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 1s6l_1_A DATA FIRST_RESID 21 DATA SEQUENCE ADLLVPLLRE LAKGRPVSRT TLAGILDWPA ERVAAVLEQA TSTEYDKDGN DATA SEQUENCE IIGYGLTLRE TSYVFEIDDR RLYAWCALDT LIFPALIGRT ARVSSHCAAT DATA SEQUENCE GAPVSLTVSP SEIQAVEPAG MAVSLVLPQE AADVRQSFCC HVHFFASVPT DATA SEQUENCE AEDWASKHQG LEGLAIVSVH EAFGLGQEFN RHLLQTMSSR TP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 21 A HA 0.000 4.323 4.320 0.006 0.000 0.244 21 A C 0.000 177.611 177.584 0.044 0.000 1.274 21 A CA 0.000 52.051 52.037 0.024 0.000 0.836 21 A CB 0.000 19.026 19.000 0.044 0.000 0.831 22 D N 1.102 121.524 120.400 0.037 0.000 2.592 22 D HA 0.421 5.098 4.640 0.061 0.000 0.263 22 D C -1.019 175.316 176.300 0.059 0.000 1.132 22 D CA -0.181 53.848 54.000 0.048 0.000 0.996 22 D CB 2.103 42.921 40.800 0.030 0.000 1.442 22 D HN -0.040 8.340 8.370 0.016 0.000 0.486 23 L N 1.065 122.325 121.223 0.062 0.000 2.596 23 L HA 0.272 4.648 4.340 0.060 0.000 0.265 23 L C -1.002 175.895 176.870 0.044 0.000 0.962 23 L CA 0.354 55.236 54.840 0.069 0.000 0.891 23 L CB 1.905 44.035 42.059 0.118 0.000 1.248 23 L HN 0.211 8.473 8.230 0.053 0.000 0.410 24 L N 5.816 127.058 121.223 0.031 0.000 2.928 24 L HA 0.242 4.588 4.340 0.010 0.000 0.236 24 L C -0.925 175.952 176.870 0.012 0.000 1.290 24 L CA -0.157 54.692 54.840 0.016 0.000 1.099 24 L CB 0.021 42.088 42.059 0.013 0.000 1.437 24 L HN 0.202 8.451 8.230 0.032 0.000 0.493 25 V N -3.244 116.684 119.914 0.023 0.000 6.125 25 V HA -0.278 3.864 4.120 0.036 0.000 0.281 25 V C -1.122 174.991 176.094 0.033 0.000 0.591 25 V CA -0.479 61.834 62.300 0.023 0.000 0.617 25 V CB -1.840 29.979 31.823 -0.007 0.000 0.336 25 V HN -0.119 7.994 8.190 0.036 0.099 0.650 26 P HA -0.188 4.254 4.420 0.037 0.000 0.221 26 P C 1.050 178.381 177.300 0.051 0.000 1.145 26 P CA 2.078 65.204 63.100 0.044 0.000 0.795 26 P CB 0.149 31.877 31.700 0.047 0.000 0.775 27 L N -3.518 117.738 121.223 0.055 0.000 1.971 27 L HA -0.365 4.012 4.340 0.060 0.000 0.215 27 L C 2.192 179.101 176.870 0.066 0.000 1.072 27 L CA 3.437 58.312 54.840 0.058 0.000 0.758 27 L CB -0.412 41.678 42.059 0.052 0.000 0.889 27 L HN -0.121 8.094 8.230 0.055 0.048 0.433 28 L N -3.527 117.737 121.223 0.068 0.000 2.217 28 L HA -0.305 4.109 4.340 0.123 0.000 0.211 28 L C 1.924 178.844 176.870 0.083 0.000 1.107 28 L CA 2.818 57.715 54.840 0.095 0.000 0.783 28 L CB -0.695 41.420 42.059 0.094 0.000 0.919 28 L HN -0.582 7.681 8.230 0.055 0.000 0.442 29 R N 0.289 120.825 120.500 0.060 0.000 2.070 29 R HA -0.460 3.912 4.340 0.054 0.000 0.233 29 R C 2.379 178.713 176.300 0.056 0.000 1.137 29 R CA 4.113 60.245 56.100 0.053 0.000 0.945 29 R CB -0.160 30.163 30.300 0.040 0.000 0.845 29 R HN -0.668 7.508 8.270 0.053 0.126 0.430 30 E N -1.473 118.760 120.200 0.055 0.000 2.208 30 E HA -0.203 4.176 4.350 0.047 0.000 0.193 30 E C 2.296 178.936 176.600 0.066 0.000 0.988 30 E CA 2.439 58.871 56.400 0.053 0.000 0.828 30 E CB -0.426 29.303 29.700 0.048 0.000 0.763 30 E HN -0.131 8.261 8.360 0.054 0.000 0.478 31 L N -0.250 121.022 121.223 0.082 0.000 2.027 31 L HA -0.261 4.137 4.340 0.096 0.000 0.206 31 L C 2.158 179.097 176.870 0.115 0.000 1.074 31 L CA 2.720 57.624 54.840 0.106 0.000 0.745 31 L CB -0.821 41.321 42.059 0.137 0.000 0.898 31 L HN -0.441 7.700 8.230 0.080 0.137 0.433 32 A N -1.388 121.496 122.820 0.107 0.000 2.032 32 A HA -0.308 4.080 4.320 0.112 0.000 0.221 32 A C 1.510 179.142 177.584 0.079 0.000 1.165 32 A CA 3.032 55.128 52.037 0.097 0.000 0.645 32 A CB -0.550 18.500 19.000 0.084 0.000 0.807 32 A HN 0.215 8.318 8.150 0.102 0.108 0.453 33 K N -4.725 115.716 120.400 0.069 0.000 2.283 33 K HA -0.222 4.128 4.320 0.049 0.000 0.202 33 K C 0.981 177.617 176.600 0.060 0.000 1.048 33 K CA 0.377 56.698 56.287 0.056 0.000 0.948 33 K CB -0.216 32.312 32.500 0.048 0.000 0.742 33 K HN -0.778 7.363 8.250 0.071 0.151 0.458 34 G N -0.097 108.748 108.800 0.075 0.000 2.314 34 G HA2 -0.431 3.615 3.960 0.091 0.000 0.292 34 G HA3 -0.431 3.575 3.960 0.078 0.000 0.292 34 G C -1.063 173.875 174.900 0.063 0.000 1.059 34 G CA 0.430 45.577 45.100 0.078 0.000 0.982 34 G HN 0.330 8.481 8.290 0.084 0.188 0.505 35 R N -0.761 119.774 120.500 0.058 0.000 2.795 35 R HA 0.359 4.726 4.340 0.046 0.000 0.275 35 R C -2.597 173.732 176.300 0.048 0.000 0.981 35 R CA -3.213 52.916 56.100 0.048 0.000 0.917 35 R CB 2.386 32.710 30.300 0.040 0.000 1.202 35 R HN -0.510 7.797 8.270 0.062 0.000 0.469 36 P HA -0.131 4.317 4.420 0.047 0.000 0.259 36 P C -1.704 175.619 177.300 0.038 0.000 1.211 36 P CA -0.010 63.114 63.100 0.040 0.000 0.810 36 P CB -0.075 31.644 31.700 0.032 0.000 0.815 37 V N 7.102 127.043 119.914 0.044 0.000 2.350 37 V HA 0.319 4.460 4.120 0.035 0.000 0.285 37 V C -1.765 174.352 176.094 0.039 0.000 1.014 37 V CA -2.606 59.719 62.300 0.042 0.000 0.831 37 V CB 1.895 33.747 31.823 0.049 0.000 1.000 37 V HN -0.046 8.175 8.190 0.052 0.000 0.433 38 S N 7.008 122.724 115.700 0.027 0.000 2.686 38 S HA 0.283 4.760 4.470 0.011 0.000 0.270 38 S C 0.876 175.489 174.600 0.021 0.000 1.194 38 S CA -0.888 57.321 58.200 0.015 0.000 0.990 38 S CB 1.627 64.829 63.200 0.004 0.000 1.029 38 S HN 0.286 8.610 8.310 0.024 0.000 0.560 39 R N 1.126 121.633 120.500 0.011 0.000 2.090 39 R HA -0.268 4.093 4.340 0.035 0.000 0.228 39 R C 2.062 178.379 176.300 0.029 0.000 1.110 39 R CA 4.276 60.389 56.100 0.022 0.000 0.973 39 R CB -0.198 30.107 30.300 0.007 0.000 0.869 39 R HN 0.801 9.067 8.270 -0.006 0.000 0.440 40 T N -3.762 110.804 114.554 0.019 0.000 2.915 40 T HA -0.247 4.119 4.350 0.027 0.000 0.269 40 T C 1.349 176.063 174.700 0.023 0.000 1.071 40 T CA 3.851 65.963 62.100 0.021 0.000 1.132 40 T CB -0.670 68.205 68.868 0.012 0.000 0.878 40 T HN 0.171 8.417 8.240 0.010 0.000 0.479 41 T N 4.312 118.880 114.554 0.023 0.000 2.939 41 T HA -0.174 4.187 4.350 0.018 0.000 0.254 41 T C 1.232 175.951 174.700 0.032 0.000 1.041 41 T CA 4.081 66.195 62.100 0.023 0.000 1.142 41 T CB 0.010 68.891 68.868 0.022 0.000 0.874 41 T HN -0.701 7.416 8.240 0.022 0.136 0.452 42 L N 1.085 122.333 121.223 0.042 0.000 2.083 42 L HA -0.342 4.029 4.340 0.053 0.000 0.209 42 L C 1.565 178.478 176.870 0.072 0.000 1.083 42 L CA 3.375 58.249 54.840 0.057 0.000 0.752 42 L CB -0.170 41.926 42.059 0.062 0.000 0.899 42 L HN 0.272 8.350 8.230 0.039 0.176 0.433 43 A N -1.862 121.000 122.820 0.071 0.000 1.897 43 A HA -0.209 4.197 4.320 0.144 0.000 0.215 43 A C 1.741 179.360 177.584 0.059 0.000 1.181 43 A CA 3.055 55.148 52.037 0.094 0.000 0.620 43 A CB -0.849 18.200 19.000 0.082 0.000 0.821 43 A HN 0.829 8.876 8.150 0.056 0.137 0.443 44 G N -1.734 107.085 108.800 0.031 0.000 2.422 44 G HA2 -0.209 3.749 3.960 -0.003 0.000 0.218 44 G HA3 -0.209 3.798 3.960 0.004 -0.045 0.218 44 G C 1.350 176.241 174.900 -0.015 0.000 1.140 44 G CA 1.433 46.535 45.100 0.004 0.000 0.775 44 G HN 0.004 8.098 8.290 0.034 0.216 0.545 45 I N 0.264 120.835 120.570 0.000 0.000 2.333 45 I HA -0.279 3.879 4.170 -0.020 0.000 0.246 45 I C 0.794 176.892 176.117 -0.031 0.000 1.106 45 I CA 2.603 63.898 61.300 -0.009 0.000 1.411 45 I CB 0.629 38.638 38.000 0.014 0.000 1.082 45 I HN 0.395 8.386 8.210 0.019 0.229 0.420 46 L N -1.245 119.977 121.223 -0.002 0.000 2.552 46 L HA -0.094 4.230 4.340 -0.027 0.000 0.227 46 L C 0.335 177.036 176.870 -0.282 0.000 1.146 46 L CA 0.737 55.564 54.840 -0.021 0.000 0.858 46 L CB -0.010 42.174 42.059 0.208 0.000 0.969 46 L HN -0.155 7.986 8.230 0.036 0.110 0.451 47 D N -4.891 115.389 120.400 -0.200 0.000 2.983 47 D HA -0.373 4.170 4.640 -0.161 0.000 0.225 47 D C -1.390 174.700 176.300 -0.350 0.000 1.174 47 D CA 1.724 55.547 54.000 -0.294 0.000 0.831 47 D CB -0.706 39.848 40.800 -0.411 0.000 1.104 47 D HN -0.509 7.702 8.370 -0.089 0.105 0.421 48 W N -2.927 118.376 121.300 0.004 0.000 2.578 48 W HA 0.354 5.015 4.660 0.003 0.000 0.353 48 W C -2.175 174.345 176.519 0.003 0.000 1.088 48 W CA -3.047 54.300 57.345 0.004 0.000 1.235 48 W CB 1.485 30.948 29.460 0.004 0.000 1.362 48 W HN -0.511 7.665 8.180 0.075 0.049 0.592 49 P HA -0.004 4.499 4.420 0.137 0.000 0.271 49 P C -0.531 176.841 177.300 0.120 0.000 1.216 49 P CA -0.380 62.823 63.100 0.172 0.000 0.776 49 P CB 0.698 32.477 31.700 0.131 0.000 0.881 50 A N 3.706 126.573 122.820 0.079 0.000 2.139 50 A HA -0.295 4.063 4.320 0.063 0.000 0.221 50 A C 1.963 179.569 177.584 0.036 0.000 1.159 50 A CA 2.634 54.704 52.037 0.054 0.000 0.662 50 A CB -0.368 18.653 19.000 0.034 0.000 0.796 50 A HN 0.515 8.708 8.150 0.071 0.000 0.463 51 E N -2.162 118.056 120.200 0.030 0.000 2.158 51 E HA -0.227 4.126 4.350 0.005 0.000 0.191 51 E C 2.641 179.235 176.600 -0.009 0.000 0.982 51 E CA 2.715 59.119 56.400 0.007 0.000 0.823 51 E CB -0.511 29.189 29.700 -0.000 0.000 0.766 51 E HN 0.438 8.760 8.360 0.040 0.062 0.468 52 R N -0.324 120.167 120.500 -0.014 0.000 2.075 52 R HA -0.194 4.090 4.340 -0.094 0.000 0.232 52 R C 2.614 178.898 176.300 -0.027 0.000 1.126 52 R CA 2.661 58.721 56.100 -0.067 0.000 0.963 52 R CB -0.177 30.032 30.300 -0.151 0.000 0.858 52 R HN -0.106 8.068 8.270 0.014 0.105 0.435 53 V N -1.333 118.597 119.914 0.026 0.000 2.295 53 V HA -0.445 3.702 4.120 0.044 0.000 0.246 53 V C 1.465 177.576 176.094 0.027 0.000 1.049 53 V CA 3.810 66.136 62.300 0.042 0.000 1.024 53 V CB -0.503 31.359 31.823 0.065 0.000 0.648 53 V HN -0.665 7.554 8.190 0.049 0.000 0.447 54 A N -0.018 122.814 122.820 0.019 0.000 1.873 54 A HA -0.493 3.840 4.320 0.021 0.000 0.218 54 A C 1.530 179.120 177.584 0.010 0.000 1.193 54 A CA 3.116 55.162 52.037 0.014 0.000 0.629 54 A CB -0.937 18.066 19.000 0.005 0.000 0.826 54 A HN -0.281 7.713 8.150 0.020 0.168 0.447 55 A N -3.098 119.719 122.820 -0.006 0.000 1.958 55 A HA -0.270 4.205 4.320 -0.012 -0.163 0.221 55 A C 1.724 179.302 177.584 -0.009 0.000 1.178 55 A CA 2.727 54.754 52.037 -0.016 0.000 0.642 55 A CB -0.587 18.390 19.000 -0.039 0.000 0.816 55 A HN 0.155 8.186 8.150 -0.011 0.112 0.453 56 V N -1.933 117.979 119.914 -0.004 0.000 2.261 56 V HA -0.389 3.726 4.120 -0.008 0.000 0.246 56 V C 2.044 178.148 176.094 0.017 0.000 1.047 56 V CA 4.049 66.351 62.300 0.003 0.000 1.015 56 V CB 0.192 32.022 31.823 0.012 0.000 0.642 56 V HN -0.682 7.383 8.190 -0.004 0.122 0.446 57 L N -4.252 116.995 121.223 0.040 0.000 2.376 57 L HA -0.101 4.273 4.340 0.058 0.000 0.219 57 L C 2.070 178.977 176.870 0.061 0.000 1.133 57 L CA 2.570 57.453 54.840 0.072 0.000 0.816 57 L CB -1.271 40.870 42.059 0.137 0.000 0.933 57 L HN -0.563 7.691 8.230 0.041 0.000 0.449 58 E N 1.435 121.657 120.200 0.035 0.000 2.331 58 E HA -0.292 4.078 4.350 0.034 0.000 0.199 58 E C 1.005 177.615 176.600 0.016 0.000 1.008 58 E CA 2.484 58.898 56.400 0.024 0.000 0.843 58 E CB -0.156 29.549 29.700 0.008 0.000 0.761 58 E HN 0.462 8.590 8.360 0.026 0.248 0.507 59 Q N -4.441 115.364 119.800 0.009 0.000 2.159 59 Q HA 0.121 4.460 4.340 -0.003 0.000 0.217 59 Q C -1.245 174.748 176.000 -0.011 0.000 0.818 59 Q CA -0.571 55.230 55.803 -0.003 0.000 1.008 59 Q CB 1.583 30.315 28.738 -0.009 0.000 1.148 59 Q HN -0.745 7.477 8.270 0.011 0.055 0.491 60 A N 1.198 124.014 122.820 -0.007 0.000 2.938 60 A HA 0.398 4.688 4.320 -0.050 0.000 0.344 60 A C -0.262 177.286 177.584 -0.060 0.000 1.142 60 A CA 0.072 52.086 52.037 -0.039 0.000 0.841 60 A CB -0.654 18.321 19.000 -0.042 0.000 1.083 60 A HN -0.188 7.763 8.150 0.014 0.208 0.479 61 T N -0.477 114.044 114.554 -0.055 0.000 3.035 61 T HA -0.112 4.218 4.350 -0.033 0.000 0.259 61 T C 1.424 176.046 174.700 -0.129 0.000 1.078 61 T CA 1.620 63.684 62.100 -0.060 0.000 1.132 61 T CB 0.411 69.267 68.868 -0.019 0.000 0.900 61 T HN -0.099 8.115 8.240 -0.044 0.000 0.480 62 S N -0.093 115.531 115.700 -0.125 0.000 2.453 62 S HA -0.064 4.335 4.470 -0.119 0.000 0.231 62 S C -0.098 174.380 174.600 -0.205 0.000 1.005 62 S CA 1.200 59.318 58.200 -0.138 0.000 0.949 62 S CB -0.077 63.059 63.200 -0.107 0.000 0.774 62 S HN 0.130 8.380 8.310 -0.100 0.000 0.510 63 T N 1.959 116.350 114.554 -0.272 0.000 2.946 63 T HA -0.107 4.077 4.350 -0.277 0.000 0.311 63 T C -0.891 173.512 174.700 -0.494 0.000 1.063 63 T CA 1.219 63.105 62.100 -0.357 0.000 1.139 63 T CB 0.674 69.323 68.868 -0.366 0.000 0.994 63 T HN -0.592 7.467 8.240 -0.239 0.038 0.547 64 E N 7.858 127.850 120.200 -0.347 0.000 2.259 64 E HA 0.101 4.299 4.350 -0.254 0.000 0.281 64 E C -0.985 175.480 176.600 -0.225 0.000 1.037 64 E CA 0.261 56.507 56.400 -0.257 0.000 0.854 64 E CB 0.634 30.260 29.700 -0.124 0.000 1.051 64 E HN 0.375 8.570 8.360 -0.276 0.000 0.409 65 Y N 2.142 122.431 120.300 -0.017 0.000 2.545 65 Y HA 0.769 5.491 4.550 -0.011 -0.179 0.324 65 Y C 0.349 176.247 175.900 -0.004 0.000 1.220 65 Y CA -2.084 56.010 58.100 -0.010 0.000 1.290 65 Y CB 1.990 40.444 38.460 -0.009 0.000 1.355 65 Y HN 0.197 8.434 8.280 -0.073 0.000 0.516 66 D N -1.649 118.871 120.400 0.199 0.000 2.837 66 D HA 0.059 4.752 4.640 0.090 0.000 0.220 66 D C -1.049 175.286 176.300 0.060 0.000 1.236 66 D CA -0.369 53.691 54.000 0.100 0.000 0.838 66 D CB 2.783 43.630 40.800 0.079 0.000 1.647 66 D HN 0.017 8.520 8.370 0.222 0.000 0.486 67 K N 2.426 122.850 120.400 0.041 0.000 5.342 67 K HA -0.401 3.930 4.320 0.019 0.000 0.263 67 K C -0.758 175.844 176.600 0.004 0.000 0.748 67 K CA 2.266 58.565 56.287 0.020 0.000 0.857 67 K CB -1.055 31.455 32.500 0.016 0.000 0.775 67 K HN 0.363 8.639 8.250 0.044 0.000 0.820 68 D N 0.212 120.603 120.400 -0.016 0.000 2.354 68 D HA 0.134 4.755 4.640 -0.032 0.000 0.209 68 D C 0.094 176.337 176.300 -0.094 0.000 1.015 68 D CA 0.201 54.176 54.000 -0.042 0.000 0.867 68 D CB 1.012 41.788 40.800 -0.041 0.000 0.933 68 D HN 0.342 8.705 8.370 -0.012 0.000 0.520 69 G N -0.685 108.048 108.800 -0.112 0.000 2.192 69 G HA2 -0.261 3.547 3.960 -0.253 0.000 0.152 69 G HA3 -0.261 3.447 3.960 -0.420 0.000 0.152 69 G C -1.748 172.944 174.900 -0.347 0.000 1.057 69 G CA -0.272 44.639 45.100 -0.315 0.000 0.748 69 G HN -0.261 7.957 8.290 -0.049 0.043 0.488 70 N N -0.414 118.243 118.700 -0.072 0.000 2.413 70 N HA 0.131 4.849 4.740 -0.037 0.000 0.266 70 N C -1.210 174.409 175.510 0.182 0.000 1.238 70 N CA -0.632 52.426 53.050 0.015 0.000 0.972 70 N CB 1.510 40.011 38.487 0.025 0.000 1.210 70 N HN -0.588 7.781 8.380 -0.020 0.000 0.547 71 I N -0.487 120.181 120.570 0.162 0.000 2.406 71 I HA -0.142 4.182 4.170 0.257 0.000 0.293 71 I C 0.695 176.876 176.117 0.106 0.000 1.101 71 I CA 1.015 62.417 61.300 0.171 0.000 1.334 71 I CB -1.162 36.908 38.000 0.117 0.000 1.421 71 I HN -0.400 7.873 8.210 0.105 0.000 0.513 72 I N 7.726 128.352 120.570 0.093 0.000 2.394 72 I HA -0.346 3.867 4.170 0.072 0.000 0.251 72 I C 0.327 176.476 176.117 0.053 0.000 1.136 72 I CA 1.146 62.484 61.300 0.064 0.000 1.425 72 I CB 0.189 38.217 38.000 0.047 0.000 1.079 72 I HN -0.359 7.916 8.210 0.108 0.000 0.425 73 G N -2.413 106.400 108.800 0.020 0.000 2.601 73 G HA2 -0.330 3.635 3.960 0.009 0.000 0.224 73 G HA3 -0.330 3.684 3.960 0.090 0.000 0.224 73 G C -2.001 172.878 174.900 -0.035 0.000 1.171 73 G CA -0.277 44.839 45.100 0.028 0.000 1.009 73 G HN -0.291 7.979 8.290 -0.004 0.018 0.589 74 Y N 0.679 121.006 120.300 0.044 0.000 2.612 74 Y HA 0.178 4.745 4.550 0.028 0.000 0.334 74 Y C 0.294 176.227 175.900 0.055 0.000 1.227 74 Y CA -0.235 57.892 58.100 0.044 0.000 1.356 74 Y CB 1.738 40.230 38.460 0.055 0.000 1.534 74 Y HN -0.004 8.431 8.280 0.258 0.000 0.576 75 G N -2.298 106.708 108.800 0.345 0.000 3.897 75 G HA2 -0.151 3.935 3.960 0.211 0.000 0.207 75 G HA3 -0.151 3.906 3.960 0.162 0.000 0.207 75 G C -0.538 174.498 174.900 0.228 0.000 0.872 75 G CA 0.060 45.293 45.100 0.222 0.000 0.872 75 G HN 0.259 8.871 8.290 0.538 0.000 0.442 76 L N -2.178 119.196 121.223 0.252 0.000 3.911 76 L HA -0.355 4.111 4.340 0.210 0.000 0.053 76 L C -0.733 176.269 176.870 0.220 0.000 4.160 76 L CA 2.493 57.468 54.840 0.225 0.000 0.837 76 L CB -1.219 40.969 42.059 0.215 0.000 3.418 76 L HN -0.206 8.206 8.230 0.303 0.000 0.897 77 T N -1.916 112.792 114.554 0.257 0.000 2.916 77 T HA 0.180 4.682 4.350 0.252 0.000 0.292 77 T C 0.300 175.084 174.700 0.139 0.000 1.055 77 T CA -1.412 60.845 62.100 0.261 0.000 1.009 77 T CB 1.604 70.702 68.868 0.383 0.000 1.118 77 T HN -0.241 8.143 8.240 0.267 0.016 0.497 78 L N 4.754 126.031 121.223 0.089 0.000 2.803 78 L HA -0.031 4.319 4.340 0.017 0.000 0.241 78 L C -0.935 175.865 176.870 -0.118 0.000 1.404 78 L CA 0.057 54.901 54.840 0.007 0.000 1.211 78 L CB -1.217 40.853 42.059 0.019 0.000 1.585 78 L HN 0.311 8.622 8.230 0.136 0.000 0.430 79 R N 1.065 121.413 120.500 -0.253 0.000 2.557 79 R HA -0.457 2.989 4.340 -1.490 0.000 0.289 79 R C -1.131 174.831 176.300 -0.562 0.000 1.001 79 R CA 1.157 56.791 56.100 -0.777 0.000 0.869 79 R CB -0.984 28.936 30.300 -0.634 0.000 2.320 79 R HN -0.177 7.918 8.270 -0.118 0.104 0.517 80 E N -1.001 118.931 120.200 -0.447 0.000 2.820 80 E HA 0.036 4.240 4.350 -0.243 0.000 0.136 80 E C -1.498 174.986 176.600 -0.193 0.000 0.859 80 E CA -0.335 55.918 56.400 -0.246 0.000 1.416 80 E CB 0.210 29.819 29.700 -0.152 0.000 0.963 80 E HN 0.186 8.293 8.360 -0.423 0.000 0.427 81 T N -3.414 111.094 114.554 -0.076 0.000 2.804 81 T HA 0.316 4.523 4.350 -0.239 0.000 0.272 81 T C -0.161 174.553 174.700 0.024 0.000 0.986 81 T CA -2.299 59.760 62.100 -0.068 0.000 0.999 81 T CB 3.223 72.081 68.868 -0.017 0.000 1.307 81 T HN -0.636 7.597 8.240 -0.013 0.000 0.586 82 S N -1.893 113.716 115.700 -0.152 0.000 2.497 82 S HA 0.152 4.508 4.470 -0.189 0.000 0.221 82 S C 0.234 174.730 174.600 -0.173 0.000 1.037 82 S CA 0.924 58.957 58.200 -0.278 0.000 0.920 82 S CB 1.186 64.042 63.200 -0.572 0.000 0.800 82 S HN 0.248 8.439 8.310 -0.200 0.000 0.505 83 Y N 2.114 122.429 120.300 0.025 0.000 2.531 83 Y HA 0.008 4.696 4.550 -0.054 -0.171 0.347 83 Y C -0.922 174.903 175.900 -0.124 0.000 1.024 83 Y CA 0.446 58.523 58.100 -0.040 0.000 1.306 83 Y CB -0.885 37.549 38.460 -0.043 0.000 1.149 83 Y HN -0.764 7.473 8.280 -0.072 0.000 0.527 84 V N 2.517 122.372 119.914 -0.098 0.000 2.547 84 V HA 0.280 4.221 4.120 -0.520 -0.133 0.299 84 V C -1.551 174.506 176.094 -0.062 0.000 1.040 84 V CA -1.481 60.641 62.300 -0.298 0.000 0.913 84 V CB 2.368 33.944 31.823 -0.412 0.000 0.992 84 V HN 0.428 8.572 8.190 -0.078 0.000 0.449 85 F N 8.418 128.233 119.950 -0.226 0.000 2.500 85 F HA 0.700 5.303 4.527 -0.130 -0.155 0.349 85 F C -2.131 173.606 175.800 -0.106 0.000 1.127 85 F CA -2.269 55.649 58.000 -0.136 0.000 0.998 85 F CB 3.077 42.017 39.000 -0.101 0.000 1.237 85 F HN 1.078 9.209 8.300 -0.072 0.125 0.439 86 E N 8.017 127.950 120.200 -0.446 0.000 2.175 86 E HA 0.438 4.811 4.350 -0.211 -0.149 0.278 86 E C -1.317 174.994 176.600 -0.482 0.000 0.969 86 E CA -1.435 54.760 56.400 -0.342 0.000 0.796 86 E CB 2.148 31.717 29.700 -0.219 0.000 1.104 86 E HN 1.181 9.157 8.360 -0.456 0.110 0.395 87 I N -1.532 118.860 120.570 -0.296 0.000 2.548 87 I HA 0.593 4.719 4.170 -0.277 -0.123 0.287 87 I C -0.374 175.686 176.117 -0.096 0.000 1.103 87 I CA -1.454 59.708 61.300 -0.231 0.000 1.049 87 I CB 3.444 41.339 38.000 -0.175 0.000 1.232 87 I HN -0.038 8.065 8.210 -0.178 0.000 0.429 88 D N 8.598 128.952 120.400 -0.077 0.000 4.435 88 D HA -0.494 4.126 4.640 -0.034 0.000 0.221 88 D C -0.166 176.116 176.300 -0.031 0.000 1.021 88 D CA 3.738 57.716 54.000 -0.036 0.000 2.165 88 D CB -0.360 40.434 40.800 -0.010 0.000 1.159 88 D HN 0.732 9.044 8.370 -0.096 0.000 0.408 89 D N -0.641 119.746 120.400 -0.021 0.000 3.244 89 D HA 0.089 4.717 4.640 -0.020 0.000 0.292 89 D C -1.706 174.596 176.300 0.003 0.000 1.652 89 D CA 0.460 54.453 54.000 -0.011 0.000 0.803 89 D CB 1.337 42.137 40.800 -0.001 0.000 1.390 89 D HN 0.295 8.607 8.370 -0.017 0.048 0.528 90 R N -1.247 119.253 120.500 -0.000 0.000 2.500 90 R HA 0.364 4.727 4.340 0.039 0.000 0.299 90 R C -1.343 174.973 176.300 0.025 0.000 1.038 90 R CA -1.618 54.499 56.100 0.029 0.000 0.903 90 R CB 1.360 31.691 30.300 0.052 0.000 1.177 90 R HN -0.201 7.949 8.270 -0.024 0.105 0.455 91 R N 4.732 125.259 120.500 0.045 0.000 2.316 91 R HA -0.072 4.256 4.340 -0.020 0.000 0.314 91 R C -0.615 175.763 176.300 0.131 0.000 1.069 91 R CA 0.263 56.391 56.100 0.047 0.000 0.959 91 R CB 0.111 30.452 30.300 0.068 0.000 0.987 91 R HN 0.306 8.609 8.270 0.055 0.000 0.446 92 L N 3.511 124.801 121.223 0.112 0.000 2.313 92 L HA 0.314 4.827 4.340 0.287 0.000 0.268 92 L C -1.296 175.657 176.870 0.139 0.000 1.010 92 L CA -1.984 52.989 54.840 0.221 0.000 0.814 92 L CB 2.922 45.146 42.059 0.274 0.000 1.304 92 L HN 0.761 8.894 8.230 0.038 0.120 0.441 93 Y N -1.283 119.102 120.300 0.142 0.000 2.634 93 Y HA 0.694 5.478 4.550 0.141 -0.149 0.340 93 Y C -1.126 174.860 175.900 0.143 0.000 1.058 93 Y CA -1.202 56.979 58.100 0.134 0.000 1.081 93 Y CB 4.856 43.377 38.460 0.102 0.000 1.295 93 Y HN 0.186 8.694 8.280 0.380 0.000 0.487 94 A N -1.617 121.398 122.820 0.324 0.000 2.588 94 A HA 0.416 4.906 4.320 0.283 0.000 0.290 94 A C -2.138 175.649 177.584 0.338 0.000 1.136 94 A CA -0.793 51.402 52.037 0.263 0.000 0.681 94 A CB 2.491 21.535 19.000 0.073 0.000 1.282 94 A HN 0.293 8.661 8.150 0.363 0.000 0.421 95 W N -2.210 119.124 121.300 0.055 0.000 2.996 95 W HA 0.071 4.889 4.660 0.264 0.000 0.270 95 W C -1.338 175.053 176.519 -0.212 0.000 1.280 95 W CA 1.927 59.327 57.345 0.091 0.000 1.549 95 W CB 0.856 30.353 29.460 0.061 0.000 1.079 95 W HN 0.355 8.876 8.180 0.350 -0.132 0.629 96 C N -5.412 113.617 119.300 -0.452 0.000 3.241 96 C HA 0.400 3.842 4.460 -1.755 -0.035 0.312 96 C C 0.434 174.852 174.990 -0.954 0.000 1.350 96 C CA -3.129 55.312 59.018 -0.962 0.000 1.415 96 C CB 4.131 31.730 27.740 -0.236 0.000 1.770 96 C HN -1.057 7.011 8.230 -0.210 0.036 0.466 97 A N 0.464 122.843 122.820 -0.735 0.000 2.084 97 A HA -0.263 3.845 4.320 -0.355 0.000 0.221 97 A C 0.549 177.963 177.584 -0.283 0.000 1.161 97 A CA 3.203 55.013 52.037 -0.379 0.000 0.653 97 A CB -0.074 18.820 19.000 -0.177 0.000 0.802 97 A HN 0.813 8.494 8.150 -0.600 0.109 0.457 98 L N -3.032 118.045 121.223 -0.244 0.000 2.130 98 L HA -0.242 3.949 4.340 -0.249 0.000 0.200 98 L C 1.612 178.307 176.870 -0.292 0.000 1.075 98 L CA 2.974 57.667 54.840 -0.245 0.000 0.768 98 L CB -0.508 41.427 42.059 -0.207 0.000 0.933 98 L HN -0.347 7.686 8.230 -0.247 0.049 0.451 99 D N -3.159 117.102 120.400 -0.230 0.000 2.239 99 D HA -0.315 4.225 4.640 -0.165 0.000 0.202 99 D C 1.705 177.854 176.300 -0.252 0.000 0.993 99 D CA 2.850 56.746 54.000 -0.173 0.000 0.874 99 D CB -0.575 40.202 40.800 -0.039 0.000 0.922 99 D HN 0.201 8.444 8.370 -0.212 0.000 0.464 100 T N -4.195 110.171 114.554 -0.314 0.000 2.788 100 T HA -0.314 3.900 4.350 -0.225 0.000 0.268 100 T C 0.698 174.653 174.700 -1.242 0.000 1.044 100 T CA 2.331 64.163 62.100 -0.447 0.000 1.139 100 T CB 0.624 69.358 68.868 -0.223 0.000 0.867 100 T HN -0.593 7.436 8.240 -0.285 0.040 0.454 101 L N -4.636 115.945 121.223 -1.069 0.000 2.256 101 L HA 0.465 3.840 4.340 -1.609 0.000 0.261 101 L C -1.678 174.831 176.870 -0.602 0.000 1.022 101 L CA -0.956 53.199 54.840 -1.142 0.000 0.828 101 L CB 2.558 44.123 42.059 -0.822 0.000 1.374 101 L HN -0.206 7.498 8.230 -0.681 0.117 0.436 102 I N -4.985 115.317 120.570 -0.447 0.000 4.578 102 I HA 0.022 3.957 4.170 -0.392 0.000 0.296 102 I C -1.579 174.313 176.117 -0.376 0.000 1.136 102 I CA 0.503 61.600 61.300 -0.337 0.000 1.344 102 I CB 2.058 39.937 38.000 -0.202 0.000 1.712 102 I HN -0.260 7.717 8.210 -0.389 0.000 0.460 103 F N -1.076 118.804 119.950 -0.117 0.000 3.159 103 F HA 0.408 4.920 4.527 -0.024 0.000 0.394 103 F C -2.138 173.680 175.800 0.029 0.000 1.214 103 F CA -1.909 56.074 58.000 -0.028 0.000 1.241 103 F CB 1.383 40.381 39.000 -0.003 0.000 2.238 103 F HN -0.488 7.804 8.300 -0.014 0.000 0.658 104 P HA -0.213 4.346 4.420 0.233 0.000 0.216 104 P C 0.439 177.875 177.300 0.226 0.000 1.153 104 P CA 1.938 65.175 63.100 0.229 0.000 0.848 104 P CB 0.420 32.284 31.700 0.273 0.000 0.787 105 A N -3.792 119.182 122.820 0.257 0.000 2.015 105 A HA -0.190 4.236 4.320 0.176 0.000 0.219 105 A C 1.548 179.236 177.584 0.174 0.000 1.163 105 A CA 2.119 54.285 52.037 0.214 0.000 0.646 105 A CB -0.866 18.274 19.000 0.234 0.000 0.806 105 A HN 0.223 8.545 8.150 0.286 0.000 0.448 106 L N -3.095 118.250 121.223 0.204 0.000 2.240 106 L HA -0.180 4.198 4.340 0.063 0.000 0.211 106 L C 0.934 177.861 176.870 0.094 0.000 1.106 106 L CA 1.752 56.655 54.840 0.105 0.000 0.793 106 L CB 0.199 42.278 42.059 0.033 0.000 0.927 106 L HN -0.806 7.459 8.230 0.300 0.146 0.446 107 I N -3.911 116.734 120.570 0.125 0.000 2.113 107 I HA -0.270 3.955 4.170 0.092 0.000 0.238 107 I C 1.500 177.664 176.117 0.079 0.000 1.070 107 I CA 0.577 61.939 61.300 0.103 0.000 1.332 107 I CB -0.253 37.820 38.000 0.120 0.000 1.044 107 I HN -0.920 7.247 8.210 0.164 0.141 0.402 108 G N -1.945 106.904 108.800 0.083 0.000 2.131 108 G HA2 -0.355 3.644 3.960 0.065 0.000 0.201 108 G HA3 -0.355 3.637 3.960 0.053 0.000 0.201 108 G C -1.029 173.902 174.900 0.052 0.000 1.000 108 G CA -0.113 45.024 45.100 0.062 0.000 0.680 108 G HN -0.389 7.963 8.290 0.103 0.000 0.514 109 R N -2.045 118.490 120.500 0.058 0.000 2.844 109 R HA 0.430 4.789 4.340 0.030 0.000 0.264 109 R C -1.749 174.575 176.300 0.040 0.000 1.077 109 R CA -1.978 54.145 56.100 0.038 0.000 0.953 109 R CB 2.214 32.529 30.300 0.024 0.000 1.272 109 R HN -0.377 7.940 8.270 0.077 0.000 0.447 110 T N 1.168 115.728 114.554 0.009 0.000 2.913 110 T HA 0.173 4.639 4.350 0.030 -0.098 0.287 110 T C -1.128 173.533 174.700 -0.064 0.000 1.008 110 T CA -0.212 61.885 62.100 -0.005 0.000 1.067 110 T CB 0.820 69.676 68.868 -0.020 0.000 0.996 110 T HN 0.080 8.319 8.240 -0.001 0.000 0.513 111 A N 2.842 125.607 122.820 -0.092 0.000 2.411 111 A HA 0.521 4.704 4.320 -0.458 -0.138 0.285 111 A C -1.800 175.572 177.584 -0.353 0.000 1.129 111 A CA -1.183 50.646 52.037 -0.347 0.000 0.736 111 A CB 2.365 21.196 19.000 -0.282 0.000 1.186 111 A HN 0.615 8.656 8.150 -0.016 0.099 0.445 112 R N 4.988 125.248 120.500 -0.399 0.000 2.248 112 R HA 0.167 4.522 4.340 -0.147 -0.104 0.328 112 R C -1.489 174.642 176.300 -0.282 0.000 1.067 112 R CA -0.105 55.842 56.100 -0.255 0.000 0.924 112 R CB 1.168 31.353 30.300 -0.192 0.000 1.013 112 R HN 0.841 8.774 8.270 -0.426 0.080 0.454 113 V N 6.775 126.625 119.914 -0.106 0.000 2.417 113 V HA 0.676 4.981 4.120 0.033 -0.165 0.291 113 V C -1.112 174.931 176.094 -0.084 0.000 1.024 113 V CA -1.089 61.205 62.300 -0.010 0.000 0.861 113 V CB 1.787 33.669 31.823 0.099 0.000 0.985 113 V HN 1.209 9.255 8.190 -0.061 0.108 0.436 114 S N 8.377 124.007 115.700 -0.117 0.000 2.500 114 S HA 0.687 5.178 4.470 -0.186 -0.133 0.301 114 S C -1.166 173.285 174.600 -0.248 0.000 1.092 114 S CA -0.572 57.513 58.200 -0.192 0.000 1.030 114 S CB 2.286 65.367 63.200 -0.199 0.000 1.031 114 S HN 1.102 9.260 8.310 -0.080 0.104 0.483 115 S N 2.097 117.585 115.700 -0.354 0.000 2.685 115 S HA 0.447 4.749 4.470 -0.280 0.000 0.282 115 S C -1.950 172.302 174.600 -0.580 0.000 1.159 115 S CA -1.252 56.738 58.200 -0.350 0.000 0.833 115 S CB 4.047 67.108 63.200 -0.232 0.000 1.151 115 S HN 0.978 8.955 8.310 -0.337 0.131 0.485 116 H N 0.373 119.333 119.070 -0.184 0.000 2.667 116 H HA 0.560 5.292 4.556 -0.089 -0.230 0.353 116 H C -0.211 175.049 175.328 -0.112 0.000 1.072 116 H CA -1.104 54.857 56.048 -0.145 0.000 1.214 116 H CB 2.820 32.460 29.762 -0.202 0.000 1.600 116 H HN 0.107 8.318 8.280 -0.115 0.000 0.527 117 C N 3.482 122.809 119.300 0.045 0.000 2.634 117 C HA -0.125 4.613 4.460 0.073 -0.234 0.418 117 C C 1.161 176.129 174.990 -0.037 0.000 1.373 117 C CA -0.480 58.569 59.018 0.053 0.000 1.756 117 C CB 1.424 29.218 27.740 0.090 0.000 2.589 117 C HN 0.142 8.397 8.230 0.043 0.000 0.602 118 A N 7.410 130.214 122.820 -0.028 0.000 2.239 118 A HA -0.193 4.029 4.320 -0.164 0.000 0.209 118 A C -1.081 176.183 177.584 -0.533 0.000 1.171 118 A CA 1.713 53.676 52.037 -0.124 0.000 0.768 118 A CB -0.362 18.685 19.000 0.077 0.000 0.790 118 A HN 0.269 8.418 8.150 -0.002 0.000 0.478 119 A N -4.649 117.814 122.820 -0.595 0.000 1.964 119 A HA 0.227 3.394 4.320 -1.921 0.000 0.198 119 A C 1.004 178.266 177.584 -0.537 0.000 1.599 119 A CA 1.595 52.947 52.037 -1.142 0.000 0.968 119 A CB 0.685 19.060 19.000 -1.041 0.000 1.029 119 A HN -0.528 7.426 8.150 -0.188 0.083 0.508 120 T N -1.955 112.448 114.554 -0.251 0.000 3.051 120 T HA 0.069 4.326 4.350 -0.156 0.000 0.255 120 T C 0.648 175.283 174.700 -0.109 0.000 1.085 120 T CA 0.713 62.729 62.100 -0.140 0.000 1.109 120 T CB 1.045 69.878 68.868 -0.059 0.000 0.921 120 T HN -0.546 7.596 8.240 -0.164 0.000 0.488 121 G N 0.311 109.051 108.800 -0.100 0.000 2.162 121 G HA2 -0.321 3.770 3.960 -0.056 0.000 0.260 121 G HA3 -0.321 3.590 3.960 -0.080 0.000 0.260 121 G C -0.837 174.064 174.900 0.002 0.000 0.976 121 G CA 0.174 45.239 45.100 -0.059 0.000 0.655 121 G HN -0.638 7.484 8.290 -0.109 0.102 0.533 122 A N 0.304 123.123 122.820 -0.001 0.000 2.520 122 A HA -0.045 4.276 4.320 0.002 0.000 0.235 122 A C -2.365 175.215 177.584 -0.005 0.000 1.065 122 A CA -0.789 51.251 52.037 0.004 0.000 0.764 122 A CB -0.045 18.959 19.000 0.006 0.000 1.002 122 A HN -0.254 7.814 8.150 -0.012 0.074 0.502 123 P HA 0.196 4.553 4.420 -0.286 -0.108 0.280 123 P C -1.355 175.864 177.300 -0.135 0.000 1.386 123 P CA -0.835 62.182 63.100 -0.138 0.000 0.899 123 P CB -0.732 30.919 31.700 -0.082 0.000 1.098 124 V N 2.474 122.285 119.914 -0.172 0.000 2.532 124 V HA 0.558 4.804 4.120 -0.024 -0.141 0.295 124 V C -1.283 174.747 176.094 -0.108 0.000 1.041 124 V CA -1.767 60.495 62.300 -0.064 0.000 0.926 124 V CB 2.355 34.215 31.823 0.062 0.000 0.992 124 V HN 0.820 8.745 8.190 -0.274 0.101 0.457 125 S N 2.724 118.402 115.700 -0.036 0.000 2.533 125 S HA 0.967 5.544 4.470 -0.086 -0.159 0.271 125 S C -1.668 172.944 174.600 0.020 0.000 1.143 125 S CA -0.617 57.554 58.200 -0.048 0.000 0.891 125 S CB 3.255 66.411 63.200 -0.074 0.000 1.105 125 S HN 0.965 9.280 8.310 0.007 0.000 0.468 126 L N 0.812 122.052 121.223 0.030 0.000 2.393 126 L HA 1.027 5.703 4.340 0.078 -0.289 0.260 126 L C -0.307 176.602 176.870 0.065 0.000 1.002 126 L CA -0.915 53.977 54.840 0.087 0.000 0.818 126 L CB 4.203 46.376 42.059 0.191 0.000 1.369 126 L HN 1.224 9.322 8.230 -0.011 0.126 0.412 127 T N 4.733 119.333 114.554 0.076 0.000 2.770 127 T HA 0.282 4.769 4.350 0.014 -0.129 0.297 127 T C -1.070 173.708 174.700 0.130 0.000 0.997 127 T CA -0.147 61.986 62.100 0.054 0.000 0.949 127 T CB -0.085 68.794 68.868 0.018 0.000 0.941 127 T HN 0.080 8.370 8.240 0.085 0.000 0.457 128 V N 8.979 128.996 119.914 0.171 0.000 2.348 128 V HA 0.003 4.388 4.120 0.441 0.000 0.270 128 V C -1.189 175.044 176.094 0.231 0.000 1.037 128 V CA -0.153 62.343 62.300 0.327 0.000 0.872 128 V CB -0.383 31.682 31.823 0.403 0.000 1.002 128 V HN 1.261 9.406 8.190 0.102 0.106 0.464 129 S N 8.841 124.652 115.700 0.186 0.000 2.718 129 S HA 0.533 5.067 4.470 0.107 0.000 0.300 129 S C -1.822 172.868 174.600 0.150 0.000 1.117 129 S CA -2.678 55.590 58.200 0.114 0.000 1.002 129 S CB 0.518 63.740 63.200 0.038 0.000 1.092 129 S HN 0.464 8.769 8.310 0.158 0.099 0.542 130 P HA 0.002 4.613 4.420 0.182 -0.082 0.230 130 P C -1.103 176.249 177.300 0.087 0.000 1.158 130 P CA 1.544 64.721 63.100 0.127 0.000 0.769 130 P CB 0.379 32.136 31.700 0.094 0.000 0.807 131 S N -3.658 112.053 115.700 0.020 0.000 2.575 131 S HA 0.008 4.473 4.470 -0.008 0.000 0.230 131 S C -0.344 174.163 174.600 -0.155 0.000 1.062 131 S CA 0.495 58.675 58.200 -0.034 0.000 0.913 131 S CB 1.301 64.488 63.200 -0.021 0.000 0.837 131 S HN -0.084 8.177 8.310 0.016 0.058 0.487 132 E N -2.734 117.337 120.200 -0.215 0.000 1.824 132 E HA -0.014 3.861 4.350 -0.792 0.000 0.224 132 E C -2.410 174.038 176.600 -0.254 0.000 1.787 132 E CA -0.605 55.560 56.400 -0.392 0.000 1.066 132 E CB 0.565 30.136 29.700 -0.216 0.000 1.445 132 E HN -0.691 7.600 8.360 -0.114 0.000 0.599 133 I N -3.687 116.778 120.570 -0.175 0.000 2.783 133 I HA 0.804 5.265 4.170 0.036 -0.269 0.312 133 I C -0.143 175.969 176.117 -0.009 0.000 0.988 133 I CA -1.482 59.808 61.300 -0.017 0.000 1.182 133 I CB 1.780 39.815 38.000 0.059 0.000 1.368 133 I HN 0.236 8.333 8.210 -0.189 0.000 0.511 134 Q N 0.550 120.358 119.800 0.012 0.000 1.989 134 Q HA 0.144 4.480 4.340 -0.007 0.000 0.215 134 Q C -1.470 174.531 176.000 0.002 0.000 0.809 134 Q CA -0.228 55.575 55.803 0.000 0.000 1.024 134 Q CB 1.383 30.118 28.738 -0.004 0.000 1.236 134 Q HN 0.293 8.583 8.270 0.033 0.000 0.429 135 A N -0.047 122.781 122.820 0.013 0.000 2.517 135 A HA 0.168 4.489 4.320 0.001 0.000 0.300 135 A C -2.482 175.117 177.584 0.025 0.000 1.225 135 A CA 0.596 52.638 52.037 0.009 0.000 0.883 135 A CB 1.328 20.328 19.000 -0.001 0.000 1.459 135 A HN -0.251 7.915 8.150 0.026 0.000 0.437 136 V N 3.362 123.289 119.914 0.022 0.000 2.350 136 V HA 0.271 4.428 4.120 0.063 0.000 0.276 136 V C -1.006 175.102 176.094 0.023 0.000 1.028 136 V CA -0.475 61.846 62.300 0.036 0.000 0.860 136 V CB 1.118 32.957 31.823 0.026 0.000 0.990 136 V HN 0.200 8.395 8.190 0.009 0.000 0.453 137 E N 7.784 128.003 120.200 0.031 0.000 2.287 137 E HA 0.460 4.890 4.350 0.014 -0.072 0.274 137 E C -2.661 173.956 176.600 0.027 0.000 0.896 137 E CA -2.995 53.415 56.400 0.017 0.000 0.788 137 E CB 3.988 33.688 29.700 -0.000 0.000 1.244 137 E HN 0.378 8.766 8.360 0.047 0.000 0.408 138 P HA 0.084 4.510 4.420 0.010 0.000 0.274 138 P C -1.280 176.033 177.300 0.022 0.000 1.237 138 P CA -0.404 62.708 63.100 0.020 0.000 0.793 138 P CB 0.901 32.614 31.700 0.021 0.000 0.977 139 A N 0.868 123.693 122.820 0.008 0.000 2.993 139 A HA -0.237 4.082 4.320 -0.002 0.000 0.281 139 A C -0.262 177.320 177.584 -0.002 0.000 1.847 139 A CA 0.632 52.668 52.037 -0.002 0.000 1.470 139 A CB -1.649 17.344 19.000 -0.012 0.000 1.028 139 A HN 0.449 8.601 8.150 0.004 0.000 0.604 140 G N 2.568 111.372 108.800 0.007 0.000 3.216 140 G HA2 -0.174 3.784 3.960 -0.005 0.000 0.221 140 G HA3 -0.174 3.790 3.960 0.006 0.000 0.221 140 G C -0.838 174.077 174.900 0.025 0.000 0.949 140 G CA -0.171 44.934 45.100 0.008 0.000 0.952 140 G HN 0.248 8.519 8.290 0.017 0.029 0.657 141 M N -0.809 118.816 119.600 0.042 0.000 2.240 141 M HA 0.245 4.964 4.480 0.073 -0.195 0.317 141 M C -1.448 174.854 176.300 0.002 0.000 1.087 141 M CA 0.641 55.975 55.300 0.058 0.000 1.176 141 M CB 0.282 32.952 32.600 0.117 0.000 1.439 141 M HN -0.625 7.692 8.290 0.045 0.000 0.452 142 A N -0.493 122.320 122.820 -0.011 0.000 2.413 142 A HA 0.772 5.100 4.320 -0.100 -0.068 0.307 142 A C -2.283 175.123 177.584 -0.296 0.000 1.087 142 A CA -1.598 50.399 52.037 -0.066 0.000 0.750 142 A CB 3.871 22.923 19.000 0.086 0.000 1.296 142 A HN 1.096 9.162 8.150 0.062 0.121 0.423 143 V N 0.208 119.884 119.914 -0.397 0.000 2.769 143 V HA 0.452 4.103 4.120 -0.927 -0.088 0.312 143 V C -1.410 174.599 176.094 -0.142 0.000 1.058 143 V CA -1.892 60.040 62.300 -0.613 0.000 0.952 143 V CB 3.410 34.786 31.823 -0.745 0.000 1.019 143 V HN 1.236 9.158 8.190 -0.237 0.126 0.445 144 S N 1.917 117.556 115.700 -0.102 0.000 2.513 144 S HA 0.851 5.520 4.470 0.105 -0.136 0.299 144 S C -1.670 172.894 174.600 -0.061 0.000 1.087 144 S CA -1.367 56.848 58.200 0.026 0.000 1.012 144 S CB 2.616 65.889 63.200 0.123 0.000 1.044 144 S HN 0.890 9.009 8.310 -0.148 0.102 0.485 145 L N 2.116 123.305 121.223 -0.057 0.000 2.301 145 L HA 0.462 4.730 4.340 -0.120 0.000 0.249 145 L C -1.891 174.900 176.870 -0.133 0.000 1.069 145 L CA -1.247 53.539 54.840 -0.090 0.000 0.865 145 L CB 5.098 47.139 42.059 -0.030 0.000 1.467 145 L HN 0.905 9.019 8.230 -0.014 0.107 0.419 146 V N -0.477 119.363 119.914 -0.123 0.000 3.001 146 V HA 0.559 4.640 4.120 -0.184 -0.072 0.314 146 V C -0.985 175.069 176.094 -0.066 0.000 1.099 146 V CA -1.893 60.316 62.300 -0.152 0.000 0.989 146 V CB 2.654 34.340 31.823 -0.227 0.000 1.040 146 V HN 0.072 8.216 8.190 -0.078 0.000 0.434 147 L N 4.330 125.512 121.223 -0.067 0.000 2.375 147 L HA 0.406 4.746 4.340 -0.000 0.000 0.271 147 L C -1.590 175.290 176.870 0.017 0.000 1.107 147 L CA -2.303 52.527 54.840 -0.017 0.000 0.806 147 L CB 0.612 42.657 42.059 -0.024 0.000 1.146 147 L HN -0.169 7.995 8.230 -0.111 0.000 0.447 148 P HA 0.068 4.535 4.420 0.079 0.000 0.271 148 P C -1.190 176.144 177.300 0.057 0.000 1.226 148 P CA -0.366 62.771 63.100 0.062 0.000 0.765 148 P CB 0.531 32.269 31.700 0.064 0.000 0.835 149 Q N 3.265 123.111 119.800 0.077 0.000 2.306 149 Q HA 0.223 4.596 4.340 0.055 0.000 0.265 149 Q C -0.392 175.642 176.000 0.057 0.000 1.022 149 Q CA -0.379 55.467 55.803 0.072 0.000 0.853 149 Q CB 1.746 30.549 28.738 0.108 0.000 1.327 149 Q HN 0.284 8.612 8.270 0.096 0.000 0.449 150 E N 2.484 122.709 120.200 0.042 0.000 3.428 150 E HA 0.124 4.492 4.350 0.031 0.000 0.191 150 E C -1.119 175.495 176.600 0.024 0.000 0.980 150 E CA 0.324 56.742 56.400 0.030 0.000 1.305 150 E CB 0.323 30.038 29.700 0.025 0.000 1.105 150 E HN 0.232 8.616 8.360 0.040 0.000 0.455 151 A N -1.310 121.527 122.820 0.029 0.000 2.758 151 A HA 0.243 4.572 4.320 0.015 0.000 0.223 151 A C -1.805 175.793 177.584 0.022 0.000 0.877 151 A CA 0.569 52.619 52.037 0.022 0.000 1.152 151 A CB 0.167 19.179 19.000 0.021 0.000 1.239 151 A HN -0.109 8.064 8.150 0.039 0.000 0.470 152 A N 0.401 123.233 122.820 0.020 0.000 2.386 152 A HA 0.311 4.638 4.320 0.012 0.000 0.308 152 A C -0.749 176.831 177.584 -0.008 0.000 1.128 152 A CA -0.920 51.123 52.037 0.011 0.000 0.789 152 A CB 1.134 20.145 19.000 0.019 0.000 1.325 152 A HN -0.341 7.821 8.150 0.020 0.000 0.437 153 D N -0.380 120.007 120.400 -0.021 0.000 2.278 153 D HA -0.122 4.506 4.640 -0.021 0.000 0.240 153 D C -0.426 175.851 176.300 -0.039 0.000 1.347 153 D CA -0.335 53.648 54.000 -0.029 0.000 0.945 153 D CB 0.363 41.141 40.800 -0.036 0.000 1.175 153 D HN -0.199 8.158 8.370 -0.023 0.000 0.519 154 V N -5.439 114.450 119.914 -0.040 0.000 2.398 154 V HA 0.252 4.345 4.120 -0.045 0.000 0.286 154 V C -0.530 175.528 176.094 -0.060 0.000 1.026 154 V CA -0.743 61.530 62.300 -0.045 0.000 0.868 154 V CB 0.559 32.361 31.823 -0.035 0.000 0.982 154 V HN -0.064 8.104 8.190 -0.036 0.000 0.443 155 R N 6.587 127.042 120.500 -0.075 0.000 2.380 155 R HA 0.006 4.298 4.340 -0.080 0.000 0.030 155 R C -0.068 176.165 176.300 -0.111 0.000 0.818 155 R CA 0.645 56.690 56.100 -0.091 0.000 3.287 155 R CB 0.990 31.229 30.300 -0.102 0.000 0.949 155 R HN 0.606 8.832 8.270 -0.072 0.000 0.552 156 Q N -2.466 117.256 119.800 -0.129 0.000 2.305 156 Q HA 0.058 4.331 4.340 -0.111 0.000 0.176 156 Q C -1.917 174.010 176.000 -0.122 0.000 0.708 156 Q CA 0.210 55.931 55.803 -0.137 0.000 0.888 156 Q CB 2.342 30.970 28.738 -0.183 0.000 1.240 156 Q HN 0.180 8.370 8.270 -0.132 0.000 0.392 157 S N -1.669 113.917 115.700 -0.190 0.000 3.706 157 S HA -0.289 4.030 4.470 -0.252 0.000 0.363 157 S C -1.092 173.511 174.600 0.004 0.000 0.999 157 S CA 0.858 58.974 58.200 -0.139 0.000 1.143 157 S CB -0.827 62.364 63.200 -0.014 0.000 0.902 157 S HN 0.163 8.327 8.310 -0.244 0.000 0.476 158 F N -4.038 115.895 119.950 -0.029 0.000 2.685 158 F HA -0.381 4.114 4.527 -0.053 0.000 0.336 158 F C -0.063 175.736 175.800 -0.003 0.000 1.061 158 F CA -0.180 57.813 58.000 -0.012 0.000 1.118 158 F CB -1.897 37.139 39.000 0.060 0.000 1.436 158 F HN -0.187 7.798 8.300 -0.525 0.000 0.816 159 C N -2.368 116.974 119.300 0.070 0.000 2.410 159 C HA -0.347 4.124 4.460 0.019 0.000 0.281 159 C C 0.052 175.064 174.990 0.037 0.000 1.318 159 C CA 2.127 61.157 59.018 0.020 0.000 1.776 159 C CB 0.016 27.723 27.740 -0.056 0.000 1.942 159 C HN 0.333 8.558 8.230 -0.008 0.000 0.508 160 C N -3.952 115.406 119.300 0.098 0.000 3.217 160 C HA 0.042 4.514 4.460 0.020 0.000 0.220 160 C C -0.822 174.266 174.990 0.163 0.000 2.519 160 C CA -0.091 58.972 59.018 0.074 0.000 1.255 160 C CB 1.051 28.809 27.740 0.030 0.000 1.291 160 C HN -0.607 7.676 8.230 0.150 0.037 0.714 161 H N 0.423 119.542 119.070 0.081 0.000 2.791 161 H HA -0.394 4.241 4.556 0.131 0.000 0.302 161 H C -2.488 172.655 175.328 -0.307 0.000 1.198 161 H CA -0.073 55.971 56.048 -0.008 0.000 1.145 161 H CB -0.942 28.848 29.762 0.047 0.000 1.385 161 H HN 0.032 8.473 8.280 0.268 0.000 0.409 162 V N -0.731 119.124 119.914 -0.099 0.000 2.333 162 V HA 0.127 4.295 4.120 -0.201 -0.168 0.274 162 V C -1.003 175.105 176.094 0.023 0.000 1.028 162 V CA -0.044 62.179 62.300 -0.129 0.000 0.851 162 V CB 0.714 32.503 31.823 -0.056 0.000 1.000 162 V HN -0.919 7.267 8.190 0.015 0.013 0.456 163 H N 6.818 125.924 119.070 0.061 0.000 2.737 163 H HA 0.349 5.099 4.556 0.324 0.000 0.358 163 H C -1.507 173.883 175.328 0.104 0.000 1.187 163 H CA -2.412 53.707 56.048 0.118 0.000 1.221 163 H CB 4.105 33.848 29.762 -0.032 0.000 1.799 163 H HN 0.041 8.193 8.280 -0.213 0.000 0.568 164 F N -2.982 116.884 119.950 -0.141 0.000 2.538 164 F HA 0.470 4.986 4.527 -0.180 -0.097 0.325 164 F C -1.266 174.283 175.800 -0.419 0.000 1.066 164 F CA -1.628 56.245 58.000 -0.210 0.000 0.946 164 F CB 3.757 42.748 39.000 -0.015 0.000 1.199 164 F HN 0.584 9.081 8.300 0.328 0.000 0.473 165 F N -0.676 119.362 119.950 0.146 0.000 2.529 165 F HA 0.380 4.963 4.527 0.093 0.000 0.320 165 F C -0.052 175.781 175.800 0.056 0.000 1.118 165 F CA -2.121 55.932 58.000 0.088 0.000 0.915 165 F CB 2.919 41.961 39.000 0.069 0.000 1.161 165 F HN 1.323 9.488 8.300 -0.014 0.127 0.445 166 A N 3.674 126.639 122.820 0.241 0.000 2.054 166 A HA -0.322 4.070 4.320 0.119 0.000 0.223 166 A C -0.838 176.811 177.584 0.108 0.000 1.169 166 A CA 3.040 55.157 52.037 0.134 0.000 0.655 166 A CB -0.070 18.981 19.000 0.085 0.000 0.812 166 A HN 0.216 8.523 8.150 0.261 0.000 0.462 167 S N -9.033 106.741 115.700 0.124 0.000 2.636 167 S HA 0.282 5.033 4.470 0.064 -0.243 0.266 167 S C 0.104 174.745 174.600 0.069 0.000 1.147 167 S CA -0.940 57.305 58.200 0.074 0.000 0.815 167 S CB 2.145 65.371 63.200 0.043 0.000 1.119 167 S HN -0.862 7.510 8.310 0.182 0.047 0.470 168 V N 1.039 120.975 119.914 0.037 0.000 2.515 168 V HA -0.080 4.060 4.120 0.034 0.000 0.250 168 V C -0.420 175.670 176.094 -0.007 0.000 1.058 168 V CA 4.821 67.133 62.300 0.020 0.000 1.064 168 V CB -2.315 29.516 31.823 0.014 0.000 0.675 168 V HN 0.687 8.895 8.190 0.029 0.000 0.461 169 P HA 0.024 4.433 4.420 -0.018 0.000 0.218 169 P C 1.537 178.818 177.300 -0.032 0.000 1.152 169 P CA 2.916 66.007 63.100 -0.015 0.000 0.826 169 P CB -0.270 31.428 31.700 -0.003 0.000 0.790 170 T N 0.469 115.006 114.554 -0.028 0.000 2.896 170 T HA -0.280 4.054 4.350 -0.027 0.000 0.263 170 T C 1.294 175.861 174.700 -0.222 0.000 1.050 170 T CA 4.318 66.387 62.100 -0.052 0.000 1.140 170 T CB -0.526 68.344 68.868 0.003 0.000 0.877 170 T HN -0.683 7.554 8.240 -0.004 0.000 0.457 171 A N 1.645 124.322 122.820 -0.237 0.000 1.877 171 A HA -0.284 2.945 4.320 -1.819 0.000 0.216 171 A C 1.958 179.288 177.584 -0.423 0.000 1.186 171 A CA 3.381 55.075 52.037 -0.572 0.000 0.620 171 A CB -0.707 18.322 19.000 0.048 0.000 0.822 171 A HN 0.617 8.548 8.150 -0.063 0.181 0.443 172 E N -2.702 117.395 120.200 -0.171 0.000 2.216 172 E HA -0.275 4.011 4.350 -0.106 0.000 0.192 172 E C 2.014 178.554 176.600 -0.099 0.000 0.988 172 E CA 2.360 58.695 56.400 -0.107 0.000 0.834 172 E CB -0.018 29.650 29.700 -0.053 0.000 0.772 172 E HN 0.403 8.561 8.360 -0.113 0.135 0.479 173 D N 1.829 122.179 120.400 -0.083 0.000 2.085 173 D HA -0.235 4.390 4.640 -0.026 0.000 0.199 173 D C 1.322 177.624 176.300 0.003 0.000 0.981 173 D CA 3.374 57.360 54.000 -0.024 0.000 0.834 173 D CB 0.305 41.112 40.800 0.013 0.000 0.992 173 D HN 0.357 8.413 8.370 -0.097 0.256 0.457 174 W N -0.895 120.248 121.300 -0.263 0.000 2.392 174 W HA -0.276 4.297 4.660 -0.146 0.000 0.279 174 W C 0.666 177.062 176.519 -0.204 0.000 1.225 174 W CA 2.003 59.194 57.345 -0.258 0.000 1.233 174 W CB 0.358 29.584 29.460 -0.390 0.000 1.122 174 W HN 0.480 8.525 8.180 -0.001 0.134 0.561 175 A N -1.291 121.391 122.820 -0.231 0.000 1.902 175 A HA -0.344 3.925 4.320 -0.085 0.000 0.217 175 A C 2.374 179.875 177.584 -0.137 0.000 1.181 175 A CA 2.445 54.388 52.037 -0.156 0.000 0.623 175 A CB -0.350 18.581 19.000 -0.115 0.000 0.818 175 A HN -0.361 7.510 8.150 -0.237 0.137 0.443 176 S N -0.932 114.690 115.700 -0.129 0.000 2.374 176 S HA -0.290 4.129 4.470 -0.085 0.000 0.227 176 S C 1.463 175.977 174.600 -0.143 0.000 1.037 176 S CA 3.341 61.477 58.200 -0.106 0.000 1.024 176 S CB -0.215 62.941 63.200 -0.074 0.000 0.861 176 S HN -0.213 7.932 8.310 -0.118 0.095 0.456 177 K N -1.708 118.549 120.400 -0.239 0.000 2.500 177 K HA 0.104 4.307 4.320 -0.194 0.000 0.206 177 K C -0.379 176.003 176.600 -0.365 0.000 1.034 177 K CA -0.482 55.620 56.287 -0.307 0.000 1.179 177 K CB -0.471 31.800 32.500 -0.381 0.000 0.884 177 K HN -0.715 7.275 8.250 -0.273 0.096 0.493 178 H N -1.158 117.660 119.070 -0.420 0.000 2.575 178 H HA 0.286 4.643 4.556 -0.331 0.000 0.256 178 H C -1.389 173.835 175.328 -0.175 0.000 1.162 178 H CA -1.462 54.383 56.048 -0.338 0.000 0.969 178 H CB 0.835 30.374 29.762 -0.371 0.000 1.796 178 H HN -0.052 7.887 8.280 -0.184 0.230 0.607 179 Q N -0.997 118.716 119.800 -0.145 0.000 2.185 179 Q HA 0.019 4.268 4.340 -0.153 0.000 0.225 179 Q C 1.138 177.061 176.000 -0.129 0.000 0.983 179 Q CA 0.180 55.902 55.803 -0.135 0.000 0.950 179 Q CB 1.011 29.694 28.738 -0.092 0.000 1.176 179 Q HN -0.654 7.479 8.270 -0.127 0.061 0.510 180 G N -1.345 107.394 108.800 -0.102 0.000 2.284 180 G HA2 -0.376 3.553 3.960 -0.052 0.000 0.230 180 G HA3 -0.376 3.547 3.960 -0.061 0.000 0.230 180 G C -0.347 174.510 174.900 -0.072 0.000 1.021 180 G CA -0.230 44.828 45.100 -0.071 0.000 0.619 180 G HN 0.461 8.694 8.290 -0.096 0.000 0.510 181 L N -0.112 121.033 121.223 -0.130 0.000 2.394 181 L HA -0.044 4.268 4.340 -0.046 0.000 0.229 181 L C 0.736 177.543 176.870 -0.105 0.000 1.225 181 L CA -0.127 54.638 54.840 -0.126 0.000 0.829 181 L CB 0.250 42.151 42.059 -0.263 0.000 1.195 181 L HN -0.401 7.619 8.230 -0.187 0.098 0.548 182 E N 1.354 121.483 120.200 -0.119 0.000 2.323 182 E HA -0.180 4.161 4.350 -0.015 0.000 0.313 182 E C 0.334 176.861 176.600 -0.121 0.000 1.236 182 E CA 0.660 57.015 56.400 -0.075 0.000 1.333 182 E CB -2.003 27.693 29.700 -0.006 0.000 1.138 182 E HN 0.319 8.580 8.360 -0.165 0.000 0.492 183 G N 1.838 110.577 108.800 -0.102 0.000 4.933 183 G HA2 -0.414 3.505 3.960 -0.068 0.000 0.285 183 G HA3 -0.414 3.498 3.960 -0.079 0.000 0.285 183 G C -1.539 173.286 174.900 -0.124 0.000 1.596 183 G CA -0.395 44.649 45.100 -0.092 0.000 1.081 183 G HN 0.448 8.625 8.290 -0.087 0.061 0.710 184 L N 1.108 122.237 121.223 -0.156 0.000 2.149 184 L HA -0.468 3.987 4.340 -0.188 -0.228 0.464 184 L C -1.721 175.102 176.870 -0.079 0.000 1.003 184 L CA 0.478 55.222 54.840 -0.160 0.000 1.247 184 L CB 0.290 42.220 42.059 -0.215 0.000 1.117 184 L HN -0.392 7.818 8.230 -0.163 -0.078 0.567 185 A N 5.045 127.838 122.820 -0.046 0.000 2.539 185 A HA 0.475 4.789 4.320 -0.010 0.000 0.296 185 A C -2.586 175.016 177.584 0.030 0.000 1.073 185 A CA -0.869 51.162 52.037 -0.011 0.000 0.700 185 A CB 3.793 22.782 19.000 -0.018 0.000 1.296 185 A HN 0.775 8.768 8.150 -0.062 0.120 0.405 186 I N 1.088 121.684 120.570 0.043 0.000 2.676 186 I HA 0.852 5.225 4.170 0.129 -0.126 0.309 186 I C -0.336 175.801 176.117 0.034 0.000 0.990 186 I CA -2.294 59.052 61.300 0.078 0.000 1.168 186 I CB 1.313 39.360 38.000 0.078 0.000 1.343 186 I HN 0.203 8.427 8.210 0.023 0.000 0.482 187 V N -1.725 118.204 119.914 0.023 0.000 3.264 187 V HA 0.455 4.580 4.120 0.007 0.000 0.294 187 V C -1.996 174.082 176.094 -0.027 0.000 1.429 187 V CA -1.740 60.558 62.300 -0.003 0.000 1.053 187 V CB 3.278 35.094 31.823 -0.013 0.000 1.128 187 V HN 0.842 9.057 8.190 0.042 0.000 0.452 188 S N 2.027 117.726 115.700 -0.002 0.000 2.489 188 S HA 0.281 4.741 4.470 -0.018 0.000 0.277 188 S C 1.694 176.307 174.600 0.021 0.000 1.230 188 S CA -0.724 57.483 58.200 0.011 0.000 1.053 188 S CB 0.502 63.739 63.200 0.061 0.000 0.955 188 S HN 0.350 8.669 8.310 0.014 0.000 0.488 189 V N 4.571 124.472 119.914 -0.021 0.000 2.636 189 V HA -0.516 3.588 4.120 -0.025 0.000 0.258 189 V C 0.172 176.401 176.094 0.226 0.000 1.092 189 V CA 3.860 66.191 62.300 0.050 0.000 1.110 189 V CB -0.198 31.686 31.823 0.101 0.000 0.685 189 V HN -0.032 8.118 8.190 -0.067 0.000 0.481 190 H N -0.463 118.651 119.070 0.074 0.000 2.363 190 H HA -0.237 4.386 4.556 0.112 0.000 0.301 190 H C 1.705 177.090 175.328 0.096 0.000 1.074 190 H CA 2.644 58.743 56.048 0.085 0.000 1.354 190 H CB 0.343 30.129 29.762 0.039 0.000 1.397 190 H HN 0.060 8.406 8.280 0.221 0.066 0.516 191 E N -1.827 118.437 120.200 0.107 0.000 2.299 191 E HA -0.146 4.190 4.350 -0.023 0.000 0.193 191 E C 1.602 178.232 176.600 0.051 0.000 0.998 191 E CA 1.226 57.645 56.400 0.031 0.000 0.851 191 E CB 0.012 29.727 29.700 0.024 0.000 0.795 191 E HN 0.108 8.448 8.360 0.141 0.104 0.492 192 A N -0.346 122.520 122.820 0.077 0.000 2.066 192 A HA -0.145 4.196 4.320 0.035 0.000 0.218 192 A C 1.675 179.307 177.584 0.080 0.000 1.157 192 A CA 2.707 54.779 52.037 0.059 0.000 0.670 192 A CB -0.698 18.319 19.000 0.028 0.000 0.804 192 A HN 0.456 8.523 8.150 0.092 0.137 0.453 193 F N -1.433 118.532 119.950 0.025 0.000 2.512 193 F HA -0.134 4.414 4.527 0.035 0.000 0.296 193 F C 1.460 177.251 175.800 -0.014 0.000 1.110 193 F CA 2.023 60.035 58.000 0.020 0.000 1.446 193 F CB 0.348 39.368 39.000 0.034 0.000 1.092 193 F HN -0.619 7.814 8.300 0.277 0.034 0.554 194 G N -1.358 107.547 108.800 0.174 0.000 2.453 194 G HA2 -0.236 3.784 3.960 0.101 0.000 0.215 194 G HA3 -0.236 3.732 3.960 0.013 0.000 0.215 194 G C 0.655 175.565 174.900 0.016 0.000 1.147 194 G CA 1.566 46.709 45.100 0.071 0.000 0.802 194 G HN -0.414 7.812 8.290 0.138 0.146 0.535 195 L N 0.616 121.845 121.223 0.009 0.000 2.270 195 L HA 0.021 4.284 4.340 -0.128 0.000 0.210 195 L C 1.451 178.352 176.870 0.052 0.000 1.104 195 L CA 1.983 56.799 54.840 -0.040 0.000 0.804 195 L CB 0.061 42.110 42.059 -0.017 0.000 0.937 195 L HN -0.401 7.851 8.230 0.036 0.000 0.450 196 G N -3.391 105.455 108.800 0.077 0.000 2.494 196 G HA2 -0.193 3.955 3.960 0.313 0.000 0.216 196 G HA3 -0.193 3.759 3.960 -0.100 -0.053 0.216 196 G C 0.432 175.341 174.900 0.014 0.000 1.140 196 G CA 1.442 46.585 45.100 0.072 0.000 0.801 196 G HN -0.460 7.744 8.290 0.040 0.110 0.536 197 Q N -0.096 119.728 119.800 0.040 0.000 2.331 197 Q HA -0.135 4.235 4.340 0.050 0.000 0.203 197 Q C 1.197 177.233 176.000 0.060 0.000 0.944 197 Q CA 2.013 57.867 55.803 0.085 0.000 0.892 197 Q CB 0.083 28.944 28.738 0.206 0.000 0.983 197 Q HN -0.416 7.676 8.270 0.066 0.217 0.482 198 E N -1.158 119.034 120.200 -0.014 0.000 2.230 198 E HA -0.171 4.153 4.350 -0.043 0.000 0.192 198 E C 1.846 178.339 176.600 -0.179 0.000 0.987 198 E CA 1.875 58.207 56.400 -0.114 0.000 0.841 198 E CB -0.048 29.513 29.700 -0.232 0.000 0.783 198 E HN -0.626 7.587 8.360 -0.021 0.134 0.481 199 F N -1.078 118.763 119.950 -0.181 0.000 2.192 199 F HA -0.331 4.038 4.527 -0.263 0.000 0.301 199 F C 1.371 177.183 175.800 0.021 0.000 1.079 199 F CA 3.679 61.591 58.000 -0.147 0.000 1.303 199 F CB -0.319 38.598 39.000 -0.138 0.000 1.024 199 F HN -0.650 7.653 8.300 0.048 0.026 0.494 200 N N -1.419 117.426 118.700 0.242 0.000 2.036 200 N HA -0.438 4.581 4.740 0.464 0.000 0.195 200 N C 2.223 177.883 175.510 0.249 0.000 1.037 200 N CA 3.530 56.776 53.050 0.326 0.000 0.855 200 N CB -0.931 37.764 38.487 0.347 0.000 1.033 200 N HN -0.443 8.013 8.380 0.177 0.029 0.423 201 R N 0.141 120.751 120.500 0.182 0.000 2.127 201 R HA -0.331 4.098 4.340 0.147 0.000 0.238 201 R C 2.725 179.172 176.300 0.244 0.000 1.134 201 R CA 3.198 59.404 56.100 0.176 0.000 0.975 201 R CB -0.150 30.236 30.300 0.144 0.000 0.865 201 R HN -0.479 7.874 8.270 0.139 0.000 0.447 202 H N -1.375 117.741 119.070 0.077 0.000 2.363 202 H HA -0.172 4.406 4.556 0.037 0.000 0.301 202 H C 2.190 177.588 175.328 0.116 0.000 1.074 202 H CA 2.268 58.359 56.048 0.071 0.000 1.354 202 H CB 0.485 30.273 29.762 0.044 0.000 1.397 202 H HN -0.740 7.585 8.280 0.291 0.129 0.516 203 L N -2.917 118.487 121.223 0.301 0.000 2.179 203 L HA -0.125 4.332 4.340 0.195 0.000 0.208 203 L C 1.064 178.028 176.870 0.156 0.000 1.096 203 L CA 1.664 56.639 54.840 0.225 0.000 0.779 203 L CB 0.196 42.415 42.059 0.266 0.000 0.922 203 L HN -0.064 8.287 8.230 0.343 0.085 0.443 204 L N -3.135 118.181 121.223 0.155 0.000 2.127 204 L HA -0.291 4.099 4.340 0.083 0.000 0.211 204 L C 0.010 176.923 176.870 0.070 0.000 1.089 204 L CA 1.423 56.324 54.840 0.100 0.000 0.757 204 L CB 0.322 42.440 42.059 0.098 0.000 0.899 204 L HN -0.188 8.051 8.230 0.194 0.107 0.434 205 Q N -3.116 116.727 119.800 0.071 0.000 2.271 205 Q HA -0.131 4.229 4.340 0.032 0.000 0.273 205 Q C 0.938 176.958 176.000 0.033 0.000 1.051 205 Q CA 0.115 55.941 55.803 0.039 0.000 0.901 205 Q CB -0.009 28.739 28.738 0.018 0.000 1.174 205 Q HN -0.582 7.718 8.270 0.094 0.026 0.385 206 T N 4.445 119.013 114.554 0.023 0.000 2.684 206 T HA -0.226 4.137 4.350 0.022 0.000 0.267 206 T C 0.519 175.227 174.700 0.013 0.000 1.036 206 T CA 2.153 64.263 62.100 0.018 0.000 1.148 206 T CB 0.409 69.283 68.868 0.011 0.000 0.863 206 T HN 0.373 8.625 8.240 0.020 0.000 0.436 207 M N -2.090 117.514 119.600 0.007 0.000 2.643 207 M HA 0.114 4.596 4.480 0.004 0.000 0.276 207 M C -1.663 174.634 176.300 -0.006 0.000 1.200 207 M CA -0.086 55.215 55.300 0.002 0.000 0.863 207 M CB 2.903 35.503 32.600 0.000 0.000 1.711 207 M HN -0.263 8.030 8.290 0.006 0.000 0.492 208 S N -0.012 115.681 115.700 -0.012 0.000 3.760 208 S HA -0.126 4.331 4.470 -0.021 0.000 0.734 208 S C -1.669 172.910 174.600 -0.035 0.000 1.581 208 S CA 0.718 58.905 58.200 -0.020 0.000 1.575 208 S CB 0.176 63.367 63.200 -0.016 0.000 0.391 208 S HN 0.103 8.408 8.310 -0.008 0.000 0.901 209 S N 0.675 116.347 115.700 -0.046 0.000 2.385 209 S HA 0.074 4.504 4.470 -0.066 0.000 0.191 209 S C -1.106 173.459 174.600 -0.058 0.000 1.196 209 S CA -0.349 57.808 58.200 -0.072 0.000 1.178 209 S CB 1.096 64.220 63.200 -0.127 0.000 1.258 209 S HN 0.227 8.514 8.310 -0.039 0.000 0.430 210 R N 4.594 125.070 120.500 -0.040 0.000 2.202 210 R HA 0.207 4.529 4.340 -0.030 0.000 0.334 210 R C -0.599 175.685 176.300 -0.027 0.000 1.036 210 R CA 0.245 56.327 56.100 -0.029 0.000 0.878 210 R CB -0.388 29.901 30.300 -0.018 0.000 1.067 210 R HN 0.047 8.297 8.270 -0.034 0.000 0.457 211 T N 2.471 117.009 114.554 -0.027 0.000 3.939 211 T HA 0.056 4.399 4.350 -0.013 0.000 0.285 211 T C -1.958 172.732 174.700 -0.016 0.000 0.828 211 T CA 0.113 62.202 62.100 -0.019 0.000 1.205 211 T CB 0.034 68.890 68.868 -0.021 0.000 0.943 211 T HN -0.033 8.190 8.240 -0.028 0.000 0.427 212 P HA 0.000 4.414 4.420 -0.010 0.000 0.216 212 P CA 0.000 63.091 63.100 -0.016 0.000 0.800 212 P CB 0.000 31.688 31.700 -0.021 0.000 0.726