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 3gr0_1_D DATA FIRST_RESID 183 DATA SEQUENCE RFQVLPGRDK MLYVAAQNER DTLWARQVLA RGDYDKNARV INENEENKRI DATA SEQUENCE SIWLDTYYPQ LAYYRIHFDE PRKPVFWLSR QRNTMSKKEL EVLSQKLRAL DATA SEQUENCE MPYADSVNIT LMDDVTAAGQ AEAGLKQQAL PYSRRNHKGG VTFVIQGALD DATA SEQUENCE DVEILRARQF VDSYYRTWGG RYVQFAIELK 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 183 R HA 0.000 4.340 4.340 0.000 0.000 0.208 183 R C 0.000 176.003 176.300 -0.496 0.000 0.893 183 R CA 0.000 55.900 56.100 -0.333 0.000 0.921 183 R CB 0.000 30.061 30.300 -0.399 0.000 0.687 184 F N 2.221 122.160 119.950 -0.018 0.000 2.480 184 F HA 0.536 5.769 4.527 1.176 0.000 0.329 184 F C -0.196 175.606 175.800 0.003 0.000 1.091 184 F CA -0.471 57.531 58.000 0.004 0.000 0.972 184 F CB 1.963 40.987 39.000 0.040 0.000 1.150 184 F HN 0.066 8.366 8.300 0.000 0.000 0.467 185 Q N 1.957 121.875 119.800 0.198 0.000 2.285 185 Q HA 0.653 5.697 4.340 1.173 0.000 0.269 185 Q C -2.209 173.848 176.000 0.096 0.000 1.030 185 Q CA -0.627 55.241 55.803 0.108 0.000 0.788 185 Q CB 2.110 30.883 28.738 0.059 0.000 1.266 185 Q HN 0.539 8.809 8.270 0.000 0.000 0.438 186 V N 5.185 125.144 119.914 0.076 0.000 2.370 186 V HA 0.454 5.278 4.120 1.173 0.000 0.279 186 V C -0.785 175.350 176.094 0.068 0.000 1.029 186 V CA -0.592 61.743 62.300 0.059 0.000 0.870 186 V CB 1.075 32.916 31.823 0.029 0.000 0.984 186 V HN 0.684 8.874 8.190 0.000 0.000 0.451 187 L N 8.288 129.571 121.223 0.099 0.000 2.333 187 L HA 0.589 5.633 4.340 1.173 0.000 0.280 187 L C -2.320 174.660 176.870 0.184 0.000 1.004 187 L CA -1.665 53.254 54.840 0.131 0.000 0.820 187 L CB 1.898 44.045 42.059 0.145 0.000 1.247 187 L HN 0.405 8.635 8.230 0.000 0.000 0.416 188 P HA 0.261 4.681 4.420 0.000 0.000 0.275 188 P C -0.234 177.194 177.300 0.212 0.000 1.227 188 P CA -0.243 62.946 63.100 0.148 0.000 0.781 188 P CB 1.221 32.970 31.700 0.082 0.000 0.906 189 G N 2.054 111.023 108.800 0.281 0.000 2.417 189 G HA2 0.384 5.048 3.960 1.173 0.000 0.334 189 G HA3 0.384 5.048 3.960 1.173 0.000 0.334 189 G C 0.771 175.760 174.900 0.148 0.000 1.150 189 G CA -0.925 44.347 45.100 0.286 0.000 0.923 189 G HN 0.541 8.831 8.290 0.000 0.000 0.485 190 R N -0.354 120.194 120.500 0.080 0.000 2.346 190 R HA 0.036 5.080 4.340 1.173 0.000 0.199 190 R C -0.026 176.303 176.300 0.048 0.000 1.015 190 R CA 1.093 57.217 56.100 0.039 0.000 1.058 190 R CB 0.062 30.360 30.300 -0.005 0.000 0.921 190 R HN 0.411 8.681 8.270 0.000 0.000 0.475 191 D N 0.172 120.627 120.400 0.092 0.000 2.462 191 D HA 0.107 5.451 4.640 1.173 0.000 0.221 191 D C -0.226 176.115 176.300 0.068 0.000 1.173 191 D CA -0.617 53.430 54.000 0.079 0.000 0.831 191 D CB 0.414 41.280 40.800 0.110 0.000 1.001 191 D HN 0.024 8.394 8.370 0.000 0.000 0.499 192 K N -0.618 119.822 120.400 0.066 0.000 3.274 192 K HA -0.167 4.856 4.320 1.173 0.000 0.300 192 K C -0.080 176.533 176.600 0.022 0.000 1.230 192 K CA 0.942 57.253 56.287 0.040 0.000 0.884 192 K CB -1.434 31.079 32.500 0.021 0.000 1.242 192 K HN 0.367 8.617 8.250 0.000 0.000 0.467 193 M N 0.423 120.045 119.600 0.036 0.000 2.342 193 M HA 0.294 5.478 4.480 1.173 0.000 0.332 193 M C 0.089 176.341 176.300 -0.079 0.000 1.166 193 M CA -0.923 54.326 55.300 -0.085 0.000 1.086 193 M CB 0.782 33.247 32.600 -0.225 0.000 1.541 193 M HN -0.157 8.133 8.290 0.000 0.000 0.462 194 L N 2.402 123.518 121.223 -0.178 0.000 2.312 194 L HA 0.380 5.423 4.340 1.173 0.000 0.281 194 L C -0.892 175.787 176.870 -0.319 0.000 1.070 194 L CA -0.273 54.495 54.840 -0.121 0.000 0.805 194 L CB 0.271 42.269 42.059 -0.101 0.000 1.174 194 L HN 0.431 8.661 8.230 0.000 0.000 0.434 195 Y N 2.117 122.403 120.300 -0.024 0.000 2.328 195 Y HA 0.470 5.725 4.550 1.175 0.000 0.337 195 Y C 0.027 175.876 175.900 -0.085 0.000 0.966 195 Y CA -0.759 57.294 58.100 -0.077 0.000 1.136 195 Y CB 1.836 40.216 38.460 -0.133 0.000 1.170 195 Y HN 0.168 8.448 8.280 0.000 0.000 0.470 196 V N 4.200 124.128 119.914 0.023 0.000 2.333 196 V HA 0.548 5.371 4.120 1.173 0.000 0.274 196 V C 0.079 176.207 176.094 0.058 0.000 1.028 196 V CA -0.814 61.512 62.300 0.044 0.000 0.851 196 V CB 0.761 32.589 31.823 0.008 0.000 1.000 196 V HN 0.866 9.056 8.190 0.000 0.000 0.456 197 A N 4.910 127.760 122.820 0.050 0.000 2.309 197 A HA 0.826 5.850 4.320 1.173 0.000 0.290 197 A C 0.359 177.985 177.584 0.070 0.000 1.206 197 A CA -0.034 51.991 52.037 -0.021 0.000 0.850 197 A CB 0.537 19.493 19.000 -0.073 0.000 1.118 197 A HN 1.138 9.288 8.150 0.000 0.000 0.523 198 A N 1.954 124.798 122.820 0.040 0.000 2.337 198 A HA 0.596 5.620 4.320 1.173 0.000 0.331 198 A C 0.706 178.249 177.584 -0.069 0.000 1.137 198 A CA -0.569 51.486 52.037 0.029 0.000 0.807 198 A CB 0.822 19.921 19.000 0.165 0.000 1.250 198 A HN 0.795 8.945 8.150 0.000 0.000 0.468 199 Q N 0.115 119.833 119.800 -0.137 0.000 2.269 199 Q HA -0.008 5.035 4.340 1.173 0.000 0.201 199 Q C -0.122 175.835 176.000 -0.071 0.000 0.946 199 Q CA 1.370 57.104 55.803 -0.114 0.000 0.877 199 Q CB 0.014 28.655 28.738 -0.161 0.000 0.963 199 Q HN 0.915 9.185 8.270 0.000 0.000 0.472 200 N N -1.767 116.897 118.700 -0.059 0.000 3.364 200 N HA 0.028 5.471 4.740 1.173 0.000 0.294 200 N C -0.026 175.489 175.510 0.008 0.000 1.562 200 N CA -0.351 52.684 53.050 -0.025 0.000 0.862 200 N CB 0.265 38.732 38.487 -0.033 0.000 1.691 200 N HN -0.347 8.033 8.380 0.000 0.000 0.572 201 E N 0.069 120.281 120.200 0.020 0.000 2.047 201 E HA 0.060 5.113 4.350 1.173 0.000 0.191 201 E C 1.466 178.105 176.600 0.066 0.000 0.987 201 E CA 1.260 57.684 56.400 0.040 0.000 0.799 201 E CB -0.132 29.588 29.700 0.033 0.000 0.752 201 E HN 0.404 8.764 8.360 0.000 0.000 0.449 202 R N 1.050 121.584 120.500 0.056 0.000 2.094 202 R HA -0.153 4.891 4.340 1.173 0.000 0.239 202 R C 1.611 178.005 176.300 0.156 0.000 1.137 202 R CA 1.709 57.858 56.100 0.081 0.000 0.943 202 R CB -0.750 29.573 30.300 0.038 0.000 0.850 202 R HN 0.261 8.531 8.270 0.000 0.000 0.433 203 D N -0.226 120.257 120.400 0.139 0.000 2.219 203 D HA -0.062 5.282 4.640 1.173 0.000 0.205 203 D C 1.733 178.293 176.300 0.434 0.000 0.970 203 D CA 1.132 55.308 54.000 0.293 0.000 0.851 203 D CB -0.225 40.597 40.800 0.037 0.000 0.943 203 D HN 0.202 8.572 8.370 0.000 0.000 0.488 204 T N 0.874 115.576 114.554 0.247 0.000 2.737 204 T HA -0.113 4.941 4.350 1.173 0.000 0.265 204 T C 1.865 176.667 174.700 0.170 0.000 1.038 204 T CA 0.466 62.682 62.100 0.194 0.000 1.144 204 T CB -0.295 68.634 68.868 0.102 0.000 0.866 204 T HN 0.044 8.284 8.240 0.000 0.000 0.434 205 L N 0.020 121.338 121.223 0.159 0.000 2.017 205 L HA 0.018 5.061 4.340 1.173 0.000 0.208 205 L C 2.128 179.092 176.870 0.156 0.000 1.073 205 L CA 1.663 56.579 54.840 0.126 0.000 0.745 205 L CB -0.827 41.298 42.059 0.110 0.000 0.894 205 L HN 0.458 8.688 8.230 0.000 0.000 0.432 206 W N 0.335 121.669 121.300 0.057 0.000 2.317 206 W HA -0.307 5.056 4.660 1.172 0.000 0.318 206 W C 2.397 178.911 176.519 -0.007 0.000 1.227 206 W CA 2.934 60.306 57.345 0.045 0.000 1.269 206 W CB -0.525 28.996 29.460 0.102 0.000 1.155 206 W HN 0.255 8.435 8.180 0.000 0.000 0.484 207 A N 0.378 123.331 122.820 0.222 0.000 1.933 207 A HA -0.182 4.842 4.320 1.173 0.000 0.218 207 A C 2.000 179.475 177.584 -0.180 0.000 1.175 207 A CA 1.850 53.820 52.037 -0.112 0.000 0.628 207 A CB -0.812 18.194 19.000 0.010 0.000 0.814 207 A HN 0.424 8.574 8.150 0.000 0.000 0.444 208 R N -0.717 119.741 120.500 -0.070 0.000 2.081 208 R HA -0.144 4.900 4.340 1.173 0.000 0.235 208 R C 2.517 178.739 176.300 -0.131 0.000 1.131 208 R CA 1.798 57.852 56.100 -0.077 0.000 0.960 208 R CB -0.270 30.015 30.300 -0.025 0.000 0.856 208 R HN 0.699 8.969 8.270 0.000 0.000 0.436 209 Q N -0.182 119.519 119.800 -0.165 0.000 2.079 209 Q HA -0.126 4.918 4.340 1.173 0.000 0.200 209 Q C 2.252 178.085 176.000 -0.277 0.000 0.974 209 Q CA 1.796 57.483 55.803 -0.193 0.000 0.840 209 Q CB -0.058 28.576 28.738 -0.174 0.000 0.898 209 Q HN 0.349 8.619 8.270 0.000 0.000 0.430 210 V N -1.769 117.877 119.914 -0.446 0.000 2.515 210 V HA -0.166 4.658 4.120 1.173 0.000 0.250 210 V C 1.937 177.873 176.094 -0.263 0.000 1.058 210 V CA 1.036 63.057 62.300 -0.465 0.000 1.064 210 V CB -0.445 30.881 31.823 -0.828 0.000 0.675 210 V HN 0.156 8.346 8.190 0.000 0.000 0.461 211 L N 1.192 122.294 121.223 -0.201 0.000 2.056 211 L HA 0.140 5.184 4.340 1.173 0.000 0.207 211 L C 2.879 179.673 176.870 -0.126 0.000 1.078 211 L CA 2.033 56.834 54.840 -0.064 0.000 0.749 211 L CB -1.568 40.462 42.059 -0.048 0.000 0.901 211 L HN 0.403 8.633 8.230 0.000 0.000 0.433 212 A N -0.558 122.174 122.820 -0.146 0.000 1.883 212 A HA -0.142 4.882 4.320 1.173 0.000 0.217 212 A C 1.113 178.586 177.584 -0.185 0.000 1.186 212 A CA 0.922 52.871 52.037 -0.146 0.000 0.624 212 A CB -0.434 18.495 19.000 -0.118 0.000 0.822 212 A HN 0.290 8.440 8.150 0.000 0.000 0.444 213 R N 0.168 120.553 120.500 -0.192 0.000 2.291 213 R HA 0.396 5.439 4.340 1.173 0.000 0.333 213 R C 0.337 176.476 176.300 -0.268 0.000 1.082 213 R CA 0.550 56.533 56.100 -0.194 0.000 0.948 213 R CB -1.274 28.929 30.300 -0.163 0.000 1.009 213 R HN 1.037 9.307 8.270 0.000 0.000 0.460 214 G N 3.273 111.886 108.800 -0.312 0.000 3.129 214 G HA2 -0.213 4.451 3.960 1.173 0.000 0.385 214 G HA3 -0.213 4.451 3.960 1.173 0.000 0.385 214 G C -0.497 173.891 174.900 -0.854 0.000 1.046 214 G CA -0.663 44.140 45.100 -0.496 0.000 0.933 214 G HN 0.648 8.938 8.290 0.000 0.000 0.424 215 D N 1.126 121.174 120.400 -0.586 0.000 2.376 215 D HA 0.098 5.442 4.640 1.173 0.000 0.278 215 D C 0.863 176.897 176.300 -0.444 0.000 1.384 215 D CA 0.643 54.391 54.000 -0.420 0.000 1.033 215 D CB 0.057 40.728 40.800 -0.215 0.000 1.102 215 D HN 0.609 8.979 8.370 0.000 0.000 0.530 216 Y N 0.267 120.517 120.300 -0.083 0.000 2.527 216 Y HA 0.025 5.278 4.550 1.173 0.000 0.247 216 Y C 1.618 177.461 175.900 -0.095 0.000 1.138 216 Y CA -0.749 57.298 58.100 -0.088 0.000 1.228 216 Y CB 0.571 38.971 38.460 -0.100 0.000 1.252 216 Y HN 0.190 8.470 8.280 0.000 0.000 0.531 217 D N 0.822 121.219 120.400 -0.005 0.000 2.371 217 D HA -0.090 5.254 4.640 1.173 0.000 0.234 217 D C 0.834 177.114 176.300 -0.035 0.000 1.049 217 D CA 0.619 54.599 54.000 -0.033 0.000 0.907 217 D CB -0.062 40.703 40.800 -0.058 0.000 0.891 217 D HN 0.356 8.726 8.370 0.000 0.000 0.531 218 K N -0.574 119.812 120.400 -0.022 0.000 2.412 218 K HA 0.145 5.169 4.320 1.173 0.000 0.202 218 K C 0.524 177.106 176.600 -0.030 0.000 1.102 218 K CA -0.102 56.170 56.287 -0.025 0.000 1.027 218 K CB 0.506 32.995 32.500 -0.018 0.000 0.931 218 K HN -0.050 8.200 8.250 0.000 0.000 0.557 219 N N 0.503 119.189 118.700 -0.024 0.000 2.294 219 N HA 0.090 5.534 4.740 1.173 0.000 0.186 219 N C -0.422 175.021 175.510 -0.112 0.000 1.107 219 N CA 0.113 53.137 53.050 -0.043 0.000 0.884 219 N CB 1.203 39.688 38.487 -0.004 0.000 1.030 219 N HN 0.055 8.435 8.380 0.000 0.000 0.482 220 A N 0.240 122.985 122.820 -0.125 0.000 2.449 220 A HA 0.773 5.797 4.320 1.173 0.000 0.302 220 A C -0.678 176.760 177.584 -0.242 0.000 1.048 220 A CA -0.628 51.284 52.037 -0.209 0.000 0.708 220 A CB 1.615 20.534 19.000 -0.134 0.000 1.274 220 A HN 0.044 8.194 8.150 0.000 0.000 0.410 221 R N 0.433 120.695 120.500 -0.398 0.000 2.803 221 R HA 0.684 5.728 4.340 1.173 0.000 0.276 221 R C -1.198 175.015 176.300 -0.145 0.000 0.978 221 R CA -0.756 55.184 56.100 -0.267 0.000 0.939 221 R CB 2.350 32.472 30.300 -0.296 0.000 1.179 221 R HN 0.477 8.747 8.270 0.000 0.000 0.472 222 V N 4.004 123.887 119.914 -0.052 0.000 2.532 222 V HA 0.535 5.359 4.120 1.173 0.000 0.295 222 V C 0.162 176.256 176.094 0.000 0.000 1.041 222 V CA -0.637 61.659 62.300 -0.006 0.000 0.926 222 V CB 1.409 33.243 31.823 0.018 0.000 0.992 222 V HN 0.643 8.833 8.190 0.000 0.000 0.457 223 I N 1.864 122.410 120.570 -0.040 0.000 2.828 223 I HA 0.865 5.739 4.170 1.173 0.000 0.302 223 I C -0.992 175.036 176.117 -0.148 0.000 1.101 223 I CA -0.782 60.441 61.300 -0.129 0.000 1.031 223 I CB 2.651 40.459 38.000 -0.320 0.000 1.231 223 I HN 0.737 8.947 8.210 0.000 0.000 0.427 224 N N 1.120 119.717 118.700 -0.172 0.000 2.525 224 N HA 0.238 5.682 4.740 1.173 0.000 0.270 224 N C 0.020 175.378 175.510 -0.253 0.000 1.321 224 N CA -0.876 52.067 53.050 -0.179 0.000 0.797 224 N CB 1.579 40.025 38.487 -0.068 0.000 1.529 224 N HN 0.809 9.189 8.380 0.000 0.000 0.491 225 E N 0.608 120.674 120.200 -0.222 0.000 2.085 225 E HA -0.238 4.816 4.350 1.173 0.000 0.194 225 E C 0.623 177.230 176.600 0.013 0.000 0.994 225 E CA 1.652 57.969 56.400 -0.139 0.000 0.801 225 E CB -0.162 29.582 29.700 0.074 0.000 0.743 225 E HN 0.669 9.029 8.360 0.000 0.000 0.453 226 N N -0.070 118.645 118.700 0.025 0.000 2.058 226 N HA -0.167 5.277 4.740 1.173 0.000 0.191 226 N C 1.828 177.385 175.510 0.078 0.000 1.037 226 N CA 1.249 54.346 53.050 0.078 0.000 0.848 226 N CB -0.078 38.457 38.487 0.081 0.000 1.021 226 N HN 0.208 8.588 8.380 0.000 0.000 0.422 227 E N 0.686 120.910 120.200 0.039 0.000 2.085 227 E HA -0.181 4.873 4.350 1.173 0.000 0.194 227 E C 1.692 178.329 176.600 0.061 0.000 0.994 227 E CA 0.863 57.291 56.400 0.047 0.000 0.801 227 E CB 0.100 29.814 29.700 0.024 0.000 0.743 227 E HN 0.309 8.669 8.360 0.000 0.000 0.453 228 E N 0.538 120.750 120.200 0.020 0.000 2.107 228 E HA -0.103 4.951 4.350 1.173 0.000 0.191 228 E C 1.777 178.494 176.600 0.195 0.000 0.982 228 E CA 0.447 56.890 56.400 0.071 0.000 0.809 228 E CB -0.264 29.373 29.700 -0.104 0.000 0.756 228 E HN 0.267 8.627 8.360 0.000 0.000 0.459 229 N N 0.985 119.813 118.700 0.213 0.000 2.166 229 N HA -0.139 5.305 4.740 1.173 0.000 0.186 229 N C 1.680 177.319 175.510 0.215 0.000 1.019 229 N CA 0.973 54.156 53.050 0.222 0.000 0.856 229 N CB 0.006 38.591 38.487 0.164 0.000 0.993 229 N HN 0.207 8.587 8.380 0.000 0.000 0.426 230 K N 0.829 121.338 120.400 0.182 0.000 2.025 230 K HA -0.070 4.954 4.320 1.173 0.000 0.207 230 K C 2.182 178.893 176.600 0.186 0.000 1.049 230 K CA 0.657 57.052 56.287 0.180 0.000 0.933 230 K CB -0.092 32.496 32.500 0.147 0.000 0.714 230 K HN 0.095 8.345 8.250 0.000 0.000 0.438 231 R N 1.198 121.799 120.500 0.167 0.000 2.083 231 R HA -0.128 4.916 4.340 1.173 0.000 0.237 231 R C 2.225 178.652 176.300 0.212 0.000 1.137 231 R CA 1.490 57.692 56.100 0.169 0.000 0.951 231 R CB -0.277 30.103 30.300 0.134 0.000 0.851 231 R HN 0.120 8.390 8.270 0.000 0.000 0.434 232 I N 0.255 120.949 120.570 0.207 0.000 2.226 232 I HA -0.261 4.613 4.170 1.173 0.000 0.245 232 I C 2.372 178.680 176.117 0.320 0.000 1.100 232 I CA 1.193 62.629 61.300 0.225 0.000 1.374 232 I CB -0.220 37.883 38.000 0.173 0.000 1.057 232 I HN 0.146 8.356 8.210 0.000 0.000 0.413 233 S N 0.782 116.673 115.700 0.319 0.000 2.365 233 S HA -0.157 5.017 4.470 1.173 0.000 0.225 233 S C 2.038 176.824 174.600 0.311 0.000 1.039 233 S CA 1.231 59.649 58.200 0.363 0.000 1.033 233 S CB -0.244 63.161 63.200 0.342 0.000 0.887 233 S HN 0.268 8.578 8.310 0.000 0.000 0.447 234 I N -0.073 120.658 120.570 0.269 0.000 2.163 234 I HA -0.204 4.670 4.170 1.173 0.000 0.243 234 I C 2.104 178.384 176.117 0.273 0.000 1.085 234 I CA 1.243 62.681 61.300 0.230 0.000 1.347 234 I CB -1.443 36.678 38.000 0.203 0.000 1.044 234 I HN 0.490 8.700 8.210 0.000 0.000 0.408 235 W N 1.745 123.146 121.300 0.168 0.000 2.355 235 W HA -0.180 5.181 4.660 1.169 0.000 0.309 235 W C 2.500 179.193 176.519 0.289 0.000 1.206 235 W CA 1.423 58.910 57.345 0.237 0.000 1.284 235 W CB -0.426 29.146 29.460 0.186 0.000 1.145 235 W HN -0.013 8.167 8.180 0.000 0.000 0.502 236 L N 0.405 121.874 121.223 0.409 0.000 2.131 236 L HA -0.231 4.813 4.340 1.173 0.000 0.210 236 L C 2.098 179.055 176.870 0.146 0.000 1.092 236 L CA 1.487 56.486 54.840 0.265 0.000 0.759 236 L CB -0.906 41.322 42.059 0.281 0.000 0.903 236 L HN -0.088 8.142 8.230 0.000 0.000 0.435 237 D N -0.542 119.941 120.400 0.140 0.000 2.158 237 D HA -0.169 5.174 4.640 1.173 0.000 0.197 237 D C 2.132 178.385 176.300 -0.079 0.000 0.995 237 D CA 1.716 55.754 54.000 0.065 0.000 0.846 237 D CB -0.128 40.716 40.800 0.072 0.000 0.941 237 D HN 0.268 8.637 8.370 0.000 0.000 0.456 238 T N -0.870 113.549 114.554 -0.225 0.000 2.814 238 T HA -0.045 5.009 4.350 1.173 0.000 0.254 238 T C 1.719 176.017 174.700 -0.671 0.000 1.037 238 T CA 0.658 62.451 62.100 -0.512 0.000 1.143 238 T CB -0.278 68.122 68.868 -0.780 0.000 0.866 238 T HN 0.202 8.442 8.240 0.000 0.000 0.431 239 Y N -0.928 119.084 120.300 -0.480 0.000 2.448 239 Y HA 0.235 5.487 4.550 1.171 0.000 0.289 239 Y C 0.302 175.889 175.900 -0.522 0.000 1.114 239 Y CA 0.159 57.895 58.100 -0.606 0.000 1.235 239 Y CB 0.345 38.114 38.460 -1.151 0.000 1.045 239 Y HN 0.202 8.482 8.280 0.000 0.000 0.554 240 Y N 0.243 120.462 120.300 -0.135 0.000 2.490 240 Y HA 0.272 5.529 4.550 1.179 0.000 0.346 240 Y C -1.941 173.973 175.900 0.023 0.000 1.023 240 Y CA -2.364 55.724 58.100 -0.020 0.000 1.142 240 Y CB 0.688 39.169 38.460 0.035 0.000 1.126 240 Y HN -0.055 8.225 8.280 0.000 0.000 0.647 241 P HA -0.158 4.262 4.420 0.000 0.000 0.220 241 P C 0.788 178.151 177.300 0.106 0.000 1.148 241 P CA 1.399 64.535 63.100 0.060 0.000 0.803 241 P CB 0.577 32.266 31.700 -0.019 0.000 0.782 242 Q N -0.904 118.963 119.800 0.113 0.000 2.392 242 Q HA 0.120 5.163 4.340 1.173 0.000 0.203 242 Q C 0.778 176.879 176.000 0.168 0.000 0.917 242 Q CA -0.478 55.393 55.803 0.114 0.000 0.939 242 Q CB -0.543 28.241 28.738 0.076 0.000 1.063 242 Q HN 0.244 8.514 8.270 0.000 0.000 0.516 243 L N 2.003 123.381 121.223 0.259 0.000 2.628 243 L HA 0.037 5.081 4.340 1.173 0.000 0.274 243 L C -0.261 176.807 176.870 0.331 0.000 1.209 243 L CA 0.079 55.114 54.840 0.325 0.000 0.930 243 L CB 0.300 42.591 42.059 0.387 0.000 1.183 243 L HN 0.072 8.303 8.230 0.000 0.000 0.492 244 A N 6.937 129.883 122.820 0.210 0.000 2.294 244 A HA 0.557 5.581 4.320 1.173 0.000 0.316 244 A C -0.932 176.680 177.584 0.046 0.000 1.359 244 A CA -0.314 51.755 52.037 0.054 0.000 0.956 244 A CB -0.404 18.583 19.000 -0.021 0.000 1.155 244 A HN 0.802 8.952 8.150 0.000 0.000 0.544 245 Y N 0.045 120.217 120.300 -0.214 0.000 2.689 245 Y HA 0.702 5.947 4.550 1.158 0.000 0.333 245 Y C -0.446 175.181 175.900 -0.455 0.000 1.190 245 Y CA -1.159 56.760 58.100 -0.303 0.000 1.063 245 Y CB 0.666 39.003 38.460 -0.206 0.000 1.294 245 Y HN 0.312 8.592 8.280 0.000 0.000 0.466 246 Y N 0.692 121.019 120.300 0.046 0.000 2.347 246 Y HA 0.534 5.787 4.550 1.171 0.000 0.274 246 Y C 0.716 176.601 175.900 -0.024 0.000 1.124 246 Y CA 0.511 58.648 58.100 0.063 0.000 1.208 246 Y CB 0.395 39.074 38.460 0.364 0.000 1.142 246 Y HN 0.645 8.925 8.280 0.000 0.000 0.506 247 R N -0.552 119.999 120.500 0.086 0.000 2.709 247 R HA 0.457 5.501 4.340 1.173 0.000 0.270 247 R C -2.369 173.658 176.300 -0.454 0.000 1.038 247 R CA -0.470 55.508 56.100 -0.203 0.000 0.872 247 R CB 0.901 30.954 30.300 -0.410 0.000 1.259 247 R HN 0.122 8.392 8.270 0.000 0.000 0.473 248 I N 3.026 123.330 120.570 -0.443 0.000 2.377 248 I HA 0.403 5.277 4.170 1.173 0.000 0.293 248 I C -0.182 175.420 176.117 -0.858 0.000 0.987 248 I CA -0.855 60.140 61.300 -0.508 0.000 1.185 248 I CB 1.475 39.329 38.000 -0.243 0.000 1.341 248 I HN 0.399 8.609 8.210 0.000 0.000 0.455 249 H N 5.777 124.436 119.070 -0.686 0.000 2.472 249 H HA 0.356 4.511 4.556 -0.667 0.000 0.338 249 H C -0.794 174.175 175.328 -0.599 0.000 1.133 249 H CA -0.447 55.259 56.048 -0.570 0.000 1.216 249 H CB 1.926 31.303 29.762 -0.640 0.000 1.497 249 H HN 0.510 8.790 8.280 0.000 0.000 0.500 250 F N 0.780 120.727 119.950 -0.004 0.000 2.881 250 F HA 0.122 5.342 4.527 1.156 0.000 0.343 250 F C 1.062 176.866 175.800 0.007 0.000 1.233 250 F CA -0.413 57.595 58.000 0.013 0.000 1.262 250 F CB 0.246 39.253 39.000 0.012 0.000 0.980 250 F HN 0.460 8.760 8.300 0.000 0.000 0.506 251 D N 0.387 120.847 120.400 0.099 0.000 2.149 251 D HA -0.227 5.117 4.640 1.173 0.000 0.194 251 D C 1.037 177.375 176.300 0.064 0.000 1.001 251 D CA 1.469 55.501 54.000 0.053 0.000 0.849 251 D CB 0.102 40.904 40.800 0.003 0.000 0.939 251 D HN 0.123 8.493 8.370 0.000 0.000 0.449 252 E N 0.002 120.245 120.200 0.073 0.000 2.149 252 E HA 0.153 5.206 4.350 1.173 0.000 0.255 252 E C -2.032 174.652 176.600 0.140 0.000 0.888 252 E CA -2.511 53.937 56.400 0.081 0.000 0.742 252 E CB 1.331 31.062 29.700 0.051 0.000 1.164 252 E HN -0.118 8.242 8.360 0.000 0.000 0.422 253 P HA -0.149 4.271 4.420 0.000 0.000 0.222 253 P C 0.805 178.302 177.300 0.328 0.000 1.147 253 P CA 0.594 63.881 63.100 0.311 0.000 0.790 253 P CB 0.402 32.196 31.700 0.157 0.000 0.780 254 R N 0.053 120.669 120.500 0.195 0.000 2.189 254 R HA -0.016 5.028 4.340 1.173 0.000 0.223 254 R C 0.934 177.283 176.300 0.081 0.000 1.092 254 R CA 0.884 57.069 56.100 0.141 0.000 0.989 254 R CB -0.468 29.882 30.300 0.085 0.000 0.876 254 R HN 0.167 8.437 8.270 0.000 0.000 0.457 255 K N 0.363 120.812 120.400 0.081 0.000 3.084 255 K HA 0.231 5.255 4.320 1.173 0.000 0.172 255 K C -2.600 173.997 176.600 -0.004 0.000 1.078 255 K CA -1.860 54.441 56.287 0.024 0.000 0.875 255 K CB 1.273 33.785 32.500 0.019 0.000 1.064 255 K HN -0.113 8.137 8.250 0.000 0.000 0.597 256 P HA 0.004 4.424 4.420 0.000 0.000 0.269 256 P C -0.497 176.700 177.300 -0.171 0.000 1.209 256 P CA -0.259 62.690 63.100 -0.252 0.000 0.776 256 P CB 1.166 32.591 31.700 -0.460 0.000 0.876 257 V N 4.109 123.919 119.914 -0.173 0.000 2.417 257 V HA 0.267 5.091 4.120 1.173 0.000 0.291 257 V C -0.159 175.963 176.094 0.047 0.000 1.024 257 V CA -0.524 61.782 62.300 0.010 0.000 0.861 257 V CB 0.909 32.802 31.823 0.117 0.000 0.985 257 V HN 0.401 8.591 8.190 0.000 0.000 0.436 258 F N 5.320 125.265 119.950 -0.009 0.000 2.404 258 F HA 0.511 5.755 4.527 1.195 0.000 0.358 258 F C -0.559 175.410 175.800 0.283 0.000 1.120 258 F CA -0.901 57.113 58.000 0.023 0.000 1.144 258 F CB 0.682 39.649 39.000 -0.056 0.000 1.133 258 F HN 0.472 8.772 8.300 0.000 0.000 0.495 259 W N 8.681 129.799 121.300 -0.302 0.000 2.416 259 W HA 0.413 6.006 4.660 1.557 0.000 0.318 259 W C -0.828 175.612 176.519 -0.130 0.000 1.150 259 W CA -0.975 56.298 57.345 -0.119 0.000 1.392 259 W CB 0.583 30.028 29.460 -0.026 0.000 1.311 259 W HN 0.288 8.468 8.180 0.000 0.000 0.436 260 L N 2.756 124.087 121.223 0.181 0.000 2.322 260 L HA 0.549 5.593 4.340 1.173 0.000 0.269 260 L C 0.436 177.435 176.870 0.214 0.000 1.012 260 L CA -0.472 54.467 54.840 0.166 0.000 0.815 260 L CB 1.895 44.081 42.059 0.213 0.000 1.295 260 L HN 0.196 8.426 8.230 0.000 0.000 0.438 261 S N 2.717 118.485 115.700 0.114 0.000 2.505 261 S HA 0.226 5.399 4.470 1.173 0.000 0.276 261 S C 1.240 175.879 174.600 0.065 0.000 1.274 261 S CA -0.061 58.197 58.200 0.097 0.000 1.053 261 S CB 0.384 63.505 63.200 -0.131 0.000 0.919 261 S HN 0.783 9.093 8.310 0.000 0.000 0.490 262 R N 3.354 123.892 120.500 0.064 0.000 2.082 262 R HA -0.147 4.897 4.340 1.173 0.000 0.234 262 R C 2.077 178.385 176.300 0.013 0.000 1.136 262 R CA 2.273 58.390 56.100 0.028 0.000 0.935 262 R CB -0.395 29.912 30.300 0.012 0.000 0.842 262 R HN 0.754 9.024 8.270 0.000 0.000 0.430 263 Q N -0.394 119.403 119.800 -0.005 0.000 2.124 263 Q HA -0.087 4.957 4.340 1.173 0.000 0.202 263 Q C 2.004 177.997 176.000 -0.011 0.000 0.977 263 Q CA 1.669 57.465 55.803 -0.012 0.000 0.850 263 Q CB 0.090 28.813 28.738 -0.024 0.000 0.901 263 Q HN 0.235 8.505 8.270 0.000 0.000 0.429 264 R N 0.058 120.542 120.500 -0.027 0.000 2.300 264 R HA 0.095 5.139 4.340 1.173 0.000 0.199 264 R C -0.027 176.284 176.300 0.018 0.000 0.920 264 R CA -0.176 55.914 56.100 -0.016 0.000 1.046 264 R CB 0.110 30.375 30.300 -0.058 0.000 0.984 264 R HN 0.138 8.408 8.270 0.000 0.000 0.493 265 N N 0.434 119.152 118.700 0.030 0.000 2.454 265 N HA -0.071 5.373 4.740 1.173 0.000 0.260 265 N C 0.446 175.987 175.510 0.052 0.000 1.218 265 N CA 0.657 53.740 53.050 0.056 0.000 0.904 265 N CB 0.977 39.501 38.487 0.060 0.000 1.065 265 N HN 0.043 8.423 8.380 0.000 0.000 0.462 266 T N -0.027 114.566 114.554 0.065 0.000 3.091 266 T HA 0.304 5.357 4.350 1.173 0.000 0.277 266 T C 0.393 175.132 174.700 0.064 0.000 0.996 266 T CA -0.311 61.824 62.100 0.058 0.000 0.897 266 T CB -0.257 68.645 68.868 0.057 0.000 1.109 266 T HN 0.339 8.579 8.240 0.000 0.000 0.534 267 M N 2.938 122.583 119.600 0.074 0.000 2.363 267 M HA 0.530 5.713 4.480 1.173 0.000 0.343 267 M C 0.469 176.804 176.300 0.058 0.000 1.165 267 M CA -0.709 54.638 55.300 0.078 0.000 1.046 267 M CB 2.011 34.673 32.600 0.103 0.000 1.648 267 M HN 0.329 8.619 8.290 0.000 0.000 0.452 268 S N 1.771 117.502 115.700 0.051 0.000 2.634 268 S HA 0.239 5.412 4.470 1.173 0.000 0.261 268 S C 0.974 175.596 174.600 0.037 0.000 1.271 268 S CA -0.642 57.581 58.200 0.038 0.000 0.985 268 S CB 0.994 64.214 63.200 0.032 0.000 0.968 268 S HN 0.846 9.156 8.310 0.000 0.000 0.568 269 K N 0.928 121.345 120.400 0.027 0.000 2.044 269 K HA -0.236 4.788 4.320 1.173 0.000 0.210 269 K C 2.223 178.836 176.600 0.021 0.000 1.049 269 K CA 1.954 58.254 56.287 0.022 0.000 0.927 269 K CB -0.420 32.090 32.500 0.016 0.000 0.713 269 K HN 0.747 8.997 8.250 0.000 0.000 0.443 270 K N 0.935 121.349 120.400 0.023 0.000 2.009 270 K HA -0.214 4.810 4.320 1.173 0.000 0.210 270 K C 1.832 178.452 176.600 0.034 0.000 1.049 270 K CA 2.131 58.432 56.287 0.023 0.000 0.929 270 K CB -0.090 32.424 32.500 0.022 0.000 0.714 270 K HN 0.206 8.456 8.250 0.000 0.000 0.440 271 E N 0.487 120.716 120.200 0.048 0.000 2.118 271 E HA -0.196 4.857 4.350 1.173 0.000 0.195 271 E C 2.066 178.710 176.600 0.073 0.000 0.992 271 E CA 1.434 57.881 56.400 0.078 0.000 0.804 271 E CB -0.055 29.701 29.700 0.094 0.000 0.741 271 E HN 0.344 8.704 8.360 0.000 0.000 0.458 272 L N 0.506 121.755 121.223 0.043 0.000 2.131 272 L HA -0.126 4.918 4.340 1.173 0.000 0.206 272 L C 2.345 179.205 176.870 -0.016 0.000 1.087 272 L CA 0.888 55.735 54.840 0.012 0.000 0.767 272 L CB -0.228 41.845 42.059 0.024 0.000 0.917 272 L HN 0.107 8.337 8.230 0.000 0.000 0.441 273 E N -0.227 119.970 120.200 -0.004 0.000 2.085 273 E HA -0.207 4.847 4.350 1.173 0.000 0.194 273 E C 2.263 178.849 176.600 -0.024 0.000 0.994 273 E CA 1.393 57.782 56.400 -0.017 0.000 0.801 273 E CB -0.011 29.684 29.700 -0.007 0.000 0.743 273 E HN 0.264 8.624 8.360 0.000 0.000 0.453 274 V N 1.403 121.319 119.914 0.005 0.000 2.307 274 V HA -0.252 4.572 4.120 1.173 0.000 0.245 274 V C 2.349 178.451 176.094 0.013 0.000 1.045 274 V CA 1.473 63.788 62.300 0.024 0.000 1.024 274 V CB -0.463 31.402 31.823 0.070 0.000 0.651 274 V HN 0.253 8.443 8.190 0.000 0.000 0.449 275 L N 0.746 121.965 121.223 -0.006 0.000 1.997 275 L HA -0.224 4.820 4.340 1.173 0.000 0.216 275 L C 2.702 179.428 176.870 -0.241 0.000 1.074 275 L CA 2.727 57.467 54.840 -0.167 0.000 0.763 275 L CB -1.079 40.765 42.059 -0.359 0.000 0.890 275 L HN 0.406 8.636 8.230 0.000 0.000 0.434 276 S N -1.209 114.367 115.700 -0.207 0.000 2.374 276 S HA -0.317 4.857 4.470 1.173 0.000 0.227 276 S C 1.974 176.456 174.600 -0.197 0.000 1.037 276 S CA 1.859 59.929 58.200 -0.215 0.000 1.024 276 S CB -0.443 62.677 63.200 -0.134 0.000 0.861 276 S HN 0.735 9.045 8.310 0.000 0.000 0.456 277 Q N 0.321 120.038 119.800 -0.138 0.000 2.124 277 Q HA -0.078 4.966 4.340 1.173 0.000 0.202 277 Q C 2.380 178.279 176.000 -0.169 0.000 0.977 277 Q CA 1.582 57.307 55.803 -0.129 0.000 0.850 277 Q CB -0.142 28.549 28.738 -0.078 0.000 0.901 277 Q HN 0.583 8.853 8.270 0.000 0.000 0.429 278 K N 0.396 120.697 120.400 -0.164 0.000 2.057 278 K HA -0.083 4.941 4.320 1.173 0.000 0.206 278 K C 2.053 178.364 176.600 -0.483 0.000 1.050 278 K CA 0.857 57.000 56.287 -0.239 0.000 0.935 278 K CB -0.053 32.441 32.500 -0.010 0.000 0.715 278 K HN 0.151 8.401 8.250 0.000 0.000 0.439 279 L N 0.581 121.532 121.223 -0.453 0.000 2.042 279 L HA -0.211 4.833 4.340 1.173 0.000 0.210 279 L C 2.742 179.367 176.870 -0.409 0.000 1.076 279 L CA 1.331 55.873 54.840 -0.497 0.000 0.749 279 L CB -0.390 41.374 42.059 -0.492 0.000 0.893 279 L HN 0.210 8.440 8.230 0.000 0.000 0.432 280 R N 0.259 120.561 120.500 -0.329 0.000 2.073 280 R HA -0.172 4.872 4.340 1.173 0.000 0.234 280 R C 2.347 178.465 176.300 -0.304 0.000 1.134 280 R CA 1.434 57.358 56.100 -0.293 0.000 0.952 280 R CB -0.274 29.895 30.300 -0.218 0.000 0.850 280 R HN 0.333 8.603 8.270 0.000 0.000 0.433 281 A N 0.974 123.625 122.820 -0.282 0.000 1.978 281 A HA -0.144 4.880 4.320 1.173 0.000 0.220 281 A C 2.124 179.526 177.584 -0.303 0.000 1.170 281 A CA 1.228 53.111 52.037 -0.257 0.000 0.636 281 A CB -0.492 18.372 19.000 -0.226 0.000 0.810 281 A HN 0.379 8.529 8.150 0.000 0.000 0.448 282 L N -1.822 119.153 121.223 -0.413 0.000 2.291 282 L HA 0.069 5.113 4.340 1.173 0.000 0.214 282 L C 0.751 177.435 176.870 -0.311 0.000 1.120 282 L CA 0.531 55.126 54.840 -0.408 0.000 0.799 282 L CB -0.161 41.557 42.059 -0.568 0.000 0.925 282 L HN 0.380 8.610 8.230 0.000 0.000 0.446 283 M N -0.186 119.170 119.600 -0.408 0.000 2.182 283 M HA 0.228 5.412 4.480 1.173 0.000 0.285 283 M C -1.826 174.024 176.300 -0.750 0.000 0.956 283 M CA -1.544 53.349 55.300 -0.678 0.000 0.878 283 M CB 1.566 33.639 32.600 -0.878 0.000 1.373 283 M HN -0.262 8.028 8.290 0.000 0.000 0.393 284 P HA -0.176 4.244 4.420 0.000 0.000 0.222 284 P C 0.540 177.658 177.300 -0.302 0.000 1.142 284 P CA 1.393 64.327 63.100 -0.278 0.000 0.788 284 P CB -0.273 31.410 31.700 -0.030 0.000 0.767 285 Y N -2.352 117.668 120.300 -0.467 0.000 2.511 285 Y HA 0.537 5.786 4.550 1.166 0.000 0.279 285 Y C 0.763 176.566 175.900 -0.162 0.000 1.157 285 Y CA -0.789 57.100 58.100 -0.351 0.000 1.300 285 Y CB -0.805 37.312 38.460 -0.571 0.000 1.052 285 Y HN -0.208 8.072 8.280 0.000 0.000 0.529 286 A N 1.082 123.614 122.820 -0.481 0.000 2.276 286 A HA 0.309 5.333 4.320 1.173 0.000 0.316 286 A C 0.275 177.757 177.584 -0.171 0.000 1.229 286 A CA -0.520 51.353 52.037 -0.273 0.000 0.851 286 A CB 0.333 19.095 19.000 -0.397 0.000 1.165 286 A HN 0.306 8.456 8.150 0.000 0.000 0.513 287 D N 0.982 121.334 120.400 -0.081 0.000 2.178 287 D HA -0.023 5.320 4.640 1.173 0.000 0.201 287 D C 0.750 177.004 176.300 -0.077 0.000 0.980 287 D CA 2.208 56.171 54.000 -0.061 0.000 0.842 287 D CB 0.080 40.863 40.800 -0.028 0.000 0.948 287 D HN 0.724 9.094 8.370 0.000 0.000 0.472 288 S N -1.811 113.837 115.700 -0.086 0.000 2.597 288 S HA 0.467 5.641 4.470 1.173 0.000 0.274 288 S C -1.234 173.309 174.600 -0.096 0.000 1.132 288 S CA -1.067 57.081 58.200 -0.086 0.000 0.835 288 S CB 1.963 65.130 63.200 -0.055 0.000 1.092 288 S HN -0.182 8.128 8.310 0.000 0.000 0.457 289 V N 2.550 122.401 119.914 -0.105 0.000 2.380 289 V HA 0.492 5.316 4.120 1.173 0.000 0.286 289 V C -0.279 175.778 176.094 -0.062 0.000 1.015 289 V CA -0.741 61.495 62.300 -0.107 0.000 0.834 289 V CB 1.356 33.073 31.823 -0.177 0.000 1.009 289 V HN 0.941 9.131 8.190 0.000 0.000 0.428 290 N N 4.863 123.553 118.700 -0.017 0.000 2.470 290 N HA 0.324 5.768 4.740 1.173 0.000 0.268 290 N C -0.607 174.953 175.510 0.084 0.000 1.136 290 N CA -0.206 52.857 53.050 0.021 0.000 0.961 290 N CB 1.117 39.622 38.487 0.029 0.000 1.067 290 N HN 0.621 9.001 8.380 0.000 0.000 0.468 291 I N 2.843 123.464 120.570 0.085 0.000 2.312 291 I HA 0.085 4.959 4.170 1.173 0.000 0.291 291 I C 0.230 176.424 176.117 0.128 0.000 1.031 291 I CA -0.142 61.257 61.300 0.164 0.000 1.293 291 I CB 1.082 39.162 38.000 0.132 0.000 1.403 291 I HN 0.248 8.458 8.210 0.000 0.000 0.484 292 T N 7.501 122.148 114.554 0.155 0.000 2.779 292 T HA 0.488 5.542 4.350 1.173 0.000 0.280 292 T C -0.059 174.644 174.700 0.006 0.000 0.987 292 T CA -0.507 61.624 62.100 0.052 0.000 0.966 292 T CB 1.149 70.032 68.868 0.025 0.000 0.933 292 T HN 0.287 8.527 8.240 0.000 0.000 0.442 293 L N 4.604 125.812 121.223 -0.026 0.000 2.281 293 L HA 0.454 5.497 4.340 1.173 0.000 0.285 293 L C 0.096 176.909 176.870 -0.095 0.000 1.074 293 L CA -0.470 54.362 54.840 -0.014 0.000 0.817 293 L CB 0.467 42.529 42.059 0.005 0.000 1.168 293 L HN 0.343 8.573 8.230 0.000 0.000 0.434 294 M N 2.666 122.237 119.600 -0.048 0.000 2.508 294 M HA 0.322 5.506 4.480 1.173 0.000 0.327 294 M C -0.511 175.811 176.300 0.036 0.000 1.160 294 M CA -0.585 54.644 55.300 -0.118 0.000 0.980 294 M CB 1.921 34.336 32.600 -0.309 0.000 1.693 294 M HN 0.423 8.713 8.290 0.000 0.000 0.452 295 D N 1.401 121.798 120.400 -0.005 0.000 2.264 295 D HA 0.110 5.454 4.640 1.173 0.000 0.250 295 D C -0.074 176.213 176.300 -0.023 0.000 1.113 295 D CA -0.124 53.876 54.000 -0.001 0.000 0.871 295 D CB 1.454 42.247 40.800 -0.012 0.000 1.167 295 D HN 0.420 8.790 8.370 0.000 0.000 0.447 296 D N 2.757 123.139 120.400 -0.030 0.000 2.144 296 D HA -0.116 5.228 4.640 1.173 0.000 0.200 296 D C 2.068 178.397 176.300 0.048 0.000 0.978 296 D CA 0.732 54.682 54.000 -0.085 0.000 0.833 296 D CB 0.264 40.933 40.800 -0.217 0.000 0.961 296 D HN 0.231 8.601 8.370 0.000 0.000 0.470 297 V N 0.901 120.834 119.914 0.032 0.000 2.358 297 V HA -0.204 4.620 4.120 1.173 0.000 0.246 297 V C 2.416 178.520 176.094 0.017 0.000 1.047 297 V CA 1.801 64.129 62.300 0.046 0.000 1.035 297 V CB -0.726 31.117 31.823 0.035 0.000 0.658 297 V HN 0.227 8.417 8.190 0.000 0.000 0.452 298 T N 0.538 115.083 114.554 -0.016 0.000 2.708 298 T HA -0.173 4.881 4.350 1.173 0.000 0.266 298 T C 2.127 176.737 174.700 -0.150 0.000 1.037 298 T CA 1.623 63.712 62.100 -0.018 0.000 1.146 298 T CB -0.531 68.358 68.868 0.035 0.000 0.865 298 T HN 0.561 8.801 8.240 0.000 0.000 0.435 299 A N 1.795 124.339 122.820 -0.460 0.000 1.869 299 A HA -0.075 4.949 4.320 1.173 0.000 0.218 299 A C 2.658 180.022 177.584 -0.367 0.000 1.203 299 A CA 2.423 53.820 52.037 -1.067 0.000 0.638 299 A CB -1.325 17.128 19.000 -0.911 0.000 0.831 299 A HN 0.553 8.703 8.150 0.000 0.000 0.450 300 A N -1.008 121.787 122.820 -0.041 0.000 1.929 300 A HA 0.212 5.236 4.320 1.173 0.000 0.216 300 A C 2.454 180.080 177.584 0.070 0.000 1.176 300 A CA 1.804 53.893 52.037 0.087 0.000 0.628 300 A CB -1.409 17.679 19.000 0.146 0.000 0.816 300 A HN 0.849 8.999 8.150 0.000 0.000 0.444 301 G N -0.696 108.133 108.800 0.048 0.000 2.440 301 G HA2 -0.287 4.377 3.960 1.173 0.000 0.218 301 G HA3 -0.287 4.377 3.960 1.173 0.000 0.218 301 G C 1.604 176.532 174.900 0.047 0.000 1.154 301 G CA 1.072 46.204 45.100 0.053 0.000 0.767 301 G HN 0.619 8.909 8.290 0.000 0.000 0.552 302 Q N -0.018 119.834 119.800 0.086 0.000 2.170 302 Q HA 0.011 5.055 4.340 1.173 0.000 0.203 302 Q C 3.023 179.173 176.000 0.250 0.000 0.976 302 Q CA 1.038 56.968 55.803 0.211 0.000 0.858 302 Q CB -0.215 28.743 28.738 0.365 0.000 0.907 302 Q HN 0.506 8.776 8.270 0.000 0.000 0.433 303 A N 1.285 124.153 122.820 0.080 0.000 1.877 303 A HA -0.226 4.798 4.320 1.173 0.000 0.216 303 A C 1.825 179.082 177.584 -0.545 0.000 1.186 303 A CA 1.396 53.280 52.037 -0.255 0.000 0.620 303 A CB -0.401 18.100 19.000 -0.832 0.000 0.822 303 A HN 0.316 8.466 8.150 0.000 0.000 0.443 304 E N -0.278 119.599 120.200 -0.539 0.000 2.058 304 E HA -0.179 4.875 4.350 1.173 0.000 0.194 304 E C 2.342 178.812 176.600 -0.216 0.000 0.997 304 E CA 1.101 57.257 56.400 -0.408 0.000 0.801 304 E CB -0.305 29.393 29.700 -0.002 0.000 0.746 304 E HN 0.614 8.974 8.360 0.000 0.000 0.450 305 A N 1.130 123.884 122.820 -0.109 0.000 1.898 305 A HA -0.082 4.942 4.320 1.173 0.000 0.216 305 A C 2.430 179.909 177.584 -0.176 0.000 1.181 305 A CA 1.670 53.666 52.037 -0.068 0.000 0.620 305 A CB -0.986 18.019 19.000 0.009 0.000 0.819 305 A HN 0.358 8.508 8.150 0.000 0.000 0.442 306 G N -0.470 108.152 108.800 -0.297 0.000 2.408 306 G HA2 -0.063 4.601 3.960 1.173 0.000 0.217 306 G HA3 -0.063 4.601 3.960 1.173 0.000 0.217 306 G C 1.325 175.582 174.900 -1.072 0.000 1.150 306 G CA 1.013 45.633 45.100 -0.801 0.000 0.776 306 G HN 0.327 8.617 8.290 0.000 0.000 0.542 307 L N 0.585 121.298 121.223 -0.850 0.000 2.093 307 L HA 0.079 5.123 4.340 1.173 0.000 0.208 307 L C 2.717 179.473 176.870 -0.190 0.000 1.085 307 L CA 1.410 55.951 54.840 -0.499 0.000 0.755 307 L CB -0.819 40.972 42.059 -0.447 0.000 0.904 307 L HN 0.213 8.443 8.230 0.000 0.000 0.435 308 K N -1.190 119.147 120.400 -0.104 0.000 2.057 308 K HA -0.177 4.847 4.320 1.173 0.000 0.206 308 K C 2.069 178.629 176.600 -0.067 0.000 1.050 308 K CA 0.715 56.997 56.287 -0.008 0.000 0.935 308 K CB -0.139 32.382 32.500 0.034 0.000 0.715 308 K HN 0.247 8.497 8.250 0.000 0.000 0.439 309 Q N 0.949 120.672 119.800 -0.128 0.000 2.133 309 Q HA -0.209 4.835 4.340 1.173 0.000 0.208 309 Q C 1.605 177.540 176.000 -0.109 0.000 0.991 309 Q CA 1.632 57.366 55.803 -0.114 0.000 0.867 309 Q CB 0.107 28.759 28.738 -0.144 0.000 0.911 309 Q HN 0.361 8.631 8.270 0.000 0.000 0.417 310 Q N -1.093 118.610 119.800 -0.162 0.000 2.365 310 Q HA 0.179 5.223 4.340 1.173 0.000 0.203 310 Q C 0.468 176.432 176.000 -0.060 0.000 0.929 310 Q CA 0.545 56.280 55.803 -0.113 0.000 0.948 310 Q CB 0.400 29.047 28.738 -0.151 0.000 1.043 310 Q HN 0.408 8.678 8.270 0.000 0.000 0.505 311 A N 0.851 123.644 122.820 -0.045 0.000 2.745 311 A HA -0.186 4.838 4.320 1.173 0.000 0.296 311 A C -0.300 177.288 177.584 0.008 0.000 1.500 311 A CA 0.339 52.368 52.037 -0.012 0.000 0.766 311 A CB -1.824 17.169 19.000 -0.011 0.000 1.030 311 A HN 0.244 8.394 8.150 0.000 0.000 0.489 312 L N 0.929 122.166 121.223 0.024 0.000 2.257 312 L HA 0.522 5.566 4.340 1.173 0.000 0.290 312 L C -1.916 175.049 176.870 0.159 0.000 1.044 312 L CA -1.954 52.927 54.840 0.069 0.000 0.810 312 L CB 0.951 43.038 42.059 0.045 0.000 1.193 312 L HN 0.140 8.370 8.230 0.000 0.000 0.425 313 P HA 0.355 4.775 4.420 0.000 0.000 0.275 313 P C -1.526 175.867 177.300 0.155 0.000 1.228 313 P CA -0.029 63.100 63.100 0.048 0.000 0.786 313 P CB 0.617 32.318 31.700 0.003 0.000 0.927 314 Y N -1.694 118.643 120.300 0.062 0.000 2.677 314 Y HA 0.680 5.938 4.550 1.180 0.000 0.334 314 Y C -1.280 174.674 175.900 0.090 0.000 1.196 314 Y CA -1.231 56.930 58.100 0.102 0.000 1.059 314 Y CB 0.715 39.281 38.460 0.177 0.000 1.315 314 Y HN 0.323 8.603 8.280 0.000 0.000 0.455 315 S N 2.228 118.105 115.700 0.295 0.000 2.552 315 S HA 0.469 5.643 4.470 1.173 0.000 0.314 315 S C -1.099 173.630 174.600 0.215 0.000 1.099 315 S CA -0.847 57.450 58.200 0.161 0.000 1.070 315 S CB 0.905 64.138 63.200 0.056 0.000 0.998 315 S HN 0.909 9.219 8.310 0.000 0.000 0.474 316 R N 4.112 124.711 120.500 0.165 0.000 2.248 316 R HA 0.340 5.384 4.340 1.173 0.000 0.328 316 R C -0.616 175.562 176.300 -0.202 0.000 1.067 316 R CA -0.223 55.777 56.100 -0.166 0.000 0.924 316 R CB 0.312 30.544 30.300 -0.113 0.000 1.013 316 R HN 0.654 8.924 8.270 0.000 0.000 0.454 317 R N 3.865 124.196 120.500 -0.282 0.000 2.337 317 R HA 0.297 5.340 4.340 1.173 0.000 0.319 317 R C -0.825 175.351 176.300 -0.207 0.000 0.954 317 R CA -0.943 55.054 56.100 -0.172 0.000 0.840 317 R CB 1.330 31.577 30.300 -0.088 0.000 1.164 317 R HN 0.562 8.832 8.270 0.000 0.000 0.472 318 N N 3.759 122.349 118.700 -0.185 0.000 2.518 318 N HA 0.175 5.619 4.740 1.173 0.000 0.283 318 N C -0.364 175.076 175.510 -0.117 0.000 1.119 318 N CA -0.122 52.788 53.050 -0.233 0.000 0.983 318 N CB 1.028 39.401 38.487 -0.189 0.000 1.139 318 N HN 0.637 9.017 8.380 0.000 0.000 0.465 319 H N -1.676 117.314 119.070 -0.133 0.000 2.941 319 H HA 0.339 5.598 4.556 1.172 0.000 0.344 319 H C -0.578 174.714 175.328 -0.060 0.000 1.235 319 H CA -0.980 55.016 56.048 -0.087 0.000 1.149 319 H CB 1.462 31.171 29.762 -0.088 0.000 1.885 319 H HN 0.381 8.661 8.280 0.000 0.000 0.558 320 K N 0.231 120.700 120.400 0.115 0.000 2.402 320 K HA 0.271 5.295 4.320 1.173 0.000 0.285 320 K C 0.634 177.283 176.600 0.082 0.000 1.054 320 K CA 0.418 56.742 56.287 0.062 0.000 1.001 320 K CB -0.069 32.470 32.500 0.066 0.000 0.946 320 K HN 0.973 9.223 8.250 0.000 0.000 0.473 321 G N 1.954 110.775 108.800 0.034 0.000 2.198 321 G HA2 -0.170 4.494 3.960 1.173 0.000 0.260 321 G HA3 -0.170 4.494 3.960 1.173 0.000 0.260 321 G C 0.260 175.184 174.900 0.039 0.000 1.025 321 G CA -0.035 45.124 45.100 0.099 0.000 0.769 321 G HN 1.216 9.506 8.290 0.000 0.000 0.507 322 G N -2.665 105.887 108.800 -0.414 0.000 2.495 322 G HA2 0.709 5.373 3.960 1.173 0.000 0.294 322 G HA3 0.709 5.373 3.960 1.173 0.000 0.294 322 G C -1.492 172.657 174.900 -1.252 0.000 1.397 322 G CA 0.185 44.775 45.100 -0.849 0.000 0.790 322 G HN 1.216 9.506 8.290 0.000 0.000 0.486 323 V N 0.136 119.470 119.914 -0.966 0.000 2.686 323 V HA 0.653 5.476 4.120 1.173 0.000 0.306 323 V C -0.407 175.398 176.094 -0.482 0.000 1.065 323 V CA -0.714 61.142 62.300 -0.739 0.000 0.894 323 V CB 1.953 33.328 31.823 -0.747 0.000 1.004 323 V HN 0.864 9.054 8.190 0.000 0.000 0.424 324 T N 4.887 119.215 114.554 -0.376 0.000 2.758 324 T HA 0.614 5.668 4.350 1.173 0.000 0.285 324 T C -0.616 173.797 174.700 -0.478 0.000 0.981 324 T CA -0.090 61.836 62.100 -0.291 0.000 0.965 324 T CB 0.447 69.265 68.868 -0.083 0.000 0.927 324 T HN 0.299 8.539 8.240 0.000 0.000 0.448 325 F N 2.323 122.113 119.950 -0.266 0.000 2.390 325 F HA 0.387 5.618 4.527 1.173 0.000 0.361 325 F C 0.325 176.136 175.800 0.020 0.000 1.124 325 F CA -0.970 56.946 58.000 -0.139 0.000 1.149 325 F CB 0.754 39.592 39.000 -0.271 0.000 1.160 325 F HN 0.204 8.504 8.300 0.000 0.000 0.501 326 V N 5.973 126.006 119.914 0.199 0.000 2.334 326 V HA 0.222 5.045 4.120 1.173 0.000 0.267 326 V C 0.458 176.695 176.094 0.238 0.000 1.040 326 V CA -0.717 61.688 62.300 0.175 0.000 0.866 326 V CB 0.471 32.351 31.823 0.096 0.000 1.019 326 V HN 0.526 8.716 8.190 0.000 0.000 0.468 327 I N 5.278 125.988 120.570 0.232 0.000 2.598 327 I HA 0.119 4.993 4.170 1.173 0.000 0.284 327 I C 0.657 176.859 176.117 0.142 0.000 1.140 327 I CA 0.492 61.920 61.300 0.214 0.000 1.420 327 I CB 0.311 38.418 38.000 0.178 0.000 1.387 327 I HN 0.616 8.826 8.210 0.000 0.000 0.553 328 Q N 4.114 123.990 119.800 0.126 0.000 2.248 328 Q HA 0.637 5.681 4.340 1.173 0.000 0.263 328 Q C 0.387 176.419 176.000 0.053 0.000 1.007 328 Q CA -0.453 55.395 55.803 0.076 0.000 0.877 328 Q CB 2.132 30.903 28.738 0.055 0.000 1.315 328 Q HN 0.895 9.165 8.270 0.000 0.000 0.454 329 G N 0.486 109.308 108.800 0.037 0.000 2.741 329 G HA2 -0.082 4.582 3.960 1.173 0.000 0.222 329 G HA3 -0.082 4.582 3.960 1.173 0.000 0.222 329 G C -0.961 173.957 174.900 0.029 0.000 1.364 329 G CA -0.455 44.661 45.100 0.027 0.000 0.866 329 G HN 0.828 9.118 8.290 0.000 0.000 0.555 330 A N -0.517 122.316 122.820 0.023 0.000 2.260 330 A HA 0.773 5.797 4.320 1.173 0.000 0.314 330 A C 0.150 177.747 177.584 0.021 0.000 1.257 330 A CA -0.342 51.708 52.037 0.022 0.000 0.871 330 A CB 0.643 19.652 19.000 0.016 0.000 1.166 330 A HN 1.115 9.265 8.150 0.000 0.000 0.522 331 L N 2.128 123.365 121.223 0.024 0.000 2.334 331 L HA 0.407 5.451 4.340 1.173 0.000 0.275 331 L C -0.011 176.870 176.870 0.018 0.000 1.036 331 L CA -1.046 53.807 54.840 0.022 0.000 0.807 331 L CB 1.671 43.747 42.059 0.028 0.000 1.231 331 L HN 0.870 9.100 8.230 0.000 0.000 0.438 332 D N -0.605 119.804 120.400 0.015 0.000 2.398 332 D HA 0.004 5.348 4.640 1.173 0.000 0.247 332 D C 0.496 176.804 176.300 0.013 0.000 1.227 332 D CA -0.485 53.523 54.000 0.012 0.000 0.980 332 D CB 0.531 41.337 40.800 0.010 0.000 1.106 332 D HN 0.413 8.783 8.370 0.000 0.000 0.493 333 D N -0.148 120.258 120.400 0.011 0.000 2.170 333 D HA -0.166 5.178 4.640 1.173 0.000 0.193 333 D C 1.971 178.278 176.300 0.011 0.000 1.004 333 D CA 1.173 55.179 54.000 0.011 0.000 0.860 333 D CB -0.210 40.595 40.800 0.009 0.000 0.931 333 D HN 0.229 8.599 8.370 0.000 0.000 0.448 334 V N 0.807 120.727 119.914 0.010 0.000 2.535 334 V HA -0.138 4.685 4.120 1.173 0.000 0.246 334 V C 2.303 178.404 176.094 0.011 0.000 1.045 334 V CA 1.288 63.594 62.300 0.010 0.000 1.058 334 V CB -0.316 31.512 31.823 0.008 0.000 0.689 334 V HN 0.117 8.307 8.190 0.000 0.000 0.461 335 E N -0.053 120.154 120.200 0.012 0.000 2.106 335 E HA -0.170 4.884 4.350 1.173 0.000 0.192 335 E C 2.139 178.750 176.600 0.017 0.000 0.984 335 E CA 1.235 57.643 56.400 0.013 0.000 0.806 335 E CB -0.129 29.580 29.700 0.015 0.000 0.750 335 E HN 0.527 8.887 8.360 0.000 0.000 0.458 336 I N 0.450 121.031 120.570 0.019 0.000 2.252 336 I HA -0.250 4.624 4.170 1.173 0.000 0.245 336 I C 2.114 178.241 176.117 0.017 0.000 1.102 336 I CA 0.534 61.847 61.300 0.021 0.000 1.385 336 I CB 0.026 38.038 38.000 0.021 0.000 1.064 336 I HN 0.122 8.332 8.210 0.000 0.000 0.414 337 L N 0.495 121.727 121.223 0.015 0.000 2.046 337 L HA -0.164 4.880 4.340 1.173 0.000 0.208 337 L C 2.572 179.452 176.870 0.017 0.000 1.077 337 L CA 1.808 56.656 54.840 0.013 0.000 0.747 337 L CB -0.683 41.383 42.059 0.011 0.000 0.896 337 L HN 0.117 8.347 8.230 0.000 0.000 0.432 338 R N -1.216 119.296 120.500 0.019 0.000 2.092 338 R HA -0.087 4.957 4.340 1.173 0.000 0.231 338 R C 2.191 178.517 176.300 0.043 0.000 1.119 338 R CA 1.134 57.251 56.100 0.027 0.000 0.970 338 R CB -0.542 29.769 30.300 0.018 0.000 0.864 338 R HN 0.406 8.676 8.270 0.000 0.000 0.440 339 A N 1.373 124.212 122.820 0.031 0.000 1.902 339 A HA -0.165 4.859 4.320 1.173 0.000 0.217 339 A C 2.093 179.687 177.584 0.016 0.000 1.181 339 A CA 1.172 53.230 52.037 0.035 0.000 0.623 339 A CB -0.325 18.690 19.000 0.026 0.000 0.818 339 A HN 0.208 8.358 8.150 0.000 0.000 0.443 340 R N -0.699 119.804 120.500 0.004 0.000 2.092 340 R HA -0.113 4.931 4.340 1.173 0.000 0.231 340 R C 2.479 178.766 176.300 -0.022 0.000 1.119 340 R CA 1.421 57.510 56.100 -0.018 0.000 0.970 340 R CB -0.320 29.975 30.300 -0.008 0.000 0.864 340 R HN 0.687 8.957 8.270 0.000 0.000 0.440 341 Q N -0.131 119.675 119.800 0.010 0.000 2.030 341 Q HA -0.221 4.823 4.340 1.173 0.000 0.204 341 Q C 1.932 177.949 176.000 0.027 0.000 0.986 341 Q CA 1.939 57.755 55.803 0.022 0.000 0.843 341 Q CB -0.274 28.490 28.738 0.043 0.000 0.904 341 Q HN 0.319 8.589 8.270 0.000 0.000 0.420 342 F N 0.777 120.682 119.950 -0.075 0.000 2.102 342 F HA -0.232 5.013 4.527 1.197 0.000 0.298 342 F C 2.025 177.747 175.800 -0.131 0.000 1.105 342 F CA 1.128 59.072 58.000 -0.092 0.000 1.239 342 F CB -0.133 38.783 39.000 -0.140 0.000 0.991 342 F HN -0.186 8.114 8.300 0.000 0.000 0.474 343 V N 0.889 120.532 119.914 -0.453 0.000 2.287 343 V HA -0.331 4.493 4.120 1.173 0.000 0.248 343 V C 2.034 177.992 176.094 -0.227 0.000 1.053 343 V CA 2.290 64.226 62.300 -0.605 0.000 1.027 343 V CB -0.823 30.723 31.823 -0.462 0.000 0.646 343 V HN 0.313 8.503 8.190 0.000 0.000 0.447 344 D N -0.173 120.157 120.400 -0.116 0.000 2.104 344 D HA -0.174 5.170 4.640 1.173 0.000 0.194 344 D C 2.415 178.733 176.300 0.029 0.000 0.994 344 D CA 1.868 55.861 54.000 -0.011 0.000 0.830 344 D CB -0.449 40.340 40.800 -0.018 0.000 0.959 344 D HN 0.429 8.799 8.370 0.000 0.000 0.452 345 S N -1.033 114.634 115.700 -0.054 0.000 2.356 345 S HA -0.228 4.946 4.470 1.173 0.000 0.223 345 S C 2.074 176.641 174.600 -0.055 0.000 1.032 345 S CA 0.893 59.068 58.200 -0.042 0.000 1.005 345 S CB -0.600 62.582 63.200 -0.030 0.000 0.867 345 S HN 0.349 8.659 8.310 0.000 0.000 0.449 346 Y N 0.628 120.724 120.300 -0.340 0.000 2.128 346 Y HA -0.238 5.062 4.550 1.249 0.000 0.284 346 Y C 2.194 178.177 175.900 0.138 0.000 1.154 346 Y CA 2.293 60.284 58.100 -0.182 0.000 1.149 346 Y CB -0.886 37.252 38.460 -0.537 0.000 0.976 346 Y HN 0.489 8.769 8.280 0.000 0.000 0.505 347 Y N 0.951 121.356 120.300 0.174 0.000 2.207 347 Y HA -0.270 5.025 4.550 1.242 0.000 0.287 347 Y C 2.431 178.364 175.900 0.055 0.000 1.156 347 Y CA 1.962 60.169 58.100 0.178 0.000 1.182 347 Y CB -0.320 38.235 38.460 0.158 0.000 0.979 347 Y HN 0.050 8.330 8.280 0.000 0.000 0.521 348 R N -1.037 119.520 120.500 0.096 0.000 2.120 348 R HA -0.114 4.930 4.340 1.173 0.000 0.234 348 R C 2.042 178.270 176.300 -0.119 0.000 1.123 348 R CA 1.752 57.849 56.100 -0.004 0.000 0.975 348 R CB -0.402 29.922 30.300 0.040 0.000 0.866 348 R HN 0.315 8.585 8.270 0.000 0.000 0.446 349 T N -1.031 113.410 114.554 -0.188 0.000 2.852 349 T HA -0.084 4.970 4.350 1.173 0.000 0.256 349 T C 1.008 175.430 174.700 -0.463 0.000 1.038 349 T CA 1.010 62.886 62.100 -0.373 0.000 1.141 349 T CB -0.071 68.516 68.868 -0.469 0.000 0.869 349 T HN 0.411 8.651 8.240 0.000 0.000 0.439 350 W N 0.973 122.104 121.300 -0.282 0.000 3.058 350 W HA 0.489 5.942 4.660 1.323 0.000 0.306 350 W C 1.354 177.836 176.519 -0.062 0.000 1.188 350 W CA 0.091 57.352 57.345 -0.139 0.000 1.651 350 W CB 0.136 29.396 29.460 -0.333 0.000 1.051 350 W HN 0.530 8.710 8.180 0.000 0.000 0.592 351 G N 0.678 109.359 108.800 -0.199 0.000 2.796 351 G HA2 -0.100 4.564 3.960 1.173 0.000 0.226 351 G HA3 -0.100 4.564 3.960 1.173 0.000 0.226 351 G C 0.484 175.379 174.900 -0.007 0.000 1.381 351 G CA -0.346 44.481 45.100 -0.455 0.000 0.867 351 G HN 0.482 8.772 8.290 0.000 0.000 0.552 352 G N -0.993 107.930 108.800 0.205 0.000 3.805 352 G HA2 0.436 5.100 3.960 1.173 0.000 0.290 352 G HA3 0.436 5.100 3.960 1.173 0.000 0.290 352 G C 1.095 176.146 174.900 0.253 0.000 1.077 352 G CA 0.560 45.913 45.100 0.421 0.000 0.852 352 G HN 0.638 8.928 8.290 0.000 0.000 0.531 353 R N -1.086 119.516 120.500 0.169 0.000 2.246 353 R HA 0.146 5.190 4.340 1.173 0.000 0.199 353 R C 1.166 177.541 176.300 0.124 0.000 0.984 353 R CA 0.435 56.567 56.100 0.055 0.000 1.015 353 R CB 0.192 30.384 30.300 -0.179 0.000 0.930 353 R HN 0.470 8.740 8.270 0.000 0.000 0.475 354 Y N -0.286 120.047 120.300 0.056 0.000 2.886 354 Y HA 0.249 5.498 4.550 1.165 0.000 0.244 354 Y C 0.244 176.167 175.900 0.039 0.000 1.017 354 Y CA -0.048 58.070 58.100 0.031 0.000 1.389 354 Y CB 0.648 39.157 38.460 0.080 0.000 1.477 354 Y HN -0.383 7.897 8.280 0.000 0.000 0.466 355 V N 4.112 124.044 119.914 0.031 0.000 2.427 355 V HA 0.365 5.188 4.120 1.173 0.000 0.286 355 V C -0.719 175.285 176.094 -0.149 0.000 1.034 355 V CA -0.473 61.723 62.300 -0.174 0.000 0.893 355 V CB 1.227 32.977 31.823 -0.123 0.000 0.982 355 V HN 0.263 8.453 8.190 0.000 0.000 0.452 356 Q N 3.303 122.930 119.800 -0.289 0.000 2.433 356 Q HA 0.650 5.693 4.340 1.173 0.000 0.279 356 Q C -1.741 174.018 176.000 -0.401 0.000 1.105 356 Q CA -0.606 55.089 55.803 -0.181 0.000 0.815 356 Q CB 3.170 31.911 28.738 0.005 0.000 1.403 356 Q HN 0.602 8.872 8.270 0.000 0.000 0.435 357 F N 0.034 120.043 119.950 0.097 0.000 2.563 357 F HA 0.828 6.050 4.527 1.159 0.000 0.316 357 F C -0.057 175.788 175.800 0.076 0.000 1.076 357 F CA -0.735 57.325 58.000 0.099 0.000 0.921 357 F CB 2.150 41.189 39.000 0.065 0.000 1.209 357 F HN 0.614 8.914 8.300 0.000 0.000 0.462 358 A N 2.016 124.991 122.820 0.258 0.000 2.609 358 A HA 0.866 5.890 4.320 1.173 0.000 0.291 358 A C -1.655 176.018 177.584 0.149 0.000 1.096 358 A CA -0.664 51.468 52.037 0.159 0.000 0.684 358 A CB 1.388 20.445 19.000 0.095 0.000 1.282 358 A HN 0.679 8.829 8.150 0.000 0.000 0.412 359 I N 1.547 122.180 120.570 0.106 0.000 2.378 359 I HA 0.283 5.157 4.170 1.173 0.000 0.291 359 I C 0.486 176.644 176.117 0.068 0.000 0.992 359 I CA -0.480 60.874 61.300 0.090 0.000 1.154 359 I CB 1.880 39.923 38.000 0.073 0.000 1.315 359 I HN 0.937 9.147 8.210 0.000 0.000 0.448 360 E N 7.239 127.478 120.200 0.066 0.000 2.415 360 E HA 0.310 5.364 4.350 1.173 0.000 0.262 360 E C -1.412 175.209 176.600 0.035 0.000 1.038 360 E CA -0.304 56.125 56.400 0.047 0.000 0.921 360 E CB 1.076 30.803 29.700 0.045 0.000 0.950 360 E HN 0.487 8.847 8.360 0.000 0.000 0.438 361 L N 2.712 123.951 121.223 0.026 0.000 2.333 361 L HA 0.461 5.504 4.340 1.173 0.000 0.280 361 L C 0.225 177.104 176.870 0.015 0.000 1.004 361 L CA -0.701 54.151 54.840 0.020 0.000 0.820 361 L CB 1.473 43.542 42.059 0.017 0.000 1.247 361 L HN 0.595 8.825 8.230 0.000 0.000 0.416 362 K N 0.000 120.408 120.400 0.014 0.000 2.780 362 K HA 0.000 5.024 4.320 1.173 0.000 0.191 362 K CA 0.000 56.293 56.287 0.010 0.000 0.838 362 K CB 0.000 32.506 32.500 0.011 0.000 1.064 362 K HN 0.000 8.250 8.250 0.000 0.000 0.543