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 2adc_1_A DATA FIRST_RESID 324 DATA SEQUENCE GRIAIPGLAG AGNSVLLVSN LNPERVTPQS LFILFGVYGD VQRVKILFNK DATA SEQUENCE KENALVQMAD GNQAQLAMSH LNGHKLHGKP IRITLSKHQN VQLPREGQED DATA SEQUENCE QGLTKDYGNS PLHRFKKPGS KNFQNIFPPS ATLHLSNIPP SVSEEDLKVL DATA SEQUENCE FSSNGGVVKG FKFFQKDRKM ALIQMGSVEE AVQALIDLHN HDLGENHHLR DATA SEQUENCE VSFSKSTI 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 324 G HA2 0.000 nan 3.960 nan 0.000 0.244 324 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 324 G C 0.000 174.900 174.900 0.000 0.000 0.946 324 G CA 0.000 45.100 45.100 -0.000 0.000 0.502 325 R N -0.009 120.491 120.500 0.000 0.000 2.774 325 R HA 0.212 4.553 4.340 0.001 0.000 0.269 325 R C 0.119 176.420 176.300 0.000 0.000 1.068 325 R CA -0.648 55.452 56.100 0.000 0.000 1.180 325 R CB 0.978 31.278 30.300 0.001 0.000 1.077 325 R HN -0.293 7.977 8.270 0.000 0.000 0.513 326 I N 0.232 120.803 120.570 0.001 0.000 3.138 326 I HA -0.089 4.081 4.170 0.000 0.000 0.288 326 I C -0.736 175.381 176.117 -0.000 0.000 1.148 326 I CA -0.623 60.678 61.300 0.000 0.000 1.315 326 I CB 0.691 38.692 38.000 0.001 0.000 1.426 326 I HN 0.283 8.494 8.210 0.001 0.000 0.615 327 A N 6.258 129.077 122.820 -0.001 0.000 2.352 327 A HA 0.632 4.951 4.320 -0.002 0.000 0.299 327 A C -1.625 175.959 177.584 -0.002 0.000 1.160 327 A CA -0.683 51.353 52.037 -0.002 0.000 0.933 327 A CB 1.587 20.585 19.000 -0.002 0.000 1.387 327 A HN 0.331 8.481 8.150 -0.000 0.000 0.487 328 I N 0.500 121.068 120.570 -0.003 0.000 2.428 328 I HA 0.215 4.384 4.170 -0.002 0.000 0.279 328 I C -0.881 175.233 176.117 -0.005 0.000 1.040 328 I CA -2.329 58.969 61.300 -0.004 0.000 1.171 328 I CB 0.868 38.865 38.000 -0.005 0.000 1.312 328 I HN 0.197 8.405 8.210 -0.004 0.000 0.470 329 P HA -0.040 4.377 4.420 -0.005 0.000 0.223 329 P C 1.314 178.610 177.300 -0.007 0.000 1.151 329 P CA 1.662 64.759 63.100 -0.004 0.000 0.787 329 P CB -0.042 31.656 31.700 -0.002 0.000 0.788 330 G N -1.090 107.705 108.800 -0.008 0.000 2.679 330 G HA2 -0.114 3.839 3.960 -0.012 0.000 0.212 330 G HA3 -0.114 3.838 3.960 -0.014 0.000 0.212 330 G C 1.274 176.161 174.900 -0.021 0.000 1.137 330 G CA 0.402 45.494 45.100 -0.013 0.000 0.787 330 G HN 0.330 8.587 8.290 -0.006 0.029 0.534 331 L N 0.907 122.119 121.223 -0.019 0.000 2.265 331 L HA -0.162 4.162 4.340 -0.027 0.000 0.215 331 L C 0.934 177.791 176.870 -0.022 0.000 1.117 331 L CA 1.173 56.000 54.840 -0.022 0.000 0.782 331 L CB -0.276 41.773 42.059 -0.016 0.000 0.914 331 L HN -0.508 7.653 8.230 -0.014 0.061 0.441 332 A N -1.931 120.879 122.820 -0.018 0.000 2.239 332 A HA -0.022 4.288 4.320 -0.016 0.000 0.209 332 A C 0.865 178.437 177.584 -0.019 0.000 1.171 332 A CA 0.033 52.060 52.037 -0.016 0.000 0.768 332 A CB -0.043 18.950 19.000 -0.012 0.000 0.790 332 A HN -0.423 7.678 8.150 -0.015 0.040 0.478 333 G N -0.466 108.319 108.800 -0.026 0.000 2.661 333 G HA2 -0.120 3.827 3.960 -0.022 0.000 0.292 333 G HA3 -0.120 3.816 3.960 -0.041 0.000 0.292 333 G C -1.860 173.021 174.900 -0.032 0.000 0.781 333 G CA 0.054 45.136 45.100 -0.030 0.000 1.860 333 G HN -0.461 7.633 8.290 -0.028 0.179 0.512 334 A N 4.145 126.951 122.820 -0.022 0.000 2.387 334 A HA 0.503 4.808 4.320 -0.024 0.000 0.303 334 A C -0.355 177.222 177.584 -0.011 0.000 1.145 334 A CA -1.390 50.636 52.037 -0.020 0.000 0.801 334 A CB 2.325 21.313 19.000 -0.019 0.000 1.342 334 A HN -0.804 7.336 8.150 -0.017 0.000 0.440 335 G N -0.252 108.542 108.800 -0.009 0.000 2.273 335 G HA2 -0.340 3.620 3.960 -0.002 0.000 0.280 335 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.280 335 G C 0.671 175.576 174.900 0.008 0.000 1.047 335 G CA 0.617 45.717 45.100 -0.001 0.000 0.869 335 G HN 0.290 8.572 8.290 -0.013 0.000 0.502 336 N N -0.603 118.102 118.700 0.007 0.000 2.512 336 N HA -0.233 4.516 4.740 0.015 0.000 0.183 336 N C 0.165 175.696 175.510 0.034 0.000 1.073 336 N CA 0.967 54.026 53.050 0.016 0.000 0.911 336 N CB -0.116 38.374 38.487 0.004 0.000 0.964 336 N HN 0.293 8.655 8.380 -0.000 0.019 0.447 337 S N -5.340 110.382 115.700 0.037 0.000 2.616 337 S HA -0.329 4.169 4.470 0.048 0.000 0.254 337 S C -0.941 173.698 174.600 0.064 0.000 1.299 337 S CA 2.009 60.239 58.200 0.050 0.000 1.553 337 S CB -0.832 62.400 63.200 0.054 0.000 1.999 337 S HN 0.398 8.657 8.310 0.028 0.068 0.677 338 V N -3.766 116.188 119.914 0.067 0.000 3.133 338 V HA 0.198 4.504 4.120 0.082 -0.137 0.305 338 V C -0.815 175.329 176.094 0.083 0.000 1.084 338 V CA -0.713 61.636 62.300 0.082 0.000 1.089 338 V CB 0.652 32.538 31.823 0.105 0.000 1.073 338 V HN -0.611 7.482 8.190 0.060 0.132 0.477 339 L N -1.177 120.106 121.223 0.099 0.000 2.362 339 L HA 0.398 4.921 4.340 0.086 -0.132 0.275 339 L C -0.650 176.280 176.870 0.100 0.000 0.998 339 L CA -2.190 52.717 54.840 0.111 0.000 0.820 339 L CB 3.506 45.683 42.059 0.196 0.000 1.270 339 L HN 0.341 8.516 8.230 0.092 0.110 0.415 340 L N 5.385 126.660 121.223 0.087 0.000 2.565 340 L HA 0.047 4.439 4.340 0.087 0.000 0.275 340 L C -2.203 174.715 176.870 0.079 0.000 1.137 340 L CA 0.258 55.145 54.840 0.078 0.000 0.915 340 L CB -0.452 41.642 42.059 0.058 0.000 1.232 340 L HN 0.428 8.700 8.230 0.070 0.000 0.473 341 V N 9.331 129.286 119.914 0.068 0.000 2.334 341 V HA 0.462 4.785 4.120 0.123 -0.130 0.281 341 V C -0.914 175.207 176.094 0.045 0.000 1.016 341 V CA -1.050 61.302 62.300 0.087 0.000 0.832 341 V CB 0.227 32.102 31.823 0.085 0.000 0.999 341 V HN 0.080 8.297 8.190 0.046 0.000 0.439 342 S N 5.925 121.653 115.700 0.047 0.000 2.704 342 S HA 0.619 5.169 4.470 0.002 -0.079 0.296 342 S C 0.500 175.114 174.600 0.022 0.000 1.138 342 S CA -2.293 55.919 58.200 0.020 0.000 0.875 342 S CB 3.738 66.946 63.200 0.014 0.000 1.151 342 S HN 0.812 9.058 8.310 0.065 0.102 0.500 343 N N -1.435 117.269 118.700 0.007 0.000 2.857 343 N HA -0.430 4.310 4.740 -0.001 0.000 0.242 343 N C -0.382 175.138 175.510 0.016 0.000 0.983 343 N CA 2.172 55.227 53.050 0.008 0.000 0.934 343 N CB -0.287 38.208 38.487 0.013 0.000 1.115 343 N HN 0.117 8.493 8.380 -0.007 0.000 0.593 344 L N -7.130 114.108 121.223 0.024 0.000 2.472 344 L HA 0.020 4.384 4.340 0.040 0.000 0.273 344 L C -0.844 176.040 176.870 0.024 0.000 1.254 344 L CA 0.276 55.136 54.840 0.033 0.000 0.823 344 L CB 0.344 42.429 42.059 0.044 0.000 1.096 344 L HN -0.555 7.567 8.230 0.025 0.123 0.521 345 N N -4.040 114.683 118.700 0.038 0.000 2.678 345 N HA 0.379 5.135 4.740 0.026 0.000 0.231 345 N C -0.655 174.885 175.510 0.049 0.000 1.038 345 N CA -3.312 49.764 53.050 0.042 0.000 0.932 345 N CB -0.171 38.351 38.487 0.058 0.000 1.176 345 N HN 0.385 8.794 8.380 0.048 0.000 0.511 346 P HA 0.004 4.447 4.420 0.038 0.000 0.230 346 P C -0.013 177.309 177.300 0.037 0.000 1.158 346 P CA 1.209 64.325 63.100 0.028 0.000 0.769 346 P CB 0.044 31.743 31.700 -0.000 0.000 0.807 347 E N -2.937 117.285 120.200 0.038 0.000 2.265 347 E HA -0.182 4.186 4.350 0.031 0.000 0.196 347 E C 0.827 177.455 176.600 0.047 0.000 0.996 347 E CA 1.838 58.260 56.400 0.037 0.000 0.832 347 E CB -0.712 29.008 29.700 0.032 0.000 0.756 347 E HN 0.488 8.823 8.360 0.034 0.046 0.491 348 R N -5.621 114.926 120.500 0.079 0.000 2.556 348 R HA 0.235 4.605 4.340 0.052 0.000 0.276 348 R C -0.891 175.552 176.300 0.237 0.000 0.931 348 R CA 0.031 56.200 56.100 0.115 0.000 1.061 348 R CB 3.044 33.429 30.300 0.142 0.000 1.432 348 R HN -0.147 8.004 8.270 0.083 0.169 0.547 349 V N 1.880 121.914 119.914 0.199 0.000 2.407 349 V HA 0.303 4.605 4.120 0.304 0.000 0.291 349 V C -1.881 174.289 176.094 0.127 0.000 1.018 349 V CA -2.421 60.002 62.300 0.206 0.000 0.842 349 V CB 2.474 34.385 31.823 0.147 0.000 0.996 349 V HN -0.453 7.816 8.190 0.133 0.000 0.426 350 T N 7.202 121.834 114.554 0.130 0.000 2.874 350 T HA 0.497 4.889 4.350 0.070 0.000 0.281 350 T C -0.739 174.018 174.700 0.096 0.000 0.994 350 T CA -2.493 59.663 62.100 0.093 0.000 1.015 350 T CB -0.517 68.403 68.868 0.088 0.000 1.028 350 T HN -0.353 7.987 8.240 0.167 0.000 0.523 351 P HA -0.248 4.223 4.420 0.086 0.000 0.217 351 P C 1.908 179.323 177.300 0.192 0.000 1.151 351 P CA 2.938 66.105 63.100 0.112 0.000 0.849 351 P CB 0.127 31.879 31.700 0.087 0.000 0.787 352 Q N -3.618 116.287 119.800 0.176 0.000 2.119 352 Q HA -0.246 4.282 4.340 0.314 0.000 0.201 352 Q C 2.355 178.504 176.000 0.249 0.000 0.972 352 Q CA 3.694 59.639 55.803 0.237 0.000 0.847 352 Q CB -0.361 28.469 28.738 0.154 0.000 0.903 352 Q HN 0.490 8.820 8.270 0.123 0.014 0.433 353 S N 1.200 117.013 115.700 0.188 0.000 2.357 353 S HA -0.246 4.325 4.470 0.169 0.000 0.221 353 S C 1.881 176.594 174.600 0.188 0.000 1.031 353 S CA 4.258 62.567 58.200 0.182 0.000 0.982 353 S CB -0.193 63.130 63.200 0.206 0.000 0.853 353 S HN -0.625 7.671 8.310 0.167 0.114 0.458 354 L N 1.268 122.599 121.223 0.181 0.000 1.971 354 L HA -0.482 4.057 4.340 0.332 0.000 0.215 354 L C 1.478 178.459 176.870 0.186 0.000 1.072 354 L CA 3.168 58.111 54.840 0.171 0.000 0.758 354 L CB -0.338 41.702 42.059 -0.032 0.000 0.889 354 L HN -0.340 7.983 8.230 0.155 0.000 0.433 355 F N -0.641 119.267 119.950 -0.071 0.000 2.091 355 F HA -0.462 3.895 4.527 -0.283 0.000 0.299 355 F C 2.013 177.732 175.800 -0.135 0.000 1.103 355 F CA 3.405 61.264 58.000 -0.234 0.000 1.228 355 F CB -0.017 38.689 39.000 -0.489 0.000 0.984 355 F HN -0.062 8.273 8.300 0.242 0.111 0.477 356 I N -0.618 119.801 120.570 -0.253 0.000 2.099 356 I HA -0.647 3.087 4.170 -0.727 0.000 0.239 356 I C 2.039 178.012 176.117 -0.240 0.000 1.066 356 I CA 4.190 65.266 61.300 -0.373 0.000 1.324 356 I CB 0.093 38.013 38.000 -0.133 0.000 1.037 356 I HN -0.083 8.167 8.210 0.067 0.000 0.401 357 L N -1.555 119.659 121.223 -0.016 0.000 1.937 357 L HA -0.470 3.805 4.340 -0.109 0.000 0.213 357 L C 2.160 179.060 176.870 0.050 0.000 1.077 357 L CA 3.394 58.263 54.840 0.048 0.000 0.758 357 L CB -0.277 41.937 42.059 0.258 0.000 0.888 357 L HN -0.489 7.786 8.230 0.075 0.000 0.433 358 F N -3.403 116.569 119.950 0.037 0.000 2.192 358 F HA -0.295 4.367 4.527 0.225 0.000 0.301 358 F C 2.610 178.337 175.800 -0.122 0.000 1.079 358 F CA 3.435 61.466 58.000 0.052 0.000 1.303 358 F CB -0.922 38.093 39.000 0.025 0.000 1.024 358 F HN 0.281 8.987 8.300 0.676 0.000 0.494 359 G N -3.153 105.598 108.800 -0.082 0.000 2.572 359 G HA2 -0.166 3.773 3.960 -0.172 0.000 0.216 359 G HA3 -0.166 3.692 3.960 -0.360 -0.114 0.216 359 G C 0.349 175.043 174.900 -0.344 0.000 1.133 359 G CA 1.026 45.982 45.100 -0.241 0.000 0.791 359 G HN -0.230 7.888 8.290 -0.091 0.118 0.538 360 V N 0.264 119.926 119.914 -0.420 0.000 2.446 360 V HA -0.228 3.698 4.120 -0.324 0.000 0.244 360 V C 0.627 176.381 176.094 -0.566 0.000 1.039 360 V CA 2.490 64.505 62.300 -0.475 0.000 1.045 360 V CB 0.198 31.690 31.823 -0.552 0.000 0.681 360 V HN -0.409 7.413 8.190 -0.414 0.120 0.459 361 Y N -4.906 115.205 120.300 -0.316 0.000 2.314 361 Y HA -0.245 4.142 4.550 -0.272 0.000 0.293 361 Y C 1.003 176.579 175.900 -0.541 0.000 1.129 361 Y CA 1.945 59.844 58.100 -0.335 0.000 1.201 361 Y CB 0.434 38.755 38.460 -0.230 0.000 0.999 361 Y HN -0.534 7.371 8.280 -0.626 0.000 0.541 362 G N -6.928 101.568 108.800 -0.506 0.000 4.449 362 G HA2 -0.116 3.570 3.960 -0.722 0.000 0.195 362 G HA3 -0.116 3.725 3.960 -0.198 0.000 0.195 362 G C -2.287 172.438 174.900 -0.292 0.000 0.806 362 G CA 0.220 45.044 45.100 -0.460 0.000 0.774 362 G HN -0.239 7.822 8.290 -0.382 0.000 0.508 363 D N -0.317 119.946 120.400 -0.228 0.000 4.520 363 D HA -0.316 4.315 4.640 -0.016 0.000 0.245 363 D C -1.605 174.734 176.300 0.064 0.000 1.068 363 D CA 0.582 54.564 54.000 -0.030 0.000 1.211 363 D CB -0.106 40.745 40.800 0.086 0.000 0.818 363 D HN -0.184 7.939 8.370 -0.266 0.088 0.392 364 V N -2.075 117.889 119.914 0.084 0.000 2.493 364 V HA -0.198 4.132 4.120 0.102 -0.149 0.292 364 V C -0.212 175.985 176.094 0.171 0.000 1.016 364 V CA 0.356 62.720 62.300 0.106 0.000 1.097 364 V CB -0.797 31.061 31.823 0.059 0.000 0.947 364 V HN 0.443 8.665 8.190 0.053 0.000 0.479 365 Q N 5.169 125.065 119.800 0.161 0.000 2.163 365 Q HA 0.015 4.481 4.340 0.210 0.000 0.198 365 Q C 0.320 176.430 176.000 0.184 0.000 0.954 365 Q CA 1.746 57.654 55.803 0.175 0.000 0.851 365 Q CB 1.180 29.990 28.738 0.121 0.000 0.928 365 Q HN 0.865 9.098 8.270 0.126 0.112 0.459 366 R N -3.576 117.011 120.500 0.146 0.000 2.774 366 R HA 0.716 5.353 4.340 0.163 -0.199 0.272 366 R C -2.047 174.311 176.300 0.096 0.000 1.000 366 R CA -1.166 55.007 56.100 0.122 0.000 0.906 366 R CB 4.991 35.324 30.300 0.054 0.000 1.227 366 R HN -0.232 8.110 8.270 0.120 0.000 0.468 367 V N 1.541 121.505 119.914 0.083 0.000 2.327 367 V HA 0.239 4.338 4.120 -0.035 0.000 0.272 367 V C -2.201 173.888 176.094 -0.008 0.000 1.019 367 V CA -1.233 61.077 62.300 0.016 0.000 0.814 367 V CB 0.480 32.331 31.823 0.047 0.000 1.040 367 V HN 0.290 8.531 8.190 0.086 0.000 0.440 368 K N 8.116 128.502 120.400 -0.023 0.000 2.322 368 K HA 0.272 4.796 4.320 -0.022 -0.217 0.283 368 K C -1.427 175.152 176.600 -0.035 0.000 1.042 368 K CA -0.554 55.716 56.287 -0.028 0.000 0.958 368 K CB 1.095 33.575 32.500 -0.033 0.000 0.984 368 K HN 0.039 8.273 8.250 -0.027 0.000 0.473 369 I N 6.326 126.880 120.570 -0.025 0.000 2.433 369 I HA 0.120 4.393 4.170 -0.048 -0.131 0.292 369 I C -0.755 175.353 176.117 -0.015 0.000 1.001 369 I CA -0.826 60.456 61.300 -0.031 0.000 1.119 369 I CB 1.879 39.866 38.000 -0.021 0.000 1.289 369 I HN 0.447 8.540 8.210 -0.016 0.108 0.438 370 L N 4.552 125.744 121.223 -0.052 0.000 2.022 370 L HA -0.100 4.281 4.340 0.069 0.000 0.204 370 L C -0.210 176.778 176.870 0.196 0.000 1.076 370 L CA 1.197 56.044 54.840 0.012 0.000 0.749 370 L CB 0.403 42.396 42.059 -0.110 0.000 0.903 370 L HN 0.205 8.374 8.230 -0.102 0.000 0.439 371 F N -11.467 108.478 119.950 -0.008 0.000 2.817 371 F HA 0.150 4.672 4.527 -0.008 0.000 0.317 371 F C -0.512 175.288 175.800 0.000 0.000 1.168 371 F CA -1.500 56.497 58.000 -0.005 0.000 0.911 371 F CB 0.082 39.078 39.000 -0.006 0.000 1.337 371 F HN -0.855 7.223 8.300 -0.370 0.000 0.464 372 N N 0.146 118.970 118.700 0.206 0.000 2.430 372 N HA -0.265 4.502 4.740 0.045 0.000 0.186 372 N C 0.187 175.721 175.510 0.041 0.000 1.032 372 N CA 2.566 55.672 53.050 0.093 0.000 0.893 372 N CB -0.225 38.327 38.487 0.108 0.000 0.957 372 N HN 0.334 8.892 8.380 0.296 0.000 0.442 373 K N -4.431 115.990 120.400 0.034 0.000 2.533 373 K HA 0.194 4.679 4.320 -0.032 -0.185 0.202 373 K C -0.067 176.424 176.600 -0.181 0.000 1.096 373 K CA -0.929 55.349 56.287 -0.014 0.000 1.056 373 K CB -0.166 32.389 32.500 0.093 0.000 0.890 373 K HN -0.521 7.771 8.250 0.159 0.054 0.552 374 K N 0.057 120.102 120.400 -0.591 0.000 2.365 374 K HA -0.140 3.895 4.320 -0.475 0.000 0.199 374 K C 0.176 176.597 176.600 -0.299 0.000 1.045 374 K CA 0.291 56.189 56.287 -0.649 0.000 0.962 374 K CB 0.282 32.076 32.500 -1.176 0.000 0.759 374 K HN -0.321 7.415 8.250 -0.679 0.106 0.469 375 E N -5.863 114.214 120.200 -0.204 0.000 2.660 375 E HA -0.331 3.972 4.350 -0.078 0.000 0.260 375 E C -1.893 174.653 176.600 -0.091 0.000 1.122 375 E CA 1.524 57.861 56.400 -0.105 0.000 0.755 375 E CB -2.248 27.415 29.700 -0.062 0.000 1.345 375 E HN 0.148 8.325 8.360 -0.217 0.052 0.421 376 N N -4.155 114.467 118.700 -0.129 0.000 2.416 376 N HA 0.541 5.383 4.740 -0.054 -0.135 0.276 376 N C -2.339 173.119 175.510 -0.088 0.000 1.261 376 N CA -0.129 52.863 53.050 -0.096 0.000 0.790 376 N CB 5.009 43.430 38.487 -0.110 0.000 1.554 376 N HN -0.560 7.677 8.380 -0.191 0.028 0.481 377 A N -0.746 122.042 122.820 -0.054 0.000 2.602 377 A HA 0.729 5.117 4.320 -0.055 -0.101 0.290 377 A C -2.820 174.747 177.584 -0.029 0.000 1.114 377 A CA -1.177 50.830 52.037 -0.050 0.000 0.683 377 A CB 4.114 23.076 19.000 -0.063 0.000 1.281 377 A HN 0.862 8.992 8.150 -0.034 0.000 0.416 378 L N 0.458 121.661 121.223 -0.033 0.000 2.617 378 L HA 0.615 5.146 4.340 0.033 -0.171 0.259 378 L C -2.588 174.272 176.870 -0.017 0.000 0.995 378 L CA -0.007 54.832 54.840 -0.003 0.000 0.899 378 L CB 2.834 44.880 42.059 -0.022 0.000 1.181 378 L HN 0.420 8.620 8.230 -0.051 0.000 0.437 379 V N 5.485 125.387 119.914 -0.020 0.000 2.617 379 V HA 0.347 4.547 4.120 -0.067 -0.120 0.298 379 V C -1.882 174.225 176.094 0.021 0.000 1.048 379 V CA -1.423 60.846 62.300 -0.052 0.000 0.964 379 V CB 2.985 34.702 31.823 -0.177 0.000 1.004 379 V HN 0.908 9.106 8.190 0.014 0.000 0.466 380 Q N 6.618 126.438 119.800 0.034 0.000 2.339 380 Q HA 0.330 4.711 4.340 0.069 0.000 0.268 380 Q C -1.622 174.425 176.000 0.079 0.000 1.027 380 Q CA -1.296 54.545 55.803 0.063 0.000 0.759 380 Q CB 2.370 31.144 28.738 0.060 0.000 1.244 380 Q HN 0.705 8.988 8.270 0.022 0.000 0.464 381 M N 4.781 124.434 119.600 0.087 0.000 2.649 381 M HA 0.441 5.135 4.480 0.098 -0.156 0.294 381 M C 0.056 176.407 176.300 0.084 0.000 1.206 381 M CA -1.018 54.337 55.300 0.093 0.000 0.928 381 M CB 2.509 35.171 32.600 0.104 0.000 1.571 381 M HN 0.542 8.779 8.290 0.085 0.104 0.501 382 A N -0.766 122.103 122.820 0.081 0.000 1.933 382 A HA -0.192 4.189 4.320 0.101 0.000 0.218 382 A C -0.148 177.491 177.584 0.092 0.000 1.175 382 A CA 1.870 53.964 52.037 0.096 0.000 0.628 382 A CB 0.350 19.419 19.000 0.115 0.000 0.814 382 A HN 0.198 8.389 8.150 0.067 0.000 0.444 383 D N -5.422 115.027 120.400 0.081 0.000 2.623 383 D HA 0.136 4.815 4.640 0.065 0.000 0.241 383 D C 0.697 177.029 176.300 0.053 0.000 1.241 383 D CA -0.655 53.388 54.000 0.072 0.000 0.788 383 D CB 2.239 43.092 40.800 0.090 0.000 1.413 383 D HN -0.740 7.673 8.370 0.071 0.000 0.429 384 G N 0.616 109.440 108.800 0.039 0.000 2.450 384 G HA2 -0.413 3.562 3.960 0.024 0.000 0.220 384 G HA3 -0.413 3.557 3.960 0.016 0.000 0.220 384 G C 0.735 175.642 174.900 0.011 0.000 1.130 384 G CA 2.647 47.761 45.100 0.023 0.000 0.760 384 G HN 0.363 8.677 8.290 0.039 0.000 0.557 385 N N 0.014 118.724 118.700 0.017 0.000 2.216 385 N HA -0.280 4.452 4.740 -0.013 0.000 0.183 385 N C 1.944 177.463 175.510 0.015 0.000 1.017 385 N CA 2.972 56.026 53.050 0.006 0.000 0.861 385 N CB -0.127 38.362 38.487 0.003 0.000 0.986 385 N HN 0.132 8.902 8.380 0.027 -0.374 0.428 386 Q N 0.747 120.574 119.800 0.044 0.000 2.123 386 Q HA -0.308 4.056 4.340 0.039 0.000 0.199 386 Q C 2.065 178.059 176.000 -0.009 0.000 0.966 386 Q CA 3.081 58.901 55.803 0.028 0.000 0.845 386 Q CB -0.052 28.705 28.738 0.031 0.000 0.907 386 Q HN -0.314 7.991 8.270 0.058 0.000 0.439 387 A N -0.115 122.711 122.820 0.010 0.000 1.940 387 A HA -0.226 4.114 4.320 0.033 0.000 0.219 387 A C 2.216 179.773 177.584 -0.045 0.000 1.176 387 A CA 2.920 54.964 52.037 0.011 0.000 0.631 387 A CB -0.715 18.309 19.000 0.039 0.000 0.814 387 A HN 0.480 8.646 8.150 0.026 0.000 0.446 388 Q N -0.854 118.914 119.800 -0.053 0.000 2.061 388 Q HA -0.267 4.016 4.340 -0.096 0.000 0.204 388 Q C 2.502 178.407 176.000 -0.157 0.000 0.984 388 Q CA 3.232 58.980 55.803 -0.092 0.000 0.846 388 Q CB -0.372 28.323 28.738 -0.072 0.000 0.902 388 Q HN -0.358 7.821 8.270 -0.029 0.073 0.421 389 L N -0.595 120.545 121.223 -0.138 0.000 2.056 389 L HA -0.349 3.826 4.340 -0.275 0.000 0.207 389 L C 1.296 177.984 176.870 -0.304 0.000 1.078 389 L CA 3.057 57.782 54.840 -0.190 0.000 0.749 389 L CB -0.339 41.694 42.059 -0.044 0.000 0.901 389 L HN -0.302 7.880 8.230 -0.080 0.000 0.433 390 A N -0.889 121.774 122.820 -0.260 0.000 1.883 390 A HA -0.461 3.438 4.320 -0.702 0.000 0.217 390 A C 1.651 178.895 177.584 -0.567 0.000 1.186 390 A CA 3.235 54.995 52.037 -0.462 0.000 0.624 390 A CB -0.717 18.113 19.000 -0.284 0.000 0.822 390 A HN 0.003 8.065 8.150 -0.147 0.000 0.444 391 M N -1.850 117.535 119.600 -0.358 0.000 2.082 391 M HA -0.497 3.812 4.480 -0.285 0.000 0.258 391 M C 2.097 178.190 176.300 -0.345 0.000 1.069 391 M CA 3.833 58.958 55.300 -0.291 0.000 1.102 391 M CB 0.055 32.555 32.600 -0.167 0.000 1.336 391 M HN 0.250 8.390 8.290 -0.249 0.000 0.404 392 S N -0.721 114.737 115.700 -0.403 0.000 2.399 392 S HA -0.276 3.991 4.470 -0.339 0.000 0.231 392 S C 1.669 175.912 174.600 -0.595 0.000 1.022 392 S CA 3.383 61.298 58.200 -0.476 0.000 0.983 392 S CB -0.072 62.800 63.200 -0.548 0.000 0.803 392 S HN -0.011 8.002 8.310 -0.375 0.072 0.480 393 H N -2.629 116.118 119.070 -0.539 0.000 2.562 393 H HA 0.071 4.367 4.556 -0.432 0.000 0.267 393 H C 0.332 175.251 175.328 -0.681 0.000 0.959 393 H CA 1.761 57.419 56.048 -0.650 0.000 1.204 393 H CB 1.132 30.249 29.762 -1.076 0.000 1.430 393 H HN -0.366 7.461 8.280 -0.756 0.000 0.545 394 L N -4.615 116.274 121.223 -0.556 0.000 2.781 394 L HA 0.188 4.146 4.340 -0.637 0.000 0.245 394 L C -0.464 176.271 176.870 -0.225 0.000 1.118 394 L CA -0.223 54.311 54.840 -0.510 0.000 0.918 394 L CB 1.232 42.885 42.059 -0.677 0.000 1.246 394 L HN -0.194 7.594 8.230 -0.574 0.097 0.526 395 N N 0.333 118.917 118.700 -0.194 0.000 2.400 395 N HA -0.177 4.528 4.740 -0.059 0.000 0.267 395 N C 0.746 176.227 175.510 -0.048 0.000 1.208 395 N CA 1.430 54.423 53.050 -0.096 0.000 0.951 395 N CB -0.841 37.583 38.487 -0.105 0.000 1.227 395 N HN -0.219 8.005 8.380 -0.259 0.000 0.488 396 G N 5.945 114.744 108.800 -0.000 0.000 2.163 396 G HA2 -0.338 3.704 3.960 0.019 0.000 0.213 396 G HA3 -0.338 3.627 3.960 0.009 0.000 0.213 396 G C -0.415 174.530 174.900 0.076 0.000 0.991 396 G CA -0.135 44.980 45.100 0.024 0.000 0.653 396 G HN 0.185 8.383 8.290 0.010 0.098 0.518 397 H N 1.865 120.911 119.070 -0.039 0.000 2.848 397 H HA -0.021 4.514 4.556 -0.035 0.000 0.341 397 H C -0.460 174.855 175.328 -0.023 0.000 1.060 397 H CA 0.660 56.688 56.048 -0.033 0.000 1.444 397 H CB 1.557 31.297 29.762 -0.036 0.000 1.446 397 H HN -0.582 7.780 8.280 0.137 0.000 0.583 398 K N 7.124 127.383 120.400 -0.234 0.000 2.220 398 K HA -0.085 4.170 4.320 -0.107 0.000 0.283 398 K C -1.492 174.931 176.600 -0.295 0.000 1.098 398 K CA -0.244 55.918 56.287 -0.209 0.000 0.928 398 K CB -1.480 30.931 32.500 -0.148 0.000 1.214 398 K HN 0.338 8.387 8.250 -0.336 0.000 0.442 399 L N -0.691 120.408 121.223 -0.207 0.000 2.464 399 L HA 0.476 4.693 4.340 -0.206 0.000 0.266 399 L C 0.184 176.956 176.870 -0.163 0.000 0.965 399 L CA -0.320 54.352 54.840 -0.280 0.000 0.833 399 L CB 2.454 44.239 42.059 -0.457 0.000 1.296 399 L HN -0.441 7.712 8.230 -0.128 0.000 0.405 400 H N -0.922 118.150 119.070 0.002 0.000 4.218 400 H HA -0.482 4.077 4.556 0.006 0.000 0.175 400 H C -0.062 175.271 175.328 0.009 0.000 0.884 400 H CA 1.549 57.603 56.048 0.010 0.000 1.231 400 H CB -1.067 28.709 29.762 0.023 0.000 1.025 400 H HN 0.685 9.229 8.280 0.169 -0.163 0.371 401 G N -2.630 106.227 108.800 0.095 0.000 3.979 401 G HA2 -0.102 3.887 3.960 0.047 0.000 0.113 401 G HA3 -0.102 3.949 3.960 0.062 -0.053 0.113 401 G C -1.552 173.366 174.900 0.030 0.000 1.904 401 G CA 0.217 45.351 45.100 0.056 0.000 0.982 401 G HN -0.058 8.138 8.290 0.056 0.128 0.300 402 K N 2.701 123.119 120.400 0.029 0.000 2.218 402 K HA 0.375 4.705 4.320 0.017 0.000 0.276 402 K C -2.152 174.456 176.600 0.013 0.000 1.022 402 K CA -1.924 54.375 56.287 0.020 0.000 0.946 402 K CB 0.341 32.855 32.500 0.024 0.000 1.000 402 K HN 0.097 8.782 8.250 0.042 -0.410 0.468 403 P HA -0.030 4.597 4.420 0.014 -0.199 0.276 403 P C -0.504 176.814 177.300 0.030 0.000 1.243 403 P CA -0.794 62.317 63.100 0.017 0.000 0.768 403 P CB 0.574 32.281 31.700 0.011 0.000 0.856 404 I N 5.352 125.953 120.570 0.052 0.000 2.813 404 I HA -0.174 4.031 4.170 0.059 0.000 0.287 404 I C -0.488 175.655 176.117 0.043 0.000 1.196 404 I CA 0.859 62.198 61.300 0.064 0.000 1.421 404 I CB 0.722 38.786 38.000 0.106 0.000 1.365 404 I HN -0.075 8.174 8.210 0.064 0.000 0.591 405 R N 4.813 125.338 120.500 0.040 0.000 2.740 405 R HA 0.688 5.190 4.340 0.012 -0.155 0.282 405 R C -1.753 174.569 176.300 0.037 0.000 0.969 405 R CA -1.806 54.309 56.100 0.024 0.000 0.918 405 R CB 3.980 34.289 30.300 0.016 0.000 1.175 405 R HN 0.614 8.914 8.270 0.050 0.000 0.464 406 I N 3.458 124.040 120.570 0.019 0.000 2.802 406 I HA 0.998 5.427 4.170 0.060 -0.224 0.298 406 I C -0.854 175.268 176.117 0.008 0.000 1.176 406 I CA -1.434 59.884 61.300 0.030 0.000 1.025 406 I CB 4.536 42.547 38.000 0.018 0.000 1.243 406 I HN 0.060 8.460 8.210 0.000 -0.189 0.424 407 T N 3.107 117.673 114.554 0.018 0.000 2.787 407 T HA 0.388 4.729 4.350 -0.014 0.000 0.297 407 T C -0.661 174.044 174.700 0.009 0.000 1.221 407 T CA -2.031 60.070 62.100 0.001 0.000 1.006 407 T CB 2.414 71.279 68.868 -0.005 0.000 1.328 407 T HN 0.357 8.622 8.240 0.041 0.000 0.509 408 L N 3.496 124.715 121.223 -0.007 0.000 2.700 408 L HA -0.018 4.325 4.340 0.005 0.000 0.240 408 L C -0.999 175.868 176.870 -0.006 0.000 1.162 408 L CA -0.001 54.836 54.840 -0.005 0.000 0.874 408 L CB -0.180 41.867 42.059 -0.019 0.000 1.001 408 L HN 0.461 8.681 8.230 -0.017 0.000 0.447 409 S N -4.287 111.409 115.700 -0.008 0.000 3.585 409 S HA -0.360 4.097 4.470 -0.022 0.000 0.638 409 S C -0.429 174.103 174.600 -0.114 0.000 2.340 409 S CA 1.517 59.698 58.200 -0.031 0.000 2.517 409 S CB 0.315 63.533 63.200 0.030 0.000 0.329 409 S HN 0.018 8.204 8.310 0.001 0.125 1.795 410 K N -1.793 118.443 120.400 -0.274 0.000 2.562 410 K HA 0.240 4.443 4.320 -0.194 0.000 0.218 410 K C -0.782 175.568 176.600 -0.418 0.000 1.374 410 K CA -0.697 55.377 56.287 -0.355 0.000 0.996 410 K CB 1.433 33.700 32.500 -0.388 0.000 1.127 410 K HN 0.178 8.227 8.250 -0.335 0.000 0.603 411 H N 1.293 120.371 119.070 0.013 0.000 2.423 411 H HA 0.156 4.720 4.556 0.014 0.000 0.309 411 H C -0.092 175.246 175.328 0.017 0.000 1.584 411 H CA 0.344 56.401 56.048 0.015 0.000 1.504 411 H CB 1.087 30.858 29.762 0.015 0.000 1.740 411 H HN -0.593 7.411 8.280 -0.459 0.000 0.744 412 Q N -1.982 117.913 119.800 0.158 0.000 2.451 412 Q HA 0.086 4.637 4.340 0.079 -0.164 0.216 412 Q C -1.762 174.285 176.000 0.079 0.000 0.746 412 Q CA 0.286 56.144 55.803 0.090 0.000 0.940 412 Q CB 2.332 31.108 28.738 0.063 0.000 1.311 412 Q HN 0.241 8.634 8.270 0.206 0.000 0.481 413 N N -3.332 115.412 118.700 0.073 0.000 2.405 413 N HA 0.314 5.276 4.740 0.049 -0.193 0.285 413 N C -1.102 174.424 175.510 0.027 0.000 1.262 413 N CA -0.901 52.178 53.050 0.048 0.000 0.773 413 N CB 3.692 42.202 38.487 0.038 0.000 1.490 413 N HN -0.553 7.878 8.380 0.085 0.000 0.486 414 V N 0.420 120.342 119.914 0.013 0.000 2.769 414 V HA 0.365 4.471 4.120 -0.022 0.000 0.312 414 V C 0.036 176.127 176.094 -0.005 0.000 1.061 414 V CA -2.232 60.063 62.300 -0.008 0.000 0.931 414 V CB 2.144 33.956 31.823 -0.017 0.000 1.010 414 V HN 0.025 8.403 8.190 0.022 -0.175 0.433 415 Q N 3.728 123.520 119.800 -0.013 0.000 2.224 415 Q HA -0.171 4.166 4.340 -0.004 0.000 0.203 415 Q C 0.154 176.148 176.000 -0.011 0.000 0.970 415 Q CA 1.078 56.875 55.803 -0.010 0.000 0.865 415 Q CB -0.244 28.486 28.738 -0.013 0.000 0.922 415 Q HN 0.185 8.441 8.270 -0.022 0.000 0.445 416 L N 0.453 121.667 121.223 -0.016 0.000 3.040 416 L HA -0.288 4.036 4.340 -0.026 0.000 0.594 416 L C -1.936 174.921 176.870 -0.022 0.000 1.002 416 L CA -0.169 54.658 54.840 -0.022 0.000 1.305 416 L CB -0.144 41.901 42.059 -0.023 0.000 1.539 416 L HN -0.247 7.940 8.230 -0.017 0.033 0.746 417 P HA -0.156 4.253 4.420 -0.018 0.000 0.209 417 P C -0.475 176.812 177.300 -0.022 0.000 1.167 417 P CA 1.320 64.407 63.100 -0.022 0.000 0.941 417 P CB 0.451 32.137 31.700 -0.023 0.000 0.787 418 R N -5.034 115.450 120.500 -0.026 0.000 2.766 418 R HA 0.196 4.523 4.340 -0.022 0.000 0.270 418 R C 0.663 176.945 176.300 -0.031 0.000 1.035 418 R CA -1.233 54.851 56.100 -0.025 0.000 0.911 418 R CB 2.019 32.305 30.300 -0.024 0.000 1.243 418 R HN -0.276 7.976 8.270 -0.030 0.000 0.460 419 E N 0.423 120.606 120.200 -0.028 0.000 2.338 419 E HA -0.142 4.188 4.350 -0.033 0.000 0.197 419 E C 0.120 176.697 176.600 -0.038 0.000 1.007 419 E CA 1.663 58.044 56.400 -0.031 0.000 0.849 419 E CB -0.005 29.680 29.700 -0.025 0.000 0.774 419 E HN 0.435 8.780 8.360 -0.024 0.000 0.506 420 G N -2.385 106.392 108.800 -0.038 0.000 5.068 420 G HA2 -0.016 3.913 3.960 -0.051 0.000 0.218 420 G HA3 -0.016 3.921 3.960 -0.039 0.000 0.218 420 G C -1.898 172.979 174.900 -0.039 0.000 0.891 420 G CA -0.145 44.930 45.100 -0.042 0.000 0.776 420 G HN -0.357 7.865 8.290 -0.034 0.048 0.284 421 Q N -0.839 118.938 119.800 -0.037 0.000 2.304 421 Q HA 0.204 4.525 4.340 -0.032 0.000 0.270 421 Q C -0.123 175.857 176.000 -0.033 0.000 1.035 421 Q CA -0.877 54.907 55.803 -0.032 0.000 0.781 421 Q CB 2.523 31.246 28.738 -0.026 0.000 1.261 421 Q HN -0.745 7.532 8.270 -0.038 -0.030 0.444 422 E N 2.036 122.217 120.200 -0.031 0.000 4.586 422 E HA -0.508 3.828 4.350 -0.022 0.000 0.271 422 E C 0.742 177.322 176.600 -0.035 0.000 0.767 422 E CA 2.861 59.245 56.400 -0.026 0.000 1.491 422 E CB -2.115 27.575 29.700 -0.018 0.000 1.758 422 E HN 0.803 9.146 8.360 -0.029 0.000 0.398 423 D N -1.517 118.855 120.400 -0.046 0.000 2.271 423 D HA -0.414 4.290 4.640 -0.063 -0.102 0.207 423 D C 1.092 177.339 176.300 -0.088 0.000 0.983 423 D CA 3.010 56.970 54.000 -0.067 0.000 0.878 423 D CB -0.720 40.037 40.800 -0.072 0.000 0.920 423 D HN 0.187 8.409 8.370 -0.043 0.122 0.479 424 Q N -2.194 117.562 119.800 -0.073 0.000 2.297 424 Q HA -0.216 4.065 4.340 -0.098 0.000 0.208 424 Q C 1.890 177.847 176.000 -0.072 0.000 0.981 424 Q CA 2.291 58.048 55.803 -0.077 0.000 0.876 424 Q CB -0.294 28.410 28.738 -0.056 0.000 0.921 424 Q HN 0.369 8.625 8.270 -0.059 -0.022 0.446 425 G N -5.066 103.702 108.800 -0.054 0.000 3.258 425 G HA2 0.142 4.072 3.960 -0.049 0.000 0.175 425 G HA3 0.142 4.087 3.960 -0.025 0.000 0.175 425 G C -0.101 174.784 174.900 -0.024 0.000 1.261 425 G CA 0.648 45.725 45.100 -0.039 0.000 0.881 425 G HN -0.442 7.789 8.290 -0.048 0.031 0.851 426 L N -0.719 120.491 121.223 -0.022 0.000 2.817 426 L HA 0.341 4.678 4.340 -0.005 0.000 0.248 426 L C -1.077 175.783 176.870 -0.017 0.000 1.133 426 L CA 0.391 55.226 54.840 -0.008 0.000 0.935 426 L CB 2.189 44.256 42.059 0.013 0.000 1.266 426 L HN 0.031 8.244 8.230 -0.028 0.000 0.535 427 T N -0.062 114.472 114.554 -0.034 0.000 3.734 427 T HA 0.179 4.648 4.350 -0.029 -0.136 0.238 427 T C -1.495 173.165 174.700 -0.068 0.000 1.205 427 T CA -0.630 61.447 62.100 -0.039 0.000 1.606 427 T CB -0.454 68.394 68.868 -0.033 0.000 0.832 427 T HN -0.761 7.453 8.240 -0.044 0.000 0.655 428 K N 4.893 125.243 120.400 -0.084 0.000 2.395 428 K HA -0.139 4.202 4.320 -0.230 -0.160 0.283 428 K C -0.720 175.751 176.600 -0.215 0.000 1.068 428 K CA -0.309 55.862 56.287 -0.194 0.000 1.039 428 K CB 0.241 32.628 32.500 -0.187 0.000 0.924 428 K HN -0.570 7.649 8.250 -0.051 0.000 0.468 429 D N 6.517 126.760 120.400 -0.263 0.000 2.344 429 D HA -0.014 4.579 4.640 -0.078 0.000 0.253 429 D C -0.417 175.688 176.300 -0.325 0.000 1.255 429 D CA 0.035 53.920 54.000 -0.192 0.000 0.894 429 D CB 0.152 40.873 40.800 -0.131 0.000 1.067 429 D HN 0.290 8.501 8.370 -0.265 0.000 0.492 430 Y N 5.282 125.557 120.300 -0.042 0.000 2.485 430 Y HA 0.095 4.604 4.550 -0.069 0.000 0.260 430 Y C 1.158 177.082 175.900 0.039 0.000 1.173 430 Y CA -0.185 57.904 58.100 -0.018 0.000 1.252 430 Y CB 0.313 38.790 38.460 0.028 0.000 1.123 430 Y HN 0.170 8.522 8.280 0.120 0.000 0.524 431 G N 0.204 109.084 108.800 0.133 0.000 2.479 431 G HA2 -0.356 3.679 3.960 0.125 0.000 0.220 431 G HA3 -0.356 3.646 3.960 0.070 0.000 0.220 431 G C -1.082 173.871 174.900 0.089 0.000 1.115 431 G CA 1.601 46.763 45.100 0.103 0.000 0.757 431 G HN -0.393 8.166 8.290 0.077 -0.223 0.560 432 N N -2.128 116.614 118.700 0.071 0.000 2.765 432 N HA 0.006 4.797 4.740 0.085 0.000 0.277 432 N C -1.060 174.496 175.510 0.078 0.000 1.750 432 N CA -0.601 52.488 53.050 0.066 0.000 0.827 432 N CB -0.355 38.150 38.487 0.029 0.000 1.200 432 N HN -0.456 7.914 8.380 0.049 0.039 0.494 433 S N 1.556 117.359 115.700 0.170 0.000 2.558 433 S HA -0.010 4.595 4.470 0.225 0.000 0.287 433 S C 0.295 174.987 174.600 0.153 0.000 1.321 433 S CA -1.477 56.868 58.200 0.242 0.000 1.048 433 S CB 0.686 64.139 63.200 0.421 0.000 0.844 433 S HN -0.443 7.989 8.310 0.204 0.000 0.512 434 P HA 0.029 4.482 4.420 0.055 0.000 0.229 434 P C -0.950 176.425 177.300 0.125 0.000 1.160 434 P CA 1.192 64.336 63.100 0.074 0.000 0.777 434 P CB 0.704 32.410 31.700 0.011 0.000 0.814 435 L N -9.510 111.841 121.223 0.213 0.000 3.927 435 L HA 0.343 4.816 4.340 0.221 0.000 0.374 435 L C -1.827 175.278 176.870 0.392 0.000 1.168 435 L CA 0.219 55.205 54.840 0.244 0.000 1.318 435 L CB 0.663 42.808 42.059 0.145 0.000 1.640 435 L HN -0.710 7.649 8.230 0.285 0.042 0.634 436 H N 0.320 119.537 119.070 0.245 0.000 2.637 436 H HA 0.487 5.074 4.556 0.051 0.000 0.363 436 H C -1.427 173.983 175.328 0.137 0.000 1.131 436 H CA -0.646 55.477 56.048 0.126 0.000 1.183 436 H CB 2.805 32.548 29.762 -0.032 0.000 1.637 436 H HN -0.335 8.243 8.280 0.497 0.000 0.531 437 R N 0.098 120.662 120.500 0.107 0.000 2.663 437 R HA 0.103 4.872 4.340 0.184 -0.319 0.267 437 R C -2.576 173.702 176.300 -0.038 0.000 1.038 437 R CA -0.773 55.382 56.100 0.092 0.000 0.886 437 R CB 2.747 33.085 30.300 0.064 0.000 1.249 437 R HN 0.090 8.330 8.270 -0.051 0.000 0.463 438 F N 1.118 121.012 119.950 -0.094 0.000 2.631 438 F HA 0.194 4.607 4.527 -0.191 0.000 0.328 438 F C -1.052 174.738 175.800 -0.016 0.000 1.067 438 F CA -0.965 56.948 58.000 -0.145 0.000 0.969 438 F CB 3.588 42.425 39.000 -0.271 0.000 1.332 438 F HN 0.150 8.909 8.300 0.249 -0.310 0.490 439 K N -0.123 120.411 120.400 0.222 0.000 2.149 439 K HA 0.269 4.703 4.320 0.190 0.000 0.241 439 K C -1.057 175.781 176.600 0.396 0.000 1.083 439 K CA -1.648 54.787 56.287 0.246 0.000 0.885 439 K CB 2.353 34.952 32.500 0.165 0.000 1.374 439 K HN -0.053 8.332 8.250 0.225 0.000 0.511 440 K N 0.741 121.304 120.400 0.271 0.000 2.380 440 K HA 0.070 4.522 4.320 0.219 0.000 0.267 440 K C -1.455 175.230 176.600 0.142 0.000 0.990 440 K CA -0.922 55.487 56.287 0.204 0.000 0.946 440 K CB -0.877 31.679 32.500 0.094 0.000 0.937 440 K HN 0.131 8.497 8.250 0.192 0.000 0.491 441 P HA -0.245 3.119 4.420 -1.761 0.000 0.269 441 P C 0.585 177.668 177.300 -0.362 0.000 1.211 441 P CA 1.123 63.812 63.100 -0.685 0.000 0.781 441 P CB 0.108 31.510 31.700 -0.496 0.000 0.877 442 G N 0.924 109.482 108.800 -0.402 0.000 2.225 442 G HA2 -0.328 3.551 3.960 -0.135 0.000 0.254 442 G HA3 -0.328 3.568 3.960 -0.106 0.000 0.254 442 G C -0.306 174.584 174.900 -0.018 0.000 0.988 442 G CA -0.294 44.717 45.100 -0.148 0.000 0.625 442 G HN 0.271 8.144 8.290 -0.695 0.000 0.527 443 S N 0.517 116.263 115.700 0.076 0.000 2.584 443 S HA 0.032 4.562 4.470 0.101 0.000 0.270 443 S C 1.532 176.261 174.600 0.214 0.000 1.346 443 S CA -0.840 57.467 58.200 0.178 0.000 1.018 443 S CB 0.717 64.076 63.200 0.264 0.000 0.899 443 S HN -0.562 7.673 8.310 0.029 0.092 0.542 444 K N 4.813 125.281 120.400 0.114 0.000 2.281 444 K HA -0.292 4.085 4.320 0.095 0.000 0.203 444 K C 2.264 178.892 176.600 0.047 0.000 1.046 444 K CA 2.625 58.959 56.287 0.078 0.000 0.938 444 K CB -0.203 32.316 32.500 0.030 0.000 0.737 444 K HN 0.486 8.784 8.250 0.079 0.000 0.458 445 N N -0.113 118.574 118.700 -0.021 0.000 2.272 445 N HA -0.240 4.254 4.740 -0.409 0.000 0.185 445 N C 1.241 176.568 175.510 -0.305 0.000 1.014 445 N CA 2.768 55.596 53.050 -0.370 0.000 0.870 445 N CB 0.219 38.297 38.487 -0.682 0.000 0.975 445 N HN -0.610 7.745 8.380 0.041 0.049 0.433 446 F N -3.241 116.746 119.950 0.061 0.000 2.743 446 F HA -0.016 4.763 4.527 0.420 0.000 0.297 446 F C 1.481 177.346 175.800 0.108 0.000 1.131 446 F CA 1.304 59.427 58.000 0.206 0.000 1.426 446 F CB 0.037 39.136 39.000 0.165 0.000 1.116 446 F HN -0.713 7.868 8.300 0.529 0.036 0.583 447 Q N 0.743 120.676 119.800 0.222 0.000 2.291 447 Q HA -0.435 4.017 4.340 0.188 0.000 0.206 447 Q C 0.155 176.288 176.000 0.222 0.000 0.976 447 Q CA 3.548 59.459 55.803 0.181 0.000 0.875 447 Q CB 0.058 28.869 28.738 0.122 0.000 0.927 447 Q HN -0.387 7.829 8.270 0.184 0.165 0.450 448 N N -4.924 113.896 118.700 0.199 0.000 2.187 448 N HA 0.030 5.028 4.740 0.431 0.000 0.212 448 N C -0.736 174.942 175.510 0.281 0.000 1.152 448 N CA -0.633 52.580 53.050 0.273 0.000 0.872 448 N CB 0.433 39.003 38.487 0.138 0.000 1.025 448 N HN -0.085 8.346 8.380 0.143 0.035 0.514 449 I N 2.947 123.573 120.570 0.093 0.000 2.505 449 I HA -0.323 3.867 4.170 0.034 0.000 0.287 449 I C -1.352 174.487 176.117 -0.463 0.000 1.104 449 I CA 1.419 62.693 61.300 -0.044 0.000 1.387 449 I CB -1.121 36.873 38.000 -0.011 0.000 1.404 449 I HN -0.803 7.469 8.210 0.103 0.000 0.528 450 F N 8.270 128.300 119.950 0.134 0.000 2.546 450 F HA 0.360 4.946 4.527 0.098 0.000 0.320 450 F C -2.517 173.307 175.800 0.040 0.000 1.076 450 F CA -3.395 54.681 58.000 0.127 0.000 0.928 450 F CB 2.330 41.432 39.000 0.170 0.000 1.189 450 F HN -0.226 8.196 8.300 0.205 0.000 0.465 451 P HA 0.063 4.144 4.420 -0.565 0.000 0.267 451 P C -2.252 174.738 177.300 -0.517 0.000 1.200 451 P CA -0.993 61.959 63.100 -0.246 0.000 0.772 451 P CB -0.366 31.322 31.700 -0.019 0.000 0.855 452 P HA -0.113 2.242 4.420 -3.441 0.000 0.255 452 P C -1.727 175.164 177.300 -0.683 0.000 1.173 452 P CA 1.366 63.649 63.100 -1.361 0.000 0.780 452 P CB -0.170 31.194 31.700 -0.561 0.000 0.758 453 S N 4.185 119.526 115.700 -0.598 0.000 2.627 453 S HA 0.158 4.583 4.470 -0.076 0.000 0.283 453 S C -0.358 174.310 174.600 0.113 0.000 1.127 453 S CA -1.547 56.603 58.200 -0.083 0.000 0.863 453 S CB 2.735 65.958 63.200 0.038 0.000 1.121 453 S HN -0.444 7.178 8.310 -1.147 0.000 0.479 454 A N -0.376 122.500 122.820 0.095 0.000 2.216 454 A HA -0.094 4.439 4.320 0.135 -0.133 0.214 454 A C -0.784 176.871 177.584 0.118 0.000 1.160 454 A CA 1.457 53.560 52.037 0.111 0.000 0.725 454 A CB 0.513 19.552 19.000 0.064 0.000 0.784 454 A HN 0.203 8.386 8.150 0.055 0.000 0.472 455 T N -0.573 114.063 114.554 0.136 0.000 2.823 455 T HA 0.402 4.866 4.350 0.029 -0.096 0.279 455 T C -1.450 173.320 174.700 0.118 0.000 0.998 455 T CA -0.461 61.688 62.100 0.083 0.000 0.994 455 T CB 2.223 71.122 68.868 0.052 0.000 0.960 455 T HN -0.867 7.389 8.240 0.161 0.081 0.448 456 L N 4.022 125.238 121.223 -0.011 0.000 2.354 456 L HA 0.569 5.030 4.340 -0.019 -0.132 0.264 456 L C -2.028 174.744 176.870 -0.162 0.000 1.008 456 L CA -1.224 53.564 54.840 -0.086 0.000 0.819 456 L CB 3.173 45.122 42.059 -0.183 0.000 1.339 456 L HN 1.161 9.233 8.230 -0.082 0.109 0.420 457 H N 3.825 122.760 119.070 -0.226 0.000 2.658 457 H HA 0.559 5.030 4.556 -0.365 -0.134 0.337 457 H C -2.146 173.006 175.328 -0.294 0.000 1.009 457 H CA -1.521 54.361 56.048 -0.276 0.000 1.231 457 H CB 3.048 32.702 29.762 -0.180 0.000 1.508 457 H HN 0.959 9.074 8.280 -0.087 0.113 0.517 458 L N 7.454 128.070 121.223 -1.011 0.000 2.386 458 L HA 0.809 5.065 4.340 -0.415 -0.164 0.271 458 L C -1.388 175.105 176.870 -0.628 0.000 0.993 458 L CA -0.924 53.537 54.840 -0.632 0.000 0.819 458 L CB 3.479 45.202 42.059 -0.560 0.000 1.294 458 L HN 0.886 8.319 8.230 -1.329 0.000 0.414 459 S N 0.114 115.601 115.700 -0.354 0.000 2.651 459 S HA 0.656 5.128 4.470 -0.231 -0.141 0.279 459 S C -0.506 173.996 174.600 -0.163 0.000 1.148 459 S CA -1.348 56.723 58.200 -0.216 0.000 0.837 459 S CB 3.313 66.464 63.200 -0.082 0.000 1.138 459 S HN 0.650 8.673 8.310 -0.303 0.105 0.478 460 N N -0.359 118.280 118.700 -0.103 0.000 2.828 460 N HA -0.422 4.292 4.740 -0.044 0.000 0.248 460 N C -0.962 174.515 175.510 -0.054 0.000 1.044 460 N CA 1.324 54.317 53.050 -0.094 0.000 0.851 460 N CB -0.351 38.014 38.487 -0.204 0.000 1.136 460 N HN 0.213 8.552 8.380 -0.069 0.000 0.572 461 I N -0.441 120.103 120.570 -0.042 0.000 2.664 461 I HA -0.052 4.127 4.170 0.014 0.000 0.284 461 I C -2.063 174.086 176.117 0.052 0.000 1.154 461 I CA -0.335 60.972 61.300 0.010 0.000 1.402 461 I CB -0.518 37.478 38.000 -0.007 0.000 1.395 461 I HN -0.492 7.606 8.210 -0.075 0.067 0.545 462 P HA 0.428 4.815 4.420 -0.056 0.000 0.276 462 P C -0.985 176.292 177.300 -0.037 0.000 1.252 462 P CA -1.926 61.134 63.100 -0.066 0.000 0.802 462 P CB -0.352 31.205 31.700 -0.239 0.000 1.035 463 P HA -0.064 4.339 4.420 -0.027 0.000 0.223 463 P C -0.165 177.101 177.300 -0.056 0.000 1.144 463 P CA 1.525 64.591 63.100 -0.057 0.000 0.783 463 P CB -0.064 31.595 31.700 -0.068 0.000 0.771 464 S N -2.708 112.945 115.700 -0.079 0.000 2.507 464 S HA -0.111 4.333 4.470 -0.042 0.000 0.235 464 S C -0.270 174.335 174.600 0.008 0.000 0.988 464 S CA 1.244 59.417 58.200 -0.044 0.000 0.944 464 S CB 0.063 63.226 63.200 -0.061 0.000 0.762 464 S HN 0.241 8.415 8.310 -0.146 0.048 0.526 465 V N -4.523 115.413 119.914 0.037 0.000 3.074 465 V HA 0.598 4.899 4.120 0.065 -0.141 0.314 465 V C -1.740 174.405 176.094 0.085 0.000 1.117 465 V CA -3.138 59.211 62.300 0.081 0.000 1.014 465 V CB 3.245 35.146 31.823 0.131 0.000 1.057 465 V HN -0.839 7.299 8.190 0.031 0.070 0.438 466 S N -0.465 115.295 115.700 0.101 0.000 2.811 466 S HA 0.386 4.812 4.470 -0.073 0.000 0.311 466 S C 0.247 174.991 174.600 0.241 0.000 1.152 466 S CA -1.355 56.873 58.200 0.047 0.000 0.864 466 S CB 3.165 66.332 63.200 -0.054 0.000 1.226 466 S HN -0.307 8.265 8.310 0.111 -0.195 0.541 467 E N 0.951 121.250 120.200 0.164 0.000 2.086 467 E HA -0.409 4.224 4.350 0.471 0.000 0.200 467 E C 1.719 178.445 176.600 0.209 0.000 1.012 467 E CA 3.963 60.461 56.400 0.164 0.000 0.812 467 E CB -0.149 29.402 29.700 -0.249 0.000 0.743 467 E HN 0.624 8.915 8.360 -0.115 0.000 0.453 468 E N -2.541 117.717 120.200 0.097 0.000 2.150 468 E HA -0.251 4.160 4.350 0.102 0.000 0.193 468 E C 1.925 178.601 176.600 0.127 0.000 0.985 468 E CA 2.541 58.998 56.400 0.095 0.000 0.814 468 E CB -0.178 29.545 29.700 0.038 0.000 0.752 468 E HN -0.449 7.923 8.360 0.035 0.009 0.466 469 D N -0.693 119.790 120.400 0.139 0.000 2.103 469 D HA -0.150 4.548 4.640 0.097 0.000 0.199 469 D C 2.348 178.741 176.300 0.157 0.000 0.978 469 D CA 3.134 57.211 54.000 0.127 0.000 0.829 469 D CB 0.300 41.169 40.800 0.115 0.000 0.981 469 D HN -0.672 7.662 8.370 0.143 0.122 0.464 470 L N -0.624 120.742 121.223 0.239 0.000 2.131 470 L HA -0.421 4.019 4.340 0.168 0.000 0.210 470 L C 1.922 178.925 176.870 0.221 0.000 1.092 470 L CA 2.947 57.922 54.840 0.225 0.000 0.759 470 L CB -0.438 41.762 42.059 0.236 0.000 0.903 470 L HN -0.124 8.283 8.230 0.296 0.000 0.435 471 K N -1.769 118.802 120.400 0.285 0.000 2.103 471 K HA -0.445 3.980 4.320 0.175 0.000 0.207 471 K C 2.187 178.877 176.600 0.150 0.000 1.048 471 K CA 3.711 60.127 56.287 0.214 0.000 0.930 471 K CB -0.323 32.307 32.500 0.217 0.000 0.716 471 K HN -0.218 8.259 8.250 0.378 0.000 0.444 472 V N -0.081 119.902 119.914 0.115 0.000 2.379 472 V HA -0.366 3.788 4.120 0.058 0.000 0.245 472 V C 1.917 178.021 176.094 0.017 0.000 1.044 472 V CA 3.312 65.648 62.300 0.061 0.000 1.036 472 V CB -0.574 31.277 31.823 0.047 0.000 0.664 472 V HN -0.363 7.745 8.190 0.130 0.160 0.453 473 L N 0.900 122.121 121.223 -0.004 0.000 1.978 473 L HA -0.416 3.793 4.340 -0.219 0.000 0.218 473 L C 2.350 179.095 176.870 -0.208 0.000 1.075 473 L CA 3.988 58.738 54.840 -0.149 0.000 0.767 473 L CB -0.254 41.701 42.059 -0.174 0.000 0.890 473 L HN -0.388 7.869 8.230 0.044 0.000 0.434 474 F N -5.020 114.854 119.950 -0.128 0.000 2.259 474 F HA -0.328 4.130 4.527 -0.114 0.000 0.298 474 F C 2.426 178.187 175.800 -0.066 0.000 1.088 474 F CA 2.980 60.910 58.000 -0.115 0.000 1.358 474 F CB -0.172 38.730 39.000 -0.163 0.000 1.040 474 F HN -0.490 8.019 8.300 0.347 0.000 0.505 475 S N 1.028 116.786 115.700 0.097 0.000 2.399 475 S HA -0.347 4.375 4.470 0.064 -0.213 0.231 475 S C 2.499 177.106 174.600 0.011 0.000 1.022 475 S CA 2.541 60.774 58.200 0.055 0.000 0.983 475 S CB -0.452 62.782 63.200 0.058 0.000 0.803 475 S HN 0.347 8.622 8.310 0.124 0.109 0.480 476 S N 1.146 116.833 115.700 -0.023 0.000 2.440 476 S HA -0.243 4.214 4.470 -0.020 0.000 0.238 476 S C 1.389 175.961 174.600 -0.046 0.000 1.010 476 S CA 2.514 60.689 58.200 -0.040 0.000 0.972 476 S CB -0.143 63.016 63.200 -0.068 0.000 0.774 476 S HN 0.185 8.479 8.310 -0.028 0.000 0.501 477 N N 0.143 118.809 118.700 -0.057 0.000 2.381 477 N HA -0.093 4.619 4.740 -0.047 0.000 0.182 477 N C 0.459 175.965 175.510 -0.006 0.000 1.025 477 N CA 0.773 53.799 53.050 -0.040 0.000 0.888 477 N CB 0.570 39.027 38.487 -0.050 0.000 0.965 477 N HN -0.741 7.553 8.380 -0.066 0.047 0.438 478 G N -2.065 106.738 108.800 0.004 0.000 2.385 478 G HA2 -0.267 3.703 3.960 0.017 0.000 0.294 478 G HA3 -0.267 3.700 3.960 0.012 0.000 0.294 478 G C -0.028 174.887 174.900 0.026 0.000 1.070 478 G CA 0.421 45.530 45.100 0.015 0.000 1.172 478 G HN -0.230 7.898 8.290 0.002 0.163 0.516 479 G N -1.365 107.458 108.800 0.037 0.000 2.507 479 G HA2 -0.269 3.914 3.960 0.052 0.000 0.205 479 G HA3 -0.269 3.840 3.960 0.034 -0.129 0.205 479 G C -0.661 174.272 174.900 0.056 0.000 0.996 479 G CA 0.080 45.206 45.100 0.045 0.000 0.776 479 G HN 0.212 8.940 8.290 0.044 -0.411 0.532 480 V N 3.802 123.747 119.914 0.051 0.000 2.302 480 V HA 0.049 4.196 4.120 0.045 0.000 0.244 480 V C -1.284 174.840 176.094 0.050 0.000 1.160 480 V CA -0.408 61.920 62.300 0.047 0.000 1.127 480 V CB -1.437 30.409 31.823 0.038 0.000 1.253 480 V HN 0.371 8.993 8.190 0.050 -0.403 0.496 481 V N 8.546 128.492 119.914 0.053 0.000 2.393 481 V HA -0.306 3.943 4.120 0.011 -0.123 0.257 481 V C 0.737 176.849 176.094 0.030 0.000 1.040 481 V CA 0.555 62.874 62.300 0.031 0.000 1.097 481 V CB -1.799 30.047 31.823 0.037 0.000 1.101 481 V HN -0.156 8.069 8.190 0.060 0.000 0.479 482 K N 9.215 129.626 120.400 0.018 0.000 2.009 482 K HA -0.161 4.177 4.320 0.029 0.000 0.210 482 K C 0.217 176.836 176.600 0.031 0.000 1.049 482 K CA 0.885 57.186 56.287 0.023 0.000 0.929 482 K CB 0.476 32.986 32.500 0.017 0.000 0.714 482 K HN 0.251 8.421 8.250 0.008 0.086 0.440 483 G N -5.234 103.578 108.800 0.021 0.000 2.660 483 G HA2 0.121 4.130 3.960 0.082 0.000 0.290 483 G HA3 0.121 4.101 3.960 0.033 0.000 0.290 483 G C -2.678 172.261 174.900 0.065 0.000 1.432 483 G CA 0.021 45.151 45.100 0.050 0.000 0.807 483 G HN -0.574 7.706 8.290 -0.017 0.000 0.485 484 F N 0.140 120.037 119.950 -0.088 0.000 2.701 484 F HA 0.309 4.934 4.527 -0.195 -0.214 0.310 484 F C -2.428 173.345 175.800 -0.045 0.000 0.975 484 F CA -0.792 57.138 58.000 -0.118 0.000 1.118 484 F CB 2.863 41.797 39.000 -0.110 0.000 1.399 484 F HN 0.044 8.430 8.300 0.143 0.000 0.662 485 K N 5.464 126.073 120.400 0.350 0.000 2.545 485 K HA 0.479 4.875 4.320 0.127 0.000 0.252 485 K C -2.027 174.740 176.600 0.278 0.000 0.948 485 K CA -1.876 54.549 56.287 0.231 0.000 0.827 485 K CB 2.905 35.519 32.500 0.189 0.000 1.128 485 K HN 0.744 9.090 8.250 0.351 0.114 0.429 486 F N 3.403 123.423 119.950 0.116 0.000 2.545 486 F HA -0.216 4.416 4.527 0.176 0.000 0.348 486 F C 0.092 176.089 175.800 0.329 0.000 1.163 486 F CA 1.849 59.942 58.000 0.155 0.000 1.331 486 F CB 0.945 39.958 39.000 0.021 0.000 1.138 486 F HN 0.471 8.918 8.300 0.246 0.000 0.602 487 F N 5.336 125.402 119.950 0.193 0.000 2.451 487 F HA 0.164 4.749 4.527 0.098 0.000 0.356 487 F C 0.068 175.967 175.800 0.164 0.000 1.178 487 F CA -2.786 55.293 58.000 0.132 0.000 1.210 487 F CB -1.449 37.590 39.000 0.064 0.000 1.504 487 F HN 0.050 8.581 8.300 0.385 0.000 0.598 488 Q N 5.457 125.403 119.800 0.244 0.000 2.124 488 Q HA -0.357 4.061 4.340 0.130 0.000 0.202 488 Q C 1.373 177.419 176.000 0.076 0.000 0.977 488 Q CA 2.762 58.640 55.803 0.125 0.000 0.850 488 Q CB -0.121 28.656 28.738 0.065 0.000 0.901 488 Q HN 0.013 8.415 8.270 0.219 0.000 0.429 489 K N -1.965 118.450 120.400 0.026 0.000 2.063 489 K HA -0.167 4.146 4.320 -0.011 0.000 0.208 489 K C -0.209 176.412 176.600 0.034 0.000 1.048 489 K CA 1.667 57.945 56.287 -0.015 0.000 0.928 489 K CB 0.104 32.536 32.500 -0.113 0.000 0.713 489 K HN 0.064 8.297 8.250 -0.006 0.013 0.442 490 D N -1.378 119.083 120.400 0.101 0.000 2.330 490 D HA 0.145 4.845 4.640 0.100 0.000 0.249 490 D C -0.973 175.451 176.300 0.206 0.000 1.306 490 D CA -0.269 53.816 54.000 0.141 0.000 0.956 490 D CB 0.303 41.190 40.800 0.145 0.000 1.261 490 D HN -0.195 8.256 8.370 0.135 0.000 0.544 491 R N 2.250 122.847 120.500 0.163 0.000 4.113 491 R HA -0.029 4.571 4.340 0.253 -0.109 0.179 491 R C -0.120 176.268 176.300 0.146 0.000 1.781 491 R CA 0.567 56.773 56.100 0.177 0.000 1.402 491 R CB -2.081 28.293 30.300 0.124 0.000 1.375 491 R HN 0.117 8.460 8.270 0.121 0.000 0.786 492 K N -0.876 119.609 120.400 0.141 0.000 2.517 492 K HA 0.343 4.713 4.320 0.084 0.000 0.210 492 K C -1.251 175.351 176.600 0.003 0.000 1.166 492 K CA -0.668 55.667 56.287 0.081 0.000 1.030 492 K CB 1.925 34.462 32.500 0.063 0.000 0.974 492 K HN 0.082 8.373 8.250 0.176 0.065 0.585 493 M N -2.559 117.027 119.600 -0.022 0.000 2.618 493 M HA 0.779 5.199 4.480 -0.416 -0.189 0.281 493 M C -2.277 173.666 176.300 -0.595 0.000 1.267 493 M CA -0.986 54.121 55.300 -0.321 0.000 0.845 493 M CB 5.995 38.467 32.600 -0.214 0.000 1.732 493 M HN -0.759 7.603 8.290 0.119 0.000 0.461 494 A N -1.642 120.555 122.820 -1.038 0.000 2.612 494 A HA 0.634 4.519 4.320 -0.878 -0.091 0.293 494 A C -3.127 173.750 177.584 -1.178 0.000 1.075 494 A CA -0.784 50.613 52.037 -1.066 0.000 0.680 494 A CB 4.025 22.455 19.000 -0.949 0.000 1.279 494 A HN 0.861 8.346 8.150 -1.109 0.000 0.411 495 L N -0.131 120.673 121.223 -0.700 0.000 2.309 495 L HA 0.906 5.116 4.340 -0.451 -0.141 0.282 495 L C -1.235 175.434 176.870 -0.335 0.000 1.036 495 L CA -1.003 53.618 54.840 -0.365 0.000 0.806 495 L CB 2.525 44.611 42.059 0.045 0.000 1.220 495 L HN 0.500 8.503 8.230 -0.379 0.000 0.429 496 I N 1.638 121.957 120.570 -0.419 0.000 3.095 496 I HA 0.305 4.375 4.170 -0.382 -0.129 0.310 496 I C -2.458 173.481 176.117 -0.296 0.000 1.196 496 I CA -1.227 59.763 61.300 -0.516 0.000 0.985 496 I CB 5.210 42.563 38.000 -1.078 0.000 1.250 496 I HN 1.036 8.927 8.210 -0.365 0.100 0.446 497 Q N 1.044 120.709 119.800 -0.226 0.000 2.377 497 Q HA 0.550 4.967 4.340 -0.070 -0.120 0.279 497 Q C -1.651 174.310 176.000 -0.064 0.000 1.049 497 Q CA -0.863 54.883 55.803 -0.095 0.000 0.825 497 Q CB 4.740 33.458 28.738 -0.034 0.000 1.401 497 Q HN 0.566 8.601 8.270 -0.264 0.077 0.404 498 M N 2.361 121.963 119.600 0.003 0.000 2.777 498 M HA 0.740 5.410 4.480 0.030 -0.172 0.307 498 M C 0.597 176.923 176.300 0.043 0.000 1.228 498 M CA -3.044 52.280 55.300 0.040 0.000 0.871 498 M CB 2.273 34.927 32.600 0.089 0.000 1.721 498 M HN 0.807 9.111 8.290 0.025 0.000 0.487 499 G N -2.492 106.335 108.800 0.045 0.000 2.534 499 G HA2 -0.152 3.828 3.960 0.033 0.000 0.217 499 G HA3 -0.152 3.830 3.960 0.036 0.000 0.217 499 G C -0.720 174.204 174.900 0.039 0.000 1.128 499 G CA 0.577 45.700 45.100 0.038 0.000 0.784 499 G HN 0.245 8.564 8.290 0.049 0.000 0.542 500 S N -3.434 112.296 115.700 0.050 0.000 2.588 500 S HA 0.177 4.671 4.470 0.040 0.000 0.269 500 S C -0.064 174.576 174.600 0.068 0.000 1.157 500 S CA -2.291 55.938 58.200 0.048 0.000 0.824 500 S CB 1.061 64.284 63.200 0.038 0.000 1.126 500 S HN -0.911 7.391 8.310 0.060 0.045 0.464 501 V N 3.774 123.721 119.914 0.055 0.000 2.343 501 V HA -0.325 3.853 4.120 0.096 0.000 0.247 501 V C 1.282 177.427 176.094 0.085 0.000 1.051 501 V CA 3.638 65.977 62.300 0.064 0.000 1.036 501 V CB -0.017 31.813 31.823 0.012 0.000 0.654 501 V HN 0.471 8.683 8.190 0.037 0.000 0.451 502 E N -1.123 119.106 120.200 0.049 0.000 2.153 502 E HA -0.376 3.987 4.350 0.023 0.000 0.194 502 E C 2.002 178.641 176.600 0.065 0.000 0.988 502 E CA 3.250 59.672 56.400 0.035 0.000 0.811 502 E CB -1.108 28.593 29.700 0.002 0.000 0.746 502 E HN -0.214 8.166 8.360 0.034 0.000 0.466 503 E N 0.204 120.449 120.200 0.075 0.000 2.047 503 E HA -0.305 4.084 4.350 0.064 0.000 0.191 503 E C 2.310 178.985 176.600 0.125 0.000 0.987 503 E CA 2.879 59.330 56.400 0.084 0.000 0.799 503 E CB -0.395 29.352 29.700 0.078 0.000 0.752 503 E HN 0.148 8.531 8.360 0.069 0.018 0.449 504 A N -0.060 122.868 122.820 0.179 0.000 1.902 504 A HA -0.306 4.155 4.320 0.234 0.000 0.217 504 A C 2.042 179.818 177.584 0.321 0.000 1.181 504 A CA 3.254 55.451 52.037 0.268 0.000 0.623 504 A CB -0.670 18.543 19.000 0.354 0.000 0.818 504 A HN -0.321 7.925 8.150 0.160 0.000 0.443 505 V N -1.053 119.079 119.914 0.363 0.000 2.261 505 V HA -0.559 3.936 4.120 0.624 0.000 0.246 505 V C 2.134 178.346 176.094 0.198 0.000 1.047 505 V CA 4.714 67.243 62.300 0.381 0.000 1.015 505 V CB -0.676 31.310 31.823 0.272 0.000 0.642 505 V HN 0.336 8.694 8.190 0.281 0.000 0.446 506 Q N -1.905 117.966 119.800 0.119 0.000 2.230 506 Q HA -0.319 4.085 4.340 0.106 0.000 0.202 506 Q C 2.729 178.736 176.000 0.011 0.000 0.963 506 Q CA 3.010 58.861 55.803 0.080 0.000 0.866 506 Q CB -0.468 28.314 28.738 0.074 0.000 0.931 506 Q HN -0.113 8.224 8.270 0.113 0.000 0.452 507 A N 0.898 123.698 122.820 -0.033 0.000 1.930 507 A HA -0.219 3.910 4.320 -0.319 0.000 0.217 507 A C 1.674 179.131 177.584 -0.212 0.000 1.175 507 A CA 3.111 55.017 52.037 -0.218 0.000 0.627 507 A CB -0.643 18.232 19.000 -0.208 0.000 0.815 507 A HN 0.324 8.494 8.150 0.033 0.000 0.443 508 L N -0.766 120.403 121.223 -0.089 0.000 1.994 508 L HA -0.375 3.906 4.340 -0.098 0.000 0.208 508 L C 2.034 178.912 176.870 0.014 0.000 1.071 508 L CA 3.229 58.025 54.840 -0.074 0.000 0.745 508 L CB 0.076 42.038 42.059 -0.161 0.000 0.892 508 L HN -0.490 7.726 8.230 -0.025 0.000 0.431 509 I N -2.441 118.161 120.570 0.054 0.000 2.264 509 I HA -0.546 3.684 4.170 0.099 0.000 0.248 509 I C 1.790 177.951 176.117 0.073 0.000 1.111 509 I CA 3.835 65.192 61.300 0.095 0.000 1.382 509 I CB -0.285 37.803 38.000 0.146 0.000 1.060 509 I HN -0.090 8.163 8.210 0.071 0.000 0.418 510 D N -1.149 119.257 120.400 0.011 0.000 2.084 510 D HA -0.194 4.455 4.640 0.016 0.000 0.199 510 D C 1.584 177.862 176.300 -0.036 0.000 0.981 510 D CA 2.717 56.699 54.000 -0.030 0.000 0.841 510 D CB 0.703 41.438 40.800 -0.109 0.000 0.997 510 D HN -0.195 8.060 8.370 -0.013 0.107 0.454 511 L N -5.056 116.089 121.223 -0.130 0.000 2.416 511 L HA 0.033 4.331 4.340 -0.071 0.000 0.216 511 L C 0.208 177.079 176.870 0.000 0.000 1.098 511 L CA 0.047 54.803 54.840 -0.139 0.000 0.840 511 L CB 0.620 42.432 42.059 -0.410 0.000 0.981 511 L HN -0.221 7.876 8.230 -0.221 0.000 0.462 512 H N 1.441 120.492 119.070 -0.032 0.000 3.184 512 H HA -0.353 4.366 4.556 0.061 -0.127 0.274 512 H C 0.458 175.811 175.328 0.042 0.000 0.962 512 H CA 2.672 58.731 56.048 0.019 0.000 1.441 512 H CB -0.854 28.894 29.762 -0.024 0.000 1.518 512 H HN -0.514 7.804 8.280 0.063 0.000 0.539 513 N N 0.740 119.640 118.700 0.333 0.000 2.901 513 N HA -0.485 4.288 4.740 0.055 0.000 0.248 513 N C -1.447 174.111 175.510 0.081 0.000 1.044 513 N CA 1.572 54.690 53.050 0.114 0.000 0.847 513 N CB -1.910 36.556 38.487 -0.036 0.000 1.127 513 N HN 0.383 8.845 8.380 0.312 0.105 0.562 514 H N 3.277 122.382 119.070 0.058 0.000 3.226 514 H HA -0.251 4.316 4.556 0.019 0.000 0.260 514 H C -1.154 174.225 175.328 0.085 0.000 0.967 514 H CA 1.152 57.223 56.048 0.039 0.000 1.435 514 H CB 0.021 29.787 29.762 0.006 0.000 1.533 514 H HN -0.166 8.118 8.280 0.258 0.151 0.525 515 D N 6.902 127.176 120.400 -0.210 0.000 2.317 515 D HA 0.079 4.780 4.640 0.102 0.000 0.234 515 D C -0.905 175.328 176.300 -0.112 0.000 1.112 515 D CA -0.794 53.164 54.000 -0.071 0.000 0.840 515 D CB 0.420 41.176 40.800 -0.073 0.000 1.078 515 D HN -0.081 8.131 8.370 -0.264 0.000 0.486 516 L N 2.473 123.717 121.223 0.035 0.000 2.416 516 L HA 0.263 4.607 4.340 0.007 0.000 0.216 516 L C 0.332 177.262 176.870 0.101 0.000 1.098 516 L CA 0.665 55.543 54.840 0.063 0.000 0.840 516 L CB 0.719 42.850 42.059 0.119 0.000 0.981 516 L HN 0.533 8.843 8.230 0.134 0.000 0.462 517 G N -3.362 105.519 108.800 0.135 0.000 2.548 517 G HA2 0.160 4.161 3.960 0.068 0.000 0.301 517 G HA3 0.160 4.220 3.960 0.166 0.000 0.301 517 G C -1.637 173.295 174.900 0.053 0.000 1.349 517 G CA -0.103 45.061 45.100 0.107 0.000 0.792 517 G HN -0.666 7.719 8.290 0.158 0.000 0.481 518 E N -1.308 118.888 120.200 -0.006 0.000 2.204 518 E HA -0.230 4.121 4.350 0.001 0.000 0.195 518 E C 0.196 176.794 176.600 -0.003 0.000 0.990 518 E CA 1.816 58.208 56.400 -0.015 0.000 0.821 518 E CB 0.104 29.786 29.700 -0.030 0.000 0.750 518 E HN 0.408 8.763 8.360 -0.008 0.000 0.477 519 N N -5.877 112.770 118.700 -0.089 0.000 2.297 519 N HA -0.056 4.751 4.740 0.113 0.000 0.208 519 N C -1.196 174.307 175.510 -0.013 0.000 1.176 519 N CA 0.120 53.139 53.050 -0.053 0.000 0.882 519 N CB 0.811 39.197 38.487 -0.169 0.000 1.134 519 N HN -0.349 7.869 8.380 -0.218 0.031 0.489 520 H N 1.133 120.264 119.070 0.101 0.000 3.224 520 H HA 0.346 4.911 4.556 0.015 0.000 0.265 520 H C -0.862 174.552 175.328 0.143 0.000 1.461 520 H CA -0.321 55.769 56.048 0.070 0.000 1.509 520 H CB -2.338 27.459 29.762 0.059 0.000 1.686 520 H HN -0.030 8.111 8.280 -0.232 0.000 0.514 521 H N -1.326 117.828 119.070 0.140 0.000 2.985 521 H HA 0.546 5.289 4.556 0.118 -0.116 0.360 521 H C -1.572 173.803 175.328 0.078 0.000 1.221 521 H CA -2.114 53.997 56.048 0.105 0.000 1.121 521 H CB 2.839 32.649 29.762 0.079 0.000 1.854 521 H HN -0.426 7.820 8.280 -0.056 0.000 0.551 522 L N 0.018 121.363 121.223 0.204 0.000 2.426 522 L HA -0.005 4.307 4.340 -0.046 0.000 0.271 522 L C -0.182 176.654 176.870 -0.058 0.000 1.169 522 L CA 0.616 55.476 54.840 0.033 0.000 0.836 522 L CB -0.086 41.995 42.059 0.036 0.000 1.112 522 L HN -0.162 8.262 8.230 0.322 0.000 0.465 523 R N 1.656 121.985 120.500 -0.285 0.000 2.628 523 R HA 0.309 3.825 4.340 -1.372 0.000 0.288 523 R C -2.209 173.765 176.300 -0.544 0.000 0.980 523 R CA -0.988 54.747 56.100 -0.609 0.000 0.891 523 R CB 3.845 34.009 30.300 -0.228 0.000 1.188 523 R HN 0.202 8.332 8.270 -0.232 0.000 0.450 524 V N 4.241 123.714 119.914 -0.736 0.000 2.569 524 V HA 0.398 4.364 4.120 -0.257 0.000 0.301 524 V C -1.122 174.889 176.094 -0.139 0.000 1.044 524 V CA -0.877 61.231 62.300 -0.320 0.000 0.874 524 V CB 2.301 33.973 31.823 -0.252 0.000 1.002 524 V HN 0.066 7.284 8.190 -1.619 0.000 0.424 525 S N 6.175 121.792 115.700 -0.139 0.000 2.671 525 S HA 0.343 4.650 4.470 -0.272 0.000 0.299 525 S C -1.053 173.390 174.600 -0.261 0.000 1.116 525 S CA -1.978 56.132 58.200 -0.150 0.000 0.912 525 S CB 3.705 66.960 63.200 0.092 0.000 1.130 525 S HN 0.712 8.943 8.310 -0.132 0.000 0.501 526 F N 0.409 120.435 119.950 0.126 0.000 2.450 526 F HA 0.163 4.893 4.527 0.076 -0.158 0.339 526 F C 1.213 177.070 175.800 0.096 0.000 1.146 526 F CA 0.485 58.559 58.000 0.124 0.000 1.267 526 F CB 0.607 39.700 39.000 0.156 0.000 1.178 526 F HN 0.486 8.741 8.300 -0.075 0.000 0.585 527 S N 2.877 118.677 115.700 0.168 0.000 2.452 527 S HA 0.078 4.452 4.470 -0.160 0.000 0.284 527 S C 0.253 174.631 174.600 -0.370 0.000 1.171 527 S CA -0.470 57.675 58.200 -0.092 0.000 1.064 527 S CB 0.627 63.812 63.200 -0.024 0.000 0.967 527 S HN 0.103 8.428 8.310 0.220 0.117 0.484 528 K N 4.320 124.075 120.400 -1.075 0.000 2.162 528 K HA -0.318 3.241 4.320 -1.267 0.000 0.219 528 K C -0.076 176.327 176.600 -0.328 0.000 1.038 528 K CA 2.201 57.915 56.287 -0.956 0.000 0.946 528 K CB 0.010 32.068 32.500 -0.738 0.000 0.783 528 K HN 0.486 7.946 8.250 -1.317 0.000 0.470 529 S N -4.280 111.310 115.700 -0.182 0.000 2.732 529 S HA 0.249 4.685 4.470 -0.056 0.000 0.293 529 S C -1.895 172.696 174.600 -0.016 0.000 1.159 529 S CA -1.285 56.875 58.200 -0.067 0.000 0.847 529 S CB 2.338 65.511 63.200 -0.044 0.000 1.169 529 S HN -0.615 7.571 8.310 -0.176 0.018 0.501 530 T N -2.523 112.035 114.554 0.006 0.000 2.948 530 T HA 0.325 4.687 4.350 0.019 0.000 0.285 530 T C 0.058 174.781 174.700 0.038 0.000 1.019 530 T CA -1.510 60.602 62.100 0.020 0.000 1.013 530 T CB 1.992 70.870 68.868 0.016 0.000 1.117 530 T HN -0.230 8.011 8.240 0.002 0.000 0.533 531 I N 0.000 120.594 120.570 0.040 0.000 2.984 531 I HA 0.000 4.218 4.170 0.079 0.000 0.288 531 I CA 0.000 61.333 61.300 0.055 0.000 1.566 531 I CB 0.000 38.030 38.000 0.050 0.000 1.214 531 I HN 0.000 8.228 8.210 0.030 0.000 0.494