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 2gol_1_B DATA FIRST_RESID 144 DATA SEQUENCE HQAISPRTLN AWVKVVEEKA FSPEVIPMFS ALSEGATPQD LNTMLNTVGG DATA SEQUENCE HQAAMQMLKE TINEEAAEWD RLHPVHAGPI APGQMREPRG SDIAGTTSTL DATA SEQUENCE QEQIGWMTHN PPIPVGEIYK RWIILGLNKI VRMYS 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 144 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 144 H C 0.000 175.319 175.328 -0.014 0.000 0.993 144 H CA 0.000 56.038 56.048 -0.016 0.000 1.023 144 H CB 0.000 29.751 29.762 -0.018 0.000 1.292 145 Q N 4.213 123.603 119.800 -0.683 0.000 2.312 145 Q HA 0.746 5.086 4.340 -0.001 0.000 0.263 145 Q C -0.670 174.877 176.000 -0.755 0.000 0.995 145 Q CA -0.624 54.865 55.803 -0.523 0.000 0.853 145 Q CB 1.746 30.332 28.738 -0.253 0.000 1.300 145 Q HN 0.786 9.056 8.270 -0.000 0.000 0.448 146 A N 3.763 126.349 122.820 -0.391 0.000 2.327 146 A HA 0.268 4.588 4.320 -0.001 0.000 0.255 146 A C 0.190 177.711 177.584 -0.105 0.000 1.099 146 A CA -0.532 51.408 52.037 -0.161 0.000 0.801 146 A CB 0.152 19.147 19.000 -0.008 0.000 1.062 146 A HN 0.932 9.082 8.150 -0.000 0.000 0.496 147 I N 0.849 121.393 120.570 -0.044 0.000 2.880 147 I HA 0.061 4.230 4.170 -0.001 0.000 0.296 147 I C 0.926 177.023 176.117 -0.033 0.000 1.220 147 I CA 0.470 61.742 61.300 -0.046 0.000 1.435 147 I CB 0.590 38.567 38.000 -0.037 0.000 1.339 147 I HN 0.779 8.989 8.210 -0.000 0.000 0.583 148 S N 6.162 121.843 115.700 -0.032 0.000 2.632 148 S HA 0.436 4.906 4.470 -0.001 0.000 0.271 148 S C -1.794 172.808 174.600 0.003 0.000 1.260 148 S CA -1.107 57.081 58.200 -0.020 0.000 1.010 148 S CB 1.355 64.538 63.200 -0.027 0.000 0.965 148 S HN 0.535 8.845 8.310 -0.000 0.000 0.534 149 P HA -0.096 4.324 4.420 -0.000 0.000 0.216 149 P C 1.417 178.731 177.300 0.024 0.000 1.150 149 P CA 1.258 64.370 63.100 0.019 0.000 0.843 149 P CB 0.088 31.794 31.700 0.011 0.000 0.787 150 R N -1.366 119.142 120.500 0.014 0.000 2.090 150 R HA -0.025 4.314 4.340 -0.001 0.000 0.228 150 R C 2.198 178.515 176.300 0.028 0.000 1.110 150 R CA 1.604 57.714 56.100 0.016 0.000 0.973 150 R CB -1.119 29.183 30.300 0.005 0.000 0.869 150 R HN 0.192 8.462 8.270 -0.000 0.000 0.440 151 T N 1.831 116.398 114.554 0.023 0.000 2.684 151 T HA -0.134 4.216 4.350 -0.001 0.000 0.267 151 T C 1.863 176.620 174.700 0.095 0.000 1.036 151 T CA 1.189 63.310 62.100 0.035 0.000 1.148 151 T CB -0.189 68.677 68.868 -0.003 0.000 0.863 151 T HN 0.130 8.370 8.240 -0.000 0.000 0.436 152 L N 1.044 122.328 121.223 0.101 0.000 2.083 152 L HA -0.124 4.215 4.340 -0.001 0.000 0.209 152 L C 2.597 179.559 176.870 0.153 0.000 1.083 152 L CA 0.940 55.886 54.840 0.178 0.000 0.752 152 L CB -0.620 41.520 42.059 0.135 0.000 0.899 152 L HN 0.203 8.433 8.230 -0.000 0.000 0.433 153 N N 0.354 119.103 118.700 0.081 0.000 2.084 153 N HA -0.150 4.589 4.740 -0.001 0.000 0.190 153 N C 1.924 177.459 175.510 0.043 0.000 1.030 153 N CA 1.580 54.656 53.050 0.043 0.000 0.849 153 N CB -0.368 38.133 38.487 0.023 0.000 1.012 153 N HN 0.312 8.692 8.380 -0.000 0.000 0.423 154 A N 1.057 123.917 122.820 0.067 0.000 1.940 154 A HA -0.176 4.143 4.320 -0.001 0.000 0.219 154 A C 2.093 179.751 177.584 0.123 0.000 1.176 154 A CA 1.251 53.331 52.037 0.071 0.000 0.631 154 A CB -1.084 17.957 19.000 0.068 0.000 0.814 154 A HN 0.657 8.807 8.150 -0.000 0.000 0.446 155 W N 1.188 122.479 121.300 -0.016 0.000 2.379 155 W HA -0.173 4.488 4.660 0.003 0.000 0.307 155 W C 1.881 178.396 176.519 -0.007 0.000 1.200 155 W CA 2.353 59.698 57.345 -0.001 0.000 1.297 155 W CB -0.136 29.335 29.460 0.019 0.000 1.140 155 W HN 0.315 8.495 8.180 -0.000 0.000 0.507 156 V N 0.321 120.070 119.914 -0.275 0.000 2.667 156 V HA -0.197 3.923 4.120 -0.001 0.000 0.252 156 V C 2.275 178.188 176.094 -0.301 0.000 1.065 156 V CA 2.266 64.307 62.300 -0.431 0.000 1.083 156 V CB -1.092 30.592 31.823 -0.230 0.000 0.692 156 V HN 0.026 8.216 8.190 -0.000 0.000 0.468 157 K N 1.411 121.710 120.400 -0.168 0.000 2.032 157 K HA -0.102 4.217 4.320 -0.001 0.000 0.209 157 K C 1.901 178.406 176.600 -0.158 0.000 1.048 157 K CA 2.279 58.492 56.287 -0.124 0.000 0.927 157 K CB -1.156 31.309 32.500 -0.058 0.000 0.712 157 K HN 0.390 8.640 8.250 -0.000 0.000 0.441 158 V N 0.140 119.957 119.914 -0.161 0.000 2.250 158 V HA -0.289 3.830 4.120 -0.001 0.000 0.250 158 V C 2.360 178.253 176.094 -0.335 0.000 1.060 158 V CA 2.089 64.283 62.300 -0.177 0.000 1.030 158 V CB -0.535 31.241 31.823 -0.078 0.000 0.643 158 V HN 0.191 8.381 8.190 -0.000 0.000 0.445 159 V N -0.371 119.211 119.914 -0.554 0.000 2.307 159 V HA -0.255 3.864 4.120 -0.001 0.000 0.245 159 V C 2.461 178.312 176.094 -0.405 0.000 1.045 159 V CA 2.154 64.051 62.300 -0.672 0.000 1.024 159 V CB -0.635 30.656 31.823 -0.887 0.000 0.651 159 V HN 0.667 8.857 8.190 -0.000 0.000 0.449 160 E N 0.231 120.269 120.200 -0.271 0.000 2.070 160 E HA -0.297 4.053 4.350 -0.001 0.000 0.197 160 E C 2.160 178.686 176.600 -0.124 0.000 1.004 160 E CA 2.104 58.417 56.400 -0.145 0.000 0.805 160 E CB -0.020 29.608 29.700 -0.119 0.000 0.744 160 E HN 0.733 9.093 8.360 -0.000 0.000 0.451 161 E N -0.756 119.361 120.200 -0.139 0.000 2.060 161 E HA -0.077 4.273 4.350 -0.001 0.000 0.189 161 E C 2.080 178.614 176.600 -0.110 0.000 0.974 161 E CA 0.607 56.946 56.400 -0.102 0.000 0.808 161 E CB 0.234 29.886 29.700 -0.080 0.000 0.768 161 E HN 0.025 8.385 8.360 -0.000 0.000 0.453 162 K N -0.179 120.125 120.400 -0.160 0.000 2.276 162 K HA 0.223 4.542 4.320 -0.001 0.000 0.198 162 K C 0.689 177.144 176.600 -0.241 0.000 1.052 162 K CA 0.687 56.880 56.287 -0.156 0.000 0.984 162 K CB 0.314 32.738 32.500 -0.126 0.000 0.836 162 K HN 0.081 8.331 8.250 -0.000 0.000 0.490 163 A N 1.849 124.397 122.820 -0.453 0.000 2.466 163 A HA -0.184 4.136 4.320 -0.001 0.000 0.295 163 A C -0.429 176.767 177.584 -0.646 0.000 1.465 163 A CA 0.835 52.414 52.037 -0.762 0.000 0.744 163 A CB -2.509 16.282 19.000 -0.349 0.000 1.098 163 A HN 0.393 8.543 8.150 -0.000 0.000 0.402 164 F N -2.468 117.353 119.950 -0.214 0.000 2.999 164 F HA -0.213 4.313 4.527 -0.001 0.000 0.291 164 F C 0.944 176.712 175.800 -0.052 0.000 0.824 164 F CA 1.043 58.955 58.000 -0.146 0.000 1.255 164 F CB -2.606 36.242 39.000 -0.253 0.000 1.333 164 F HN 1.449 9.749 8.300 -0.000 0.000 0.502 165 S N -1.162 114.563 115.700 0.041 0.000 2.672 165 S HA 0.696 5.165 4.470 -0.001 0.000 0.276 165 S C -1.347 173.291 174.600 0.065 0.000 1.207 165 S CA -1.211 57.024 58.200 0.059 0.000 1.002 165 S CB 2.293 65.505 63.200 0.021 0.000 0.998 165 S HN -0.129 8.181 8.310 -0.000 0.000 0.542 166 P HA -0.110 4.310 4.420 -0.000 0.000 0.218 166 P C 1.144 178.486 177.300 0.069 0.000 1.146 166 P CA 1.196 64.339 63.100 0.072 0.000 0.813 166 P CB 0.045 31.780 31.700 0.060 0.000 0.778 167 E N -0.625 119.606 120.200 0.051 0.000 2.265 167 E HA -0.137 4.212 4.350 -0.001 0.000 0.196 167 E C 1.826 178.467 176.600 0.069 0.000 0.996 167 E CA 0.365 56.793 56.400 0.048 0.000 0.832 167 E CB -0.449 29.265 29.700 0.023 0.000 0.756 167 E HN -0.017 8.343 8.360 -0.000 0.000 0.491 168 V N 0.722 120.677 119.914 0.068 0.000 2.469 168 V HA -0.255 3.865 4.120 -0.001 0.000 0.251 168 V C 1.876 178.118 176.094 0.247 0.000 1.064 168 V CA 1.567 63.941 62.300 0.124 0.000 1.066 168 V CB -0.218 31.624 31.823 0.032 0.000 0.667 168 V HN 0.303 8.493 8.190 -0.000 0.000 0.461 169 I N 0.453 121.137 120.570 0.191 0.000 2.163 169 I HA -0.103 4.066 4.170 -0.001 0.000 0.240 169 I C -0.090 176.146 176.117 0.198 0.000 1.081 169 I CA 1.600 63.023 61.300 0.205 0.000 1.353 169 I CB -1.605 36.478 38.000 0.138 0.000 1.054 169 I HN 0.369 8.579 8.210 -0.000 0.000 0.407 170 P HA -0.108 4.312 4.420 -0.000 0.000 0.221 170 P C 1.737 179.085 177.300 0.079 0.000 1.150 170 P CA 1.255 64.408 63.100 0.088 0.000 0.800 170 P CB 0.003 31.741 31.700 0.063 0.000 0.787 171 M N -2.183 117.490 119.600 0.123 0.000 2.236 171 M HA 0.004 4.484 4.480 -0.001 0.000 0.266 171 M C 1.954 178.329 176.300 0.126 0.000 1.070 171 M CA 1.142 56.515 55.300 0.121 0.000 1.137 171 M CB -1.687 31.004 32.600 0.152 0.000 1.378 171 M HN -0.072 8.218 8.290 -0.000 0.000 0.426 172 F N 0.847 120.851 119.950 0.090 0.000 2.091 172 F HA -0.262 4.264 4.527 -0.001 0.000 0.299 172 F C 2.769 178.465 175.800 -0.173 0.000 1.103 172 F CA 2.097 60.016 58.000 -0.135 0.000 1.228 172 F CB -0.529 38.363 39.000 -0.180 0.000 0.984 172 F HN 0.181 8.481 8.300 -0.000 0.000 0.477 173 S N -0.087 115.536 115.700 -0.129 0.000 2.368 173 S HA -0.131 4.339 4.470 -0.001 0.000 0.224 173 S C 2.262 176.715 174.600 -0.246 0.000 1.029 173 S CA 1.222 59.296 58.200 -0.209 0.000 0.988 173 S CB -0.825 62.372 63.200 -0.005 0.000 0.838 173 S HN 0.523 8.833 8.310 -0.000 0.000 0.462 174 A N 1.237 123.969 122.820 -0.147 0.000 1.929 174 A HA 0.172 4.492 4.320 -0.001 0.000 0.216 174 A C 2.152 179.634 177.584 -0.171 0.000 1.176 174 A CA 1.145 53.108 52.037 -0.123 0.000 0.628 174 A CB -0.707 18.260 19.000 -0.055 0.000 0.816 174 A HN 0.575 8.725 8.150 -0.000 0.000 0.444 175 L N 0.609 121.707 121.223 -0.209 0.000 2.275 175 L HA -0.101 4.239 4.340 -0.001 0.000 0.215 175 L C 2.163 178.835 176.870 -0.330 0.000 1.119 175 L CA 1.295 56.008 54.840 -0.211 0.000 0.790 175 L CB -0.250 41.739 42.059 -0.116 0.000 0.919 175 L HN 0.535 8.765 8.230 -0.000 0.000 0.443 176 S N -1.811 113.576 115.700 -0.521 0.000 2.597 176 S HA 0.048 4.517 4.470 -0.001 0.000 0.224 176 S C 0.538 174.941 174.600 -0.328 0.000 0.955 176 S CA -0.509 57.370 58.200 -0.534 0.000 0.933 176 S CB -0.264 62.386 63.200 -0.916 0.000 0.788 176 S HN 0.220 8.530 8.310 -0.000 0.000 0.488 177 E N 2.484 122.538 120.200 -0.245 0.000 2.608 177 E HA 0.293 4.643 4.350 -0.001 0.000 0.259 177 E C 1.341 177.871 176.600 -0.117 0.000 0.951 177 E CA 0.984 57.292 56.400 -0.153 0.000 0.945 177 E CB -0.452 29.178 29.700 -0.116 0.000 0.916 177 E HN 0.497 8.857 8.360 -0.000 0.000 0.477 178 G N 3.044 111.793 108.800 -0.085 0.000 2.309 178 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.286 178 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.286 178 G C 0.433 175.311 174.900 -0.038 0.000 1.002 178 G CA 0.559 45.630 45.100 -0.049 0.000 0.786 178 G HN 0.911 9.201 8.290 -0.000 0.000 0.511 179 A N 0.100 122.872 122.820 -0.081 0.000 2.425 179 A HA 0.682 5.001 4.320 -0.001 0.000 0.249 179 A C 1.038 178.611 177.584 -0.018 0.000 1.084 179 A CA 0.858 52.858 52.037 -0.062 0.000 0.781 179 A CB 0.306 19.221 19.000 -0.141 0.000 1.019 179 A HN 1.551 9.701 8.150 -0.000 0.000 0.490 180 T N 0.430 115.003 114.554 0.031 0.000 2.874 180 T HA 0.444 4.794 4.350 -0.001 0.000 0.281 180 T C -1.980 172.755 174.700 0.058 0.000 0.994 180 T CA -1.524 60.594 62.100 0.030 0.000 1.015 180 T CB 0.836 69.715 68.868 0.017 0.000 1.028 180 T HN 0.321 8.561 8.240 -0.000 0.000 0.523 181 P HA -0.183 4.237 4.420 -0.000 0.000 0.216 181 P C 1.718 179.129 177.300 0.185 0.000 1.150 181 P CA 1.136 64.364 63.100 0.213 0.000 0.843 181 P CB 0.026 31.761 31.700 0.060 0.000 0.787 182 Q N -0.081 119.778 119.800 0.099 0.000 2.061 182 Q HA -0.226 4.114 4.340 -0.001 0.000 0.204 182 Q C 1.506 177.558 176.000 0.087 0.000 0.984 182 Q CA 1.863 57.719 55.803 0.088 0.000 0.846 182 Q CB -0.557 28.216 28.738 0.058 0.000 0.902 182 Q HN 0.166 8.436 8.270 -0.000 0.000 0.421 183 D N 0.502 120.943 120.400 0.070 0.000 2.158 183 D HA -0.182 4.458 4.640 -0.001 0.000 0.197 183 D C 1.980 178.279 176.300 -0.001 0.000 0.995 183 D CA 1.085 55.103 54.000 0.031 0.000 0.846 183 D CB -0.189 40.614 40.800 0.005 0.000 0.941 183 D HN 0.334 8.704 8.370 -0.000 0.000 0.456 184 L N 0.495 121.724 121.223 0.009 0.000 2.072 184 L HA -0.082 4.258 4.340 -0.001 0.000 0.205 184 L C 2.078 178.956 176.870 0.014 0.000 1.079 184 L CA 0.668 55.474 54.840 -0.057 0.000 0.752 184 L CB -0.256 41.696 42.059 -0.178 0.000 0.906 184 L HN -0.053 8.177 8.230 -0.000 0.000 0.436 185 N N -0.571 118.207 118.700 0.131 0.000 2.188 185 N HA -0.122 4.617 4.740 -0.001 0.000 0.184 185 N C 1.807 177.386 175.510 0.115 0.000 1.018 185 N CA 1.610 54.752 53.050 0.153 0.000 0.858 185 N CB -0.401 38.200 38.487 0.190 0.000 0.989 185 N HN 0.249 8.629 8.380 -0.000 0.000 0.426 186 T N 2.035 116.646 114.554 0.094 0.000 2.635 186 T HA -0.145 4.205 4.350 -0.001 0.000 0.267 186 T C 2.093 176.864 174.700 0.118 0.000 1.040 186 T CA 1.336 63.491 62.100 0.091 0.000 1.156 186 T CB -0.222 68.687 68.868 0.068 0.000 0.863 186 T HN 0.231 8.471 8.240 -0.000 0.000 0.430 187 M N 0.530 120.174 119.600 0.073 0.000 2.073 187 M HA -0.103 4.377 4.480 -0.001 0.000 0.258 187 M C 2.330 178.817 176.300 0.312 0.000 1.070 187 M CA 1.828 57.187 55.300 0.098 0.000 1.103 187 M CB -0.800 31.650 32.600 -0.251 0.000 1.321 187 M HN 0.194 8.484 8.290 -0.000 0.000 0.405 188 L N -0.367 120.977 121.223 0.200 0.000 2.093 188 L HA -0.168 4.172 4.340 -0.001 0.000 0.208 188 L C 2.081 179.091 176.870 0.233 0.000 1.085 188 L CA 0.740 55.725 54.840 0.242 0.000 0.755 188 L CB -0.831 41.305 42.059 0.129 0.000 0.904 188 L HN 0.361 8.591 8.230 -0.000 0.000 0.435 189 N N -0.511 118.298 118.700 0.182 0.000 2.453 189 N HA -0.099 4.640 4.740 -0.001 0.000 0.183 189 N C 1.693 177.292 175.510 0.148 0.000 1.041 189 N CA 1.244 54.382 53.050 0.147 0.000 0.900 189 N CB -0.084 38.472 38.487 0.115 0.000 0.961 189 N HN 0.314 8.694 8.380 -0.000 0.000 0.443 190 T N 0.246 114.916 114.554 0.193 0.000 2.985 190 T HA 0.033 4.382 4.350 -0.001 0.000 0.266 190 T C 0.991 175.768 174.700 0.128 0.000 1.076 190 T CA 0.147 62.349 62.100 0.170 0.000 1.135 190 T CB 0.166 69.168 68.868 0.224 0.000 0.890 190 T HN -0.098 8.142 8.240 -0.000 0.000 0.480 191 V N 2.295 122.310 119.914 0.168 0.000 2.493 191 V HA 0.439 4.559 4.120 -0.001 0.000 0.292 191 V C 0.933 177.084 176.094 0.097 0.000 1.016 191 V CA -0.302 62.053 62.300 0.092 0.000 1.097 191 V CB 0.213 32.136 31.823 0.167 0.000 0.947 191 V HN 0.413 8.603 8.190 -0.000 0.000 0.479 192 G N 2.546 111.381 108.800 0.058 0.000 2.473 192 G HA2 0.598 4.557 3.960 -0.001 0.000 0.321 192 G HA3 0.598 4.557 3.960 -0.001 0.000 0.321 192 G C 0.709 175.617 174.900 0.012 0.000 1.200 192 G CA -0.059 45.063 45.100 0.036 0.000 0.963 192 G HN 1.475 9.765 8.290 -0.000 0.000 0.483 193 G N -0.356 108.408 108.800 -0.061 0.000 2.175 193 G HA2 -0.219 3.741 3.960 -0.001 0.000 0.244 193 G HA3 -0.219 3.741 3.960 -0.001 0.000 0.244 193 G C 0.330 174.953 174.900 -0.463 0.000 0.982 193 G CA 0.447 45.396 45.100 -0.253 0.000 0.641 193 G HN 0.934 9.224 8.290 -0.000 0.000 0.527 194 H N 0.209 119.305 119.070 0.044 0.000 2.439 194 H HA 0.318 4.874 4.556 -0.001 0.000 0.230 194 H C 1.227 176.578 175.328 0.038 0.000 1.420 194 H CA -0.081 56.010 56.048 0.072 0.000 1.305 194 H CB 0.736 30.636 29.762 0.230 0.000 1.667 194 H HN 0.349 8.629 8.280 -0.000 0.000 0.515 195 Q N 1.049 120.896 119.800 0.079 0.000 2.123 195 Q HA -0.029 4.310 4.340 -0.001 0.000 0.199 195 Q C 1.926 177.959 176.000 0.054 0.000 0.966 195 Q CA 1.117 56.957 55.803 0.062 0.000 0.845 195 Q CB 0.421 29.180 28.738 0.035 0.000 0.907 195 Q HN 0.599 8.869 8.270 -0.000 0.000 0.439 196 A N 0.679 123.535 122.820 0.059 0.000 1.898 196 A HA -0.054 4.266 4.320 -0.001 0.000 0.216 196 A C 2.271 179.874 177.584 0.032 0.000 1.181 196 A CA 1.642 53.716 52.037 0.061 0.000 0.620 196 A CB -0.719 18.344 19.000 0.105 0.000 0.819 196 A HN 0.446 8.596 8.150 -0.000 0.000 0.442 197 A N -0.766 122.039 122.820 -0.024 0.000 1.902 197 A HA -0.128 4.191 4.320 -0.001 0.000 0.217 197 A C 2.171 179.648 177.584 -0.178 0.000 1.181 197 A CA 2.018 53.922 52.037 -0.223 0.000 0.623 197 A CB -0.469 18.143 19.000 -0.647 0.000 0.818 197 A HN 0.429 8.579 8.150 -0.000 0.000 0.443 198 M N -0.806 118.763 119.600 -0.050 0.000 2.132 198 M HA -0.109 4.371 4.480 -0.001 0.000 0.263 198 M C 2.234 178.541 176.300 0.012 0.000 1.065 198 M CA 1.177 56.483 55.300 0.011 0.000 1.122 198 M CB -1.459 31.192 32.600 0.085 0.000 1.365 198 M HN 0.360 8.650 8.290 -0.000 0.000 0.411 199 Q N 0.189 119.999 119.800 0.017 0.000 2.045 199 Q HA -0.124 4.215 4.340 -0.001 0.000 0.206 199 Q C 2.170 178.174 176.000 0.006 0.000 0.991 199 Q CA 1.704 57.518 55.803 0.019 0.000 0.851 199 Q CB -0.730 28.021 28.738 0.022 0.000 0.911 199 Q HN 0.554 8.824 8.270 -0.000 0.000 0.418 200 M N -0.261 119.335 119.600 -0.008 0.000 2.088 200 M HA -0.240 4.240 4.480 -0.001 0.000 0.256 200 M C 2.093 178.379 176.300 -0.023 0.000 1.071 200 M CA 1.358 56.648 55.300 -0.017 0.000 1.097 200 M CB -0.478 32.107 32.600 -0.025 0.000 1.315 200 M HN 0.198 8.488 8.290 -0.000 0.000 0.406 201 L N 0.452 121.650 121.223 -0.042 0.000 2.083 201 L HA -0.177 4.162 4.340 -0.001 0.000 0.209 201 L C 2.052 178.934 176.870 0.020 0.000 1.083 201 L CA 1.953 56.775 54.840 -0.030 0.000 0.752 201 L CB -0.550 41.476 42.059 -0.055 0.000 0.899 201 L HN 0.170 8.400 8.230 -0.000 0.000 0.433 202 K N -0.771 119.649 120.400 0.033 0.000 2.103 202 K HA -0.117 4.202 4.320 -0.001 0.000 0.204 202 K C 2.020 178.647 176.600 0.045 0.000 1.052 202 K CA 1.275 57.599 56.287 0.062 0.000 0.945 202 K CB -0.098 32.437 32.500 0.059 0.000 0.722 202 K HN 0.417 8.667 8.250 -0.000 0.000 0.443 203 E N 0.421 120.634 120.200 0.022 0.000 2.051 203 E HA -0.149 4.200 4.350 -0.001 0.000 0.192 203 E C 1.526 178.123 176.600 -0.006 0.000 0.991 203 E CA 1.541 57.945 56.400 0.006 0.000 0.799 203 E CB -0.104 29.596 29.700 -0.001 0.000 0.748 203 E HN 0.275 8.635 8.360 -0.000 0.000 0.449 204 T N 1.994 116.546 114.554 -0.005 0.000 2.212 204 T HA -0.350 4.000 4.350 -0.001 0.000 0.200 204 T C 1.803 176.500 174.700 -0.005 0.000 1.643 204 T CA 2.419 64.517 62.100 -0.002 0.000 1.063 204 T CB -1.115 67.758 68.868 0.008 0.000 0.833 204 T HN 0.219 8.459 8.240 -0.000 0.000 0.418 205 I N 1.613 122.235 120.570 0.085 0.000 3.938 205 I HA -0.461 3.708 4.170 -0.001 0.000 0.148 205 I C 2.455 178.561 176.117 -0.020 0.000 0.715 205 I CA 2.465 63.852 61.300 0.144 0.000 0.935 205 I CB -0.832 37.351 38.000 0.306 0.000 0.757 205 I HN 0.454 8.664 8.210 -0.000 0.000 0.267 206 N N 0.006 118.694 118.700 -0.019 0.000 2.069 206 N HA -0.212 4.528 4.740 -0.001 0.000 0.191 206 N C 1.821 177.257 175.510 -0.123 0.000 1.031 206 N CA 1.907 54.923 53.050 -0.056 0.000 0.852 206 N CB -0.038 38.437 38.487 -0.020 0.000 1.018 206 N HN 0.489 8.869 8.380 -0.000 0.000 0.423 207 E N 0.317 120.445 120.200 -0.119 0.000 2.085 207 E HA -0.184 4.166 4.350 -0.001 0.000 0.194 207 E C 1.754 178.206 176.600 -0.245 0.000 0.994 207 E CA 0.936 57.252 56.400 -0.139 0.000 0.801 207 E CB 0.045 29.685 29.700 -0.099 0.000 0.743 207 E HN 0.350 8.710 8.360 -0.000 0.000 0.453 208 E N 0.382 120.343 120.200 -0.398 0.000 2.107 208 E HA -0.100 4.250 4.350 -0.001 0.000 0.191 208 E C 2.057 178.013 176.600 -1.072 0.000 0.982 208 E CA 0.900 56.826 56.400 -0.789 0.000 0.809 208 E CB -0.294 28.666 29.700 -1.233 0.000 0.756 208 E HN 0.246 8.606 8.360 -0.000 0.000 0.459 209 A N 1.728 123.961 122.820 -0.978 0.000 1.883 209 A HA -0.159 4.161 4.320 -0.001 0.000 0.217 209 A C 2.445 179.922 177.584 -0.178 0.000 1.186 209 A CA 2.413 54.111 52.037 -0.566 0.000 0.624 209 A CB -0.738 18.131 19.000 -0.218 0.000 0.822 209 A HN 0.274 8.424 8.150 -0.000 0.000 0.444 210 A N -0.380 122.352 122.820 -0.148 0.000 1.877 210 A HA -0.195 4.124 4.320 -0.001 0.000 0.216 210 A C 2.029 179.594 177.584 -0.033 0.000 1.186 210 A CA 2.030 54.032 52.037 -0.058 0.000 0.620 210 A CB -0.634 18.329 19.000 -0.062 0.000 0.822 210 A HN 0.688 8.838 8.150 -0.000 0.000 0.443 211 E N -0.970 119.185 120.200 -0.074 0.000 2.085 211 E HA -0.236 4.113 4.350 -0.001 0.000 0.194 211 E C 1.882 178.513 176.600 0.051 0.000 0.994 211 E CA 1.409 57.787 56.400 -0.036 0.000 0.801 211 E CB -0.354 29.303 29.700 -0.073 0.000 0.743 211 E HN 0.755 9.115 8.360 -0.000 0.000 0.453 212 W N 1.664 122.908 121.300 -0.094 0.000 2.325 212 W HA -0.230 4.430 4.660 -0.001 0.000 0.299 212 W C 1.036 177.644 176.519 0.149 0.000 1.215 212 W CA 1.983 59.370 57.345 0.071 0.000 1.244 212 W CB -0.270 29.209 29.460 0.033 0.000 1.140 212 W HN 0.185 8.365 8.180 -0.000 0.000 0.523 213 D N -0.407 120.128 120.400 0.226 0.000 2.103 213 D HA -0.116 4.524 4.640 -0.001 0.000 0.199 213 D C 2.338 178.662 176.300 0.040 0.000 0.978 213 D CA 1.297 55.395 54.000 0.162 0.000 0.829 213 D CB -0.387 40.495 40.800 0.135 0.000 0.981 213 D HN 0.180 8.550 8.370 -0.000 0.000 0.464 214 R N 0.184 120.691 120.500 0.012 0.000 2.113 214 R HA -0.098 4.241 4.340 -0.001 0.000 0.244 214 R C 2.115 178.366 176.300 -0.081 0.000 1.142 214 R CA 0.930 57.011 56.100 -0.031 0.000 0.953 214 R CB -0.391 29.890 30.300 -0.032 0.000 0.860 214 R HN 0.258 8.528 8.270 -0.000 0.000 0.438 215 L N -0.495 120.662 121.223 -0.111 0.000 2.591 215 L HA 0.058 4.397 4.340 -0.001 0.000 0.228 215 L C 0.042 176.583 176.870 -0.548 0.000 1.133 215 L CA 0.345 55.019 54.840 -0.276 0.000 0.880 215 L CB -0.012 41.879 42.059 -0.279 0.000 1.033 215 L HN 0.186 8.416 8.230 -0.000 0.000 0.450 216 H N -0.633 118.228 119.070 -0.348 0.000 2.511 216 H HA 0.220 4.776 4.556 -0.001 0.000 0.228 216 H C -2.355 172.884 175.328 -0.149 0.000 1.424 216 H CA -1.789 54.052 56.048 -0.344 0.000 1.321 216 H CB 0.146 29.495 29.762 -0.688 0.000 1.720 216 H HN -0.058 8.222 8.280 -0.000 0.000 0.512 217 P HA -0.080 4.340 4.420 -0.000 0.000 0.263 217 P C 0.423 177.733 177.300 0.016 0.000 1.175 217 P CA 0.153 63.231 63.100 -0.035 0.000 0.761 217 P CB 0.879 32.519 31.700 -0.100 0.000 0.794 218 V N 1.626 121.582 119.914 0.071 0.000 2.811 218 V HA 0.144 4.264 4.120 -0.001 0.000 0.302 218 V C 0.405 176.572 176.094 0.122 0.000 1.063 218 V CA -0.360 62.037 62.300 0.162 0.000 1.088 218 V CB -0.570 31.330 31.823 0.129 0.000 0.982 218 V HN 0.397 8.587 8.190 -0.000 0.000 0.485 219 H N 2.119 121.205 119.070 0.027 0.000 2.610 219 H HA 0.676 5.232 4.556 -0.001 0.000 0.336 219 H C 0.692 176.033 175.328 0.022 0.000 1.087 219 H CA 0.529 56.589 56.048 0.020 0.000 1.405 219 H CB 0.823 30.599 29.762 0.023 0.000 1.460 219 H HN 1.152 9.432 8.280 -0.000 0.000 0.538 220 A N 2.192 125.070 122.820 0.097 0.000 2.386 220 A HA 0.524 4.844 4.320 -0.001 0.000 0.248 220 A C 0.752 178.377 177.584 0.068 0.000 1.082 220 A CA 0.083 52.157 52.037 0.062 0.000 0.789 220 A CB -0.401 18.616 19.000 0.029 0.000 1.025 220 A HN 1.165 9.315 8.150 -0.000 0.000 0.490 221 G N 1.731 110.562 108.800 0.051 0.000 3.276 221 G HA2 0.056 4.016 3.960 -0.001 0.000 0.679 221 G HA3 0.056 4.016 3.960 -0.001 0.000 0.679 221 G C -1.806 173.122 174.900 0.046 0.000 0.911 221 G CA -0.414 44.711 45.100 0.043 0.000 0.797 221 G HN 0.988 9.278 8.290 -0.000 0.000 0.503 222 P HA 0.072 4.492 4.420 -0.000 0.000 0.270 222 P C 0.654 177.974 177.300 0.033 0.000 1.149 222 P CA 0.876 63.996 63.100 0.033 0.000 0.752 222 P CB 0.032 31.747 31.700 0.025 0.000 0.751 223 I N -0.773 119.815 120.570 0.030 0.000 2.664 223 I HA 0.635 4.805 4.170 -0.001 0.000 0.308 223 I C 0.259 176.389 176.117 0.021 0.000 0.984 223 I CA -1.498 59.817 61.300 0.025 0.000 1.213 223 I CB 0.638 38.651 38.000 0.023 0.000 1.379 223 I HN 0.362 8.572 8.210 -0.000 0.000 0.501 224 A N 4.275 127.108 122.820 0.021 0.000 2.565 224 A HA 0.261 4.580 4.320 -0.001 0.000 0.237 224 A C -1.819 175.779 177.584 0.024 0.000 1.053 224 A CA -0.704 51.347 52.037 0.024 0.000 0.755 224 A CB -1.370 17.647 19.000 0.030 0.000 0.980 224 A HN 0.748 8.898 8.150 -0.000 0.000 0.506 225 P HA -0.197 4.223 4.420 -0.000 0.000 0.056 225 P C 1.081 178.388 177.300 0.011 0.000 0.542 225 P CA 1.999 65.108 63.100 0.015 0.000 1.074 225 P CB -1.074 30.635 31.700 0.016 0.000 1.758 226 G N 2.526 111.330 108.800 0.007 0.000 2.256 226 G HA2 -0.354 3.606 3.960 -0.001 0.000 0.279 226 G HA3 -0.354 3.606 3.960 -0.001 0.000 0.279 226 G C 0.621 175.515 174.900 -0.010 0.000 0.998 226 G CA 0.729 45.828 45.100 -0.002 0.000 0.720 226 G HN 0.680 8.970 8.290 -0.000 0.000 0.521 227 Q N -0.354 119.448 119.800 0.003 0.000 2.383 227 Q HA 0.498 4.838 4.340 -0.001 0.000 0.210 227 Q C 0.691 176.665 176.000 -0.044 0.000 0.891 227 Q CA 0.076 55.879 55.803 -0.000 0.000 0.985 227 Q CB -0.483 28.290 28.738 0.058 0.000 1.409 227 Q HN 0.720 8.990 8.270 -0.000 0.000 0.391 228 M N 1.045 120.619 119.600 -0.043 0.000 4.047 228 M HA -0.154 4.326 4.480 -0.001 0.000 0.157 228 M C -0.439 175.915 176.300 0.091 0.000 1.532 228 M CA 0.316 55.601 55.300 -0.025 0.000 1.097 228 M CB -0.493 32.056 32.600 -0.085 0.000 1.346 228 M HN 0.759 9.049 8.290 -0.000 0.000 0.190 229 R N 2.174 122.752 120.500 0.130 0.000 2.740 229 R HA 0.207 4.547 4.340 -0.001 0.000 0.263 229 R C -0.430 176.059 176.300 0.315 0.000 0.997 229 R CA 0.140 56.355 56.100 0.192 0.000 1.108 229 R CB 0.334 30.753 30.300 0.197 0.000 0.969 229 R HN 0.584 8.854 8.270 -0.000 0.000 0.431 230 E N 2.590 122.899 120.200 0.182 0.000 2.338 230 E HA 0.182 4.531 4.350 -0.001 0.000 0.272 230 E C -1.984 174.621 176.600 0.008 0.000 1.029 230 E CA -1.896 54.556 56.400 0.087 0.000 0.872 230 E CB 0.656 30.406 29.700 0.083 0.000 1.015 230 E HN 0.497 8.857 8.360 -0.000 0.000 0.417 231 P HA 0.092 4.512 4.420 -0.000 0.000 0.275 231 P C -0.540 176.649 177.300 -0.184 0.000 1.227 231 P CA -0.208 62.516 63.100 -0.627 0.000 0.781 231 P CB 0.921 31.714 31.700 -1.511 0.000 0.906 232 R N 1.322 121.765 120.500 -0.095 0.000 2.606 232 R HA 0.346 4.685 4.340 -0.001 0.000 0.249 232 R C 1.991 178.244 176.300 -0.077 0.000 1.127 232 R CA -0.366 55.768 56.100 0.057 0.000 1.133 232 R CB -0.356 29.986 30.300 0.069 0.000 1.243 232 R HN 0.593 8.863 8.270 -0.000 0.000 0.558 233 G N 0.336 109.173 108.800 0.061 0.000 2.529 233 G HA2 -0.330 3.630 3.960 -0.001 0.000 0.219 233 G HA3 -0.330 3.630 3.960 -0.001 0.000 0.219 233 G C 1.319 176.218 174.900 -0.001 0.000 1.177 233 G CA 1.563 46.692 45.100 0.048 0.000 0.773 233 G HN 0.621 8.911 8.290 -0.000 0.000 0.573 234 S N 0.384 116.075 115.700 -0.016 0.000 2.442 234 S HA -0.074 4.395 4.470 -0.001 0.000 0.236 234 S C 1.669 176.223 174.600 -0.077 0.000 1.007 234 S CA 1.661 59.840 58.200 -0.035 0.000 0.965 234 S CB -0.125 63.073 63.200 -0.004 0.000 0.773 234 S HN 0.376 8.686 8.310 -0.000 0.000 0.504 235 D N 1.734 122.075 120.400 -0.099 0.000 2.162 235 D HA 0.158 4.798 4.640 -0.001 0.000 0.205 235 D C 1.923 178.086 176.300 -0.228 0.000 0.964 235 D CA 0.794 54.742 54.000 -0.086 0.000 0.847 235 D CB -0.305 40.440 40.800 -0.091 0.000 0.988 235 D HN 0.432 8.802 8.370 -0.000 0.000 0.480 236 I N 1.531 121.839 120.570 -0.437 0.000 2.286 236 I HA -0.202 3.967 4.170 -0.001 0.000 0.248 236 I C 2.123 177.786 176.117 -0.758 0.000 1.115 236 I CA 0.880 61.805 61.300 -0.624 0.000 1.392 236 I CB -0.150 37.289 38.000 -0.936 0.000 1.065 236 I HN -0.106 8.104 8.210 -0.000 0.000 0.418 237 A N 0.512 122.916 122.820 -0.693 0.000 2.252 237 A HA 0.275 4.595 4.320 -0.001 0.000 0.207 237 A C 1.903 179.082 177.584 -0.675 0.000 1.194 237 A CA 0.670 52.003 52.037 -1.174 0.000 0.809 237 A CB -1.033 17.640 19.000 -0.545 0.000 0.814 237 A HN 0.575 8.725 8.150 -0.000 0.000 0.482 238 G N -1.417 107.176 108.800 -0.346 0.000 2.180 238 G HA2 -0.349 3.610 3.960 -0.001 0.000 0.263 238 G HA3 -0.349 3.610 3.960 -0.001 0.000 0.263 238 G C 0.893 175.767 174.900 -0.042 0.000 0.989 238 G CA 1.238 46.278 45.100 -0.100 0.000 0.692 238 G HN 0.516 8.806 8.290 -0.000 0.000 0.526 239 T N -0.310 114.208 114.554 -0.061 0.000 2.978 239 T HA 0.116 4.466 4.350 -0.001 0.000 0.262 239 T C 2.256 176.960 174.700 0.007 0.000 1.063 239 T CA 2.143 64.236 62.100 -0.012 0.000 1.140 239 T CB -0.043 68.817 68.868 -0.012 0.000 0.886 239 T HN 1.011 9.251 8.240 -0.000 0.000 0.470 240 T N -0.367 114.195 114.554 0.013 0.000 3.170 240 T HA 0.342 4.691 4.350 -0.001 0.000 0.288 240 T C 0.470 175.206 174.700 0.060 0.000 0.992 240 T CA -0.514 61.606 62.100 0.034 0.000 0.909 240 T CB 0.089 68.980 68.868 0.038 0.000 1.133 240 T HN 0.299 8.539 8.240 -0.000 0.000 0.530 241 S N 0.174 115.916 115.700 0.070 0.000 2.664 241 S HA 0.747 5.217 4.470 -0.001 0.000 0.304 241 S C -0.391 174.221 174.600 0.020 0.000 1.099 241 S CA -0.682 57.575 58.200 0.096 0.000 1.003 241 S CB 1.717 65.077 63.200 0.267 0.000 1.092 241 S HN 0.108 8.418 8.310 -0.000 0.000 0.525 242 T N 1.207 115.737 114.554 -0.040 0.000 2.929 242 T HA 0.355 4.704 4.350 -0.001 0.000 0.284 242 T C 1.155 175.797 174.700 -0.096 0.000 1.014 242 T CA -0.623 61.435 62.100 -0.070 0.000 1.051 242 T CB 0.988 69.792 68.868 -0.107 0.000 1.028 242 T HN 0.609 8.849 8.240 -0.000 0.000 0.485 243 L N 3.870 125.044 121.223 -0.081 0.000 2.013 243 L HA -0.191 4.149 4.340 -0.001 0.000 0.212 243 L C 2.469 179.235 176.870 -0.173 0.000 1.073 243 L CA 2.022 56.794 54.840 -0.113 0.000 0.753 243 L CB -0.771 41.232 42.059 -0.094 0.000 0.890 243 L HN 0.804 9.034 8.230 -0.000 0.000 0.432 244 Q N -0.698 119.002 119.800 -0.166 0.000 2.077 244 Q HA -0.274 4.065 4.340 -0.001 0.000 0.206 244 Q C 2.065 177.893 176.000 -0.285 0.000 0.989 244 Q CA 2.143 57.831 55.803 -0.192 0.000 0.853 244 Q CB -0.560 28.086 28.738 -0.153 0.000 0.907 244 Q HN 0.643 8.913 8.270 -0.000 0.000 0.418 245 E N 1.113 121.093 120.200 -0.368 0.000 2.051 245 E HA -0.226 4.123 4.350 -0.001 0.000 0.192 245 E C 2.211 178.386 176.600 -0.709 0.000 0.991 245 E CA 1.379 57.337 56.400 -0.737 0.000 0.799 245 E CB -0.059 29.110 29.700 -0.885 0.000 0.748 245 E HN 0.393 8.753 8.360 -0.000 0.000 0.449 246 Q N 0.367 120.008 119.800 -0.265 0.000 2.061 246 Q HA -0.183 4.156 4.340 -0.001 0.000 0.204 246 Q C 2.282 178.264 176.000 -0.030 0.000 0.984 246 Q CA 1.349 57.174 55.803 0.037 0.000 0.846 246 Q CB -0.202 28.557 28.738 0.035 0.000 0.902 246 Q HN 0.335 8.605 8.270 -0.000 0.000 0.421 247 I N 0.419 120.899 120.570 -0.149 0.000 2.252 247 I HA -0.192 3.978 4.170 -0.001 0.000 0.245 247 I C 2.353 178.416 176.117 -0.091 0.000 1.102 247 I CA 1.071 62.291 61.300 -0.133 0.000 1.385 247 I CB -0.618 37.260 38.000 -0.204 0.000 1.064 247 I HN 0.301 8.511 8.210 -0.000 0.000 0.414 248 G N 0.500 109.189 108.800 -0.184 0.000 2.446 248 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.217 248 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.217 248 G C 1.350 176.207 174.900 -0.071 0.000 1.168 248 G CA 0.437 45.428 45.100 -0.182 0.000 0.771 248 G HN 0.296 8.586 8.290 -0.000 0.000 0.551 249 W N 0.562 121.830 121.300 -0.054 0.000 2.335 249 W HA 0.022 4.682 4.660 -0.001 0.000 0.311 249 W C 2.798 179.315 176.519 -0.003 0.000 1.213 249 W CA 0.931 58.244 57.345 -0.054 0.000 1.274 249 W CB -1.000 28.409 29.460 -0.084 0.000 1.148 249 W HN 0.225 8.405 8.180 -0.000 0.000 0.498 250 M N -0.199 119.527 119.600 0.210 0.000 2.159 250 M HA -0.155 4.325 4.480 -0.001 0.000 0.263 250 M C 1.876 178.235 176.300 0.097 0.000 1.063 250 M CA 2.476 57.847 55.300 0.118 0.000 1.110 250 M CB -0.626 32.009 32.600 0.059 0.000 1.374 250 M HN -0.053 8.237 8.290 -0.000 0.000 0.411 251 T N -3.897 110.710 114.554 0.088 0.000 3.065 251 T HA 0.031 4.381 4.350 -0.001 0.000 0.252 251 T C 0.696 175.453 174.700 0.096 0.000 1.099 251 T CA -0.240 61.901 62.100 0.067 0.000 1.063 251 T CB -0.495 68.392 68.868 0.031 0.000 0.948 251 T HN 0.367 8.607 8.240 -0.000 0.000 0.506 252 H N 2.166 121.259 119.070 0.038 0.000 3.058 252 H HA 0.032 4.587 4.556 -0.001 0.000 0.347 252 H C -0.448 174.902 175.328 0.038 0.000 1.087 252 H CA 0.598 56.672 56.048 0.043 0.000 1.375 252 H CB 0.325 30.138 29.762 0.085 0.000 1.312 252 H HN 0.146 8.426 8.280 -0.000 0.000 0.607 253 N N 5.581 123.941 118.700 -0.566 0.000 2.558 253 N HA 0.215 4.955 4.740 -0.001 0.000 0.242 253 N C -2.410 172.751 175.510 -0.582 0.000 0.979 253 N CA -1.166 51.636 53.050 -0.412 0.000 0.931 253 N CB 1.639 39.980 38.487 -0.244 0.000 1.122 253 N HN 0.515 8.895 8.380 -0.000 0.000 0.508 254 P HA 0.532 4.952 4.420 -0.000 0.000 0.281 254 P C -2.949 174.453 177.300 0.170 0.000 1.264 254 P CA -1.710 61.382 63.100 -0.014 0.000 0.824 254 P CB 0.688 32.411 31.700 0.040 0.000 1.092 255 P HA 0.312 4.732 4.420 -0.000 0.000 0.285 255 P C -0.655 176.738 177.300 0.154 0.000 1.259 255 P CA -0.206 62.996 63.100 0.169 0.000 0.794 255 P CB 0.225 31.983 31.700 0.095 0.000 0.940 256 I N 5.687 126.355 120.570 0.163 0.000 2.287 256 I HA 0.232 4.402 4.170 -0.001 0.000 0.290 256 I C -1.912 174.222 176.117 0.028 0.000 1.069 256 I CA -2.113 59.226 61.300 0.065 0.000 1.237 256 I CB 0.606 38.586 38.000 -0.034 0.000 1.418 256 I HN 0.174 8.384 8.210 -0.000 0.000 0.481 257 P HA 0.056 4.476 4.420 -0.000 0.000 0.238 257 P C 1.093 178.320 177.300 -0.122 0.000 1.794 257 P CA -0.180 62.902 63.100 -0.031 0.000 1.088 257 P CB 0.430 32.119 31.700 -0.018 0.000 1.923 258 V N 1.123 120.955 119.914 -0.137 0.000 2.515 258 V HA -0.068 4.052 4.120 -0.001 0.000 0.250 258 V C 2.260 178.217 176.094 -0.229 0.000 1.058 258 V CA 2.065 64.202 62.300 -0.273 0.000 1.064 258 V CB -1.951 29.732 31.823 -0.233 0.000 0.675 258 V HN 0.309 8.499 8.190 -0.000 0.000 0.461 259 G N 0.006 108.742 108.800 -0.107 0.000 2.421 259 G HA2 -0.187 3.773 3.960 -0.001 0.000 0.216 259 G HA3 -0.187 3.773 3.960 -0.001 0.000 0.216 259 G C 1.485 176.313 174.900 -0.119 0.000 1.171 259 G CA 0.866 45.921 45.100 -0.074 0.000 0.775 259 G HN 0.511 8.801 8.290 -0.000 0.000 0.543 260 E N 0.597 120.723 120.200 -0.124 0.000 2.077 260 E HA -0.067 4.283 4.350 -0.001 0.000 0.193 260 E C 2.593 179.083 176.600 -0.184 0.000 0.989 260 E CA 0.511 56.839 56.400 -0.121 0.000 0.800 260 E CB -0.319 29.337 29.700 -0.075 0.000 0.746 260 E HN 0.554 8.914 8.360 -0.000 0.000 0.452 261 I N 0.241 120.636 120.570 -0.292 0.000 2.142 261 I HA -0.292 3.877 4.170 -0.001 0.000 0.240 261 I C 2.427 178.039 176.117 -0.842 0.000 1.078 261 I CA 1.082 62.076 61.300 -0.511 0.000 1.343 261 I CB -0.423 37.162 38.000 -0.691 0.000 1.046 261 I HN 0.043 8.253 8.210 -0.000 0.000 0.405 262 Y N 2.020 121.757 120.300 -0.938 0.000 2.193 262 Y HA -0.295 4.255 4.550 -0.000 0.000 0.285 262 Y C 2.516 178.189 175.900 -0.379 0.000 1.166 262 Y CA 1.500 59.104 58.100 -0.826 0.000 1.181 262 Y CB -0.472 37.700 38.460 -0.479 0.000 0.976 262 Y HN 0.104 8.384 8.280 -0.000 0.000 0.520 263 K N 0.126 120.407 120.400 -0.198 0.000 2.097 263 K HA -0.204 4.115 4.320 -0.001 0.000 0.205 263 K C 2.459 179.062 176.600 0.005 0.000 1.050 263 K CA 1.173 57.421 56.287 -0.065 0.000 0.938 263 K CB -0.190 32.273 32.500 -0.062 0.000 0.718 263 K HN 0.265 8.515 8.250 -0.000 0.000 0.442 264 R N -0.084 120.386 120.500 -0.050 0.000 2.083 264 R HA -0.168 4.172 4.340 -0.001 0.000 0.237 264 R C 1.905 178.334 176.300 0.215 0.000 1.137 264 R CA 1.961 58.100 56.100 0.065 0.000 0.951 264 R CB -0.250 30.089 30.300 0.064 0.000 0.851 264 R HN 0.283 8.553 8.270 -0.000 0.000 0.434 265 W N 0.666 122.006 121.300 0.067 0.000 2.381 265 W HA -0.059 4.600 4.660 -0.001 0.000 0.301 265 W C 2.051 178.567 176.519 -0.005 0.000 1.205 265 W CA 0.295 57.678 57.345 0.063 0.000 1.285 265 W CB -0.937 28.602 29.460 0.130 0.000 1.133 265 W HN 0.136 8.316 8.180 -0.000 0.000 0.521 266 I N 0.075 120.720 120.570 0.124 0.000 2.226 266 I HA -0.306 3.864 4.170 -0.001 0.000 0.245 266 I C 2.337 178.370 176.117 -0.140 0.000 1.100 266 I CA 1.363 62.592 61.300 -0.119 0.000 1.374 266 I CB -0.707 37.064 38.000 -0.383 0.000 1.057 266 I HN -0.193 8.017 8.210 -0.000 0.000 0.413 267 I N 0.153 120.695 120.570 -0.045 0.000 2.264 267 I HA -0.303 3.866 4.170 -0.001 0.000 0.248 267 I C 2.503 178.639 176.117 0.033 0.000 1.111 267 I CA 1.098 62.399 61.300 0.002 0.000 1.382 267 I CB -0.272 37.783 38.000 0.092 0.000 1.060 267 I HN 0.302 8.512 8.210 -0.000 0.000 0.418 268 L N 0.792 122.060 121.223 0.075 0.000 2.017 268 L HA -0.160 4.180 4.340 -0.001 0.000 0.208 268 L C 2.509 179.403 176.870 0.040 0.000 1.073 268 L CA 2.386 57.271 54.840 0.076 0.000 0.745 268 L CB -1.512 40.621 42.059 0.124 0.000 0.894 268 L HN 0.288 8.518 8.230 -0.000 0.000 0.432 269 G N -0.501 108.316 108.800 0.028 0.000 2.432 269 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.219 269 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.219 269 G C 1.694 176.571 174.900 -0.038 0.000 1.135 269 G CA 0.633 45.728 45.100 -0.009 0.000 0.767 269 G HN 0.378 8.668 8.290 -0.000 0.000 0.550 270 L N 0.179 121.374 121.223 -0.046 0.000 2.095 270 L HA -0.019 4.321 4.340 -0.001 0.000 0.204 270 L C 2.713 179.604 176.870 0.034 0.000 1.080 270 L CA 0.536 55.365 54.840 -0.018 0.000 0.759 270 L CB -0.461 41.585 42.059 -0.023 0.000 0.914 270 L HN 0.108 8.338 8.230 -0.000 0.000 0.439 271 N N 0.823 119.546 118.700 0.039 0.000 2.060 271 N HA -0.240 4.499 4.740 -0.001 0.000 0.195 271 N C 1.732 177.267 175.510 0.041 0.000 1.028 271 N CA 1.611 54.691 53.050 0.049 0.000 0.861 271 N CB -0.206 38.311 38.487 0.049 0.000 1.029 271 N HN 0.402 8.782 8.380 -0.000 0.000 0.428 272 K N 0.529 120.944 120.400 0.024 0.000 2.097 272 K HA -0.028 4.292 4.320 -0.001 0.000 0.206 272 K C 2.193 178.810 176.600 0.030 0.000 1.049 272 K CA 0.836 57.133 56.287 0.017 0.000 0.933 272 K CB -0.120 32.381 32.500 0.003 0.000 0.717 272 K HN 0.186 8.436 8.250 -0.000 0.000 0.442 273 I N 0.983 121.562 120.570 0.015 0.000 2.252 273 I HA -0.259 3.910 4.170 -0.001 0.000 0.245 273 I C 2.485 178.715 176.117 0.189 0.000 1.102 273 I CA 0.995 62.324 61.300 0.048 0.000 1.385 273 I CB -0.529 37.312 38.000 -0.264 0.000 1.064 273 I HN 0.041 8.251 8.210 -0.000 0.000 0.414 274 V N 1.077 121.076 119.914 0.140 0.000 2.343 274 V HA -0.279 3.840 4.120 -0.001 0.000 0.247 274 V C 2.696 178.875 176.094 0.142 0.000 1.051 274 V CA 2.127 64.532 62.300 0.174 0.000 1.036 274 V CB -0.865 31.047 31.823 0.147 0.000 0.654 274 V HN 0.487 8.677 8.190 -0.000 0.000 0.451 275 R N 0.522 121.077 120.500 0.091 0.000 2.091 275 R HA -0.126 4.213 4.340 -0.001 0.000 0.238 275 R C 2.341 178.657 176.300 0.027 0.000 1.136 275 R CA 2.619 58.750 56.100 0.052 0.000 0.959 275 R CB -0.830 29.489 30.300 0.032 0.000 0.856 275 R HN 0.582 8.852 8.270 -0.000 0.000 0.437 276 M N -0.719 118.890 119.600 0.014 0.000 2.229 276 M HA -0.097 4.383 4.480 -0.001 0.000 0.264 276 M C 0.593 176.749 176.300 -0.240 0.000 1.063 276 M CA 1.601 56.821 55.300 -0.133 0.000 1.114 276 M CB 0.204 32.668 32.600 -0.227 0.000 1.387 276 M HN 0.287 8.577 8.290 -0.000 0.000 0.420 277 Y N -0.456 119.856 120.300 0.019 0.000 2.507 277 Y HA 0.236 4.785 4.550 -0.002 0.000 0.254 277 Y C 1.214 177.140 175.900 0.044 0.000 1.171 277 Y CA -0.402 57.722 58.100 0.040 0.000 1.238 277 Y CB 0.154 38.657 38.460 0.071 0.000 1.148 277 Y HN 0.191 8.471 8.280 -0.000 0.000 0.525 278 S N 0.000 115.773 115.700 0.121 0.000 2.498 278 S HA 0.000 4.470 4.470 -0.001 0.000 0.327 278 S CA 0.000 58.255 58.200 0.092 0.000 1.107 278 S CB 0.000 63.247 63.200 0.079 0.000 0.593 278 S HN 0.000 8.310 8.310 -0.000 0.000 0.517