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 2ptm_1_A DATA FIRST_RESID 471 DATA SEQUENCE DSSSRQYREK LKQVEEYMQY RKLPSHLRNK ILDYYEYRYR GKMFDERHIF DATA SEQUENCE REVSESIRQD VANYNCRDLV ASVPFFVGAD SNFVTRVVTL LEFEVFQPAD DATA SEQUENCE YVIQEGTFGD RMFFIQQGIV DIIMSDGVIA TSLSDGSYFG EICLLTRERR DATA SEQUENCE VASVKCETYC TLFSLSVQHF NQVLDEFPAM RKTMEEIAVR RL 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 471 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 471 D C 0.000 176.283 176.300 -0.028 0.000 2.045 471 D CA 0.000 53.992 54.000 -0.013 0.000 0.868 471 D CB 0.000 40.800 40.800 0.000 0.000 0.688 472 S N 0.745 116.432 115.700 -0.022 0.000 2.402 472 S HA 0.098 4.564 4.470 -0.007 0.000 0.229 472 S C 2.323 176.871 174.600 -0.085 0.000 1.021 472 S CA 2.912 61.094 58.200 -0.030 0.000 0.974 472 S CB -0.597 62.603 63.200 -0.001 0.000 0.800 472 S HN 1.223 9.533 8.310 -0.000 0.000 0.484 473 S N 0.655 116.254 115.700 -0.168 0.000 2.406 473 S HA -0.032 4.434 4.470 -0.007 0.000 0.228 473 S C 2.059 176.504 174.600 -0.259 0.000 1.020 473 S CA 1.387 59.352 58.200 -0.391 0.000 0.965 473 S CB -0.449 62.172 63.200 -0.965 0.000 0.798 473 S HN 0.406 8.716 8.310 -0.000 0.000 0.488 474 S N 1.824 117.431 115.700 -0.155 0.000 2.371 474 S HA 0.031 4.497 4.470 -0.007 0.000 0.224 474 S C 2.590 177.189 174.600 -0.002 0.000 1.029 474 S CA 1.259 59.415 58.200 -0.073 0.000 0.978 474 S CB -0.734 62.433 63.200 -0.054 0.000 0.833 474 S HN 0.848 9.158 8.310 -0.000 0.000 0.466 475 R N 1.312 121.798 120.500 -0.023 0.000 2.096 475 R HA -0.017 4.319 4.340 -0.007 0.000 0.235 475 R C 2.042 178.332 176.300 -0.017 0.000 1.127 475 R CA 1.951 58.044 56.100 -0.012 0.000 0.968 475 R CB -1.462 28.827 30.300 -0.019 0.000 0.861 475 R HN 0.486 8.756 8.270 -0.000 0.000 0.440 476 Q N -1.120 118.658 119.800 -0.036 0.000 2.096 476 Q HA -0.171 4.165 4.340 -0.007 0.000 0.204 476 Q C 1.937 177.912 176.000 -0.042 0.000 0.982 476 Q CA 2.386 58.159 55.803 -0.050 0.000 0.850 476 Q CB -0.482 28.212 28.738 -0.075 0.000 0.901 476 Q HN 0.805 9.075 8.270 -0.000 0.000 0.422 477 Y N -0.511 119.708 120.300 -0.135 0.000 2.220 477 Y HA -0.120 4.426 4.550 -0.007 0.000 0.291 477 Y C 2.425 178.263 175.900 -0.102 0.000 1.129 477 Y CA 2.475 60.501 58.100 -0.123 0.000 1.161 477 Y CB -0.440 37.964 38.460 -0.093 0.000 0.997 477 Y HN 0.150 8.430 8.280 -0.000 0.000 0.522 478 R N 0.653 121.188 120.500 0.058 0.000 2.081 478 R HA -0.147 4.189 4.340 -0.007 0.000 0.235 478 R C 2.011 178.238 176.300 -0.121 0.000 1.131 478 R CA 1.802 57.888 56.100 -0.024 0.000 0.960 478 R CB -1.495 28.829 30.300 0.039 0.000 0.856 478 R HN 0.549 8.819 8.270 -0.000 0.000 0.436 479 E N 0.346 120.487 120.200 -0.098 0.000 2.021 479 E HA -0.232 4.114 4.350 -0.007 0.000 0.200 479 E C 2.159 178.658 176.600 -0.168 0.000 1.015 479 E CA 2.207 58.544 56.400 -0.106 0.000 0.824 479 E CB -0.166 29.486 29.700 -0.081 0.000 0.762 479 E HN 0.517 8.877 8.360 -0.000 0.000 0.454 480 K N -0.224 120.040 120.400 -0.227 0.000 2.020 480 K HA -0.166 4.150 4.320 -0.007 0.000 0.212 480 K C 2.010 178.363 176.600 -0.412 0.000 1.050 480 K CA 1.376 57.481 56.287 -0.304 0.000 0.929 480 K CB -0.690 31.597 32.500 -0.355 0.000 0.714 480 K HN 0.164 8.414 8.250 -0.000 0.000 0.443 481 L N 0.895 121.801 121.223 -0.528 0.000 2.083 481 L HA -0.140 4.196 4.340 -0.007 0.000 0.209 481 L C 2.468 179.164 176.870 -0.289 0.000 1.083 481 L CA 2.504 57.032 54.840 -0.520 0.000 0.752 481 L CB -0.937 40.795 42.059 -0.545 0.000 0.899 481 L HN 0.316 8.546 8.230 -0.000 0.000 0.433 482 K N -0.211 120.065 120.400 -0.207 0.000 2.026 482 K HA -0.235 4.081 4.320 -0.007 0.000 0.208 482 K C 1.949 178.486 176.600 -0.105 0.000 1.048 482 K CA 1.863 58.076 56.287 -0.123 0.000 0.929 482 K CB -1.185 31.261 32.500 -0.091 0.000 0.713 482 K HN 0.772 9.022 8.250 -0.000 0.000 0.439 483 Q N -0.154 119.576 119.800 -0.117 0.000 2.230 483 Q HA -0.029 4.307 4.340 -0.007 0.000 0.202 483 Q C 2.039 178.005 176.000 -0.057 0.000 0.963 483 Q CA 1.364 57.121 55.803 -0.075 0.000 0.866 483 Q CB -0.343 28.348 28.738 -0.077 0.000 0.931 483 Q HN 0.236 8.506 8.270 -0.000 0.000 0.452 484 V N 2.224 122.058 119.914 -0.134 0.000 2.295 484 V HA -0.238 3.878 4.120 -0.007 0.000 0.246 484 V C 2.183 178.275 176.094 -0.003 0.000 1.049 484 V CA 2.251 64.492 62.300 -0.099 0.000 1.024 484 V CB -0.522 31.118 31.823 -0.305 0.000 0.648 484 V HN 0.446 8.636 8.190 -0.000 0.000 0.447 485 E N -0.308 119.860 120.200 -0.054 0.000 2.150 485 E HA -0.220 4.126 4.350 -0.007 0.000 0.193 485 E C 2.117 178.712 176.600 -0.008 0.000 0.985 485 E CA 1.110 57.494 56.400 -0.025 0.000 0.814 485 E CB -0.129 29.546 29.700 -0.042 0.000 0.752 485 E HN 0.693 9.053 8.360 -0.000 0.000 0.466 486 E N 0.394 120.595 120.200 0.000 0.000 2.072 486 E HA -0.184 4.162 4.350 -0.007 0.000 0.191 486 E C 1.950 178.569 176.600 0.032 0.000 0.985 486 E CA 0.864 57.269 56.400 0.008 0.000 0.801 486 E CB -0.200 29.505 29.700 0.009 0.000 0.750 486 E HN 0.286 8.646 8.360 -0.000 0.000 0.452 487 Y N 1.291 121.564 120.300 -0.045 0.000 2.145 487 Y HA -0.189 4.357 4.550 -0.007 0.000 0.286 487 Y C 2.161 178.043 175.900 -0.029 0.000 1.145 487 Y CA 1.612 59.692 58.100 -0.034 0.000 1.148 487 Y CB -0.171 38.269 38.460 -0.032 0.000 0.981 487 Y HN -0.076 8.204 8.280 -0.000 0.000 0.507 488 M N -0.106 119.444 119.600 -0.085 0.000 2.279 488 M HA -0.223 4.253 4.480 -0.007 0.000 0.264 488 M C 2.175 178.365 176.300 -0.182 0.000 1.062 488 M CA 1.942 57.140 55.300 -0.170 0.000 1.099 488 M CB -0.337 32.253 32.600 -0.017 0.000 1.394 488 M HN 0.358 8.648 8.290 -0.000 0.000 0.426 489 Q N 0.080 119.805 119.800 -0.126 0.000 2.049 489 Q HA -0.174 4.162 4.340 -0.007 0.000 0.198 489 Q C 2.093 178.016 176.000 -0.128 0.000 0.971 489 Q CA 2.437 58.179 55.803 -0.100 0.000 0.833 489 Q CB -0.868 27.834 28.738 -0.060 0.000 0.896 489 Q HN 0.634 8.903 8.270 -0.000 0.000 0.434 490 Y N 0.035 120.240 120.300 -0.158 0.000 2.274 490 Y HA -0.027 4.519 4.550 -0.007 0.000 0.290 490 Y C 1.934 177.713 175.900 -0.202 0.000 1.145 490 Y CA 1.680 59.690 58.100 -0.151 0.000 1.203 490 Y CB -0.358 38.028 38.460 -0.123 0.000 0.984 490 Y HN 0.123 8.403 8.280 -0.000 0.000 0.533 491 R N 0.221 120.521 120.500 -0.333 0.000 2.310 491 R HA 0.036 4.372 4.340 -0.007 0.000 0.202 491 R C 0.401 176.586 176.300 -0.190 0.000 0.933 491 R CA 0.215 56.127 56.100 -0.312 0.000 1.054 491 R CB -0.055 29.925 30.300 -0.533 0.000 0.985 491 R HN 0.527 8.797 8.270 -0.000 0.000 0.489 492 K N 0.892 121.197 120.400 -0.157 0.000 3.071 492 K HA -0.182 4.134 4.320 -0.007 0.000 0.262 492 K C -0.079 176.463 176.600 -0.097 0.000 0.977 492 K CA 0.540 56.765 56.287 -0.103 0.000 0.721 492 K CB -2.355 30.102 32.500 -0.072 0.000 1.293 492 K HN 0.309 8.559 8.250 -0.000 0.000 0.475 493 L N 0.813 121.962 121.223 -0.124 0.000 2.506 493 L HA 0.032 4.368 4.340 -0.007 0.000 0.281 493 L C -1.333 175.466 176.870 -0.118 0.000 1.228 493 L CA -1.477 53.291 54.840 -0.119 0.000 0.850 493 L CB -0.241 41.745 42.059 -0.122 0.000 1.110 493 L HN -0.062 8.168 8.230 -0.000 0.000 0.496 494 P HA 0.013 4.433 4.420 -0.000 0.000 0.269 494 P C 0.512 177.687 177.300 -0.208 0.000 1.215 494 P CA -0.260 62.756 63.100 -0.140 0.000 0.780 494 P CB 0.672 32.299 31.700 -0.121 0.000 0.898 495 S N 1.813 117.475 115.700 -0.063 0.000 2.383 495 S HA -0.282 4.184 4.470 -0.007 0.000 0.229 495 S C 1.727 176.307 174.600 -0.035 0.000 1.030 495 S CA 1.813 59.995 58.200 -0.030 0.000 1.002 495 S CB -1.698 61.519 63.200 0.028 0.000 0.829 495 S HN 0.704 9.014 8.310 -0.000 0.000 0.467 496 H N 0.870 119.955 119.070 0.025 0.000 2.387 496 H HA 0.101 4.653 4.556 -0.007 0.000 0.299 496 H C 1.976 177.327 175.328 0.038 0.000 1.099 496 H CA 1.288 57.354 56.048 0.030 0.000 1.315 496 H CB -0.543 29.233 29.762 0.022 0.000 1.380 496 H HN 0.398 8.678 8.280 -0.000 0.000 0.513 497 L N 0.611 121.459 121.223 -0.625 0.000 2.162 497 L HA 0.110 4.446 4.340 -0.007 0.000 0.205 497 L C 2.282 179.086 176.870 -0.109 0.000 1.086 497 L CA 1.146 55.794 54.840 -0.320 0.000 0.778 497 L CB -0.475 41.327 42.059 -0.429 0.000 0.928 497 L HN 0.141 8.371 8.230 -0.000 0.000 0.446 498 R N -0.286 120.147 120.500 -0.111 0.000 2.091 498 R HA -0.134 4.202 4.340 -0.007 0.000 0.238 498 R C 1.934 178.258 176.300 0.040 0.000 1.136 498 R CA 1.509 57.598 56.100 -0.018 0.000 0.959 498 R CB -0.587 29.697 30.300 -0.027 0.000 0.856 498 R HN 0.461 8.731 8.270 -0.000 0.000 0.437 499 N N 0.961 119.685 118.700 0.040 0.000 2.244 499 N HA -0.161 4.575 4.740 -0.007 0.000 0.183 499 N C 1.611 177.196 175.510 0.126 0.000 1.016 499 N CA 1.004 54.107 53.050 0.088 0.000 0.866 499 N CB -0.114 38.425 38.487 0.086 0.000 0.980 499 N HN 0.271 8.651 8.380 -0.000 0.000 0.430 500 K N 1.069 121.535 120.400 0.109 0.000 2.057 500 K HA -0.024 4.292 4.320 -0.007 0.000 0.207 500 K C 1.999 178.708 176.600 0.183 0.000 1.049 500 K CA 0.880 57.246 56.287 0.132 0.000 0.931 500 K CB -0.064 32.492 32.500 0.093 0.000 0.714 500 K HN 0.057 8.307 8.250 -0.000 0.000 0.440 501 I N 1.127 121.795 120.570 0.163 0.000 2.202 501 I HA -0.286 3.880 4.170 -0.007 0.000 0.242 501 I C 2.204 178.559 176.117 0.397 0.000 1.091 501 I CA 1.037 62.483 61.300 0.243 0.000 1.368 501 I CB -0.206 37.912 38.000 0.198 0.000 1.058 501 I HN 0.174 8.384 8.210 -0.000 0.000 0.410 502 L N 0.258 121.652 121.223 0.285 0.000 2.046 502 L HA -0.239 4.097 4.340 -0.007 0.000 0.208 502 L C 2.145 179.217 176.870 0.337 0.000 1.077 502 L CA 1.261 56.273 54.840 0.287 0.000 0.747 502 L CB -0.783 41.376 42.059 0.167 0.000 0.896 502 L HN 0.250 8.480 8.230 -0.000 0.000 0.432 503 D N -0.824 119.754 120.400 0.296 0.000 2.149 503 D HA -0.241 4.395 4.640 -0.007 0.000 0.198 503 D C 1.878 178.407 176.300 0.382 0.000 0.990 503 D CA 1.258 55.442 54.000 0.307 0.000 0.839 503 D CB -0.238 40.741 40.800 0.298 0.000 0.948 503 D HN 0.344 8.714 8.370 -0.000 0.000 0.460 504 Y N -0.015 120.451 120.300 0.276 0.000 2.145 504 Y HA -0.300 4.246 4.550 -0.007 0.000 0.286 504 Y C 2.106 178.145 175.900 0.232 0.000 1.145 504 Y CA 1.572 59.806 58.100 0.224 0.000 1.148 504 Y CB -0.463 38.035 38.460 0.063 0.000 0.981 504 Y HN -0.042 8.238 8.280 -0.000 0.000 0.507 505 Y N 0.662 121.235 120.300 0.454 0.000 2.181 505 Y HA -0.245 4.301 4.550 -0.007 0.000 0.288 505 Y C 2.726 178.896 175.900 0.450 0.000 1.146 505 Y CA 2.024 60.423 58.100 0.498 0.000 1.164 505 Y CB -0.455 38.239 38.460 0.390 0.000 0.982 505 Y HN 0.284 8.564 8.280 -0.000 0.000 0.515 506 E N -0.773 119.722 120.200 0.491 0.000 2.051 506 E HA -0.289 4.057 4.350 -0.007 0.000 0.192 506 E C 2.016 178.696 176.600 0.134 0.000 0.991 506 E CA 1.325 57.918 56.400 0.322 0.000 0.799 506 E CB -0.419 29.426 29.700 0.241 0.000 0.748 506 E HN 0.588 8.948 8.360 -0.000 0.000 0.449 507 Y N 1.161 121.440 120.300 -0.035 0.000 2.163 507 Y HA -0.177 4.369 4.550 -0.007 0.000 0.288 507 Y C 2.555 178.322 175.900 -0.221 0.000 1.136 507 Y CA 2.226 60.205 58.100 -0.202 0.000 1.147 507 Y CB -0.071 38.169 38.460 -0.366 0.000 0.987 507 Y HN -0.084 8.196 8.280 -0.000 0.000 0.509 508 R N -1.433 118.958 120.500 -0.181 0.000 2.062 508 R HA -0.149 4.187 4.340 -0.007 0.000 0.229 508 R C 1.470 177.531 176.300 -0.398 0.000 1.128 508 R CA 1.973 57.816 56.100 -0.428 0.000 0.960 508 R CB -0.415 29.304 30.300 -0.970 0.000 0.855 508 R HN 0.423 8.693 8.270 -0.000 0.000 0.432 509 Y N -0.381 119.946 120.300 0.044 0.000 2.507 509 Y HA 0.291 4.837 4.550 -0.007 0.000 0.263 509 Y C 0.361 176.213 175.900 -0.079 0.000 1.093 509 Y CA -0.315 57.837 58.100 0.086 0.000 1.285 509 Y CB 0.591 39.236 38.460 0.309 0.000 1.115 509 Y HN -0.090 8.190 8.280 -0.000 0.000 0.533 510 R N 0.247 120.729 120.500 -0.029 0.000 3.516 510 R HA -0.211 4.125 4.340 -0.007 0.000 0.271 510 R C 1.159 177.242 176.300 -0.362 0.000 1.098 510 R CA 0.878 56.876 56.100 -0.171 0.000 0.732 510 R CB -2.509 27.710 30.300 -0.136 0.000 1.152 510 R HN 0.772 9.042 8.270 -0.000 0.000 0.455 511 G N -1.043 107.207 108.800 -0.918 0.000 2.157 511 G HA2 -0.335 3.621 3.960 -0.007 0.000 0.248 511 G HA3 -0.335 3.621 3.960 -0.007 0.000 0.248 511 G C -0.058 174.383 174.900 -0.764 0.000 0.979 511 G CA 0.639 44.937 45.100 -1.336 0.000 0.650 511 G HN 0.385 8.675 8.290 -0.000 0.000 0.529 512 K N -0.416 119.726 120.400 -0.430 0.000 2.535 512 K HA 0.629 4.945 4.320 -0.007 0.000 0.250 512 K C -0.549 175.953 176.600 -0.164 0.000 0.948 512 K CA -0.589 55.527 56.287 -0.285 0.000 0.796 512 K CB 1.675 33.971 32.500 -0.341 0.000 1.216 512 K HN 0.134 8.384 8.250 -0.000 0.000 0.432 513 M N 4.295 123.753 119.600 -0.236 0.000 2.018 513 M HA 0.353 4.829 4.480 -0.007 0.000 0.311 513 M C -0.879 175.277 176.300 -0.241 0.000 0.928 513 M CA -0.598 54.625 55.300 -0.128 0.000 0.911 513 M CB 0.476 33.004 32.600 -0.120 0.000 1.447 513 M HN 0.427 8.717 8.290 -0.000 0.000 0.407 514 F N 0.564 120.573 119.950 0.098 0.000 2.123 514 F HA 0.267 4.791 4.527 -0.005 0.000 0.257 514 F C 1.447 177.294 175.800 0.078 0.000 0.967 514 F CA -0.060 57.985 58.000 0.075 0.000 1.152 514 F CB 0.153 39.195 39.000 0.070 0.000 1.869 514 F HN 0.459 8.759 8.300 -0.000 0.000 0.562 515 D N -1.972 118.607 120.400 0.298 0.000 3.050 515 D HA 0.032 4.668 4.640 -0.007 0.000 0.281 515 D C 1.330 177.717 176.300 0.146 0.000 1.246 515 D CA 1.043 55.153 54.000 0.183 0.000 1.073 515 D CB 0.297 41.177 40.800 0.134 0.000 1.382 515 D HN 0.675 9.045 8.370 -0.000 0.000 0.433 516 E N -1.124 119.164 120.200 0.146 0.000 5.052 516 E HA -0.426 3.920 4.350 -0.007 0.000 0.167 516 E C 1.825 178.475 176.600 0.083 0.000 1.146 516 E CA 2.071 58.535 56.400 0.106 0.000 2.262 516 E CB -1.332 28.352 29.700 -0.026 0.000 1.785 516 E HN 0.201 8.561 8.360 -0.000 0.000 0.455 517 R N -0.683 119.837 120.500 0.033 0.000 2.096 517 R HA -0.137 4.198 4.340 -0.007 0.000 0.235 517 R C 2.334 178.704 176.300 0.117 0.000 1.127 517 R CA 3.474 59.600 56.100 0.043 0.000 0.968 517 R CB -2.295 28.028 30.300 0.039 0.000 0.861 517 R HN 0.796 9.066 8.270 -0.000 0.000 0.440 518 H N 0.246 119.386 119.070 0.115 0.000 2.326 518 H HA 0.235 4.787 4.556 -0.007 0.000 0.301 518 H C 2.443 177.849 175.328 0.131 0.000 1.081 518 H CA 1.439 57.552 56.048 0.108 0.000 1.334 518 H CB -0.347 29.470 29.762 0.091 0.000 1.385 518 H HN 0.485 8.765 8.280 -0.000 0.000 0.504 519 I N -0.747 119.920 120.570 0.163 0.000 2.142 519 I HA -0.184 3.982 4.170 -0.007 0.000 0.240 519 I C 2.389 178.617 176.117 0.185 0.000 1.078 519 I CA 1.551 62.946 61.300 0.158 0.000 1.343 519 I CB -0.461 37.643 38.000 0.173 0.000 1.046 519 I HN 0.343 8.553 8.210 -0.000 0.000 0.405 520 F N 1.264 121.224 119.950 0.017 0.000 2.147 520 F HA -0.246 4.278 4.527 -0.006 0.000 0.301 520 F C 2.622 178.429 175.800 0.011 0.000 1.084 520 F CA 1.640 59.646 58.000 0.011 0.000 1.268 520 F CB -0.592 38.418 39.000 0.016 0.000 1.009 520 F HN -0.039 8.261 8.300 -0.000 0.000 0.486 521 R N -0.340 120.275 120.500 0.193 0.000 2.236 521 R HA -0.067 4.269 4.340 -0.007 0.000 0.208 521 R C 1.633 177.969 176.300 0.060 0.000 1.036 521 R CA 0.885 57.050 56.100 0.110 0.000 1.001 521 R CB -0.251 30.107 30.300 0.098 0.000 0.896 521 R HN 0.336 8.606 8.270 -0.000 0.000 0.464 522 E N 0.202 120.432 120.200 0.051 0.000 2.478 522 E HA -0.024 4.322 4.350 -0.007 0.000 0.194 522 E C 0.405 177.002 176.600 -0.005 0.000 1.045 522 E CA 0.188 56.602 56.400 0.023 0.000 0.868 522 E CB 0.606 30.322 29.700 0.027 0.000 0.885 522 E HN 0.126 8.486 8.360 -0.000 0.000 0.505 523 V N -2.068 117.830 119.914 -0.027 0.000 3.204 523 V HA 0.515 4.631 4.120 -0.007 0.000 0.316 523 V C 0.258 176.311 176.094 -0.067 0.000 1.160 523 V CA -1.067 61.193 62.300 -0.067 0.000 1.044 523 V CB 1.570 33.314 31.823 -0.132 0.000 1.136 523 V HN 0.048 8.238 8.190 -0.000 0.000 0.455 524 S N -0.803 114.849 115.700 -0.080 0.000 2.614 524 S HA 0.223 4.689 4.470 -0.007 0.000 0.265 524 S C 0.948 175.498 174.600 -0.083 0.000 1.303 524 S CA 0.608 58.769 58.200 -0.066 0.000 1.000 524 S CB 0.828 63.991 63.200 -0.063 0.000 0.935 524 S HN 1.033 9.343 8.310 -0.000 0.000 0.551 525 E N 0.971 121.137 120.200 -0.055 0.000 2.110 525 E HA -0.145 4.201 4.350 -0.007 0.000 0.193 525 E C 1.782 178.337 176.600 -0.075 0.000 0.988 525 E CA 1.403 57.772 56.400 -0.052 0.000 0.804 525 E CB -0.317 29.367 29.700 -0.027 0.000 0.745 525 E HN 0.715 9.075 8.360 -0.000 0.000 0.458 526 S N 0.467 116.123 115.700 -0.074 0.000 2.356 526 S HA -0.139 4.327 4.470 -0.007 0.000 0.223 526 S C 1.929 176.459 174.600 -0.117 0.000 1.032 526 S CA 1.154 59.306 58.200 -0.080 0.000 1.005 526 S CB -0.218 62.943 63.200 -0.064 0.000 0.867 526 S HN 0.309 8.619 8.310 -0.000 0.000 0.449 527 I N 1.209 121.692 120.570 -0.146 0.000 2.226 527 I HA -0.210 3.956 4.170 -0.007 0.000 0.245 527 I C 2.690 178.609 176.117 -0.329 0.000 1.100 527 I CA 1.185 62.360 61.300 -0.207 0.000 1.374 527 I CB -0.301 37.575 38.000 -0.207 0.000 1.057 527 I HN 0.196 8.406 8.210 -0.000 0.000 0.413 528 R N 0.357 120.637 120.500 -0.365 0.000 2.096 528 R HA -0.202 4.134 4.340 -0.007 0.000 0.235 528 R C 2.306 178.478 176.300 -0.212 0.000 1.127 528 R CA 1.453 57.245 56.100 -0.513 0.000 0.968 528 R CB -0.283 29.879 30.300 -0.230 0.000 0.861 528 R HN 0.514 8.784 8.270 -0.000 0.000 0.440 529 Q N 0.105 119.831 119.800 -0.123 0.000 2.079 529 Q HA -0.137 4.199 4.340 -0.007 0.000 0.200 529 Q C 1.557 177.515 176.000 -0.070 0.000 0.974 529 Q CA 1.284 57.045 55.803 -0.069 0.000 0.840 529 Q CB 0.057 28.756 28.738 -0.066 0.000 0.898 529 Q HN 0.275 8.545 8.270 -0.000 0.000 0.430 530 D N -0.003 120.340 120.400 -0.094 0.000 2.117 530 D HA -0.131 4.505 4.640 -0.007 0.000 0.197 530 D C 1.964 178.243 176.300 -0.036 0.000 0.987 530 D CA 1.028 54.987 54.000 -0.069 0.000 0.829 530 D CB -0.151 40.594 40.800 -0.090 0.000 0.961 530 D HN 0.049 8.419 8.370 -0.000 0.000 0.460 531 V N 1.232 121.091 119.914 -0.092 0.000 2.358 531 V HA -0.175 3.941 4.120 -0.007 0.000 0.246 531 V C 2.495 178.684 176.094 0.158 0.000 1.047 531 V CA 1.680 63.979 62.300 -0.002 0.000 1.035 531 V CB -0.795 30.944 31.823 -0.140 0.000 0.658 531 V HN 0.177 8.367 8.190 -0.000 0.000 0.452 532 A N 0.193 123.121 122.820 0.180 0.000 1.902 532 A HA -0.217 4.099 4.320 -0.007 0.000 0.217 532 A C 2.124 179.705 177.584 -0.005 0.000 1.181 532 A CA 1.871 53.998 52.037 0.150 0.000 0.623 532 A CB -0.656 18.432 19.000 0.147 0.000 0.818 532 A HN 0.564 8.714 8.150 -0.000 0.000 0.443 533 N N -1.549 117.135 118.700 -0.027 0.000 2.120 533 N HA -0.177 4.559 4.740 -0.007 0.000 0.188 533 N C 1.630 177.107 175.510 -0.055 0.000 1.024 533 N CA 1.722 54.722 53.050 -0.083 0.000 0.852 533 N CB -0.435 38.006 38.487 -0.076 0.000 1.003 533 N HN 0.672 9.053 8.380 -0.000 0.000 0.424 534 Y N 2.055 122.307 120.300 -0.081 0.000 2.163 534 Y HA -0.066 4.479 4.550 -0.009 0.000 0.288 534 Y C 1.920 177.779 175.900 -0.068 0.000 1.136 534 Y CA 1.382 59.440 58.100 -0.070 0.000 1.147 534 Y CB -0.214 38.212 38.460 -0.057 0.000 0.987 534 Y HN 0.034 8.314 8.280 -0.000 0.000 0.509 535 N N -0.927 117.824 118.700 0.085 0.000 2.289 535 N HA -0.161 4.575 4.740 -0.007 0.000 0.184 535 N C 1.190 176.620 175.510 -0.135 0.000 1.016 535 N CA 1.486 54.540 53.050 0.006 0.000 0.872 535 N CB -0.654 37.867 38.487 0.057 0.000 0.973 535 N HN 0.322 8.702 8.380 -0.000 0.000 0.433 536 C N 1.156 120.333 119.300 -0.206 0.000 2.780 536 C HA 0.202 4.658 4.460 -0.007 0.000 0.287 536 C C 2.177 177.011 174.990 -0.259 0.000 1.288 536 C CA -0.843 57.985 59.018 -0.318 0.000 1.713 536 C CB -0.871 26.612 27.740 -0.428 0.000 1.955 536 C HN 0.475 8.705 8.230 -0.000 0.000 0.613 537 R N 1.826 122.171 120.500 -0.259 0.000 2.083 537 R HA -0.131 4.205 4.340 -0.007 0.000 0.237 537 R C 1.576 177.780 176.300 -0.159 0.000 1.137 537 R CA 2.445 58.399 56.100 -0.243 0.000 0.951 537 R CB -1.163 28.922 30.300 -0.358 0.000 0.851 537 R HN 0.459 8.729 8.270 -0.000 0.000 0.434 538 D N 2.078 122.395 120.400 -0.138 0.000 2.117 538 D HA -0.092 4.544 4.640 -0.007 0.000 0.197 538 D C 2.066 178.370 176.300 0.007 0.000 0.987 538 D CA 1.313 55.282 54.000 -0.053 0.000 0.829 538 D CB -0.335 40.448 40.800 -0.029 0.000 0.961 538 D HN 0.284 8.654 8.370 -0.000 0.000 0.460 539 L N 0.239 121.460 121.223 -0.003 0.000 2.017 539 L HA -0.075 4.261 4.340 -0.007 0.000 0.208 539 L C 2.703 179.648 176.870 0.125 0.000 1.073 539 L CA 1.625 56.507 54.840 0.069 0.000 0.745 539 L CB -0.368 41.683 42.059 -0.013 0.000 0.894 539 L HN 0.214 8.444 8.230 -0.000 0.000 0.432 540 V N 0.279 120.212 119.914 0.032 0.000 2.343 540 V HA -0.303 3.813 4.120 -0.007 0.000 0.247 540 V C 2.816 179.020 176.094 0.185 0.000 1.051 540 V CA 1.686 64.053 62.300 0.111 0.000 1.036 540 V CB -1.408 30.289 31.823 -0.211 0.000 0.654 540 V HN 0.633 8.823 8.190 -0.000 0.000 0.451 541 A N 0.509 123.372 122.820 0.071 0.000 1.972 541 A HA -0.179 4.137 4.320 -0.007 0.000 0.219 541 A C 2.467 180.114 177.584 0.105 0.000 1.169 541 A CA 2.099 54.177 52.037 0.069 0.000 0.635 541 A CB -0.540 18.471 19.000 0.018 0.000 0.810 541 A HN 0.696 8.846 8.150 -0.000 0.000 0.446 542 S N -1.157 114.619 115.700 0.127 0.000 2.501 542 S HA 0.140 4.606 4.470 -0.007 0.000 0.220 542 S C 0.415 175.112 174.600 0.161 0.000 0.997 542 S CA 0.371 58.650 58.200 0.130 0.000 0.919 542 S CB -0.359 62.920 63.200 0.131 0.000 0.778 542 S HN 0.122 8.432 8.310 -0.000 0.000 0.523 543 V N 4.188 124.234 119.914 0.220 0.000 2.339 543 V HA 0.281 4.396 4.120 -0.007 0.000 0.261 543 V C -1.579 174.620 176.094 0.176 0.000 1.058 543 V CA -1.541 60.884 62.300 0.209 0.000 0.897 543 V CB 0.746 32.676 31.823 0.179 0.000 1.052 543 V HN 0.208 8.398 8.190 -0.000 0.000 0.480 544 P HA -0.192 4.228 4.420 -0.000 0.000 0.218 544 P C 1.635 179.028 177.300 0.155 0.000 1.146 544 P CA 1.016 64.195 63.100 0.131 0.000 0.813 544 P CB 0.060 31.822 31.700 0.102 0.000 0.778 545 F N -0.225 119.735 119.950 0.017 0.000 2.154 545 F HA -0.205 4.319 4.527 -0.006 0.000 0.301 545 F C 1.537 177.335 175.800 -0.003 0.000 1.087 545 F CA 1.490 59.486 58.000 -0.007 0.000 1.274 545 F CB -0.766 38.242 39.000 0.012 0.000 1.009 545 F HN -0.183 8.117 8.300 -0.000 0.000 0.485 546 F N 0.514 120.492 119.950 0.046 0.000 2.811 546 F HA 0.242 4.766 4.527 -0.006 0.000 0.301 546 F C 1.352 177.097 175.800 -0.093 0.000 1.151 546 F CA -0.129 57.816 58.000 -0.091 0.000 1.412 546 F CB -1.596 37.407 39.000 0.004 0.000 1.113 546 F HN -0.115 8.185 8.300 -0.000 0.000 0.579 547 V N 0.403 120.373 119.914 0.093 0.000 2.485 547 V HA 0.432 4.548 4.120 -0.007 0.000 0.287 547 V C 1.362 177.452 176.094 -0.008 0.000 1.022 547 V CA 0.694 63.022 62.300 0.047 0.000 1.067 547 V CB -0.504 31.346 31.823 0.045 0.000 0.967 547 V HN 0.511 8.701 8.190 -0.000 0.000 0.479 548 G N 3.217 112.010 108.800 -0.011 0.000 2.184 548 G HA2 0.128 4.084 3.960 -0.007 0.000 0.264 548 G HA3 0.128 4.084 3.960 -0.007 0.000 0.264 548 G C 0.618 175.479 174.900 -0.064 0.000 0.975 548 G CA 0.517 45.596 45.100 -0.034 0.000 0.642 548 G HN 2.581 10.871 8.290 -0.000 0.000 0.536 549 A N -0.010 122.765 122.820 -0.076 0.000 2.448 549 A HA 0.459 4.774 4.320 -0.007 0.000 0.239 549 A C 0.636 178.166 177.584 -0.091 0.000 1.080 549 A CA 0.571 52.532 52.037 -0.128 0.000 0.779 549 A CB 0.248 19.209 19.000 -0.065 0.000 1.026 549 A HN 0.469 8.619 8.150 -0.000 0.000 0.499 550 D N 1.066 121.395 120.400 -0.120 0.000 2.458 550 D HA 0.069 4.705 4.640 -0.007 0.000 0.243 550 D C 1.195 177.438 176.300 -0.095 0.000 1.146 550 D CA 0.483 54.437 54.000 -0.076 0.000 0.877 550 D CB 0.962 41.738 40.800 -0.040 0.000 1.176 550 D HN 0.374 8.744 8.370 -0.000 0.000 0.461 551 S N 3.344 119.002 115.700 -0.070 0.000 2.387 551 S HA -0.181 4.285 4.470 -0.007 0.000 0.230 551 S C 1.514 176.043 174.600 -0.119 0.000 1.035 551 S CA 0.836 58.980 58.200 -0.093 0.000 1.014 551 S CB -0.056 63.107 63.200 -0.060 0.000 0.836 551 S HN 0.555 8.865 8.310 -0.000 0.000 0.466 552 N N 0.605 119.264 118.700 -0.069 0.000 2.244 552 N HA -0.028 4.708 4.740 -0.007 0.000 0.183 552 N C 1.402 176.758 175.510 -0.257 0.000 1.016 552 N CA 0.731 53.769 53.050 -0.020 0.000 0.866 552 N CB -0.481 38.147 38.487 0.234 0.000 0.980 552 N HN 0.439 8.819 8.380 -0.000 0.000 0.430 553 F N 2.051 121.467 119.950 -0.891 0.000 2.075 553 F HA -0.155 4.368 4.527 -0.008 0.000 0.297 553 F C 2.151 177.619 175.800 -0.555 0.000 1.113 553 F CA 1.045 58.310 58.000 -1.223 0.000 1.218 553 F CB -0.461 37.807 39.000 -1.220 0.000 0.984 553 F HN -0.235 8.065 8.300 -0.000 0.000 0.472 554 V N -0.023 119.616 119.914 -0.458 0.000 2.287 554 V HA -0.344 3.772 4.120 -0.007 0.000 0.248 554 V C 2.354 178.128 176.094 -0.534 0.000 1.053 554 V CA 2.451 64.378 62.300 -0.621 0.000 1.027 554 V CB -1.332 30.186 31.823 -0.509 0.000 0.646 554 V HN 0.453 8.643 8.190 -0.000 0.000 0.447 555 T N -0.437 113.906 114.554 -0.352 0.000 2.746 555 T HA -0.247 4.099 4.350 -0.007 0.000 0.267 555 T C 2.094 176.653 174.700 -0.235 0.000 1.039 555 T CA 1.921 63.873 62.100 -0.247 0.000 1.142 555 T CB -0.270 68.510 68.868 -0.146 0.000 0.866 555 T HN 0.310 8.550 8.240 -0.000 0.000 0.444 556 R N 0.969 121.324 120.500 -0.242 0.000 2.073 556 R HA -0.047 4.288 4.340 -0.007 0.000 0.234 556 R C 2.224 178.374 176.300 -0.250 0.000 1.134 556 R CA 1.380 57.377 56.100 -0.172 0.000 0.952 556 R CB -1.069 29.203 30.300 -0.046 0.000 0.850 556 R HN 0.257 8.527 8.270 -0.000 0.000 0.433 557 V N 0.548 120.205 119.914 -0.429 0.000 2.261 557 V HA -0.257 3.859 4.120 -0.007 0.000 0.246 557 V C 2.369 178.288 176.094 -0.292 0.000 1.047 557 V CA 1.910 63.981 62.300 -0.381 0.000 1.015 557 V CB -0.700 30.802 31.823 -0.534 0.000 0.642 557 V HN 0.447 8.637 8.190 -0.000 0.000 0.446 558 V N -0.152 119.550 119.914 -0.355 0.000 2.594 558 V HA -0.201 3.915 4.120 -0.007 0.000 0.253 558 V C 2.398 178.397 176.094 -0.159 0.000 1.069 558 V CA 2.330 64.455 62.300 -0.292 0.000 1.082 558 V CB -1.798 29.827 31.823 -0.330 0.000 0.680 558 V HN 0.716 8.906 8.190 -0.000 0.000 0.469 559 T N -2.052 112.425 114.554 -0.129 0.000 3.085 559 T HA 0.151 4.497 4.350 -0.007 0.000 0.263 559 T C 1.562 176.218 174.700 -0.074 0.000 1.127 559 T CA 1.238 63.310 62.100 -0.046 0.000 1.103 559 T CB -0.329 68.520 68.868 -0.031 0.000 0.921 559 T HN 0.519 8.759 8.240 -0.000 0.000 0.510 560 L N -0.118 121.029 121.223 -0.126 0.000 2.664 560 L HA 0.447 4.783 4.340 -0.007 0.000 0.233 560 L C 0.634 177.485 176.870 -0.033 0.000 1.113 560 L CA -0.276 54.455 54.840 -0.181 0.000 0.896 560 L CB -0.030 41.837 42.059 -0.321 0.000 1.163 560 L HN 0.196 8.426 8.230 -0.000 0.000 0.497 561 L N 1.046 122.282 121.223 0.022 0.000 2.461 561 L HA 0.090 4.426 4.340 -0.007 0.000 0.272 561 L C 0.296 177.312 176.870 0.244 0.000 1.197 561 L CA 0.287 55.227 54.840 0.166 0.000 0.836 561 L CB 0.360 42.515 42.059 0.160 0.000 1.105 561 L HN 0.065 8.295 8.230 -0.000 0.000 0.477 562 E N 2.355 122.727 120.200 0.286 0.000 2.176 562 E HA 0.232 4.578 4.350 -0.007 0.000 0.267 562 E C -0.942 175.804 176.600 0.243 0.000 0.893 562 E CA -0.735 55.809 56.400 0.240 0.000 0.761 562 E CB 2.036 31.827 29.700 0.153 0.000 1.133 562 E HN 0.218 8.578 8.360 -0.000 0.000 0.409 563 F N 2.611 122.563 119.950 0.003 0.000 2.495 563 F HA 0.117 4.640 4.527 -0.006 0.000 0.365 563 F C 0.228 175.930 175.800 -0.162 0.000 1.090 563 F CA 0.244 58.048 58.000 -0.328 0.000 1.235 563 F CB 0.523 39.359 39.000 -0.273 0.000 1.119 563 F HN 0.296 8.596 8.300 -0.000 0.000 0.562 564 E N 3.815 123.523 120.200 -0.819 0.000 2.340 564 E HA 0.556 4.902 4.350 -0.007 0.000 0.273 564 E C -1.552 174.602 176.600 -0.743 0.000 0.891 564 E CA -1.070 55.003 56.400 -0.544 0.000 0.757 564 E CB 2.766 32.453 29.700 -0.023 0.000 1.231 564 E HN 0.350 8.710 8.360 -0.000 0.000 0.439 565 V N 2.938 122.520 119.914 -0.553 0.000 2.656 565 V HA 0.532 4.647 4.120 -0.007 0.000 0.307 565 V C -1.092 174.839 176.094 -0.272 0.000 1.051 565 V CA -0.597 61.505 62.300 -0.331 0.000 0.893 565 V CB 1.070 32.694 31.823 -0.332 0.000 0.999 565 V HN 0.535 8.725 8.190 -0.000 0.000 0.426 566 F N 1.758 121.670 119.950 -0.063 0.000 2.611 566 F HA 0.635 5.157 4.527 -0.007 0.000 0.324 566 F C 0.306 175.943 175.800 -0.271 0.000 1.061 566 F CA -0.678 57.264 58.000 -0.097 0.000 0.954 566 F CB 2.068 40.989 39.000 -0.133 0.000 1.301 566 F HN 0.342 8.642 8.300 -0.000 0.000 0.482 567 Q N 1.225 120.926 119.800 -0.165 0.000 2.297 567 Q HA 0.429 4.765 4.340 -0.007 0.000 0.269 567 Q C -2.581 173.162 176.000 -0.429 0.000 1.051 567 Q CA -2.239 53.188 55.803 -0.626 0.000 0.869 567 Q CB 1.731 30.168 28.738 -0.503 0.000 1.346 567 Q HN 0.161 8.431 8.270 -0.000 0.000 0.457 568 P HA -0.130 4.290 4.420 -0.000 0.000 0.261 568 P C -0.417 176.755 177.300 -0.213 0.000 1.173 568 P CA 1.285 64.216 63.100 -0.280 0.000 0.760 568 P CB 0.452 32.026 31.700 -0.211 0.000 0.783 569 A N 2.674 125.362 122.820 -0.220 0.000 3.383 569 A HA -0.213 4.102 4.320 -0.007 0.000 0.264 569 A C 0.480 177.908 177.584 -0.261 0.000 1.154 569 A CA 0.984 52.879 52.037 -0.236 0.000 1.179 569 A CB -2.603 16.313 19.000 -0.140 0.000 1.133 569 A HN 0.503 8.653 8.150 -0.000 0.000 0.933 570 D N -0.550 119.729 120.400 -0.202 0.000 2.455 570 D HA 0.396 5.032 4.640 -0.007 0.000 0.241 570 D C -0.026 176.111 176.300 -0.272 0.000 1.138 570 D CA 0.654 54.588 54.000 -0.110 0.000 0.877 570 D CB 0.055 40.887 40.800 0.053 0.000 1.187 570 D HN 0.385 8.755 8.370 -0.000 0.000 0.451 571 Y N 1.685 121.910 120.300 -0.124 0.000 2.504 571 Y HA 0.072 4.618 4.550 -0.007 0.000 0.351 571 Y C 1.556 177.296 175.900 -0.268 0.000 0.988 571 Y CA -0.527 57.460 58.100 -0.188 0.000 1.239 571 Y CB 0.690 39.074 38.460 -0.126 0.000 1.128 571 Y HN 0.161 8.441 8.280 -0.000 0.000 0.525 572 V N 4.036 123.707 119.914 -0.405 0.000 2.453 572 V HA -0.150 3.966 4.120 -0.007 0.000 0.247 572 V C 0.682 176.601 176.094 -0.291 0.000 1.048 572 V CA 1.323 63.209 62.300 -0.691 0.000 1.049 572 V CB -0.301 30.892 31.823 -1.051 0.000 0.672 572 V HN 0.553 8.743 8.190 -0.000 0.000 0.457 573 I N -0.029 120.447 120.570 -0.155 0.000 2.619 573 I HA 0.384 4.550 4.170 -0.007 0.000 0.292 573 I C -0.921 175.205 176.117 0.014 0.000 1.100 573 I CA -0.487 60.801 61.300 -0.019 0.000 1.043 573 I CB 2.397 40.409 38.000 0.020 0.000 1.239 573 I HN 0.072 8.282 8.210 -0.000 0.000 0.420 574 Q N 4.934 124.735 119.800 0.001 0.000 2.307 574 Q HA 0.265 4.601 4.340 -0.007 0.000 0.262 574 Q C -0.396 175.581 176.000 -0.037 0.000 0.961 574 Q CA -0.631 55.142 55.803 -0.050 0.000 0.882 574 Q CB 2.525 31.203 28.738 -0.100 0.000 1.264 574 Q HN 0.488 8.758 8.270 -0.000 0.000 0.446 575 E N 0.507 120.680 120.200 -0.045 0.000 2.452 575 E HA 0.023 4.369 4.350 -0.007 0.000 0.261 575 E C 0.551 177.125 176.600 -0.045 0.000 0.987 575 E CA 1.370 57.750 56.400 -0.033 0.000 0.926 575 E CB 0.370 30.048 29.700 -0.037 0.000 0.934 575 E HN 0.877 9.237 8.360 -0.000 0.000 0.452 576 G N 3.247 112.031 108.800 -0.027 0.000 2.175 576 G HA2 -0.276 3.680 3.960 -0.007 0.000 0.244 576 G HA3 -0.276 3.680 3.960 -0.007 0.000 0.244 576 G C 0.453 175.305 174.900 -0.081 0.000 0.982 576 G CA 0.666 45.740 45.100 -0.044 0.000 0.641 576 G HN 0.825 9.115 8.290 -0.000 0.000 0.527 577 T N -1.376 113.141 114.554 -0.063 0.000 2.897 577 T HA 0.738 5.084 4.350 -0.007 0.000 0.278 577 T C 0.261 174.979 174.700 0.030 0.000 0.981 577 T CA -0.840 61.194 62.100 -0.110 0.000 0.973 577 T CB 1.516 70.347 68.868 -0.061 0.000 1.092 577 T HN 0.267 8.507 8.240 -0.000 0.000 0.543 578 F N 0.557 120.505 119.950 -0.002 0.000 2.410 578 F HA 0.596 5.119 4.527 -0.007 0.000 0.334 578 F C 1.207 177.008 175.800 0.002 0.000 1.134 578 F CA -1.058 56.940 58.000 -0.004 0.000 1.227 578 F CB 0.419 39.416 39.000 -0.005 0.000 1.194 578 F HN 0.917 9.217 8.300 -0.000 0.000 0.571 579 G N 0.656 109.570 108.800 0.190 0.000 2.416 579 G HA2 0.451 4.407 3.960 -0.007 0.000 0.329 579 G HA3 0.451 4.407 3.960 -0.007 0.000 0.329 579 G C -0.441 174.474 174.900 0.025 0.000 1.173 579 G CA -0.640 44.514 45.100 0.090 0.000 0.929 579 G HN 0.600 8.890 8.290 -0.000 0.000 0.475 580 D N -0.361 120.048 120.400 0.016 0.000 2.433 580 D HA 0.082 4.718 4.640 -0.007 0.000 0.211 580 D C 0.822 177.065 176.300 -0.095 0.000 1.114 580 D CA -0.144 53.840 54.000 -0.027 0.000 0.837 580 D CB 0.467 41.275 40.800 0.012 0.000 0.984 580 D HN 0.666 9.036 8.370 -0.000 0.000 0.505 581 R N -0.701 119.706 120.500 -0.155 0.000 2.728 581 R HA 0.518 4.854 4.340 -0.007 0.000 0.274 581 R C -1.108 174.916 176.300 -0.460 0.000 1.032 581 R CA -0.954 54.965 56.100 -0.301 0.000 0.866 581 R CB 0.756 30.850 30.300 -0.343 0.000 1.263 581 R HN 0.088 8.358 8.270 -0.000 0.000 0.475 582 M N -0.090 119.175 119.600 -0.559 0.000 2.821 582 M HA 0.730 5.206 4.480 -0.007 0.000 0.304 582 M C -1.501 174.271 176.300 -0.879 0.000 1.233 582 M CA -0.789 54.159 55.300 -0.587 0.000 0.851 582 M CB 1.885 34.211 32.600 -0.457 0.000 1.723 582 M HN 0.459 8.749 8.290 -0.000 0.000 0.493 583 F N 0.286 119.880 119.950 -0.593 0.000 2.556 583 F HA 0.642 5.164 4.527 -0.007 0.000 0.314 583 F C -1.362 174.044 175.800 -0.656 0.000 1.106 583 F CA -0.447 57.193 58.000 -0.599 0.000 0.911 583 F CB 1.849 40.229 39.000 -1.033 0.000 1.190 583 F HN 0.407 8.707 8.300 -0.000 0.000 0.448 584 F N 3.161 123.172 119.950 0.101 0.000 2.436 584 F HA 0.550 5.074 4.527 -0.005 0.000 0.340 584 F C 0.099 176.060 175.800 0.267 0.000 1.113 584 F CA -0.829 57.293 58.000 0.203 0.000 1.022 584 F CB 1.311 40.473 39.000 0.270 0.000 1.128 584 F HN 0.191 8.491 8.300 -0.000 0.000 0.466 585 I N 3.426 124.239 120.570 0.406 0.000 2.322 585 I HA 0.102 4.268 4.170 -0.007 0.000 0.292 585 I C 1.022 177.366 176.117 0.379 0.000 1.060 585 I CA 0.084 61.601 61.300 0.362 0.000 1.309 585 I CB 1.387 39.566 38.000 0.300 0.000 1.415 585 I HN 0.792 9.002 8.210 -0.000 0.000 0.492 586 Q N 5.583 125.636 119.800 0.421 0.000 2.008 586 Q HA 0.047 4.383 4.340 -0.007 0.000 0.196 586 Q C 0.189 176.360 176.000 0.284 0.000 0.973 586 Q CA 1.148 57.193 55.803 0.403 0.000 0.826 586 Q CB 0.513 29.581 28.738 0.550 0.000 0.894 586 Q HN 0.647 8.917 8.270 -0.000 0.000 0.439 587 Q N -1.366 118.594 119.800 0.266 0.000 2.315 587 Q HA 0.577 4.913 4.340 -0.007 0.000 0.273 587 Q C -1.302 174.810 176.000 0.187 0.000 1.053 587 Q CA -0.186 55.742 55.803 0.208 0.000 0.817 587 Q CB 2.567 31.426 28.738 0.203 0.000 1.326 587 Q HN 0.484 8.754 8.270 -0.000 0.000 0.423 588 G N 1.224 110.111 108.800 0.145 0.000 2.347 588 G HA2 0.135 4.091 3.960 -0.007 0.000 0.477 588 G HA3 0.135 4.091 3.960 -0.007 0.000 0.477 588 G C -1.727 173.214 174.900 0.069 0.000 1.349 588 G CA -1.027 44.138 45.100 0.108 0.000 1.000 588 G HN 0.463 8.753 8.290 -0.000 0.000 0.605 589 I N 0.494 121.076 120.570 0.021 0.000 2.498 589 I HA 0.605 4.771 4.170 -0.007 0.000 0.290 589 I C 0.338 176.403 176.117 -0.086 0.000 1.032 589 I CA -1.299 59.989 61.300 -0.020 0.000 1.073 589 I CB 1.987 39.973 38.000 -0.023 0.000 1.251 589 I HN 0.751 8.961 8.210 -0.000 0.000 0.426 590 V N 1.292 121.126 119.914 -0.133 0.000 2.864 590 V HA 0.656 4.772 4.120 -0.007 0.000 0.314 590 V C -0.998 174.951 176.094 -0.241 0.000 1.073 590 V CA -0.630 61.519 62.300 -0.252 0.000 0.956 590 V CB 2.252 33.816 31.823 -0.432 0.000 1.023 590 V HN 0.495 8.685 8.190 -0.000 0.000 0.435 591 D N 3.120 123.360 120.400 -0.266 0.000 2.168 591 D HA 0.524 5.160 4.640 -0.007 0.000 0.246 591 D C -0.428 175.726 176.300 -0.243 0.000 1.050 591 D CA -0.191 53.680 54.000 -0.214 0.000 0.857 591 D CB 1.958 42.649 40.800 -0.181 0.000 1.169 591 D HN 0.454 8.824 8.370 -0.000 0.000 0.453 592 I N 3.233 123.690 120.570 -0.188 0.000 2.304 592 I HA 0.288 4.454 4.170 -0.007 0.000 0.291 592 I C 0.342 176.396 176.117 -0.105 0.000 1.018 592 I CA -0.360 60.842 61.300 -0.164 0.000 1.260 592 I CB 0.200 38.121 38.000 -0.131 0.000 1.390 592 I HN 0.181 8.391 8.210 -0.000 0.000 0.475 593 I N 6.543 127.063 120.570 -0.083 0.000 2.355 593 I HA 0.308 4.474 4.170 -0.007 0.000 0.288 593 I C 0.281 176.380 176.117 -0.029 0.000 0.999 593 I CA -0.677 60.598 61.300 -0.042 0.000 1.163 593 I CB 1.437 39.435 38.000 -0.005 0.000 1.316 593 I HN 0.332 8.542 8.210 -0.000 0.000 0.454 594 M N 3.290 122.873 119.600 -0.028 0.000 2.157 594 M HA 0.080 4.556 4.480 -0.007 0.000 0.304 594 M C 1.695 177.982 176.300 -0.022 0.000 1.171 594 M CA 0.070 55.356 55.300 -0.024 0.000 1.157 594 M CB 0.319 32.906 32.600 -0.022 0.000 1.403 594 M HN 0.719 9.009 8.290 -0.000 0.000 0.473 595 S N -0.185 115.501 115.700 -0.022 0.000 2.469 595 S HA -0.170 4.296 4.470 -0.007 0.000 0.238 595 S C 0.796 175.380 174.600 -0.026 0.000 0.998 595 S CA 1.358 59.541 58.200 -0.027 0.000 0.957 595 S CB -0.739 62.446 63.200 -0.026 0.000 0.764 595 S HN 0.758 9.068 8.310 -0.000 0.000 0.514 596 D N -0.408 119.979 120.400 -0.022 0.000 2.350 596 D HA 0.352 4.988 4.640 -0.007 0.000 0.213 596 D C 1.453 177.742 176.300 -0.019 0.000 1.031 596 D CA 0.573 54.561 54.000 -0.020 0.000 0.861 596 D CB -0.392 40.398 40.800 -0.017 0.000 0.926 596 D HN 0.528 8.898 8.370 -0.000 0.000 0.520 597 G N -0.365 108.424 108.800 -0.018 0.000 2.195 597 G HA2 -0.254 3.702 3.960 -0.007 0.000 0.224 597 G HA3 -0.254 3.702 3.960 -0.007 0.000 0.224 597 G C 0.167 175.058 174.900 -0.016 0.000 0.990 597 G CA 0.004 45.096 45.100 -0.014 0.000 0.639 597 G HN 0.546 8.836 8.290 -0.000 0.000 0.514 598 V N 2.198 122.100 119.914 -0.020 0.000 2.637 598 V HA 0.521 4.637 4.120 -0.007 0.000 0.296 598 V C 0.914 176.990 176.094 -0.030 0.000 1.046 598 V CA -0.484 61.802 62.300 -0.023 0.000 1.066 598 V CB 0.806 32.616 31.823 -0.021 0.000 0.968 598 V HN 0.272 8.462 8.190 -0.000 0.000 0.483 599 I N 7.579 128.128 120.570 -0.035 0.000 2.363 599 I HA 0.227 4.393 4.170 -0.007 0.000 0.292 599 I C 1.395 177.485 176.117 -0.045 0.000 1.075 599 I CA 0.270 61.542 61.300 -0.047 0.000 1.333 599 I CB 1.095 39.062 38.000 -0.054 0.000 1.415 599 I HN 0.828 9.038 8.210 -0.000 0.000 0.502 600 A N 4.574 127.365 122.820 -0.048 0.000 1.897 600 A HA 0.010 4.326 4.320 -0.007 0.000 0.215 600 A C 1.136 178.693 177.584 -0.046 0.000 1.181 600 A CA 1.490 53.502 52.037 -0.042 0.000 0.620 600 A CB 0.088 19.064 19.000 -0.041 0.000 0.821 600 A HN 0.677 8.827 8.150 -0.000 0.000 0.443 601 T N -3.017 111.501 114.554 -0.059 0.000 2.686 601 T HA 0.487 4.833 4.350 -0.007 0.000 0.308 601 T C -1.623 173.029 174.700 -0.080 0.000 1.667 601 T CA -0.042 62.022 62.100 -0.060 0.000 0.987 601 T CB 0.940 69.775 68.868 -0.054 0.000 1.652 601 T HN 0.165 8.405 8.240 -0.000 0.000 0.496 602 S N 0.982 116.638 115.700 -0.073 0.000 2.536 602 S HA 0.848 5.314 4.470 -0.007 0.000 0.298 602 S C -1.082 173.475 174.600 -0.072 0.000 1.083 602 S CA -0.739 57.409 58.200 -0.087 0.000 0.995 602 S CB 1.155 64.311 63.200 -0.073 0.000 1.058 602 S HN 0.577 8.887 8.310 -0.000 0.000 0.488 603 L N 1.981 123.156 121.223 -0.080 0.000 2.341 603 L HA 0.775 5.111 4.340 -0.007 0.000 0.267 603 L C 0.140 177.010 176.870 0.000 0.000 1.009 603 L CA -0.464 54.354 54.840 -0.036 0.000 0.819 603 L CB 2.178 44.225 42.059 -0.020 0.000 1.323 603 L HN 0.888 9.118 8.230 -0.000 0.000 0.425 604 S N -1.337 114.385 115.700 0.037 0.000 2.973 604 S HA 0.411 4.877 4.470 -0.007 0.000 0.317 604 S C -1.379 173.285 174.600 0.106 0.000 1.196 604 S CA -1.060 57.180 58.200 0.066 0.000 0.894 604 S CB 0.920 64.148 63.200 0.046 0.000 1.292 604 S HN 0.496 8.806 8.310 -0.000 0.000 0.614 605 D N 1.202 121.671 120.400 0.114 0.000 2.658 605 D HA 0.398 5.034 4.640 -0.007 0.000 0.230 605 D C 1.382 177.768 176.300 0.142 0.000 1.118 605 D CA 2.406 56.492 54.000 0.143 0.000 0.848 605 D CB -0.438 40.435 40.800 0.123 0.000 1.160 605 D HN 1.305 9.675 8.370 -0.000 0.000 0.497 606 G N 1.179 110.093 108.800 0.190 0.000 2.195 606 G HA2 -0.266 3.690 3.960 -0.007 0.000 0.246 606 G HA3 -0.266 3.690 3.960 -0.007 0.000 0.246 606 G C 0.646 175.655 174.900 0.182 0.000 0.984 606 G CA 0.397 45.613 45.100 0.193 0.000 0.633 606 G HN 0.708 8.998 8.290 -0.000 0.000 0.525 607 S N -0.453 115.334 115.700 0.145 0.000 2.694 607 S HA 0.871 5.337 4.470 -0.007 0.000 0.278 607 S C -0.211 174.461 174.600 0.120 0.000 1.152 607 S CA 0.280 58.501 58.200 0.035 0.000 1.010 607 S CB 0.789 63.984 63.200 -0.009 0.000 1.104 607 S HN 1.484 9.794 8.310 -0.000 0.000 0.547 608 Y N -0.642 119.667 120.300 0.015 0.000 2.625 608 Y HA 0.791 5.336 4.550 -0.007 0.000 0.338 608 Y C -1.125 174.740 175.900 -0.059 0.000 1.123 608 Y CA -2.049 55.929 58.100 -0.203 0.000 1.046 608 Y CB 0.477 38.554 38.460 -0.638 0.000 1.299 608 Y HN 0.692 8.972 8.280 -0.000 0.000 0.464 609 F N -1.925 118.112 119.950 0.146 0.000 2.713 609 F HA 0.763 5.286 4.527 -0.007 0.000 0.311 609 F C 0.376 176.244 175.800 0.114 0.000 1.141 609 F CA -1.274 56.785 58.000 0.098 0.000 0.939 609 F CB 1.591 40.594 39.000 0.005 0.000 1.325 609 F HN 1.228 9.528 8.300 -0.000 0.000 0.453 610 G N 0.556 109.549 108.800 0.322 0.000 2.141 610 G HA2 -0.259 3.697 3.960 -0.007 0.000 0.242 610 G HA3 -0.259 3.697 3.960 -0.007 0.000 0.242 610 G C 0.673 175.544 174.900 -0.048 0.000 0.982 610 G CA 0.400 45.621 45.100 0.200 0.000 0.662 610 G HN 1.173 9.463 8.290 -0.000 0.000 0.527 611 E N 0.392 120.553 120.200 -0.064 0.000 2.250 611 E HA 0.032 4.378 4.350 -0.007 0.000 0.192 611 E C 2.350 178.867 176.600 -0.137 0.000 0.986 611 E CA 0.769 57.049 56.400 -0.200 0.000 0.849 611 E CB -0.212 29.416 29.700 -0.121 0.000 0.797 611 E HN 0.391 8.751 8.360 -0.000 0.000 0.482 612 I N 1.993 122.547 120.570 -0.027 0.000 2.127 612 I HA -0.248 3.918 4.170 -0.007 0.000 0.241 612 I C 2.866 178.964 176.117 -0.031 0.000 1.075 612 I CA 0.917 62.217 61.300 -0.001 0.000 1.334 612 I CB -1.707 36.310 38.000 0.027 0.000 1.040 612 I HN 0.312 8.522 8.210 -0.000 0.000 0.405 613 C N 1.241 120.516 119.300 -0.041 0.000 2.413 613 C HA -0.145 4.311 4.460 -0.007 0.000 0.277 613 C C 2.883 177.808 174.990 -0.109 0.000 1.265 613 C CA 0.626 59.619 59.018 -0.042 0.000 1.752 613 C CB -1.177 26.557 27.740 -0.009 0.000 1.998 613 C HN 0.428 8.658 8.230 -0.000 0.000 0.489 614 L N -0.042 121.038 121.223 -0.238 0.000 2.217 614 L HA -0.059 4.277 4.340 -0.007 0.000 0.211 614 L C 2.483 179.260 176.870 -0.155 0.000 1.107 614 L CA 1.087 55.703 54.840 -0.374 0.000 0.783 614 L CB -0.557 40.881 42.059 -1.036 0.000 0.919 614 L HN 0.395 8.625 8.230 -0.000 0.000 0.442 615 L N -0.517 120.672 121.223 -0.057 0.000 2.131 615 L HA -0.094 4.242 4.340 -0.007 0.000 0.206 615 L C 2.688 179.591 176.870 0.054 0.000 1.087 615 L CA 1.611 56.510 54.840 0.097 0.000 0.767 615 L CB -0.572 41.560 42.059 0.120 0.000 0.917 615 L HN 0.372 8.602 8.230 -0.000 0.000 0.441 616 T N -3.884 110.679 114.554 0.016 0.000 3.057 616 T HA 0.037 4.383 4.350 -0.007 0.000 0.254 616 T C 1.126 175.821 174.700 -0.008 0.000 1.094 616 T CA -0.180 61.927 62.100 0.013 0.000 1.088 616 T CB 0.009 68.885 68.868 0.014 0.000 0.934 616 T HN 0.239 8.479 8.240 -0.000 0.000 0.497 617 R N 0.894 121.375 120.500 -0.032 0.000 3.758 617 R HA -0.146 4.190 4.340 -0.007 0.000 0.299 617 R C 0.250 176.500 176.300 -0.084 0.000 1.182 617 R CA 1.071 57.127 56.100 -0.073 0.000 0.809 617 R CB -1.542 28.718 30.300 -0.066 0.000 1.249 617 R HN 0.536 8.806 8.270 -0.000 0.000 0.497 618 E N 0.637 120.820 120.200 -0.027 0.000 3.432 618 E HA 0.363 4.708 4.350 -0.007 0.000 0.385 618 E C 0.377 177.043 176.600 0.109 0.000 0.439 618 E CA -0.267 56.149 56.400 0.027 0.000 2.317 618 E CB 0.400 30.125 29.700 0.042 0.000 2.175 618 E HN 0.176 8.536 8.360 -0.000 0.000 0.450 619 R N 0.243 120.824 120.500 0.135 0.000 2.892 619 R HA 0.424 4.759 4.340 -0.007 0.000 0.265 619 R C -0.183 176.172 176.300 0.093 0.000 1.025 619 R CA -0.988 55.217 56.100 0.175 0.000 0.982 619 R CB 1.095 31.486 30.300 0.151 0.000 1.185 619 R HN 0.065 8.335 8.270 -0.000 0.000 0.484 620 R N 1.342 121.893 120.500 0.084 0.000 2.538 620 R HA -0.022 4.314 4.340 -0.007 0.000 0.282 620 R C 1.008 177.327 176.300 0.032 0.000 1.009 620 R CA 0.126 56.259 56.100 0.054 0.000 1.063 620 R CB 0.233 30.563 30.300 0.051 0.000 0.945 620 R HN 0.626 8.896 8.270 -0.000 0.000 0.414 621 V N -1.057 118.873 119.914 0.027 0.000 3.647 621 V HA 0.473 4.589 4.120 -0.007 0.000 0.279 621 V C 0.551 176.646 176.094 0.001 0.000 1.314 621 V CA 0.772 63.080 62.300 0.014 0.000 1.125 621 V CB -0.103 31.730 31.823 0.016 0.000 0.907 621 V HN 0.694 8.884 8.190 -0.000 0.000 0.434 622 A N -0.656 122.163 122.820 -0.002 0.000 2.610 622 A HA 0.787 5.103 4.320 -0.007 0.000 0.291 622 A C -0.435 177.136 177.584 -0.022 0.000 1.086 622 A CA -0.235 51.791 52.037 -0.018 0.000 0.677 622 A CB 1.199 20.182 19.000 -0.029 0.000 1.278 622 A HN 0.217 8.367 8.150 -0.000 0.000 0.414 623 S N -0.686 115.000 115.700 -0.023 0.000 2.654 623 S HA 0.677 5.143 4.470 -0.007 0.000 0.283 623 S C -0.544 174.009 174.600 -0.079 0.000 1.180 623 S CA -0.489 57.709 58.200 -0.002 0.000 1.021 623 S CB 1.473 64.724 63.200 0.085 0.000 1.018 623 S HN 0.898 9.208 8.310 -0.000 0.000 0.532 624 V N 2.228 122.055 119.914 -0.144 0.000 2.483 624 V HA 0.498 4.614 4.120 -0.007 0.000 0.297 624 V C -0.291 175.550 176.094 -0.421 0.000 1.027 624 V CA -0.673 61.392 62.300 -0.392 0.000 0.855 624 V CB 1.510 32.892 31.823 -0.735 0.000 0.995 624 V HN 0.776 8.966 8.190 -0.000 0.000 0.424 625 K N 3.495 123.610 120.400 -0.476 0.000 2.345 625 K HA 0.553 4.868 4.320 -0.007 0.000 0.255 625 K C -0.814 175.503 176.600 -0.471 0.000 0.934 625 K CA -0.463 55.454 56.287 -0.617 0.000 0.801 625 K CB 1.546 33.569 32.500 -0.794 0.000 1.137 625 K HN 0.743 8.993 8.250 -0.000 0.000 0.424 626 C N 3.794 122.837 119.300 -0.427 0.000 2.632 626 C HA 0.110 4.566 4.460 -0.007 0.000 0.415 626 C C 1.598 176.439 174.990 -0.249 0.000 1.332 626 C CA -0.508 58.329 59.018 -0.301 0.000 1.874 626 C CB 0.042 27.635 27.740 -0.245 0.000 2.596 626 C HN 0.872 9.102 8.230 -0.000 0.000 0.590 627 E N 0.739 120.829 120.200 -0.184 0.000 2.140 627 E HA -0.008 4.337 4.350 -0.007 0.000 0.191 627 E C 1.239 177.778 176.600 -0.102 0.000 0.973 627 E CA 0.924 57.242 56.400 -0.137 0.000 0.829 627 E CB 0.196 29.834 29.700 -0.103 0.000 0.781 627 E HN 0.905 9.265 8.360 -0.000 0.000 0.466 628 T N -2.676 111.828 114.554 -0.082 0.000 2.807 628 T HA 0.392 4.738 4.350 -0.007 0.000 0.277 628 T C -0.062 174.591 174.700 -0.078 0.000 1.006 628 T CA -0.818 61.265 62.100 -0.028 0.000 1.006 628 T CB 0.585 69.476 68.868 0.038 0.000 1.274 628 T HN -0.158 8.082 8.240 -0.000 0.000 0.569 629 Y N -0.314 119.904 120.300 -0.137 0.000 2.610 629 Y HA 0.367 4.913 4.550 -0.007 0.000 0.332 629 Y C 0.601 176.442 175.900 -0.097 0.000 1.201 629 Y CA 0.022 57.970 58.100 -0.253 0.000 1.465 629 Y CB 0.203 38.270 38.460 -0.654 0.000 1.283 629 Y HN 0.709 8.989 8.280 -0.000 0.000 0.563 630 C N 2.534 121.870 119.300 0.060 0.000 2.441 630 C HA 0.511 4.967 4.460 -0.007 0.000 0.318 630 C C -0.302 174.776 174.990 0.146 0.000 1.222 630 C CA -1.080 58.011 59.018 0.122 0.000 1.474 630 C CB 0.724 28.517 27.740 0.090 0.000 2.125 630 C HN 0.857 9.087 8.230 -0.000 0.000 0.479 631 T N 2.218 116.877 114.554 0.174 0.000 2.758 631 T HA 0.772 5.118 4.350 -0.007 0.000 0.285 631 T C -0.721 174.043 174.700 0.106 0.000 0.981 631 T CA -0.440 61.714 62.100 0.090 0.000 0.965 631 T CB 0.420 69.459 68.868 0.286 0.000 0.927 631 T HN 0.522 8.762 8.240 -0.000 0.000 0.448 632 L N 2.442 123.635 121.223 -0.050 0.000 2.323 632 L HA 0.722 5.058 4.340 -0.007 0.000 0.265 632 L C -1.020 175.808 176.870 -0.069 0.000 1.012 632 L CA -1.343 53.577 54.840 0.135 0.000 0.820 632 L CB 1.982 44.213 42.059 0.287 0.000 1.334 632 L HN 0.578 8.808 8.230 -0.000 0.000 0.427 633 F N 0.172 120.324 119.950 0.338 0.000 2.477 633 F HA 0.394 4.918 4.527 -0.006 0.000 0.335 633 F C 0.357 176.328 175.800 0.285 0.000 1.130 633 F CA -0.551 57.635 58.000 0.310 0.000 0.948 633 F CB 2.191 41.364 39.000 0.288 0.000 1.154 633 F HN 0.394 8.694 8.300 -0.000 0.000 0.439 634 S N 3.369 119.233 115.700 0.274 0.000 2.617 634 S HA 0.813 5.279 4.470 -0.007 0.000 0.283 634 S C -1.176 173.483 174.600 0.099 0.000 1.189 634 S CA -0.724 57.468 58.200 -0.013 0.000 1.036 634 S CB 2.040 65.075 63.200 -0.275 0.000 1.014 634 S HN 0.559 8.869 8.310 -0.000 0.000 0.522 635 L N 2.636 123.874 121.223 0.025 0.000 2.376 635 L HA 0.545 4.881 4.340 -0.007 0.000 0.275 635 L C 0.219 177.122 176.870 0.054 0.000 0.987 635 L CA -0.076 54.856 54.840 0.153 0.000 0.828 635 L CB 1.854 44.094 42.059 0.302 0.000 1.249 635 L HN 1.038 9.268 8.230 -0.000 0.000 0.409 636 S N 3.063 118.824 115.700 0.102 0.000 2.589 636 S HA 0.113 4.579 4.470 -0.007 0.000 0.265 636 S C 1.269 175.871 174.600 0.003 0.000 1.342 636 S CA 0.110 58.298 58.200 -0.019 0.000 1.005 636 S CB 1.236 64.377 63.200 -0.099 0.000 0.909 636 S HN 0.723 9.033 8.310 -0.000 0.000 0.555 637 V N 2.006 121.884 119.914 -0.060 0.000 2.407 637 V HA -0.198 3.918 4.120 -0.007 0.000 0.248 637 V C 2.629 178.761 176.094 0.062 0.000 1.055 637 V CA 2.374 64.661 62.300 -0.022 0.000 1.049 637 V CB -1.039 30.738 31.823 -0.077 0.000 0.662 637 V HN 0.957 9.147 8.190 -0.000 0.000 0.455 638 Q N -0.874 118.897 119.800 -0.049 0.000 2.050 638 Q HA -0.238 4.098 4.340 -0.007 0.000 0.202 638 Q C 2.075 178.089 176.000 0.024 0.000 0.980 638 Q CA 2.092 57.856 55.803 -0.064 0.000 0.840 638 Q CB -1.028 27.597 28.738 -0.189 0.000 0.898 638 Q HN 0.747 9.017 8.270 -0.000 0.000 0.424 639 H N 0.019 119.156 119.070 0.112 0.000 2.389 639 H HA -0.024 4.529 4.556 -0.006 0.000 0.299 639 H C 1.899 177.320 175.328 0.156 0.000 1.081 639 H CA 0.990 57.105 56.048 0.113 0.000 1.345 639 H CB -0.704 29.115 29.762 0.095 0.000 1.393 639 H HN 0.283 8.563 8.280 -0.000 0.000 0.520 640 F N 2.446 122.486 119.950 0.150 0.000 2.065 640 F HA -0.257 4.266 4.527 -0.007 0.000 0.298 640 F C 2.088 177.960 175.800 0.120 0.000 1.112 640 F CA 1.479 59.548 58.000 0.116 0.000 1.212 640 F CB -0.171 38.855 39.000 0.043 0.000 0.975 640 F HN 0.016 8.316 8.300 -0.000 0.000 0.476 641 N N 0.278 119.139 118.700 0.269 0.000 2.244 641 N HA -0.156 4.579 4.740 -0.007 0.000 0.183 641 N C 1.790 177.342 175.510 0.071 0.000 1.016 641 N CA 1.288 54.420 53.050 0.137 0.000 0.866 641 N CB -0.360 38.228 38.487 0.168 0.000 0.980 641 N HN 0.574 8.954 8.380 -0.000 0.000 0.430 642 Q N 0.289 120.154 119.800 0.108 0.000 2.016 642 Q HA -0.091 4.245 4.340 -0.007 0.000 0.200 642 Q C 2.267 178.331 176.000 0.105 0.000 0.978 642 Q CA 1.725 57.590 55.803 0.103 0.000 0.833 642 Q CB -0.126 28.701 28.738 0.148 0.000 0.895 642 Q HN 0.360 8.630 8.270 -0.000 0.000 0.427 643 V N -1.605 118.390 119.914 0.134 0.000 2.515 643 V HA -0.162 3.954 4.120 -0.007 0.000 0.250 643 V C 1.895 178.184 176.094 0.324 0.000 1.058 643 V CA 1.175 63.623 62.300 0.248 0.000 1.064 643 V CB -0.443 31.485 31.823 0.176 0.000 0.675 643 V HN 0.159 8.349 8.190 -0.000 0.000 0.461 644 L N 0.900 122.185 121.223 0.103 0.000 2.217 644 L HA 0.029 4.364 4.340 -0.007 0.000 0.211 644 L C 2.173 179.076 176.870 0.054 0.000 1.107 644 L CA 1.775 56.644 54.840 0.049 0.000 0.783 644 L CB -1.015 40.938 42.059 -0.177 0.000 0.919 644 L HN 0.328 8.558 8.230 -0.000 0.000 0.442 645 D N -0.890 119.531 120.400 0.034 0.000 2.137 645 D HA -0.164 4.471 4.640 -0.007 0.000 0.202 645 D C 2.094 178.365 176.300 -0.048 0.000 0.970 645 D CA 0.813 54.814 54.000 0.001 0.000 0.837 645 D CB 0.144 40.945 40.800 0.002 0.000 0.981 645 D HN 0.373 8.743 8.370 -0.000 0.000 0.475 646 E N -0.974 119.184 120.200 -0.070 0.000 2.150 646 E HA -0.104 4.242 4.350 -0.007 0.000 0.193 646 E C -0.195 176.035 176.600 -0.617 0.000 0.985 646 E CA 0.617 56.813 56.400 -0.340 0.000 0.814 646 E CB 0.149 29.640 29.700 -0.348 0.000 0.752 646 E HN 0.144 8.504 8.360 -0.000 0.000 0.466 647 F N -0.401 119.597 119.950 0.080 0.000 2.550 647 F HA 0.311 4.834 4.527 -0.007 0.000 0.348 647 F C -2.083 173.696 175.800 -0.035 0.000 1.219 647 F CA -2.189 55.832 58.000 0.035 0.000 1.203 647 F CB 1.606 40.669 39.000 0.105 0.000 1.436 647 F HN -0.053 8.247 8.300 -0.000 0.000 0.541 648 P HA -0.196 4.224 4.420 -0.000 0.000 0.218 648 P C 1.708 179.016 177.300 0.013 0.000 1.148 648 P CA 1.398 64.514 63.100 0.027 0.000 0.822 648 P CB 0.295 31.998 31.700 0.004 0.000 0.784 649 A N -1.078 121.743 122.820 0.002 0.000 1.986 649 A HA -0.218 4.098 4.320 -0.007 0.000 0.220 649 A C 2.100 179.640 177.584 -0.073 0.000 1.171 649 A CA 1.999 54.016 52.037 -0.035 0.000 0.640 649 A CB -1.358 17.613 19.000 -0.049 0.000 0.811 649 A HN 0.099 8.249 8.150 -0.000 0.000 0.451 650 M N -1.253 118.263 119.600 -0.139 0.000 2.419 650 M HA 0.083 4.559 4.480 -0.007 0.000 0.264 650 M C 1.951 178.284 176.300 0.054 0.000 1.082 650 M CA 1.040 56.240 55.300 -0.167 0.000 1.119 650 M CB -0.456 31.777 32.600 -0.611 0.000 1.398 650 M HN 0.524 8.814 8.290 -0.000 0.000 0.453 651 R N 0.484 121.002 120.500 0.030 0.000 2.092 651 R HA -0.147 4.188 4.340 -0.007 0.000 0.231 651 R C 2.296 178.634 176.300 0.063 0.000 1.119 651 R CA 2.020 58.142 56.100 0.037 0.000 0.970 651 R CB -0.149 30.162 30.300 0.019 0.000 0.864 651 R HN 0.295 8.565 8.270 -0.000 0.000 0.440 652 K N 0.194 120.623 120.400 0.048 0.000 2.002 652 K HA -0.137 4.179 4.320 -0.007 0.000 0.209 652 K C 2.081 178.728 176.600 0.078 0.000 1.048 652 K CA 2.078 58.396 56.287 0.051 0.000 0.930 652 K CB -1.856 30.661 32.500 0.029 0.000 0.714 652 K HN 0.633 8.883 8.250 -0.000 0.000 0.438 653 T N -1.423 113.189 114.554 0.096 0.000 2.788 653 T HA -0.161 4.185 4.350 -0.007 0.000 0.268 653 T C 2.177 177.011 174.700 0.223 0.000 1.044 653 T CA 1.909 64.103 62.100 0.156 0.000 1.139 653 T CB -0.274 68.690 68.868 0.161 0.000 0.867 653 T HN 0.382 8.622 8.240 -0.000 0.000 0.454 654 M N 1.287 121.021 119.600 0.224 0.000 2.099 654 M HA 0.053 4.529 4.480 -0.007 0.000 0.262 654 M C 2.220 178.594 176.300 0.123 0.000 1.067 654 M CA 1.726 57.109 55.300 0.138 0.000 1.124 654 M CB -0.312 32.327 32.600 0.064 0.000 1.353 654 M HN 0.294 8.584 8.290 -0.000 0.000 0.410 655 E N -0.135 120.132 120.200 0.111 0.000 2.118 655 E HA -0.242 4.104 4.350 -0.007 0.000 0.195 655 E C 1.873 178.524 176.600 0.085 0.000 0.992 655 E CA 1.745 58.202 56.400 0.094 0.000 0.804 655 E CB -0.216 29.531 29.700 0.078 0.000 0.741 655 E HN 0.658 9.018 8.360 -0.000 0.000 0.458 656 E N 0.191 120.444 120.200 0.088 0.000 2.110 656 E HA -0.190 4.156 4.350 -0.007 0.000 0.193 656 E C 1.916 178.561 176.600 0.075 0.000 0.988 656 E CA 0.861 57.306 56.400 0.075 0.000 0.804 656 E CB -0.027 29.717 29.700 0.073 0.000 0.745 656 E HN 0.200 8.560 8.360 -0.000 0.000 0.458 657 I N 1.036 121.666 120.570 0.099 0.000 2.439 657 I HA -0.170 3.996 4.170 -0.007 0.000 0.251 657 I C 2.281 178.441 176.117 0.072 0.000 1.139 657 I CA 0.881 62.231 61.300 0.085 0.000 1.438 657 I CB -0.449 37.623 38.000 0.120 0.000 1.085 657 I HN 0.026 8.236 8.210 -0.000 0.000 0.427 658 A N 0.389 123.263 122.820 0.090 0.000 1.883 658 A HA -0.174 4.142 4.320 -0.007 0.000 0.217 658 A C 2.426 180.041 177.584 0.052 0.000 1.186 658 A CA 2.338 54.420 52.037 0.075 0.000 0.624 658 A CB -1.165 17.884 19.000 0.081 0.000 0.822 658 A HN 0.246 8.396 8.150 -0.000 0.000 0.444 659 V N -0.029 119.915 119.914 0.049 0.000 2.295 659 V HA -0.209 3.906 4.120 -0.007 0.000 0.246 659 V C 2.013 178.124 176.094 0.029 0.000 1.049 659 V CA 1.846 64.168 62.300 0.037 0.000 1.024 659 V CB -0.970 30.874 31.823 0.036 0.000 0.648 659 V HN 0.475 8.665 8.190 -0.000 0.000 0.447 660 R N 0.673 121.191 120.500 0.030 0.000 2.535 660 R HA 0.141 4.477 4.340 -0.007 0.000 0.233 660 R C 0.232 176.538 176.300 0.010 0.000 1.202 660 R CA 0.078 56.190 56.100 0.019 0.000 1.205 660 R CB -0.262 30.051 30.300 0.021 0.000 1.153 660 R HN 0.484 8.754 8.270 -0.000 0.000 0.512 661 R N 1.189 121.697 120.500 0.013 0.000 2.505 661 R HA 0.248 4.584 4.340 -0.007 0.000 0.284 661 R C -0.001 176.303 176.300 0.006 0.000 1.324 661 R CA -0.314 55.788 56.100 0.005 0.000 1.432 661 R CB 0.680 30.985 30.300 0.009 0.000 1.107 661 R HN 0.014 8.284 8.270 -0.000 0.000 0.587 662 L N 0.000 121.225 121.223 0.003 0.000 2.949 662 L HA 0.000 4.336 4.340 -0.007 0.000 0.249 662 L CA 0.000 54.843 54.840 0.005 0.000 0.813 662 L CB 0.000 42.060 42.059 0.002 0.000 0.961 662 L HN 0.000 8.230 8.230 -0.000 0.000 0.502