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 3a77_1_B DATA FIRST_RESID 189 DATA SEQUENCE ENPLKRLLVP GEEWEFEVTA FYRGRQVFQQ TISCPEGLRL VGSEXXXXTL DATA SEQUENCE PGWPVTLPDP GMSLTDRGVM SYVRHVLScL GGGLALWRAG QWLWAQRLGH DATA SEQUENCE cHTYWAVSEE LLPNSGHGPD GEVPKDKEGG VFDLGPFIVD LITFTEGSGR DATA SEQUENCE SPRYALWFCV GESWPQDQPW TKRLVMVKVV PTCLRALVEM ARVGGASXLE DATA SEQUENCE NTVDLHISNS HPLXLTSDQY KAYLQDLVEG MDFQGPGE 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 189 E HA 0.000 4.350 4.350 0.000 0.000 0.291 189 E C 0.000 176.574 176.600 -0.044 0.000 1.382 189 E CA 0.000 56.410 56.400 0.016 0.000 0.976 189 E CB 0.000 29.698 29.700 -0.004 0.000 0.812 190 N N 3.494 122.151 118.700 -0.072 0.000 2.402 190 N HA 0.236 4.973 4.740 -0.005 0.000 0.252 190 N C -1.040 174.279 175.510 -0.318 0.000 1.118 190 N CA -1.562 51.330 53.050 -0.264 0.000 0.945 190 N CB 1.134 39.589 38.487 -0.053 0.000 1.147 190 N HN 0.388 8.768 8.380 0.000 0.000 0.495 191 P HA -0.178 4.242 4.420 0.000 0.000 0.218 191 P C 1.140 178.328 177.300 -0.187 0.000 1.148 191 P CA 1.102 64.028 63.100 -0.289 0.000 0.822 191 P CB 0.264 31.782 31.700 -0.305 0.000 0.784 192 L N -0.555 120.545 121.223 -0.206 0.000 2.275 192 L HA -0.043 4.294 4.340 -0.005 0.000 0.215 192 L C 2.511 179.375 176.870 -0.011 0.000 1.119 192 L CA 1.137 55.939 54.840 -0.063 0.000 0.790 192 L CB -0.793 41.263 42.059 -0.004 0.000 0.919 192 L HN -0.039 8.191 8.230 0.000 0.000 0.443 193 K N 0.234 120.620 120.400 -0.023 0.000 2.442 193 K HA -0.100 4.217 4.320 -0.005 0.000 0.198 193 K C 2.048 178.674 176.600 0.045 0.000 1.042 193 K CA 0.621 56.925 56.287 0.028 0.000 0.958 193 K CB -0.003 32.510 32.500 0.022 0.000 0.766 193 K HN 0.317 8.567 8.250 0.000 0.000 0.474 194 R N 0.508 121.019 120.500 0.020 0.000 2.193 194 R HA -0.052 4.285 4.340 -0.005 0.000 0.229 194 R C 2.058 178.421 176.300 0.104 0.000 1.110 194 R CA 0.668 56.791 56.100 0.039 0.000 0.988 194 R CB -0.244 30.057 30.300 0.001 0.000 0.871 194 R HN 0.180 8.450 8.270 0.000 0.000 0.458 195 L N 0.106 121.404 121.223 0.124 0.000 2.127 195 L HA -0.213 4.124 4.340 -0.005 0.000 0.211 195 L C 1.682 178.808 176.870 0.426 0.000 1.089 195 L CA 0.844 55.850 54.840 0.277 0.000 0.757 195 L CB -0.201 41.969 42.059 0.184 0.000 0.899 195 L HN 0.161 8.391 8.230 0.000 0.000 0.434 196 L N -0.898 120.466 121.223 0.235 0.000 2.375 196 L HA 0.072 4.409 4.340 -0.005 0.000 0.215 196 L C 1.096 178.031 176.870 0.107 0.000 1.108 196 L CA 0.535 55.475 54.840 0.167 0.000 0.830 196 L CB -0.587 41.547 42.059 0.126 0.000 0.959 196 L HN 0.036 8.266 8.230 0.000 0.000 0.457 197 V N -0.799 119.176 119.914 0.101 0.000 2.694 197 V HA 0.077 4.194 4.120 -0.005 0.000 0.306 197 V C -0.766 175.366 176.094 0.064 0.000 1.054 197 V CA -0.982 61.360 62.300 0.071 0.000 1.161 197 V CB -0.004 31.854 31.823 0.060 0.000 0.916 197 V HN 0.157 8.347 8.190 0.000 0.000 0.490 198 P HA -0.094 4.326 4.420 0.000 0.000 0.216 198 P C 1.423 178.749 177.300 0.045 0.000 1.150 198 P CA 2.130 65.256 63.100 0.042 0.000 0.843 198 P CB -0.082 31.643 31.700 0.041 0.000 0.787 199 G N -0.318 108.510 108.800 0.046 0.000 2.744 199 G HA2 -0.086 3.871 3.960 -0.005 0.000 0.211 199 G HA3 -0.086 3.871 3.960 -0.005 0.000 0.211 199 G C 0.702 175.636 174.900 0.057 0.000 1.143 199 G CA 0.044 45.171 45.100 0.046 0.000 0.788 199 G HN 0.208 8.498 8.290 0.000 0.000 0.534 200 E N 1.625 121.871 120.200 0.077 0.000 2.052 200 E HA 0.166 4.513 4.350 -0.005 0.000 0.283 200 E C -0.310 176.385 176.600 0.159 0.000 1.071 200 E CA -0.028 56.440 56.400 0.112 0.000 0.851 200 E CB 0.803 30.592 29.700 0.148 0.000 1.066 200 E HN 0.482 8.842 8.360 0.000 0.000 0.396 201 E N 2.739 123.020 120.200 0.135 0.000 2.223 201 E HA 0.071 4.418 4.350 -0.005 0.000 0.282 201 E C -0.473 176.265 176.600 0.230 0.000 1.046 201 E CA -0.386 56.108 56.400 0.157 0.000 0.857 201 E CB 0.665 30.427 29.700 0.104 0.000 1.055 201 E HN 0.220 8.580 8.360 0.000 0.000 0.409 202 W N 2.484 123.720 121.300 -0.106 0.000 2.272 202 W HA 0.113 4.771 4.660 -0.003 0.000 0.318 202 W C 0.753 176.987 176.519 -0.474 0.000 1.255 202 W CA -0.715 56.422 57.345 -0.346 0.000 1.200 202 W CB 0.290 29.402 29.460 -0.580 0.000 1.170 202 W HN 0.494 8.674 8.180 0.000 0.000 0.549 203 E N 2.693 122.747 120.200 -0.244 0.000 2.313 203 E HA 0.322 4.669 4.350 -0.005 0.000 0.276 203 E C -1.461 174.896 176.600 -0.405 0.000 1.031 203 E CA -0.240 56.029 56.400 -0.218 0.000 0.857 203 E CB 0.450 30.057 29.700 -0.155 0.000 1.040 203 E HN 0.215 8.575 8.360 0.000 0.000 0.408 204 F N 2.543 122.485 119.950 -0.013 0.000 2.493 204 F HA 0.229 4.753 4.527 -0.005 0.000 0.329 204 F C 0.213 175.983 175.800 -0.051 0.000 1.126 204 F CA -0.856 57.137 58.000 -0.011 0.000 0.937 204 F CB 1.801 40.826 39.000 0.041 0.000 1.146 204 F HN 0.456 8.756 8.300 0.000 0.000 0.442 205 E N 3.457 123.717 120.200 0.100 0.000 2.146 205 E HA 0.489 4.836 4.350 -0.005 0.000 0.282 205 E C -1.543 175.091 176.600 0.058 0.000 0.989 205 E CA -0.448 55.964 56.400 0.020 0.000 0.799 205 E CB 1.271 30.943 29.700 -0.048 0.000 1.088 205 E HN 0.448 8.808 8.360 0.000 0.000 0.397 206 V N 4.529 124.479 119.914 0.058 0.000 2.370 206 V HA 0.335 4.452 4.120 -0.005 0.000 0.283 206 V C -0.264 175.872 176.094 0.069 0.000 1.023 206 V CA -0.543 61.818 62.300 0.101 0.000 0.857 206 V CB 1.687 33.623 31.823 0.188 0.000 0.985 206 V HN 0.716 8.906 8.190 0.000 0.000 0.443 207 T N 4.205 118.793 114.554 0.057 0.000 2.840 207 T HA 0.729 5.076 4.350 -0.005 0.000 0.287 207 T C -0.109 174.605 174.700 0.023 0.000 0.991 207 T CA -0.333 61.750 62.100 -0.029 0.000 0.964 207 T CB 1.694 70.531 68.868 -0.051 0.000 0.954 207 T HN 0.874 9.114 8.240 0.000 0.000 0.438 208 A N 3.028 125.807 122.820 -0.068 0.000 2.324 208 A HA 0.914 5.231 4.320 -0.005 0.000 0.330 208 A C -1.193 176.192 177.584 -0.331 0.000 1.165 208 A CA -0.611 51.429 52.037 0.005 0.000 0.813 208 A CB 0.500 19.514 19.000 0.024 0.000 1.197 208 A HN 0.694 8.844 8.150 0.000 0.000 0.484 209 F N 0.748 120.759 119.950 0.102 0.000 2.547 209 F HA 0.503 5.027 4.527 -0.005 0.000 0.316 209 F C -1.086 174.852 175.800 0.231 0.000 1.121 209 F CA -0.525 57.535 58.000 0.101 0.000 0.911 209 F CB 1.783 40.904 39.000 0.203 0.000 1.179 209 F HN 0.420 8.720 8.300 0.000 0.000 0.443 210 Y N 1.851 122.312 120.300 0.268 0.000 2.356 210 Y HA 0.430 4.977 4.550 -0.005 0.000 0.334 210 Y C 0.755 176.752 175.900 0.161 0.000 0.958 210 Y CA -2.060 56.155 58.100 0.192 0.000 1.196 210 Y CB 1.231 39.775 38.460 0.139 0.000 1.137 210 Y HN 0.677 8.957 8.280 0.000 0.000 0.485 211 R N 2.051 122.721 120.500 0.283 0.000 3.333 211 R HA -0.243 4.094 4.340 -0.005 0.000 0.256 211 R C 1.043 177.422 176.300 0.132 0.000 1.010 211 R CA 1.131 57.316 56.100 0.142 0.000 0.680 211 R CB -1.346 29.014 30.300 0.100 0.000 1.102 211 R HN 1.219 9.489 8.270 0.000 0.000 0.440 212 G N -0.318 108.582 108.800 0.167 0.000 2.267 212 G HA2 -0.428 3.529 3.960 -0.005 0.000 0.257 212 G HA3 -0.428 3.529 3.960 -0.005 0.000 0.257 212 G C 0.113 175.204 174.900 0.317 0.000 0.998 212 G CA 0.570 45.757 45.100 0.146 0.000 0.620 212 G HN 0.640 8.930 8.290 0.000 0.000 0.529 213 R N 1.155 121.832 120.500 0.295 0.000 2.254 213 R HA 0.535 4.872 4.340 -0.005 0.000 0.318 213 R C 0.488 176.886 176.300 0.164 0.000 1.031 213 R CA -0.345 55.895 56.100 0.233 0.000 0.905 213 R CB 0.471 30.859 30.300 0.146 0.000 1.050 213 R HN 0.380 8.650 8.270 0.000 0.000 0.456 214 Q N 3.636 123.459 119.800 0.039 0.000 2.271 214 Q HA 0.095 4.432 4.340 -0.005 0.000 0.273 214 Q C 0.205 176.048 176.000 -0.262 0.000 1.051 214 Q CA -0.117 55.445 55.803 -0.402 0.000 0.901 214 Q CB 1.013 29.516 28.738 -0.391 0.000 1.174 214 Q HN 0.702 8.972 8.270 0.000 0.000 0.385 215 V N 2.015 121.723 119.914 -0.344 0.000 3.432 215 V HA 0.493 4.610 4.120 -0.005 0.000 0.298 215 V C -0.358 175.678 176.094 -0.096 0.000 1.464 215 V CA -0.309 61.846 62.300 -0.241 0.000 1.046 215 V CB -0.082 31.470 31.823 -0.452 0.000 0.887 215 V HN 0.631 8.821 8.190 0.000 0.000 0.441 216 F N 0.687 120.439 119.950 -0.330 0.000 2.690 216 F HA 0.685 5.209 4.527 -0.005 0.000 0.311 216 F C -1.357 174.317 175.800 -0.211 0.000 1.111 216 F CA -0.375 57.493 58.000 -0.220 0.000 1.003 216 F CB 1.700 40.590 39.000 -0.182 0.000 1.283 216 F HN 0.100 8.400 8.300 0.000 0.000 0.442 217 Q N 4.913 124.096 119.800 -1.028 0.000 2.327 217 Q HA 0.422 4.759 4.340 -0.005 0.000 0.265 217 Q C -2.163 173.353 176.000 -0.807 0.000 0.993 217 Q CA -0.584 54.806 55.803 -0.688 0.000 0.885 217 Q CB 2.293 30.813 28.738 -0.363 0.000 1.379 217 Q HN 0.841 9.111 8.270 0.000 0.000 0.408 218 Q N 1.755 121.264 119.800 -0.485 0.000 2.353 218 Q HA 0.490 4.827 4.340 -0.005 0.000 0.275 218 Q C -1.654 174.283 176.000 -0.105 0.000 1.029 218 Q CA -0.465 55.170 55.803 -0.280 0.000 0.848 218 Q CB 2.598 31.230 28.738 -0.175 0.000 1.390 218 Q HN 0.603 8.873 8.270 0.000 0.000 0.401 219 T N 3.978 118.469 114.554 -0.105 0.000 2.795 219 T HA 0.593 4.940 4.350 -0.005 0.000 0.282 219 T C -0.609 174.025 174.700 -0.110 0.000 0.980 219 T CA -0.382 61.669 62.100 -0.083 0.000 1.012 219 T CB 0.466 69.270 68.868 -0.107 0.000 0.936 219 T HN 0.357 8.597 8.240 0.000 0.000 0.457 220 I N 2.287 122.814 120.570 -0.071 0.000 2.647 220 I HA 0.457 4.624 4.170 -0.005 0.000 0.295 220 I C -0.150 175.930 176.117 -0.063 0.000 1.078 220 I CA -0.739 60.449 61.300 -0.187 0.000 1.048 220 I CB 2.213 40.095 38.000 -0.196 0.000 1.239 220 I HN 0.514 8.724 8.210 0.000 0.000 0.421 221 S N 3.919 119.508 115.700 -0.185 0.000 2.605 221 S HA 0.613 5.080 4.470 -0.005 0.000 0.308 221 S C -0.989 173.579 174.600 -0.053 0.000 1.113 221 S CA -0.520 57.658 58.200 -0.037 0.000 1.049 221 S CB 1.872 65.037 63.200 -0.058 0.000 1.001 221 S HN 0.743 9.053 8.310 0.000 0.000 0.480 222 C N 5.970 125.337 119.300 0.113 0.000 2.931 222 C HA 0.538 4.995 4.460 -0.005 0.000 0.370 222 C C -1.847 173.253 174.990 0.184 0.000 1.071 222 C CA -1.701 57.416 59.018 0.165 0.000 1.266 222 C CB 1.368 29.271 27.740 0.273 0.000 1.691 222 C HN 0.669 8.899 8.230 0.000 0.000 0.511 223 P HA -0.082 4.338 4.420 0.000 0.000 0.219 223 P C 0.488 177.856 177.300 0.113 0.000 1.146 223 P CA 1.699 64.870 63.100 0.118 0.000 0.808 223 P CB 0.332 32.082 31.700 0.084 0.000 0.779 224 E N -0.516 119.746 120.200 0.104 0.000 2.419 224 E HA 0.343 4.690 4.350 -0.005 0.000 0.190 224 E C 1.196 177.857 176.600 0.102 0.000 1.040 224 E CA 0.346 56.771 56.400 0.041 0.000 0.900 224 E CB -0.252 29.433 29.700 -0.026 0.000 1.054 224 E HN 0.241 8.601 8.360 0.000 0.000 0.462 225 G N 0.552 109.465 108.800 0.189 0.000 2.539 225 G HA2 -0.212 3.745 3.960 -0.005 0.000 0.256 225 G HA3 -0.212 3.745 3.960 -0.005 0.000 0.256 225 G C -0.537 174.445 174.900 0.136 0.000 1.233 225 G CA -0.111 45.093 45.100 0.174 0.000 0.936 225 G HN 0.349 8.639 8.290 0.000 0.000 0.571 226 L N -3.091 118.166 121.223 0.057 0.000 2.341 226 L HA 1.020 5.357 4.340 -0.005 0.000 0.254 226 L C -0.094 176.797 176.870 0.034 0.000 1.040 226 L CA -1.312 53.579 54.840 0.085 0.000 0.837 226 L CB 1.972 44.058 42.059 0.045 0.000 1.425 226 L HN 0.822 9.052 8.230 0.000 0.000 0.414 227 R N 1.087 121.610 120.500 0.037 0.000 2.514 227 R HA 0.643 4.980 4.340 -0.005 0.000 0.296 227 R C -1.545 174.741 176.300 -0.025 0.000 1.012 227 R CA -0.651 55.438 56.100 -0.018 0.000 0.897 227 R CB 1.918 32.199 30.300 -0.032 0.000 1.184 227 R HN 0.629 8.899 8.270 0.000 0.000 0.440 228 L N 4.808 125.993 121.223 -0.063 0.000 2.315 228 L HA 0.379 4.716 4.340 -0.005 0.000 0.283 228 L C 0.381 177.220 176.870 -0.053 0.000 1.089 228 L CA -0.531 54.276 54.840 -0.054 0.000 0.833 228 L CB 0.668 42.688 42.059 -0.066 0.000 1.170 228 L HN 0.369 8.599 8.230 0.000 0.000 0.442 229 V N -0.238 119.642 119.914 -0.055 0.000 3.155 229 V HA 0.799 4.916 4.120 -0.005 0.000 0.313 229 V C 0.502 176.565 176.094 -0.051 0.000 1.162 229 V CA -0.299 61.970 62.300 -0.052 0.000 1.048 229 V CB 1.658 33.448 31.823 -0.056 0.000 1.092 229 V HN 0.633 8.823 8.190 0.000 0.000 0.447 230 G N -1.110 107.668 108.800 -0.036 0.000 3.159 230 G HA2 0.326 4.283 3.960 -0.005 0.000 0.232 230 G HA3 0.326 4.283 3.960 -0.005 0.000 0.232 230 G C 0.404 175.286 174.900 -0.030 0.000 1.116 230 G CA 0.466 45.550 45.100 -0.027 0.000 0.767 230 G HN 1.349 9.639 8.290 0.000 0.000 0.547 231 S N 0.430 116.108 115.700 -0.037 0.000 3.625 231 S HA -0.136 4.331 4.470 -0.005 0.000 0.426 231 S C 0.167 174.753 174.600 -0.024 0.000 0.884 231 S CA 0.825 59.003 58.200 -0.035 0.000 1.322 231 S CB -0.960 62.218 63.200 -0.037 0.000 0.905 231 S HN 0.726 9.036 8.310 0.000 0.000 0.586 238 L N 3.479 124.645 121.223 -0.094 0.000 2.342 238 L HA 0.681 5.018 4.340 -0.005 0.000 0.271 238 L C -1.944 174.860 176.870 -0.111 0.000 1.008 238 L CA -2.175 52.602 54.840 -0.105 0.000 0.818 238 L CB 1.624 43.621 42.059 -0.105 0.000 1.296 238 L HN 0.104 8.334 8.230 0.000 0.000 0.427 239 P HA 0.354 4.774 4.420 0.000 0.000 0.274 239 P C -0.265 176.975 177.300 -0.100 0.000 1.237 239 P CA 0.075 63.103 63.100 -0.119 0.000 0.793 239 P CB 1.104 32.707 31.700 -0.161 0.000 0.977 240 G N 0.260 109.035 108.800 -0.041 0.000 2.907 240 G HA2 -0.119 3.838 3.960 -0.005 0.000 0.686 240 G HA3 -0.119 3.838 3.960 -0.005 0.000 0.686 240 G C -1.058 173.888 174.900 0.077 0.000 1.115 240 G CA -0.847 44.272 45.100 0.031 0.000 0.760 240 G HN 0.606 8.896 8.290 0.000 0.000 0.620 241 W N 4.694 125.990 121.300 -0.006 0.000 2.368 241 W HA 0.420 5.076 4.660 -0.006 0.000 0.316 241 W C -1.824 174.694 176.519 -0.002 0.000 1.375 241 W CA -1.426 55.925 57.345 0.009 0.000 1.261 241 W CB 1.022 30.506 29.460 0.040 0.000 1.298 241 W HN 0.539 8.719 8.180 0.000 0.000 0.539 242 P HA 0.071 4.491 4.420 0.000 0.000 0.276 242 P C -0.853 176.507 177.300 0.100 0.000 1.253 242 P CA 0.109 63.182 63.100 -0.045 0.000 0.766 242 P CB 1.448 33.055 31.700 -0.154 0.000 0.845 243 V N 4.599 124.581 119.914 0.113 0.000 2.313 243 V HA 0.197 4.314 4.120 -0.005 0.000 0.278 243 V C 0.586 176.632 176.094 -0.079 0.000 1.017 243 V CA -0.230 62.144 62.300 0.123 0.000 0.823 243 V CB 1.223 33.148 31.823 0.170 0.000 1.010 243 V HN 0.474 8.664 8.190 0.000 0.000 0.443 244 T N 6.912 121.378 114.554 -0.148 0.000 2.729 244 T HA 0.466 4.813 4.350 -0.005 0.000 0.296 244 T C 0.144 174.553 174.700 -0.485 0.000 0.928 244 T CA -0.190 61.775 62.100 -0.225 0.000 1.045 244 T CB 0.289 69.088 68.868 -0.115 0.000 0.902 244 T HN 0.343 8.583 8.240 0.000 0.000 0.500 245 L N 6.649 127.669 121.223 -0.339 0.000 2.416 245 L HA 0.312 4.649 4.340 -0.005 0.000 0.272 245 L C -1.470 175.321 176.870 -0.132 0.000 1.161 245 L CA -1.909 52.744 54.840 -0.312 0.000 0.845 245 L CB 0.139 42.181 42.059 -0.029 0.000 1.119 245 L HN 0.365 8.595 8.230 0.000 0.000 0.464 246 P HA 0.048 4.468 4.420 0.000 0.000 0.274 246 P C -1.018 176.395 177.300 0.188 0.000 1.237 246 P CA -0.485 62.653 63.100 0.063 0.000 0.793 246 P CB 0.861 32.609 31.700 0.080 0.000 0.977 247 D N 1.969 122.442 120.400 0.121 0.000 2.424 247 D HA 0.039 4.676 4.640 -0.005 0.000 0.244 247 D C -1.018 175.384 176.300 0.170 0.000 1.134 247 D CA -1.614 52.446 54.000 0.101 0.000 0.881 247 D CB 0.523 41.354 40.800 0.052 0.000 1.191 247 D HN 0.198 8.568 8.370 0.000 0.000 0.445 248 P HA -0.035 4.385 4.420 0.000 0.000 0.226 248 P C 1.248 178.618 177.300 0.118 0.000 1.153 248 P CA 0.555 63.758 63.100 0.171 0.000 0.777 248 P CB 0.127 31.802 31.700 -0.041 0.000 0.794 249 G N 0.202 109.043 108.800 0.069 0.000 2.498 249 G HA2 -0.185 3.772 3.960 -0.005 0.000 0.219 249 G HA3 -0.185 3.772 3.960 -0.005 0.000 0.219 249 G C 1.385 176.323 174.900 0.063 0.000 1.119 249 G CA 0.408 45.539 45.100 0.051 0.000 0.766 249 G HN 0.148 8.438 8.290 0.000 0.000 0.552 250 M N 1.094 120.744 119.600 0.083 0.000 2.595 250 M HA 0.108 4.585 4.480 -0.005 0.000 0.248 250 M C 1.966 178.313 176.300 0.078 0.000 1.119 250 M CA 1.190 56.534 55.300 0.074 0.000 1.079 250 M CB -0.066 32.580 32.600 0.078 0.000 1.472 250 M HN 0.407 8.697 8.290 0.000 0.000 0.501 251 S N -2.036 113.725 115.700 0.102 0.000 2.560 251 S HA 0.313 4.780 4.470 -0.005 0.000 0.281 251 S C 0.365 175.027 174.600 0.104 0.000 1.075 251 S CA -0.552 57.706 58.200 0.097 0.000 1.295 251 S CB 0.549 63.810 63.200 0.103 0.000 1.156 251 S HN 0.269 8.579 8.310 0.000 0.000 0.627 252 L N 0.973 122.266 121.223 0.116 0.000 2.332 252 L HA 0.641 4.978 4.340 -0.005 0.000 0.269 252 L C 0.771 177.679 176.870 0.063 0.000 1.016 252 L CA -0.579 54.320 54.840 0.098 0.000 0.809 252 L CB 1.726 43.853 42.059 0.112 0.000 1.280 252 L HN 0.069 8.299 8.230 0.000 0.000 0.447 253 T N -2.696 111.889 114.554 0.052 0.000 2.980 253 T HA 0.010 4.357 4.350 -0.005 0.000 0.252 253 T C 0.115 174.833 174.700 0.030 0.000 0.962 253 T CA -0.146 61.976 62.100 0.037 0.000 0.932 253 T CB 0.213 69.100 68.868 0.033 0.000 1.188 253 T HN 0.543 8.783 8.240 0.000 0.000 0.500 254 D N 2.416 122.837 120.400 0.034 0.000 2.363 254 D HA 0.024 4.661 4.640 -0.005 0.000 0.263 254 D C 1.299 177.613 176.300 0.023 0.000 1.258 254 D CA 0.021 54.037 54.000 0.027 0.000 0.907 254 D CB 0.816 41.633 40.800 0.029 0.000 1.107 254 D HN 0.199 8.569 8.370 0.000 0.000 0.495 255 R N 3.060 123.570 120.500 0.017 0.000 2.081 255 R HA -0.122 4.215 4.340 -0.005 0.000 0.235 255 R C 1.936 178.246 176.300 0.017 0.000 1.131 255 R CA 1.841 57.949 56.100 0.012 0.000 0.960 255 R CB -0.425 29.881 30.300 0.011 0.000 0.856 255 R HN 0.516 8.786 8.270 0.000 0.000 0.436 256 G N 0.218 109.033 108.800 0.024 0.000 2.421 256 G HA2 -0.212 3.745 3.960 -0.005 0.000 0.216 256 G HA3 -0.212 3.745 3.960 -0.005 0.000 0.216 256 G C 1.408 176.341 174.900 0.055 0.000 1.171 256 G CA 0.954 46.077 45.100 0.037 0.000 0.775 256 G HN 0.231 8.521 8.290 0.000 0.000 0.543 257 V N 1.039 120.976 119.914 0.040 0.000 2.307 257 V HA -0.191 3.926 4.120 -0.005 0.000 0.245 257 V C 2.905 179.026 176.094 0.045 0.000 1.045 257 V CA 2.067 64.398 62.300 0.052 0.000 1.024 257 V CB -0.461 31.385 31.823 0.039 0.000 0.651 257 V HN 0.360 8.550 8.190 0.000 0.000 0.449 258 M N -0.133 119.473 119.600 0.011 0.000 2.108 258 M HA -0.212 4.265 4.480 -0.005 0.000 0.261 258 M C 2.508 178.768 176.300 -0.067 0.000 1.066 258 M CA 2.249 57.530 55.300 -0.032 0.000 1.107 258 M CB -0.573 32.017 32.600 -0.017 0.000 1.356 258 M HN 0.422 8.712 8.290 0.000 0.000 0.406 259 S N -0.441 115.231 115.700 -0.046 0.000 2.356 259 S HA -0.199 4.268 4.470 -0.005 0.000 0.223 259 S C 1.871 176.383 174.600 -0.147 0.000 1.032 259 S CA 1.235 59.355 58.200 -0.133 0.000 1.005 259 S CB -0.381 62.788 63.200 -0.051 0.000 0.867 259 S HN 0.539 8.849 8.310 0.000 0.000 0.449 260 Y N 1.919 122.187 120.300 -0.053 0.000 2.145 260 Y HA -0.095 4.452 4.550 -0.005 0.000 0.286 260 Y C 2.234 178.128 175.900 -0.011 0.000 1.145 260 Y CA 1.829 59.961 58.100 0.052 0.000 1.148 260 Y CB -0.586 37.910 38.460 0.060 0.000 0.981 260 Y HN 0.126 8.406 8.280 0.000 0.000 0.507 261 V N 0.715 120.627 119.914 -0.003 0.000 2.343 261 V HA -0.327 3.790 4.120 -0.005 0.000 0.247 261 V C 2.361 178.324 176.094 -0.218 0.000 1.051 261 V CA 2.316 64.499 62.300 -0.195 0.000 1.036 261 V CB -0.609 30.949 31.823 -0.442 0.000 0.654 261 V HN 0.347 8.537 8.190 0.000 0.000 0.451 262 R N -1.253 119.121 120.500 -0.211 0.000 2.120 262 R HA -0.123 4.214 4.340 -0.005 0.000 0.234 262 R C 2.342 178.544 176.300 -0.162 0.000 1.123 262 R CA 1.172 57.156 56.100 -0.192 0.000 0.975 262 R CB -0.346 29.825 30.300 -0.216 0.000 0.866 262 R HN 0.591 8.861 8.270 0.000 0.000 0.446 263 H N -0.225 118.760 119.070 -0.142 0.000 2.357 263 H HA -0.084 4.469 4.556 -0.005 0.000 0.301 263 H C 2.252 177.482 175.328 -0.163 0.000 1.082 263 H CA 1.764 57.724 56.048 -0.147 0.000 1.342 263 H CB -0.350 29.300 29.762 -0.187 0.000 1.389 263 H HN 0.159 8.439 8.280 0.000 0.000 0.511 264 V N -0.653 119.187 119.914 -0.124 0.000 2.427 264 V HA -0.153 3.964 4.120 -0.005 0.000 0.248 264 V C 2.503 178.582 176.094 -0.025 0.000 1.051 264 V CA 1.235 63.477 62.300 -0.096 0.000 1.048 264 V CB -1.092 30.655 31.823 -0.126 0.000 0.666 264 V HN 0.189 8.379 8.190 0.000 0.000 0.456 265 L N 0.838 122.037 121.223 -0.039 0.000 2.131 265 L HA -0.122 4.215 4.340 -0.005 0.000 0.210 265 L C 2.930 179.802 176.870 0.003 0.000 1.092 265 L CA 1.881 56.713 54.840 -0.014 0.000 0.759 265 L CB -0.667 41.375 42.059 -0.027 0.000 0.903 265 L HN 0.506 8.736 8.230 0.000 0.000 0.435 266 S N -0.358 115.350 115.700 0.013 0.000 2.406 266 S HA -0.155 4.312 4.470 -0.005 0.000 0.228 266 S C 2.079 176.719 174.600 0.067 0.000 1.020 266 S CA 1.212 59.434 58.200 0.038 0.000 0.965 266 S CB -0.173 63.062 63.200 0.059 0.000 0.798 266 S HN 0.681 8.991 8.310 0.000 0.000 0.488 267 c N 0.558 119.200 118.600 0.071 0.000 2.594 267 c HA 0.410 4.977 4.570 -0.005 0.000 0.265 267 c C 2.248 176.389 174.090 0.086 0.000 1.351 267 c CA -0.490 55.913 56.329 0.124 0.000 1.744 267 c CB -1.807 40.767 42.510 0.108 0.000 1.890 267 c HN 0.492 8.722 8.230 0.000 0.000 0.551 268 L N 1.883 123.126 121.223 0.033 0.000 2.043 268 L HA 0.072 4.409 4.340 -0.005 0.000 0.212 268 L C 2.479 179.313 176.870 -0.061 0.000 1.075 268 L CA 1.729 56.561 54.840 -0.014 0.000 0.752 268 L CB -1.304 40.749 42.059 -0.009 0.000 0.891 268 L HN 0.682 8.912 8.230 0.000 0.000 0.432 269 G N -0.300 108.485 108.800 -0.024 0.000 2.651 269 G HA2 -0.423 3.534 3.960 -0.005 0.000 0.315 269 G HA3 -0.423 3.534 3.960 -0.005 0.000 0.315 269 G C 0.963 175.812 174.900 -0.084 0.000 1.258 269 G CA 0.336 45.403 45.100 -0.055 0.000 1.002 269 G HN 0.444 8.734 8.290 0.000 0.000 0.551 270 G N 0.187 108.913 108.800 -0.123 0.000 2.462 270 G HA2 0.400 4.357 3.960 -0.005 0.000 0.220 270 G HA3 0.400 4.357 3.960 -0.005 0.000 0.220 270 G C 1.715 176.558 174.900 -0.095 0.000 1.121 270 G CA 1.871 46.907 45.100 -0.105 0.000 0.758 270 G HN 2.701 10.991 8.290 0.000 0.000 0.559 271 G N -1.339 107.400 108.800 -0.102 0.000 2.592 271 G HA2 0.020 3.977 3.960 -0.005 0.000 0.684 271 G HA3 0.020 3.977 3.960 -0.005 0.000 0.684 271 G C -0.804 174.044 174.900 -0.086 0.000 1.291 271 G CA -0.315 44.735 45.100 -0.083 0.000 0.891 271 G HN 0.732 9.022 8.290 0.000 0.000 0.544 272 L N 1.301 122.466 121.223 -0.096 0.000 2.255 272 L HA 0.718 5.055 4.340 -0.005 0.000 0.289 272 L C 0.853 177.639 176.870 -0.140 0.000 1.046 272 L CA 0.307 55.062 54.840 -0.141 0.000 0.816 272 L CB 0.209 42.128 42.059 -0.233 0.000 1.197 272 L HN 1.602 9.832 8.230 0.000 0.000 0.427 273 A N 6.787 129.581 122.820 -0.043 0.000 2.309 273 A HA 0.613 4.930 4.320 -0.005 0.000 0.298 273 A C -0.867 176.792 177.584 0.126 0.000 1.165 273 A CA -0.541 51.542 52.037 0.076 0.000 0.821 273 A CB 0.941 20.042 19.000 0.168 0.000 1.102 273 A HN 0.708 8.858 8.150 0.000 0.000 0.500 274 L N 3.976 125.269 121.223 0.117 0.000 2.438 274 L HA 0.801 5.138 4.340 -0.005 0.000 0.270 274 L C -1.661 175.279 176.870 0.116 0.000 0.972 274 L CA -0.236 54.591 54.840 -0.021 0.000 0.831 274 L CB 1.414 43.320 42.059 -0.254 0.000 1.273 274 L HN 1.072 9.302 8.230 0.000 0.000 0.405 275 W N 4.551 125.802 121.300 -0.081 0.000 3.025 275 W HA 0.703 5.357 4.660 -0.010 0.000 0.343 275 W C -1.565 175.005 176.519 0.086 0.000 1.246 275 W CA -1.033 56.293 57.345 -0.032 0.000 1.178 275 W CB 0.898 30.362 29.460 0.007 0.000 1.463 275 W HN 0.720 8.900 8.180 0.000 0.000 0.578 276 R N 1.742 122.369 120.500 0.210 0.000 2.532 276 R HA 0.816 5.153 4.340 -0.005 0.000 0.295 276 R C -1.334 175.103 176.300 0.229 0.000 0.968 276 R CA -0.662 55.463 56.100 0.042 0.000 0.916 276 R CB 1.702 31.840 30.300 -0.271 0.000 1.124 276 R HN 0.891 9.161 8.270 0.000 0.000 0.463 277 A N 3.138 126.114 122.820 0.260 0.000 2.569 277 A HA 0.578 4.895 4.320 -0.005 0.000 0.282 277 A C 0.247 177.983 177.584 0.254 0.000 1.165 277 A CA 0.033 52.260 52.037 0.315 0.000 0.747 277 A CB 0.902 20.172 19.000 0.451 0.000 1.215 277 A HN 1.118 9.268 8.150 0.000 0.000 0.431 278 G N 2.297 111.168 108.800 0.118 0.000 2.556 278 G HA2 -0.338 3.619 3.960 -0.005 0.000 0.283 278 G HA3 -0.338 3.619 3.960 -0.005 0.000 0.283 278 G C 0.961 175.882 174.900 0.035 0.000 1.177 278 G CA 0.864 46.024 45.100 0.101 0.000 0.978 278 G HN 1.726 10.015 8.290 0.000 0.000 0.554 279 Q N -0.568 119.273 119.800 0.068 0.000 2.403 279 Q HA 0.263 4.600 4.340 -0.005 0.000 0.203 279 Q C 0.304 176.185 176.000 -0.199 0.000 0.932 279 Q CA 0.114 55.885 55.803 -0.053 0.000 0.945 279 Q CB 0.286 28.948 28.738 -0.126 0.000 1.045 279 Q HN 0.532 8.802 8.270 0.000 0.000 0.511 280 W N 1.181 122.373 121.300 -0.180 0.000 2.570 280 W HA 0.547 5.209 4.660 0.004 0.000 0.337 280 W C -0.713 175.525 176.519 -0.469 0.000 1.067 280 W CA -0.714 56.389 57.345 -0.404 0.000 1.229 280 W CB 1.336 30.357 29.460 -0.732 0.000 1.355 280 W HN -0.059 8.121 8.180 0.000 0.000 0.555 281 L N 2.395 123.495 121.223 -0.205 0.000 2.307 281 L HA 0.484 4.821 4.340 -0.005 0.000 0.284 281 L C -0.935 175.619 176.870 -0.525 0.000 1.023 281 L CA -0.694 54.004 54.840 -0.236 0.000 0.810 281 L CB 0.800 42.853 42.059 -0.009 0.000 1.231 281 L HN 0.406 8.636 8.230 0.000 0.000 0.423 282 W N 2.220 123.126 121.300 -0.656 0.000 2.689 282 W HA 0.748 5.405 4.660 -0.004 0.000 0.340 282 W C -0.189 175.710 176.519 -1.033 0.000 1.060 282 W CA -0.452 56.322 57.345 -0.951 0.000 1.218 282 W CB 1.962 30.517 29.460 -1.508 0.000 1.410 282 W HN 0.437 8.617 8.180 0.000 0.000 0.528 283 A N 1.939 124.527 122.820 -0.387 0.000 2.435 283 A HA 0.823 5.140 4.320 -0.005 0.000 0.304 283 A C -1.482 176.110 177.584 0.013 0.000 1.064 283 A CA -0.769 51.160 52.037 -0.180 0.000 0.727 283 A CB 2.159 21.118 19.000 -0.068 0.000 1.284 283 A HN 0.634 8.784 8.150 0.000 0.000 0.415 284 Q N 0.857 120.751 119.800 0.157 0.000 2.295 284 Q HA 0.354 4.691 4.340 -0.005 0.000 0.268 284 Q C -1.214 174.828 176.000 0.071 0.000 1.010 284 Q CA -0.688 55.213 55.803 0.163 0.000 0.856 284 Q CB 1.748 30.661 28.738 0.292 0.000 1.349 284 Q HN 0.757 9.027 8.270 0.000 0.000 0.412 285 R N 5.311 125.825 120.500 0.023 0.000 2.220 285 R HA 0.213 4.550 4.340 -0.005 0.000 0.340 285 R C -0.037 176.225 176.300 -0.064 0.000 1.076 285 R CA 0.098 56.180 56.100 -0.029 0.000 0.920 285 R CB 0.154 30.432 30.300 -0.036 0.000 1.062 285 R HN 0.832 9.102 8.270 0.000 0.000 0.469 286 L N 2.935 124.106 121.223 -0.087 0.000 2.375 286 L HA 0.187 4.524 4.340 -0.005 0.000 0.215 286 L C 1.560 178.299 176.870 -0.219 0.000 1.108 286 L CA 0.485 55.251 54.840 -0.122 0.000 0.830 286 L CB -0.096 41.898 42.059 -0.107 0.000 0.959 286 L HN 0.621 8.851 8.230 0.000 0.000 0.457 287 G N -1.304 107.339 108.800 -0.261 0.000 2.714 287 G HA2 0.115 4.072 3.960 -0.005 0.000 0.197 287 G HA3 0.115 4.072 3.960 -0.005 0.000 0.197 287 G C 0.447 174.980 174.900 -0.612 0.000 1.449 287 G CA -0.268 44.538 45.100 -0.490 0.000 1.065 287 G HN 0.171 8.461 8.290 0.000 0.000 0.575 288 H N -1.586 117.447 119.070 -0.062 0.000 2.755 288 H HA 0.203 4.756 4.556 -0.006 0.000 0.273 288 H C 0.274 175.523 175.328 -0.132 0.000 1.055 288 H CA -0.476 55.519 56.048 -0.089 0.000 1.191 288 H CB -0.191 29.545 29.762 -0.044 0.000 1.536 288 H HN 0.109 8.389 8.280 0.000 0.000 0.529 289 c N 3.529 122.106 118.600 -0.038 0.000 2.499 289 c HA 0.130 4.697 4.570 -0.005 0.000 0.386 289 c C 0.995 175.036 174.090 -0.082 0.000 1.293 289 c CA -0.620 55.703 56.329 -0.011 0.000 1.884 289 c CB -0.401 42.136 42.510 0.047 0.000 2.509 289 c HN 0.428 8.658 8.230 0.000 0.000 0.566 290 H N 2.251 121.370 119.070 0.082 0.000 2.975 290 H HA 0.179 4.731 4.556 -0.006 0.000 0.303 290 H C 0.199 175.503 175.328 -0.041 0.000 1.023 290 H CA 0.728 56.769 56.048 -0.012 0.000 1.473 290 H CB 0.604 30.418 29.762 0.087 0.000 1.498 290 H HN 0.634 8.914 8.280 0.000 0.000 0.549 291 T N 5.203 119.690 114.554 -0.111 0.000 2.824 291 T HA 0.364 4.711 4.350 -0.005 0.000 0.282 291 T C -0.557 174.087 174.700 -0.092 0.000 0.993 291 T CA -0.621 61.509 62.100 0.050 0.000 0.967 291 T CB 0.662 69.624 68.868 0.157 0.000 0.960 291 T HN 0.310 8.550 8.240 0.000 0.000 0.441 292 Y N 1.979 122.537 120.300 0.429 0.000 2.509 292 Y HA 0.732 5.279 4.550 -0.004 0.000 0.341 292 Y C -0.046 176.109 175.900 0.425 0.000 1.038 292 Y CA -1.157 57.151 58.100 0.346 0.000 1.089 292 Y CB 1.432 39.996 38.460 0.174 0.000 1.241 292 Y HN 0.673 8.953 8.280 0.000 0.000 0.468 293 W N 0.350 121.774 121.300 0.207 0.000 2.975 293 W HA 0.939 5.595 4.660 -0.007 0.000 0.342 293 W C -1.856 174.632 176.519 -0.052 0.000 1.168 293 W CA -1.905 55.447 57.345 0.012 0.000 1.141 293 W CB 1.332 30.714 29.460 -0.130 0.000 1.445 293 W HN 0.778 8.958 8.180 0.000 0.000 0.560 294 A N 1.208 124.071 122.820 0.071 0.000 2.577 294 A HA 0.582 4.899 4.320 -0.005 0.000 0.297 294 A C -1.997 175.738 177.584 0.251 0.000 1.060 294 A CA -0.670 51.335 52.037 -0.052 0.000 0.697 294 A CB 1.428 20.398 19.000 -0.050 0.000 1.281 294 A HN 0.510 8.660 8.150 0.000 0.000 0.402 295 V N 1.562 121.625 119.914 0.248 0.000 2.407 295 V HA 0.765 4.882 4.120 -0.005 0.000 0.278 295 V C 0.537 176.754 176.094 0.206 0.000 1.037 295 V CA 0.370 62.844 62.300 0.290 0.000 0.900 295 V CB 1.151 33.193 31.823 0.365 0.000 0.983 295 V HN 1.131 9.321 8.190 0.000 0.000 0.459 296 S N 3.046 118.878 115.700 0.220 0.000 2.843 296 S HA 0.493 4.960 4.470 -0.005 0.000 0.301 296 S C -0.606 174.043 174.600 0.082 0.000 1.206 296 S CA -0.722 57.566 58.200 0.146 0.000 0.875 296 S CB 1.477 64.761 63.200 0.140 0.000 1.248 296 S HN 0.760 9.070 8.310 0.000 0.000 0.555 297 E N 0.678 120.903 120.200 0.042 0.000 2.421 297 E HA 0.186 4.533 4.350 -0.005 0.000 0.253 297 E C 0.392 177.066 176.600 0.123 0.000 1.277 297 E CA -0.308 56.084 56.400 -0.013 0.000 0.968 297 E CB 0.230 29.920 29.700 -0.017 0.000 1.040 297 E HN 0.538 8.898 8.360 0.000 0.000 0.512 298 E N 0.138 120.381 120.200 0.071 0.000 2.516 298 E HA -0.068 4.279 4.350 -0.005 0.000 0.199 298 E C -0.067 176.744 176.600 0.353 0.000 1.069 298 E CA 0.247 56.766 56.400 0.198 0.000 0.876 298 E CB 0.061 29.834 29.700 0.122 0.000 0.843 298 E HN 0.138 8.498 8.360 0.000 0.000 0.530 299 L N 1.336 122.670 121.223 0.185 0.000 2.395 299 L HA 0.092 4.429 4.340 -0.005 0.000 0.269 299 L C 0.118 176.804 176.870 -0.307 0.000 1.133 299 L CA -0.475 54.373 54.840 0.014 0.000 0.812 299 L CB 0.398 42.413 42.059 -0.074 0.000 1.125 299 L HN 0.050 8.280 8.230 0.000 0.000 0.452 300 L N 6.660 127.513 121.223 -0.615 0.000 2.562 300 L HA 0.184 4.521 4.340 -0.005 0.000 0.271 300 L C -1.940 174.373 176.870 -0.928 0.000 1.167 300 L CA -1.068 52.984 54.840 -1.314 0.000 0.917 300 L CB -0.254 41.266 42.059 -0.899 0.000 1.187 300 L HN 0.463 8.693 8.230 0.000 0.000 0.482 301 P HA 0.086 4.506 4.420 0.000 0.000 0.268 301 P C -0.556 176.449 177.300 -0.492 0.000 1.205 301 P CA -0.226 62.518 63.100 -0.594 0.000 0.771 301 P CB 0.739 32.174 31.700 -0.443 0.000 0.858 302 N N 0.025 118.539 118.700 -0.310 0.000 2.354 302 N HA 0.022 4.759 4.740 -0.005 0.000 0.246 302 N C 1.688 177.063 175.510 -0.224 0.000 1.285 302 N CA 0.106 53.002 53.050 -0.257 0.000 0.925 302 N CB 0.243 38.634 38.487 -0.160 0.000 1.174 302 N HN 0.394 8.774 8.380 0.000 0.000 0.478 303 S N -0.134 115.445 115.700 -0.203 0.000 2.399 303 S HA -0.042 4.425 4.470 -0.005 0.000 0.231 303 S C 1.559 176.246 174.600 0.146 0.000 1.022 303 S CA 0.620 58.770 58.200 -0.083 0.000 0.983 303 S CB -1.144 62.009 63.200 -0.079 0.000 0.803 303 S HN 0.867 9.177 8.310 0.000 0.000 0.480 304 G N 3.513 112.318 108.800 0.009 0.000 2.684 304 G HA2 -0.395 3.562 3.960 -0.005 0.000 0.332 304 G HA3 -0.395 3.562 3.960 -0.005 0.000 0.332 304 G C 0.531 175.432 174.900 0.000 0.000 1.306 304 G CA 0.926 46.008 45.100 -0.030 0.000 1.002 304 G HN 1.084 9.374 8.290 0.000 0.000 0.545 305 H N 1.462 120.540 119.070 0.012 0.000 2.487 305 H HA 0.476 5.029 4.556 -0.006 0.000 0.290 305 H C 1.016 176.270 175.328 -0.123 0.000 1.081 305 H CA 0.648 56.670 56.048 -0.044 0.000 1.116 305 H CB -0.360 29.364 29.762 -0.064 0.000 1.560 305 H HN 2.161 10.441 8.280 0.000 0.000 0.548 306 G N 1.826 110.485 108.800 -0.235 0.000 2.592 306 G HA2 -0.188 3.769 3.960 -0.005 0.000 0.684 306 G HA3 -0.188 3.769 3.960 -0.005 0.000 0.684 306 G C -3.001 171.208 174.900 -1.152 0.000 1.291 306 G CA -0.592 44.142 45.100 -0.608 0.000 0.891 306 G HN 0.284 8.574 8.290 0.000 0.000 0.544 307 P HA 0.348 4.768 4.420 0.000 0.000 0.277 307 P C -0.120 176.666 177.300 -0.858 0.000 1.271 307 P CA -0.069 62.084 63.100 -1.578 0.000 0.795 307 P CB 0.822 31.659 31.700 -1.438 0.000 1.101 308 D N -1.261 118.589 120.400 -0.916 0.000 2.277 308 D HA 0.171 4.808 4.640 -0.005 0.000 0.208 308 D C 1.176 176.958 176.300 -0.863 0.000 0.962 308 D CA 1.275 54.744 54.000 -0.885 0.000 0.865 308 D CB -0.121 39.920 40.800 -1.265 0.000 0.939 308 D HN 0.658 9.028 8.370 0.000 0.000 0.510 309 G N -0.459 107.772 108.800 -0.948 0.000 2.322 309 G HA2 0.224 4.181 3.960 -0.005 0.000 0.295 309 G HA3 0.224 4.181 3.960 -0.005 0.000 0.295 309 G C -1.764 173.123 174.900 -0.022 0.000 1.369 309 G CA -0.851 44.046 45.100 -0.338 0.000 0.821 309 G HN -0.003 8.287 8.290 0.000 0.000 0.536 310 E N -0.213 120.139 120.200 0.253 0.000 2.166 310 E HA 0.557 4.904 4.350 -0.005 0.000 0.275 310 E C -0.222 176.562 176.600 0.305 0.000 0.941 310 E CA -0.701 55.802 56.400 0.171 0.000 0.784 310 E CB 1.811 31.509 29.700 -0.003 0.000 1.115 310 E HN 0.340 8.700 8.360 0.000 0.000 0.399 311 V N 7.066 127.158 119.914 0.296 0.000 2.529 311 V HA 0.148 4.265 4.120 -0.005 0.000 0.292 311 V C -1.701 174.458 176.094 0.108 0.000 1.028 311 V CA -1.000 61.433 62.300 0.222 0.000 1.074 311 V CB 0.391 32.340 31.823 0.210 0.000 0.958 311 V HN 0.736 8.926 8.190 0.000 0.000 0.481 312 P HA 0.202 4.622 4.420 0.000 0.000 0.274 312 P C -0.052 177.274 177.300 0.044 0.000 1.237 312 P CA -0.461 62.681 63.100 0.070 0.000 0.793 312 P CB 1.674 33.420 31.700 0.076 0.000 0.977 313 K N 0.888 121.302 120.400 0.023 0.000 2.329 313 K HA -0.020 4.297 4.320 -0.005 0.000 0.198 313 K C 1.225 177.827 176.600 0.003 0.000 1.085 313 K CA 0.535 56.822 56.287 0.000 0.000 0.961 313 K CB -0.102 32.381 32.500 -0.028 0.000 0.971 313 K HN 0.286 8.536 8.250 0.000 0.000 0.502 314 D N 1.150 121.556 120.400 0.009 0.000 2.312 314 D HA -0.105 4.532 4.640 -0.005 0.000 0.211 314 D C -0.146 176.154 176.300 -0.000 0.000 0.964 314 D CA 0.977 54.978 54.000 0.002 0.000 0.877 314 D CB 0.013 40.816 40.800 0.006 0.000 0.924 314 D HN 0.188 8.558 8.370 0.000 0.000 0.515 315 K N -0.431 119.978 120.400 0.015 0.000 2.578 315 K HA 0.338 4.655 4.320 -0.005 0.000 0.287 315 K C -0.891 175.740 176.600 0.052 0.000 1.010 315 K CA -1.025 55.269 56.287 0.012 0.000 0.889 315 K CB 0.712 33.208 32.500 -0.007 0.000 1.514 315 K HN 0.047 8.297 8.250 0.000 0.000 0.424 316 E N 0.161 120.394 120.200 0.054 0.000 2.398 316 E HA 0.445 4.792 4.350 -0.005 0.000 0.263 316 E C -0.280 176.412 176.600 0.153 0.000 1.046 316 E CA -0.724 55.755 56.400 0.132 0.000 0.908 316 E CB 0.578 30.297 29.700 0.031 0.000 0.963 316 E HN 0.695 9.055 8.360 0.000 0.000 0.431 317 G N 1.189 110.102 108.800 0.190 0.000 2.590 317 G HA2 0.517 4.474 3.960 -0.005 0.000 0.310 317 G HA3 0.517 4.474 3.960 -0.005 0.000 0.310 317 G C -0.283 174.628 174.900 0.019 0.000 1.347 317 G CA -0.724 44.451 45.100 0.125 0.000 0.963 317 G HN 0.634 8.924 8.290 0.000 0.000 0.494 318 G N -0.081 108.600 108.800 -0.198 0.000 2.361 318 G HA2 0.461 4.418 3.960 -0.005 0.000 0.260 318 G HA3 0.461 4.418 3.960 -0.005 0.000 0.260 318 G C 0.930 175.572 174.900 -0.429 0.000 1.261 318 G CA 0.332 45.012 45.100 -0.701 0.000 0.897 318 G HN 1.392 9.682 8.290 0.000 0.000 0.499 319 V N 0.564 120.208 119.914 -0.450 0.000 3.612 319 V HA 0.589 4.706 4.120 -0.005 0.000 0.268 319 V C 0.078 176.083 176.094 -0.149 0.000 1.365 319 V CA -0.124 61.737 62.300 -0.733 0.000 1.044 319 V CB -0.440 30.864 31.823 -0.864 0.000 0.820 319 V HN 0.522 8.712 8.190 0.000 0.000 0.444 320 F N 1.085 120.909 119.950 -0.210 0.000 2.622 320 F HA 0.703 5.227 4.527 -0.005 0.000 0.318 320 F C -1.916 173.496 175.800 -0.647 0.000 1.135 320 F CA -0.700 57.148 58.000 -0.255 0.000 1.015 320 F CB 1.904 40.826 39.000 -0.130 0.000 1.275 320 F HN -0.000 8.300 8.300 0.000 0.000 0.457 321 D N 5.539 124.971 120.400 -1.613 0.000 2.425 321 D HA 0.194 4.831 4.640 -0.005 0.000 0.240 321 D C 0.422 175.971 176.300 -1.253 0.000 1.080 321 D CA -0.333 52.582 54.000 -1.809 0.000 0.836 321 D CB 1.864 41.517 40.800 -1.912 0.000 1.125 321 D HN 0.651 9.021 8.370 0.000 0.000 0.525 322 L N 4.390 125.209 121.223 -0.673 0.000 2.191 322 L HA 0.133 4.470 4.340 -0.005 0.000 0.212 322 L C 1.945 178.768 176.870 -0.079 0.000 1.103 322 L CA 2.031 56.792 54.840 -0.130 0.000 0.769 322 L CB -0.495 41.665 42.059 0.168 0.000 0.908 322 L HN 0.585 8.815 8.230 0.000 0.000 0.438 323 G N 0.033 108.644 108.800 -0.316 0.000 2.587 323 G HA2 -0.245 3.712 3.960 -0.005 0.000 0.217 323 G HA3 -0.245 3.712 3.960 -0.005 0.000 0.217 323 G C -0.573 174.444 174.900 0.194 0.000 1.240 323 G CA 0.997 45.958 45.100 -0.231 0.000 0.794 323 G HN 0.353 8.643 8.290 0.000 0.000 0.580 324 P HA -0.075 4.345 4.420 0.000 0.000 0.218 324 P C 1.537 178.892 177.300 0.091 0.000 1.148 324 P CA 0.618 63.796 63.100 0.129 0.000 0.822 324 P CB -0.106 31.589 31.700 -0.008 0.000 0.784 325 F N 0.205 120.106 119.950 -0.081 0.000 2.102 325 F HA -0.193 4.331 4.527 -0.005 0.000 0.298 325 F C 1.881 177.737 175.800 0.094 0.000 1.105 325 F CA 1.492 59.512 58.000 0.034 0.000 1.239 325 F CB -0.523 38.558 39.000 0.134 0.000 0.991 325 F HN -0.245 8.055 8.300 0.000 0.000 0.474 326 I N 0.840 121.544 120.570 0.222 0.000 2.252 326 I HA -0.189 3.978 4.170 -0.005 0.000 0.245 326 I C 2.724 178.845 176.117 0.007 0.000 1.102 326 I CA 1.658 63.025 61.300 0.112 0.000 1.385 326 I CB -1.693 36.434 38.000 0.212 0.000 1.064 326 I HN 0.256 8.466 8.210 0.000 0.000 0.414 327 V N -0.676 119.269 119.914 0.052 0.000 2.407 327 V HA -0.208 3.909 4.120 -0.005 0.000 0.248 327 V C 2.026 178.093 176.094 -0.046 0.000 1.055 327 V CA 1.933 64.221 62.300 -0.019 0.000 1.049 327 V CB -0.943 30.852 31.823 -0.046 0.000 0.662 327 V HN 0.189 8.379 8.190 0.000 0.000 0.455 328 D N 0.316 120.678 120.400 -0.064 0.000 2.178 328 D HA -0.070 4.567 4.640 -0.005 0.000 0.202 328 D C 1.960 178.207 176.300 -0.088 0.000 0.974 328 D CA 1.429 55.383 54.000 -0.077 0.000 0.841 328 D CB -0.227 40.513 40.800 -0.099 0.000 0.953 328 D HN 0.482 8.852 8.370 0.000 0.000 0.478 329 L N 0.750 121.854 121.223 -0.199 0.000 2.083 329 L HA -0.073 4.264 4.340 -0.005 0.000 0.209 329 L C 2.037 178.923 176.870 0.028 0.000 1.083 329 L CA 1.258 56.025 54.840 -0.121 0.000 0.752 329 L CB -0.355 41.556 42.059 -0.246 0.000 0.899 329 L HN -0.013 8.217 8.230 0.000 0.000 0.433 330 I N -1.310 119.240 120.570 -0.032 0.000 2.252 330 I HA -0.281 3.886 4.170 -0.005 0.000 0.245 330 I C 2.162 178.274 176.117 -0.008 0.000 1.102 330 I CA 1.580 62.858 61.300 -0.036 0.000 1.385 330 I CB -0.681 37.284 38.000 -0.059 0.000 1.064 330 I HN 0.231 8.441 8.210 0.000 0.000 0.414 331 T N 0.965 115.523 114.554 0.008 0.000 2.759 331 T HA -0.236 4.111 4.350 -0.005 0.000 0.269 331 T C 1.695 176.442 174.700 0.078 0.000 1.042 331 T CA 1.507 63.622 62.100 0.024 0.000 1.140 331 T CB -0.479 68.403 68.868 0.023 0.000 0.864 331 T HN 0.353 8.593 8.240 0.000 0.000 0.455 332 F N 2.287 122.207 119.950 -0.049 0.000 2.134 332 F HA -0.205 4.319 4.527 -0.005 0.000 0.299 332 F C 2.611 178.405 175.800 -0.011 0.000 1.097 332 F CA 1.501 59.484 58.000 -0.029 0.000 1.264 332 F CB -0.356 38.623 39.000 -0.035 0.000 1.001 332 F HN 0.218 8.518 8.300 0.000 0.000 0.479 333 T N -2.486 111.967 114.554 -0.168 0.000 3.007 333 T HA -0.125 4.222 4.350 -0.005 0.000 0.270 333 T C 1.083 175.675 174.700 -0.181 0.000 1.107 333 T CA 1.184 63.134 62.100 -0.251 0.000 1.118 333 T CB -0.496 68.317 68.868 -0.092 0.000 0.889 333 T HN 0.479 8.719 8.240 0.000 0.000 0.506 334 E N 0.835 120.967 120.200 -0.114 0.000 2.394 334 E HA 0.384 4.731 4.350 -0.005 0.000 0.191 334 E C 1.569 178.126 176.600 -0.071 0.000 1.044 334 E CA 0.010 56.363 56.400 -0.079 0.000 0.939 334 E CB -0.183 29.488 29.700 -0.048 0.000 1.089 334 E HN 0.640 9.000 8.360 0.000 0.000 0.456 335 G N 1.726 110.460 108.800 -0.110 0.000 2.435 335 G HA2 -0.391 3.566 3.960 -0.005 0.000 0.245 335 G HA3 -0.391 3.566 3.960 -0.005 0.000 0.245 335 G C 0.765 175.659 174.900 -0.009 0.000 1.073 335 G CA 0.692 45.749 45.100 -0.071 0.000 0.638 335 G HN 0.488 8.778 8.290 0.000 0.000 0.521 336 S N 0.392 116.096 115.700 0.007 0.000 2.681 336 S HA 0.691 5.158 4.470 -0.005 0.000 0.270 336 S C 1.005 175.658 174.600 0.089 0.000 1.209 336 S CA 0.562 58.785 58.200 0.037 0.000 0.988 336 S CB 1.427 64.638 63.200 0.018 0.000 1.006 336 S HN 2.420 10.730 8.310 0.000 0.000 0.558 337 G N 1.041 109.892 108.800 0.083 0.000 3.116 337 G HA2 -0.169 3.788 3.960 -0.005 0.000 0.685 337 G HA3 -0.169 3.788 3.960 -0.005 0.000 0.685 337 G C -0.167 174.840 174.900 0.178 0.000 1.327 337 G CA -0.150 45.011 45.100 0.101 0.000 1.107 337 G HN 1.104 9.394 8.290 0.000 0.000 0.591 338 R N 0.733 121.283 120.500 0.083 0.000 2.583 338 R HA 0.656 4.993 4.340 -0.005 0.000 0.268 338 R C 0.997 177.161 176.300 -0.227 0.000 1.101 338 R CA -0.129 55.979 56.100 0.013 0.000 1.180 338 R CB 0.529 30.815 30.300 -0.024 0.000 1.128 338 R HN 1.256 9.526 8.270 0.000 0.000 0.568 339 S N 1.335 116.632 115.700 -0.671 0.000 2.537 339 S HA 0.160 4.627 4.470 -0.005 0.000 0.286 339 S C -1.794 172.582 174.600 -0.373 0.000 1.299 339 S CA -1.185 56.393 58.200 -1.036 0.000 1.067 339 S CB 0.337 62.882 63.200 -1.093 0.000 0.864 339 S HN 0.597 8.907 8.310 0.000 0.000 0.494 340 P HA 0.160 4.580 4.420 0.000 0.000 0.268 340 P C -0.572 176.850 177.300 0.202 0.000 1.205 340 P CA -0.408 62.648 63.100 -0.074 0.000 0.771 340 P CB 0.466 31.944 31.700 -0.372 0.000 0.858 341 R N 2.390 123.031 120.500 0.235 0.000 2.490 341 R HA 0.208 4.545 4.340 -0.005 0.000 0.278 341 R C 0.559 177.095 176.300 0.394 0.000 1.069 341 R CA -0.168 56.029 56.100 0.162 0.000 1.080 341 R CB -0.328 30.032 30.300 0.100 0.000 1.030 341 R HN 0.695 8.965 8.270 0.000 0.000 0.491 342 Y N -2.727 117.715 120.300 0.236 0.000 2.729 342 Y HA 0.537 5.084 4.550 -0.006 0.000 0.266 342 Y C 0.016 175.833 175.900 -0.139 0.000 1.064 342 Y CA -0.811 57.262 58.100 -0.044 0.000 1.251 342 Y CB 0.170 38.495 38.460 -0.226 0.000 1.379 342 Y HN 0.470 8.750 8.280 0.000 0.000 0.569 343 A N 2.555 125.199 122.820 -0.293 0.000 2.309 343 A HA 0.602 4.919 4.320 -0.005 0.000 0.290 343 A C -0.678 176.870 177.584 -0.060 0.000 1.206 343 A CA -0.424 51.513 52.037 -0.167 0.000 0.850 343 A CB 0.086 18.974 19.000 -0.187 0.000 1.118 343 A HN 0.467 8.617 8.150 0.000 0.000 0.523 344 L N 2.443 123.599 121.223 -0.113 0.000 2.276 344 L HA 0.361 4.698 4.340 -0.005 0.000 0.286 344 L C -0.878 175.836 176.870 -0.260 0.000 1.061 344 L CA -0.165 54.615 54.840 -0.100 0.000 0.807 344 L CB 0.936 42.960 42.059 -0.059 0.000 1.177 344 L HN 0.785 9.015 8.230 0.000 0.000 0.429 345 W N 3.501 124.712 121.300 -0.148 0.000 2.587 345 W HA 0.481 5.137 4.660 -0.006 0.000 0.324 345 W C -0.834 175.598 176.519 -0.146 0.000 1.040 345 W CA -0.233 57.096 57.345 -0.026 0.000 1.222 345 W CB 1.455 30.965 29.460 0.083 0.000 1.381 345 W HN 0.145 8.325 8.180 0.000 0.000 0.483 346 F N 3.397 123.666 119.950 0.532 0.000 2.427 346 F HA 0.374 4.897 4.527 -0.007 0.000 0.348 346 F C 0.092 176.189 175.800 0.494 0.000 1.125 346 F CA -0.965 57.326 58.000 0.485 0.000 0.989 346 F CB 1.056 40.252 39.000 0.326 0.000 1.165 346 F HN 0.143 8.443 8.300 0.000 0.000 0.442 347 C N 5.910 125.630 119.300 0.700 0.000 2.265 347 C HA 0.776 5.233 4.460 -0.005 0.000 0.332 347 C C -0.286 175.047 174.990 0.571 0.000 1.248 347 C CA -0.489 58.880 59.018 0.586 0.000 1.727 347 C CB -0.791 27.347 27.740 0.663 0.000 2.348 347 C HN 0.591 8.821 8.230 0.000 0.000 0.519 348 V N 7.612 127.800 119.914 0.458 0.000 2.370 348 V HA 0.702 4.819 4.120 -0.005 0.000 0.279 348 V C 0.994 177.316 176.094 0.379 0.000 1.029 348 V CA 0.265 62.791 62.300 0.376 0.000 0.870 348 V CB 0.954 32.943 31.823 0.276 0.000 0.984 348 V HN 1.113 9.303 8.190 0.000 0.000 0.451 349 G N 3.522 112.558 108.800 0.395 0.000 2.938 349 G HA2 0.619 4.576 3.960 -0.005 0.000 0.258 349 G HA3 0.619 4.576 3.960 -0.005 0.000 0.258 349 G C -0.464 174.568 174.900 0.220 0.000 1.356 349 G CA -0.603 44.742 45.100 0.408 0.000 1.052 349 G HN 0.620 8.910 8.290 0.000 0.000 0.550 350 E N -1.010 119.311 120.200 0.202 0.000 2.385 350 E HA 0.232 4.579 4.350 -0.005 0.000 0.254 350 E C 1.590 178.336 176.600 0.242 0.000 1.228 350 E CA 0.265 56.739 56.400 0.124 0.000 0.956 350 E CB 0.889 30.644 29.700 0.092 0.000 1.116 350 E HN 0.435 8.795 8.360 0.000 0.000 0.507 351 S N -0.067 115.756 115.700 0.205 0.000 2.461 351 S HA -0.079 4.388 4.470 -0.005 0.000 0.228 351 S C 0.509 175.351 174.600 0.403 0.000 1.005 351 S CA -0.252 58.083 58.200 0.224 0.000 0.942 351 S CB -0.045 63.249 63.200 0.156 0.000 0.776 351 S HN 0.567 8.877 8.310 0.000 0.000 0.514 352 W N 4.401 125.804 121.300 0.173 0.000 2.303 352 W HA 0.175 4.834 4.660 -0.003 0.000 0.318 352 W C -1.925 174.703 176.519 0.181 0.000 1.362 352 W CA -2.068 55.367 57.345 0.150 0.000 1.234 352 W CB 1.054 30.559 29.460 0.075 0.000 1.248 352 W HN 0.183 8.363 8.180 0.000 0.000 0.546 353 P HA -0.233 4.187 4.420 0.000 0.000 0.222 353 P C 0.727 177.707 177.300 -0.533 0.000 1.147 353 P CA 1.703 64.426 63.100 -0.627 0.000 0.790 353 P CB 0.179 31.511 31.700 -0.613 0.000 0.780 354 Q N -0.519 118.870 119.800 -0.685 0.000 2.444 354 Q HA -0.003 4.334 4.340 -0.005 0.000 0.206 354 Q C 0.425 176.453 176.000 0.047 0.000 0.948 354 Q CA -0.019 55.663 55.803 -0.201 0.000 0.946 354 Q CB -0.228 28.545 28.738 0.060 0.000 1.027 354 Q HN 0.260 8.530 8.270 0.000 0.000 0.513 355 D N 1.298 121.766 120.400 0.113 0.000 2.414 355 D HA -0.025 4.611 4.640 -0.005 0.000 0.242 355 D C -0.418 175.960 176.300 0.130 0.000 1.129 355 D CA 0.551 54.681 54.000 0.217 0.000 0.885 355 D CB 0.646 41.643 40.800 0.329 0.000 1.198 355 D HN -0.028 8.342 8.370 0.000 0.000 0.437 356 Q N 4.032 123.899 119.800 0.111 0.000 2.943 356 Q HA 0.201 4.538 4.340 -0.005 0.000 0.327 356 Q C -1.677 174.358 176.000 0.059 0.000 0.937 356 Q CA -1.326 54.498 55.803 0.035 0.000 0.914 356 Q CB 1.660 30.403 28.738 0.008 0.000 1.339 356 Q HN 0.429 8.699 8.270 0.000 0.000 0.417 357 P HA -0.231 4.189 4.420 0.000 0.000 0.219 357 P C 0.814 178.180 177.300 0.110 0.000 1.146 357 P CA 1.046 64.255 63.100 0.181 0.000 0.808 357 P CB 0.084 32.020 31.700 0.393 0.000 0.779 358 W N 1.434 122.666 121.300 -0.114 0.000 2.465 358 W HA -0.087 4.571 4.660 -0.003 0.000 0.268 358 W C 1.336 177.784 176.519 -0.119 0.000 1.242 358 W CA 1.493 58.760 57.345 -0.130 0.000 1.248 358 W CB -0.563 28.758 29.460 -0.231 0.000 1.118 358 W HN 0.005 8.185 8.180 0.000 0.000 0.587 359 T N 0.800 115.351 114.554 -0.004 0.000 2.708 359 T HA -0.202 4.145 4.350 -0.005 0.000 0.266 359 T C 1.625 176.228 174.700 -0.161 0.000 1.037 359 T CA 1.757 63.818 62.100 -0.065 0.000 1.146 359 T CB -0.128 68.718 68.868 -0.036 0.000 0.865 359 T HN 0.131 8.371 8.240 0.000 0.000 0.435 360 K N -0.162 120.136 120.400 -0.169 0.000 2.354 360 K HA 0.269 4.586 4.320 -0.005 0.000 0.194 360 K C 0.272 176.741 176.600 -0.220 0.000 1.045 360 K CA -0.174 56.000 56.287 -0.189 0.000 1.026 360 K CB 0.382 32.773 32.500 -0.183 0.000 0.866 360 K HN 0.056 8.306 8.250 0.000 0.000 0.530 361 R N 0.982 121.337 120.500 -0.241 0.000 3.251 361 R HA -0.177 4.160 4.340 -0.005 0.000 0.249 361 R C 0.503 176.760 176.300 -0.072 0.000 0.949 361 R CA -0.254 55.706 56.100 -0.234 0.000 0.645 361 R CB -1.486 28.517 30.300 -0.496 0.000 1.065 361 R HN 0.072 8.342 8.270 0.000 0.000 0.452 362 L N -0.546 120.670 121.223 -0.010 0.000 2.093 362 L HA -0.041 4.296 4.340 -0.005 0.000 0.208 362 L C 0.896 177.914 176.870 0.246 0.000 1.085 362 L CA 1.685 56.571 54.840 0.077 0.000 0.755 362 L CB 0.275 42.326 42.059 -0.013 0.000 0.904 362 L HN 0.182 8.412 8.230 0.000 0.000 0.435 363 V N 1.395 121.497 119.914 0.314 0.000 2.326 363 V HA 0.390 4.507 4.120 -0.005 0.000 0.281 363 V C -0.091 176.242 176.094 0.398 0.000 1.015 363 V CA -0.408 62.134 62.300 0.404 0.000 0.823 363 V CB 1.468 33.504 31.823 0.355 0.000 1.009 363 V HN 0.032 8.222 8.190 0.000 0.000 0.436 364 M N 5.230 125.106 119.600 0.460 0.000 2.395 364 M HA 0.620 5.097 4.480 -0.005 0.000 0.307 364 M C -1.029 175.651 176.300 0.633 0.000 1.091 364 M CA -0.592 55.018 55.300 0.516 0.000 0.919 364 M CB 2.131 34.983 32.600 0.421 0.000 1.662 364 M HN 0.290 8.580 8.290 0.000 0.000 0.440 365 V N 2.830 123.098 119.914 0.589 0.000 2.483 365 V HA 0.440 4.557 4.120 -0.005 0.000 0.297 365 V C -0.208 176.039 176.094 0.256 0.000 1.027 365 V CA -0.971 61.594 62.300 0.441 0.000 0.855 365 V CB 2.239 34.278 31.823 0.359 0.000 0.995 365 V HN 0.799 8.989 8.190 0.000 0.000 0.424 366 K N 3.749 124.086 120.400 -0.105 0.000 2.156 366 K HA 0.738 5.055 4.320 -0.005 0.000 0.271 366 K C -1.381 175.104 176.600 -0.191 0.000 0.995 366 K CA -0.416 55.463 56.287 -0.679 0.000 0.890 366 K CB 1.723 33.440 32.500 -1.305 0.000 1.073 366 K HN 0.481 8.731 8.250 0.000 0.000 0.454 367 V N 4.916 124.761 119.914 -0.115 0.000 2.443 367 V HA 0.289 4.406 4.120 -0.005 0.000 0.293 367 V C -0.882 175.244 176.094 0.053 0.000 1.021 367 V CA -0.927 61.414 62.300 0.068 0.000 0.848 367 V CB 1.662 33.611 31.823 0.210 0.000 0.998 367 V HN 0.545 8.735 8.190 0.000 0.000 0.424 368 V N 7.757 127.722 119.914 0.085 0.000 2.378 368 V HA 0.405 4.522 4.120 -0.005 0.000 0.288 368 V C -2.475 173.662 176.094 0.071 0.000 1.016 368 V CA -2.072 60.281 62.300 0.089 0.000 0.840 368 V CB 2.280 34.150 31.823 0.078 0.000 0.994 368 V HN 0.703 8.893 8.190 0.000 0.000 0.431 369 P HA 0.164 4.584 4.420 0.000 0.000 0.280 369 P C 1.157 178.222 177.300 -0.393 0.000 1.300 369 P CA -0.115 62.837 63.100 -0.248 0.000 0.785 369 P CB 0.639 32.216 31.700 -0.205 0.000 0.874 370 T N -0.707 113.608 114.554 -0.398 0.000 2.897 370 T HA -0.238 4.109 4.350 -0.005 0.000 0.271 370 T C 1.622 176.079 174.700 -0.404 0.000 1.084 370 T CA 1.449 63.290 62.100 -0.430 0.000 1.123 370 T CB -1.446 67.075 68.868 -0.578 0.000 0.865 370 T HN 0.508 8.748 8.240 0.000 0.000 0.496 371 C N 1.272 120.276 119.300 -0.494 0.000 2.425 371 C HA 0.176 4.633 4.460 -0.005 0.000 0.277 371 C C 2.580 177.299 174.990 -0.453 0.000 1.280 371 C CA -0.085 58.651 59.018 -0.470 0.000 1.744 371 C CB -1.833 25.419 27.740 -0.813 0.000 1.989 371 C HN 0.527 8.757 8.230 0.000 0.000 0.491 372 L N 0.861 121.712 121.223 -0.621 0.000 2.109 372 L HA -0.071 4.266 4.340 -0.005 0.000 0.207 372 L C 3.207 179.642 176.870 -0.725 0.000 1.086 372 L CA 1.758 56.221 54.840 -0.628 0.000 0.760 372 L CB -0.892 40.635 42.059 -0.886 0.000 0.910 372 L HN 0.386 8.616 8.230 0.000 0.000 0.437 373 R N 0.890 120.823 120.500 -0.944 0.000 2.081 373 R HA -0.179 4.158 4.340 -0.005 0.000 0.235 373 R C 2.330 178.442 176.300 -0.314 0.000 1.131 373 R CA 1.547 57.144 56.100 -0.838 0.000 0.960 373 R CB -0.208 29.819 30.300 -0.455 0.000 0.856 373 R HN 0.316 8.586 8.270 0.000 0.000 0.436 374 A N 0.973 123.667 122.820 -0.210 0.000 1.898 374 A HA -0.122 4.195 4.320 -0.005 0.000 0.216 374 A C 2.015 179.578 177.584 -0.036 0.000 1.181 374 A CA 0.940 52.932 52.037 -0.074 0.000 0.620 374 A CB -0.431 18.562 19.000 -0.011 0.000 0.819 374 A HN 0.287 8.437 8.150 0.000 0.000 0.442 375 L N -0.339 120.884 121.223 -0.001 0.000 2.083 375 L HA -0.125 4.212 4.340 -0.005 0.000 0.209 375 L C 2.590 179.599 176.870 0.233 0.000 1.083 375 L CA 1.400 56.350 54.840 0.183 0.000 0.752 375 L CB -0.836 41.390 42.059 0.280 0.000 0.899 375 L HN 0.219 8.449 8.230 0.000 0.000 0.433 376 V N -0.823 119.195 119.914 0.172 0.000 2.358 376 V HA -0.225 3.892 4.120 -0.005 0.000 0.246 376 V C 2.551 178.762 176.094 0.196 0.000 1.047 376 V CA 1.532 63.957 62.300 0.209 0.000 1.035 376 V CB -0.410 31.541 31.823 0.213 0.000 0.658 376 V HN 0.407 8.597 8.190 0.000 0.000 0.452 377 E N 0.214 120.476 120.200 0.103 0.000 2.110 377 E HA -0.253 4.094 4.350 -0.005 0.000 0.193 377 E C 1.981 178.604 176.600 0.039 0.000 0.988 377 E CA 1.593 58.040 56.400 0.079 0.000 0.804 377 E CB -0.392 29.328 29.700 0.033 0.000 0.745 377 E HN 0.458 8.818 8.360 0.000 0.000 0.458 378 M N 0.059 119.642 119.600 -0.028 0.000 2.159 378 M HA 0.026 4.503 4.480 -0.005 0.000 0.263 378 M C 1.950 178.174 176.300 -0.126 0.000 1.063 378 M CA 1.989 57.167 55.300 -0.203 0.000 1.110 378 M CB -0.502 31.794 32.600 -0.507 0.000 1.374 378 M HN 0.144 8.434 8.290 0.000 0.000 0.411 379 A N -0.388 122.514 122.820 0.136 0.000 2.014 379 A HA -0.088 4.229 4.320 -0.005 0.000 0.218 379 A C 2.318 179.985 177.584 0.139 0.000 1.163 379 A CA 1.474 53.674 52.037 0.272 0.000 0.652 379 A CB -0.658 18.613 19.000 0.452 0.000 0.808 379 A HN 0.592 8.742 8.150 0.000 0.000 0.449 380 R N -0.636 119.991 120.500 0.211 0.000 2.055 380 R HA -0.061 4.276 4.340 -0.005 0.000 0.228 380 R C 2.045 178.377 176.300 0.054 0.000 1.143 380 R CA 1.707 57.916 56.100 0.182 0.000 0.945 380 R CB -0.491 29.950 30.300 0.234 0.000 0.841 380 R HN 0.291 8.561 8.270 0.000 0.000 0.429 381 V N 0.642 120.575 119.914 0.033 0.000 2.548 381 V HA -0.031 4.086 4.120 -0.005 0.000 0.249 381 V C 2.001 178.082 176.094 -0.022 0.000 1.055 381 V CA 2.170 64.469 62.300 -0.000 0.000 1.065 381 V CB -0.309 31.506 31.823 -0.014 0.000 0.681 381 V HN 0.623 8.813 8.190 0.000 0.000 0.462 382 G N -0.396 108.385 108.800 -0.032 0.000 2.470 382 G HA2 -0.103 3.853 3.960 -0.005 0.000 0.220 382 G HA3 -0.103 3.853 3.960 -0.005 0.000 0.220 382 G C 1.368 176.252 174.900 -0.026 0.000 1.121 382 G CA 0.642 45.725 45.100 -0.029 0.000 0.766 382 G HN 0.703 8.993 8.290 0.000 0.000 0.553 383 G N -0.035 108.736 108.800 -0.049 0.000 3.026 383 G HA2 0.333 4.289 3.960 -0.005 0.000 0.208 383 G HA3 0.333 4.289 3.960 -0.005 0.000 0.208 383 G C 1.424 176.290 174.900 -0.056 0.000 1.169 383 G CA 1.026 46.080 45.100 -0.078 0.000 0.788 383 G HN 0.526 8.816 8.290 0.000 0.000 0.533 384 A N 0.022 122.821 122.820 -0.036 0.000 1.956 384 A HA 0.532 4.849 4.320 -0.005 0.000 0.212 384 A C 1.509 179.079 177.584 -0.022 0.000 1.188 384 A CA 1.352 53.373 52.037 -0.025 0.000 0.675 384 A CB 0.149 19.139 19.000 -0.016 0.000 0.845 384 A HN 0.764 8.914 8.150 0.000 0.000 0.455 388 E N 1.893 122.084 120.200 -0.016 0.000 2.259 388 E HA 0.294 4.641 4.350 -0.005 0.000 0.281 388 E C -0.655 175.927 176.600 -0.030 0.000 1.037 388 E CA -0.354 56.035 56.400 -0.018 0.000 0.854 388 E CB 1.119 30.813 29.700 -0.010 0.000 1.051 388 E HN 0.299 8.659 8.360 0.000 0.000 0.409 389 N N 1.662 120.333 118.700 -0.048 0.000 2.384 389 N HA 0.249 4.986 4.740 -0.005 0.000 0.301 389 N C -0.568 174.895 175.510 -0.078 0.000 1.133 389 N CA -0.401 52.609 53.050 -0.066 0.000 0.853 389 N CB 2.054 40.486 38.487 -0.091 0.000 1.241 389 N HN 0.409 8.789 8.380 0.000 0.000 0.502 390 T N -2.137 112.373 114.554 -0.073 0.000 2.867 390 T HA 0.523 4.870 4.350 -0.005 0.000 0.282 390 T C -0.206 174.432 174.700 -0.103 0.000 1.000 390 T CA -0.683 61.373 62.100 -0.074 0.000 1.042 390 T CB 1.295 70.130 68.868 -0.055 0.000 0.973 390 T HN 0.171 8.411 8.240 0.000 0.000 0.465 391 V N 2.295 122.141 119.914 -0.113 0.000 2.588 391 V HA 0.533 4.650 4.120 -0.005 0.000 0.304 391 V C -1.431 174.582 176.094 -0.136 0.000 1.042 391 V CA -0.791 61.429 62.300 -0.132 0.000 0.877 391 V CB 1.817 33.538 31.823 -0.170 0.000 0.996 391 V HN 1.092 9.282 8.190 0.000 0.000 0.425 392 D N 4.926 125.212 120.400 -0.189 0.000 2.349 392 D HA 0.341 4.978 4.640 -0.005 0.000 0.232 392 D C 0.898 176.964 176.300 -0.390 0.000 1.071 392 D CA -0.246 53.546 54.000 -0.347 0.000 0.832 392 D CB 1.737 42.213 40.800 -0.540 0.000 1.086 392 D HN 0.540 8.910 8.370 0.000 0.000 0.504 393 L N 3.022 124.064 121.223 -0.301 0.000 2.465 393 L HA -0.021 4.316 4.340 -0.005 0.000 0.224 393 L C 0.460 177.187 176.870 -0.237 0.000 1.145 393 L CA 0.176 54.871 54.840 -0.243 0.000 0.834 393 L CB -0.455 41.488 42.059 -0.193 0.000 0.944 393 L HN 0.569 8.799 8.230 0.000 0.000 0.451 394 H N 0.687 119.633 119.070 -0.206 0.000 2.677 394 H HA -0.134 4.419 4.556 -0.005 0.000 0.321 394 H C -0.013 175.179 175.328 -0.227 0.000 1.171 394 H CA 1.098 57.020 56.048 -0.211 0.000 1.139 394 H CB -1.762 27.856 29.762 -0.241 0.000 1.515 394 H HN 0.488 8.768 8.280 0.000 0.000 0.423 395 I N -2.702 117.798 120.570 -0.117 0.000 3.002 395 I HA 0.511 4.678 4.170 -0.005 0.000 0.310 395 I C 0.643 176.727 176.117 -0.055 0.000 1.087 395 I CA -1.094 60.167 61.300 -0.064 0.000 1.017 395 I CB 2.118 40.092 38.000 -0.044 0.000 1.226 395 I HN 0.108 8.318 8.210 0.000 0.000 0.443 396 S N 2.571 118.265 115.700 -0.010 0.000 2.558 396 S HA 0.027 4.494 4.470 -0.005 0.000 0.293 396 S C 0.413 174.970 174.600 -0.071 0.000 1.292 396 S CA -0.110 58.073 58.200 -0.028 0.000 1.063 396 S CB -0.244 62.961 63.200 0.007 0.000 0.831 396 S HN 0.872 9.182 8.310 0.000 0.000 0.499 397 N N 0.684 119.322 118.700 -0.102 0.000 2.688 397 N HA -0.174 4.563 4.740 -0.005 0.000 0.258 397 N C -0.232 175.119 175.510 -0.266 0.000 1.016 397 N CA 1.271 54.225 53.050 -0.161 0.000 0.747 397 N CB -1.989 36.446 38.487 -0.087 0.000 0.895 397 N HN 1.047 9.427 8.380 0.000 0.000 0.543 398 S N -0.794 114.684 115.700 -0.369 0.000 2.667 398 S HA 0.754 5.221 4.470 -0.005 0.000 0.292 398 S C -0.837 173.396 174.600 -0.613 0.000 1.126 398 S CA -0.872 57.087 58.200 -0.401 0.000 0.881 398 S CB 3.077 66.146 63.200 -0.219 0.000 1.132 398 S HN 0.281 8.591 8.310 0.000 0.000 0.492 399 H N -0.455 118.566 119.070 -0.081 0.000 2.895 399 H HA 0.548 5.101 4.556 -0.005 0.000 0.373 399 H C -2.916 172.350 175.328 -0.102 0.000 1.174 399 H CA -1.558 54.439 56.048 -0.086 0.000 1.144 399 H CB 1.084 30.812 29.762 -0.058 0.000 1.793 399 H HN 0.438 8.718 8.280 0.000 0.000 0.551 400 P HA 0.022 4.442 4.420 0.000 0.000 0.264 400 P C 0.014 177.302 177.300 -0.019 0.000 1.183 400 P CA 0.346 63.417 63.100 -0.048 0.000 0.763 400 P CB 0.679 32.349 31.700 -0.051 0.000 0.807 404 T N -2.774 111.797 114.554 0.029 0.000 2.816 404 T HA 0.187 4.534 4.350 -0.005 0.000 0.282 404 T C 1.077 175.804 174.700 0.044 0.000 0.993 404 T CA 0.227 62.335 62.100 0.014 0.000 0.994 404 T CB 1.729 70.598 68.868 0.002 0.000 1.025 404 T HN 0.615 8.855 8.240 0.000 0.000 0.529 405 S N 0.075 115.795 115.700 0.035 0.000 2.368 405 S HA -0.152 4.315 4.470 -0.005 0.000 0.225 405 S C 1.543 176.187 174.600 0.073 0.000 1.030 405 S CA 1.607 59.852 58.200 0.074 0.000 0.999 405 S CB -0.939 62.279 63.200 0.031 0.000 0.844 405 S HN 0.738 9.048 8.310 0.000 0.000 0.459 406 D N 0.937 121.346 120.400 0.015 0.000 2.117 406 D HA -0.081 4.556 4.640 -0.005 0.000 0.198 406 D C 2.257 178.521 176.300 -0.060 0.000 0.982 406 D CA 1.099 55.085 54.000 -0.023 0.000 0.828 406 D CB -0.433 40.344 40.800 -0.039 0.000 0.967 406 D HN 0.604 8.974 8.370 0.000 0.000 0.464 407 Q N -0.609 119.154 119.800 -0.062 0.000 2.079 407 Q HA -0.178 4.159 4.340 -0.005 0.000 0.200 407 Q C 2.076 177.993 176.000 -0.138 0.000 0.974 407 Q CA 0.900 56.591 55.803 -0.187 0.000 0.840 407 Q CB -0.214 28.452 28.738 -0.120 0.000 0.898 407 Q HN 0.336 8.606 8.270 0.000 0.000 0.430 408 Y N 1.895 122.160 120.300 -0.058 0.000 2.145 408 Y HA -0.213 4.334 4.550 -0.005 0.000 0.286 408 Y C 1.822 177.741 175.900 0.031 0.000 1.145 408 Y CA 1.529 59.658 58.100 0.048 0.000 1.148 408 Y CB 0.017 38.504 38.460 0.045 0.000 0.981 408 Y HN -0.107 8.173 8.280 0.000 0.000 0.507 409 K N -0.333 120.029 120.400 -0.064 0.000 2.097 409 K HA -0.111 4.205 4.320 -0.005 0.000 0.206 409 K C 2.318 178.836 176.600 -0.137 0.000 1.049 409 K CA 0.989 57.183 56.287 -0.154 0.000 0.933 409 K CB -0.330 32.126 32.500 -0.073 0.000 0.717 409 K HN 0.377 8.627 8.250 0.000 0.000 0.442 410 A N 0.704 123.436 122.820 -0.147 0.000 1.898 410 A HA -0.163 4.154 4.320 -0.005 0.000 0.216 410 A C 1.784 179.319 177.584 -0.082 0.000 1.181 410 A CA 1.252 53.196 52.037 -0.155 0.000 0.620 410 A CB -0.638 18.210 19.000 -0.254 0.000 0.819 410 A HN 0.225 8.375 8.150 0.000 0.000 0.442 411 Y N 0.030 120.302 120.300 -0.048 0.000 2.293 411 Y HA -0.035 4.512 4.550 -0.005 0.000 0.291 411 Y C 2.145 177.998 175.900 -0.079 0.000 1.137 411 Y CA 0.579 58.656 58.100 -0.038 0.000 1.202 411 Y CB -0.656 37.805 38.460 0.002 0.000 0.990 411 Y HN 0.183 8.463 8.280 0.000 0.000 0.537 412 L N -0.542 120.664 121.223 -0.028 0.000 2.056 412 L HA -0.256 4.081 4.340 -0.005 0.000 0.207 412 L C 2.330 179.185 176.870 -0.024 0.000 1.078 412 L CA 1.393 56.176 54.840 -0.095 0.000 0.749 412 L CB -0.578 41.323 42.059 -0.264 0.000 0.901 412 L HN 0.245 8.475 8.230 0.000 0.000 0.433 413 Q N -0.374 119.407 119.800 -0.031 0.000 2.084 413 Q HA -0.267 4.070 4.340 -0.005 0.000 0.202 413 Q C 1.717 177.729 176.000 0.021 0.000 0.978 413 Q CA 1.966 57.759 55.803 -0.018 0.000 0.844 413 Q CB -0.204 28.514 28.738 -0.034 0.000 0.898 413 Q HN 0.456 8.726 8.270 0.000 0.000 0.426 414 D N 0.594 121.026 120.400 0.054 0.000 2.183 414 D HA -0.103 4.534 4.640 -0.005 0.000 0.203 414 D C 1.775 178.129 176.300 0.089 0.000 0.969 414 D CA 0.403 54.450 54.000 0.079 0.000 0.842 414 D CB -0.029 40.843 40.800 0.120 0.000 0.957 414 D HN 0.117 8.487 8.370 0.000 0.000 0.484 415 L N -0.021 121.258 121.223 0.093 0.000 2.127 415 L HA -0.152 4.185 4.340 -0.005 0.000 0.211 415 L C 2.051 179.001 176.870 0.133 0.000 1.089 415 L CA 0.827 55.727 54.840 0.101 0.000 0.757 415 L CB -0.152 41.964 42.059 0.094 0.000 0.899 415 L HN 0.061 8.291 8.230 0.000 0.000 0.434 416 V N -0.131 119.863 119.914 0.133 0.000 2.392 416 V HA -0.263 3.854 4.120 -0.005 0.000 0.249 416 V C 2.375 178.614 176.094 0.241 0.000 1.059 416 V CA 1.638 64.062 62.300 0.207 0.000 1.051 416 V CB -0.530 31.332 31.823 0.066 0.000 0.658 416 V HN 0.474 8.664 8.190 0.000 0.000 0.455 417 E N 0.488 120.774 120.200 0.143 0.000 2.338 417 E HA -0.078 4.269 4.350 -0.005 0.000 0.197 417 E C 2.110 178.791 176.600 0.134 0.000 1.007 417 E CA 1.063 57.541 56.400 0.130 0.000 0.849 417 E CB -0.310 29.440 29.700 0.084 0.000 0.774 417 E HN 0.638 8.998 8.360 0.000 0.000 0.506 418 G N -0.046 108.833 108.800 0.131 0.000 3.141 418 G HA2 0.190 4.147 3.960 -0.005 0.000 0.218 418 G HA3 0.190 4.147 3.960 -0.005 0.000 0.218 418 G C 0.540 175.498 174.900 0.096 0.000 1.170 418 G CA -0.158 45.005 45.100 0.105 0.000 0.769 418 G HN 0.036 8.326 8.290 0.000 0.000 0.546 419 M N 0.139 119.809 119.600 0.116 0.000 2.619 419 M HA 0.356 4.833 4.480 -0.005 0.000 0.297 419 M C -1.490 174.778 176.300 -0.053 0.000 1.229 419 M CA -0.965 54.331 55.300 -0.007 0.000 0.860 419 M CB 2.372 34.902 32.600 -0.117 0.000 1.741 419 M HN -0.211 8.079 8.290 0.000 0.000 0.462 420 D N 1.032 121.323 120.400 -0.182 0.000 2.264 420 D HA 0.529 5.166 4.640 -0.005 0.000 0.249 420 D C -1.419 174.621 176.300 -0.434 0.000 1.070 420 D CA 0.452 54.380 54.000 -0.119 0.000 0.912 420 D CB 1.014 41.812 40.800 -0.002 0.000 1.193 420 D HN 0.244 8.614 8.370 0.000 0.000 0.427 421 F N 0.712 120.703 119.950 0.067 0.000 2.617 421 F HA 0.157 4.681 4.527 -0.004 0.000 0.325 421 F C 0.489 176.325 175.800 0.061 0.000 1.179 421 F CA -0.913 57.120 58.000 0.055 0.000 0.965 421 F CB 1.673 40.692 39.000 0.032 0.000 1.232 421 F HN 0.077 8.377 8.300 0.000 0.000 0.461 422 Q N 1.975 121.892 119.800 0.195 0.000 2.337 422 Q HA 0.482 4.819 4.340 -0.005 0.000 0.270 422 Q C 0.260 176.341 176.000 0.134 0.000 1.002 422 Q CA -0.055 55.834 55.803 0.142 0.000 0.888 422 Q CB 1.059 29.868 28.738 0.118 0.000 1.222 422 Q HN 0.901 9.171 8.270 0.000 0.000 0.400 423 G N 3.715 112.576 108.800 0.102 0.000 2.462 423 G HA2 0.415 4.372 3.960 -0.005 0.000 0.319 423 G HA3 0.415 4.372 3.960 -0.005 0.000 0.319 423 G C -2.485 172.452 174.900 0.061 0.000 1.171 423 G CA -1.549 43.598 45.100 0.079 0.000 0.920 423 G HN 0.577 8.867 8.290 0.000 0.000 0.499 424 P HA 0.169 4.589 4.420 0.000 0.000 0.247 424 P C 0.695 178.016 177.300 0.035 0.000 1.147 424 P CA 1.598 64.721 63.100 0.038 0.000 0.964 424 P CB 0.164 31.882 31.700 0.029 0.000 0.944 425 G N 2.258 111.079 108.800 0.036 0.000 2.370 425 G HA2 -0.247 3.709 3.960 -0.005 0.000 0.295 425 G HA3 -0.247 3.709 3.960 -0.005 0.000 0.295 425 G C 0.026 174.945 174.900 0.032 0.000 1.045 425 G CA -0.454 44.665 45.100 0.032 0.000 1.199 425 G HN 0.451 8.741 8.290 0.000 0.000 0.513 426 E N 0.000 120.223 120.200 0.038 0.000 2.725 426 E HA 0.000 4.347 4.350 -0.005 0.000 0.291 426 E CA 0.000 56.422 56.400 0.037 0.000 0.976 426 E CB 0.000 29.728 29.700 0.047 0.000 0.812 426 E HN 0.000 8.360 8.360 0.000 0.000 0.440