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 2ixf_1_D DATA FIRST_RESID 468 DATA SEQUENCE SGSLAPLNMK GLVKFQDVSF AYPNHPNVQV LQGLTFTLYP GKVTALVGPN DATA SEQUENCE GSGKSTVAAL LQNLYQPTGG KVLLDGEPLV QYDHHYLHTQ VAAVGQXXLL DATA SEQUENCE FGRSFRENIA YGLTRTPTME EITAVAMESG AHDFISGFPQ GYDTEVGETG DATA SEQUENCE NQLSGGQRQA VALARALIRK PRLLILDQAT SALDAGNQLR VQRLLYESPE DATA SEQUENCE WASRTVLLIT HQLSLAERAH HILFLKEGSV CEQGTHLQLM ERGGCYRSMV DATA SEQUENCE EA 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 468 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 468 S C 0.000 174.591 174.600 -0.015 0.000 1.055 468 S CA 0.000 58.196 58.200 -0.007 0.000 1.107 468 S CB 0.000 63.195 63.200 -0.009 0.000 0.593 469 G N 1.376 110.183 108.800 0.011 0.000 2.475 469 G HA2 0.529 4.488 3.960 -0.001 0.000 0.322 469 G HA3 0.529 4.488 3.960 -0.001 0.000 0.322 469 G C -0.123 174.780 174.900 0.006 0.000 1.044 469 G CA -0.113 44.992 45.100 0.009 0.000 1.047 469 G HN 0.221 8.511 8.290 -0.000 0.000 0.436 470 S N 1.596 117.269 115.700 -0.045 0.000 2.846 470 S HA 0.192 4.662 4.470 -0.001 0.000 0.249 470 S C 0.090 174.625 174.600 -0.109 0.000 1.028 470 S CA -0.344 57.825 58.200 -0.051 0.000 1.043 470 S CB 0.176 63.351 63.200 -0.042 0.000 0.990 470 S HN 0.337 8.647 8.310 -0.000 0.000 0.564 471 L N 2.605 123.725 121.223 -0.172 0.000 2.349 471 L HA 0.656 4.995 4.340 -0.001 0.000 0.275 471 L C 0.325 177.008 176.870 -0.312 0.000 1.115 471 L CA 0.016 54.689 54.840 -0.279 0.000 0.820 471 L CB 0.738 42.482 42.059 -0.525 0.000 1.135 471 L HN 0.209 8.439 8.230 -0.000 0.000 0.445 472 A N 4.520 127.068 122.820 -0.454 0.000 3.330 472 A HA 0.514 4.834 4.320 -0.001 0.000 0.256 472 A C -2.512 174.728 177.584 -0.572 0.000 1.185 472 A CA -0.760 50.713 52.037 -0.941 0.000 0.940 472 A CB -0.389 18.343 19.000 -0.446 0.000 1.397 472 A HN 0.478 8.628 8.150 -0.000 0.000 0.678 473 P HA 0.470 4.890 4.420 -0.000 0.000 0.275 473 P C 1.507 178.817 177.300 0.017 0.000 1.228 473 P CA 0.137 63.169 63.100 -0.114 0.000 0.786 473 P CB 0.919 32.609 31.700 -0.017 0.000 0.927 474 L N 1.242 122.483 121.223 0.030 0.000 2.093 474 L HA -0.056 4.283 4.340 -0.001 0.000 0.208 474 L C 1.460 178.377 176.870 0.078 0.000 1.085 474 L CA 2.266 57.143 54.840 0.063 0.000 0.755 474 L CB -2.266 39.810 42.059 0.029 0.000 0.904 474 L HN 0.782 9.012 8.230 -0.000 0.000 0.435 475 N N -0.362 118.376 118.700 0.063 0.000 2.419 475 N HA 0.670 5.410 4.740 -0.001 0.000 0.277 475 N C -0.563 174.999 175.510 0.088 0.000 1.006 475 N CA 0.013 53.097 53.050 0.058 0.000 0.923 475 N CB 1.345 39.852 38.487 0.034 0.000 1.140 475 N HN 0.740 9.120 8.380 -0.000 0.000 0.488 476 M N 2.022 121.670 119.600 0.080 0.000 2.151 476 M HA 0.555 5.035 4.480 -0.001 0.000 0.290 476 M C 0.865 177.186 176.300 0.035 0.000 0.965 476 M CA -0.720 54.630 55.300 0.084 0.000 0.930 476 M CB 1.361 34.022 32.600 0.102 0.000 1.560 476 M HN 0.601 8.891 8.290 -0.000 0.000 0.438 477 K N 3.240 123.664 120.400 0.039 0.000 2.116 477 K HA 0.464 4.783 4.320 -0.001 0.000 0.203 477 K C 1.271 177.882 176.600 0.018 0.000 1.052 477 K CA 1.181 57.484 56.287 0.027 0.000 0.952 477 K CB -1.230 31.293 32.500 0.037 0.000 0.729 477 K HN 1.991 10.241 8.250 -0.000 0.000 0.446 478 G N -0.414 108.395 108.800 0.015 0.000 2.140 478 G HA2 -0.062 3.897 3.960 -0.001 0.000 0.211 478 G HA3 -0.062 3.897 3.960 -0.001 0.000 0.211 478 G C -0.047 174.859 174.900 0.010 0.000 1.013 478 G CA 0.052 45.153 45.100 0.003 0.000 0.705 478 G HN 0.821 9.111 8.290 -0.000 0.000 0.508 479 L N 1.371 122.598 121.223 0.007 0.000 2.325 479 L HA 0.664 5.003 4.340 -0.001 0.000 0.284 479 L C 0.265 177.115 176.870 -0.033 0.000 1.089 479 L CA -0.548 54.275 54.840 -0.029 0.000 0.836 479 L CB 1.320 43.364 42.059 -0.024 0.000 1.184 479 L HN 0.079 8.309 8.230 -0.000 0.000 0.444 480 V N 5.748 125.636 119.914 -0.043 0.000 2.435 480 V HA 0.499 4.619 4.120 -0.001 0.000 0.290 480 V C -0.121 175.955 176.094 -0.029 0.000 1.030 480 V CA -0.758 61.547 62.300 0.009 0.000 0.881 480 V CB 1.543 33.420 31.823 0.090 0.000 0.983 480 V HN 0.674 8.864 8.190 -0.000 0.000 0.445 481 K N 4.257 124.644 120.400 -0.022 0.000 2.507 481 K HA 0.529 4.848 4.320 -0.001 0.000 0.252 481 K C -1.497 175.063 176.600 -0.067 0.000 0.943 481 K CA -0.499 55.743 56.287 -0.076 0.000 0.808 481 K CB 1.876 34.327 32.500 -0.081 0.000 1.142 481 K HN 0.400 8.650 8.250 -0.000 0.000 0.426 482 F N 2.305 121.905 119.950 -0.583 0.000 2.421 482 F HA 0.208 4.735 4.527 -0.001 0.000 0.358 482 F C 0.838 176.436 175.800 -0.337 0.000 1.115 482 F CA -0.064 57.599 58.000 -0.562 0.000 1.160 482 F CB 1.268 39.648 39.000 -1.033 0.000 1.123 482 F HN 0.514 8.814 8.300 -0.000 0.000 0.508 483 Q N 2.349 122.076 119.800 -0.122 0.000 2.413 483 Q HA 0.405 4.744 4.340 -0.001 0.000 0.258 483 Q C 0.066 176.039 176.000 -0.045 0.000 1.037 483 Q CA -0.612 55.151 55.803 -0.066 0.000 0.764 483 Q CB 0.536 29.235 28.738 -0.065 0.000 1.217 483 Q HN 0.709 8.979 8.270 -0.000 0.000 0.490 484 D N 0.562 120.963 120.400 0.001 0.000 2.708 484 D HA -0.139 4.500 4.640 -0.001 0.000 0.236 484 D C -0.532 175.780 176.300 0.020 0.000 1.146 484 D CA 1.024 55.038 54.000 0.023 0.000 0.662 484 D CB -1.359 39.449 40.800 0.013 0.000 1.059 484 D HN 0.588 8.958 8.370 -0.000 0.000 0.428 485 V N 0.875 120.809 119.914 0.033 0.000 2.555 485 V HA 0.415 4.534 4.120 -0.001 0.000 0.286 485 V C 0.980 177.129 176.094 0.091 0.000 1.044 485 V CA 0.465 62.775 62.300 0.018 0.000 1.026 485 V CB 1.463 33.265 31.823 -0.035 0.000 0.981 485 V HN 0.467 8.657 8.190 -0.000 0.000 0.480 486 S N 4.873 120.620 115.700 0.078 0.000 2.566 486 S HA 0.886 5.356 4.470 -0.001 0.000 0.298 486 S C -1.112 173.592 174.600 0.175 0.000 1.083 486 S CA -0.683 57.583 58.200 0.109 0.000 0.978 486 S CB 2.248 65.485 63.200 0.062 0.000 1.073 486 S HN 0.650 8.960 8.310 -0.000 0.000 0.491 487 F N 0.453 120.387 119.950 -0.027 0.000 2.654 487 F HA 0.676 5.202 4.527 -0.001 0.000 0.314 487 F C -1.160 174.583 175.800 -0.096 0.000 1.116 487 F CA -0.305 57.643 58.000 -0.086 0.000 1.017 487 F CB 1.243 40.164 39.000 -0.132 0.000 1.285 487 F HN 1.104 9.404 8.300 -0.000 0.000 0.448 488 A N 4.136 126.401 122.820 -0.926 0.000 2.413 488 A HA 0.705 5.024 4.320 -0.001 0.000 0.307 488 A C -2.002 174.737 177.584 -1.408 0.000 1.087 488 A CA -0.587 50.969 52.037 -0.801 0.000 0.750 488 A CB 0.760 19.559 19.000 -0.334 0.000 1.296 488 A HN 0.699 8.849 8.150 -0.000 0.000 0.423 489 Y N 2.002 121.863 120.300 -0.731 0.000 2.511 489 Y HA 0.190 4.739 4.550 -0.001 0.000 0.332 489 Y C -1.010 174.732 175.900 -0.264 0.000 1.177 489 Y CA -0.845 56.974 58.100 -0.469 0.000 1.422 489 Y CB 0.525 38.907 38.460 -0.131 0.000 1.271 489 Y HN 0.566 8.846 8.280 -0.000 0.000 0.550 490 P HA -0.189 4.231 4.420 -0.000 0.000 0.218 490 P C 0.383 177.696 177.300 0.021 0.000 1.148 490 P CA 1.587 64.696 63.100 0.014 0.000 0.822 490 P CB 0.430 32.200 31.700 0.118 0.000 0.784 491 N N -1.415 117.321 118.700 0.060 0.000 2.336 491 N HA -0.019 4.721 4.740 -0.001 0.000 0.189 491 N C 0.236 175.578 175.510 -0.279 0.000 1.113 491 N CA 0.419 53.433 53.050 -0.061 0.000 0.858 491 N CB -0.201 38.271 38.487 -0.024 0.000 0.970 491 N HN 0.363 8.743 8.380 -0.000 0.000 0.471 492 H N -0.232 118.848 119.070 0.017 0.000 2.511 492 H HA 0.185 4.741 4.556 -0.001 0.000 0.228 492 H C -1.668 173.642 175.328 -0.030 0.000 1.424 492 H CA -1.020 55.028 56.048 -0.000 0.000 1.321 492 H CB 1.555 31.321 29.762 0.007 0.000 1.720 492 H HN 0.098 8.378 8.280 -0.000 0.000 0.512 493 P HA -0.037 4.383 4.420 -0.000 0.000 0.229 493 P C 0.406 177.683 177.300 -0.038 0.000 1.160 493 P CA 0.767 63.837 63.100 -0.050 0.000 0.777 493 P CB 0.354 32.022 31.700 -0.053 0.000 0.814 494 N N -0.848 117.851 118.700 -0.001 0.000 2.280 494 N HA 0.092 4.832 4.740 -0.001 0.000 0.192 494 N C -0.412 175.107 175.510 0.015 0.000 1.109 494 N CA -0.133 52.918 53.050 0.002 0.000 0.855 494 N CB 0.485 38.977 38.487 0.009 0.000 0.974 494 N HN -0.076 8.304 8.380 -0.000 0.000 0.482 495 V N 1.744 121.674 119.914 0.027 0.000 2.311 495 V HA 0.185 4.304 4.120 -0.001 0.000 0.275 495 V C -0.037 176.066 176.094 0.015 0.000 1.022 495 V CA -0.695 61.623 62.300 0.030 0.000 0.830 495 V CB 1.028 32.878 31.823 0.045 0.000 1.012 495 V HN 0.134 8.324 8.190 -0.000 0.000 0.452 496 Q N 3.070 122.877 119.800 0.012 0.000 2.313 496 Q HA 0.288 4.627 4.340 -0.001 0.000 0.266 496 Q C 0.355 176.384 176.000 0.049 0.000 0.989 496 Q CA 0.300 56.109 55.803 0.011 0.000 0.890 496 Q CB 1.639 30.389 28.738 0.021 0.000 1.200 496 Q HN 0.563 8.833 8.270 -0.000 0.000 0.396 497 V N 3.733 123.689 119.914 0.071 0.000 2.743 497 V HA 0.175 4.295 4.120 -0.001 0.000 0.237 497 V C 0.328 176.512 176.094 0.150 0.000 1.113 497 V CA 0.422 62.806 62.300 0.139 0.000 1.141 497 V CB 0.046 32.009 31.823 0.233 0.000 0.873 497 V HN 0.607 8.797 8.190 -0.000 0.000 0.486 498 L N 2.076 123.407 121.223 0.179 0.000 2.331 498 L HA 0.645 4.984 4.340 -0.001 0.000 0.275 498 L C -0.809 176.147 176.870 0.144 0.000 1.022 498 L CA -0.276 54.672 54.840 0.180 0.000 0.812 498 L CB 1.564 43.765 42.059 0.237 0.000 1.257 498 L HN 0.383 8.613 8.230 -0.000 0.000 0.435 499 Q N 1.267 121.146 119.800 0.133 0.000 2.313 499 Q HA 0.372 4.712 4.340 -0.001 0.000 0.260 499 Q C 0.067 176.130 176.000 0.105 0.000 0.972 499 Q CA -0.472 55.393 55.803 0.103 0.000 0.886 499 Q CB 1.788 30.573 28.738 0.079 0.000 1.373 499 Q HN 0.828 9.098 8.270 -0.000 0.000 0.416 500 G N 2.447 111.302 108.800 0.092 0.000 2.305 500 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.287 500 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.287 500 G C -0.316 174.655 174.900 0.119 0.000 1.036 500 G CA 0.345 45.498 45.100 0.089 0.000 0.887 500 G HN 0.612 8.902 8.290 -0.000 0.000 0.505 501 L N 1.136 122.452 121.223 0.154 0.000 2.278 501 L HA 0.515 4.855 4.340 -0.001 0.000 0.287 501 L C -0.131 176.858 176.870 0.198 0.000 1.072 501 L CA 0.074 55.049 54.840 0.225 0.000 0.819 501 L CB 0.907 43.160 42.059 0.323 0.000 1.176 501 L HN 0.157 8.387 8.230 -0.000 0.000 0.435 502 T N 5.789 120.458 114.554 0.193 0.000 2.881 502 T HA 0.625 4.974 4.350 -0.001 0.000 0.291 502 T C -0.850 173.973 174.700 0.205 0.000 0.990 502 T CA -0.307 61.858 62.100 0.108 0.000 0.976 502 T CB 0.976 69.899 68.868 0.092 0.000 0.970 502 T HN 0.478 8.718 8.240 -0.000 0.000 0.438 503 F N -0.730 119.280 119.950 0.099 0.000 2.773 503 F HA 0.805 5.332 4.527 -0.001 0.000 0.314 503 F C -1.074 174.736 175.800 0.016 0.000 1.160 503 F CA -1.082 56.946 58.000 0.047 0.000 0.920 503 F CB 1.099 40.099 39.000 0.000 0.000 1.323 503 F HN 0.290 8.590 8.300 -0.000 0.000 0.457 504 T N 2.625 117.316 114.554 0.229 0.000 2.848 504 T HA 0.631 4.980 4.350 -0.001 0.000 0.285 504 T C -0.935 173.765 174.700 0.000 0.000 0.995 504 T CA -0.603 61.473 62.100 -0.040 0.000 0.970 504 T CB 1.565 70.234 68.868 -0.333 0.000 0.976 504 T HN 0.625 8.865 8.240 -0.000 0.000 0.441 505 L N 3.654 124.857 121.223 -0.034 0.000 2.276 505 L HA 0.491 4.830 4.340 -0.001 0.000 0.286 505 L C -0.896 175.904 176.870 -0.118 0.000 1.024 505 L CA -0.996 53.852 54.840 0.014 0.000 0.826 505 L CB 0.396 42.519 42.059 0.106 0.000 1.211 505 L HN 0.634 8.864 8.230 -0.000 0.000 0.422 506 Y N 3.397 123.724 120.300 0.046 0.000 2.304 506 Y HA 0.311 4.860 4.550 -0.001 0.000 0.328 506 Y C -1.900 174.011 175.900 0.017 0.000 1.123 506 Y CA -2.346 55.766 58.100 0.019 0.000 1.218 506 Y CB 0.633 39.085 38.460 -0.012 0.000 1.207 506 Y HN 0.409 8.689 8.280 -0.000 0.000 0.495 507 P HA 0.073 4.493 4.420 -0.000 0.000 0.266 507 P C 0.655 177.999 177.300 0.073 0.000 1.195 507 P CA 1.125 64.282 63.100 0.094 0.000 0.768 507 P CB 0.618 32.359 31.700 0.067 0.000 0.838 508 G N 1.014 109.843 108.800 0.049 0.000 2.162 508 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.260 508 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.260 508 G C -0.026 174.821 174.900 -0.088 0.000 0.976 508 G CA -0.001 45.099 45.100 -0.000 0.000 0.655 508 G HN 0.554 8.844 8.290 -0.000 0.000 0.533 509 K N -0.163 120.230 120.400 -0.013 0.000 2.259 509 K HA 0.620 4.939 4.320 -0.001 0.000 0.252 509 K C -0.204 176.497 176.600 0.167 0.000 0.936 509 K CA -0.895 55.393 56.287 0.002 0.000 0.810 509 K CB 2.834 35.389 32.500 0.092 0.000 1.143 509 K HN 0.005 8.255 8.250 -0.000 0.000 0.427 510 V N 2.549 122.685 119.914 0.370 0.000 2.406 510 V HA 0.177 4.297 4.120 -0.001 0.000 0.272 510 V C -0.199 176.037 176.094 0.236 0.000 1.043 510 V CA -0.363 62.045 62.300 0.181 0.000 0.915 510 V CB 1.190 32.993 31.823 -0.033 0.000 0.988 510 V HN 0.743 8.933 8.190 -0.000 0.000 0.466 511 T N 4.952 119.586 114.554 0.135 0.000 2.758 511 T HA 0.630 4.979 4.350 -0.001 0.000 0.285 511 T C 0.247 174.956 174.700 0.015 0.000 0.981 511 T CA -0.219 61.952 62.100 0.117 0.000 0.965 511 T CB 1.401 70.338 68.868 0.116 0.000 0.927 511 T HN 0.869 9.109 8.240 -0.000 0.000 0.448 512 A N 3.199 126.018 122.820 -0.002 0.000 2.354 512 A HA 0.703 5.022 4.320 -0.001 0.000 0.269 512 A C -0.459 177.047 177.584 -0.130 0.000 1.109 512 A CA -0.549 51.457 52.037 -0.052 0.000 0.800 512 A CB 0.271 19.261 19.000 -0.017 0.000 1.045 512 A HN 0.693 8.843 8.150 -0.000 0.000 0.489 513 L N 4.021 125.144 121.223 -0.166 0.000 2.342 513 L HA 0.624 4.963 4.340 -0.001 0.000 0.276 513 L C -0.326 176.400 176.870 -0.239 0.000 0.997 513 L CA -0.364 54.333 54.840 -0.239 0.000 0.838 513 L CB 1.393 43.279 42.059 -0.288 0.000 1.224 513 L HN 0.753 8.983 8.230 -0.000 0.000 0.416 514 V N 1.980 121.738 119.914 -0.260 0.000 3.046 514 V HA 1.146 5.265 4.120 -0.001 0.000 0.316 514 V C 0.003 175.742 176.094 -0.591 0.000 1.104 514 V CA 0.009 62.115 62.300 -0.323 0.000 1.006 514 V CB 1.325 33.075 31.823 -0.122 0.000 1.058 514 V HN 1.123 9.313 8.190 -0.000 0.000 0.440 515 G N 1.215 109.637 108.800 -0.631 0.000 2.339 515 G HA2 0.473 4.433 3.960 -0.001 0.000 0.302 515 G HA3 0.473 4.433 3.960 -0.001 0.000 0.302 515 G C -3.624 171.126 174.900 -0.251 0.000 1.425 515 G CA -0.475 44.158 45.100 -0.778 0.000 0.899 515 G HN 0.760 9.050 8.290 -0.000 0.000 0.619 516 P HA 0.195 4.615 4.420 -0.000 0.000 0.271 516 P C 0.142 177.498 177.300 0.094 0.000 1.233 516 P CA -0.374 62.766 63.100 0.066 0.000 0.789 516 P CB 0.349 32.102 31.700 0.088 0.000 0.951 517 N N 0.351 119.109 118.700 0.096 0.000 2.412 517 N HA 0.239 4.979 4.740 -0.001 0.000 0.258 517 N C 1.257 176.799 175.510 0.054 0.000 1.236 517 N CA 1.282 54.377 53.050 0.076 0.000 0.882 517 N CB -0.321 38.173 38.487 0.012 0.000 1.066 517 N HN 0.767 9.147 8.380 -0.000 0.000 0.465 518 G N 0.586 109.419 108.800 0.055 0.000 2.162 518 G HA2 -0.366 3.593 3.960 -0.001 0.000 0.260 518 G HA3 -0.366 3.593 3.960 -0.001 0.000 0.260 518 G C 1.024 175.956 174.900 0.053 0.000 0.976 518 G CA 0.663 45.792 45.100 0.048 0.000 0.655 518 G HN 0.691 8.981 8.290 -0.000 0.000 0.533 519 S N -0.805 114.919 115.700 0.040 0.000 2.447 519 S HA 0.367 4.837 4.470 -0.001 0.000 0.233 519 S C 2.071 176.697 174.600 0.043 0.000 1.006 519 S CA 1.513 59.732 58.200 0.031 0.000 0.957 519 S CB 0.107 63.297 63.200 -0.017 0.000 0.773 519 S HN 2.371 10.681 8.310 -0.000 0.000 0.507 520 G N 0.816 109.645 108.800 0.048 0.000 2.147 520 G HA2 -0.149 3.810 3.960 -0.001 0.000 0.128 520 G HA3 -0.149 3.810 3.960 -0.001 0.000 0.128 520 G C 0.541 175.465 174.900 0.040 0.000 1.026 520 G CA 0.091 45.238 45.100 0.079 0.000 0.693 520 G HN 0.456 8.746 8.290 -0.000 0.000 0.499 521 K N 0.479 120.873 120.400 -0.010 0.000 2.025 521 K HA 0.040 4.359 4.320 -0.001 0.000 0.207 521 K C 2.530 179.119 176.600 -0.017 0.000 1.049 521 K CA 1.548 57.798 56.287 -0.061 0.000 0.933 521 K CB -0.199 32.225 32.500 -0.127 0.000 0.714 521 K HN 0.235 8.485 8.250 -0.000 0.000 0.438 522 S N 0.659 116.373 115.700 0.023 0.000 2.399 522 S HA -0.100 4.370 4.470 -0.001 0.000 0.231 522 S C 1.933 176.594 174.600 0.102 0.000 1.022 522 S CA 1.467 59.703 58.200 0.060 0.000 0.983 522 S CB -0.270 62.976 63.200 0.076 0.000 0.803 522 S HN 0.334 8.644 8.310 -0.000 0.000 0.480 523 T N 1.890 116.516 114.554 0.121 0.000 2.821 523 T HA -0.031 4.319 4.350 -0.001 0.000 0.267 523 T C 1.928 176.645 174.700 0.028 0.000 1.046 523 T CA 0.975 63.134 62.100 0.098 0.000 1.139 523 T CB -0.345 68.605 68.868 0.136 0.000 0.871 523 T HN 0.188 8.428 8.240 -0.000 0.000 0.454 524 V N 1.758 121.712 119.914 0.067 0.000 2.343 524 V HA -0.185 3.935 4.120 -0.001 0.000 0.247 524 V C 2.888 179.056 176.094 0.123 0.000 1.051 524 V CA 1.721 64.089 62.300 0.114 0.000 1.036 524 V CB -1.178 30.632 31.823 -0.021 0.000 0.654 524 V HN 0.530 8.720 8.190 -0.000 0.000 0.451 525 A N -0.094 122.765 122.820 0.064 0.000 1.908 525 A HA -0.147 4.173 4.320 -0.001 0.000 0.218 525 A C 2.419 180.061 177.584 0.097 0.000 1.181 525 A CA 2.177 54.256 52.037 0.070 0.000 0.627 525 A CB -0.751 18.275 19.000 0.044 0.000 0.818 525 A HN 0.581 8.731 8.150 -0.000 0.000 0.445 526 A N -0.741 122.144 122.820 0.109 0.000 1.898 526 A HA 0.016 4.336 4.320 -0.001 0.000 0.216 526 A C 2.011 179.650 177.584 0.092 0.000 1.181 526 A CA 1.637 53.755 52.037 0.136 0.000 0.620 526 A CB -0.539 18.614 19.000 0.255 0.000 0.819 526 A HN 0.398 8.548 8.150 -0.000 0.000 0.442 527 L N -0.961 120.285 121.223 0.039 0.000 2.131 527 L HA -0.108 4.231 4.340 -0.001 0.000 0.210 527 L C 2.237 179.157 176.870 0.083 0.000 1.092 527 L CA 1.112 55.951 54.840 -0.002 0.000 0.759 527 L CB -0.696 41.327 42.059 -0.061 0.000 0.903 527 L HN 0.274 8.504 8.230 -0.000 0.000 0.435 528 L N -1.136 120.201 121.223 0.189 0.000 2.191 528 L HA -0.184 4.156 4.340 -0.001 0.000 0.212 528 L C 2.201 179.126 176.870 0.092 0.000 1.103 528 L CA 1.497 56.449 54.840 0.186 0.000 0.769 528 L CB -0.568 41.609 42.059 0.198 0.000 0.908 528 L HN 0.375 8.605 8.230 -0.000 0.000 0.438 529 Q N -1.354 118.489 119.800 0.071 0.000 2.360 529 Q HA 0.039 4.379 4.340 -0.001 0.000 0.202 529 Q C 0.311 176.330 176.000 0.033 0.000 0.915 529 Q CA 0.127 55.960 55.803 0.050 0.000 0.943 529 Q CB 0.112 28.885 28.738 0.058 0.000 1.064 529 Q HN 0.382 8.652 8.270 -0.000 0.000 0.511 530 N N 0.040 118.753 118.700 0.022 0.000 2.747 530 N HA -0.199 4.540 4.740 -0.001 0.000 0.249 530 N C -0.025 175.458 175.510 -0.044 0.000 1.107 530 N CA 0.345 53.396 53.050 0.001 0.000 0.707 530 N CB -1.216 37.287 38.487 0.026 0.000 1.054 530 N HN 0.344 8.724 8.380 -0.000 0.000 0.555 531 L N -1.681 119.498 121.223 -0.074 0.000 2.217 531 L HA 0.031 4.370 4.340 -0.001 0.000 0.211 531 L C 0.242 176.808 176.870 -0.507 0.000 1.107 531 L CA 0.966 55.658 54.840 -0.246 0.000 0.783 531 L CB -0.150 41.783 42.059 -0.210 0.000 0.919 531 L HN 0.219 8.449 8.230 -0.000 0.000 0.442 532 Y N -1.950 118.323 120.300 -0.046 0.000 2.581 532 Y HA 0.473 5.022 4.550 -0.001 0.000 0.345 532 Y C -0.383 175.471 175.900 -0.077 0.000 1.036 532 Y CA -1.240 56.840 58.100 -0.034 0.000 1.042 532 Y CB 1.332 39.717 38.460 -0.125 0.000 1.289 532 Y HN -0.202 8.078 8.280 -0.000 0.000 0.471 533 Q N 2.914 122.830 119.800 0.193 0.000 2.226 533 Q HA 0.466 4.805 4.340 -0.001 0.000 0.256 533 Q C -2.653 173.437 176.000 0.150 0.000 0.962 533 Q CA -2.290 53.569 55.803 0.093 0.000 0.887 533 Q CB 0.934 29.719 28.738 0.079 0.000 1.282 533 Q HN 0.233 8.503 8.270 -0.000 0.000 0.449 534 P HA -0.024 4.396 4.420 -0.000 0.000 0.271 534 P C 0.118 177.493 177.300 0.124 0.000 1.216 534 P CA 0.008 63.165 63.100 0.095 0.000 0.776 534 P CB 0.895 32.551 31.700 -0.073 0.000 0.881 535 T N -0.413 114.233 114.554 0.153 0.000 3.088 535 T HA 0.250 4.600 4.350 -0.001 0.000 0.259 535 T C 0.903 175.617 174.700 0.024 0.000 1.122 535 T CA 0.408 62.539 62.100 0.052 0.000 1.095 535 T CB -0.312 68.542 68.868 -0.023 0.000 0.930 535 T HN 0.605 8.845 8.240 -0.000 0.000 0.508 536 G N -1.352 107.464 108.800 0.027 0.000 2.718 536 G HA2 0.598 4.558 3.960 -0.001 0.000 0.295 536 G HA3 0.598 4.558 3.960 -0.001 0.000 0.295 536 G C -0.003 174.890 174.900 -0.011 0.000 1.421 536 G CA -0.088 45.016 45.100 0.007 0.000 0.902 536 G HN 0.874 9.164 8.290 -0.000 0.000 0.501 537 G N 0.019 108.804 108.800 -0.024 0.000 2.642 537 G HA2 0.011 3.970 3.960 -0.001 0.000 0.231 537 G HA3 0.011 3.970 3.960 -0.001 0.000 0.231 537 G C -0.466 174.382 174.900 -0.087 0.000 1.338 537 G CA 0.189 45.259 45.100 -0.049 0.000 0.883 537 G HN 0.953 9.243 8.290 -0.000 0.000 0.570 538 K N -1.293 119.026 120.400 -0.135 0.000 2.469 538 K HA 0.629 4.948 4.320 -0.001 0.000 0.254 538 K C -1.055 175.364 176.600 -0.302 0.000 0.939 538 K CA -0.910 55.277 56.287 -0.167 0.000 0.812 538 K CB 3.053 35.489 32.500 -0.107 0.000 1.301 538 K HN 0.483 8.733 8.250 -0.000 0.000 0.433 539 V N 3.939 123.657 119.914 -0.327 0.000 2.313 539 V HA 0.334 4.454 4.120 -0.001 0.000 0.278 539 V C -0.537 175.459 176.094 -0.163 0.000 1.017 539 V CA -0.746 61.301 62.300 -0.422 0.000 0.823 539 V CB 0.591 32.085 31.823 -0.548 0.000 1.010 539 V HN 0.547 8.737 8.190 -0.000 0.000 0.443 540 L N 5.430 126.593 121.223 -0.099 0.000 2.322 540 L HA 0.629 4.969 4.340 -0.001 0.000 0.279 540 L C -0.680 176.212 176.870 0.038 0.000 1.036 540 L CA -0.772 54.063 54.840 -0.007 0.000 0.807 540 L CB 1.866 43.915 42.059 -0.016 0.000 1.226 540 L HN 0.431 8.661 8.230 -0.000 0.000 0.433 541 L N 2.957 124.246 121.223 0.111 0.000 2.342 541 L HA 0.436 4.775 4.340 -0.001 0.000 0.276 541 L C -0.635 176.331 176.870 0.160 0.000 0.997 541 L CA 0.118 55.012 54.840 0.090 0.000 0.838 541 L CB 0.871 42.923 42.059 -0.012 0.000 1.224 541 L HN 0.541 8.771 8.230 -0.000 0.000 0.416 542 D N 4.444 124.899 120.400 0.092 0.000 2.708 542 D HA -0.166 4.474 4.640 -0.001 0.000 0.236 542 D C 1.171 177.525 176.300 0.090 0.000 1.146 542 D CA 1.794 55.851 54.000 0.096 0.000 0.662 542 D CB -1.152 39.726 40.800 0.131 0.000 1.059 542 D HN 1.251 9.621 8.370 -0.000 0.000 0.428 543 G N -1.356 107.481 108.800 0.061 0.000 2.179 543 G HA2 -0.322 3.638 3.960 -0.001 0.000 0.260 543 G HA3 -0.322 3.638 3.960 -0.001 0.000 0.260 543 G C -0.017 174.900 174.900 0.029 0.000 0.977 543 G CA 0.446 45.565 45.100 0.032 0.000 0.641 543 G HN 0.408 8.698 8.290 -0.000 0.000 0.533 544 E N 0.738 120.982 120.200 0.073 0.000 2.199 544 E HA 0.440 4.789 4.350 -0.001 0.000 0.269 544 E C -2.657 173.994 176.600 0.084 0.000 0.899 544 E CA -2.086 54.329 56.400 0.024 0.000 0.772 544 E CB 2.040 31.681 29.700 -0.098 0.000 1.155 544 E HN 0.064 8.424 8.360 -0.000 0.000 0.408 545 P HA 0.055 4.475 4.420 -0.000 0.000 0.265 545 P C 1.076 178.444 177.300 0.113 0.000 1.193 545 P CA 0.092 63.208 63.100 0.026 0.000 0.765 545 P CB 0.625 32.313 31.700 -0.020 0.000 0.823 546 L N 2.834 124.140 121.223 0.138 0.000 2.129 546 L HA -0.191 4.148 4.340 -0.001 0.000 0.212 546 L C 2.110 179.113 176.870 0.222 0.000 1.087 546 L CA 1.336 56.320 54.840 0.239 0.000 0.757 546 L CB -0.720 41.401 42.059 0.102 0.000 0.896 546 L HN 0.233 8.463 8.230 -0.000 0.000 0.434 547 V N -0.621 119.352 119.914 0.098 0.000 2.688 547 V HA -0.252 3.868 4.120 -0.001 0.000 0.256 547 V C 2.461 178.579 176.094 0.041 0.000 1.084 547 V CA 1.329 63.667 62.300 0.063 0.000 1.103 547 V CB -0.517 31.320 31.823 0.023 0.000 0.688 547 V HN 0.505 8.695 8.190 -0.000 0.000 0.480 548 Q N -1.216 118.575 119.800 -0.015 0.000 2.297 548 Q HA -0.032 4.307 4.340 -0.001 0.000 0.204 548 Q C 0.275 176.148 176.000 -0.212 0.000 0.962 548 Q CA 0.635 56.346 55.803 -0.153 0.000 0.879 548 Q CB -0.109 28.461 28.738 -0.281 0.000 0.947 548 Q HN 0.634 8.904 8.270 -0.000 0.000 0.462 549 Y N 1.141 121.458 120.300 0.028 0.000 2.309 549 Y HA 0.070 4.620 4.550 -0.001 0.000 0.327 549 Y C 0.475 176.416 175.900 0.070 0.000 1.172 549 Y CA -1.143 56.989 58.100 0.053 0.000 1.280 549 Y CB 0.434 38.990 38.460 0.161 0.000 1.234 549 Y HN -0.027 8.253 8.280 -0.000 0.000 0.512 550 D N 2.363 122.879 120.400 0.194 0.000 2.525 550 D HA -0.117 4.522 4.640 -0.001 0.000 0.235 550 D C 1.392 177.780 176.300 0.146 0.000 1.137 550 D CA 0.294 54.368 54.000 0.124 0.000 0.868 550 D CB 0.577 41.423 40.800 0.076 0.000 1.180 550 D HN 0.709 9.079 8.370 -0.000 0.000 0.465 551 H N 3.727 122.834 119.070 0.062 0.000 2.387 551 H HA -0.146 4.410 4.556 -0.001 0.000 0.299 551 H C 0.954 176.256 175.328 -0.042 0.000 1.090 551 H CA 1.285 57.314 56.048 -0.031 0.000 1.332 551 H CB -0.251 29.413 29.762 -0.162 0.000 1.386 551 H HN 0.613 8.893 8.280 -0.000 0.000 0.516 552 H N 0.048 118.918 119.070 -0.334 0.000 2.357 552 H HA -0.132 4.424 4.556 -0.001 0.000 0.301 552 H C 2.232 177.582 175.328 0.037 0.000 1.082 552 H CA 1.411 57.389 56.048 -0.117 0.000 1.342 552 H CB -0.668 28.974 29.762 -0.202 0.000 1.389 552 H HN 0.408 8.688 8.280 -0.000 0.000 0.511 553 Y N 1.488 121.829 120.300 0.068 0.000 2.097 553 Y HA -0.238 4.312 4.550 -0.001 0.000 0.282 553 Y C 2.581 178.504 175.900 0.038 0.000 1.152 553 Y CA 1.189 59.324 58.100 0.059 0.000 1.136 553 Y CB -0.576 37.930 38.460 0.077 0.000 0.975 553 Y HN 0.046 8.326 8.280 -0.000 0.000 0.498 554 L N 0.124 121.404 121.223 0.095 0.000 2.042 554 L HA -0.247 4.093 4.340 -0.001 0.000 0.210 554 L C 2.378 179.194 176.870 -0.089 0.000 1.076 554 L CA 2.490 57.301 54.840 -0.049 0.000 0.749 554 L CB -1.158 40.953 42.059 0.087 0.000 0.893 554 L HN 0.468 8.698 8.230 -0.000 0.000 0.432 555 H N -1.117 117.903 119.070 -0.082 0.000 2.421 555 H HA -0.131 4.424 4.556 -0.001 0.000 0.298 555 H C 2.207 177.465 175.328 -0.116 0.000 1.087 555 H CA 1.923 57.930 56.048 -0.068 0.000 1.330 555 H CB -0.072 29.683 29.762 -0.013 0.000 1.388 555 H HN 0.574 8.854 8.280 -0.000 0.000 0.526 556 T N -2.570 111.876 114.554 -0.180 0.000 2.951 556 T HA -0.087 4.262 4.350 -0.001 0.000 0.268 556 T C 1.667 176.172 174.700 -0.326 0.000 1.073 556 T CA 0.900 62.847 62.100 -0.255 0.000 1.134 556 T CB 0.085 68.818 68.868 -0.224 0.000 0.884 556 T HN 0.271 8.511 8.240 -0.000 0.000 0.479 557 Q N 0.352 119.910 119.800 -0.404 0.000 2.373 557 Q HA 0.330 4.669 4.340 -0.001 0.000 0.210 557 Q C 0.344 176.211 176.000 -0.221 0.000 0.913 557 Q CA 0.363 55.953 55.803 -0.355 0.000 0.911 557 Q CB 0.604 29.046 28.738 -0.492 0.000 1.040 557 Q HN 0.444 8.714 8.270 -0.000 0.000 0.521 558 V N 1.173 120.968 119.914 -0.200 0.000 2.444 558 V HA 0.717 4.836 4.120 -0.001 0.000 0.294 558 V C -0.661 175.359 176.094 -0.123 0.000 1.022 558 V CA -0.868 61.363 62.300 -0.116 0.000 0.850 558 V CB 1.402 33.179 31.823 -0.077 0.000 0.992 558 V HN 0.117 8.307 8.190 -0.000 0.000 0.426 559 A N 4.011 126.789 122.820 -0.070 0.000 2.355 559 A HA 0.993 5.312 4.320 -0.001 0.000 0.317 559 A C -0.266 177.320 177.584 0.004 0.000 1.094 559 A CA -0.360 51.642 52.037 -0.057 0.000 0.764 559 A CB 1.730 20.703 19.000 -0.046 0.000 1.230 559 A HN 1.328 9.478 8.150 -0.000 0.000 0.448 560 A N 1.378 124.212 122.820 0.022 0.000 2.365 560 A HA 0.731 5.050 4.320 -0.001 0.000 0.318 560 A C -0.977 176.634 177.584 0.045 0.000 1.091 560 A CA -0.491 51.567 52.037 0.035 0.000 0.763 560 A CB 1.398 20.426 19.000 0.047 0.000 1.248 560 A HN 1.267 9.417 8.150 -0.000 0.000 0.442 561 V N 2.128 122.061 119.914 0.032 0.000 2.487 561 V HA 0.722 4.842 4.120 -0.001 0.000 0.298 561 V C 0.754 176.867 176.094 0.032 0.000 1.028 561 V CA 0.384 62.706 62.300 0.037 0.000 0.860 561 V CB 1.062 32.900 31.823 0.025 0.000 0.991 561 V HN 1.239 9.429 8.190 -0.000 0.000 0.427 562 G N 3.148 111.974 108.800 0.043 0.000 3.054 562 G HA2 0.719 4.679 3.960 -0.001 0.000 0.201 562 G HA3 0.719 4.679 3.960 -0.001 0.000 0.201 562 G C -0.256 174.668 174.900 0.040 0.000 1.694 562 G CA 0.766 45.889 45.100 0.039 0.000 0.742 562 G HN 0.983 9.273 8.290 -0.000 0.000 0.790 567 L N 4.263 125.382 121.223 -0.173 0.000 2.278 567 L HA 0.408 4.748 4.340 -0.001 0.000 0.287 567 L C -0.232 176.508 176.870 -0.217 0.000 1.072 567 L CA -0.457 54.214 54.840 -0.282 0.000 0.819 567 L CB 0.218 42.017 42.059 -0.433 0.000 1.176 567 L HN 0.507 8.737 8.230 -0.000 0.000 0.435 568 F N 0.802 120.674 119.950 -0.129 0.000 2.380 568 F HA 0.686 5.212 4.527 -0.001 0.000 0.325 568 F C 1.184 176.927 175.800 -0.094 0.000 1.136 568 F CA -0.326 57.605 58.000 -0.114 0.000 1.171 568 F CB 0.605 39.553 39.000 -0.086 0.000 1.230 568 F HN 0.647 8.947 8.300 -0.000 0.000 0.554 569 G N 0.950 109.853 108.800 0.171 0.000 2.217 569 G HA2 -0.209 3.751 3.960 -0.001 0.000 0.246 569 G HA3 -0.209 3.751 3.960 -0.001 0.000 0.246 569 G C 0.123 175.018 174.900 -0.008 0.000 0.990 569 G CA 0.108 45.256 45.100 0.079 0.000 0.627 569 G HN 1.032 9.322 8.290 -0.000 0.000 0.522 570 R N 0.397 120.865 120.500 -0.053 0.000 2.912 570 R HA 0.783 5.122 4.340 -0.001 0.000 0.262 570 R C 0.472 176.735 176.300 -0.062 0.000 1.057 570 R CA 0.091 56.163 56.100 -0.045 0.000 0.981 570 R CB 0.729 30.997 30.300 -0.053 0.000 1.201 570 R HN 0.745 9.015 8.270 -0.000 0.000 0.484 571 S N -0.352 115.346 115.700 -0.004 0.000 2.608 571 S HA 0.153 4.622 4.470 -0.001 0.000 0.261 571 S C 0.964 175.573 174.600 0.015 0.000 1.314 571 S CA -0.566 57.659 58.200 0.042 0.000 0.992 571 S CB 0.127 63.410 63.200 0.139 0.000 0.935 571 S HN 0.474 8.784 8.310 -0.000 0.000 0.564 572 F N 0.545 120.576 119.950 0.136 0.000 2.134 572 F HA 0.015 4.541 4.527 -0.001 0.000 0.299 572 F C 2.855 178.786 175.800 0.218 0.000 1.097 572 F CA 1.753 59.853 58.000 0.166 0.000 1.264 572 F CB -0.379 38.700 39.000 0.132 0.000 1.001 572 F HN 0.616 8.916 8.300 -0.000 0.000 0.479 573 R N 0.755 121.512 120.500 0.429 0.000 2.083 573 R HA -0.197 4.142 4.340 -0.001 0.000 0.237 573 R C 2.028 178.442 176.300 0.191 0.000 1.137 573 R CA 2.065 58.346 56.100 0.303 0.000 0.951 573 R CB -0.333 30.106 30.300 0.231 0.000 0.851 573 R HN 0.322 8.592 8.270 -0.000 0.000 0.434 574 E N -0.162 120.130 120.200 0.153 0.000 2.110 574 E HA -0.148 4.202 4.350 -0.001 0.000 0.193 574 E C 1.862 178.542 176.600 0.133 0.000 0.988 574 E CA 0.893 57.365 56.400 0.120 0.000 0.804 574 E CB -0.072 29.677 29.700 0.082 0.000 0.745 574 E HN 0.407 8.767 8.360 -0.000 0.000 0.458 575 N N 0.650 119.411 118.700 0.100 0.000 2.188 575 N HA -0.109 4.630 4.740 -0.001 0.000 0.184 575 N C 1.908 177.517 175.510 0.164 0.000 1.018 575 N CA 0.922 54.020 53.050 0.079 0.000 0.858 575 N CB 0.018 38.504 38.487 -0.002 0.000 0.989 575 N HN 0.184 8.564 8.380 -0.000 0.000 0.426 576 I N 0.972 121.660 120.570 0.196 0.000 2.252 576 I HA -0.159 4.010 4.170 -0.001 0.000 0.245 576 I C 2.180 178.393 176.117 0.160 0.000 1.102 576 I CA 0.715 62.128 61.300 0.189 0.000 1.385 576 I CB -0.150 37.973 38.000 0.204 0.000 1.064 576 I HN 0.029 8.239 8.210 -0.000 0.000 0.414 577 A N -0.342 122.568 122.820 0.150 0.000 2.169 577 A HA -0.119 4.201 4.320 -0.001 0.000 0.212 577 A C 0.955 178.619 177.584 0.134 0.000 1.153 577 A CA -0.030 52.075 52.037 0.113 0.000 0.756 577 A CB -0.617 18.435 19.000 0.086 0.000 0.813 577 A HN 0.422 8.572 8.150 -0.000 0.000 0.471 578 Y N 0.728 121.062 120.300 0.057 0.000 2.721 578 Y HA 0.298 4.847 4.550 -0.001 0.000 0.329 578 Y C 1.377 177.329 175.900 0.087 0.000 1.211 578 Y CA 0.993 59.126 58.100 0.056 0.000 1.512 578 Y CB 0.137 38.622 38.460 0.042 0.000 1.249 578 Y HN 0.434 8.714 8.280 -0.000 0.000 0.549 579 G N 4.281 112.821 108.800 -0.434 0.000 2.284 579 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.216 579 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.216 579 G C -0.126 174.760 174.900 -0.024 0.000 1.009 579 G CA -0.098 44.888 45.100 -0.191 0.000 0.625 579 G HN 0.710 9.000 8.290 -0.000 0.000 0.501 580 L N 2.070 123.272 121.223 -0.036 0.000 2.426 580 L HA 0.420 4.759 4.340 -0.001 0.000 0.271 580 L C 1.881 178.739 176.870 -0.021 0.000 1.169 580 L CA 0.709 55.539 54.840 -0.018 0.000 0.836 580 L CB 1.104 43.158 42.059 -0.008 0.000 1.112 580 L HN 0.358 8.588 8.230 -0.000 0.000 0.465 581 T N -0.200 114.344 114.554 -0.016 0.000 3.273 581 T HA 0.248 4.598 4.350 -0.001 0.000 0.254 581 T C 0.174 174.858 174.700 -0.026 0.000 1.002 581 T CA -0.576 61.509 62.100 -0.024 0.000 0.913 581 T CB -0.374 68.482 68.868 -0.021 0.000 1.056 581 T HN 0.739 8.979 8.240 -0.000 0.000 0.576 582 R N -1.654 118.833 120.500 -0.021 0.000 2.728 582 R HA 0.485 4.824 4.340 -0.001 0.000 0.274 582 R C -1.802 174.492 176.300 -0.011 0.000 1.030 582 R CA -0.922 55.167 56.100 -0.018 0.000 0.876 582 R CB 0.307 30.595 30.300 -0.020 0.000 1.259 582 R HN -0.056 8.214 8.270 -0.000 0.000 0.468 583 T N 3.455 118.003 114.554 -0.009 0.000 2.910 583 T HA 0.323 4.672 4.350 -0.001 0.000 0.323 583 T C -2.014 172.681 174.700 -0.008 0.000 1.091 583 T CA -1.063 61.035 62.100 -0.003 0.000 0.960 583 T CB 0.731 69.599 68.868 -0.000 0.000 1.024 583 T HN 0.399 8.639 8.240 -0.000 0.000 0.509 584 P HA 0.185 4.605 4.420 -0.000 0.000 0.272 584 P C 0.348 177.632 177.300 -0.026 0.000 1.230 584 P CA -0.405 62.684 63.100 -0.018 0.000 0.788 584 P CB 0.442 32.132 31.700 -0.017 0.000 0.949 585 T N -1.543 112.990 114.554 -0.035 0.000 2.828 585 T HA 0.140 4.489 4.350 -0.001 0.000 0.290 585 T C 1.556 176.214 174.700 -0.069 0.000 1.019 585 T CA -0.721 61.353 62.100 -0.043 0.000 1.031 585 T CB 0.253 69.097 68.868 -0.041 0.000 1.001 585 T HN 0.144 8.384 8.240 -0.000 0.000 0.531 586 M N 0.970 120.523 119.600 -0.078 0.000 2.213 586 M HA -0.040 4.440 4.480 -0.001 0.000 0.263 586 M C 2.900 179.109 176.300 -0.152 0.000 1.062 586 M CA 2.154 57.375 55.300 -0.133 0.000 1.105 586 M CB -1.948 30.590 32.600 -0.103 0.000 1.385 586 M HN 1.035 9.325 8.290 -0.000 0.000 0.417 587 E N 0.548 120.688 120.200 -0.101 0.000 2.085 587 E HA -0.215 4.134 4.350 -0.001 0.000 0.194 587 E C 1.799 178.338 176.600 -0.101 0.000 0.994 587 E CA 1.821 58.164 56.400 -0.096 0.000 0.801 587 E CB -0.883 28.778 29.700 -0.065 0.000 0.743 587 E HN 0.734 9.094 8.360 -0.000 0.000 0.453 588 E N -0.441 119.708 120.200 -0.085 0.000 2.107 588 E HA -0.045 4.304 4.350 -0.001 0.000 0.191 588 E C 2.219 178.771 176.600 -0.080 0.000 0.982 588 E CA 0.835 57.193 56.400 -0.068 0.000 0.809 588 E CB -0.019 29.651 29.700 -0.049 0.000 0.756 588 E HN 0.454 8.814 8.360 -0.000 0.000 0.459 589 I N 1.427 121.924 120.570 -0.123 0.000 2.202 589 I HA -0.221 3.949 4.170 -0.001 0.000 0.242 589 I C 2.799 178.793 176.117 -0.205 0.000 1.091 589 I CA 1.840 63.044 61.300 -0.160 0.000 1.368 589 I CB -1.556 36.288 38.000 -0.261 0.000 1.058 589 I HN 0.266 8.476 8.210 -0.000 0.000 0.410 590 T N -0.411 113.966 114.554 -0.294 0.000 2.867 590 T HA -0.029 4.321 4.350 -0.001 0.000 0.268 590 T C 2.071 176.664 174.700 -0.178 0.000 1.057 590 T CA 1.081 63.035 62.100 -0.245 0.000 1.136 590 T CB -0.471 68.223 68.868 -0.290 0.000 0.874 590 T HN 0.264 8.504 8.240 -0.000 0.000 0.466 591 A N 1.305 124.045 122.820 -0.135 0.000 1.865 591 A HA 0.022 4.341 4.320 -0.001 0.000 0.217 591 A C 2.639 180.204 177.584 -0.031 0.000 1.191 591 A CA 1.902 53.887 52.037 -0.086 0.000 0.623 591 A CB -1.156 17.808 19.000 -0.060 0.000 0.826 591 A HN 0.434 8.584 8.150 -0.000 0.000 0.444 592 V N -0.335 119.578 119.914 -0.001 0.000 2.548 592 V HA -0.146 3.974 4.120 -0.001 0.000 0.249 592 V C 2.978 179.115 176.094 0.071 0.000 1.055 592 V CA 1.632 63.961 62.300 0.048 0.000 1.065 592 V CB -1.106 30.755 31.823 0.063 0.000 0.681 592 V HN 0.617 8.807 8.190 -0.000 0.000 0.462 593 A N -0.451 122.420 122.820 0.085 0.000 1.930 593 A HA -0.208 4.112 4.320 -0.001 0.000 0.217 593 A C 2.237 179.891 177.584 0.118 0.000 1.175 593 A CA 1.998 54.122 52.037 0.144 0.000 0.627 593 A CB -0.444 18.729 19.000 0.289 0.000 0.815 593 A HN 0.481 8.631 8.150 -0.000 0.000 0.443 594 M N -0.936 118.696 119.600 0.053 0.000 2.117 594 M HA -0.173 4.306 4.480 -0.001 0.000 0.262 594 M C 2.046 178.371 176.300 0.041 0.000 1.065 594 M CA 1.706 57.021 55.300 0.025 0.000 1.114 594 M CB -0.374 32.172 32.600 -0.090 0.000 1.361 594 M HN 0.479 8.769 8.290 -0.000 0.000 0.408 595 E N -0.116 120.108 120.200 0.040 0.000 2.110 595 E HA -0.173 4.176 4.350 -0.001 0.000 0.193 595 E C 1.968 178.599 176.600 0.052 0.000 0.988 595 E CA 1.717 58.147 56.400 0.050 0.000 0.804 595 E CB -0.061 29.680 29.700 0.068 0.000 0.745 595 E HN 0.519 8.879 8.360 -0.000 0.000 0.458 596 S N -1.311 114.430 115.700 0.067 0.000 2.548 596 S HA 0.174 4.644 4.470 -0.001 0.000 0.215 596 S C 1.487 176.139 174.600 0.086 0.000 0.976 596 S CA 0.381 58.623 58.200 0.071 0.000 0.908 596 S CB 0.798 64.052 63.200 0.090 0.000 0.781 596 S HN 0.352 8.662 8.310 -0.000 0.000 0.519 597 G N 0.388 109.243 108.800 0.091 0.000 2.132 597 G HA2 -0.133 3.826 3.960 -0.001 0.000 0.234 597 G HA3 -0.133 3.826 3.960 -0.001 0.000 0.234 597 G C 0.671 175.661 174.900 0.150 0.000 0.989 597 G CA -0.050 45.113 45.100 0.105 0.000 0.676 597 G HN 1.234 9.524 8.290 -0.000 0.000 0.522 598 A N -0.890 122.000 122.820 0.116 0.000 2.252 598 A HA 0.479 4.799 4.320 -0.001 0.000 0.213 598 A C 1.447 178.782 177.584 -0.415 0.000 1.188 598 A CA 1.586 53.616 52.037 -0.011 0.000 0.863 598 A CB -0.182 18.852 19.000 0.057 0.000 0.893 598 A HN 0.873 9.023 8.150 -0.000 0.000 0.495 599 H N 0.813 119.751 119.070 -0.219 0.000 2.357 599 H HA -0.097 4.458 4.556 -0.001 0.000 0.301 599 H C 1.316 176.446 175.328 -0.331 0.000 1.082 599 H CA 2.021 57.939 56.048 -0.217 0.000 1.342 599 H CB 0.071 29.823 29.762 -0.017 0.000 1.389 599 H HN 0.344 8.624 8.280 -0.000 0.000 0.511 600 D N -0.022 120.204 120.400 -0.291 0.000 2.097 600 D HA -0.173 4.466 4.640 -0.001 0.000 0.195 600 D C 2.145 178.206 176.300 -0.398 0.000 0.989 600 D CA 1.576 55.398 54.000 -0.297 0.000 0.827 600 D CB -0.641 40.110 40.800 -0.082 0.000 0.966 600 D HN 0.594 8.964 8.370 -0.000 0.000 0.456 601 F N 0.506 120.203 119.950 -0.421 0.000 2.206 601 F HA 0.052 4.579 4.527 -0.001 0.000 0.298 601 F C 2.117 177.240 175.800 -1.127 0.000 1.090 601 F CA 0.629 58.277 58.000 -0.588 0.000 1.323 601 F CB -0.861 37.896 39.000 -0.405 0.000 1.028 601 F HN -0.137 8.163 8.300 -0.000 0.000 0.492 602 I N 0.626 120.129 120.570 -1.779 0.000 2.315 602 I HA -0.238 3.931 4.170 -0.001 0.000 0.248 602 I C 2.281 177.671 176.117 -1.212 0.000 1.117 602 I CA 1.415 61.630 61.300 -1.808 0.000 1.404 602 I CB -0.668 36.263 38.000 -1.781 0.000 1.071 602 I HN 0.194 8.404 8.210 -0.000 0.000 0.419 603 S N 0.707 115.828 115.700 -0.965 0.000 2.474 603 S HA -0.071 4.398 4.470 -0.001 0.000 0.235 603 S C 1.974 176.332 174.600 -0.402 0.000 0.997 603 S CA 1.091 58.932 58.200 -0.598 0.000 0.949 603 S CB -0.367 62.446 63.200 -0.646 0.000 0.766 603 S HN 0.648 8.958 8.310 -0.000 0.000 0.517 604 G N 0.510 109.021 108.800 -0.481 0.000 2.712 604 G HA2 0.121 4.080 3.960 -0.001 0.000 0.212 604 G HA3 0.121 4.080 3.960 -0.001 0.000 0.212 604 G C 0.133 174.972 174.900 -0.101 0.000 1.142 604 G CA -0.168 44.772 45.100 -0.266 0.000 0.789 604 G HN 0.286 8.576 8.290 -0.000 0.000 0.535 605 F N 1.075 120.937 119.950 -0.146 0.000 2.429 605 F HA 0.285 4.812 4.527 -0.001 0.000 0.348 605 F C -0.606 175.156 175.800 -0.064 0.000 1.109 605 F CA -3.165 54.778 58.000 -0.096 0.000 1.232 605 F CB 0.998 39.923 39.000 -0.126 0.000 1.157 605 F HN -0.097 8.203 8.300 -0.000 0.000 0.564 606 P HA -0.171 4.249 4.420 -0.000 0.000 0.217 606 P C 0.568 177.920 177.300 0.087 0.000 1.150 606 P CA 1.560 64.716 63.100 0.092 0.000 0.832 606 P CB 0.198 31.938 31.700 0.066 0.000 0.787 607 Q N -0.816 119.047 119.800 0.106 0.000 2.360 607 Q HA 0.257 4.597 4.340 -0.001 0.000 0.202 607 Q C 1.300 177.379 176.000 0.132 0.000 0.915 607 Q CA 0.291 56.157 55.803 0.105 0.000 0.943 607 Q CB -0.004 28.791 28.738 0.094 0.000 1.064 607 Q HN 0.213 8.483 8.270 -0.000 0.000 0.511 608 G N 1.171 110.050 108.800 0.131 0.000 2.611 608 G HA2 -0.407 3.552 3.960 -0.001 0.000 0.301 608 G HA3 -0.407 3.552 3.960 -0.001 0.000 0.301 608 G C 0.311 175.239 174.900 0.046 0.000 1.233 608 G CA 0.598 45.725 45.100 0.045 0.000 0.993 608 G HN 0.404 8.694 8.290 -0.000 0.000 0.553 609 Y N 1.067 121.415 120.300 0.080 0.000 2.497 609 Y HA 0.089 4.638 4.550 -0.001 0.000 0.292 609 Y C 2.578 178.608 175.900 0.216 0.000 1.137 609 Y CA 1.646 59.830 58.100 0.140 0.000 1.285 609 Y CB -0.026 38.492 38.460 0.095 0.000 0.991 609 Y HN 0.473 8.753 8.280 -0.000 0.000 0.556 610 D N -0.803 119.768 120.400 0.286 0.000 2.349 610 D HA -0.024 4.616 4.640 -0.001 0.000 0.224 610 D C 0.055 176.477 176.300 0.203 0.000 1.029 610 D CA 0.260 54.388 54.000 0.213 0.000 0.879 610 D CB -0.032 40.858 40.800 0.149 0.000 0.906 610 D HN -0.003 8.367 8.370 -0.000 0.000 0.528 611 T N 1.037 115.753 114.554 0.270 0.000 2.902 611 T HA -0.049 4.300 4.350 -0.001 0.000 0.301 611 T C 0.230 175.061 174.700 0.218 0.000 1.012 611 T CA 0.003 62.246 62.100 0.237 0.000 1.151 611 T CB 0.933 69.947 68.868 0.244 0.000 0.946 611 T HN 0.125 8.365 8.240 -0.000 0.000 0.542 612 E N 2.507 122.750 120.200 0.073 0.000 2.338 612 E HA 0.226 4.576 4.350 -0.001 0.000 0.272 612 E C -0.657 175.886 176.600 -0.095 0.000 1.029 612 E CA -0.616 55.780 56.400 -0.007 0.000 0.872 612 E CB 0.631 30.333 29.700 0.003 0.000 1.015 612 E HN 0.313 8.673 8.360 -0.000 0.000 0.417 613 V N 4.347 124.133 119.914 -0.214 0.000 2.455 613 V HA 0.337 4.456 4.120 -0.001 0.000 0.273 613 V C 0.837 176.902 176.094 -0.048 0.000 1.045 613 V CA 0.034 62.189 62.300 -0.242 0.000 0.976 613 V CB 0.995 32.597 31.823 -0.370 0.000 0.993 613 V HN 0.761 8.951 8.190 -0.000 0.000 0.475 614 G N 2.928 111.708 108.800 -0.034 0.000 2.491 614 G HA2 0.435 4.394 3.960 -0.001 0.000 0.327 614 G HA3 0.435 4.394 3.960 -0.001 0.000 0.327 614 G C 0.412 175.277 174.900 -0.059 0.000 1.189 614 G CA -0.380 44.707 45.100 -0.023 0.000 0.956 614 G HN 0.718 9.008 8.290 -0.000 0.000 0.491 615 E N -1.105 118.959 120.200 -0.227 0.000 2.150 615 E HA -0.011 4.338 4.350 -0.001 0.000 0.193 615 E C 1.159 177.645 176.600 -0.189 0.000 0.985 615 E CA 1.399 57.572 56.400 -0.379 0.000 0.814 615 E CB 0.086 29.410 29.700 -0.626 0.000 0.752 615 E HN 0.573 8.933 8.360 -0.000 0.000 0.466 616 T N -5.392 109.080 114.554 -0.136 0.000 2.812 616 T HA 0.525 4.874 4.350 -0.001 0.000 0.294 616 T C 0.707 175.370 174.700 -0.062 0.000 1.159 616 T CA -0.374 61.675 62.100 -0.085 0.000 1.008 616 T CB 1.819 70.637 68.868 -0.082 0.000 1.289 616 T HN 0.113 8.353 8.240 -0.000 0.000 0.514 617 G N 1.095 109.869 108.800 -0.044 0.000 2.148 617 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.254 617 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.254 617 G C -0.057 174.824 174.900 -0.031 0.000 0.981 617 G CA -0.106 44.972 45.100 -0.037 0.000 0.670 617 G HN 0.959 9.249 8.290 -0.000 0.000 0.528 618 N N 0.449 119.139 118.700 -0.017 0.000 2.508 618 N HA 0.202 4.941 4.740 -0.001 0.000 0.264 618 N C 0.636 176.162 175.510 0.026 0.000 1.216 618 N CA 0.087 53.142 53.050 0.009 0.000 0.943 618 N CB 0.384 38.904 38.487 0.055 0.000 1.113 618 N HN 0.456 8.836 8.380 -0.000 0.000 0.447 619 Q N 1.578 121.396 119.800 0.030 0.000 3.184 619 Q HA 0.250 4.590 4.340 -0.001 0.000 0.288 619 Q C -0.652 175.441 176.000 0.154 0.000 1.412 619 Q CA 0.286 56.150 55.803 0.101 0.000 0.991 619 Q CB -0.119 28.722 28.738 0.173 0.000 1.688 619 Q HN 0.270 8.540 8.270 -0.000 0.000 0.554 620 L N 1.064 122.319 121.223 0.053 0.000 2.441 620 L HA 0.306 4.645 4.340 -0.001 0.000 0.270 620 L C 0.127 176.954 176.870 -0.071 0.000 0.973 620 L CA -0.606 54.215 54.840 -0.032 0.000 0.842 620 L CB 1.974 44.095 42.059 0.103 0.000 1.239 620 L HN 0.355 8.585 8.230 -0.000 0.000 0.406 621 S N 1.404 117.014 115.700 -0.150 0.000 2.661 621 S HA 0.364 4.833 4.470 -0.001 0.000 0.265 621 S C 1.274 175.829 174.600 -0.074 0.000 1.225 621 S CA 0.036 58.175 58.200 -0.100 0.000 0.986 621 S CB 1.439 64.570 63.200 -0.115 0.000 1.008 621 S HN 0.704 9.014 8.310 -0.000 0.000 0.565 622 G N 0.348 109.122 108.800 -0.044 0.000 2.446 622 G HA2 -0.003 3.957 3.960 -0.001 0.000 0.217 622 G HA3 -0.003 3.957 3.960 -0.001 0.000 0.217 622 G C 1.381 176.271 174.900 -0.017 0.000 1.168 622 G CA 0.648 45.736 45.100 -0.020 0.000 0.771 622 G HN 1.002 9.292 8.290 -0.000 0.000 0.551 623 G N 0.056 108.837 108.800 -0.032 0.000 2.422 623 G HA2 -0.150 3.810 3.960 -0.001 0.000 0.218 623 G HA3 -0.150 3.810 3.960 -0.001 0.000 0.218 623 G C 1.818 176.706 174.900 -0.019 0.000 1.146 623 G CA 1.073 46.162 45.100 -0.018 0.000 0.769 623 G HN 0.518 8.808 8.290 -0.000 0.000 0.547 624 Q N -0.462 119.268 119.800 -0.117 0.000 2.084 624 Q HA -0.043 4.296 4.340 -0.001 0.000 0.202 624 Q C 2.611 178.630 176.000 0.032 0.000 0.978 624 Q CA 1.108 56.773 55.803 -0.230 0.000 0.844 624 Q CB -0.165 28.047 28.738 -0.876 0.000 0.898 624 Q HN 0.447 8.717 8.270 -0.000 0.000 0.426 625 R N 0.829 121.350 120.500 0.035 0.000 2.081 625 R HA -0.177 4.163 4.340 -0.001 0.000 0.235 625 R C 2.122 178.500 176.300 0.131 0.000 1.131 625 R CA 1.503 57.679 56.100 0.126 0.000 0.960 625 R CB 0.037 30.384 30.300 0.077 0.000 0.856 625 R HN 0.316 8.586 8.270 -0.000 0.000 0.436 626 Q N -0.554 119.298 119.800 0.087 0.000 2.170 626 Q HA -0.122 4.217 4.340 -0.001 0.000 0.203 626 Q C 2.055 178.119 176.000 0.107 0.000 0.976 626 Q CA 1.436 57.288 55.803 0.081 0.000 0.858 626 Q CB -0.023 28.745 28.738 0.050 0.000 0.907 626 Q HN 0.453 8.723 8.270 -0.000 0.000 0.433 627 A N 0.115 123.019 122.820 0.140 0.000 1.902 627 A HA -0.139 4.181 4.320 -0.001 0.000 0.217 627 A C 2.263 179.969 177.584 0.204 0.000 1.181 627 A CA 1.300 53.440 52.037 0.171 0.000 0.623 627 A CB -0.586 18.552 19.000 0.231 0.000 0.818 627 A HN 0.217 8.367 8.150 -0.000 0.000 0.443 628 V N -0.162 119.915 119.914 0.271 0.000 2.295 628 V HA -0.231 3.889 4.120 -0.001 0.000 0.246 628 V C 3.048 179.262 176.094 0.199 0.000 1.049 628 V CA 1.910 64.379 62.300 0.281 0.000 1.024 628 V CB -1.266 30.796 31.823 0.398 0.000 0.648 628 V HN 0.604 8.794 8.190 -0.000 0.000 0.447 629 A N -0.252 122.664 122.820 0.161 0.000 1.933 629 A HA -0.189 4.131 4.320 -0.001 0.000 0.218 629 A C 2.162 179.809 177.584 0.105 0.000 1.175 629 A CA 2.020 54.130 52.037 0.122 0.000 0.628 629 A CB -0.541 18.517 19.000 0.096 0.000 0.814 629 A HN 0.450 8.600 8.150 -0.000 0.000 0.444 630 L N -0.221 121.058 121.223 0.094 0.000 2.017 630 L HA -0.049 4.291 4.340 -0.001 0.000 0.208 630 L C 2.699 179.621 176.870 0.086 0.000 1.073 630 L CA 2.180 57.059 54.840 0.066 0.000 0.745 630 L CB -0.798 41.288 42.059 0.044 0.000 0.894 630 L HN 0.334 8.564 8.230 -0.000 0.000 0.432 631 A N -0.423 122.465 122.820 0.113 0.000 1.940 631 A HA -0.277 4.043 4.320 -0.001 0.000 0.219 631 A C 2.539 180.197 177.584 0.123 0.000 1.176 631 A CA 1.898 54.008 52.037 0.122 0.000 0.631 631 A CB -0.723 18.364 19.000 0.145 0.000 0.814 631 A HN 0.528 8.678 8.150 -0.000 0.000 0.446 632 R N -0.409 120.170 120.500 0.132 0.000 2.091 632 R HA -0.135 4.204 4.340 -0.001 0.000 0.238 632 R C 2.281 178.643 176.300 0.104 0.000 1.136 632 R CA 1.533 57.712 56.100 0.131 0.000 0.959 632 R CB -0.396 29.997 30.300 0.156 0.000 0.856 632 R HN 0.455 8.725 8.270 -0.000 0.000 0.437 633 A N 0.987 123.865 122.820 0.097 0.000 1.898 633 A HA -0.084 4.236 4.320 -0.001 0.000 0.216 633 A C 2.219 179.879 177.584 0.128 0.000 1.181 633 A CA 0.989 53.078 52.037 0.085 0.000 0.620 633 A CB -0.451 18.592 19.000 0.071 0.000 0.819 633 A HN 0.330 8.480 8.150 -0.000 0.000 0.442 634 L N -0.784 120.531 121.223 0.153 0.000 2.083 634 L HA -0.129 4.211 4.340 -0.001 0.000 0.209 634 L C 2.490 179.459 176.870 0.165 0.000 1.083 634 L CA 1.337 56.324 54.840 0.246 0.000 0.752 634 L CB -0.403 41.785 42.059 0.214 0.000 0.899 634 L HN 0.463 8.693 8.230 -0.000 0.000 0.433 635 I N -0.456 120.174 120.570 0.100 0.000 2.493 635 I HA -0.239 3.930 4.170 -0.001 0.000 0.254 635 I C 2.631 178.756 176.117 0.013 0.000 1.160 635 I CA 0.878 62.208 61.300 0.050 0.000 1.445 635 I CB -0.120 37.908 38.000 0.047 0.000 1.086 635 I HN 0.223 8.433 8.210 -0.000 0.000 0.433 636 R N 1.334 121.840 120.500 0.011 0.000 2.189 636 R HA -0.104 4.235 4.340 -0.001 0.000 0.223 636 R C 0.329 176.587 176.300 -0.070 0.000 1.092 636 R CA 0.421 56.496 56.100 -0.041 0.000 0.989 636 R CB -0.307 29.951 30.300 -0.070 0.000 0.876 636 R HN 0.338 8.608 8.270 -0.000 0.000 0.457 637 K N 0.381 120.747 120.400 -0.056 0.000 3.451 637 K HA -0.133 4.186 4.320 -0.001 0.000 0.273 637 K C -2.426 174.058 176.600 -0.192 0.000 0.944 637 K CA 0.132 56.318 56.287 -0.169 0.000 0.734 637 K CB -0.925 31.465 32.500 -0.184 0.000 1.437 637 K HN 0.296 8.546 8.250 -0.000 0.000 0.454 638 P HA 0.048 4.468 4.420 -0.000 0.000 0.274 638 P C 0.299 177.522 177.300 -0.129 0.000 1.237 638 P CA -0.373 62.660 63.100 -0.111 0.000 0.793 638 P CB 0.887 32.567 31.700 -0.033 0.000 0.977 639 R N 0.227 120.654 120.500 -0.123 0.000 2.090 639 R HA 0.060 4.400 4.340 -0.001 0.000 0.228 639 R C 0.490 176.783 176.300 -0.012 0.000 1.110 639 R CA 0.762 56.808 56.100 -0.091 0.000 0.973 639 R CB -0.799 29.445 30.300 -0.095 0.000 0.869 639 R HN 0.409 8.679 8.270 -0.000 0.000 0.440 640 L N 1.257 122.479 121.223 -0.002 0.000 2.325 640 L HA 0.416 4.756 4.340 -0.001 0.000 0.281 640 L C -1.353 175.567 176.870 0.083 0.000 1.004 640 L CA -0.864 54.004 54.840 0.048 0.000 0.823 640 L CB 1.522 43.589 42.059 0.013 0.000 1.236 640 L HN -0.158 8.072 8.230 -0.000 0.000 0.415 641 L N 6.544 127.852 121.223 0.142 0.000 2.305 641 L HA 0.639 4.979 4.340 -0.001 0.000 0.284 641 L C -1.043 175.841 176.870 0.024 0.000 1.013 641 L CA -0.031 54.873 54.840 0.106 0.000 0.819 641 L CB 1.234 43.373 42.059 0.133 0.000 1.227 641 L HN 0.568 8.798 8.230 -0.000 0.000 0.417 642 I N 6.340 126.916 120.570 0.010 0.000 2.362 642 I HA 0.338 4.508 4.170 -0.001 0.000 0.289 642 I C -0.791 175.312 176.117 -0.023 0.000 0.994 642 I CA -0.408 60.888 61.300 -0.007 0.000 1.158 642 I CB 1.334 39.342 38.000 0.013 0.000 1.315 642 I HN 0.438 8.648 8.210 -0.000 0.000 0.451 643 L N 5.806 127.001 121.223 -0.047 0.000 2.301 643 L HA 0.350 4.690 4.340 -0.001 0.000 0.278 643 L C -0.419 176.426 176.870 -0.042 0.000 1.022 643 L CA -0.396 54.415 54.840 -0.049 0.000 0.854 643 L CB 0.924 42.935 42.059 -0.080 0.000 1.226 643 L HN 0.509 8.739 8.230 -0.000 0.000 0.429 644 D N 5.013 125.401 120.400 -0.021 0.000 2.500 644 D HA 0.108 4.747 4.640 -0.001 0.000 0.219 644 D C 0.317 176.609 176.300 -0.013 0.000 1.137 644 D CA -0.006 53.982 54.000 -0.021 0.000 0.946 644 D CB 0.404 41.206 40.800 0.003 0.000 1.022 644 D HN 0.479 8.849 8.370 -0.000 0.000 0.518 645 Q N 1.342 121.125 119.800 -0.029 0.000 2.453 645 Q HA -0.264 4.076 4.340 -0.001 0.000 0.294 645 Q C 0.572 176.573 176.000 0.002 0.000 1.295 645 Q CA 0.704 56.501 55.803 -0.010 0.000 0.853 645 Q CB -1.625 27.121 28.738 0.015 0.000 1.193 645 Q HN 0.526 8.796 8.270 -0.000 0.000 0.461 646 A N 0.067 122.882 122.820 -0.007 0.000 2.208 646 A HA 0.023 4.342 4.320 -0.001 0.000 0.209 646 A C 1.793 179.378 177.584 0.003 0.000 1.161 646 A CA 1.305 53.342 52.037 0.001 0.000 0.782 646 A CB 0.151 19.145 19.000 -0.009 0.000 0.816 646 A HN 0.582 8.732 8.150 -0.000 0.000 0.477 647 T N -3.470 111.083 114.554 -0.002 0.000 3.145 647 T HA 0.119 4.469 4.350 -0.001 0.000 0.281 647 T C 1.441 176.146 174.700 0.007 0.000 1.003 647 T CA 0.740 62.841 62.100 0.001 0.000 0.901 647 T CB -0.418 68.444 68.868 -0.010 0.000 1.112 647 T HN 0.431 8.671 8.240 -0.000 0.000 0.535 648 S N 1.612 117.319 115.700 0.012 0.000 2.399 648 S HA 0.049 4.518 4.470 -0.001 0.000 0.231 648 S C 2.169 176.777 174.600 0.013 0.000 1.022 648 S CA 0.713 58.924 58.200 0.017 0.000 0.983 648 S CB -0.662 62.555 63.200 0.028 0.000 0.803 648 S HN 0.708 9.018 8.310 -0.000 0.000 0.480 649 A N 0.749 123.576 122.820 0.012 0.000 2.218 649 A HA 0.483 4.803 4.320 -0.001 0.000 0.209 649 A C 0.869 178.456 177.584 0.004 0.000 1.168 649 A CA -0.238 51.803 52.037 0.007 0.000 0.804 649 A CB -0.328 18.677 19.000 0.008 0.000 0.834 649 A HN 0.529 8.679 8.150 -0.000 0.000 0.482 650 L N 1.642 122.869 121.223 0.008 0.000 2.397 650 L HA 0.209 4.549 4.340 -0.001 0.000 0.271 650 L C 0.215 177.087 176.870 0.004 0.000 1.148 650 L CA -0.806 54.039 54.840 0.009 0.000 0.825 650 L CB 0.603 42.670 42.059 0.013 0.000 1.117 650 L HN 0.447 8.677 8.230 -0.000 0.000 0.456 651 D N 1.719 122.122 120.400 0.003 0.000 2.384 651 D HA 0.148 4.788 4.640 -0.001 0.000 0.244 651 D C 0.949 177.250 176.300 0.003 0.000 1.251 651 D CA -0.011 53.990 54.000 0.001 0.000 0.961 651 D CB 0.752 41.552 40.800 -0.001 0.000 1.116 651 D HN 0.518 8.888 8.370 -0.000 0.000 0.484 652 A N 0.296 123.116 122.820 0.000 0.000 1.892 652 A HA -0.050 4.270 4.320 -0.001 0.000 0.218 652 A C 2.140 179.725 177.584 0.002 0.000 1.188 652 A CA 2.363 54.400 52.037 -0.001 0.000 0.631 652 A CB -1.660 17.338 19.000 -0.003 0.000 0.822 652 A HN 0.697 8.847 8.150 -0.000 0.000 0.447 653 G N -0.405 108.398 108.800 0.005 0.000 2.404 653 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.215 653 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.215 653 G C 1.446 176.354 174.900 0.014 0.000 1.174 653 G CA 1.001 46.107 45.100 0.009 0.000 0.780 653 G HN 0.530 8.820 8.290 -0.000 0.000 0.537 654 N N 0.193 118.903 118.700 0.017 0.000 2.188 654 N HA -0.083 4.656 4.740 -0.001 0.000 0.184 654 N C 2.248 177.767 175.510 0.014 0.000 1.018 654 N CA 1.233 54.296 53.050 0.022 0.000 0.858 654 N CB -0.336 38.169 38.487 0.029 0.000 0.989 654 N HN 0.314 8.694 8.380 -0.000 0.000 0.426 655 Q N 0.985 120.791 119.800 0.010 0.000 2.061 655 Q HA -0.078 4.261 4.340 -0.001 0.000 0.204 655 Q C 2.015 178.020 176.000 0.008 0.000 0.984 655 Q CA 1.095 56.901 55.803 0.006 0.000 0.846 655 Q CB -0.502 28.238 28.738 0.003 0.000 0.902 655 Q HN 0.290 8.560 8.270 -0.000 0.000 0.421 656 L N 0.346 121.574 121.223 0.008 0.000 2.046 656 L HA -0.143 4.197 4.340 -0.001 0.000 0.208 656 L C 2.380 179.261 176.870 0.018 0.000 1.077 656 L CA 2.224 57.070 54.840 0.011 0.000 0.747 656 L CB -0.600 41.463 42.059 0.006 0.000 0.896 656 L HN 0.255 8.485 8.230 -0.000 0.000 0.432 657 R N -1.050 119.460 120.500 0.017 0.000 2.083 657 R HA -0.149 4.190 4.340 -0.001 0.000 0.237 657 R C 1.985 178.291 176.300 0.010 0.000 1.137 657 R CA 2.195 58.307 56.100 0.019 0.000 0.951 657 R CB -0.539 29.774 30.300 0.022 0.000 0.851 657 R HN 0.327 8.597 8.270 -0.000 0.000 0.434 658 V N 1.150 121.061 119.914 -0.004 0.000 2.427 658 V HA -0.207 3.912 4.120 -0.001 0.000 0.248 658 V C 2.432 178.499 176.094 -0.045 0.000 1.051 658 V CA 1.606 63.881 62.300 -0.043 0.000 1.048 658 V CB -0.463 31.328 31.823 -0.053 0.000 0.666 658 V HN 0.412 8.602 8.190 -0.000 0.000 0.456 659 Q N 0.729 120.542 119.800 0.022 0.000 2.020 659 Q HA -0.225 4.114 4.340 -0.001 0.000 0.202 659 Q C 2.459 178.570 176.000 0.184 0.000 0.982 659 Q CA 2.190 58.072 55.803 0.131 0.000 0.838 659 Q CB -0.490 28.326 28.738 0.130 0.000 0.899 659 Q HN 0.800 9.070 8.270 -0.000 0.000 0.423 660 R N 0.428 120.992 120.500 0.107 0.000 2.115 660 R HA -0.091 4.249 4.340 -0.001 0.000 0.230 660 R C 2.273 178.626 176.300 0.088 0.000 1.111 660 R CA 1.049 57.214 56.100 0.109 0.000 0.976 660 R CB -0.692 29.648 30.300 0.066 0.000 0.870 660 R HN 0.126 8.396 8.270 -0.000 0.000 0.445 661 L N 1.511 122.755 121.223 0.034 0.000 1.989 661 L HA -0.101 4.239 4.340 -0.001 0.000 0.211 661 L C 2.175 179.023 176.870 -0.038 0.000 1.071 661 L CA 1.702 56.550 54.840 0.014 0.000 0.749 661 L CB -0.351 41.683 42.059 -0.042 0.000 0.890 661 L HN 0.247 8.477 8.230 -0.000 0.000 0.431 662 L N -2.137 118.966 121.223 -0.201 0.000 2.156 662 L HA -0.181 4.159 4.340 -0.001 0.000 0.208 662 L C 2.068 178.795 176.870 -0.238 0.000 1.095 662 L CA 0.981 55.596 54.840 -0.376 0.000 0.770 662 L CB -0.453 41.248 42.059 -0.596 0.000 0.914 662 L HN 0.302 8.532 8.230 -0.000 0.000 0.439 663 Y N -0.667 119.657 120.300 0.039 0.000 2.503 663 Y HA 0.022 4.571 4.550 -0.001 0.000 0.277 663 Y C 2.197 178.159 175.900 0.105 0.000 1.102 663 Y CA 0.337 58.490 58.100 0.089 0.000 1.261 663 Y CB 0.304 38.776 38.460 0.021 0.000 1.096 663 Y HN 0.133 8.413 8.280 -0.000 0.000 0.546 664 E N -1.059 119.270 120.200 0.215 0.000 2.413 664 E HA 0.078 4.427 4.350 -0.001 0.000 0.203 664 E C 0.510 177.192 176.600 0.135 0.000 0.957 664 E CA 0.049 56.543 56.400 0.156 0.000 0.950 664 E CB 0.436 30.207 29.700 0.119 0.000 0.957 664 E HN -0.038 8.322 8.360 -0.000 0.000 0.497 665 S N 1.987 117.782 115.700 0.158 0.000 2.510 665 S HA 0.072 4.541 4.470 -0.001 0.000 0.279 665 S C -1.763 172.925 174.600 0.147 0.000 1.284 665 S CA -1.541 56.757 58.200 0.163 0.000 1.059 665 S CB 0.755 64.107 63.200 0.253 0.000 0.901 665 S HN -0.150 8.160 8.310 -0.000 0.000 0.491 666 P HA -0.135 4.285 4.420 -0.000 0.000 0.216 666 P C 1.243 178.547 177.300 0.008 0.000 1.150 666 P CA 0.983 64.111 63.100 0.046 0.000 0.843 666 P CB 0.124 31.837 31.700 0.021 0.000 0.787 667 E N -1.324 118.857 120.200 -0.031 0.000 2.097 667 E HA -0.210 4.140 4.350 -0.001 0.000 0.196 667 E C 1.346 177.756 176.600 -0.317 0.000 1.000 667 E CA 1.320 57.603 56.400 -0.194 0.000 0.804 667 E CB -0.531 29.013 29.700 -0.260 0.000 0.740 667 E HN 0.285 8.645 8.360 -0.000 0.000 0.454 668 W N -0.373 120.915 121.300 -0.019 0.000 3.003 668 W HA 0.288 4.947 4.660 -0.001 0.000 0.257 668 W C 2.137 178.641 176.519 -0.026 0.000 1.308 668 W CA 0.340 57.666 57.345 -0.031 0.000 1.529 668 W CB 0.156 29.587 29.460 -0.048 0.000 1.115 668 W HN 0.135 8.315 8.180 -0.000 0.000 0.659 669 A N 0.084 122.993 122.820 0.148 0.000 2.125 669 A HA -0.162 4.158 4.320 -0.001 0.000 0.219 669 A C 1.937 179.544 177.584 0.039 0.000 1.156 669 A CA 1.914 54.005 52.037 0.091 0.000 0.671 669 A CB -0.762 18.280 19.000 0.071 0.000 0.794 669 A HN 0.204 8.354 8.150 -0.000 0.000 0.459 670 S N -1.494 114.209 115.700 0.004 0.000 2.540 670 S HA 0.299 4.769 4.470 -0.001 0.000 0.218 670 S C 0.730 175.321 174.600 -0.016 0.000 0.977 670 S CA -0.601 57.587 58.200 -0.019 0.000 0.918 670 S CB 0.200 63.368 63.200 -0.053 0.000 0.806 670 S HN 0.523 8.833 8.310 -0.000 0.000 0.496 671 R N 0.819 121.328 120.500 0.014 0.000 2.758 671 R HA 0.599 4.938 4.340 -0.001 0.000 0.265 671 R C -0.884 175.496 176.300 0.133 0.000 1.016 671 R CA -0.564 55.561 56.100 0.042 0.000 1.040 671 R CB 1.017 31.298 30.300 -0.031 0.000 1.152 671 R HN 0.080 8.350 8.270 -0.000 0.000 0.503 672 T N 1.187 115.817 114.554 0.127 0.000 2.767 672 T HA 0.379 4.728 4.350 -0.001 0.000 0.284 672 T C -0.498 174.283 174.700 0.134 0.000 0.973 672 T CA -0.590 61.580 62.100 0.116 0.000 0.996 672 T CB 1.297 70.211 68.868 0.077 0.000 0.927 672 T HN 0.129 8.369 8.240 -0.000 0.000 0.456 673 V N 4.390 124.360 119.914 0.093 0.000 2.531 673 V HA 0.472 4.592 4.120 -0.001 0.000 0.301 673 V C -0.725 175.370 176.094 0.002 0.000 1.034 673 V CA -0.911 61.405 62.300 0.026 0.000 0.865 673 V CB 1.743 33.527 31.823 -0.065 0.000 0.995 673 V HN 0.687 8.877 8.190 -0.000 0.000 0.424 674 L N 6.258 127.469 121.223 -0.019 0.000 2.280 674 L HA 0.653 4.992 4.340 -0.001 0.000 0.287 674 L C -0.809 176.020 176.870 -0.070 0.000 1.023 674 L CA -0.333 54.480 54.840 -0.045 0.000 0.819 674 L CB 1.324 43.356 42.059 -0.044 0.000 1.212 674 L HN 0.651 8.881 8.230 -0.000 0.000 0.420 675 L N 7.026 128.204 121.223 -0.075 0.000 2.283 675 L HA 0.559 4.898 4.340 -0.001 0.000 0.281 675 L C -0.833 175.980 176.870 -0.094 0.000 1.033 675 L CA 0.018 54.812 54.840 -0.077 0.000 0.848 675 L CB 0.570 42.596 42.059 -0.055 0.000 1.226 675 L HN 0.512 8.742 8.230 -0.000 0.000 0.429 676 I N 4.617 125.125 120.570 -0.103 0.000 2.325 676 I HA 0.446 4.616 4.170 -0.001 0.000 0.291 676 I C 0.318 176.352 176.117 -0.138 0.000 1.019 676 I CA -0.033 61.184 61.300 -0.138 0.000 1.302 676 I CB 1.250 39.174 38.000 -0.127 0.000 1.401 676 I HN 0.634 8.844 8.210 -0.000 0.000 0.485 677 T N 3.790 118.232 114.554 -0.187 0.000 2.885 677 T HA 0.303 4.652 4.350 -0.001 0.000 0.322 677 T C 0.080 174.631 174.700 -0.248 0.000 1.387 677 T CA -0.505 61.500 62.100 -0.159 0.000 1.041 677 T CB 1.077 69.908 68.868 -0.061 0.000 1.287 677 T HN 0.576 8.816 8.240 -0.000 0.000 0.491 678 H N 1.705 120.759 119.070 -0.027 0.000 2.586 678 H HA 0.273 4.829 4.556 -0.001 0.000 0.273 678 H C 0.259 175.579 175.328 -0.014 0.000 0.997 678 H CA 0.163 56.196 56.048 -0.025 0.000 1.177 678 H CB 0.698 30.445 29.762 -0.026 0.000 1.471 678 H HN 0.462 8.742 8.280 -0.000 0.000 0.538 679 Q N 1.239 121.085 119.800 0.077 0.000 2.361 679 Q HA 0.200 4.539 4.340 -0.001 0.000 0.250 679 Q C 1.678 177.697 176.000 0.033 0.000 1.023 679 Q CA -0.208 55.623 55.803 0.046 0.000 0.915 679 Q CB 1.546 30.301 28.738 0.027 0.000 1.238 679 Q HN 0.280 8.550 8.270 -0.000 0.000 0.451 680 L N 2.084 123.323 121.223 0.028 0.000 2.081 680 L HA -0.245 4.095 4.340 -0.001 0.000 0.212 680 L C 2.396 179.270 176.870 0.006 0.000 1.080 680 L CA 2.704 57.559 54.840 0.025 0.000 0.754 680 L CB -1.823 40.232 42.059 -0.007 0.000 0.893 680 L HN 0.797 9.027 8.230 -0.000 0.000 0.433 681 S N -0.755 114.935 115.700 -0.017 0.000 2.399 681 S HA -0.121 4.349 4.470 -0.001 0.000 0.231 681 S C 2.056 176.628 174.600 -0.046 0.000 1.022 681 S CA 1.504 59.675 58.200 -0.047 0.000 0.983 681 S CB -0.641 62.535 63.200 -0.040 0.000 0.803 681 S HN 0.721 9.031 8.310 -0.000 0.000 0.480 682 L N 1.100 122.316 121.223 -0.012 0.000 2.095 682 L HA 0.129 4.469 4.340 -0.001 0.000 0.204 682 L C 3.160 180.041 176.870 0.019 0.000 1.080 682 L CA 0.905 55.749 54.840 0.006 0.000 0.759 682 L CB -1.021 41.048 42.059 0.017 0.000 0.914 682 L HN 0.404 8.634 8.230 -0.000 0.000 0.439 683 A N 0.516 123.359 122.820 0.039 0.000 1.883 683 A HA -0.294 4.025 4.320 -0.001 0.000 0.217 683 A C 2.257 179.878 177.584 0.061 0.000 1.186 683 A CA 2.111 54.197 52.037 0.082 0.000 0.624 683 A CB -0.660 18.455 19.000 0.193 0.000 0.822 683 A HN 0.497 8.647 8.150 -0.000 0.000 0.444 684 E N -0.303 119.901 120.200 0.006 0.000 2.130 684 E HA -0.246 4.103 4.350 -0.001 0.000 0.196 684 E C 2.080 178.573 176.600 -0.177 0.000 0.998 684 E CA 1.380 57.680 56.400 -0.166 0.000 0.806 684 E CB -0.106 29.334 29.700 -0.433 0.000 0.738 684 E HN 0.622 8.982 8.360 -0.000 0.000 0.459 685 R N 0.207 120.589 120.500 -0.198 0.000 2.276 685 R HA 0.129 4.468 4.340 -0.001 0.000 0.203 685 R C 0.691 176.752 176.300 -0.399 0.000 1.017 685 R CA 0.249 56.128 56.100 -0.368 0.000 1.010 685 R CB 0.050 30.048 30.300 -0.503 0.000 0.900 685 R HN 0.064 8.335 8.270 -0.000 0.000 0.469 686 A N 0.221 122.976 122.820 -0.108 0.000 2.425 686 A HA 0.033 4.353 4.320 -0.001 0.000 0.242 686 A C 0.076 177.650 177.584 -0.017 0.000 1.077 686 A CA -0.165 51.899 52.037 0.045 0.000 0.781 686 A CB 0.253 19.309 19.000 0.094 0.000 1.020 686 A HN 0.326 8.476 8.150 -0.000 0.000 0.494 687 H N -0.664 118.531 119.070 0.209 0.000 2.395 687 H HA 0.037 4.593 4.556 -0.001 0.000 0.299 687 H C 0.412 175.852 175.328 0.185 0.000 1.070 687 H CA 2.212 58.361 56.048 0.168 0.000 1.356 687 H CB 0.061 29.930 29.762 0.178 0.000 1.401 687 H HN 0.810 9.090 8.280 -0.000 0.000 0.524 688 H N -1.008 118.163 119.070 0.168 0.000 2.894 688 H HA 0.464 5.020 4.556 -0.001 0.000 0.367 688 H C -1.454 173.889 175.328 0.025 0.000 1.144 688 H CA -0.883 55.217 56.048 0.085 0.000 1.180 688 H CB 1.047 30.877 29.762 0.114 0.000 1.758 688 H HN -0.034 8.246 8.280 -0.000 0.000 0.541 689 I N 5.123 125.394 120.570 -0.499 0.000 2.465 689 I HA 0.278 4.447 4.170 -0.001 0.000 0.291 689 I C -0.795 175.052 176.117 -0.451 0.000 1.014 689 I CA -0.779 60.301 61.300 -0.367 0.000 1.093 689 I CB 1.928 39.721 38.000 -0.345 0.000 1.267 689 I HN 0.317 8.527 8.210 -0.000 0.000 0.431 690 L N 5.943 127.007 121.223 -0.264 0.000 2.294 690 L HA 0.412 4.751 4.340 -0.001 0.000 0.283 690 L C -0.784 176.026 176.870 -0.100 0.000 1.015 690 L CA -0.449 54.276 54.840 -0.191 0.000 0.831 690 L CB 1.184 43.071 42.059 -0.286 0.000 1.217 690 L HN 0.443 8.673 8.230 -0.000 0.000 0.420 691 F N 4.664 124.546 119.950 -0.115 0.000 2.390 691 F HA 0.393 4.919 4.527 -0.001 0.000 0.361 691 F C -0.325 175.459 175.800 -0.026 0.000 1.124 691 F CA -0.486 57.494 58.000 -0.034 0.000 1.149 691 F CB 0.929 39.944 39.000 0.025 0.000 1.160 691 F HN 0.275 8.575 8.300 -0.000 0.000 0.501 692 L N 7.132 128.216 121.223 -0.232 0.000 2.275 692 L HA 0.461 4.800 4.340 -0.001 0.000 0.288 692 L C -0.928 175.915 176.870 -0.044 0.000 1.046 692 L CA -0.172 54.614 54.840 -0.090 0.000 0.805 692 L CB 0.860 42.828 42.059 -0.153 0.000 1.193 692 L HN 0.629 8.859 8.230 -0.000 0.000 0.426 693 K N 3.923 124.402 120.400 0.132 0.000 2.535 693 K HA 0.306 4.626 4.320 -0.001 0.000 0.250 693 K C -0.581 176.092 176.600 0.122 0.000 0.948 693 K CA -0.419 55.970 56.287 0.170 0.000 0.796 693 K CB 1.092 33.778 32.500 0.309 0.000 1.216 693 K HN 0.684 8.934 8.250 -0.000 0.000 0.432 694 E N 2.106 122.364 120.200 0.096 0.000 2.360 694 E HA -0.271 4.078 4.350 -0.001 0.000 0.238 694 E C 0.350 177.005 176.600 0.091 0.000 1.186 694 E CA 0.791 57.242 56.400 0.086 0.000 0.719 694 E CB -1.396 28.354 29.700 0.082 0.000 1.236 694 E HN 1.131 9.491 8.360 -0.000 0.000 0.386 695 G N -0.683 108.172 108.800 0.092 0.000 2.148 695 G HA2 -0.349 3.611 3.960 -0.001 0.000 0.254 695 G HA3 -0.349 3.611 3.960 -0.001 0.000 0.254 695 G C 0.045 175.021 174.900 0.126 0.000 0.981 695 G CA 0.507 45.673 45.100 0.111 0.000 0.670 695 G HN 0.578 8.868 8.290 -0.000 0.000 0.528 696 S N -1.579 114.192 115.700 0.119 0.000 2.549 696 S HA 0.598 5.068 4.470 -0.001 0.000 0.280 696 S C -0.001 174.680 174.600 0.135 0.000 1.109 696 S CA -0.202 58.079 58.200 0.134 0.000 0.905 696 S CB 1.985 65.256 63.200 0.120 0.000 1.081 696 S HN 0.880 9.190 8.310 -0.000 0.000 0.477 697 V N 4.603 124.606 119.914 0.149 0.000 2.381 697 V HA 0.076 4.195 4.120 -0.001 0.000 0.257 697 V C 1.538 177.716 176.094 0.140 0.000 1.057 697 V CA -0.098 62.287 62.300 0.141 0.000 1.013 697 V CB -0.560 31.356 31.823 0.155 0.000 1.069 697 V HN 1.074 9.264 8.190 -0.000 0.000 0.484 698 C N 2.121 121.516 119.300 0.158 0.000 2.512 698 C HA 0.298 4.757 4.460 -0.001 0.000 0.276 698 C C 0.763 175.799 174.990 0.076 0.000 1.368 698 C CA 0.078 59.165 59.018 0.114 0.000 1.755 698 C CB -1.055 26.752 27.740 0.111 0.000 2.008 698 C HN 0.883 9.113 8.230 -0.000 0.000 0.511 699 E N 1.204 121.460 120.200 0.093 0.000 2.390 699 E HA 0.606 4.955 4.350 -0.001 0.000 0.277 699 E C -1.630 174.989 176.600 0.032 0.000 0.939 699 E CA -0.560 55.863 56.400 0.038 0.000 0.769 699 E CB 1.176 30.856 29.700 -0.033 0.000 1.251 699 E HN 0.697 9.057 8.360 -0.000 0.000 0.450 700 Q N 0.752 120.541 119.800 -0.017 0.000 2.522 700 Q HA 0.749 5.089 4.340 -0.001 0.000 0.285 700 Q C -0.560 175.356 176.000 -0.140 0.000 0.982 700 Q CA -0.756 54.974 55.803 -0.121 0.000 0.805 700 Q CB 2.343 31.077 28.738 -0.007 0.000 1.457 700 Q HN 1.016 9.286 8.270 -0.000 0.000 0.394 701 G N 0.531 109.105 108.800 -0.376 0.000 2.350 701 G HA2 0.257 4.217 3.960 -0.001 0.000 0.276 701 G HA3 0.257 4.217 3.960 -0.001 0.000 0.276 701 G C -0.707 174.070 174.900 -0.205 0.000 1.313 701 G CA -0.232 44.779 45.100 -0.149 0.000 0.903 701 G HN 1.103 9.393 8.290 -0.000 0.000 0.490 702 T N -2.685 111.837 114.554 -0.054 0.000 2.788 702 T HA 0.391 4.740 4.350 -0.001 0.000 0.287 702 T C 1.324 175.960 174.700 -0.107 0.000 1.007 702 T CA 1.067 63.145 62.100 -0.038 0.000 1.005 702 T CB 1.299 70.187 68.868 0.034 0.000 1.012 702 T HN 1.079 9.319 8.240 -0.000 0.000 0.530 703 H N 0.581 119.571 119.070 -0.133 0.000 2.319 703 H HA -0.026 4.529 4.556 -0.001 0.000 0.299 703 H C 1.846 177.172 175.328 -0.004 0.000 1.092 703 H CA 2.100 58.096 56.048 -0.088 0.000 1.302 703 H CB -0.491 29.289 29.762 0.030 0.000 1.373 703 H HN 0.538 8.818 8.280 -0.000 0.000 0.497 704 L N 0.001 121.218 121.223 -0.010 0.000 2.042 704 L HA -0.227 4.112 4.340 -0.001 0.000 0.210 704 L C 2.717 179.538 176.870 -0.082 0.000 1.076 704 L CA 1.682 56.493 54.840 -0.048 0.000 0.749 704 L CB -0.518 41.560 42.059 0.031 0.000 0.893 704 L HN 0.468 8.698 8.230 -0.000 0.000 0.432 705 Q N -0.259 119.500 119.800 -0.069 0.000 2.084 705 Q HA -0.169 4.170 4.340 -0.001 0.000 0.202 705 Q C 2.367 178.311 176.000 -0.094 0.000 0.978 705 Q CA 1.265 57.030 55.803 -0.063 0.000 0.844 705 Q CB -0.068 28.645 28.738 -0.041 0.000 0.898 705 Q HN 0.521 8.791 8.270 -0.000 0.000 0.426 706 L N -0.279 120.845 121.223 -0.164 0.000 2.156 706 L HA -0.109 4.231 4.340 -0.001 0.000 0.208 706 L C 2.314 179.173 176.870 -0.018 0.000 1.095 706 L CA 0.362 55.112 54.840 -0.151 0.000 0.770 706 L CB -0.197 41.603 42.059 -0.431 0.000 0.914 706 L HN 0.351 8.581 8.230 -0.000 0.000 0.439 707 M N -0.178 119.380 119.600 -0.070 0.000 2.132 707 M HA -0.152 4.328 4.480 -0.001 0.000 0.263 707 M C 2.670 178.939 176.300 -0.050 0.000 1.065 707 M CA 2.106 57.367 55.300 -0.065 0.000 1.122 707 M CB -1.250 31.236 32.600 -0.190 0.000 1.365 707 M HN 0.350 8.640 8.290 -0.000 0.000 0.411 708 E N 0.572 120.739 120.200 -0.055 0.000 2.160 708 E HA -0.194 4.156 4.350 -0.001 0.000 0.195 708 E C 2.134 178.716 176.600 -0.031 0.000 0.991 708 E CA 1.470 57.849 56.400 -0.036 0.000 0.810 708 E CB -0.897 28.785 29.700 -0.030 0.000 0.742 708 E HN 0.501 8.861 8.360 -0.000 0.000 0.466 709 R N -1.164 119.315 120.500 -0.035 0.000 2.148 709 R HA -0.012 4.328 4.340 -0.001 0.000 0.227 709 R C 1.627 177.906 176.300 -0.034 0.000 1.103 709 R CA 0.897 56.977 56.100 -0.033 0.000 0.983 709 R CB -0.381 29.894 30.300 -0.041 0.000 0.874 709 R HN 0.622 8.892 8.270 -0.000 0.000 0.451 710 G N -0.487 108.293 108.800 -0.034 0.000 2.273 710 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.280 710 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.280 710 G C 0.190 175.058 174.900 -0.053 0.000 1.047 710 G CA 0.424 45.501 45.100 -0.039 0.000 0.869 710 G HN 0.613 8.903 8.290 -0.000 0.000 0.502 711 G N -1.610 107.146 108.800 -0.072 0.000 3.341 711 G HA2 0.392 4.351 3.960 -0.001 0.000 0.177 711 G HA3 0.392 4.351 3.960 -0.001 0.000 0.177 711 G C 1.434 176.226 174.900 -0.180 0.000 1.236 711 G CA 0.689 45.721 45.100 -0.114 0.000 0.888 711 G HN 0.641 8.931 8.290 -0.000 0.000 0.644 712 C N -0.990 118.110 119.300 -0.334 0.000 2.466 712 C HA 0.040 4.500 4.460 -0.001 0.000 0.278 712 C C 2.355 176.998 174.990 -0.579 0.000 1.288 712 C CA 1.047 59.725 59.018 -0.566 0.000 1.722 712 C CB -1.209 25.885 27.740 -1.077 0.000 2.017 712 C HN 0.539 8.769 8.230 -0.000 0.000 0.488 713 Y N 2.288 122.188 120.300 -0.667 0.000 2.181 713 Y HA -0.207 4.343 4.550 -0.000 0.000 0.288 713 Y C 2.739 178.593 175.900 -0.076 0.000 1.146 713 Y CA 2.130 60.113 58.100 -0.195 0.000 1.164 713 Y CB -0.440 37.981 38.460 -0.064 0.000 0.982 713 Y HN 0.159 8.439 8.280 -0.000 0.000 0.515 714 R N 0.197 120.655 120.500 -0.071 0.000 2.080 714 R HA -0.147 4.192 4.340 -0.001 0.000 0.236 714 R C 2.330 178.551 176.300 -0.131 0.000 1.137 714 R CA 2.228 58.265 56.100 -0.105 0.000 0.943 714 R CB -0.952 29.316 30.300 -0.054 0.000 0.846 714 R HN 0.294 8.564 8.270 -0.000 0.000 0.431 715 S N 0.180 115.813 115.700 -0.112 0.000 2.383 715 S HA -0.178 4.291 4.470 -0.001 0.000 0.229 715 S C 1.810 176.371 174.600 -0.065 0.000 1.030 715 S CA 1.540 59.694 58.200 -0.077 0.000 1.002 715 S CB -0.316 62.846 63.200 -0.064 0.000 0.829 715 S HN 0.422 8.732 8.310 -0.000 0.000 0.467 716 M N 1.126 120.685 119.600 -0.068 0.000 2.086 716 M HA -0.115 4.365 4.480 -0.001 0.000 0.261 716 M C 1.947 178.187 176.300 -0.100 0.000 1.067 716 M CA 1.539 56.825 55.300 -0.023 0.000 1.116 716 M CB -0.312 32.347 32.600 0.098 0.000 1.348 716 M HN 0.169 8.459 8.290 -0.000 0.000 0.407 717 V N 0.717 120.497 119.914 -0.223 0.000 2.343 717 V HA -0.267 3.853 4.120 -0.001 0.000 0.247 717 V C 1.800 177.841 176.094 -0.088 0.000 1.051 717 V CA 2.082 64.270 62.300 -0.186 0.000 1.036 717 V CB -0.786 30.886 31.823 -0.252 0.000 0.654 717 V HN 0.535 8.725 8.190 -0.000 0.000 0.451 718 E N -0.073 120.080 120.200 -0.078 0.000 2.481 718 E HA 0.212 4.561 4.350 -0.001 0.000 0.195 718 E C 1.047 177.626 176.600 -0.034 0.000 1.047 718 E CA 0.329 56.701 56.400 -0.046 0.000 0.867 718 E CB 0.078 29.753 29.700 -0.042 0.000 0.858 718 E HN 0.648 9.008 8.360 -0.000 0.000 0.513 719 A N 0.000 122.799 122.820 -0.035 0.000 2.254 719 A HA 0.000 4.319 4.320 -0.001 0.000 0.244 719 A CA 0.000 52.024 52.037 -0.022 0.000 0.836 719 A CB 0.000 18.992 19.000 -0.014 0.000 0.831 719 A HN 0.000 8.150 8.150 -0.000 0.000 0.486