8.147 8.300 -0.000 0.000 0.512 249 E N 0.139 120.435 120.200 0.160 0.000 2.058 249 E HA -0.277 4.060 4.350 -0.021 0.000 0.194 249 E C 1.646 178.351 176.600 0.175 0.000 0.997 249 E CA 1.923 58.407 56.400 0.140 0.000 0.801 249 E CB -0.181 29.579 29.700 0.101 0.000 0.746 249 E HN 0.667 9.027 8.360 -0.000 0.000 0.450 250 W N 1.913 123.260 121.300 0.079 0.000 2.355 250 W HA -0.203 4.444 4.660 -0.022 0.000 0.309 250 W C 1.987 178.587 176.519 0.135 0.000 1.206 250 W CA 1.807 59.202 57.345 0.083 0.000 1.284 250 W CB 0.089 29.580 29.460 0.050 0.000 1.145 250 W HN -0.019 8.161 8.180 -0.000 0.000 0.502 251 E N 0.309 120.840 120.200 0.552 0.000 2.085 251 E HA -0.254 4.083 4.350 -0.021 0.000 0.194 251 E C 1.997 178.701 176.600 0.173 0.000 0.994 251 E CA 2.353 59.059 56.400 0.511 0.000 0.801 251 E CB -0.622 29.410 29.700 0.553 0.000 0.743 251 E HN 0.360 8.720 8.360 -0.000 0.000 0.453 252 I N 0.697 121.318 120.570 0.085 0.000 2.202 252 I HA -0.233 3.925 4.170 -0.021 0.000 0.242 252 I C 2.096 178.154 176.117 -0.098 0.000 1.091 252 I CA 1.207 62.490 61.300 -0.029 0.000 1.368 252 I CB -0.200 37.794 38.000 -0.011 0.000 1.058 252 I HN 0.087 8.297 8.210 -0.000 0.000 0.410 253 E N 0.647 120.768 120.200 -0.133 0.000 2.204 253 E HA -0.127 4.211 4.350 -0.021 0.000 0.195 253 E C 0.612 177.014 176.600 -0.330 0.000 0.990 253 E CA 0.752 57.030 56.400 -0.204 0.000 0.821 253 E CB 0.008 29.594 29.700 -0.189 0.000 0.750 253 E HN 0.489 8.849 8.360 -0.000 0.000 0.477 254 N N 1.129 119.528 118.700 -0.502 0.000 2.416 254 N HA 0.046 4.774 4.740 -0.021 0.000 0.267 254 N C -0.505 174.810 175.510 -0.325 0.000 1.294 254 N CA -0.091 52.602 53.050 -0.596 0.000 0.891 254 N CB 0.626 38.260 38.487 -1.422 0.000 1.238 254 N HN 0.165 8.545 8.380 -0.000 0.000 0.508 255 R N 0.042 120.387 120.500 -0.260 0.000 2.734 255 R HA 0.032 4.359 4.340 -0.021 0.000 0.266 255 R C -0.246 175.818 176.300 -0.393 0.000 1.044 255 R CA -0.271 55.619 56.100 -0.349 0.000 1.128 255 R CB 0.273 30.443 30.300 -0.216 0.000 1.010 255 R HN 0.017 8.287 8.270 -0.000 0.000 0.461 256 Y N 1.935 121.781 120.300 -0.756 0.000 2.729 256 Y HA -0.041 4.496 4.550 -0.021 0.000 0.331 256 Y C 0.130 175.944 175.900 -0.143 0.000 1.208 256 Y CA 0.612 58.427 58.100 -0.474 0.000 1.521 256 Y CB 0.465 38.636 38.460 -0.481 0.000 1.233 256 Y HN 0.508 8.788 8.280 -0.000 0.000 0.539 257 K N 5.607 125.644 120.400 -0.605 0.000 2.312 257 K HA 0.121 4.428 4.320 -0.021 0.000 0.287 257 K C -0.928 175.429 176.600 -0.405 0.000 1.062 257 K CA -0.434 55.648 56.287 -0.341 0.000 0.934 257 K CB 0.209 32.541 32.500 -0.280 0.000 1.027 257 K HN 0.735 8.985 8.250 -0.000 0.000 0.478 258 H N 1.390 120.330 119.070 -0.216 0.000 2.505 258 H HA 0.098 4.642 4.556 -0.020 0.000 0.351 258 H C 0.241 175.518 175.328 -0.085 0.000 1.151 258 H CA -0.464 55.530 56.048 -0.090 0.000 1.339 258 H CB 0.858 30.620 29.762 0.000 0.000 1.483 258 H HN 0.658 8.938 8.280 -0.000 0.000 0.558 259 N N 0.045 118.776 118.700 0.052 0.000 2.418 259 N HA 0.029 4.756 4.740 -0.021 0.000 0.283 259 N C 0.596 176.131 175.510 0.043 0.000 1.267 259 N CA -0.465 52.598 53.050 0.022 0.000 0.975 259 N CB 0.567 39.057 38.487 0.005 0.000 1.167 259 N HN 0.653 9.033 8.380 -0.000 0.000 0.581 260 E N -0.846 119.366 120.200 0.019 0.000 2.085 260 E HA -0.163 4.174 4.350 -0.021 0.000 0.194 260 E C 1.630 178.240 176.600 0.017 0.000 0.994 260 E CA 1.393 57.801 56.400 0.013 0.000 0.801 260 E CB -0.265 29.438 29.700 0.005 0.000 0.743 260 E HN 0.365 8.725 8.360 -0.000 0.000 0.453 261 V N 1.203 121.129 119.914 0.021 0.000 2.287 261 V HA -0.250 3.857 4.120 -0.021 0.000 0.248 261 V C 2.524 178.638 176.094 0.033 0.000 1.053 261 V CA 2.239 64.551 62.300 0.020 0.000 1.027 261 V CB -0.771 31.062 31.823 0.018 0.000 0.646 261 V HN 0.526 8.716 8.190 -0.000 0.000 0.447 262 T N -3.898 110.700 114.554 0.073 0.000 3.086 262 T HA 0.107 4.445 4.350 -0.021 0.000 0.250 262 T C 0.812 175.605 174.700 0.155 0.000 1.074 262 T CA -0.244 61.941 62.100 0.141 0.000 0.988 262 T CB -0.036 68.962 68.868 0.217 0.000 0.988 262 T HN 0.106 8.346 8.240 -0.000 0.000 0.530 263 K N 2.224 122.663 120.400 0.065 0.000 2.524 263 K HA 0.471 4.779 4.320 -0.021 0.000 0.279 263 K C 0.007 176.545 176.600 -0.102 0.000 0.993 263 K CA 0.236 56.502 56.287 -0.035 0.000 1.030 263 K CB 0.655 33.140 32.500 -0.025 0.000 0.891 263 K HN 0.548 8.798 8.250 -0.000 0.000 0.488 264 A N 3.639 126.342 122.820 -0.195 0.000 2.430 264 A HA 0.653 4.961 4.320 -0.021 0.000 0.300 264 A C -1.082 176.429 177.584 -0.122 0.000 1.124 264 A CA -0.645 51.296 52.037 -0.161 0.000 0.766 264 A CB 1.338 20.219 19.000 -0.198 0.000 1.328 264 A HN 0.696 8.846 8.150 -0.000 0.000 0.424 265 E N 0.385 120.542 120.200 -0.072 0.000 2.356 265 E HA 0.476 4.813 4.350 -0.021 0.000 0.275 265 E C -2.806 173.797 176.600 0.005 0.000 0.904 265 E CA -1.730 54.649 56.400 -0.035 0.000 0.757 265 E CB 2.145 31.831 29.700 -0.024 0.000 1.232 265 E HN 0.454 8.814 8.360 -0.000 0.000 0.442 266 P HA 0.118 4.538 4.420 -0.000 0.000 0.269 266 P C -0.793 176.557 177.300 0.084 0.000 1.215 266 P CA -0.236 62.913 63.100 0.082 0.000 0.780 266 P CB 0.532 32.287 31.700 0.091 0.000 0.898 267 I N 3.423 124.066 120.570 0.122 0.000 2.339 267 I HA 0.265 4.423 4.170 -0.021 0.000 0.290 267 I C -1.966 174.215 176.117 0.107 0.000 0.994 267 I CA -3.097 58.264 61.300 0.102 0.000 1.191 267 I CB 0.778 38.842 38.000 0.106 0.000 1.343 267 I HN 0.229 8.439 8.210 -0.000 0.000 0.458 268 P HA 0.146 4.566 4.420 -0.000 0.000 0.268 268 P C 0.080 177.411 177.300 0.053 0.000 1.208 268 P CA -0.222 62.933 63.100 0.091 0.000 0.777 268 P CB 0.725 32.470 31.700 0.074 0.000 0.875 269 I N -1.325 119.254 120.570 0.016 0.000 2.993 269 I HA 0.322 4.479 4.170 -0.021 0.000 0.286 269 I C 0.429 176.509 176.117 -0.061 0.000 1.215 269 I CA -0.884 60.370 61.300 -0.077 0.000 1.393 269 I CB 0.077 37.927 38.000 -0.250 0.000 1.371 269 I HN 0.300 8.510 8.210 -0.000 0.000 0.602 270 A N 3.540 126.326 122.820 -0.056 0.000 2.531 270 A HA 0.063 4.371 4.320 -0.021 0.000 0.236 270 A C 1.015 178.574 177.584 -0.041 0.000 1.062 270 A CA 0.270 52.290 52.037 -0.028 0.000 0.760 270 A CB -0.161 18.834 19.000 -0.008 0.000 0.995 270 A HN 0.973 9.123 8.150 -0.000 0.000 0.501 271 D N 1.724 122.111 120.400 -0.021 0.000 2.133 271 D HA -0.351 4.277 4.640 -0.021 0.000 0.192 271 D C 1.470 177.757 176.300 -0.021 0.000 1.001 271 D CA 2.019 56.007 54.000 -0.019 0.000 0.844 271 D CB -0.512 40.285 40.800 -0.005 0.000 0.944 271 D HN 0.865 9.235 8.370 -0.000 0.000 0.447 272 E N 0.572 120.765 120.200 -0.011 0.000 2.110 272 E HA -0.244 4.093 4.350 -0.021 0.000 0.193 272 E C 1.166 177.765 176.600 -0.001 0.000 0.988 272 E CA 1.439 57.837 56.400 -0.003 0.000 0.804 272 E CB -0.274 29.427 29.700 0.003 0.000 0.745 272 E HN 0.214 8.574 8.360 -0.000 0.000 0.458 273 D N 0.814 121.207 120.400 -0.011 0.000 2.149 273 D HA -0.090 4.537 4.640 -0.021 0.000 0.201 273 D C 2.057 178.306 176.300 -0.086 0.000 0.972 273 D CA 0.575 54.566 54.000 -0.015 0.000 0.835 273 D CB -0.232 40.538 40.800 -0.051 0.000 0.966 273 D HN 0.183 8.553 8.370 -0.000 0.000 0.476 274 L N 0.877 122.018 121.223 -0.137 0.000 2.042 274 L HA -0.150 4.177 4.340 -0.021 0.000 0.210 274 L C 2.191 179.025 176.870 -0.061 0.000 1.076 274 L CA 1.251 55.997 54.840 -0.156 0.000 0.749 274 L CB -0.357 41.627 42.059 -0.124 0.000 0.893 274 L HN -0.148 8.082 8.230 -0.000 0.000 0.432 275 V N -0.319 119.576 119.914 -0.032 0.000 2.332 275 V HA -0.323 3.784 4.120 -0.021 0.000 0.248 275 V C 2.578 178.664 176.094 -0.014 0.000 1.055 275 V CA 2.109 64.401 62.300 -0.014 0.000 1.038 275 V CB -0.707 31.113 31.823 -0.005 0.000 0.651 275 V HN 0.471 8.661 8.190 -0.000 0.000 0.450 276 K N -0.275 120.126 120.400 0.002 0.000 2.026 276 K HA -0.104 4.203 4.320 -0.021 0.000 0.208 276 K C 2.065 178.676 176.600 0.019 0.000 1.048 276 K CA 1.609 57.910 56.287 0.024 0.000 0.929 276 K CB -0.321 32.226 32.500 0.078 0.000 0.713 276 K HN 0.376 8.626 8.250 -0.000 0.000 0.439 277 I N 1.398 121.982 120.570 0.022 0.000 2.179 277 I HA -0.272 3.886 4.170 -0.021 0.000 0.242 277 I C 2.163 178.289 176.117 0.014 0.000 1.088 277 I CA 1.441 62.758 61.300 0.028 0.000 1.357 277 I CB -0.198 37.818 38.000 0.026 0.000 1.051 277 I HN 0.193 8.403 8.210 -0.000 0.000 0.409 278 E N 0.582 120.780 120.200 -0.004 0.000 2.110 278 E HA -0.219 4.118 4.350 -0.021 0.000 0.193 278 E C 1.784 178.288 176.600 -0.161 0.000 0.988 278 E CA 1.052 57.441 56.400 -0.018 0.000 0.804 278 E CB -0.174 29.532 29.700 0.009 0.000 0.745 278 E HN 0.415 8.775 8.360 -0.000 0.000 0.458 279 N N 0.685 119.273 118.700 -0.186 0.000 2.348 279 N HA -0.130 4.597 4.740 -0.021 0.000 0.185 279 N C 1.623 176.814 175.510 -0.531 0.000 1.019 279 N CA 0.703 53.542 53.050 -0.352 0.000 0.880 279 N CB -0.101 38.300 38.487 -0.144 0.000 0.965 279 N HN 0.198 8.578 8.380 -0.000 0.000 0.437 280 L N -0.323 120.737 121.223 -0.270 0.000 2.275 280 L HA -0.073 4.255 4.340 -0.021 0.000 0.215 280 L C 0.033 176.846 176.870 -0.096 0.000 1.119 280 L CA 0.540 55.305 54.840 -0.125 0.000 0.790 280 L CB -0.582 41.501 42.059 0.040 0.000 0.919 280 L HN 0.329 8.559 8.230 -0.000 0.000 0.443 281 H N -0.201 118.899 119.070 0.048 0.000 2.741 281 H HA -0.133 4.411 4.556 -0.021 0.000 0.305 281 H C -0.207 175.118 175.328 -0.005 0.000 1.169 281 H CA 0.652 56.712 56.048 0.020 0.000 1.144 281 H CB -1.719 28.048 29.762 0.008 0.000 1.397 281 H HN 0.447 8.727 8.280 -0.000 0.000 0.409 282 E N 0.517 120.756 120.200 0.065 0.000 2.356 282 E HA 0.390 4.727 4.350 -0.021 0.000 0.275 282 E C -0.460 176.079 176.600 -0.101 0.000 0.904 282 E CA -0.681 55.679 56.400 -0.066 0.000 0.757 282 E CB 2.728 32.355 29.700 -0.122 0.000 1.232 282 E HN 0.174 8.534 8.360 -0.000 0.000 0.442 283 D N 0.233 120.468 120.400 -0.276 0.000 2.269 283 D HA 0.496 5.124 4.640 -0.021 0.000 0.244 283 D C -1.320 174.677 176.300 -0.504 0.000 0.992 283 D CA -0.240 53.633 54.000 -0.212 0.000 0.894 283 D CB 0.859 41.545 40.800 -0.189 0.000 1.248 283 D HN 0.231 8.601 8.370 -0.000 0.000 0.468 284 Y N 0.608 120.786 120.300 -0.203 0.000 2.512 284 Y HA 0.377 4.914 4.550 -0.021 0.000 0.348 284 Y C -0.432 175.272 175.900 -0.327 0.000 0.990 284 Y CA -1.095 56.876 58.100 -0.214 0.000 1.033 284 Y CB 1.137 39.506 38.460 -0.151 0.000 1.259 284 Y HN 0.282 8.562 8.280 -0.000 0.000 0.461 285 Y N 3.491 123.672 120.300 -0.199 0.000 2.457 285 Y HA 0.113 4.650 4.550 -0.021 0.000 0.341 285 Y C -1.836 173.831 175.900 -0.389 0.000 1.240 285 Y CA -1.498 56.326 58.100 -0.459 0.000 1.437 285 Y CB -0.012 38.041 38.460 -0.679 0.000 1.328 285 Y HN 0.301 8.581 8.280 -0.000 0.000 0.588 286 P HA -0.023 4.397 4.420 -0.000 0.000 0.270 286 P C 0.654 177.514 177.300 -0.733 0.000 1.223 286 P CA 0.226 62.856 63.100 -0.784 0.000 0.785 286 P CB 0.678 31.394 31.700 -1.640 0.000 0.923 287 G N 0.680 109.073 108.800 -0.679 0.000 2.485 287 G HA2 -0.236 3.711 3.960 -0.021 0.000 0.221 287 G HA3 -0.236 3.711 3.960 -0.021 0.000 0.221 287 G C 0.895 175.350 174.900 -0.741 0.000 1.115 287 G CA 0.380 45.263 45.100 -0.363 0.000 0.751 287 G HN 0.709 8.999 8.290 -0.000 0.000 0.567 288 W N -1.329 119.284 121.300 -1.146 0.000 2.961 288 W HA 0.341 4.989 4.660 -0.020 0.000 0.240 288 W C 1.166 177.457 176.519 -0.379 0.000 1.305 288 W CA -0.564 55.920 57.345 -1.436 0.000 1.465 288 W CB -0.525 28.260 29.460 -1.125 0.000 1.135 288 W HN 0.093 8.273 8.180 -0.000 0.000 0.688 289 Y N 0.789 120.926 120.300 -0.273 0.000 2.546 289 Y HA 0.167 4.705 4.550 -0.020 0.000 0.287 289 Y C 0.931 176.822 175.900 -0.016 0.000 1.158 289 Y CA -0.083 57.950 58.100 -0.111 0.000 1.307 289 Y CB -0.276 38.039 38.460 -0.242 0.000 1.036 289 Y HN -0.081 8.199 8.280 -0.000 0.000 0.532 290 L N 0.354 121.687 121.223 0.183 0.000 2.275 290 L HA 0.320 4.648 4.340 -0.021 0.000 0.288 290 L C 0.611 177.728 176.870 0.412 0.000 1.046 290 L CA -0.248 54.750 54.840 0.263 0.000 0.805 290 L CB 1.078 43.313 42.059 0.293 0.000 1.193 290 L HN 0.035 8.265 8.230 -0.000 0.000 0.426 291 V N -0.307 119.780 119.914 0.287 0.000 3.398 291 V HA 0.376 4.483 4.120 -0.021 0.000 0.298 291 V C 0.074 176.278 176.094 0.183 0.000 1.496 291 V CA -0.293 62.198 62.300 0.318 0.000 1.044 291 V CB 0.440 32.425 31.823 0.270 0.000 0.880 291 V HN 0.715 8.905 8.190 -0.000 0.000 0.443 292 D N 1.715 122.190 120.400 0.125 0.000 2.380 292 D HA 0.222 4.849 4.640 -0.021 0.000 0.230 292 D C 0.614 176.950 176.300 0.061 0.000 1.154 292 D CA 0.098 54.134 54.000 0.060 0.000 0.859 292 D CB 1.466 42.265 40.800 -0.000 0.000 1.045 292 D HN 0.311 8.681 8.370 -0.000 0.000 0.495 293 D N 2.437 122.870 120.400 0.055 0.000 2.228 293 D HA -0.183 4.445 4.640 -0.021 0.000 0.203 293 D C 1.496 177.813 176.300 0.028 0.000 0.988 293 D CA 1.195 55.220 54.000 0.041 0.000 0.864 293 D CB 0.272 41.090 40.800 0.029 0.000 0.928 293 D HN 0.437 8.807 8.370 -0.000 0.000 0.469 294 K N -0.208 120.200 120.400 0.012 0.000 2.283 294 K HA 0.018 4.325 4.320 -0.021 0.000 0.202 294 K C 1.261 177.863 176.600 0.003 0.000 1.048 294 K CA 0.611 56.899 56.287 0.001 0.000 0.948 294 K CB 0.141 32.634 32.500 -0.011 0.000 0.742 294 K HN 0.249 8.499 8.250 -0.000 0.000 0.458 295 L N -0.111 121.108 121.223 -0.005 0.000 2.728 295 L HA 0.127 4.454 4.340 -0.021 0.000 0.238 295 L C 1.860 178.780 176.870 0.082 0.000 1.143 295 L CA -0.083 54.754 54.840 -0.006 0.000 0.937 295 L CB 0.094 42.040 42.059 -0.188 0.000 1.225 295 L HN 0.126 8.356 8.230 -0.000 0.000 0.507 296 E N 1.506 121.760 120.200 0.090 0.000 2.130 296 E HA -0.202 4.136 4.350 -0.021 0.000 0.196 296 E C 1.435 178.123 176.600 0.148 0.000 0.998 296 E CA 1.264 57.742 56.400 0.130 0.000 0.806 296 E CB 0.245 30.000 29.700 0.093 0.000 0.738 296 E HN 0.397 8.757 8.360 -0.000 0.000 0.459 297 R N -0.867 119.706 120.500 0.121 0.000 2.515 297 R HA 0.258 4.585 4.340 -0.021 0.000 0.294 297 R C 1.203 177.581 176.300 0.130 0.000 1.021 297 R CA 0.315 56.492 56.100 0.129 0.000 1.081 297 R CB 0.755 31.117 30.300 0.102 0.000 1.263 297 R HN 0.062 8.332 8.270 -0.000 0.000 0.557 298 A N 0.631 123.543 122.820 0.152 0.000 2.066 298 A HA 0.022 4.330 4.320 -0.021 0.000 0.218 298 A C 1.465 179.128 177.584 0.131 0.000 1.157 298 A CA 0.923 53.064 52.037 0.173 0.000 0.670 298 A CB -0.071 19.111 19.000 0.304 0.000 0.804 298 A HN 0.337 8.487 8.150 -0.000 0.000 0.453 299 G N 0.698 109.569 108.800 0.118 0.000 2.865 299 G HA2 0.469 4.416 3.960 -0.021 0.000 0.292 299 G HA3 0.469 4.416 3.960 -0.021 0.000 0.292 299 G C -0.149 174.802 174.900 0.085 0.000 0.800 299 G CA -0.388 44.745 45.100 0.056 0.000 1.838 299 G HN 0.141 8.431 8.290 -0.000 0.000 0.535 300 R N 1.523 122.067 120.500 0.073 0.000 2.698 300 R HA 0.317 4.644 4.340 -0.021 0.000 0.275 300 R C -0.329 176.006 176.300 0.058 0.000 1.001 300 R CA -1.097 55.051 56.100 0.082 0.000 0.896 300 R CB 1.623 31.974 30.300 0.084 0.000 1.218 300 R HN 0.225 8.495 8.270 -0.000 0.000 0.462 301 I N 2.125 122.730 120.570 0.059 0.000 2.710 301 I HA -0.011 4.146 4.170 -0.021 0.000 0.286 301 I C 1.079 177.219 176.117 0.038 0.000 1.181 301 I CA 0.146 61.472 61.300 0.043 0.000 1.430 301 I CB 0.249 38.273 38.000 0.039 0.000 1.367 301 I HN 0.295 8.505 8.210 -0.000 0.000 0.577 302 K N 6.989 127.407 120.400 0.031 0.000 2.412 302 K HA 0.084 4.392 4.320 -0.021 0.000 0.284 302 K C -0.487 176.129 176.600 0.026 0.000 1.046 302 K CA -0.121 56.183 56.287 0.028 0.000 0.999 302 K CB 0.479 32.993 32.500 0.023 0.000 0.941 302 K HN 0.389 8.639 8.250 -0.000 0.000 0.474 303 K N 3.467 123.882 120.400 0.026 0.000 2.350 303 K HA 0.348 4.656 4.320 -0.021 0.000 0.241 303 K C -0.252 176.361 176.600 0.022 0.000 0.994 303 K CA -0.864 55.437 56.287 0.023 0.000 0.839 303 K CB 1.552 34.067 32.500 0.025 0.000 1.244 303 K HN 0.513 8.763 8.250 -0.000 0.000 0.443 304 K N 0.000 120.412 120.400 0.019 0.000 2.780 304 K HA 0.000 4.307 4.320 -0.021 0.000 0.191 304 K CA 0.000 56.298 56.287 0.019 0.000 0.838 304 K CB 0.000 32.510 32.500 0.016 0.000 1.064 304 K HN 0.000 8.250 8.250 -0.000 0.000 0.543