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 1suu_1_A DATA FIRST_RESID 506 DATA SEQUENCE ENIVVMLTKK GFLKRLSQNE YKLQGTGGKG LSSFDLNDGD EIVIALCVNT DATA SEQUENCE HDYLFMISNE GKLYLINAYE IKDXXXXXXX QNISELINLG DQEEILTIKN DATA SEQUENCE SKDLTDDAYL LLTTASGKIA RFESTDFKAX XXXGVIVIKL NDKDFVTSAE DATA SEQUENCE IVFKDEKVIC LSKKGSAFIF NSRDVRLTNR GTQGVCGMKL KEGDLFVKVL DATA SEQUENCE SVKENPYLLI VSENGYGKRL NMSKISELKR GATGYTSYKK SDKKAGSVVD DATA SEQUENCE AIAVSEDDEI LLVSKRSKAL RTVAGKVSEQ GKDARGIQVL FLDNDSLVSV DATA SEQUENCE SKFI 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 506 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 506 E C 0.000 176.570 176.600 -0.050 0.000 1.382 506 E CA 0.000 56.357 56.400 -0.072 0.000 0.976 506 E CB 0.000 29.667 29.700 -0.054 0.000 0.812 507 N N 1.019 119.716 118.700 -0.005 0.000 2.419 507 N HA 0.643 5.382 4.740 -0.002 0.000 0.277 507 N C -0.057 175.471 175.510 0.029 0.000 1.006 507 N CA 0.121 53.178 53.050 0.012 0.000 0.923 507 N CB 1.817 40.328 38.487 0.041 0.000 1.140 507 N HN 0.816 9.196 8.380 -0.000 0.000 0.488 508 I N -2.234 118.338 120.570 0.004 0.000 3.042 508 I HA 0.613 4.782 4.170 -0.002 0.000 0.310 508 I C -0.786 175.309 176.117 -0.036 0.000 1.117 508 I CA -1.157 60.153 61.300 0.017 0.000 1.003 508 I CB 1.884 39.894 38.000 0.016 0.000 1.228 508 I HN -0.070 8.140 8.210 -0.000 0.000 0.443 509 V N 3.879 123.787 119.914 -0.009 0.000 2.394 509 V HA 0.472 4.591 4.120 -0.002 0.000 0.282 509 V C 0.073 176.162 176.094 -0.008 0.000 1.031 509 V CA -0.586 61.667 62.300 -0.078 0.000 0.881 509 V CB 1.423 33.182 31.823 -0.107 0.000 0.982 509 V HN 0.601 8.791 8.190 -0.000 0.000 0.451 510 V N 3.746 123.645 119.914 -0.025 0.000 2.459 510 V HA 0.743 4.862 4.120 -0.002 0.000 0.295 510 V C -0.468 175.652 176.094 0.043 0.000 1.029 510 V CA -0.621 61.687 62.300 0.013 0.000 0.874 510 V CB 1.644 33.467 31.823 0.000 0.000 0.985 510 V HN 0.808 8.998 8.190 -0.000 0.000 0.438 511 M N 5.266 124.934 119.600 0.113 0.000 2.464 511 M HA 0.653 5.132 4.480 -0.002 0.000 0.308 511 M C -1.351 175.087 176.300 0.230 0.000 1.127 511 M CA -0.630 54.780 55.300 0.183 0.000 0.913 511 M CB 2.426 35.214 32.600 0.313 0.000 1.689 511 M HN 0.723 9.013 8.290 -0.000 0.000 0.445 512 L N 2.207 123.510 121.223 0.133 0.000 2.365 512 L HA 0.738 5.077 4.340 -0.002 0.000 0.273 512 L C -0.130 176.739 176.870 -0.001 0.000 1.000 512 L CA 0.040 54.930 54.840 0.084 0.000 0.819 512 L CB 2.173 44.245 42.059 0.023 0.000 1.284 512 L HN 0.859 9.089 8.230 -0.000 0.000 0.418 513 T N 0.267 114.788 114.554 -0.055 0.000 2.912 513 T HA 0.339 4.688 4.350 -0.002 0.000 0.280 513 T C 0.932 175.579 174.700 -0.089 0.000 0.989 513 T CA -0.263 61.753 62.100 -0.141 0.000 0.995 513 T CB 1.357 70.074 68.868 -0.251 0.000 1.077 513 T HN 0.683 8.923 8.240 -0.000 0.000 0.531 514 K N 0.665 121.011 120.400 -0.089 0.000 2.103 514 K HA -0.052 4.267 4.320 -0.002 0.000 0.207 514 K C 1.859 178.411 176.600 -0.079 0.000 1.048 514 K CA 1.579 57.819 56.287 -0.077 0.000 0.930 514 K CB -0.235 32.224 32.500 -0.068 0.000 0.716 514 K HN 0.637 8.887 8.250 -0.000 0.000 0.444 515 K N -1.251 119.119 120.400 -0.050 0.000 2.487 515 K HA 0.094 4.413 4.320 -0.002 0.000 0.192 515 K C 0.545 176.977 176.600 -0.281 0.000 1.027 515 K CA 0.567 56.810 56.287 -0.074 0.000 1.054 515 K CB 0.368 32.931 32.500 0.105 0.000 0.824 515 K HN 0.471 8.721 8.250 -0.000 0.000 0.510 516 G N 1.069 109.728 108.800 -0.234 0.000 2.141 516 G HA2 -0.238 3.721 3.960 -0.002 0.000 0.231 516 G HA3 -0.238 3.721 3.960 -0.002 0.000 0.231 516 G C -0.157 174.538 174.900 -0.342 0.000 0.984 516 G CA -0.530 44.392 45.100 -0.298 0.000 0.660 516 G HN 0.140 8.430 8.290 -0.000 0.000 0.525 517 F N 0.249 120.188 119.950 -0.020 0.000 2.399 517 F HA 0.699 5.226 4.527 -0.001 0.000 0.342 517 F C 1.043 176.957 175.800 0.191 0.000 1.106 517 F CA -0.572 57.477 58.000 0.081 0.000 1.196 517 F CB 0.939 40.005 39.000 0.110 0.000 1.163 517 F HN -0.019 8.281 8.300 -0.000 0.000 0.547 518 L N 2.818 124.291 121.223 0.416 0.000 2.334 518 L HA 0.596 4.935 4.340 -0.002 0.000 0.272 518 L C -0.375 176.665 176.870 0.283 0.000 1.020 518 L CA -0.794 54.235 54.840 0.316 0.000 0.812 518 L CB 1.964 44.106 42.059 0.139 0.000 1.264 518 L HN 0.563 8.793 8.230 -0.000 0.000 0.439 519 K N 2.046 122.530 120.400 0.141 0.000 2.508 519 K HA 0.611 4.930 4.320 -0.002 0.000 0.260 519 K C -1.503 175.063 176.600 -0.055 0.000 0.949 519 K CA -0.850 55.332 56.287 -0.175 0.000 0.834 519 K CB 2.469 34.486 32.500 -0.805 0.000 1.365 519 K HN 0.625 8.875 8.250 -0.000 0.000 0.437 520 R N 3.814 124.271 120.500 -0.072 0.000 2.621 520 R HA 0.522 4.861 4.340 -0.002 0.000 0.284 520 R C -1.986 174.304 176.300 -0.017 0.000 0.998 520 R CA -0.663 55.426 56.100 -0.018 0.000 0.895 520 R CB 1.086 31.384 30.300 -0.004 0.000 1.195 520 R HN 0.410 8.680 8.270 -0.000 0.000 0.450 521 L N 1.635 122.882 121.223 0.040 0.000 2.422 521 L HA 0.366 4.705 4.340 -0.002 0.000 0.264 521 L C -0.188 176.753 176.870 0.118 0.000 0.984 521 L CA -0.341 54.536 54.840 0.062 0.000 0.819 521 L CB 2.127 44.246 42.059 0.099 0.000 1.330 521 L HN 0.807 9.037 8.230 -0.000 0.000 0.410 522 S N 0.957 116.710 115.700 0.089 0.000 2.558 522 S HA 0.028 4.497 4.470 -0.002 0.000 0.288 522 S C 1.088 175.835 174.600 0.245 0.000 1.318 522 S CA 0.137 58.407 58.200 0.116 0.000 1.056 522 S CB 0.541 63.783 63.200 0.071 0.000 0.853 522 S HN 0.701 9.011 8.310 -0.000 0.000 0.505 523 Q N 2.611 122.565 119.800 0.256 0.000 2.197 523 Q HA -0.158 4.181 4.340 -0.002 0.000 0.207 523 Q C 1.157 177.421 176.000 0.440 0.000 0.984 523 Q CA 1.422 57.487 55.803 0.437 0.000 0.869 523 Q CB -0.196 28.768 28.738 0.378 0.000 0.906 523 Q HN 0.669 8.939 8.270 -0.000 0.000 0.426 524 N N 0.441 119.278 118.700 0.229 0.000 2.571 524 N HA -0.091 4.648 4.740 -0.002 0.000 0.189 524 N C 0.986 176.544 175.510 0.080 0.000 1.154 524 N CA 0.593 53.722 53.050 0.131 0.000 0.907 524 N CB 0.139 38.668 38.487 0.070 0.000 0.977 524 N HN 0.276 8.656 8.380 -0.000 0.000 0.449 525 E N -0.125 120.115 120.200 0.066 0.000 2.274 525 E HA -0.061 4.288 4.350 -0.002 0.000 0.194 525 E C -0.180 176.293 176.600 -0.212 0.000 0.996 525 E CA 0.453 56.772 56.400 -0.136 0.000 0.840 525 E CB -0.032 29.481 29.700 -0.312 0.000 0.772 525 E HN 0.449 8.809 8.360 -0.000 0.000 0.491 526 Y N 0.870 121.211 120.300 0.069 0.000 2.341 526 Y HA 0.363 4.912 4.550 -0.001 0.000 0.340 526 Y C 0.915 176.786 175.900 -0.049 0.000 0.997 526 Y CA -0.503 57.627 58.100 0.051 0.000 1.149 526 Y CB 0.682 39.251 38.460 0.181 0.000 1.171 526 Y HN -0.261 8.019 8.280 -0.000 0.000 0.494 527 K N 3.471 123.908 120.400 0.062 0.000 2.143 527 K HA 0.534 4.853 4.320 -0.002 0.000 0.272 527 K C -0.778 175.805 176.600 -0.028 0.000 1.001 527 K CA -0.966 55.319 56.287 -0.004 0.000 0.915 527 K CB 0.980 33.474 32.500 -0.009 0.000 1.047 527 K HN 0.706 8.956 8.250 -0.000 0.000 0.458 528 L N 2.450 123.629 121.223 -0.073 0.000 2.455 528 L HA 0.192 4.531 4.340 -0.002 0.000 0.272 528 L C 0.067 176.912 176.870 -0.041 0.000 1.174 528 L CA 0.599 55.387 54.840 -0.086 0.000 0.869 528 L CB 0.655 42.655 42.059 -0.098 0.000 1.130 528 L HN 0.838 9.068 8.230 -0.000 0.000 0.474 529 Q N 3.217 123.001 119.800 -0.028 0.000 2.668 529 Q HA 0.556 4.895 4.340 -0.002 0.000 0.298 529 Q C -0.107 175.886 176.000 -0.011 0.000 1.071 529 Q CA -0.408 55.388 55.803 -0.012 0.000 0.789 529 Q CB 1.186 29.927 28.738 0.006 0.000 1.497 529 Q HN 0.768 9.038 8.270 -0.000 0.000 0.460 530 G N 0.323 109.119 108.800 -0.008 0.000 2.508 530 G HA2 0.393 4.352 3.960 -0.002 0.000 0.278 530 G HA3 0.393 4.352 3.960 -0.002 0.000 0.278 530 G C -0.241 174.660 174.900 0.001 0.000 1.389 530 G CA -0.051 45.045 45.100 -0.006 0.000 1.050 530 G HN 0.555 8.845 8.290 -0.000 0.000 0.522 531 T N -4.111 110.443 114.554 -0.000 0.000 2.934 531 T HA 0.533 4.882 4.350 -0.002 0.000 0.283 531 T C 1.152 175.853 174.700 0.002 0.000 1.005 531 T CA 0.591 62.693 62.100 0.003 0.000 1.041 531 T CB 1.434 70.301 68.868 -0.001 0.000 1.042 531 T HN 2.132 10.372 8.240 -0.000 0.000 0.505 532 G N 0.227 109.032 108.800 0.009 0.000 2.213 532 G HA2 -0.048 3.911 3.960 -0.002 0.000 0.236 532 G HA3 -0.048 3.911 3.960 -0.002 0.000 0.236 532 G C 0.525 175.450 174.900 0.042 0.000 0.991 532 G CA 0.055 45.165 45.100 0.017 0.000 0.629 532 G HN 1.268 9.558 8.290 -0.000 0.000 0.517 533 G N -0.408 108.413 108.800 0.035 0.000 2.616 533 G HA2 0.503 4.462 3.960 -0.002 0.000 0.268 533 G HA3 0.503 4.462 3.960 -0.002 0.000 0.268 533 G C 0.774 175.738 174.900 0.106 0.000 1.213 533 G CA 0.211 45.332 45.100 0.035 0.000 0.926 533 G HN 0.319 8.609 8.290 -0.000 0.000 0.523 534 K N 0.174 120.634 120.400 0.101 0.000 2.404 534 K HA 0.238 4.558 4.320 -0.002 0.000 0.194 534 K C 1.377 178.049 176.600 0.120 0.000 1.023 534 K CA 0.527 56.917 56.287 0.171 0.000 1.094 534 K CB 0.139 32.740 32.500 0.169 0.000 0.841 534 K HN 0.921 9.171 8.250 -0.000 0.000 0.523 535 G N 1.864 110.720 108.800 0.092 0.000 2.752 535 G HA2 -0.277 3.682 3.960 -0.002 0.000 0.234 535 G HA3 -0.277 3.682 3.960 -0.002 0.000 0.234 535 G C -0.736 174.213 174.900 0.081 0.000 1.367 535 G CA -0.727 44.429 45.100 0.092 0.000 0.879 535 G HN 0.145 8.435 8.290 -0.000 0.000 0.563 536 L N -0.153 121.124 121.223 0.089 0.000 2.381 536 L HA 0.542 4.881 4.340 -0.002 0.000 0.268 536 L C 0.743 177.660 176.870 0.078 0.000 0.997 536 L CA -0.914 53.966 54.840 0.066 0.000 0.818 536 L CB 2.268 44.349 42.059 0.037 0.000 1.310 536 L HN 0.659 8.889 8.230 -0.000 0.000 0.416 537 S N 0.458 116.195 115.700 0.063 0.000 2.552 537 S HA 0.061 4.530 4.470 -0.002 0.000 0.289 537 S C 0.785 175.427 174.600 0.071 0.000 1.304 537 S CA -0.014 58.230 58.200 0.074 0.000 1.063 537 S CB 0.720 63.956 63.200 0.059 0.000 0.848 537 S HN 0.802 9.112 8.310 -0.000 0.000 0.499 538 S N 1.730 117.499 115.700 0.115 0.000 2.733 538 S HA 0.383 4.852 4.470 -0.002 0.000 0.247 538 S C -0.255 174.419 174.600 0.122 0.000 1.043 538 S CA -0.486 57.774 58.200 0.101 0.000 1.066 538 S CB 0.065 63.368 63.200 0.171 0.000 1.045 538 S HN 0.585 8.895 8.310 -0.000 0.000 0.586 539 F N 2.055 122.019 119.950 0.023 0.000 2.588 539 F HA 0.375 4.901 4.527 -0.002 0.000 0.318 539 F C -1.471 174.323 175.800 -0.009 0.000 1.155 539 F CA -0.885 57.121 58.000 0.011 0.000 0.967 539 F CB 1.552 40.567 39.000 0.025 0.000 1.236 539 F HN -0.019 8.281 8.300 -0.000 0.000 0.455 540 D N 6.413 127.030 120.400 0.363 0.000 2.383 540 D HA 0.249 4.888 4.640 -0.002 0.000 0.245 540 D C -0.826 175.584 176.300 0.183 0.000 1.263 540 D CA 0.364 54.480 54.000 0.192 0.000 0.936 540 D CB 0.342 41.189 40.800 0.080 0.000 1.053 540 D HN 0.408 8.778 8.370 -0.000 0.000 0.507 541 L N 3.839 125.100 121.223 0.062 0.000 2.289 541 L HA 0.426 4.765 4.340 -0.002 0.000 0.285 541 L C 0.326 177.163 176.870 -0.056 0.000 1.049 541 L CA -0.697 54.103 54.840 -0.067 0.000 0.804 541 L CB 1.201 43.195 42.059 -0.108 0.000 1.195 541 L HN 0.296 8.526 8.230 -0.000 0.000 0.428 542 N N 0.065 118.713 118.700 -0.086 0.000 2.292 542 N HA 0.531 5.270 4.740 -0.002 0.000 0.303 542 N C -0.162 175.324 175.510 -0.041 0.000 1.140 542 N CA -0.078 52.935 53.050 -0.063 0.000 0.788 542 N CB 1.492 39.928 38.487 -0.084 0.000 1.361 542 N HN 0.692 9.072 8.380 -0.000 0.000 0.489 543 D N -0.120 120.265 120.400 -0.024 0.000 2.723 543 D HA -0.048 4.591 4.640 -0.002 0.000 0.236 543 D C 0.994 177.288 176.300 -0.011 0.000 1.138 543 D CA 1.360 55.353 54.000 -0.010 0.000 0.676 543 D CB -2.178 38.625 40.800 0.004 0.000 1.069 543 D HN 1.307 9.677 8.370 -0.000 0.000 0.430 544 G N -0.764 108.025 108.800 -0.019 0.000 2.168 544 G HA2 -0.131 3.828 3.960 -0.002 0.000 0.257 544 G HA3 -0.131 3.828 3.960 -0.002 0.000 0.257 544 G C 0.245 175.126 174.900 -0.031 0.000 0.997 544 G CA 0.963 46.050 45.100 -0.022 0.000 0.708 544 G HN 1.253 9.543 8.290 -0.000 0.000 0.520 545 D N 1.165 121.542 120.400 -0.038 0.000 2.378 545 D HA 0.469 5.108 4.640 -0.002 0.000 0.238 545 D C 0.825 177.073 176.300 -0.087 0.000 1.180 545 D CA 0.797 54.762 54.000 -0.057 0.000 0.895 545 D CB 0.448 41.207 40.800 -0.069 0.000 1.192 545 D HN 0.748 9.118 8.370 -0.000 0.000 0.438 546 E N 0.931 121.067 120.200 -0.105 0.000 2.413 546 E HA 0.341 4.690 4.350 -0.002 0.000 0.277 546 E C -0.728 175.791 176.600 -0.135 0.000 0.958 546 E CA -0.914 55.421 56.400 -0.108 0.000 0.779 546 E CB 0.802 30.462 29.700 -0.066 0.000 1.278 546 E HN 0.147 8.507 8.360 -0.000 0.000 0.456 547 I N 2.616 123.118 120.570 -0.113 0.000 2.556 547 I HA -0.024 4.145 4.170 -0.002 0.000 0.284 547 I C 1.276 177.362 176.117 -0.051 0.000 1.114 547 I CA -0.051 61.198 61.300 -0.084 0.000 1.418 547 I CB 0.990 38.980 38.000 -0.018 0.000 1.394 547 I HN 0.711 8.921 8.210 -0.000 0.000 0.552 548 V N 5.093 124.980 119.914 -0.045 0.000 3.570 548 V HA 0.429 4.548 4.120 -0.002 0.000 0.257 548 V C 0.583 176.667 176.094 -0.017 0.000 1.272 548 V CA 0.355 62.634 62.300 -0.034 0.000 1.079 548 V CB 0.345 32.139 31.823 -0.047 0.000 0.829 548 V HN 0.516 8.706 8.190 -0.000 0.000 0.454 549 I N 0.908 121.475 120.570 -0.006 0.000 2.644 549 I HA 0.806 4.975 4.170 -0.002 0.000 0.291 549 I C -0.725 175.400 176.117 0.015 0.000 1.180 549 I CA -0.528 60.772 61.300 0.001 0.000 1.040 549 I CB 2.089 40.089 38.000 0.000 0.000 1.255 549 I HN 0.231 8.441 8.210 -0.000 0.000 0.422 550 A N 7.229 130.048 122.820 -0.001 0.000 2.455 550 A HA 0.974 5.293 4.320 -0.002 0.000 0.300 550 A C -1.328 176.223 177.584 -0.056 0.000 1.040 550 A CA -0.496 51.533 52.037 -0.013 0.000 0.697 550 A CB 1.803 20.797 19.000 -0.009 0.000 1.265 550 A HN 0.743 8.893 8.150 -0.000 0.000 0.407 551 L N -1.211 119.965 121.223 -0.079 0.000 2.518 551 L HA 0.791 5.130 4.340 -0.002 0.000 0.257 551 L C -1.084 175.689 176.870 -0.162 0.000 0.980 551 L CA -0.893 53.879 54.840 -0.112 0.000 0.837 551 L CB 1.533 43.554 42.059 -0.062 0.000 1.410 551 L HN 0.525 8.755 8.230 -0.000 0.000 0.410 552 C N 2.550 121.720 119.300 -0.217 0.000 2.347 552 C HA 0.791 5.250 4.460 -0.002 0.000 0.353 552 C C 0.526 175.446 174.990 -0.117 0.000 1.273 552 C CA -0.340 58.534 59.018 -0.240 0.000 1.861 552 C CB 0.207 27.714 27.740 -0.389 0.000 2.420 552 C HN 0.676 8.906 8.230 -0.000 0.000 0.542 553 V N 2.475 122.341 119.914 -0.080 0.000 3.159 553 V HA 0.633 4.752 4.120 -0.002 0.000 0.308 553 V C -0.730 175.350 176.094 -0.023 0.000 1.190 553 V CA -0.674 61.605 62.300 -0.034 0.000 1.037 553 V CB 1.879 33.688 31.823 -0.024 0.000 1.060 553 V HN 0.838 9.028 8.190 -0.000 0.000 0.437 554 N N 1.149 119.846 118.700 -0.006 0.000 2.524 554 N HA 0.169 4.908 4.740 -0.002 0.000 0.283 554 N C 1.260 176.756 175.510 -0.024 0.000 1.142 554 N CA 0.421 53.459 53.050 -0.020 0.000 0.984 554 N CB 2.179 40.662 38.487 -0.006 0.000 1.155 554 N HN 1.078 9.458 8.380 -0.000 0.000 0.467 555 T N 0.249 114.768 114.554 -0.057 0.000 2.849 555 T HA -0.147 4.202 4.350 -0.002 0.000 0.270 555 T C 1.277 176.074 174.700 0.161 0.000 1.066 555 T CA 1.342 63.453 62.100 0.019 0.000 1.130 555 T CB -0.569 68.314 68.868 0.025 0.000 0.864 555 T HN 0.668 8.908 8.240 -0.000 0.000 0.481 556 H N 0.656 119.786 119.070 0.101 0.000 2.529 556 H HA 0.153 4.708 4.556 -0.001 0.000 0.277 556 H C 0.150 175.426 175.328 -0.086 0.000 0.999 556 H CA -0.333 55.771 56.048 0.093 0.000 1.256 556 H CB 0.104 29.916 29.762 0.083 0.000 1.402 556 H HN 0.358 8.638 8.280 -0.000 0.000 0.566 557 D N 0.706 121.131 120.400 0.042 0.000 2.472 557 D HA -0.074 4.566 4.640 -0.002 0.000 0.237 557 D C -0.242 175.958 176.300 -0.167 0.000 1.141 557 D CA 0.441 54.445 54.000 0.006 0.000 0.875 557 D CB 0.390 41.216 40.800 0.043 0.000 1.192 557 D HN 0.183 8.553 8.370 -0.000 0.000 0.450 558 Y N 0.601 120.875 120.300 -0.042 0.000 2.411 558 Y HA 0.181 4.730 4.550 -0.001 0.000 0.333 558 Y C 0.541 176.367 175.900 -0.123 0.000 1.186 558 Y CA -0.093 57.921 58.100 -0.143 0.000 1.381 558 Y CB 0.485 38.834 38.460 -0.186 0.000 1.273 558 Y HN 0.065 8.345 8.280 -0.000 0.000 0.546 559 L N 4.904 126.097 121.223 -0.051 0.000 2.294 559 L HA 0.363 4.702 4.340 -0.002 0.000 0.283 559 L C -1.016 175.800 176.870 -0.090 0.000 1.015 559 L CA -0.551 54.276 54.840 -0.023 0.000 0.831 559 L CB 0.488 42.523 42.059 -0.040 0.000 1.217 559 L HN 0.487 8.717 8.230 -0.000 0.000 0.420 560 F N 3.903 123.854 119.950 0.002 0.000 2.467 560 F HA 0.370 4.896 4.527 -0.002 0.000 0.362 560 F C 0.545 176.321 175.800 -0.040 0.000 1.090 560 F CA 0.212 58.182 58.000 -0.050 0.000 1.202 560 F CB 0.770 39.711 39.000 -0.097 0.000 1.113 560 F HN 0.328 8.628 8.300 -0.000 0.000 0.541 561 M N 5.663 125.340 119.600 0.129 0.000 2.259 561 M HA 0.466 4.945 4.480 -0.002 0.000 0.304 561 M C -1.282 175.099 176.300 0.135 0.000 1.019 561 M CA -0.614 54.748 55.300 0.103 0.000 0.922 561 M CB 2.205 34.843 32.600 0.064 0.000 1.600 561 M HN 0.221 8.511 8.290 -0.000 0.000 0.433 562 I N 2.228 122.849 120.570 0.085 0.000 2.404 562 I HA 0.426 4.595 4.170 -0.002 0.000 0.293 562 I C 0.458 176.627 176.117 0.087 0.000 0.992 562 I CA -0.434 60.908 61.300 0.070 0.000 1.149 562 I CB 1.592 39.599 38.000 0.012 0.000 1.315 562 I HN 0.745 8.955 8.210 -0.000 0.000 0.446 563 S N 4.353 120.128 115.700 0.124 0.000 2.693 563 S HA 0.240 4.709 4.470 -0.002 0.000 0.276 563 S C 0.989 175.631 174.600 0.070 0.000 1.192 563 S CA -0.610 57.650 58.200 0.100 0.000 0.994 563 S CB 1.208 64.513 63.200 0.175 0.000 1.012 563 S HN 0.666 8.976 8.310 -0.000 0.000 0.550 564 N N 0.073 118.797 118.700 0.040 0.000 2.571 564 N HA -0.093 4.646 4.740 -0.002 0.000 0.189 564 N C 0.409 175.948 175.510 0.049 0.000 1.154 564 N CA 0.606 53.677 53.050 0.034 0.000 0.907 564 N CB -0.478 37.997 38.487 -0.020 0.000 0.977 564 N HN 0.827 9.207 8.380 -0.000 0.000 0.449 565 E N -0.649 119.584 120.200 0.055 0.000 2.501 565 E HA 0.223 4.572 4.350 -0.002 0.000 0.200 565 E C 0.268 176.894 176.600 0.044 0.000 1.016 565 E CA -0.030 56.400 56.400 0.050 0.000 0.921 565 E CB 0.099 29.828 29.700 0.048 0.000 1.034 565 E HN 0.435 8.795 8.360 -0.000 0.000 0.468 566 G N 2.452 111.281 108.800 0.049 0.000 2.179 566 G HA2 -0.327 3.632 3.960 -0.002 0.000 0.257 566 G HA3 -0.327 3.632 3.960 -0.002 0.000 0.257 566 G C -0.013 174.873 174.900 -0.024 0.000 1.010 566 G CA 0.415 45.529 45.100 0.024 0.000 0.736 566 G HN 0.156 8.446 8.290 -0.000 0.000 0.513 567 K N -0.686 119.703 120.400 -0.017 0.000 2.110 567 K HA 0.703 5.022 4.320 -0.002 0.000 0.263 567 K C -0.058 176.407 176.600 -0.224 0.000 0.975 567 K CA -0.828 55.377 56.287 -0.138 0.000 0.895 567 K CB 2.188 34.611 32.500 -0.128 0.000 1.060 567 K HN 0.193 8.443 8.250 -0.000 0.000 0.448 568 L N 3.093 124.053 121.223 -0.439 0.000 2.307 568 L HA 0.442 4.781 4.340 -0.002 0.000 0.284 568 L C -1.576 174.921 176.870 -0.621 0.000 1.023 568 L CA -0.572 54.016 54.840 -0.420 0.000 0.810 568 L CB 0.526 42.255 42.059 -0.550 0.000 1.231 568 L HN 0.540 8.770 8.230 -0.000 0.000 0.423 569 Y N 4.474 124.700 120.300 -0.124 0.000 2.524 569 Y HA 0.629 5.178 4.550 -0.001 0.000 0.344 569 Y C -0.560 175.240 175.900 -0.167 0.000 1.012 569 Y CA -0.835 57.197 58.100 -0.114 0.000 1.068 569 Y CB 2.055 40.464 38.460 -0.084 0.000 1.249 569 Y HN 0.366 8.646 8.280 -0.000 0.000 0.468 570 L N 4.432 125.639 121.223 -0.026 0.000 2.409 570 L HA 0.637 4.976 4.340 -0.002 0.000 0.272 570 L C -0.917 175.912 176.870 -0.068 0.000 0.980 570 L CA -0.691 54.052 54.840 -0.162 0.000 0.826 570 L CB 1.668 43.577 42.059 -0.250 0.000 1.268 570 L HN 0.679 8.909 8.230 -0.000 0.000 0.407 571 I N -0.085 120.425 120.570 -0.100 0.000 3.239 571 I HA 0.586 4.755 4.170 -0.002 0.000 0.314 571 I C -0.917 175.058 176.117 -0.236 0.000 1.126 571 I CA -0.975 60.246 61.300 -0.132 0.000 0.973 571 I CB 2.289 40.213 38.000 -0.127 0.000 1.252 571 I HN 0.388 8.598 8.210 -0.000 0.000 0.463 572 N N 1.243 119.688 118.700 -0.425 0.000 2.487 572 N HA 0.363 5.102 4.740 -0.002 0.000 0.292 572 N C 0.702 175.843 175.510 -0.614 0.000 1.108 572 N CA -0.053 52.578 53.050 -0.697 0.000 0.956 572 N CB 2.126 39.891 38.487 -1.203 0.000 1.176 572 N HN 0.863 9.243 8.380 -0.000 0.000 0.484 573 A N 1.860 124.418 122.820 -0.438 0.000 1.978 573 A HA -0.217 4.102 4.320 -0.002 0.000 0.220 573 A C 1.498 178.985 177.584 -0.162 0.000 1.170 573 A CA 1.431 53.334 52.037 -0.222 0.000 0.636 573 A CB -0.920 18.015 19.000 -0.107 0.000 0.810 573 A HN 0.816 8.966 8.150 -0.000 0.000 0.448 574 Y N -0.412 119.869 120.300 -0.031 0.000 2.483 574 Y HA 0.036 4.585 4.550 -0.002 0.000 0.291 574 Y C 1.573 177.461 175.900 -0.019 0.000 1.143 574 Y CA 0.755 58.845 58.100 -0.016 0.000 1.289 574 Y CB -0.959 37.506 38.460 0.009 0.000 0.983 574 Y HN 0.415 8.695 8.280 -0.000 0.000 0.556 575 E N 1.145 121.319 120.200 -0.044 0.000 2.268 575 E HA -0.009 4.340 4.350 -0.002 0.000 0.195 575 E C 0.204 176.812 176.600 0.013 0.000 0.995 575 E CA 0.314 56.724 56.400 0.017 0.000 0.836 575 E CB -0.055 29.596 29.700 -0.081 0.000 0.763 575 E HN 0.503 8.863 8.360 -0.000 0.000 0.491 576 I N 2.355 122.922 120.570 -0.005 0.000 2.471 576 I HA 0.015 4.184 4.170 -0.002 0.000 0.286 576 I C 0.339 176.471 176.117 0.025 0.000 1.079 576 I CA -0.081 61.223 61.300 0.006 0.000 1.398 576 I CB 0.570 38.568 38.000 -0.004 0.000 1.403 576 I HN -0.188 8.022 8.210 -0.000 0.000 0.530 577 K N 4.320 124.734 120.400 0.024 0.000 2.326 577 K HA 0.291 4.610 4.320 -0.002 0.000 0.275 577 K C 0.181 176.785 176.600 0.005 0.000 1.018 577 K CA 0.027 56.326 56.287 0.021 0.000 0.962 577 K CB 0.501 33.013 32.500 0.020 0.000 0.953 577 K HN 0.754 9.004 8.250 -0.000 0.000 0.475 587 N N 3.457 122.225 118.700 0.113 0.000 2.530 587 N HA 0.118 4.857 4.740 -0.002 0.000 0.277 587 N C 0.946 176.385 175.510 -0.118 0.000 1.168 587 N CA -0.039 52.915 53.050 -0.159 0.000 0.979 587 N CB 1.075 39.343 38.487 -0.365 0.000 1.141 587 N HN 0.780 9.160 8.380 -0.000 0.000 0.459 588 I N 3.259 123.733 120.570 -0.160 0.000 2.423 588 I HA -0.258 3.911 4.170 -0.002 0.000 0.254 588 I C 2.266 178.289 176.117 -0.157 0.000 1.151 588 I CA 1.454 62.671 61.300 -0.139 0.000 1.421 588 I CB -0.448 37.458 38.000 -0.157 0.000 1.079 588 I HN 0.687 8.897 8.210 -0.000 0.000 0.431 589 S N -0.407 115.188 115.700 -0.174 0.000 2.465 589 S HA -0.187 4.282 4.470 -0.002 0.000 0.241 589 S C 1.647 176.187 174.600 -0.100 0.000 1.000 589 S CA 1.271 59.382 58.200 -0.149 0.000 0.964 589 S CB -0.785 62.328 63.200 -0.146 0.000 0.763 589 S HN 0.682 8.992 8.310 -0.000 0.000 0.512 590 E N 0.430 120.583 120.200 -0.078 0.000 2.481 590 E HA 0.207 4.556 4.350 -0.002 0.000 0.195 590 E C 1.439 178.015 176.600 -0.040 0.000 1.047 590 E CA 0.361 56.735 56.400 -0.043 0.000 0.867 590 E CB -0.049 29.640 29.700 -0.018 0.000 0.858 590 E HN 0.570 8.930 8.360 -0.000 0.000 0.513 591 L N 0.231 121.416 121.223 -0.062 0.000 2.577 591 L HA 0.298 4.637 4.340 -0.002 0.000 0.225 591 L C 0.995 177.825 176.870 -0.066 0.000 1.053 591 L CA 0.070 54.876 54.840 -0.057 0.000 0.866 591 L CB 0.341 42.362 42.059 -0.063 0.000 1.132 591 L HN 0.069 8.299 8.230 -0.000 0.000 0.486 592 I N -4.552 115.949 120.570 -0.115 0.000 3.002 592 I HA 0.442 4.611 4.170 -0.002 0.000 0.310 592 I C -0.781 175.256 176.117 -0.135 0.000 1.087 592 I CA -0.880 60.339 61.300 -0.135 0.000 1.017 592 I CB 1.755 39.558 38.000 -0.329 0.000 1.226 592 I HN -0.166 8.044 8.210 -0.000 0.000 0.443 593 N N 3.914 122.587 118.700 -0.045 0.000 2.555 593 N HA 0.405 5.144 4.740 -0.002 0.000 0.244 593 N C -1.046 174.442 175.510 -0.037 0.000 1.114 593 N CA -0.001 53.051 53.050 0.002 0.000 0.963 593 N CB 0.583 39.129 38.487 0.098 0.000 1.276 593 N HN 0.481 8.861 8.380 -0.000 0.000 0.510 594 L N 0.849 122.003 121.223 -0.116 0.000 2.307 594 L HA 0.435 4.774 4.340 -0.002 0.000 0.282 594 L C 1.450 178.293 176.870 -0.045 0.000 1.051 594 L CA -0.865 53.903 54.840 -0.121 0.000 0.804 594 L CB 1.283 43.230 42.059 -0.188 0.000 1.197 594 L HN 0.333 8.563 8.230 -0.000 0.000 0.431 595 G N 0.674 109.469 108.800 -0.009 0.000 2.664 595 G HA2 -0.075 3.884 3.960 -0.002 0.000 0.242 595 G HA3 -0.075 3.884 3.960 -0.002 0.000 0.242 595 G C 0.525 175.408 174.900 -0.028 0.000 1.225 595 G CA -0.151 44.945 45.100 -0.005 0.000 0.849 595 G HN 0.870 9.160 8.290 -0.000 0.000 0.581 596 D N -0.676 119.710 120.400 -0.022 0.000 2.182 596 D HA -0.118 4.521 4.640 -0.002 0.000 0.201 596 D C 1.886 178.165 176.300 -0.035 0.000 0.986 596 D CA 1.254 55.236 54.000 -0.029 0.000 0.847 596 D CB 0.264 41.052 40.800 -0.020 0.000 0.942 596 D HN 0.258 8.628 8.370 -0.000 0.000 0.467 597 Q N 0.043 119.826 119.800 -0.028 0.000 2.188 597 Q HA 0.182 4.521 4.340 -0.002 0.000 0.212 597 Q C -0.394 175.584 176.000 -0.036 0.000 0.846 597 Q CA -0.027 55.757 55.803 -0.032 0.000 0.989 597 Q CB 0.787 29.512 28.738 -0.022 0.000 1.114 597 Q HN 0.483 8.753 8.270 -0.000 0.000 0.488 598 E N 1.884 122.061 120.200 -0.040 0.000 2.231 598 E HA 0.228 4.577 4.350 -0.002 0.000 0.277 598 E C -0.665 175.891 176.600 -0.073 0.000 0.999 598 E CA -0.139 56.238 56.400 -0.038 0.000 0.827 598 E CB 0.832 30.523 29.700 -0.014 0.000 1.101 598 E HN 0.152 8.512 8.360 -0.000 0.000 0.393 599 E N 3.630 123.789 120.200 -0.068 0.000 2.390 599 E HA 0.334 4.683 4.350 -0.002 0.000 0.277 599 E C -0.743 175.813 176.600 -0.073 0.000 0.939 599 E CA -0.938 55.405 56.400 -0.094 0.000 0.769 599 E CB 0.915 30.558 29.700 -0.094 0.000 1.251 599 E HN 0.265 8.625 8.360 -0.000 0.000 0.450 600 I N 2.747 123.263 120.570 -0.090 0.000 2.416 600 I HA 0.067 4.236 4.170 -0.002 0.000 0.288 600 I C 1.046 177.142 176.117 -0.036 0.000 1.051 600 I CA -0.147 61.121 61.300 -0.054 0.000 1.375 600 I CB 0.607 38.563 38.000 -0.075 0.000 1.407 600 I HN 0.754 8.964 8.210 -0.000 0.000 0.516 601 L N 3.755 124.975 121.223 -0.005 0.000 2.425 601 L HA 0.131 4.470 4.340 -0.002 0.000 0.215 601 L C 0.877 177.757 176.870 0.017 0.000 1.065 601 L CA 0.712 55.553 54.840 0.002 0.000 0.842 601 L CB 0.200 42.282 42.059 0.039 0.000 1.033 601 L HN 0.638 8.868 8.230 -0.000 0.000 0.474 602 T N -0.217 114.350 114.554 0.023 0.000 2.894 602 T HA 0.629 4.978 4.350 -0.002 0.000 0.309 602 T C -1.437 173.276 174.700 0.022 0.000 1.208 602 T CA -0.332 61.779 62.100 0.018 0.000 1.016 602 T CB 1.868 70.745 68.868 0.015 0.000 1.192 602 T HN -0.096 8.144 8.240 -0.000 0.000 0.491 603 I N 2.726 123.308 120.570 0.020 0.000 2.582 603 I HA 0.607 4.776 4.170 -0.002 0.000 0.292 603 I C -0.952 175.190 176.117 0.041 0.000 1.066 603 I CA -1.011 60.312 61.300 0.038 0.000 1.053 603 I CB 2.386 40.401 38.000 0.024 0.000 1.241 603 I HN 0.376 8.586 8.210 -0.000 0.000 0.421 604 K N 5.534 125.985 120.400 0.084 0.000 2.427 604 K HA 0.418 4.737 4.320 -0.002 0.000 0.252 604 K C -1.098 175.597 176.600 0.158 0.000 0.931 604 K CA -0.672 55.664 56.287 0.082 0.000 0.793 604 K CB 1.210 33.729 32.500 0.033 0.000 1.211 604 K HN 0.611 8.861 8.250 -0.000 0.000 0.426 605 N N 1.472 120.241 118.700 0.115 0.000 2.524 605 N HA 0.258 4.997 4.740 -0.002 0.000 0.283 605 N C -1.121 174.501 175.510 0.188 0.000 1.142 605 N CA -0.485 52.650 53.050 0.141 0.000 0.984 605 N CB 1.732 40.265 38.487 0.076 0.000 1.155 605 N HN 0.349 8.729 8.380 -0.000 0.000 0.467 606 S N 0.052 115.905 115.700 0.256 0.000 2.557 606 S HA 0.201 4.670 4.470 -0.002 0.000 0.291 606 S C 0.843 175.606 174.600 0.271 0.000 1.116 606 S CA -0.875 57.482 58.200 0.262 0.000 0.992 606 S CB 1.428 64.855 63.200 0.379 0.000 1.028 606 S HN 0.730 9.040 8.310 -0.000 0.000 0.484 607 K N 2.433 122.969 120.400 0.226 0.000 2.063 607 K HA -0.068 4.251 4.320 -0.002 0.000 0.208 607 K C 0.131 176.914 176.600 0.305 0.000 1.048 607 K CA 1.655 58.079 56.287 0.229 0.000 0.928 607 K CB 0.084 32.701 32.500 0.194 0.000 0.713 607 K HN 0.649 8.899 8.250 -0.000 0.000 0.442 608 D N -1.693 118.872 120.400 0.274 0.000 2.643 608 D HA 0.261 4.900 4.640 -0.002 0.000 0.283 608 D C -1.636 174.669 176.300 0.008 0.000 1.242 608 D CA -0.591 53.547 54.000 0.230 0.000 0.863 608 D CB 1.360 42.267 40.800 0.179 0.000 1.382 608 D HN -0.001 8.369 8.370 -0.000 0.000 0.444 609 L N 2.004 123.114 121.223 -0.189 0.000 2.283 609 L HA 0.439 4.779 4.340 -0.002 0.000 0.281 609 L C 0.163 176.977 176.870 -0.093 0.000 1.033 609 L CA -0.347 54.380 54.840 -0.189 0.000 0.848 609 L CB 1.013 42.858 42.059 -0.357 0.000 1.226 609 L HN 0.381 8.611 8.230 -0.000 0.000 0.429 610 T N -3.428 111.086 114.554 -0.068 0.000 2.901 610 T HA 0.311 4.660 4.350 -0.002 0.000 0.293 610 T C 0.470 175.106 174.700 -0.107 0.000 1.084 610 T CA -0.816 61.254 62.100 -0.050 0.000 1.008 610 T CB 2.223 71.101 68.868 0.017 0.000 1.170 610 T HN 0.235 8.475 8.240 -0.000 0.000 0.509 611 D N 0.943 121.293 120.400 -0.084 0.000 2.123 611 D HA -0.122 4.517 4.640 -0.002 0.000 0.196 611 D C 1.629 177.804 176.300 -0.210 0.000 0.992 611 D CA 1.726 55.654 54.000 -0.118 0.000 0.833 611 D CB -0.097 40.672 40.800 -0.051 0.000 0.954 611 D HN 0.862 9.232 8.370 -0.000 0.000 0.455 612 D N -0.184 120.146 120.400 -0.118 0.000 2.328 612 D HA 0.088 4.727 4.640 -0.002 0.000 0.226 612 D C -0.030 176.113 176.300 -0.262 0.000 1.066 612 D CA -0.097 53.854 54.000 -0.081 0.000 0.861 612 D CB 0.075 40.960 40.800 0.141 0.000 0.912 612 D HN -0.012 8.358 8.370 -0.000 0.000 0.521 613 A N 0.293 122.816 122.820 -0.495 0.000 2.304 613 A HA 0.570 4.889 4.320 -0.002 0.000 0.323 613 A C -1.472 175.676 177.584 -0.727 0.000 1.195 613 A CA -0.675 50.961 52.037 -0.669 0.000 0.826 613 A CB 0.669 19.360 19.000 -0.515 0.000 1.184 613 A HN 0.154 8.304 8.150 -0.000 0.000 0.496 614 Y N 1.017 121.156 120.300 -0.269 0.000 2.446 614 Y HA 0.532 5.081 4.550 -0.002 0.000 0.345 614 Y C -0.146 175.645 175.900 -0.182 0.000 0.984 614 Y CA -0.866 57.143 58.100 -0.151 0.000 1.058 614 Y CB 1.972 40.361 38.460 -0.118 0.000 1.220 614 Y HN 0.629 8.909 8.280 -0.000 0.000 0.455 615 L N 4.270 125.510 121.223 0.029 0.000 2.276 615 L HA 0.503 4.842 4.340 -0.002 0.000 0.286 615 L C -1.324 175.584 176.870 0.063 0.000 1.061 615 L CA -0.147 54.631 54.840 -0.103 0.000 0.807 615 L CB 0.256 42.153 42.059 -0.271 0.000 1.177 615 L HN 0.572 8.802 8.230 -0.000 0.000 0.429 616 L N 6.401 127.610 121.223 -0.022 0.000 2.295 616 L HA 0.514 4.853 4.340 -0.002 0.000 0.285 616 L C -0.712 176.158 176.870 -0.001 0.000 1.035 616 L CA -0.527 54.313 54.840 -0.000 0.000 0.806 616 L CB 1.510 43.543 42.059 -0.044 0.000 1.214 616 L HN 0.578 8.808 8.230 -0.000 0.000 0.426 617 L N 2.447 123.705 121.223 0.059 0.000 2.362 617 L HA 0.630 4.969 4.340 -0.002 0.000 0.271 617 L C 0.004 176.849 176.870 -0.042 0.000 1.002 617 L CA -0.576 54.273 54.840 0.016 0.000 0.818 617 L CB 2.352 44.478 42.059 0.110 0.000 1.298 617 L HN 0.592 8.822 8.230 -0.000 0.000 0.420 618 T N -2.015 112.435 114.554 -0.173 0.000 2.912 618 T HA 0.686 5.035 4.350 -0.002 0.000 0.288 618 T C -0.173 174.374 174.700 -0.254 0.000 1.030 618 T CA -0.681 61.228 62.100 -0.317 0.000 1.020 618 T CB 2.002 70.308 68.868 -0.936 0.000 1.056 618 T HN 0.662 8.902 8.240 -0.000 0.000 0.480 619 T N -1.365 113.087 114.554 -0.170 0.000 2.932 619 T HA 0.680 5.029 4.350 -0.002 0.000 0.289 619 T C 1.607 176.182 174.700 -0.208 0.000 1.039 619 T CA -0.410 61.576 62.100 -0.190 0.000 1.024 619 T CB 1.310 70.121 68.868 -0.096 0.000 1.090 619 T HN 0.890 9.130 8.240 -0.000 0.000 0.496 620 A N 1.540 124.083 122.820 -0.462 0.000 1.940 620 A HA -0.026 4.293 4.320 -0.002 0.000 0.219 620 A C 2.464 179.971 177.584 -0.129 0.000 1.176 620 A CA 2.176 53.950 52.037 -0.438 0.000 0.631 620 A CB -1.349 17.063 19.000 -0.980 0.000 0.814 620 A HN 1.335 9.485 8.150 -0.000 0.000 0.446 621 S N -2.130 113.511 115.700 -0.099 0.000 2.561 621 S HA 0.361 4.830 4.470 -0.002 0.000 0.225 621 S C 1.316 175.936 174.600 0.034 0.000 0.977 621 S CA 1.154 59.342 58.200 -0.020 0.000 0.926 621 S CB -0.146 63.041 63.200 -0.022 0.000 0.769 621 S HN 1.921 10.231 8.310 -0.000 0.000 0.533 622 G N 0.464 109.346 108.800 0.137 0.000 2.175 622 G HA2 -0.144 3.815 3.960 -0.002 0.000 0.182 622 G HA3 -0.144 3.815 3.960 -0.002 0.000 0.182 622 G C -0.078 174.955 174.900 0.220 0.000 1.003 622 G CA -0.370 44.835 45.100 0.175 0.000 0.666 622 G HN 0.421 8.711 8.290 -0.000 0.000 0.506 623 K N 0.129 120.649 120.400 0.200 0.000 2.202 623 K HA 0.705 5.024 4.320 -0.002 0.000 0.264 623 K C -0.144 176.594 176.600 0.230 0.000 1.010 623 K CA -0.296 56.081 56.287 0.149 0.000 0.940 623 K CB 2.005 34.549 32.500 0.073 0.000 0.983 623 K HN 0.411 8.661 8.250 -0.000 0.000 0.475 624 I N -0.332 120.341 120.570 0.171 0.000 2.894 624 I HA 0.518 4.687 4.170 -0.002 0.000 0.302 624 I C -1.648 174.502 176.117 0.054 0.000 1.188 624 I CA -0.546 60.851 61.300 0.161 0.000 1.014 624 I CB 2.097 40.267 38.000 0.284 0.000 1.242 624 I HN 0.703 8.913 8.210 -0.000 0.000 0.430 625 A N 5.872 128.692 122.820 -0.000 0.000 2.572 625 A HA 0.810 5.129 4.320 -0.002 0.000 0.295 625 A C -1.431 175.964 177.584 -0.314 0.000 1.072 625 A CA -0.677 51.247 52.037 -0.188 0.000 0.691 625 A CB 1.914 20.820 19.000 -0.158 0.000 1.291 625 A HN 0.728 8.878 8.150 -0.000 0.000 0.404 626 R N 1.070 121.233 120.500 -0.563 0.000 2.532 626 R HA 0.719 5.058 4.340 -0.002 0.000 0.297 626 R C -2.031 173.931 176.300 -0.563 0.000 0.984 626 R CA -0.344 55.520 56.100 -0.393 0.000 0.884 626 R CB 0.945 31.100 30.300 -0.241 0.000 1.182 626 R HN 0.589 8.859 8.270 -0.000 0.000 0.442 627 F N 1.179 121.199 119.950 0.116 0.000 2.563 627 F HA 0.359 4.885 4.527 -0.002 0.000 0.316 627 F C 0.199 176.118 175.800 0.198 0.000 1.076 627 F CA -0.986 57.109 58.000 0.159 0.000 0.921 627 F CB 1.886 41.046 39.000 0.267 0.000 1.209 627 F HN 0.326 8.626 8.300 -0.000 0.000 0.462 628 E N 0.673 121.046 120.200 0.288 0.000 2.366 628 E HA 0.052 4.401 4.350 -0.002 0.000 0.266 628 E C 0.760 177.370 176.600 0.016 0.000 1.015 628 E CA 0.123 56.560 56.400 0.061 0.000 0.906 628 E CB 0.947 30.635 29.700 -0.019 0.000 0.979 628 E HN 0.776 9.136 8.360 -0.000 0.000 0.443 629 S N 1.747 117.428 115.700 -0.031 0.000 2.419 629 S HA -0.207 4.262 4.470 -0.002 0.000 0.235 629 S C 1.893 176.557 174.600 0.107 0.000 1.019 629 S CA 1.638 59.915 58.200 0.129 0.000 0.982 629 S CB -0.543 62.685 63.200 0.047 0.000 0.789 629 S HN 0.676 8.986 8.310 -0.000 0.000 0.490 630 T N -0.798 113.716 114.554 -0.067 0.000 3.007 630 T HA -0.050 4.299 4.350 -0.002 0.000 0.270 630 T C 1.089 175.671 174.700 -0.197 0.000 1.107 630 T CA 1.163 63.200 62.100 -0.106 0.000 1.118 630 T CB -0.656 68.146 68.868 -0.109 0.000 0.889 630 T HN 0.249 8.489 8.240 -0.000 0.000 0.506 631 D N 1.119 121.279 120.400 -0.400 0.000 2.265 631 D HA -0.027 4.612 4.640 -0.002 0.000 0.208 631 D C 0.578 176.432 176.300 -0.742 0.000 0.977 631 D CA 0.858 54.433 54.000 -0.708 0.000 0.871 631 D CB -0.295 39.784 40.800 -1.201 0.000 0.925 631 D HN 0.609 8.979 8.370 -0.000 0.000 0.485 632 F N -0.517 119.428 119.950 -0.008 0.000 2.654 632 F HA 0.324 4.850 4.527 -0.002 0.000 0.303 632 F C 1.791 177.546 175.800 -0.075 0.000 1.099 632 F CA -0.569 57.413 58.000 -0.031 0.000 1.270 632 F CB 0.080 39.099 39.000 0.032 0.000 1.024 632 F HN -0.277 8.023 8.300 -0.000 0.000 0.548 633 K N 1.316 121.717 120.400 0.001 0.000 2.063 633 K HA -0.044 4.275 4.320 -0.002 0.000 0.208 633 K C 1.470 178.066 176.600 -0.006 0.000 1.048 633 K CA 1.026 57.292 56.287 -0.035 0.000 0.928 633 K CB -0.114 32.352 32.500 -0.056 0.000 0.713 633 K HN 0.297 8.547 8.250 -0.000 0.000 0.442 640 V N 1.117 120.851 119.914 -0.299 0.000 2.994 640 V HA 0.569 4.688 4.120 -0.002 0.000 0.318 640 V C 0.426 176.429 176.094 -0.152 0.000 1.085 640 V CA -1.230 60.978 62.300 -0.154 0.000 0.998 640 V CB 1.804 33.587 31.823 -0.066 0.000 1.063 640 V HN 0.226 8.416 8.190 -0.000 0.000 0.447 641 I N 4.211 124.733 120.570 -0.080 0.000 2.742 641 I HA -0.010 4.159 4.170 -0.002 0.000 0.287 641 I C 1.021 177.103 176.117 -0.058 0.000 1.186 641 I CA 0.757 62.023 61.300 -0.057 0.000 1.417 641 I CB 1.118 39.110 38.000 -0.013 0.000 1.377 641 I HN 0.480 8.690 8.210 -0.000 0.000 0.556 642 V N 8.436 128.287 119.914 -0.105 0.000 3.263 642 V HA 0.252 4.371 4.120 -0.002 0.000 0.248 642 V C 0.424 176.503 176.094 -0.025 0.000 1.145 642 V CA 0.633 62.834 62.300 -0.165 0.000 1.107 642 V CB 0.646 32.209 31.823 -0.434 0.000 0.797 642 V HN 0.623 8.813 8.190 -0.000 0.000 0.467 643 I N 0.717 121.298 120.570 0.018 0.000 2.569 643 I HA 0.408 4.577 4.170 -0.002 0.000 0.290 643 I C -0.504 175.652 176.117 0.066 0.000 1.088 643 I CA -0.757 60.602 61.300 0.098 0.000 1.047 643 I CB 1.728 39.800 38.000 0.120 0.000 1.237 643 I HN -0.000 8.210 8.210 -0.000 0.000 0.421 644 K N 8.006 128.450 120.400 0.073 0.000 2.284 644 K HA 0.524 4.843 4.320 -0.002 0.000 0.287 644 K C -1.645 174.986 176.600 0.051 0.000 1.081 644 K CA -0.363 55.957 56.287 0.054 0.000 0.910 644 K CB 0.556 33.086 32.500 0.050 0.000 1.088 644 K HN 0.610 8.860 8.250 -0.000 0.000 0.478 645 L N 3.895 125.147 121.223 0.048 0.000 2.322 645 L HA 0.388 4.727 4.340 -0.002 0.000 0.279 645 L C -0.183 176.713 176.870 0.043 0.000 1.036 645 L CA -0.890 53.979 54.840 0.048 0.000 0.807 645 L CB 1.765 43.861 42.059 0.061 0.000 1.226 645 L HN 0.700 8.930 8.230 -0.000 0.000 0.433 646 N N 0.287 119.010 118.700 0.038 0.000 2.472 646 N HA 0.202 4.941 4.740 -0.002 0.000 0.289 646 N C -1.094 174.440 175.510 0.041 0.000 1.156 646 N CA -0.885 52.186 53.050 0.034 0.000 0.940 646 N CB 0.864 39.367 38.487 0.026 0.000 1.200 646 N HN 0.541 8.921 8.380 -0.000 0.000 0.511 647 D N 1.268 121.691 120.400 0.038 0.000 3.139 647 D HA -0.052 4.587 4.640 -0.002 0.000 0.212 647 D C 0.808 177.145 176.300 0.062 0.000 1.084 647 D CA 2.093 56.120 54.000 0.045 0.000 0.777 647 D CB 0.172 40.993 40.800 0.034 0.000 1.156 647 D HN 0.688 9.058 8.370 -0.000 0.000 0.537 648 K N 1.369 121.818 120.400 0.082 0.000 3.547 648 K HA -0.263 4.056 4.320 -0.002 0.000 0.309 648 K C 0.403 177.128 176.600 0.208 0.000 1.324 648 K CA 1.529 57.890 56.287 0.123 0.000 0.988 648 K CB -2.379 30.181 32.500 0.101 0.000 1.261 648 K HN 0.703 8.953 8.250 -0.000 0.000 0.444 649 D N -0.285 120.201 120.400 0.143 0.000 2.357 649 D HA 0.724 5.363 4.640 -0.002 0.000 0.242 649 D C 0.297 176.726 176.300 0.215 0.000 1.153 649 D CA 0.564 54.623 54.000 0.099 0.000 0.918 649 D CB 0.166 40.977 40.800 0.018 0.000 1.181 649 D HN 0.908 9.278 8.370 -0.000 0.000 0.435 650 F N -0.893 119.066 119.950 0.015 0.000 2.693 650 F HA 0.438 4.964 4.527 -0.002 0.000 0.309 650 F C -1.327 174.470 175.800 -0.005 0.000 1.129 650 F CA -1.337 56.666 58.000 0.005 0.000 0.948 650 F CB 0.500 39.499 39.000 -0.001 0.000 1.315 650 F HN 0.009 8.309 8.300 -0.000 0.000 0.447 651 V N 1.959 121.952 119.914 0.132 0.000 2.521 651 V HA 0.209 4.328 4.120 -0.002 0.000 0.286 651 V C 0.868 176.993 176.094 0.052 0.000 1.034 651 V CA 0.812 63.121 62.300 0.016 0.000 1.045 651 V CB 0.963 32.806 31.823 0.033 0.000 0.974 651 V HN 1.082 9.272 8.190 -0.000 0.000 0.480 652 T N -0.182 114.305 114.554 -0.112 0.000 3.000 652 T HA 0.220 4.569 4.350 -0.002 0.000 0.248 652 T C 0.573 175.218 174.700 -0.091 0.000 1.034 652 T CA 0.458 62.513 62.100 -0.075 0.000 1.060 652 T CB 0.331 69.076 68.868 -0.206 0.000 0.983 652 T HN 0.813 9.053 8.240 -0.000 0.000 0.482 653 S N -0.081 115.528 115.700 -0.151 0.000 2.565 653 S HA 0.781 5.250 4.470 -0.002 0.000 0.269 653 S C -1.638 172.889 174.600 -0.122 0.000 1.153 653 S CA -0.607 57.513 58.200 -0.132 0.000 0.835 653 S CB 1.488 64.581 63.200 -0.179 0.000 1.122 653 S HN 0.866 9.176 8.310 -0.000 0.000 0.462 654 A N 0.664 123.429 122.820 -0.092 0.000 2.435 654 A HA 0.928 5.247 4.320 -0.002 0.000 0.304 654 A C -0.893 176.636 177.584 -0.092 0.000 1.064 654 A CA -0.516 51.463 52.037 -0.097 0.000 0.727 654 A CB 1.863 20.809 19.000 -0.091 0.000 1.284 654 A HN 1.010 9.160 8.150 -0.000 0.000 0.415 655 E N 0.908 121.043 120.200 -0.107 0.000 2.356 655 E HA 0.600 4.949 4.350 -0.002 0.000 0.275 655 E C -1.694 174.832 176.600 -0.123 0.000 0.904 655 E CA -0.522 55.824 56.400 -0.091 0.000 0.757 655 E CB 1.312 30.968 29.700 -0.074 0.000 1.232 655 E HN 0.414 8.774 8.360 -0.000 0.000 0.442 656 I N 4.381 124.885 120.570 -0.111 0.000 2.339 656 I HA 0.404 4.573 4.170 -0.002 0.000 0.290 656 I C -0.120 175.892 176.117 -0.175 0.000 0.994 656 I CA -0.834 60.363 61.300 -0.172 0.000 1.191 656 I CB 0.716 38.621 38.000 -0.157 0.000 1.343 656 I HN 0.490 8.700 8.210 -0.000 0.000 0.458 657 V N 3.477 123.265 119.914 -0.210 0.000 3.001 657 V HA 0.680 4.799 4.120 -0.002 0.000 0.314 657 V C -0.672 175.261 176.094 -0.268 0.000 1.099 657 V CA -0.796 61.423 62.300 -0.134 0.000 0.989 657 V CB 2.187 33.992 31.823 -0.031 0.000 1.040 657 V HN 0.416 8.606 8.190 -0.000 0.000 0.434 658 F N 0.103 120.123 119.950 0.118 0.000 2.535 658 F HA 0.776 5.302 4.527 -0.002 0.000 0.367 658 F C 1.162 177.071 175.800 0.182 0.000 1.096 658 F CA -0.335 57.763 58.000 0.163 0.000 1.088 658 F CB 0.680 39.726 39.000 0.077 0.000 1.387 658 F HN 0.802 9.102 8.300 -0.000 0.000 0.494 659 K N 0.126 120.767 120.400 0.403 0.000 2.491 659 K HA 0.135 4.454 4.320 -0.002 0.000 0.279 659 K C -0.019 176.647 176.600 0.111 0.000 1.026 659 K CA 0.543 56.959 56.287 0.215 0.000 1.070 659 K CB -1.140 31.479 32.500 0.198 0.000 0.887 659 K HN 0.713 8.963 8.250 -0.000 0.000 0.481 660 D N 0.494 120.907 120.400 0.021 0.000 3.068 660 D HA -0.125 4.514 4.640 -0.002 0.000 0.218 660 D C -0.484 175.811 176.300 -0.009 0.000 1.145 660 D CA 1.408 55.406 54.000 -0.004 0.000 0.896 660 D CB -1.214 39.595 40.800 0.014 0.000 1.105 660 D HN 0.890 9.260 8.370 -0.000 0.000 0.423 661 E N 0.617 120.812 120.200 -0.008 0.000 2.289 661 E HA 0.205 4.555 4.350 -0.002 0.000 0.278 661 E C 0.451 176.993 176.600 -0.097 0.000 1.032 661 E CA -0.220 56.172 56.400 -0.014 0.000 0.854 661 E CB 1.097 30.823 29.700 0.044 0.000 1.046 661 E HN 0.075 8.435 8.360 -0.000 0.000 0.409 662 K N 1.660 122.011 120.400 -0.081 0.000 2.350 662 K HA 0.188 4.507 4.320 -0.002 0.000 0.279 662 K C -0.171 176.338 176.600 -0.153 0.000 1.027 662 K CA -0.270 55.943 56.287 -0.124 0.000 0.969 662 K CB 0.809 33.275 32.500 -0.058 0.000 0.954 662 K HN 0.278 8.528 8.250 -0.000 0.000 0.474 663 V N 0.258 120.019 119.914 -0.255 0.000 2.962 663 V HA 0.560 4.679 4.120 -0.002 0.000 0.313 663 V C -0.436 175.548 176.094 -0.184 0.000 1.099 663 V CA -1.199 60.968 62.300 -0.221 0.000 0.971 663 V CB 1.502 33.154 31.823 -0.286 0.000 1.028 663 V HN 0.551 8.741 8.190 -0.000 0.000 0.430 664 I N 2.036 122.538 120.570 -0.113 0.000 2.353 664 I HA 0.489 4.658 4.170 -0.002 0.000 0.293 664 I C -0.195 175.866 176.117 -0.094 0.000 0.992 664 I CA 0.009 61.244 61.300 -0.107 0.000 1.268 664 I CB 1.295 39.273 38.000 -0.037 0.000 1.387 664 I HN 0.644 8.854 8.210 -0.000 0.000 0.478 665 C N 6.749 125.910 119.300 -0.231 0.000 2.329 665 C HA 0.679 5.138 4.460 -0.002 0.000 0.329 665 C C -0.274 174.711 174.990 -0.008 0.000 1.275 665 C CA -0.509 58.469 59.018 -0.066 0.000 1.726 665 C CB 0.801 28.252 27.740 -0.482 0.000 2.291 665 C HN 0.534 8.764 8.230 -0.000 0.000 0.514 666 L N 4.058 125.403 121.223 0.204 0.000 2.385 666 L HA 0.717 5.056 4.340 -0.002 0.000 0.273 666 L C 0.160 177.160 176.870 0.216 0.000 0.990 666 L CA 0.291 55.220 54.840 0.148 0.000 0.821 666 L CB 1.867 43.984 42.059 0.098 0.000 1.279 666 L HN 0.788 9.018 8.230 -0.000 0.000 0.412 667 S N 3.297 119.082 115.700 0.141 0.000 2.690 667 S HA 0.416 4.885 4.470 -0.002 0.000 0.291 667 S C 0.888 175.544 174.600 0.093 0.000 1.138 667 S CA -0.202 58.078 58.200 0.133 0.000 1.013 667 S CB 1.421 64.670 63.200 0.082 0.000 1.053 667 S HN 0.806 9.116 8.310 -0.000 0.000 0.539 668 K N 1.057 121.507 120.400 0.083 0.000 2.097 668 K HA -0.018 4.301 4.320 -0.002 0.000 0.206 668 K C 1.337 177.969 176.600 0.052 0.000 1.049 668 K CA 1.219 57.540 56.287 0.056 0.000 0.933 668 K CB -0.221 32.315 32.500 0.060 0.000 0.717 668 K HN 0.647 8.897 8.250 -0.000 0.000 0.442 669 K N -0.665 119.774 120.400 0.066 0.000 2.505 669 K HA 0.038 4.358 4.320 -0.002 0.000 0.192 669 K C 0.573 177.238 176.600 0.108 0.000 1.025 669 K CA 0.555 56.889 56.287 0.078 0.000 1.086 669 K CB 0.414 32.953 32.500 0.064 0.000 0.840 669 K HN 0.503 8.753 8.250 -0.000 0.000 0.514 670 G N 1.137 110.001 108.800 0.107 0.000 2.141 670 G HA2 -0.233 3.726 3.960 -0.002 0.000 0.242 670 G HA3 -0.233 3.726 3.960 -0.002 0.000 0.242 670 G C -0.038 174.948 174.900 0.144 0.000 0.982 670 G CA -0.058 45.131 45.100 0.150 0.000 0.662 670 G HN 0.263 8.553 8.290 -0.000 0.000 0.527 671 S N 0.191 115.958 115.700 0.112 0.000 2.565 671 S HA 0.749 5.218 4.470 -0.002 0.000 0.276 671 S C 0.475 175.149 174.600 0.123 0.000 1.326 671 S CA 0.505 58.771 58.200 0.110 0.000 1.045 671 S CB 1.719 64.958 63.200 0.066 0.000 0.918 671 S HN 1.757 10.067 8.310 -0.000 0.000 0.505 672 A N 2.104 125.017 122.820 0.154 0.000 2.572 672 A HA 0.883 5.202 4.320 -0.002 0.000 0.295 672 A C -1.074 176.662 177.584 0.253 0.000 1.072 672 A CA -0.881 51.248 52.037 0.152 0.000 0.691 672 A CB 1.054 20.124 19.000 0.117 0.000 1.291 672 A HN 0.933 9.083 8.150 -0.000 0.000 0.404 673 F N -0.825 119.141 119.950 0.027 0.000 2.741 673 F HA 0.853 5.380 4.527 -0.002 0.000 0.313 673 F C -1.602 174.260 175.800 0.104 0.000 1.153 673 F CA -1.291 56.733 58.000 0.039 0.000 0.931 673 F CB 0.835 39.806 39.000 -0.049 0.000 1.335 673 F HN 0.435 8.735 8.300 -0.000 0.000 0.460 674 I N 2.489 123.164 120.570 0.175 0.000 2.441 674 I HA 0.645 4.814 4.170 -0.002 0.000 0.295 674 I C -0.907 175.410 176.117 0.334 0.000 0.994 674 I CA -0.846 60.508 61.300 0.089 0.000 1.144 674 I CB 1.860 39.907 38.000 0.078 0.000 1.314 674 I HN 0.755 8.965 8.210 -0.000 0.000 0.445 675 F N 4.032 123.986 119.950 0.007 0.000 2.726 675 F HA 0.542 5.068 4.527 -0.002 0.000 0.324 675 F C -1.066 174.749 175.800 0.025 0.000 1.140 675 F CA -1.119 56.931 58.000 0.084 0.000 0.964 675 F CB 1.281 40.399 39.000 0.196 0.000 1.399 675 F HN 0.228 8.528 8.300 -0.000 0.000 0.491 676 N N 1.033 119.683 118.700 -0.083 0.000 2.434 676 N HA 0.111 4.850 4.740 -0.002 0.000 0.272 676 N C 0.852 176.114 175.510 -0.414 0.000 1.040 676 N CA 0.582 53.497 53.050 -0.225 0.000 0.956 676 N CB 1.866 40.331 38.487 -0.036 0.000 1.108 676 N HN 0.851 9.231 8.380 -0.000 0.000 0.481 677 S N 3.928 119.341 115.700 -0.478 0.000 2.440 677 S HA -0.217 4.252 4.470 -0.002 0.000 0.238 677 S C 1.697 176.178 174.600 -0.199 0.000 1.010 677 S CA 0.826 58.789 58.200 -0.396 0.000 0.972 677 S CB -0.217 62.806 63.200 -0.297 0.000 0.774 677 S HN 0.808 9.118 8.310 -0.000 0.000 0.501 678 R N 1.443 121.854 120.500 -0.149 0.000 2.159 678 R HA -0.077 4.263 4.340 -0.002 0.000 0.237 678 R C 0.665 176.939 176.300 -0.042 0.000 1.131 678 R CA 1.702 57.733 56.100 -0.116 0.000 0.982 678 R CB -0.739 29.515 30.300 -0.076 0.000 0.868 678 R HN 0.278 8.548 8.270 -0.000 0.000 0.453 679 D N 0.932 121.367 120.400 0.058 0.000 2.363 679 D HA 0.037 4.676 4.640 -0.002 0.000 0.226 679 D C -0.097 176.293 176.300 0.150 0.000 1.020 679 D CA 0.428 54.511 54.000 0.138 0.000 0.892 679 D CB 0.367 41.323 40.800 0.260 0.000 0.900 679 D HN 0.040 8.410 8.370 -0.000 0.000 0.531 680 V N 3.254 123.241 119.914 0.122 0.000 2.353 680 V HA 0.109 4.228 4.120 -0.002 0.000 0.264 680 V C 0.749 176.807 176.094 -0.059 0.000 1.049 680 V CA -0.831 61.502 62.300 0.054 0.000 0.896 680 V CB 0.451 32.307 31.823 0.056 0.000 1.025 680 V HN 0.117 8.307 8.190 -0.000 0.000 0.475 681 R N 3.984 124.448 120.500 -0.059 0.000 2.698 681 R HA 0.272 4.611 4.340 -0.002 0.000 0.266 681 R C -0.252 175.967 176.300 -0.136 0.000 1.026 681 R CA -0.726 55.322 56.100 -0.086 0.000 1.102 681 R CB 0.371 30.635 30.300 -0.061 0.000 0.978 681 R HN 0.472 8.742 8.270 -0.000 0.000 0.436 682 L N 2.765 123.907 121.223 -0.135 0.000 2.499 682 L HA 0.090 4.429 4.340 -0.002 0.000 0.273 682 L C -0.269 176.521 176.870 -0.134 0.000 1.195 682 L CA 1.080 55.835 54.840 -0.141 0.000 0.882 682 L CB 0.881 42.896 42.059 -0.073 0.000 1.133 682 L HN 1.014 9.244 8.230 -0.000 0.000 0.483 683 T N 1.288 115.715 114.554 -0.212 0.000 2.930 683 T HA 0.471 4.820 4.350 -0.002 0.000 0.290 683 T C -0.267 174.446 174.700 0.022 0.000 1.052 683 T CA -1.006 61.013 62.100 -0.135 0.000 1.017 683 T CB 1.246 69.997 68.868 -0.195 0.000 1.137 683 T HN 0.573 8.813 8.240 -0.000 0.000 0.511 684 N N 0.739 119.502 118.700 0.104 0.000 2.515 684 N HA 0.243 4.983 4.740 -0.002 0.000 0.279 684 N C 0.339 176.060 175.510 0.352 0.000 1.164 684 N CA -0.982 52.183 53.050 0.192 0.000 0.982 684 N CB 0.787 39.331 38.487 0.094 0.000 1.170 684 N HN 0.816 9.196 8.380 -0.000 0.000 0.474 685 R N 1.454 122.155 120.500 0.335 0.000 2.678 685 R HA 0.175 4.514 4.340 -0.002 0.000 0.264 685 R C 0.621 177.032 176.300 0.185 0.000 0.995 685 R CA 0.768 57.020 56.100 0.254 0.000 1.098 685 R CB -0.414 29.957 30.300 0.118 0.000 0.949 685 R HN 0.756 9.026 8.270 -0.000 0.000 0.422 686 G N 0.840 109.736 108.800 0.161 0.000 2.176 686 G HA2 -0.304 3.655 3.960 -0.002 0.000 0.232 686 G HA3 -0.304 3.655 3.960 -0.002 0.000 0.232 686 G C 0.277 175.247 174.900 0.117 0.000 0.986 686 G CA 0.317 45.481 45.100 0.108 0.000 0.643 686 G HN 0.965 9.255 8.290 -0.000 0.000 0.522 687 T N -0.063 114.593 114.554 0.171 0.000 2.856 687 T HA 0.374 4.723 4.350 -0.002 0.000 0.306 687 T C 1.539 176.301 174.700 0.103 0.000 1.062 687 T CA 1.038 63.210 62.100 0.120 0.000 1.083 687 T CB 0.666 69.596 68.868 0.103 0.000 0.984 687 T HN 0.348 8.588 8.240 -0.000 0.000 0.542 688 Q N 1.638 121.475 119.800 0.063 0.000 2.425 688 Q HA 0.281 4.620 4.340 -0.002 0.000 0.204 688 Q C 1.180 177.209 176.000 0.048 0.000 0.933 688 Q CA 0.232 56.066 55.803 0.052 0.000 0.939 688 Q CB 0.091 28.849 28.738 0.033 0.000 1.044 688 Q HN 1.063 9.333 8.270 -0.000 0.000 0.513 689 G N 0.690 109.515 108.800 0.042 0.000 2.796 689 G HA2 -0.210 3.749 3.960 -0.002 0.000 0.571 689 G HA3 -0.210 3.749 3.960 -0.002 0.000 0.571 689 G C -0.343 174.559 174.900 0.003 0.000 1.370 689 G CA -0.401 44.710 45.100 0.019 0.000 0.856 689 G HN 0.447 8.737 8.290 -0.000 0.000 0.538 690 V N -3.061 116.853 119.914 -0.001 0.000 3.103 690 V HA 0.749 4.868 4.120 -0.002 0.000 0.318 690 V C 1.113 177.207 176.094 0.001 0.000 1.114 690 V CA -0.646 61.649 62.300 -0.008 0.000 1.020 690 V CB 1.359 33.169 31.823 -0.022 0.000 1.085 690 V HN 1.567 9.757 8.190 -0.000 0.000 0.446 691 C N 2.413 121.696 119.300 -0.029 0.000 2.633 691 C HA 0.519 4.978 4.460 -0.002 0.000 0.415 691 C C 1.672 176.619 174.990 -0.072 0.000 1.393 691 C CA 0.878 59.865 59.018 -0.051 0.000 1.700 691 C CB -0.548 27.141 27.740 -0.085 0.000 2.541 691 C HN 1.189 9.419 8.230 -0.000 0.000 0.603 692 G N 2.784 111.553 108.800 -0.052 0.000 2.763 692 G HA2 0.242 4.201 3.960 -0.002 0.000 0.205 692 G HA3 0.242 4.201 3.960 -0.002 0.000 0.205 692 G C 0.102 174.869 174.900 -0.222 0.000 1.137 692 G CA 0.066 45.119 45.100 -0.079 0.000 0.839 692 G HN 0.638 8.928 8.290 -0.000 0.000 0.596 693 M N 1.052 120.430 119.600 -0.369 0.000 2.263 693 M HA 0.486 4.965 4.480 -0.002 0.000 0.295 693 M C -1.123 175.022 176.300 -0.258 0.000 1.028 693 M CA -0.703 54.379 55.300 -0.363 0.000 0.921 693 M CB 2.288 34.400 32.600 -0.815 0.000 1.601 693 M HN -0.042 8.248 8.290 -0.000 0.000 0.440 694 K N 4.879 125.147 120.400 -0.220 0.000 2.322 694 K HA 0.497 4.816 4.320 -0.002 0.000 0.283 694 K C -1.737 174.781 176.600 -0.137 0.000 1.042 694 K CA -0.191 55.995 56.287 -0.168 0.000 0.958 694 K CB 0.589 32.980 32.500 -0.181 0.000 0.984 694 K HN 0.756 9.006 8.250 -0.000 0.000 0.473 695 L N 4.765 125.931 121.223 -0.094 0.000 2.346 695 L HA 0.407 4.746 4.340 -0.002 0.000 0.276 695 L C 0.010 176.854 176.870 -0.043 0.000 1.006 695 L CA -0.999 53.804 54.840 -0.061 0.000 0.817 695 L CB 1.847 43.885 42.059 -0.035 0.000 1.272 695 L HN 0.580 8.810 8.230 -0.000 0.000 0.421 696 K N 1.528 121.910 120.400 -0.030 0.000 2.219 696 K HA 0.114 4.433 4.320 -0.002 0.000 0.258 696 K C -0.051 176.546 176.600 -0.006 0.000 1.008 696 K CA -0.537 55.739 56.287 -0.018 0.000 0.928 696 K CB 0.797 33.292 32.500 -0.009 0.000 0.983 696 K HN 0.552 8.802 8.250 -0.000 0.000 0.484 697 E N 0.174 120.372 120.200 -0.003 0.000 2.529 697 E HA -0.098 4.251 4.350 -0.002 0.000 0.259 697 E C 0.607 177.214 176.600 0.013 0.000 0.966 697 E CA 0.940 57.342 56.400 0.004 0.000 0.937 697 E CB -0.010 29.692 29.700 0.004 0.000 0.923 697 E HN 0.762 9.122 8.360 -0.000 0.000 0.468 698 G N 3.679 112.491 108.800 0.019 0.000 2.179 698 G HA2 -0.251 3.708 3.960 -0.002 0.000 0.260 698 G HA3 -0.251 3.708 3.960 -0.002 0.000 0.260 698 G C 0.050 174.970 174.900 0.033 0.000 0.977 698 G CA 0.301 45.417 45.100 0.027 0.000 0.641 698 G HN 0.671 8.961 8.290 -0.000 0.000 0.533 699 D N -0.430 119.987 120.400 0.029 0.000 2.326 699 D HA 0.777 5.416 4.640 -0.002 0.000 0.251 699 D C 0.007 176.332 176.300 0.041 0.000 1.023 699 D CA -0.402 53.620 54.000 0.036 0.000 0.966 699 D CB 1.541 42.358 40.800 0.027 0.000 1.156 699 D HN 0.367 8.737 8.370 -0.000 0.000 0.494 700 L N 1.904 123.163 121.223 0.059 0.000 2.455 700 L HA 0.387 4.726 4.340 -0.002 0.000 0.264 700 L C -1.423 175.529 176.870 0.137 0.000 0.968 700 L CA -0.901 53.981 54.840 0.069 0.000 0.827 700 L CB 1.742 43.839 42.059 0.064 0.000 1.317 700 L HN 0.198 8.428 8.230 -0.000 0.000 0.407 701 F N 5.244 125.158 119.950 -0.060 0.000 2.434 701 F HA 0.284 4.810 4.527 -0.002 0.000 0.358 701 F C 0.675 176.440 175.800 -0.059 0.000 1.136 701 F CA -0.308 57.663 58.000 -0.047 0.000 1.157 701 F CB 1.000 39.967 39.000 -0.056 0.000 1.167 701 F HN 0.343 8.643 8.300 -0.000 0.000 0.539 702 V N 2.570 122.591 119.914 0.179 0.000 2.825 702 V HA 0.311 4.430 4.120 -0.002 0.000 0.246 702 V C 0.335 176.358 176.094 -0.119 0.000 1.068 702 V CA 0.549 62.848 62.300 -0.001 0.000 1.088 702 V CB -0.483 31.364 31.823 0.039 0.000 0.733 702 V HN 0.617 8.807 8.190 -0.000 0.000 0.468 703 K N -0.717 119.611 120.400 -0.121 0.000 2.572 703 K HA 0.613 4.932 4.320 -0.002 0.000 0.263 703 K C -2.044 174.493 176.600 -0.105 0.000 0.932 703 K CA -0.427 55.764 56.287 -0.160 0.000 0.838 703 K CB 3.018 35.487 32.500 -0.052 0.000 1.366 703 K HN 0.007 8.257 8.250 -0.000 0.000 0.425 704 V N 5.778 125.595 119.914 -0.163 0.000 2.581 704 V HA 0.772 4.891 4.120 -0.002 0.000 0.303 704 V C -1.241 174.824 176.094 -0.049 0.000 1.041 704 V CA -0.552 61.728 62.300 -0.033 0.000 0.907 704 V CB 1.263 33.077 31.823 -0.015 0.000 0.994 704 V HN 0.694 8.883 8.190 -0.000 0.000 0.442 705 L N 3.177 124.379 121.223 -0.035 0.000 2.506 705 L HA 0.739 5.078 4.340 -0.002 0.000 0.257 705 L C -0.434 176.414 176.870 -0.038 0.000 0.964 705 L CA -0.652 54.168 54.840 -0.033 0.000 0.836 705 L CB 2.074 44.124 42.059 -0.015 0.000 1.384 705 L HN 0.437 8.667 8.230 -0.000 0.000 0.410 706 S N 0.690 116.376 115.700 -0.024 0.000 2.549 706 S HA 0.236 4.705 4.470 -0.002 0.000 0.279 706 S C 1.100 175.697 174.600 -0.006 0.000 1.321 706 S CA -0.685 57.504 58.200 -0.017 0.000 1.054 706 S CB 1.822 65.035 63.200 0.021 0.000 0.899 706 S HN 0.504 8.814 8.310 -0.000 0.000 0.497 707 V N 3.161 123.066 119.914 -0.016 0.000 2.407 707 V HA -0.079 4.040 4.120 -0.002 0.000 0.245 707 V C 1.407 177.504 176.094 0.006 0.000 1.041 707 V CA 1.156 63.452 62.300 -0.006 0.000 1.040 707 V CB -0.933 30.881 31.823 -0.015 0.000 0.671 707 V HN 0.912 9.102 8.190 -0.000 0.000 0.455 708 K N -0.283 120.123 120.400 0.010 0.000 2.020 708 K HA -0.341 3.978 4.320 -0.002 0.000 0.142 708 K C 0.831 177.433 176.600 0.004 0.000 1.458 708 K CA 2.084 58.380 56.287 0.015 0.000 0.544 708 K CB -0.957 31.560 32.500 0.028 0.000 0.566 708 K HN 0.458 8.708 8.250 -0.000 0.000 0.927 709 E N 1.717 121.920 120.200 0.005 0.000 2.394 709 E HA 0.083 4.432 4.350 -0.002 0.000 0.191 709 E C -0.406 176.191 176.600 -0.006 0.000 1.044 709 E CA -0.217 56.181 56.400 -0.003 0.000 0.939 709 E CB 0.012 29.710 29.700 -0.002 0.000 1.089 709 E HN 0.202 8.562 8.360 -0.000 0.000 0.456 710 N N 2.381 121.081 118.700 0.001 0.000 2.497 710 N HA 0.019 4.758 4.740 -0.002 0.000 0.268 710 N C -1.619 173.861 175.510 -0.050 0.000 1.171 710 N CA -0.759 52.294 53.050 0.006 0.000 0.948 710 N CB 1.101 39.610 38.487 0.036 0.000 1.069 710 N HN 0.084 8.464 8.380 -0.000 0.000 0.460 711 P HA 0.009 4.429 4.420 -0.000 0.000 0.231 711 P C -0.692 176.214 177.300 -0.658 0.000 1.168 711 P CA 1.000 63.875 63.100 -0.374 0.000 0.779 711 P CB 0.341 31.785 31.700 -0.426 0.000 0.844 712 Y N -0.823 119.498 120.300 0.036 0.000 2.512 712 Y HA 0.485 5.034 4.550 -0.001 0.000 0.348 712 Y C -0.050 175.877 175.900 0.044 0.000 0.990 712 Y CA -1.414 56.711 58.100 0.043 0.000 1.033 712 Y CB 1.485 39.972 38.460 0.044 0.000 1.259 712 Y HN -0.319 7.961 8.280 -0.000 0.000 0.461 713 L N 4.533 125.877 121.223 0.202 0.000 2.272 713 L HA 0.545 4.884 4.340 -0.002 0.000 0.289 713 L C -1.377 175.589 176.870 0.160 0.000 1.032 713 L CA -0.731 54.197 54.840 0.146 0.000 0.810 713 L CB 0.832 42.958 42.059 0.113 0.000 1.205 713 L HN 0.560 8.790 8.230 -0.000 0.000 0.422 714 L N 7.525 128.823 121.223 0.124 0.000 2.277 714 L HA 0.540 4.879 4.340 -0.002 0.000 0.284 714 L C -0.771 176.148 176.870 0.083 0.000 1.028 714 L CA -0.254 54.649 54.840 0.106 0.000 0.835 714 L CB 0.392 42.502 42.059 0.085 0.000 1.215 714 L HN 0.538 8.768 8.230 -0.000 0.000 0.425 715 I N 5.941 126.571 120.570 0.100 0.000 2.359 715 I HA 0.500 4.669 4.170 -0.002 0.000 0.294 715 I C 0.047 176.164 176.117 -0.001 0.000 0.987 715 I CA -0.830 60.492 61.300 0.036 0.000 1.225 715 I CB 1.807 39.844 38.000 0.062 0.000 1.366 715 I HN 0.508 8.718 8.210 -0.000 0.000 0.466 716 V N 2.366 122.236 119.914 -0.073 0.000 2.864 716 V HA 0.829 4.948 4.120 -0.002 0.000 0.314 716 V C -0.090 175.909 176.094 -0.158 0.000 1.073 716 V CA -0.472 61.793 62.300 -0.059 0.000 0.956 716 V CB 1.671 33.493 31.823 -0.000 0.000 1.023 716 V HN 0.814 9.004 8.190 -0.000 0.000 0.435 717 S N 1.309 116.961 115.700 -0.081 0.000 2.689 717 S HA 0.466 4.935 4.470 -0.002 0.000 0.306 717 S C 0.744 175.353 174.600 0.015 0.000 1.104 717 S CA -0.031 58.118 58.200 -0.084 0.000 0.973 717 S CB 1.629 64.823 63.200 -0.010 0.000 1.121 717 S HN 1.033 9.343 8.310 -0.000 0.000 0.523 718 E N 1.020 121.227 120.200 0.012 0.000 2.204 718 E HA -0.176 4.173 4.350 -0.002 0.000 0.195 718 E C 0.422 177.049 176.600 0.044 0.000 0.990 718 E CA 1.076 57.489 56.400 0.022 0.000 0.821 718 E CB -0.548 29.161 29.700 0.015 0.000 0.750 718 E HN 0.558 8.918 8.360 -0.000 0.000 0.477 719 N N 0.353 119.112 118.700 0.099 0.000 2.276 719 N HA 0.103 4.842 4.740 -0.002 0.000 0.212 719 N C 0.596 176.196 175.510 0.151 0.000 1.127 719 N CA 0.787 53.910 53.050 0.122 0.000 0.834 719 N CB 1.219 39.803 38.487 0.162 0.000 1.014 719 N HN 0.433 8.813 8.380 -0.000 0.000 0.491 720 G N 0.037 108.909 108.800 0.119 0.000 2.131 720 G HA2 -0.277 3.683 3.960 -0.002 0.000 0.223 720 G HA3 -0.277 3.683 3.960 -0.002 0.000 0.223 720 G C -0.340 174.552 174.900 -0.012 0.000 0.990 720 G CA -0.335 44.781 45.100 0.026 0.000 0.671 720 G HN 0.348 8.638 8.290 -0.000 0.000 0.521 721 Y N 0.259 120.598 120.300 0.065 0.000 2.307 721 Y HA 0.523 5.072 4.550 -0.001 0.000 0.324 721 Y C 1.137 177.108 175.900 0.119 0.000 1.238 721 Y CA 0.564 58.732 58.100 0.113 0.000 1.280 721 Y CB 1.778 40.347 38.460 0.180 0.000 1.248 721 Y HN 0.378 8.658 8.280 -0.000 0.000 0.508 722 G N 1.974 110.932 108.800 0.264 0.000 2.706 722 G HA2 0.564 4.523 3.960 -0.002 0.000 0.297 722 G HA3 0.564 4.523 3.960 -0.002 0.000 0.297 722 G C -2.124 172.910 174.900 0.223 0.000 1.403 722 G CA -0.938 44.285 45.100 0.205 0.000 0.954 722 G HN 0.471 8.761 8.290 -0.000 0.000 0.500 723 K N 0.930 121.467 120.400 0.229 0.000 2.501 723 K HA 0.487 4.806 4.320 -0.002 0.000 0.252 723 K C -0.649 176.035 176.600 0.141 0.000 0.934 723 K CA -0.852 55.546 56.287 0.184 0.000 0.797 723 K CB 2.080 34.722 32.500 0.237 0.000 1.270 723 K HN 0.477 8.727 8.250 -0.000 0.000 0.431 724 R N 2.791 123.338 120.500 0.078 0.000 2.254 724 R HA 0.315 4.654 4.340 -0.002 0.000 0.318 724 R C -0.797 175.597 176.300 0.157 0.000 1.031 724 R CA -0.796 55.353 56.100 0.082 0.000 0.905 724 R CB 0.796 31.032 30.300 -0.107 0.000 1.050 724 R HN 0.346 8.616 8.270 -0.000 0.000 0.456 725 L N 3.485 124.844 121.223 0.227 0.000 2.313 725 L HA 0.269 4.608 4.340 -0.002 0.000 0.283 725 L C -0.207 176.833 176.870 0.283 0.000 1.013 725 L CA -0.500 54.472 54.840 0.222 0.000 0.816 725 L CB 1.413 43.575 42.059 0.171 0.000 1.236 725 L HN 0.501 8.731 8.230 -0.000 0.000 0.419 726 N N 3.893 122.750 118.700 0.262 0.000 2.411 726 N HA -0.116 4.623 4.740 -0.002 0.000 0.261 726 N C 0.951 176.466 175.510 0.008 0.000 1.248 726 N CA 0.180 53.279 53.050 0.083 0.000 0.885 726 N CB 0.861 39.386 38.487 0.063 0.000 1.062 726 N HN 0.839 9.219 8.380 -0.000 0.000 0.471 727 M N 3.457 123.004 119.600 -0.090 0.000 2.202 727 M HA -0.164 4.315 4.480 -0.002 0.000 0.262 727 M C 1.991 178.286 176.300 -0.010 0.000 1.063 727 M CA 1.435 56.714 55.300 -0.035 0.000 1.097 727 M CB -0.425 32.134 32.600 -0.068 0.000 1.382 727 M HN 0.677 8.967 8.290 -0.000 0.000 0.413 728 S N -1.068 114.613 115.700 -0.030 0.000 2.507 728 S HA -0.093 4.376 4.470 -0.002 0.000 0.235 728 S C 1.553 176.168 174.600 0.027 0.000 0.988 728 S CA 0.749 58.948 58.200 -0.002 0.000 0.944 728 S CB -0.658 62.532 63.200 -0.016 0.000 0.762 728 S HN 0.600 8.910 8.310 -0.000 0.000 0.526 729 K N 0.517 120.940 120.400 0.039 0.000 2.458 729 K HA 0.338 4.657 4.320 -0.002 0.000 0.194 729 K C -0.282 176.373 176.600 0.091 0.000 1.024 729 K CA 0.094 56.416 56.287 0.058 0.000 1.108 729 K CB 0.050 32.587 32.500 0.062 0.000 0.846 729 K HN 0.475 8.725 8.250 -0.000 0.000 0.518 730 I N 1.336 121.965 120.570 0.098 0.000 2.321 730 I HA 0.079 4.248 4.170 -0.002 0.000 0.291 730 I C -0.046 176.167 176.117 0.161 0.000 0.998 730 I CA -0.467 60.916 61.300 0.140 0.000 1.227 730 I CB 1.779 39.847 38.000 0.114 0.000 1.368 730 I HN -0.101 8.109 8.210 -0.000 0.000 0.466 731 S N 5.076 120.920 115.700 0.240 0.000 2.564 731 S HA 0.142 4.611 4.470 -0.002 0.000 0.278 731 S C -0.035 174.708 174.600 0.239 0.000 1.333 731 S CA -0.571 57.779 58.200 0.249 0.000 1.048 731 S CB 0.463 63.904 63.200 0.402 0.000 0.900 731 S HN 0.479 8.789 8.310 -0.000 0.000 0.505 732 E N 2.204 122.517 120.200 0.188 0.000 2.152 732 E HA 0.363 4.712 4.350 -0.002 0.000 0.285 732 E C -0.751 175.960 176.600 0.184 0.000 1.043 732 E CA -0.062 56.458 56.400 0.199 0.000 0.839 732 E CB 0.530 30.313 29.700 0.138 0.000 1.069 732 E HN 0.390 8.750 8.360 -0.000 0.000 0.399 733 L N 2.345 123.712 121.223 0.240 0.000 2.309 733 L HA 0.454 4.793 4.340 -0.002 0.000 0.261 733 L C 0.059 176.958 176.870 0.049 0.000 1.021 733 L CA -1.198 53.665 54.840 0.039 0.000 0.823 733 L CB 1.769 43.680 42.059 -0.247 0.000 1.366 733 L HN 0.274 8.504 8.230 -0.000 0.000 0.423 734 K N 1.013 121.355 120.400 -0.096 0.000 2.295 734 K HA 0.178 4.497 4.320 -0.002 0.000 0.270 734 K C 0.001 176.431 176.600 -0.284 0.000 1.011 734 K CA -0.433 55.793 56.287 -0.102 0.000 0.953 734 K CB 0.583 33.017 32.500 -0.111 0.000 0.956 734 K HN 0.436 8.686 8.250 -0.000 0.000 0.477 735 R N 0.784 121.065 120.500 -0.365 0.000 2.481 735 R HA -0.177 4.162 4.340 -0.002 0.000 0.291 735 R C 0.624 176.652 176.300 -0.455 0.000 0.934 735 R CA 1.625 57.295 56.100 -0.717 0.000 1.116 735 R CB -0.323 29.605 30.300 -0.620 0.000 0.895 735 R HN 0.969 9.239 8.270 -0.000 0.000 0.410 736 G N 1.843 110.382 108.800 -0.434 0.000 2.179 736 G HA2 -0.264 3.695 3.960 -0.002 0.000 0.220 736 G HA3 -0.264 3.695 3.960 -0.002 0.000 0.220 736 G C 0.151 174.786 174.900 -0.442 0.000 0.990 736 G CA -0.002 44.893 45.100 -0.340 0.000 0.646 736 G HN 0.969 9.259 8.290 -0.000 0.000 0.517 737 A N -0.044 122.313 122.820 -0.771 0.000 2.448 737 A HA 0.606 4.925 4.320 -0.002 0.000 0.239 737 A C 1.619 178.769 177.584 -0.725 0.000 1.080 737 A CA 1.640 53.125 52.037 -0.920 0.000 0.779 737 A CB 0.203 18.302 19.000 -1.502 0.000 1.026 737 A HN 0.689 8.839 8.150 -0.000 0.000 0.499 738 T N 0.583 114.824 114.554 -0.520 0.000 2.942 738 T HA 0.386 4.735 4.350 -0.002 0.000 0.265 738 T C 1.210 175.742 174.700 -0.281 0.000 1.062 738 T CA 1.565 63.471 62.100 -0.323 0.000 1.139 738 T CB -0.719 68.005 68.868 -0.241 0.000 0.883 738 T HN 2.198 10.438 8.240 -0.000 0.000 0.468 739 G N 0.450 108.948 108.800 -0.504 0.000 2.725 739 G HA2 -0.111 3.848 3.960 -0.002 0.000 0.220 739 G HA3 -0.111 3.848 3.960 -0.002 0.000 0.220 739 G C -1.235 173.364 174.900 -0.501 0.000 1.357 739 G CA -0.833 44.042 45.100 -0.375 0.000 0.866 739 G HN 0.325 8.615 8.290 -0.000 0.000 0.548 740 Y N -0.560 119.789 120.300 0.082 0.000 2.536 740 Y HA 0.624 5.173 4.550 -0.002 0.000 0.347 740 Y C 1.171 177.115 175.900 0.073 0.000 1.000 740 Y CA -0.320 57.814 58.100 0.056 0.000 1.051 740 Y CB 1.670 40.159 38.460 0.047 0.000 1.259 740 Y HN 0.665 8.945 8.280 -0.000 0.000 0.468 741 T N 1.481 116.175 114.554 0.235 0.000 2.866 741 T HA 0.072 4.421 4.350 -0.002 0.000 0.293 741 T C 0.525 175.321 174.700 0.160 0.000 1.005 741 T CA 0.720 62.917 62.100 0.161 0.000 1.162 741 T CB 0.070 69.006 68.868 0.115 0.000 0.968 741 T HN 0.738 8.978 8.240 -0.000 0.000 0.530 742 S N 1.888 117.690 115.700 0.168 0.000 2.787 742 S HA 0.235 4.704 4.470 -0.002 0.000 0.255 742 S C -0.608 174.125 174.600 0.222 0.000 1.051 742 S CA -0.392 57.913 58.200 0.174 0.000 1.124 742 S CB 0.380 63.687 63.200 0.178 0.000 1.104 742 S HN 0.736 9.046 8.310 -0.000 0.000 0.623 743 Y N 2.130 122.469 120.300 0.065 0.000 2.513 743 Y HA 0.443 4.992 4.550 -0.002 0.000 0.340 743 Y C -0.567 175.354 175.900 0.035 0.000 1.055 743 Y CA -1.288 56.843 58.100 0.050 0.000 1.020 743 Y CB 1.047 39.538 38.460 0.052 0.000 1.301 743 Y HN -0.113 8.167 8.280 -0.000 0.000 0.453 744 K N 4.395 124.541 120.400 -0.423 0.000 2.530 744 K HA 0.019 4.338 4.320 -0.002 0.000 0.280 744 K C -0.875 175.729 176.600 0.006 0.000 1.004 744 K CA 0.415 56.573 56.287 -0.214 0.000 1.071 744 K CB 0.353 32.654 32.500 -0.332 0.000 0.876 744 K HN 0.592 8.842 8.250 -0.000 0.000 0.487 745 K N 2.674 123.087 120.400 0.020 0.000 2.249 745 K HA 0.077 4.396 4.320 -0.002 0.000 0.280 745 K C -0.002 176.619 176.600 0.034 0.000 1.033 745 K CA -0.225 56.094 56.287 0.054 0.000 0.946 745 K CB 1.131 33.656 32.500 0.041 0.000 1.005 745 K HN 0.683 8.933 8.250 -0.000 0.000 0.469 746 S N 1.398 117.127 115.700 0.048 0.000 3.549 746 S HA -0.197 4.272 4.470 -0.002 0.000 0.366 746 S C -0.477 174.130 174.600 0.012 0.000 1.012 746 S CA 0.902 59.121 58.200 0.030 0.000 1.141 746 S CB -1.274 61.938 63.200 0.021 0.000 0.910 746 S HN 0.783 9.093 8.310 -0.000 0.000 0.471 747 D N 0.505 120.911 120.400 0.011 0.000 2.295 747 D HA 0.349 4.988 4.640 -0.002 0.000 0.248 747 D C 0.870 177.154 176.300 -0.028 0.000 1.154 747 D CA -0.299 53.684 54.000 -0.028 0.000 0.857 747 D CB 0.713 41.472 40.800 -0.068 0.000 1.117 747 D HN 0.332 8.702 8.370 -0.000 0.000 0.468 748 K N 3.699 124.080 120.400 -0.032 0.000 2.026 748 K HA -0.209 4.110 4.320 -0.002 0.000 0.208 748 K C 1.633 178.211 176.600 -0.035 0.000 1.048 748 K CA 1.181 57.455 56.287 -0.021 0.000 0.929 748 K CB 0.102 32.594 32.500 -0.012 0.000 0.713 748 K HN 0.235 8.485 8.250 -0.000 0.000 0.439 749 K N 0.225 120.578 120.400 -0.078 0.000 1.991 749 K HA -0.113 4.206 4.320 -0.002 0.000 0.212 749 K C 1.955 178.444 176.600 -0.184 0.000 1.049 749 K CA 1.794 58.014 56.287 -0.113 0.000 0.932 749 K CB -0.392 31.993 32.500 -0.192 0.000 0.717 749 K HN 0.297 8.547 8.250 -0.000 0.000 0.441 750 A N -0.118 122.496 122.820 -0.343 0.000 1.929 750 A HA 0.236 4.555 4.320 -0.002 0.000 0.216 750 A C 1.157 178.759 177.584 0.029 0.000 1.176 750 A CA 1.281 53.159 52.037 -0.264 0.000 0.628 750 A CB -1.022 17.857 19.000 -0.201 0.000 0.816 750 A HN 0.611 8.761 8.150 -0.000 0.000 0.444 751 G N -1.301 107.513 108.800 0.023 0.000 2.693 751 G HA2 -0.097 3.862 3.960 -0.002 0.000 0.226 751 G HA3 -0.097 3.862 3.960 -0.002 0.000 0.226 751 G C 0.029 174.968 174.900 0.066 0.000 1.354 751 G CA -0.233 44.893 45.100 0.044 0.000 0.873 751 G HN 0.979 9.269 8.290 -0.000 0.000 0.562 752 S N -1.231 114.491 115.700 0.036 0.000 2.614 752 S HA 0.496 4.965 4.470 -0.002 0.000 0.265 752 S C 0.856 175.419 174.600 -0.062 0.000 1.303 752 S CA -0.212 57.999 58.200 0.018 0.000 1.000 752 S CB 1.556 64.769 63.200 0.022 0.000 0.935 752 S HN 1.128 9.438 8.310 -0.000 0.000 0.551 753 V N 2.588 122.429 119.914 -0.121 0.000 2.655 753 V HA 0.050 4.169 4.120 -0.002 0.000 0.300 753 V C 1.201 177.240 176.094 -0.093 0.000 1.044 753 V CA 0.361 62.534 62.300 -0.212 0.000 1.095 753 V CB 0.808 32.515 31.823 -0.193 0.000 0.952 753 V HN 0.852 9.042 8.190 -0.000 0.000 0.485 754 V N -0.340 119.520 119.914 -0.090 0.000 3.484 754 V HA 0.519 4.638 4.120 -0.002 0.000 0.252 754 V C 0.261 176.337 176.094 -0.030 0.000 1.282 754 V CA 0.496 62.774 62.300 -0.037 0.000 1.104 754 V CB 0.825 32.634 31.823 -0.022 0.000 0.868 754 V HN 0.790 8.980 8.190 -0.000 0.000 0.457 755 D N -0.935 119.437 120.400 -0.046 0.000 2.710 755 D HA 0.776 5.415 4.640 -0.002 0.000 0.276 755 D C -1.332 174.951 176.300 -0.029 0.000 1.267 755 D CA 0.599 54.582 54.000 -0.028 0.000 0.772 755 D CB 2.076 42.864 40.800 -0.019 0.000 1.299 755 D HN 0.627 8.997 8.370 -0.000 0.000 0.421 756 A N 0.408 123.222 122.820 -0.010 0.000 2.608 756 A HA 0.757 5.076 4.320 -0.002 0.000 0.292 756 A C -1.448 176.145 177.584 0.015 0.000 1.066 756 A CA -0.623 51.419 52.037 0.007 0.000 0.676 756 A CB 0.917 19.927 19.000 0.017 0.000 1.277 756 A HN 0.627 8.777 8.150 -0.000 0.000 0.413 757 I N -1.616 118.973 120.570 0.031 0.000 2.802 757 I HA 0.855 5.025 4.170 -0.002 0.000 0.298 757 I C -0.003 176.148 176.117 0.055 0.000 1.176 757 I CA -1.149 60.172 61.300 0.035 0.000 1.025 757 I CB 2.203 40.222 38.000 0.032 0.000 1.243 757 I HN 0.888 9.098 8.210 -0.000 0.000 0.424 758 A N 4.591 127.443 122.820 0.052 0.000 2.328 758 A HA 0.779 5.098 4.320 -0.002 0.000 0.284 758 A C -0.140 177.492 177.584 0.080 0.000 1.160 758 A CA -0.345 51.731 52.037 0.066 0.000 0.818 758 A CB 0.693 19.720 19.000 0.045 0.000 1.087 758 A HN 1.239 9.389 8.150 -0.000 0.000 0.504 759 V N -0.009 119.974 119.914 0.116 0.000 3.114 759 V HA 0.835 4.954 4.120 -0.002 0.000 0.308 759 V C -0.100 176.104 176.094 0.183 0.000 1.168 759 V CA -0.628 61.749 62.300 0.129 0.000 1.015 759 V CB 1.539 33.433 31.823 0.119 0.000 1.050 759 V HN 0.747 8.937 8.190 -0.000 0.000 0.433 760 S N 0.779 116.571 115.700 0.153 0.000 2.687 760 S HA 0.395 4.864 4.470 -0.002 0.000 0.283 760 S C 0.869 175.559 174.600 0.149 0.000 1.170 760 S CA -0.360 57.952 58.200 0.187 0.000 1.008 760 S CB 1.535 64.805 63.200 0.116 0.000 1.026 760 S HN 0.919 9.229 8.310 -0.000 0.000 0.541 761 E N 0.711 120.997 120.200 0.142 0.000 2.209 761 E HA -0.176 4.173 4.350 -0.002 0.000 0.196 761 E C 0.272 176.889 176.600 0.028 0.000 0.993 761 E CA 1.032 57.450 56.400 0.030 0.000 0.819 761 E CB 0.025 29.731 29.700 0.009 0.000 0.745 761 E HN 0.456 8.816 8.360 -0.000 0.000 0.477 762 D N 0.620 121.049 120.400 0.048 0.000 2.339 762 D HA 0.005 4.644 4.640 -0.002 0.000 0.217 762 D C -0.256 176.066 176.300 0.037 0.000 1.050 762 D CA 0.251 54.271 54.000 0.034 0.000 0.856 762 D CB -0.013 40.807 40.800 0.034 0.000 0.922 762 D HN 0.047 8.417 8.370 -0.000 0.000 0.518 763 D N 1.612 122.043 120.400 0.052 0.000 2.414 763 D HA 0.075 4.714 4.640 -0.002 0.000 0.242 763 D C 0.524 176.858 176.300 0.057 0.000 1.129 763 D CA 0.465 54.503 54.000 0.063 0.000 0.885 763 D CB 1.110 41.956 40.800 0.077 0.000 1.198 763 D HN 0.089 8.459 8.370 -0.000 0.000 0.437 764 E N 0.847 121.091 120.200 0.072 0.000 2.231 764 E HA 0.500 4.849 4.350 -0.002 0.000 0.277 764 E C -0.028 176.702 176.600 0.216 0.000 0.999 764 E CA -0.633 55.805 56.400 0.064 0.000 0.827 764 E CB 1.632 31.291 29.700 -0.069 0.000 1.101 764 E HN 0.410 8.770 8.360 -0.000 0.000 0.393 765 I N -0.339 120.360 120.570 0.215 0.000 2.785 765 I HA 0.572 4.741 4.170 -0.002 0.000 0.302 765 I C -1.385 174.950 176.117 0.362 0.000 1.069 765 I CA -1.363 60.092 61.300 0.260 0.000 1.045 765 I CB 1.472 39.544 38.000 0.121 0.000 1.236 765 I HN 0.328 8.538 8.210 -0.000 0.000 0.429 766 L N 5.431 126.792 121.223 0.229 0.000 2.333 766 L HA 0.634 4.973 4.340 -0.002 0.000 0.280 766 L C -1.409 175.482 176.870 0.036 0.000 1.004 766 L CA -0.284 54.643 54.840 0.145 0.000 0.820 766 L CB 1.517 43.435 42.059 -0.234 0.000 1.247 766 L HN 0.629 8.859 8.230 -0.000 0.000 0.416 767 L N 5.879 127.139 121.223 0.062 0.000 2.322 767 L HA 0.747 5.086 4.340 -0.002 0.000 0.281 767 L C -0.856 176.041 176.870 0.046 0.000 1.014 767 L CA -0.665 54.200 54.840 0.042 0.000 0.815 767 L CB 1.907 43.996 42.059 0.051 0.000 1.247 767 L HN 0.319 8.549 8.230 -0.000 0.000 0.421 768 V N 1.238 121.171 119.914 0.031 0.000 2.638 768 V HA 0.536 4.655 4.120 -0.002 0.000 0.306 768 V C 0.017 176.133 176.094 0.038 0.000 1.052 768 V CA -0.614 61.714 62.300 0.046 0.000 0.885 768 V CB 1.982 33.830 31.823 0.041 0.000 0.999 768 V HN 0.874 9.064 8.190 -0.000 0.000 0.424 769 S N 3.568 119.295 115.700 0.046 0.000 2.713 769 S HA 0.450 4.919 4.470 -0.002 0.000 0.283 769 S C 0.834 175.447 174.600 0.022 0.000 1.161 769 S CA -0.620 57.597 58.200 0.028 0.000 0.999 769 S CB 1.413 64.629 63.200 0.027 0.000 1.039 769 S HN 0.632 8.942 8.310 -0.000 0.000 0.548 770 K N 0.398 120.800 120.400 0.004 0.000 2.103 770 K HA -0.051 4.268 4.320 -0.002 0.000 0.207 770 K C 1.960 178.553 176.600 -0.011 0.000 1.048 770 K CA 1.333 57.613 56.287 -0.011 0.000 0.930 770 K CB -0.205 32.284 32.500 -0.018 0.000 0.716 770 K HN 0.537 8.787 8.250 -0.000 0.000 0.444 771 R N 0.447 120.950 120.500 0.005 0.000 2.313 771 R HA 0.004 4.343 4.340 -0.002 0.000 0.199 771 R C 0.724 177.051 176.300 0.045 0.000 0.958 771 R CA 0.837 56.945 56.100 0.013 0.000 1.047 771 R CB 0.109 30.419 30.300 0.018 0.000 0.955 771 R HN 0.302 8.572 8.270 -0.000 0.000 0.481 772 S N -0.959 114.777 115.700 0.061 0.000 3.091 772 S HA -0.128 4.341 4.470 -0.002 0.000 0.275 772 S C -0.126 174.548 174.600 0.124 0.000 1.306 772 S CA 0.512 58.782 58.200 0.117 0.000 1.083 772 S CB -1.263 62.050 63.200 0.188 0.000 1.313 772 S HN 0.162 8.472 8.310 -0.000 0.000 0.673 773 K N 2.148 122.605 120.400 0.094 0.000 2.451 773 K HA 0.655 4.974 4.320 -0.002 0.000 0.280 773 K C 0.314 176.986 176.600 0.120 0.000 1.020 773 K CA 0.929 57.276 56.287 0.101 0.000 1.008 773 K CB 0.880 33.430 32.500 0.082 0.000 0.917 773 K HN 0.798 9.048 8.250 -0.000 0.000 0.478 774 A N 3.413 126.327 122.820 0.157 0.000 2.386 774 A HA 0.691 5.011 4.320 -0.002 0.000 0.311 774 A C -1.425 176.284 177.584 0.209 0.000 1.068 774 A CA -0.779 51.381 52.037 0.206 0.000 0.743 774 A CB 1.167 20.385 19.000 0.364 0.000 1.258 774 A HN 0.520 8.670 8.150 -0.000 0.000 0.429 775 L N 1.630 122.961 121.223 0.179 0.000 2.470 775 L HA 0.626 4.965 4.340 -0.002 0.000 0.268 775 L C -0.387 176.578 176.870 0.159 0.000 0.964 775 L CA -0.264 54.668 54.840 0.153 0.000 0.839 775 L CB 1.794 43.914 42.059 0.101 0.000 1.276 775 L HN 0.781 9.011 8.230 -0.000 0.000 0.403 776 R N 3.453 124.041 120.500 0.146 0.000 2.255 776 R HA 0.704 5.043 4.340 -0.002 0.000 0.326 776 R C -0.906 175.386 176.300 -0.014 0.000 0.986 776 R CA 0.011 56.147 56.100 0.059 0.000 0.847 776 R CB 1.281 31.509 30.300 -0.119 0.000 1.111 776 R HN 0.835 9.105 8.270 -0.000 0.000 0.452 777 T N 1.892 116.445 114.554 -0.001 0.000 2.654 777 T HA 0.440 4.789 4.350 -0.002 0.000 0.289 777 T C -1.296 173.395 174.700 -0.015 0.000 1.062 777 T CA -0.481 61.611 62.100 -0.013 0.000 1.041 777 T CB 1.458 70.333 68.868 0.011 0.000 1.417 777 T HN 0.236 8.476 8.240 -0.000 0.000 0.510 778 V N 2.571 122.478 119.914 -0.012 0.000 2.427 778 V HA 0.595 4.714 4.120 -0.002 0.000 0.286 778 V C 1.540 177.635 176.094 0.001 0.000 1.034 778 V CA 0.040 62.336 62.300 -0.008 0.000 0.893 778 V CB 1.005 32.818 31.823 -0.017 0.000 0.982 778 V HN 1.101 9.291 8.190 -0.000 0.000 0.452 779 A N 4.111 126.938 122.820 0.012 0.000 1.940 779 A HA -0.094 4.225 4.320 -0.002 0.000 0.219 779 A C 2.209 179.770 177.584 -0.038 0.000 1.176 779 A CA 2.134 54.174 52.037 0.005 0.000 0.631 779 A CB -0.934 18.083 19.000 0.027 0.000 0.814 779 A HN 1.114 9.264 8.150 -0.000 0.000 0.446 780 G N -0.612 108.160 108.800 -0.046 0.000 2.470 780 G HA2 -0.207 3.752 3.960 -0.002 0.000 0.220 780 G HA3 -0.207 3.752 3.960 -0.002 0.000 0.220 780 G C 1.561 176.421 174.900 -0.065 0.000 1.121 780 G CA 1.013 46.064 45.100 -0.081 0.000 0.766 780 G HN 0.611 8.901 8.290 -0.000 0.000 0.553 781 K N -0.277 120.101 120.400 -0.037 0.000 2.365 781 K HA 0.084 4.403 4.320 -0.002 0.000 0.199 781 K C 0.394 176.981 176.600 -0.022 0.000 1.045 781 K CA -0.103 56.169 56.287 -0.026 0.000 0.962 781 K CB 0.237 32.728 32.500 -0.015 0.000 0.759 781 K HN 0.167 8.417 8.250 -0.000 0.000 0.469 782 V N 2.608 122.508 119.914 -0.024 0.000 2.470 782 V HA 0.009 4.128 4.120 -0.002 0.000 0.276 782 V C 0.192 176.268 176.094 -0.030 0.000 1.040 782 V CA -0.257 62.038 62.300 -0.009 0.000 1.008 782 V CB 1.179 33.008 31.823 0.009 0.000 0.990 782 V HN 0.122 8.312 8.190 -0.000 0.000 0.477 783 S N 4.106 119.803 115.700 -0.006 0.000 2.549 783 S HA 0.047 4.516 4.470 -0.002 0.000 0.286 783 S C 0.299 174.886 174.600 -0.021 0.000 1.314 783 S CA -0.148 58.044 58.200 -0.014 0.000 1.062 783 S CB 0.240 63.448 63.200 0.014 0.000 0.865 783 S HN 0.855 9.165 8.310 -0.000 0.000 0.498 784 E N 2.522 122.689 120.200 -0.056 0.000 2.290 784 E HA 0.139 4.489 4.350 -0.002 0.000 0.277 784 E C -0.174 176.439 176.600 0.022 0.000 1.035 784 E CA -0.018 56.365 56.400 -0.028 0.000 0.873 784 E CB 0.404 30.071 29.700 -0.055 0.000 1.029 784 E HN 0.578 8.938 8.360 -0.000 0.000 0.419 785 Q N 1.961 121.789 119.800 0.047 0.000 2.882 785 Q HA 0.505 4.844 4.340 -0.002 0.000 0.315 785 Q C -0.104 175.925 176.000 0.049 0.000 1.004 785 Q CA -1.097 54.729 55.803 0.038 0.000 0.777 785 Q CB 1.630 30.380 28.738 0.020 0.000 1.506 785 Q HN 0.647 8.917 8.270 -0.000 0.000 0.489 786 G N 0.104 108.921 108.800 0.027 0.000 2.543 786 G HA2 0.144 4.103 3.960 -0.002 0.000 0.290 786 G HA3 0.144 4.103 3.960 -0.002 0.000 0.290 786 G C 0.167 175.082 174.900 0.024 0.000 1.310 786 G CA -0.229 44.888 45.100 0.029 0.000 1.025 786 G HN 0.470 8.760 8.290 -0.000 0.000 0.502 787 K N -0.788 119.630 120.400 0.029 0.000 2.063 787 K HA -0.082 4.237 4.320 -0.002 0.000 0.208 787 K C 1.317 177.920 176.600 0.004 0.000 1.048 787 K CA 1.595 57.905 56.287 0.040 0.000 0.928 787 K CB 0.029 32.557 32.500 0.047 0.000 0.713 787 K HN 0.267 8.517 8.250 -0.000 0.000 0.442 788 D N 0.015 120.400 120.400 -0.024 0.000 2.328 788 D HA 0.096 4.735 4.640 -0.002 0.000 0.226 788 D C -0.140 176.081 176.300 -0.132 0.000 1.066 788 D CA 0.137 54.102 54.000 -0.058 0.000 0.861 788 D CB 0.193 40.970 40.800 -0.038 0.000 0.912 788 D HN 0.188 8.558 8.370 -0.000 0.000 0.521 789 A N 0.421 123.151 122.820 -0.151 0.000 2.264 789 A HA 0.444 4.763 4.320 -0.002 0.000 0.304 789 A C 1.379 178.708 177.584 -0.425 0.000 1.100 789 A CA -0.521 51.399 52.037 -0.195 0.000 0.839 789 A CB 0.878 19.820 19.000 -0.097 0.000 1.121 789 A HN 0.134 8.284 8.150 -0.000 0.000 0.496 790 R N 0.551 120.827 120.500 -0.373 0.000 2.308 790 R HA 0.380 4.719 4.340 -0.002 0.000 0.202 790 R C 0.814 177.072 176.300 -0.070 0.000 0.898 790 R CA 1.027 56.820 56.100 -0.512 0.000 1.046 790 R CB -0.416 29.669 30.300 -0.357 0.000 1.026 790 R HN 1.867 10.137 8.270 -0.000 0.000 0.512 791 G N 1.878 110.690 108.800 0.019 0.000 2.525 791 G HA2 -0.287 3.672 3.960 -0.002 0.000 0.248 791 G HA3 -0.287 3.672 3.960 -0.002 0.000 0.248 791 G C -0.143 174.906 174.900 0.249 0.000 1.238 791 G CA 0.149 45.340 45.100 0.152 0.000 0.926 791 G HN 0.528 8.818 8.290 -0.000 0.000 0.574 792 I N -3.058 117.656 120.570 0.239 0.000 3.002 792 I HA 0.749 4.918 4.170 -0.002 0.000 0.310 792 I C 0.150 176.234 176.117 -0.055 0.000 1.087 792 I CA -1.079 60.315 61.300 0.157 0.000 1.017 792 I CB 2.144 40.182 38.000 0.063 0.000 1.226 792 I HN 0.727 8.937 8.210 -0.000 0.000 0.443 793 Q N 2.033 121.620 119.800 -0.354 0.000 2.276 793 Q HA 0.184 4.523 4.340 -0.002 0.000 0.267 793 Q C -0.049 175.820 176.000 -0.218 0.000 1.135 793 Q CA -0.163 55.275 55.803 -0.609 0.000 0.910 793 Q CB 1.092 29.537 28.738 -0.488 0.000 1.271 793 Q HN 0.752 9.022 8.270 -0.000 0.000 0.417 794 V N 4.652 124.472 119.914 -0.156 0.000 2.685 794 V HA 0.027 4.146 4.120 -0.002 0.000 0.244 794 V C 0.171 176.256 176.094 -0.014 0.000 1.054 794 V CA 0.450 62.723 62.300 -0.044 0.000 1.076 794 V CB 0.219 32.040 31.823 -0.003 0.000 0.725 794 V HN 0.609 8.799 8.190 -0.000 0.000 0.467 795 L N -0.331 120.879 121.223 -0.023 0.000 2.376 795 L HA 0.551 4.890 4.340 -0.002 0.000 0.275 795 L C -0.941 175.949 176.870 0.034 0.000 0.987 795 L CA -0.732 54.125 54.840 0.029 0.000 0.828 795 L CB 1.512 43.589 42.059 0.030 0.000 1.249 795 L HN 0.121 8.351 8.230 -0.000 0.000 0.409 796 F N 5.689 125.614 119.950 -0.042 0.000 2.456 796 F HA 0.550 5.076 4.527 -0.001 0.000 0.358 796 F C -0.866 174.930 175.800 -0.006 0.000 1.095 796 F CA 0.034 58.013 58.000 -0.034 0.000 1.216 796 F CB 0.525 39.510 39.000 -0.026 0.000 1.125 796 F HN 0.401 8.701 8.300 -0.000 0.000 0.549 797 L N 5.396 126.221 121.223 -0.664 0.000 2.365 797 L HA 0.343 4.682 4.340 -0.002 0.000 0.273 797 L C -1.313 175.290 176.870 -0.446 0.000 1.000 797 L CA -0.908 53.715 54.840 -0.361 0.000 0.819 797 L CB 1.935 43.862 42.059 -0.220 0.000 1.284 797 L HN 0.492 8.722 8.230 -0.000 0.000 0.418 798 D N 3.341 123.652 120.400 -0.148 0.000 2.454 798 D HA 0.233 4.872 4.640 -0.002 0.000 0.247 798 D C -0.441 175.841 176.300 -0.029 0.000 1.129 798 D CA -0.195 53.772 54.000 -0.055 0.000 0.877 798 D CB 0.485 41.336 40.800 0.084 0.000 1.082 798 D HN 0.370 8.740 8.370 -0.000 0.000 0.537 799 N N 3.191 121.866 118.700 -0.041 0.000 2.667 799 N HA -0.226 4.513 4.740 -0.002 0.000 0.263 799 N C -1.223 174.273 175.510 -0.023 0.000 1.038 799 N CA 1.112 54.148 53.050 -0.024 0.000 0.749 799 N CB -0.508 37.976 38.487 -0.005 0.000 0.892 799 N HN 0.645 9.025 8.380 -0.000 0.000 0.546 800 D N -1.541 118.837 120.400 -0.036 0.000 2.742 800 D HA 0.493 5.132 4.640 -0.002 0.000 0.262 800 D C -1.260 175.020 176.300 -0.033 0.000 1.240 800 D CA -0.092 53.891 54.000 -0.028 0.000 0.752 800 D CB 1.082 41.867 40.800 -0.026 0.000 1.290 800 D HN -0.013 8.357 8.370 -0.000 0.000 0.420 801 S N 0.332 116.020 115.700 -0.020 0.000 2.564 801 S HA 0.546 5.015 4.470 -0.002 0.000 0.274 801 S C -1.156 173.441 174.600 -0.005 0.000 1.124 801 S CA -0.614 57.578 58.200 -0.013 0.000 0.869 801 S CB 1.652 64.847 63.200 -0.008 0.000 1.105 801 S HN 0.474 8.784 8.310 -0.000 0.000 0.472 802 L N 2.825 124.049 121.223 0.001 0.000 2.380 802 L HA 0.438 4.777 4.340 -0.002 0.000 0.273 802 L C 0.385 177.256 176.870 0.003 0.000 1.138 802 L CA 0.652 55.496 54.840 0.006 0.000 0.832 802 L CB 0.772 42.839 42.059 0.012 0.000 1.124 802 L HN 0.584 8.814 8.230 -0.000 0.000 0.454 803 V N 2.166 122.082 119.914 0.003 0.000 3.151 803 V HA 0.300 4.419 4.120 -0.002 0.000 0.241 803 V C 0.440 176.532 176.094 -0.003 0.000 1.173 803 V CA 0.876 63.175 62.300 -0.001 0.000 1.154 803 V CB 0.523 32.345 31.823 -0.003 0.000 0.898 803 V HN 0.891 9.081 8.190 -0.000 0.000 0.473 804 S N -0.857 114.841 115.700 -0.002 0.000 2.556 804 S HA 0.694 5.163 4.470 -0.002 0.000 0.271 804 S C -1.558 173.036 174.600 -0.010 0.000 1.135 804 S CA -0.471 57.723 58.200 -0.010 0.000 0.858 804 S CB 2.265 65.455 63.200 -0.016 0.000 1.114 804 S HN 0.104 8.414 8.310 -0.000 0.000 0.468 805 V N 2.637 122.543 119.914 -0.014 0.000 2.656 805 V HA 0.925 5.044 4.120 -0.002 0.000 0.307 805 V C -0.652 175.426 176.094 -0.028 0.000 1.051 805 V CA 0.276 62.570 62.300 -0.010 0.000 0.893 805 V CB 1.786 33.614 31.823 0.009 0.000 0.999 805 V HN 1.513 9.703 8.190 -0.000 0.000 0.426 806 S N 5.014 120.684 115.700 -0.049 0.000 2.618 806 S HA 0.612 5.081 4.470 -0.002 0.000 0.277 806 S C -1.036 173.523 174.600 -0.067 0.000 1.138 806 S CA -0.927 57.226 58.200 -0.079 0.000 0.844 806 S CB 1.912 65.025 63.200 -0.145 0.000 1.127 806 S HN 0.864 9.174 8.310 -0.000 0.000 0.474 807 K N 1.025 121.395 120.400 -0.050 0.000 2.234 807 K HA 0.418 4.737 4.320 -0.002 0.000 0.277 807 K C -1.264 175.323 176.600 -0.022 0.000 1.038 807 K CA -0.650 55.647 56.287 0.018 0.000 0.888 807 K CB 0.327 32.853 32.500 0.042 0.000 1.091 807 K HN 0.583 8.833 8.250 -0.000 0.000 0.467 808 F N 4.176 124.110 119.950 -0.027 0.000 2.563 808 F HA 0.059 4.585 4.527 -0.002 0.000 0.363 808 F C 1.042 176.838 175.800 -0.006 0.000 1.123 808 F CA 0.075 58.058 58.000 -0.028 0.000 1.307 808 F CB 0.404 39.386 39.000 -0.029 0.000 1.115 808 F HN 0.380 8.680 8.300 -0.000 0.000 0.592 809 I N 0.000 120.657 120.570 0.145 0.000 2.984 809 I HA 0.000 4.169 4.170 -0.002 0.000 0.288 809 I CA 0.000 61.361 61.300 0.101 0.000 1.566 809 I CB 0.000 38.034 38.000 0.056 0.000 1.214 809 I HN 0.000 8.210 8.210 -0.000 0.000 0.494