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 2ro1_1_A DATA FIRST_RESID 624 DATA SEQUENCE SATICRVCQK PGDLVMCNQC EFCFHLDCHL PALQDVPGEE WSCSLCHVLP DATA SEQUENCE DLKEEDGSLS LDGADSTGVV AKLSPANQRK CERVLLALFC HEPCRPLHQL DATA SEQUENCE ATDSTFSLDQ PGGTLDLTLI RARLQEKLSP PYSSPQEFAQ DVGRMFKQFN DATA SEQUENCE KLTEDKADVQ SIIGLQRFFE TRMNEAFGDT KFSAVLVEP 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 624 S HA 0.000 4.480 4.470 0.017 0.000 0.327 624 S C 0.000 174.612 174.600 0.020 0.000 1.055 624 S CA 0.000 58.214 58.200 0.023 0.000 1.107 624 S CB 0.000 63.221 63.200 0.034 0.000 0.593 625 A N 2.194 125.020 122.820 0.009 0.000 2.271 625 A HA 0.371 4.698 4.320 0.012 0.000 0.288 625 A C 0.075 177.660 177.584 0.002 0.000 1.094 625 A CA -0.504 51.535 52.037 0.005 0.000 0.828 625 A CB 0.621 19.618 19.000 -0.005 0.000 1.091 625 A HN 0.124 8.276 8.150 0.003 0.000 0.493 626 T N -0.261 114.295 114.554 0.003 0.000 2.555 626 T HA -0.350 4.017 4.350 0.029 0.000 0.264 626 T C -0.582 174.092 174.700 -0.042 0.000 1.083 626 T CA 2.234 64.336 62.100 0.002 0.000 1.179 626 T CB 0.272 69.141 68.868 0.002 0.000 0.863 626 T HN -0.023 8.221 8.240 0.006 0.000 0.412 627 I N -7.190 113.334 120.570 -0.077 0.000 3.473 627 I HA -0.546 3.741 4.170 -0.145 -0.203 0.126 627 I C -0.710 175.270 176.117 -0.229 0.000 0.969 627 I CA -0.235 60.983 61.300 -0.138 0.000 2.751 627 I CB -1.027 36.911 38.000 -0.103 0.000 1.106 627 I HN -0.555 7.623 8.210 -0.053 0.000 0.344 628 C N 7.243 126.324 119.300 -0.364 0.000 2.887 628 C HA -0.209 4.157 4.460 -0.406 -0.150 0.392 628 C C 1.921 176.627 174.990 -0.473 0.000 1.191 628 C CA -0.047 58.692 59.018 -0.464 0.000 1.252 628 C CB -2.604 24.747 27.740 -0.648 0.000 1.926 628 C HN 0.595 8.476 8.230 -0.421 0.096 0.589 629 R N 7.222 127.385 120.500 -0.561 0.000 2.335 629 R HA -0.497 3.572 4.340 -0.451 0.000 0.263 629 R C -0.258 175.741 176.300 -0.501 0.000 1.110 629 R CA 2.876 58.603 56.100 -0.621 0.000 0.973 629 R CB -0.767 28.906 30.300 -1.046 0.000 0.915 629 R HN 0.631 8.523 8.270 -0.482 0.088 0.466 630 V N -4.572 115.016 119.914 -0.542 0.000 2.215 630 V HA -0.364 3.880 4.120 -0.153 -0.216 0.246 630 V C 1.211 177.181 176.094 -0.207 0.000 1.047 630 V CA 3.050 65.208 62.300 -0.237 0.000 0.999 630 V CB -0.035 31.779 31.823 -0.014 0.000 0.635 630 V HN -0.288 7.362 8.190 -0.852 0.029 0.450 631 C N -4.443 114.776 119.300 -0.135 0.000 2.435 631 C HA -0.127 4.261 4.460 -0.121 0.000 0.279 631 C C 0.183 175.109 174.990 -0.107 0.000 1.321 631 C CA 0.682 59.650 59.018 -0.083 0.000 1.752 631 C CB -0.384 27.403 27.740 0.078 0.000 1.959 631 C HN -0.527 7.643 8.230 -0.100 0.000 0.500 632 Q N -5.778 113.928 119.800 -0.157 0.000 2.506 632 Q HA -0.398 3.831 4.340 -0.185 0.000 0.268 632 Q C -1.312 174.637 176.000 -0.085 0.000 1.002 632 Q CA 0.768 56.484 55.803 -0.144 0.000 1.052 632 Q CB -1.465 27.198 28.738 -0.124 0.000 1.383 632 Q HN 0.530 8.425 8.270 -0.215 0.246 0.537 633 K N -1.080 119.286 120.400 -0.056 0.000 2.244 633 K HA 0.515 4.832 4.320 -0.004 0.000 0.260 633 K C -2.131 174.456 176.600 -0.023 0.000 0.951 633 K CA -3.109 53.183 56.287 0.008 0.000 0.826 633 K CB 2.043 34.609 32.500 0.110 0.000 1.108 633 K HN -0.434 7.731 8.250 -0.065 0.046 0.433 634 P HA -0.011 4.467 4.420 -0.049 -0.088 0.272 634 P C -0.565 176.769 177.300 0.057 0.000 1.240 634 P CA -0.011 63.085 63.100 -0.007 0.000 0.791 634 P CB 0.830 32.535 31.700 0.009 0.000 0.978 635 G N 1.271 110.095 108.800 0.039 0.000 2.441 635 G HA2 -0.142 3.872 3.960 0.091 0.000 0.222 635 G HA3 -0.142 3.951 3.960 0.222 0.000 0.222 635 G C -1.111 173.831 174.900 0.070 0.000 1.254 635 G CA 0.119 45.281 45.100 0.103 0.000 0.959 635 G HN -0.095 8.197 8.290 0.004 0.000 0.474 636 D N 2.738 123.207 120.400 0.116 0.000 2.841 636 D HA 0.115 4.786 4.640 0.051 0.000 0.244 636 D C 0.086 176.421 176.300 0.059 0.000 1.228 636 D CA -0.890 53.157 54.000 0.078 0.000 0.872 636 D CB -1.092 39.756 40.800 0.079 0.000 1.082 636 D HN 0.229 8.707 8.370 0.180 0.000 0.457 637 L N -4.060 117.170 121.223 0.011 0.000 2.466 637 L HA 0.063 4.523 4.340 -0.032 -0.140 0.257 637 L C -0.049 176.846 176.870 0.043 0.000 1.189 637 L CA -1.184 53.644 54.840 -0.021 0.000 0.813 637 L CB 0.704 42.704 42.059 -0.098 0.000 1.118 637 L HN -0.572 7.502 8.230 0.004 0.159 0.471 638 V N 1.897 121.872 119.914 0.101 0.000 2.350 638 V HA 0.290 4.479 4.120 0.116 0.000 0.285 638 V C -1.532 174.790 176.094 0.380 0.000 1.014 638 V CA -2.100 60.297 62.300 0.161 0.000 0.831 638 V CB 1.832 33.636 31.823 -0.032 0.000 1.000 638 V HN 0.100 8.343 8.190 0.131 0.026 0.433 639 M N 6.967 126.740 119.600 0.289 0.000 2.185 639 M HA 0.210 4.890 4.480 0.334 0.000 0.357 639 M C -1.219 175.271 176.300 0.318 0.000 1.260 639 M CA 0.037 55.513 55.300 0.294 0.000 1.124 639 M CB 0.416 33.123 32.600 0.178 0.000 1.600 639 M HN 0.024 8.438 8.290 0.205 0.000 0.467 640 C N 7.393 126.869 119.300 0.295 0.000 2.665 640 C HA -0.229 4.340 4.460 -0.005 -0.113 0.397 640 C C 1.394 176.435 174.990 0.085 0.000 1.395 640 C CA 0.594 59.672 59.018 0.100 0.000 1.462 640 C CB -1.752 26.021 27.740 0.054 0.000 2.323 640 C HN 0.641 8.945 8.230 0.368 0.147 0.617 641 N N 8.995 127.744 118.700 0.081 0.000 2.586 641 N HA -0.346 4.444 4.740 0.084 0.000 0.191 641 N C -0.172 175.353 175.510 0.025 0.000 1.085 641 N CA 2.605 55.696 53.050 0.067 0.000 0.921 641 N CB 0.045 38.578 38.487 0.076 0.000 0.954 641 N HN 0.482 8.925 8.380 0.104 0.000 0.448 642 Q N -5.267 114.527 119.800 -0.010 0.000 2.477 642 Q HA 0.176 4.505 4.340 -0.018 0.000 0.252 642 Q C -0.467 175.521 176.000 -0.020 0.000 0.869 642 Q CA 0.538 56.322 55.803 -0.033 0.000 0.969 642 Q CB 1.554 30.242 28.738 -0.084 0.000 1.144 642 Q HN -0.427 7.710 8.270 -0.028 0.117 0.577 643 C N -2.455 116.841 119.300 -0.008 0.000 3.061 643 C HA 0.379 4.968 4.460 0.044 -0.103 0.249 643 C C -0.756 174.365 174.990 0.219 0.000 2.060 643 C CA -1.549 57.491 59.018 0.036 0.000 1.649 643 C CB 0.018 27.680 27.740 -0.131 0.000 3.268 643 C HN -0.643 7.489 8.230 -0.012 0.091 0.457 644 E N -4.803 115.515 120.200 0.196 0.000 3.343 644 E HA -0.551 3.909 4.350 0.184 0.000 0.281 644 E C -0.993 175.813 176.600 0.344 0.000 0.914 644 E CA 1.656 58.194 56.400 0.230 0.000 0.884 644 E CB -1.861 27.946 29.700 0.179 0.000 1.445 644 E HN 0.054 8.493 8.360 0.132 0.000 0.468 645 F N 0.670 120.718 119.950 0.163 0.000 2.495 645 F HA -0.228 4.424 4.527 0.208 0.000 0.339 645 F C -0.710 175.386 175.800 0.494 0.000 1.226 645 F CA 1.399 59.577 58.000 0.296 0.000 0.998 645 F CB -1.631 37.595 39.000 0.376 0.000 1.180 645 F HN -0.798 7.696 8.300 0.583 0.155 0.611 646 C N 1.400 120.896 119.300 0.327 0.000 2.466 646 C HA 0.341 5.390 4.460 0.540 -0.264 0.379 646 C C -1.032 174.110 174.990 0.253 0.000 1.251 646 C CA -0.636 58.588 59.018 0.343 0.000 2.263 646 C CB 1.293 29.088 27.740 0.091 0.000 2.511 646 C HN -0.205 8.080 8.230 0.091 0.000 0.573 647 F N -0.670 119.358 119.950 0.131 0.000 2.574 647 F HA 0.220 4.770 4.527 0.038 0.000 0.313 647 F C -0.182 175.577 175.800 -0.069 0.000 1.130 647 F CA -0.673 57.367 58.000 0.066 0.000 0.936 647 F CB 3.799 42.933 39.000 0.224 0.000 1.219 647 F HN -0.093 8.482 8.300 0.464 0.003 0.445 648 H N 5.921 125.098 119.070 0.179 0.000 2.568 648 H HA -0.191 4.403 4.556 0.063 0.000 0.281 648 H C 1.012 176.388 175.328 0.079 0.000 1.028 648 H CA 2.735 58.842 56.048 0.098 0.000 1.199 648 H CB -0.161 29.651 29.762 0.084 0.000 1.352 648 H HN 0.660 8.899 8.280 -0.069 0.000 0.605 649 L N -5.711 115.624 121.223 0.188 0.000 3.370 649 L HA -0.599 3.645 4.340 -0.161 0.000 0.308 649 L C 1.051 178.009 176.870 0.147 0.000 4.222 649 L CA 3.066 57.922 54.840 0.028 0.000 1.163 649 L CB -1.935 40.087 42.059 -0.061 0.000 3.373 649 L HN -0.109 8.087 8.230 0.266 0.193 0.809 650 D N 0.417 120.908 120.400 0.152 0.000 2.182 650 D HA -0.295 4.403 4.640 0.097 0.000 0.201 650 D C 0.580 177.015 176.300 0.224 0.000 0.986 650 D CA 3.072 57.158 54.000 0.143 0.000 0.847 650 D CB 0.106 40.968 40.800 0.104 0.000 0.942 650 D HN 0.335 8.716 8.370 0.144 0.076 0.467 651 C N -3.857 115.645 119.300 0.336 0.000 2.468 651 C HA -0.160 4.584 4.460 0.473 0.000 0.277 651 C C -0.026 175.265 174.990 0.502 0.000 1.400 651 C CA 0.526 59.823 59.018 0.465 0.000 1.770 651 C CB -2.205 25.820 27.740 0.474 0.000 1.905 651 C HN -0.011 8.418 8.230 0.351 0.012 0.519 652 H N 1.343 120.634 119.070 0.368 0.000 3.152 652 H HA -0.256 4.625 4.556 0.542 0.000 0.319 652 H C 1.408 176.695 175.328 -0.069 0.000 0.994 652 H CA 0.227 56.416 56.048 0.235 0.000 1.370 652 H CB 1.005 30.744 29.762 -0.039 0.000 1.322 652 H HN -0.809 7.583 8.280 0.494 0.184 0.590 653 L N 6.587 127.410 121.223 -0.667 0.000 1.997 653 L HA -0.302 3.107 4.340 -1.552 0.000 0.227 653 L C -0.555 175.960 176.870 -0.592 0.000 1.087 653 L CA 5.361 59.644 54.840 -0.929 0.000 0.797 653 L CB -1.280 40.348 42.059 -0.718 0.000 0.902 653 L HN 0.721 8.657 8.230 -0.490 0.000 0.441 654 P HA 0.073 4.369 4.420 -0.205 0.000 0.257 654 P C -1.203 176.018 177.300 -0.131 0.000 1.281 654 P CA -0.804 62.137 63.100 -0.266 0.000 0.826 654 P CB -0.197 31.371 31.700 -0.220 0.000 1.237 655 A N -2.385 120.367 122.820 -0.113 0.000 2.379 655 A HA -0.451 4.268 4.320 0.126 -0.324 0.665 655 A C -0.562 177.070 177.584 0.080 0.000 0.178 655 A CA 0.403 52.468 52.037 0.046 0.000 0.125 655 A CB -0.824 18.194 19.000 0.029 0.000 3.856 655 A HN -0.069 7.724 8.150 -0.273 0.193 0.531 656 L N 2.136 123.398 121.223 0.065 0.000 2.295 656 L HA -0.233 4.056 4.340 -0.086 0.000 0.233 656 L C 1.399 178.218 176.870 -0.085 0.000 1.227 656 L CA 0.634 55.408 54.840 -0.109 0.000 0.815 656 L CB 0.235 42.085 42.059 -0.348 0.000 1.111 656 L HN 0.400 8.557 8.230 0.090 0.127 0.613 657 Q N -1.743 117.977 119.800 -0.134 0.000 2.423 657 Q HA 0.013 4.317 4.340 -0.060 0.000 0.231 657 Q C -1.195 174.752 176.000 -0.087 0.000 0.894 657 Q CA 0.823 56.572 55.803 -0.090 0.000 0.938 657 Q CB 1.242 29.926 28.738 -0.091 0.000 1.079 657 Q HN 0.193 8.335 8.270 -0.212 0.000 0.552 658 D N -5.279 115.044 120.400 -0.129 0.000 2.955 658 D HA -0.109 4.470 4.640 -0.102 0.000 0.114 658 D C -1.566 174.645 176.300 -0.149 0.000 0.825 658 D CA 0.077 54.011 54.000 -0.110 0.000 1.704 658 D CB -1.127 39.632 40.800 -0.068 0.000 3.218 658 D HN -0.620 7.599 8.370 -0.186 0.039 0.879 659 V N 0.359 120.164 119.914 -0.182 0.000 4.391 659 V HA -0.234 3.685 4.120 -0.335 0.000 0.414 659 V C -0.203 175.748 176.094 -0.237 0.000 1.205 659 V CA 0.850 63.017 62.300 -0.222 0.000 1.719 659 V CB 0.644 32.394 31.823 -0.123 0.000 1.774 659 V HN 0.425 8.520 8.190 -0.157 0.000 0.466 660 P HA 0.082 4.339 4.420 -0.271 0.000 0.271 660 P C -0.848 176.396 177.300 -0.094 0.000 1.535 660 P CA -0.865 62.019 63.100 -0.360 0.000 0.820 660 P CB -1.126 30.020 31.700 -0.923 0.000 1.606 661 G N -0.668 108.098 108.800 -0.057 0.000 2.785 661 G HA2 -0.316 3.650 3.960 0.010 0.000 0.685 661 G HA3 -0.316 3.673 3.960 0.049 0.000 0.685 661 G C 0.236 175.187 174.900 0.086 0.000 1.480 661 G CA -0.599 44.517 45.100 0.025 0.000 0.915 661 G HN -0.646 7.413 8.290 -0.103 0.168 0.576 662 E N -1.206 119.043 120.200 0.082 0.000 2.461 662 E HA -0.252 4.173 4.350 0.125 0.000 0.196 662 E C -0.368 176.311 176.600 0.130 0.000 1.129 662 E CA 1.104 57.567 56.400 0.106 0.000 0.902 662 E CB -0.510 29.235 29.700 0.074 0.000 0.963 662 E HN 0.504 8.899 8.360 0.059 0.000 0.503 663 E N -3.618 116.676 120.200 0.156 0.000 2.601 663 E HA 0.168 4.591 4.350 0.121 0.000 0.219 663 E C -0.361 176.383 176.600 0.240 0.000 0.964 663 E CA -1.384 55.109 56.400 0.155 0.000 1.050 663 E CB 0.285 30.056 29.700 0.118 0.000 1.068 663 E HN -0.336 7.971 8.360 0.160 0.148 0.496 664 W N 2.939 124.272 121.300 0.055 0.000 1.918 664 W HA -0.294 4.461 4.660 0.159 0.000 0.355 664 W C -1.381 175.208 176.519 0.115 0.000 1.368 664 W CA 2.292 59.673 57.345 0.060 0.000 1.412 664 W CB 0.957 30.349 29.460 -0.113 0.000 1.309 664 W HN -0.307 7.946 8.180 0.372 0.150 0.667 665 S N 0.229 115.502 115.700 -0.711 0.000 2.689 665 S HA 0.233 4.356 4.470 -0.579 0.000 0.151 665 S C -1.271 172.570 174.600 -1.266 0.000 1.155 665 S CA -0.363 57.387 58.200 -0.749 0.000 1.144 665 S CB -0.275 62.756 63.200 -0.282 0.000 1.526 665 S HN -0.003 7.393 8.310 -1.523 0.000 0.419 666 C N 1.955 119.988 119.300 -2.113 0.000 0.168 666 C HA -0.459 2.812 4.460 -1.982 0.000 0.017 666 C C -0.137 174.424 174.990 -0.715 0.000 0.171 666 C CA 2.153 60.278 59.018 -1.489 0.000 0.499 666 C CB -0.564 26.874 27.740 -0.502 0.000 3.212 666 C HN 0.826 7.672 8.230 -2.306 0.000 1.118 667 S N 0.737 116.401 115.700 -0.060 0.000 2.506 667 S HA 0.006 4.681 4.470 0.180 -0.098 0.219 667 S C 1.034 175.648 174.600 0.024 0.000 1.031 667 S CA 1.701 59.996 58.200 0.160 0.000 0.911 667 S CB 0.328 63.682 63.200 0.256 0.000 0.812 667 S HN 0.327 8.615 8.310 -0.037 0.000 0.497 668 L N -2.798 118.412 121.223 -0.021 0.000 2.418 668 L HA 0.013 4.355 4.340 0.003 0.000 0.218 668 L C 0.894 177.706 176.870 -0.096 0.000 1.125 668 L CA 1.977 56.800 54.840 -0.030 0.000 0.835 668 L CB -0.307 41.749 42.059 -0.004 0.000 0.953 668 L HN -0.049 8.163 8.230 -0.030 0.000 0.454 669 C N -4.579 114.621 119.300 -0.167 0.000 2.964 669 C HA 0.050 4.417 4.460 -0.155 0.000 0.358 669 C C 0.651 175.549 174.990 -0.152 0.000 1.289 669 C CA 1.151 60.052 59.018 -0.194 0.000 1.856 669 C CB -0.583 26.981 27.740 -0.293 0.000 2.488 669 C HN -0.239 7.888 8.230 -0.202 -0.019 0.604 670 H N -1.586 117.327 119.070 -0.262 0.000 2.735 670 H HA -0.005 4.467 4.556 -0.140 0.000 0.250 670 H C -0.326 174.969 175.328 -0.055 0.000 0.948 670 H CA 0.333 56.273 56.048 -0.180 0.000 1.137 670 H CB 2.990 32.573 29.762 -0.298 0.000 1.440 670 H HN -0.000 8.015 8.280 -0.138 0.182 0.444 671 V N -1.647 118.370 119.914 0.172 0.000 3.912 671 V HA -0.437 3.804 4.120 0.150 -0.031 0.553 671 V C -1.195 175.024 176.094 0.208 0.000 0.768 671 V CA 1.156 63.550 62.300 0.156 0.000 2.131 671 V CB 0.989 32.856 31.823 0.074 0.000 2.490 671 V HN -0.870 7.260 8.190 0.085 0.111 0.525 672 L N 0.245 121.546 121.223 0.130 0.000 2.685 672 L HA -0.125 4.273 4.340 0.095 0.000 0.305 672 L C -1.687 175.266 176.870 0.138 0.000 1.258 672 L CA 0.457 55.359 54.840 0.104 0.000 0.876 672 L CB -0.283 41.808 42.059 0.053 0.000 1.124 672 L HN 0.176 8.456 8.230 0.084 0.000 0.507 673 P HA -0.045 4.470 4.420 0.157 0.000 0.264 673 P C -0.653 176.712 177.300 0.109 0.000 1.236 673 P CA 0.241 63.401 63.100 0.101 0.000 0.811 673 P CB 0.189 31.907 31.700 0.030 0.000 0.840 674 D N 4.977 125.472 120.400 0.160 0.000 2.349 674 D HA -0.139 4.538 4.640 0.061 0.000 0.224 674 D C 1.271 177.612 176.300 0.068 0.000 1.029 674 D CA 0.291 54.344 54.000 0.090 0.000 0.879 674 D CB 0.154 40.993 40.800 0.065 0.000 0.906 674 D HN 0.055 8.591 8.370 0.276 0.000 0.528 675 L N -2.189 119.086 121.223 0.087 0.000 2.556 675 L HA -0.243 4.133 4.340 0.060 0.000 0.230 675 L C 0.908 177.798 176.870 0.033 0.000 1.163 675 L CA 1.400 56.276 54.840 0.060 0.000 0.819 675 L CB -1.412 40.682 42.059 0.059 0.000 0.939 675 L HN 0.084 8.294 8.230 0.119 0.091 0.452 676 K N -3.906 116.510 120.400 0.028 0.000 2.362 676 K HA -0.277 4.052 4.320 0.013 0.000 0.202 676 K C 0.751 177.358 176.600 0.011 0.000 1.045 676 K CA 1.048 57.345 56.287 0.016 0.000 0.936 676 K CB -0.283 32.224 32.500 0.012 0.000 0.747 676 K HN -0.126 8.036 8.250 0.035 0.110 0.467 677 E N -4.895 115.313 120.200 0.013 0.000 3.989 677 E HA -0.550 3.804 4.350 0.007 0.000 0.213 677 E C -0.075 176.526 176.600 0.002 0.000 1.243 677 E CA 2.985 59.390 56.400 0.007 0.000 2.156 677 E CB -1.480 28.224 29.700 0.007 0.000 1.852 677 E HN -0.266 8.032 8.360 0.019 0.073 0.298 678 E N -0.707 119.493 120.200 0.001 0.000 4.068 678 E HA -0.104 4.244 4.350 -0.003 0.000 0.355 678 E C -0.276 176.322 176.600 -0.003 0.000 1.511 678 E CA 0.012 56.411 56.400 -0.002 0.000 1.957 678 E CB 0.486 30.185 29.700 -0.002 0.000 1.345 678 E HN -0.156 8.186 8.360 0.002 0.019 0.796 679 D N -5.728 114.670 120.400 -0.004 0.000 2.782 679 D HA -0.300 4.562 4.640 -0.006 -0.225 0.231 679 D C 0.803 177.099 176.300 -0.007 0.000 1.163 679 D CA 0.527 54.524 54.000 -0.005 0.000 0.680 679 D CB -1.523 39.275 40.800 -0.004 0.000 1.062 679 D HN 0.236 8.604 8.370 -0.004 0.000 0.425 680 G N -4.385 104.411 108.800 -0.008 0.000 2.509 680 G HA2 -0.261 3.693 3.960 -0.011 0.000 0.218 680 G HA3 -0.261 3.692 3.960 -0.012 0.000 0.218 680 G C 0.529 175.421 174.900 -0.013 0.000 1.124 680 G CA 0.298 45.392 45.100 -0.011 0.000 0.776 680 G HN 0.424 8.675 8.290 -0.008 0.035 0.547 681 S N -3.155 112.537 115.700 -0.012 0.000 2.923 681 S HA -0.007 4.455 4.470 -0.014 0.000 0.193 681 S C -1.617 172.977 174.600 -0.011 0.000 0.775 681 S CA 0.592 58.785 58.200 -0.013 0.000 1.205 681 S CB 0.706 63.897 63.200 -0.015 0.000 1.330 681 S HN -0.456 7.794 8.310 -0.010 0.054 0.555 682 L N 2.720 123.938 121.223 -0.009 0.000 2.491 682 L HA 0.313 4.648 4.340 -0.008 0.000 0.267 682 L C -1.323 175.543 176.870 -0.007 0.000 0.971 682 L CA 0.366 55.201 54.840 -0.008 0.000 0.857 682 L CB 1.463 43.518 42.059 -0.007 0.000 1.226 682 L HN -0.496 7.729 8.230 -0.009 0.000 0.408 683 S N 6.172 121.869 115.700 -0.006 0.000 2.208 683 S HA -0.002 4.465 4.470 -0.005 0.000 0.234 683 S C 0.699 175.296 174.600 -0.005 0.000 0.907 683 S CA 0.674 58.871 58.200 -0.005 0.000 1.616 683 S CB 0.581 63.778 63.200 -0.005 0.000 1.218 683 S HN 0.551 8.857 8.310 -0.007 0.000 0.588 684 L N 2.515 123.735 121.223 -0.006 0.000 3.412 684 L HA -0.336 4.001 4.340 -0.006 0.000 0.253 684 L C -2.202 174.665 176.870 -0.005 0.000 4.367 684 L CA 2.137 56.974 54.840 -0.005 0.000 0.793 684 L CB -0.535 41.522 42.059 -0.004 0.000 3.488 684 L HN 0.028 8.255 8.230 -0.006 0.000 0.786 685 D N -1.948 118.449 120.400 -0.005 0.000 2.266 685 D HA -0.041 4.596 4.640 -0.005 0.000 0.174 685 D C -1.759 174.538 176.300 -0.004 0.000 1.096 685 D CA 0.509 54.506 54.000 -0.005 0.000 0.853 685 D CB 0.940 41.737 40.800 -0.004 0.000 3.128 685 D HN -0.098 8.191 8.370 -0.005 0.078 0.484 686 G N 3.127 111.924 108.800 -0.004 0.000 3.481 686 G HA2 0.166 4.124 3.960 -0.004 0.000 0.180 686 G HA3 0.166 4.124 3.960 -0.004 0.000 0.180 686 G C -1.007 173.890 174.900 -0.004 0.000 1.345 686 G CA 0.942 46.039 45.100 -0.004 0.000 1.104 686 G HN 0.322 8.609 8.290 -0.005 0.000 0.749 687 A N -1.141 121.677 122.820 -0.005 0.000 2.063 687 A HA 0.171 4.488 4.320 -0.005 0.000 0.211 687 A C -1.285 176.296 177.584 -0.006 0.000 1.177 687 A CA 0.948 52.982 52.037 -0.005 0.000 0.759 687 A CB 0.692 19.689 19.000 -0.005 0.000 0.857 687 A HN -0.034 8.113 8.150 -0.004 0.000 0.468 688 D N -3.660 116.736 120.400 -0.006 0.000 2.625 688 D HA -0.010 4.626 4.640 -0.008 0.000 0.203 688 D C -1.320 174.975 176.300 -0.007 0.000 1.230 688 D CA 0.581 54.577 54.000 -0.007 0.000 0.784 688 D CB 1.276 42.072 40.800 -0.008 0.000 1.936 688 D HN -0.520 7.846 8.370 -0.005 0.000 0.522 689 S N 3.649 119.344 115.700 -0.009 0.000 3.369 689 S HA 0.203 4.668 4.470 -0.009 0.000 0.251 689 S C -0.325 174.267 174.600 -0.014 0.000 1.093 689 S CA 0.400 58.594 58.200 -0.010 0.000 0.952 689 S CB 0.369 63.563 63.200 -0.009 0.000 0.965 689 S HN 0.254 8.558 8.310 -0.010 0.000 0.436 690 T N 0.362 114.907 114.554 -0.014 0.000 3.123 690 T HA 0.227 4.564 4.350 -0.022 0.000 0.259 690 T C -1.733 172.957 174.700 -0.017 0.000 0.871 690 T CA 1.139 63.228 62.100 -0.018 0.000 0.857 690 T CB 1.627 70.484 68.868 -0.018 0.000 1.267 690 T HN -0.072 8.161 8.240 -0.012 0.000 0.556 691 G N 0.603 109.395 108.800 -0.012 0.000 2.562 691 G HA2 0.134 4.087 3.960 -0.011 0.000 0.298 691 G HA3 0.134 4.089 3.960 -0.008 0.000 0.298 691 G C -1.031 173.865 174.900 -0.006 0.000 1.499 691 G CA 0.421 45.516 45.100 -0.009 0.000 1.036 691 G HN -0.748 7.535 8.290 -0.011 0.000 0.543 692 V N 3.788 123.698 119.914 -0.007 0.000 3.235 692 V HA -0.043 4.074 4.120 -0.005 0.000 0.259 692 V C -0.733 175.359 176.094 -0.002 0.000 1.133 692 V CA 0.925 63.222 62.300 -0.005 0.000 1.128 692 V CB 0.664 32.482 31.823 -0.007 0.000 0.757 692 V HN 0.386 8.571 8.190 -0.009 0.000 0.469 693 V N -6.737 113.177 119.914 -0.000 0.000 3.062 693 V HA -0.002 4.121 4.120 0.005 0.000 0.230 693 V C -1.144 174.955 176.094 0.010 0.000 1.664 693 V CA 0.218 62.521 62.300 0.005 0.000 1.076 693 V CB 0.438 32.264 31.823 0.006 0.000 1.030 693 V HN -0.677 7.464 8.190 -0.001 0.048 0.437 694 A N -2.627 120.198 122.820 0.008 0.000 2.847 694 A HA -0.332 3.991 4.320 0.005 0.000 0.263 694 A C -0.369 177.231 177.584 0.025 0.000 1.391 694 A CA 1.209 53.252 52.037 0.011 0.000 0.866 694 A CB -2.142 16.863 19.000 0.008 0.000 1.057 694 A HN -0.120 8.032 8.150 0.003 0.000 0.673 695 K N -2.450 117.969 120.400 0.031 0.000 1.984 695 K HA -0.230 4.123 4.320 0.054 0.000 0.219 695 K C 0.795 177.437 176.600 0.070 0.000 1.033 695 K CA 2.055 58.373 56.287 0.051 0.000 0.983 695 K CB 0.040 32.569 32.500 0.049 0.000 0.762 695 K HN -0.218 7.981 8.250 0.023 0.064 0.445 696 L N -2.712 118.555 121.223 0.074 0.000 2.558 696 L HA -0.022 4.492 4.340 0.120 -0.102 0.225 696 L C -0.674 176.220 176.870 0.040 0.000 1.128 696 L CA -0.222 54.673 54.840 0.091 0.000 0.868 696 L CB 0.276 42.405 42.059 0.116 0.000 1.006 696 L HN 0.130 8.396 8.230 0.060 0.000 0.454 697 S N -2.397 113.315 115.700 0.020 0.000 3.339 697 S HA -0.147 4.321 4.470 -0.003 0.000 0.856 697 S C -1.120 173.468 174.600 -0.020 0.000 1.139 697 S CA 0.218 58.415 58.200 -0.005 0.000 1.044 697 S CB 0.509 63.700 63.200 -0.016 0.000 0.721 697 S HN -0.400 7.938 8.310 0.027 -0.011 0.267 698 P HA -0.310 4.095 4.420 -0.025 0.000 0.216 698 P C 0.466 177.741 177.300 -0.042 0.000 1.167 698 P CA 2.985 66.068 63.100 -0.029 0.000 0.914 698 P CB 0.193 31.878 31.700 -0.026 0.000 0.793 699 A N -2.478 120.309 122.820 -0.055 0.000 1.935 699 A HA -0.202 4.080 4.320 -0.064 0.000 0.214 699 A C 1.686 179.203 177.584 -0.112 0.000 1.178 699 A CA 2.324 54.314 52.037 -0.078 0.000 0.640 699 A CB -0.601 18.346 19.000 -0.088 0.000 0.825 699 A HN 0.294 8.413 8.150 -0.052 0.000 0.447 700 N N -2.179 116.453 118.700 -0.115 0.000 2.309 700 N HA -0.383 4.198 4.740 -0.265 0.000 0.182 700 N C 2.062 177.540 175.510 -0.053 0.000 1.018 700 N CA 3.236 56.206 53.050 -0.134 0.000 0.876 700 N CB -0.286 38.150 38.487 -0.084 0.000 0.972 700 N HN -0.337 7.990 8.380 -0.087 0.000 0.434 701 Q N 0.554 120.326 119.800 -0.045 0.000 2.123 701 Q HA -0.161 4.159 4.340 -0.033 0.000 0.199 701 Q C 2.485 178.426 176.000 -0.097 0.000 0.966 701 Q CA 2.556 58.328 55.803 -0.051 0.000 0.845 701 Q CB -0.282 28.435 28.738 -0.036 0.000 0.907 701 Q HN 0.524 8.634 8.270 -0.048 0.131 0.439 702 R N -1.321 119.131 120.500 -0.080 0.000 2.120 702 R HA -0.245 4.174 4.340 -0.079 -0.126 0.234 702 R C 2.384 178.639 176.300 -0.075 0.000 1.123 702 R CA 2.048 58.103 56.100 -0.075 0.000 0.975 702 R CB -0.698 29.570 30.300 -0.053 0.000 0.866 702 R HN -0.517 7.607 8.270 -0.069 0.105 0.446 703 K N -1.341 119.019 120.400 -0.067 0.000 2.031 703 K HA -0.170 4.162 4.320 0.021 0.000 0.205 703 K C 2.281 178.882 176.600 0.002 0.000 1.049 703 K CA 1.983 58.282 56.287 0.020 0.000 0.939 703 K CB -0.788 31.734 32.500 0.037 0.000 0.717 703 K HN 0.008 8.061 8.250 -0.085 0.145 0.438 704 C N -3.142 116.055 119.300 -0.171 0.000 2.432 704 C HA -0.140 4.013 4.460 -0.512 0.000 0.280 704 C C 1.592 176.154 174.990 -0.714 0.000 1.353 704 C CA 1.762 60.316 59.018 -0.773 0.000 1.766 704 C CB -0.832 26.127 27.740 -1.301 0.000 1.924 704 C HN -0.396 7.759 8.230 -0.124 0.000 0.509 705 E N 0.278 120.271 120.200 -0.346 0.000 2.285 705 E HA -0.252 3.957 4.350 -0.235 0.000 0.194 705 E C 2.195 178.737 176.600 -0.097 0.000 0.997 705 E CA 2.598 58.869 56.400 -0.216 0.000 0.845 705 E CB -0.394 29.200 29.700 -0.177 0.000 0.782 705 E HN -0.039 7.955 8.360 -0.264 0.207 0.491 706 R N -2.967 117.504 120.500 -0.048 0.000 2.276 706 R HA -0.228 4.134 4.340 0.038 0.000 0.203 706 R C 1.682 178.050 176.300 0.113 0.000 1.017 706 R CA 2.168 58.289 56.100 0.035 0.000 1.010 706 R CB -0.341 29.983 30.300 0.040 0.000 0.900 706 R HN -0.680 7.404 8.270 -0.078 0.140 0.469 707 V N 1.906 121.893 119.914 0.122 0.000 2.423 707 V HA -0.202 4.107 4.120 0.315 0.000 0.233 707 V C 1.474 177.854 176.094 0.478 0.000 1.067 707 V CA 3.128 65.628 62.300 0.333 0.000 1.073 707 V CB 0.432 32.559 31.823 0.507 0.000 0.715 707 V HN -0.519 7.530 8.190 -0.010 0.135 0.485 708 L N -0.939 120.608 121.223 0.540 0.000 2.123 708 L HA -0.340 4.381 4.340 0.634 0.000 0.217 708 L C 2.043 179.200 176.870 0.478 0.000 1.081 708 L CA 3.204 58.368 54.840 0.540 0.000 0.772 708 L CB -1.585 40.703 42.059 0.382 0.000 0.890 708 L HN 0.284 8.782 8.230 0.447 0.000 0.437 709 L N -1.172 120.191 121.223 0.233 0.000 1.988 709 L HA -0.326 4.101 4.340 0.144 0.000 0.207 709 L C 0.838 177.972 176.870 0.440 0.000 1.071 709 L CA 3.105 58.093 54.840 0.246 0.000 0.744 709 L CB -1.035 41.106 42.059 0.137 0.000 0.893 709 L HN -0.575 7.737 8.230 0.138 0.000 0.433 710 A N -1.213 121.867 122.820 0.434 0.000 1.915 710 A HA -0.420 4.350 4.320 0.750 0.000 0.220 710 A C 2.423 180.170 177.584 0.273 0.000 1.198 710 A CA 2.863 55.269 52.037 0.616 0.000 0.647 710 A CB -1.054 18.316 19.000 0.617 0.000 0.825 710 A HN -0.618 7.571 8.150 0.354 0.173 0.456 711 L N -2.475 118.863 121.223 0.191 0.000 1.955 711 L HA -0.482 3.221 4.340 -1.061 0.000 0.213 711 L C 2.750 179.427 176.870 -0.321 0.000 1.072 711 L CA 2.627 57.305 54.840 -0.270 0.000 0.755 711 L CB -0.605 41.675 42.059 0.369 0.000 0.888 711 L HN 0.334 8.727 8.230 0.449 0.106 0.432 712 F N -0.580 119.387 119.950 0.028 0.000 2.053 712 F HA -0.372 4.601 4.527 0.742 0.000 0.295 712 F C 3.135 179.011 175.800 0.126 0.000 1.102 712 F CA 3.463 61.635 58.000 0.287 0.000 1.225 712 F CB -0.628 38.526 39.000 0.255 0.000 0.961 712 F HN 0.440 8.892 8.300 0.539 0.172 0.495 713 C N -4.668 114.777 119.300 0.241 0.000 2.385 713 C HA -0.390 4.042 4.460 -0.179 -0.080 0.275 713 C C 0.361 175.246 174.990 -0.176 0.000 1.207 713 C CA 3.217 62.217 59.018 -0.032 0.000 1.760 713 C CB -0.180 27.680 27.740 0.200 0.000 2.051 713 C HN -0.022 8.458 8.230 0.416 0.000 0.467 714 H N -1.523 117.444 119.070 -0.172 0.000 2.548 714 H HA -0.047 4.340 4.556 -0.283 0.000 0.366 714 H C 0.080 175.297 175.328 -0.185 0.000 1.433 714 H CA -0.968 54.907 56.048 -0.288 0.000 1.443 714 H CB 0.647 30.072 29.762 -0.563 0.000 1.594 714 H HN -0.337 7.487 8.280 -0.609 0.090 0.608 715 E N -0.950 119.273 120.200 0.040 0.000 2.042 715 E HA -0.019 4.293 4.350 -0.064 0.000 0.189 715 E C 0.224 176.843 176.600 0.032 0.000 0.974 715 E CA 3.666 60.056 56.400 -0.017 0.000 0.806 715 E CB -2.248 27.429 29.700 -0.040 0.000 0.769 715 E HN 0.551 8.912 8.360 0.002 0.000 0.451 716 P HA -0.245 4.350 4.420 0.292 0.000 0.218 716 P C 1.109 178.482 177.300 0.120 0.000 1.152 716 P CA 2.808 66.020 63.100 0.187 0.000 0.857 716 P CB -0.587 31.151 31.700 0.062 0.000 0.787 717 C N -4.502 114.928 119.300 0.216 0.000 2.446 717 C HA -0.248 4.173 4.460 -0.065 0.000 0.277 717 C C 1.758 176.743 174.990 -0.008 0.000 1.275 717 C CA 1.648 60.750 59.018 0.139 0.000 1.727 717 C CB -1.429 26.511 27.740 0.335 0.000 2.010 717 C HN -0.088 8.428 8.230 0.502 0.015 0.486 718 R N 1.161 121.540 120.500 -0.201 0.000 2.162 718 R HA -0.285 3.495 4.340 -0.933 0.000 0.245 718 R C -0.297 175.866 176.300 -0.228 0.000 1.129 718 R CA 3.711 59.559 56.100 -0.420 0.000 0.940 718 R CB -3.475 26.658 30.300 -0.279 0.000 0.875 718 R HN 0.154 8.257 8.270 -0.107 0.103 0.437 719 P HA -0.168 4.231 4.420 -0.034 0.000 0.215 719 P C 1.926 179.115 177.300 -0.184 0.000 1.157 719 P CA 2.802 65.857 63.100 -0.076 0.000 0.874 719 P CB -0.313 31.455 31.700 0.114 0.000 0.790 720 L N -2.709 118.254 121.223 -0.433 0.000 1.989 720 L HA -0.562 3.493 4.340 -0.475 0.000 0.211 720 L C 1.480 178.266 176.870 -0.140 0.000 1.071 720 L CA 2.820 57.408 54.840 -0.421 0.000 0.749 720 L CB -0.363 41.393 42.059 -0.504 0.000 0.890 720 L HN -0.750 7.068 8.230 -0.559 0.077 0.431 721 H N -6.308 112.590 119.070 -0.286 0.000 2.444 721 H HA -0.376 4.069 4.556 -0.294 -0.065 0.294 721 H C 0.660 175.892 175.328 -0.160 0.000 1.125 721 H CA 2.525 58.408 56.048 -0.274 0.000 1.230 721 H CB 0.331 29.880 29.762 -0.354 0.000 1.361 721 H HN 0.001 8.280 8.280 0.196 0.119 0.508 722 Q N -3.854 115.948 119.800 0.003 0.000 2.533 722 Q HA 0.267 4.606 4.340 -0.002 0.000 0.251 722 Q C -1.862 174.130 176.000 -0.014 0.000 0.966 722 Q CA -0.711 55.088 55.803 -0.007 0.000 0.714 722 Q CB 0.426 29.162 28.738 -0.004 0.000 1.284 722 Q HN -0.729 7.390 8.270 -0.014 0.143 0.478 723 L N -0.274 120.944 121.223 -0.009 0.000 2.713 723 L HA 0.225 4.577 4.340 0.020 0.000 0.223 723 L C 0.484 177.366 176.870 0.020 0.000 1.040 723 L CA -0.234 54.613 54.840 0.011 0.000 0.894 723 L CB 1.237 43.305 42.059 0.015 0.000 1.361 723 L HN -0.450 7.773 8.230 -0.011 0.000 0.490 724 A N 0.175 123.005 122.820 0.016 0.000 2.325 724 A HA -0.041 4.293 4.320 0.024 0.000 0.260 724 A C 0.093 177.692 177.584 0.026 0.000 1.133 724 A CA 0.660 52.711 52.037 0.023 0.000 0.801 724 A CB 0.752 19.767 19.000 0.025 0.000 1.092 724 A HN -0.739 7.581 8.150 0.008 -0.165 0.504 725 T N -6.373 108.201 114.554 0.033 0.000 3.132 725 T HA 0.031 4.399 4.350 0.029 0.000 0.274 725 T C 0.605 175.333 174.700 0.046 0.000 1.011 725 T CA -1.459 60.662 62.100 0.035 0.000 0.899 725 T CB 0.753 69.642 68.868 0.034 0.000 1.089 725 T HN 0.102 8.364 8.240 0.036 0.000 0.543 726 D N 3.143 123.574 120.400 0.052 0.000 2.632 726 D HA -0.543 4.148 4.640 0.084 0.000 0.588 726 D C 0.759 177.103 176.300 0.075 0.000 0.941 726 D CA 2.947 56.987 54.000 0.067 0.000 1.653 726 D CB 0.023 40.853 40.800 0.050 0.000 0.356 726 D HN 0.219 8.502 8.370 0.044 0.113 0.482 727 S N -1.685 114.043 115.700 0.048 0.000 4.159 727 S HA -0.337 4.146 4.470 0.023 0.000 0.536 727 S C -0.093 174.520 174.600 0.021 0.000 1.861 727 S CA 2.283 60.504 58.200 0.035 0.000 4.246 727 S CB -0.437 62.789 63.200 0.043 0.000 0.268 727 S HN 0.188 8.521 8.310 0.038 0.000 0.454 728 T N 2.074 116.644 114.554 0.027 0.000 3.884 728 T HA 0.163 4.493 4.350 -0.035 0.000 0.284 728 T C -1.588 173.079 174.700 -0.054 0.000 0.961 728 T CA 0.411 62.485 62.100 -0.043 0.000 1.071 728 T CB 1.097 69.895 68.868 -0.116 0.000 1.121 728 T HN -0.236 8.035 8.240 0.064 0.008 0.496 729 F N 3.346 123.301 119.950 0.008 0.000 3.240 729 F HA 0.179 4.712 4.527 0.011 0.000 0.370 729 F C -1.901 173.907 175.800 0.013 0.000 1.271 729 F CA -0.509 57.498 58.000 0.010 0.000 1.224 729 F CB 1.967 40.972 39.000 0.010 0.000 1.624 729 F HN -0.152 8.149 8.300 0.175 0.104 0.658 730 S N 3.735 119.634 115.700 0.333 0.000 2.126 730 S HA 0.042 4.706 4.470 0.120 -0.122 0.242 730 S C 0.798 175.494 174.600 0.159 0.000 0.898 730 S CA 0.752 59.054 58.200 0.169 0.000 1.395 730 S CB 1.370 64.637 63.200 0.112 0.000 0.966 730 S HN 0.181 8.734 8.310 0.404 0.000 0.435 731 L N -0.311 121.017 121.223 0.175 0.000 2.127 731 L HA -0.127 4.266 4.340 0.088 0.000 0.211 731 L C -0.592 176.371 176.870 0.155 0.000 1.089 731 L CA 2.214 57.131 54.840 0.129 0.000 0.757 731 L CB -0.890 41.224 42.059 0.091 0.000 0.899 731 L HN -0.242 8.101 8.230 0.189 0.000 0.434 732 D N -7.859 112.675 120.400 0.223 0.000 2.742 732 D HA -0.003 4.707 4.640 0.118 0.000 0.302 732 D C -1.103 175.237 176.300 0.066 0.000 1.588 732 D CA -0.242 53.860 54.000 0.170 0.000 0.873 732 D CB 0.363 41.278 40.800 0.192 0.000 1.418 732 D HN -0.444 8.089 8.370 0.328 0.034 0.420 733 Q N -0.287 119.517 119.800 0.007 0.000 2.539 733 Q HA -0.049 3.529 4.340 -1.270 0.000 0.268 733 Q C -1.169 174.643 176.000 -0.314 0.000 1.109 733 Q CA 0.217 55.758 55.803 -0.436 0.000 0.968 733 Q CB 0.144 28.767 28.738 -0.191 0.000 1.309 733 Q HN -0.413 7.825 8.270 0.167 0.133 0.497 734 P HA -0.043 4.272 4.420 -0.175 0.000 0.235 734 P C -0.813 176.404 177.300 -0.138 0.000 1.765 734 P CA -0.150 62.814 63.100 -0.226 0.000 1.034 734 P CB -2.181 29.376 31.700 -0.238 0.000 1.984 735 G N 0.407 109.148 108.800 -0.099 0.000 2.334 735 G HA2 -0.336 3.595 3.960 -0.048 0.000 0.279 735 G HA3 -0.336 3.591 3.960 -0.055 0.000 0.279 735 G C -0.327 174.538 174.900 -0.058 0.000 0.918 735 G CA 0.187 45.249 45.100 -0.063 0.000 1.314 735 G HN 0.001 8.178 8.290 -0.097 0.054 0.463 736 G N -0.566 108.200 108.800 -0.057 0.000 2.662 736 G HA2 -0.158 3.774 3.960 -0.047 0.000 0.215 736 G HA3 -0.158 4.060 3.960 -0.032 -0.277 0.215 736 G C -0.452 174.439 174.900 -0.014 0.000 1.310 736 G CA 1.428 46.505 45.100 -0.038 0.000 0.849 736 G HN -0.128 8.127 8.290 -0.058 0.000 0.568 737 T N -2.878 111.674 114.554 -0.003 0.000 3.245 737 T HA 0.095 4.577 4.350 0.007 -0.127 0.261 737 T C -1.022 173.676 174.700 -0.004 0.000 0.842 737 T CA 0.689 62.792 62.100 0.005 0.000 0.858 737 T CB 0.956 69.834 68.868 0.017 0.000 1.262 737 T HN -0.285 8.064 8.240 0.000 -0.109 0.587 738 L N -3.847 117.377 121.223 0.002 0.000 5.886 738 L HA -0.413 3.940 4.340 0.022 0.000 0.258 738 L C -2.155 174.703 176.870 -0.020 0.000 1.210 738 L CA 1.533 56.374 54.840 0.001 0.000 1.438 738 L CB -0.390 41.662 42.059 -0.011 0.000 2.185 738 L HN -0.520 7.716 8.230 0.010 0.000 0.893 739 D N -8.453 111.927 120.400 -0.033 0.000 2.993 739 D HA 0.021 4.598 4.640 -0.105 0.000 0.284 739 D C 0.033 176.294 176.300 -0.064 0.000 1.172 739 D CA -0.699 53.259 54.000 -0.069 0.000 0.729 739 D CB 2.043 42.811 40.800 -0.054 0.000 1.270 739 D HN -0.441 7.921 8.370 -0.014 0.000 0.436 740 L N -1.013 120.124 121.223 -0.142 0.000 2.010 740 L HA -0.366 3.997 4.340 0.037 0.000 0.219 740 L C 1.834 178.742 176.870 0.063 0.000 1.077 740 L CA 3.974 58.753 54.840 -0.103 0.000 0.773 740 L CB -1.179 40.491 42.059 -0.648 0.000 0.892 740 L HN 0.503 8.615 8.230 -0.197 0.000 0.436 741 T N -3.018 111.520 114.554 -0.027 0.000 2.788 741 T HA -0.392 4.096 4.350 0.231 0.000 0.268 741 T C 1.886 176.637 174.700 0.086 0.000 1.044 741 T CA 3.546 65.704 62.100 0.097 0.000 1.139 741 T CB 0.102 69.008 68.868 0.063 0.000 0.867 741 T HN -0.592 7.549 8.240 -0.159 0.004 0.454 742 L N 2.994 124.250 121.223 0.055 0.000 1.944 742 L HA -0.340 4.030 4.340 0.049 0.000 0.218 742 L C 1.911 178.832 176.870 0.085 0.000 1.075 742 L CA 2.875 57.750 54.840 0.059 0.000 0.767 742 L CB -0.987 41.102 42.059 0.050 0.000 0.890 742 L HN -0.413 7.976 8.230 0.024 -0.145 0.434 743 I N -2.626 118.029 120.570 0.142 0.000 2.248 743 I HA -0.518 3.880 4.170 0.381 0.000 0.248 743 I C 2.687 178.946 176.117 0.237 0.000 1.107 743 I CA 3.929 65.394 61.300 0.276 0.000 1.373 743 I CB -0.492 37.697 38.000 0.314 0.000 1.055 743 I HN 0.041 8.316 8.210 0.108 0.000 0.418 744 R N 0.316 120.935 120.500 0.199 0.000 2.075 744 R HA -0.440 3.986 4.340 0.144 0.000 0.232 744 R C 1.973 178.296 176.300 0.038 0.000 1.126 744 R CA 3.510 59.694 56.100 0.141 0.000 0.963 744 R CB -0.443 29.979 30.300 0.204 0.000 0.858 744 R HN 0.492 8.635 8.270 0.190 0.241 0.435 745 A N -1.127 121.714 122.820 0.034 0.000 1.933 745 A HA -0.289 4.025 4.320 -0.009 0.000 0.218 745 A C 2.193 179.734 177.584 -0.072 0.000 1.175 745 A CA 2.973 55.004 52.037 -0.010 0.000 0.628 745 A CB -0.681 18.321 19.000 0.003 0.000 0.814 745 A HN 0.358 8.440 8.150 0.067 0.109 0.444 746 R N -0.132 120.289 120.500 -0.132 0.000 2.088 746 R HA -0.280 3.893 4.340 -0.279 0.000 0.232 746 R C 2.907 179.038 176.300 -0.282 0.000 1.136 746 R CA 2.824 58.725 56.100 -0.332 0.000 0.926 746 R CB -0.160 29.677 30.300 -0.770 0.000 0.837 746 R HN -0.600 7.527 8.270 -0.078 0.097 0.429 747 L N -2.796 118.314 121.223 -0.189 0.000 2.051 747 L HA -0.277 4.150 4.340 -0.048 -0.116 0.214 747 L C 1.692 178.511 176.870 -0.084 0.000 1.076 747 L CA 3.019 57.811 54.840 -0.080 0.000 0.758 747 L CB -0.541 41.502 42.059 -0.027 0.000 0.890 747 L HN 0.349 8.392 8.230 -0.133 0.108 0.433 748 Q N -4.697 115.056 119.800 -0.078 0.000 2.245 748 Q HA -0.119 4.178 4.340 -0.071 0.000 0.201 748 Q C 0.642 176.606 176.000 -0.060 0.000 0.955 748 Q CA 1.122 56.885 55.803 -0.067 0.000 0.870 748 Q CB 1.169 29.873 28.738 -0.055 0.000 0.945 748 Q HN -0.007 7.982 8.270 -0.072 0.238 0.461 749 E N -4.926 115.230 120.200 -0.073 0.000 3.927 749 E HA -0.424 3.924 4.350 -0.079 -0.045 0.330 749 E C -0.865 175.707 176.600 -0.046 0.000 0.751 749 E CA 1.235 57.598 56.400 -0.063 0.000 1.254 749 E CB -1.467 28.204 29.700 -0.047 0.000 1.643 749 E HN 0.352 8.391 8.360 -0.095 0.264 0.430 750 K N -1.903 118.472 120.400 -0.042 0.000 2.057 750 K HA -0.234 4.073 4.320 -0.022 0.000 0.207 750 K C 1.077 177.663 176.600 -0.024 0.000 1.049 750 K CA 2.259 58.531 56.287 -0.026 0.000 0.931 750 K CB -0.053 32.437 32.500 -0.016 0.000 0.714 750 K HN -0.001 8.134 8.250 -0.048 0.086 0.440 751 L N -1.946 119.256 121.223 -0.034 0.000 1.863 751 L HA -0.298 4.031 4.340 -0.017 0.000 0.225 751 L C 0.424 177.275 176.870 -0.032 0.000 1.098 751 L CA 2.015 56.836 54.840 -0.032 0.000 0.814 751 L CB 0.487 42.514 42.059 -0.053 0.000 0.888 751 L HN -0.268 7.783 8.230 -0.046 0.151 0.431 752 S N -8.239 107.435 115.700 -0.043 0.000 3.327 752 S HA 0.055 4.508 4.470 -0.028 0.000 0.175 752 S C -1.983 172.597 174.600 -0.034 0.000 0.888 752 S CA -0.021 58.161 58.200 -0.031 0.000 1.332 752 S CB -0.184 63.004 63.200 -0.019 0.000 1.191 752 S HN -0.145 8.127 8.310 -0.064 0.000 0.367 753 P HA 0.501 4.917 4.420 -0.007 0.000 0.263 753 P C -2.248 175.006 177.300 -0.078 0.000 1.448 753 P CA -1.178 61.904 63.100 -0.030 0.000 0.983 753 P CB -0.952 30.749 31.700 0.002 0.000 1.481 754 P HA -0.257 3.925 4.420 -0.434 -0.022 0.268 754 P C 0.136 177.369 177.300 -0.112 0.000 1.134 754 P CA 0.711 63.673 63.100 -0.229 0.000 0.749 754 P CB 0.000 31.633 31.700 -0.111 0.000 0.731 755 Y N 3.115 123.456 120.300 0.067 0.000 2.837 755 Y HA -0.212 4.417 4.550 0.069 -0.038 0.498 755 Y C 0.431 176.368 175.900 0.062 0.000 1.430 755 Y CA 0.588 58.734 58.100 0.076 0.000 2.159 755 Y CB 0.403 38.932 38.460 0.115 0.000 1.806 755 Y HN 0.184 8.120 8.280 -0.573 0.000 0.672 756 S N -4.457 111.428 115.700 0.307 0.000 2.857 756 S HA 0.034 4.640 4.470 0.144 -0.050 0.238 756 S C -1.995 172.700 174.600 0.157 0.000 0.875 756 S CA -0.001 58.303 58.200 0.174 0.000 1.368 756 S CB 0.907 64.182 63.200 0.125 0.000 1.238 756 S HN -0.269 8.366 8.310 0.386 -0.094 0.635 757 S N -0.950 114.869 115.700 0.198 0.000 2.560 757 S HA 0.305 4.882 4.470 0.178 0.000 0.283 757 S C -2.561 172.179 174.600 0.234 0.000 1.141 757 S CA -0.958 57.351 58.200 0.182 0.000 0.902 757 S CB 0.575 63.856 63.200 0.134 0.000 1.104 757 S HN -0.805 7.668 8.310 0.272 0.000 0.454 758 P HA -0.069 4.549 4.420 0.330 0.000 0.234 758 P C 0.483 178.014 177.300 0.385 0.000 1.167 758 P CA 1.783 65.115 63.100 0.385 0.000 0.763 758 P CB 0.147 32.175 31.700 0.547 0.000 0.835 759 Q N -2.808 117.109 119.800 0.196 0.000 2.339 759 Q HA -0.116 4.253 4.340 0.048 0.000 0.205 759 Q C 1.862 177.854 176.000 -0.012 0.000 0.925 759 Q CA 2.627 58.469 55.803 0.065 0.000 0.898 759 Q CB -0.128 28.628 28.738 0.029 0.000 1.013 759 Q HN 0.542 8.848 8.270 0.208 0.088 0.504 760 E N 1.882 122.061 120.200 -0.036 0.000 2.072 760 E HA -0.323 3.913 4.350 -0.190 0.000 0.191 760 E C 1.966 178.222 176.600 -0.573 0.000 0.985 760 E CA 2.988 59.242 56.400 -0.244 0.000 0.801 760 E CB -0.309 29.266 29.700 -0.210 0.000 0.750 760 E HN -0.133 8.100 8.360 0.056 0.160 0.452 761 F N 0.213 119.792 119.950 -0.618 0.000 2.014 761 F HA -0.380 3.474 4.527 -1.122 0.000 0.295 761 F C 1.236 176.924 175.800 -0.187 0.000 1.145 761 F CA 3.274 60.974 58.000 -0.499 0.000 1.178 761 F CB -0.184 38.841 39.000 0.042 0.000 0.972 761 F HN 0.215 8.513 8.300 0.007 0.006 0.476 762 A N -1.537 120.936 122.820 -0.579 0.000 1.958 762 A HA -0.511 3.530 4.320 -0.465 0.000 0.221 762 A C 2.306 179.700 177.584 -0.316 0.000 1.178 762 A CA 3.059 54.904 52.037 -0.321 0.000 0.642 762 A CB -0.998 18.111 19.000 0.181 0.000 0.816 762 A HN -0.166 7.994 8.150 0.222 0.124 0.453 763 Q N -2.533 117.103 119.800 -0.272 0.000 2.084 763 Q HA -0.383 3.854 4.340 -0.171 0.000 0.202 763 Q C 1.749 177.559 176.000 -0.317 0.000 0.978 763 Q CA 3.118 58.778 55.803 -0.239 0.000 0.844 763 Q CB -0.074 28.549 28.738 -0.191 0.000 0.898 763 Q HN 0.178 8.090 8.270 -0.228 0.221 0.426 764 D N -0.957 119.204 120.400 -0.399 0.000 2.085 764 D HA -0.168 4.338 4.640 -0.224 0.000 0.199 764 D C 2.369 178.403 176.300 -0.443 0.000 0.981 764 D CA 3.456 57.267 54.000 -0.316 0.000 0.834 764 D CB 0.015 40.712 40.800 -0.172 0.000 0.992 764 D HN -0.159 7.781 8.370 -0.485 0.139 0.457 765 V N -0.119 119.387 119.914 -0.679 0.000 2.469 765 V HA -0.472 3.233 4.120 -0.692 0.000 0.251 765 V C 1.319 176.547 176.094 -1.443 0.000 1.064 765 V CA 3.782 65.497 62.300 -0.974 0.000 1.066 765 V CB -0.284 30.877 31.823 -1.104 0.000 0.667 765 V HN 0.371 8.001 8.190 -0.764 0.101 0.461 766 G N -2.427 105.713 108.800 -1.101 0.000 2.471 766 G HA2 -0.219 3.177 3.960 -0.940 0.000 0.219 766 G HA3 -0.219 3.535 3.960 -0.442 -0.059 0.219 766 G C 1.188 175.884 174.900 -0.340 0.000 1.125 766 G CA 1.505 46.164 45.100 -0.735 0.000 0.775 766 G HN 0.472 8.034 8.290 -0.868 0.208 0.548 767 R N 1.696 121.999 120.500 -0.328 0.000 2.062 767 R HA -0.085 4.197 4.340 -0.097 0.000 0.226 767 R C 1.623 177.865 176.300 -0.098 0.000 1.125 767 R CA 2.497 58.503 56.100 -0.157 0.000 0.966 767 R CB -0.021 30.194 30.300 -0.142 0.000 0.861 767 R HN 0.033 7.882 8.270 -0.430 0.163 0.433 768 M N 0.918 120.400 119.600 -0.197 0.000 2.308 768 M HA -0.521 4.227 4.480 -0.063 -0.305 0.257 768 M C 2.512 178.906 176.300 0.157 0.000 1.070 768 M CA 4.638 59.873 55.300 -0.109 0.000 1.080 768 M CB -0.006 32.401 32.600 -0.321 0.000 1.274 768 M HN 0.506 8.428 8.290 -0.316 0.178 0.434 769 F N -3.902 116.061 119.950 0.023 0.000 2.087 769 F HA -0.430 4.389 4.527 0.486 0.000 0.299 769 F C 2.290 178.142 175.800 0.087 0.000 1.100 769 F CA 2.070 60.160 58.000 0.150 0.000 1.226 769 F CB -1.855 37.113 39.000 -0.053 0.000 0.983 769 F HN 0.311 8.378 8.300 -0.229 0.095 0.479 770 K N -0.807 119.710 120.400 0.195 0.000 1.978 770 K HA -0.376 3.986 4.320 0.070 0.000 0.214 770 K C 2.707 179.357 176.600 0.083 0.000 1.049 770 K CA 3.461 59.801 56.287 0.088 0.000 0.939 770 K CB -0.239 32.279 32.500 0.030 0.000 0.721 770 K HN -0.518 7.711 8.250 0.134 0.101 0.441 771 Q N -2.157 117.700 119.800 0.094 0.000 2.435 771 Q HA -0.193 4.180 4.340 0.055 0.000 0.207 771 Q C 2.460 178.562 176.000 0.170 0.000 0.956 771 Q CA 2.303 58.159 55.803 0.088 0.000 0.917 771 Q CB -0.217 28.556 28.738 0.059 0.000 0.997 771 Q HN 0.185 8.505 8.270 0.084 0.000 0.497 772 F N 2.689 122.658 119.950 0.033 0.000 2.146 772 F HA -0.329 4.220 4.527 0.036 0.000 0.298 772 F C 0.941 176.750 175.800 0.015 0.000 1.096 772 F CA 1.147 59.173 58.000 0.044 0.000 1.275 772 F CB 0.077 39.144 39.000 0.113 0.000 1.008 772 F HN 0.378 8.686 8.300 0.310 0.178 0.480 773 N N -1.983 116.669 118.700 -0.080 0.000 2.416 773 N HA -0.102 4.535 4.740 -0.406 -0.141 0.177 773 N C 0.549 175.998 175.510 -0.103 0.000 1.036 773 N CA 1.789 54.709 53.050 -0.216 0.000 0.901 773 N CB 0.364 38.757 38.487 -0.156 0.000 0.976 773 N HN 0.019 8.222 8.380 0.071 0.219 0.444 774 K N -3.750 116.636 120.400 -0.025 0.000 2.354 774 K HA 0.035 4.376 4.320 -0.031 -0.039 0.194 774 K C 0.437 177.040 176.600 0.005 0.000 1.045 774 K CA 0.123 56.403 56.287 -0.013 0.000 1.026 774 K CB 0.066 32.566 32.500 0.000 0.000 0.866 774 K HN -0.587 7.502 8.250 0.017 0.171 0.530 775 L N -0.957 120.287 121.223 0.036 0.000 2.316 775 L HA 0.062 4.422 4.340 0.033 0.000 0.207 775 L C 1.469 178.367 176.870 0.048 0.000 1.070 775 L CA 1.380 56.251 54.840 0.051 0.000 0.820 775 L CB -0.131 41.981 42.059 0.088 0.000 0.992 775 L HN 0.076 8.250 8.230 0.059 0.091 0.466 776 T N -0.174 114.411 114.554 0.051 0.000 2.469 776 T HA -0.390 4.014 4.350 0.090 0.000 0.254 776 T C 0.484 175.183 174.700 -0.001 0.000 1.214 776 T CA 2.515 64.632 62.100 0.029 0.000 1.202 776 T CB -0.147 68.669 68.868 -0.086 0.000 0.864 776 T HN -0.539 7.733 8.240 0.054 0.000 0.408 777 E N -3.809 116.371 120.200 -0.034 0.000 3.708 777 E HA -0.465 3.859 4.350 -0.043 0.000 0.307 777 E C -0.479 176.106 176.600 -0.026 0.000 0.696 777 E CA 2.711 59.093 56.400 -0.031 0.000 1.048 777 E CB -2.251 27.439 29.700 -0.016 0.000 1.556 777 E HN 0.519 8.842 8.360 -0.061 0.000 0.448 778 D N -2.996 117.393 120.400 -0.018 0.000 2.422 778 D HA -0.031 4.600 4.640 -0.015 0.000 0.218 778 D C -0.081 176.206 176.300 -0.020 0.000 1.047 778 D CA 1.402 55.394 54.000 -0.013 0.000 0.885 778 D CB 0.446 41.246 40.800 0.001 0.000 1.035 778 D HN 0.001 8.171 8.370 -0.011 0.194 0.502 779 K N -0.242 120.141 120.400 -0.029 0.000 2.465 779 K HA 0.012 4.317 4.320 -0.024 0.000 0.176 779 K C -0.147 176.416 176.600 -0.061 0.000 1.104 779 K CA 0.894 57.157 56.287 -0.040 0.000 1.160 779 K CB 0.500 32.976 32.500 -0.039 0.000 1.607 779 K HN -0.506 7.725 8.250 -0.030 0.000 0.469 780 A N -1.398 121.366 122.820 -0.094 0.000 1.896 780 A HA -0.039 4.239 4.320 -0.071 0.000 0.213 780 A C -0.341 177.180 177.584 -0.105 0.000 1.306 780 A CA 1.767 53.748 52.037 -0.094 0.000 0.626 780 A CB 0.610 19.546 19.000 -0.107 0.000 0.994 780 A HN -0.029 8.047 8.150 -0.123 0.000 0.475 781 D N -3.872 116.437 120.400 -0.151 0.000 1.858 781 D HA -0.134 4.418 4.640 -0.147 0.000 0.069 781 D C -0.729 175.446 176.300 -0.210 0.000 1.447 781 D CA 1.488 55.397 54.000 -0.152 0.000 0.518 781 D CB -0.367 40.371 40.800 -0.104 0.000 3.280 781 D HN -0.356 7.900 8.370 -0.190 0.000 0.191 782 V N -1.825 117.984 119.914 -0.175 0.000 2.635 782 V HA -0.098 4.093 4.120 -0.213 -0.199 0.233 782 V C 1.018 176.988 176.094 -0.206 0.000 1.097 782 V CA 2.493 64.683 62.300 -0.184 0.000 1.134 782 V CB 0.106 31.857 31.823 -0.121 0.000 0.841 782 V HN -0.274 7.833 8.190 -0.138 0.000 0.496 783 Q N -0.166 119.543 119.800 -0.152 0.000 2.585 783 Q HA -0.267 3.995 4.340 -0.129 0.000 0.219 783 Q C 2.147 178.051 176.000 -0.161 0.000 0.984 783 Q CA 2.827 58.549 55.803 -0.135 0.000 0.915 783 Q CB -1.083 27.599 28.738 -0.092 0.000 0.967 783 Q HN 0.352 8.546 8.270 -0.127 0.000 0.530 784 S N -0.414 115.155 115.700 -0.218 0.000 2.404 784 S HA -0.109 4.267 4.470 -0.156 0.000 0.223 784 S C 1.403 175.830 174.600 -0.288 0.000 1.040 784 S CA 2.714 60.782 58.200 -0.221 0.000 0.957 784 S CB -0.226 62.838 63.200 -0.225 0.000 0.826 784 S HN -0.042 8.016 8.310 -0.249 0.103 0.491 785 I N 1.885 122.164 120.570 -0.484 0.000 2.090 785 I HA -0.461 3.390 4.170 -0.531 0.000 0.236 785 I C 1.794 177.681 176.117 -0.384 0.000 1.064 785 I CA 2.483 63.456 61.300 -0.545 0.000 1.324 785 I CB -1.179 36.466 38.000 -0.591 0.000 1.044 785 I HN -0.164 7.674 8.210 -0.494 0.076 0.399 786 I N -0.524 119.870 120.570 -0.292 0.000 2.087 786 I HA -0.496 3.530 4.170 -0.239 0.000 0.240 786 I C 1.833 177.843 176.117 -0.178 0.000 1.054 786 I CA 4.688 65.857 61.300 -0.218 0.000 1.311 786 I CB -0.733 37.186 38.000 -0.136 0.000 1.024 786 I HN 0.605 8.532 8.210 -0.270 0.121 0.402 787 G N -2.669 106.045 108.800 -0.143 0.000 2.507 787 G HA2 -0.332 3.607 3.960 -0.034 0.000 0.221 787 G HA3 -0.332 3.576 3.960 -0.086 0.000 0.221 787 G C 1.295 176.137 174.900 -0.097 0.000 1.119 787 G CA 2.277 47.325 45.100 -0.086 0.000 0.751 787 G HN -0.353 7.722 8.290 -0.152 0.125 0.574 788 L N 0.074 121.151 121.223 -0.242 0.000 2.162 788 L HA -0.000 4.007 4.340 -0.555 0.000 0.205 788 L C 1.291 178.037 176.870 -0.207 0.000 1.086 788 L CA 2.654 57.280 54.840 -0.357 0.000 0.778 788 L CB -0.023 41.822 42.059 -0.357 0.000 0.928 788 L HN -0.446 7.506 8.230 -0.259 0.122 0.446 789 Q N -0.404 119.091 119.800 -0.509 0.000 2.224 789 Q HA -0.319 3.376 4.340 -1.074 0.000 0.203 789 Q C 2.752 178.853 176.000 0.169 0.000 0.970 789 Q CA 3.349 58.844 55.803 -0.513 0.000 0.865 789 Q CB -0.340 28.105 28.738 -0.489 0.000 0.922 789 Q HN 0.531 8.272 8.270 -0.479 0.242 0.445 790 R N -0.831 119.737 120.500 0.113 0.000 2.062 790 R HA -0.134 4.292 4.340 0.142 0.000 0.226 790 R C 1.857 178.289 176.300 0.220 0.000 1.125 790 R CA 1.323 57.512 56.100 0.148 0.000 0.966 790 R CB -0.781 29.564 30.300 0.075 0.000 0.861 790 R HN 0.640 8.696 8.270 0.010 0.220 0.433 791 F N 2.076 122.117 119.950 0.152 0.000 2.065 791 F HA -0.390 4.246 4.527 0.181 0.000 0.298 791 F C 1.653 177.662 175.800 0.348 0.000 1.112 791 F CA 3.400 61.551 58.000 0.251 0.000 1.212 791 F CB -0.119 39.074 39.000 0.322 0.000 0.975 791 F HN -0.687 7.765 8.300 0.360 0.064 0.476 792 F N -0.392 119.918 119.950 0.600 0.000 2.037 792 F HA -0.612 4.289 4.527 0.623 0.000 0.296 792 F C 1.329 177.300 175.800 0.286 0.000 1.132 792 F CA 3.470 61.789 58.000 0.532 0.000 1.211 792 F CB -0.331 39.059 39.000 0.650 0.000 0.951 792 F HN 0.611 9.357 8.300 0.934 0.114 0.503 793 E N -3.210 116.989 120.200 -0.003 0.000 2.268 793 E HA -0.273 3.705 4.350 -0.621 0.000 0.195 793 E C 1.933 178.403 176.600 -0.216 0.000 0.995 793 E CA 2.425 58.673 56.400 -0.254 0.000 0.836 793 E CB -0.529 29.178 29.700 0.011 0.000 0.763 793 E HN -0.568 8.079 8.360 0.478 0.000 0.491 794 T N 1.494 115.951 114.554 -0.161 0.000 2.639 794 T HA -0.271 3.909 4.350 -0.284 0.000 0.261 794 T C 1.852 176.380 174.700 -0.286 0.000 1.053 794 T CA 4.419 66.360 62.100 -0.265 0.000 1.158 794 T CB -0.006 68.653 68.868 -0.348 0.000 0.863 794 T HN -0.142 7.886 8.240 -0.056 0.179 0.413 795 R N 0.347 120.712 120.500 -0.225 0.000 2.075 795 R HA -0.256 3.995 4.340 -0.148 0.000 0.232 795 R C 2.011 178.269 176.300 -0.071 0.000 1.126 795 R CA 1.673 57.699 56.100 -0.124 0.000 0.963 795 R CB -0.926 29.365 30.300 -0.015 0.000 0.858 795 R HN -0.346 7.794 8.270 -0.217 0.000 0.435 796 M N -0.128 119.399 119.600 -0.123 0.000 2.260 796 M HA -0.349 4.131 4.480 -0.001 0.000 0.261 796 M C 1.703 177.934 176.300 -0.116 0.000 1.066 796 M CA 4.035 59.241 55.300 -0.157 0.000 1.082 796 M CB -0.189 32.120 32.600 -0.486 0.000 1.388 796 M HN 0.225 8.428 8.290 -0.144 0.000 0.419 797 N N -3.182 115.406 118.700 -0.187 0.000 2.290 797 N HA -0.250 4.428 4.740 -0.103 0.000 0.179 797 N C 1.498 176.933 175.510 -0.124 0.000 1.016 797 N CA 2.701 55.633 53.050 -0.197 0.000 0.871 797 N CB 0.023 38.283 38.487 -0.378 0.000 0.987 797 N HN -0.665 7.392 8.380 -0.231 0.185 0.431 798 E N 0.110 120.214 120.200 -0.160 0.000 2.007 798 E HA -0.375 4.144 4.350 0.282 0.000 0.194 798 E C 2.519 179.263 176.600 0.240 0.000 0.999 798 E CA 2.639 59.092 56.400 0.089 0.000 0.811 798 E CB 0.115 29.821 29.700 0.009 0.000 0.762 798 E HN -0.042 7.973 8.360 -0.211 0.218 0.450 799 A N -1.037 121.874 122.820 0.152 0.000 1.958 799 A HA -0.304 4.062 4.320 0.076 0.000 0.221 799 A C 0.884 178.553 177.584 0.141 0.000 1.178 799 A CA 2.860 54.977 52.037 0.134 0.000 0.642 799 A CB -0.332 18.750 19.000 0.137 0.000 0.816 799 A HN 0.399 8.607 8.150 0.097 0.000 0.453 800 F N -4.937 115.036 119.950 0.038 0.000 2.726 800 F HA -0.163 4.383 4.527 0.031 0.000 0.296 800 F C 0.155 176.020 175.800 0.109 0.000 1.250 800 F CA 0.807 58.836 58.000 0.049 0.000 1.434 800 F CB -0.988 38.024 39.000 0.021 0.000 1.043 800 F HN -0.657 7.827 8.300 0.455 0.089 0.508 801 G N -0.438 108.497 108.800 0.225 0.000 3.410 801 G HA2 0.084 4.109 3.960 0.108 0.000 0.127 801 G HA3 0.084 4.238 3.960 0.323 0.000 0.127 801 G C -1.646 173.275 174.900 0.035 0.000 1.332 801 G CA 0.636 45.841 45.100 0.175 0.000 1.156 801 G HN -0.400 7.864 8.290 0.186 0.138 0.591 802 D N -0.432 119.997 120.400 0.048 0.000 2.559 802 D HA 0.065 4.691 4.640 -0.024 0.000 0.431 802 D C -0.619 175.689 176.300 0.012 0.000 1.221 802 D CA 0.417 54.394 54.000 -0.040 0.000 1.007 802 D CB 2.351 43.061 40.800 -0.151 0.000 1.539 802 D HN -0.260 8.248 8.370 0.230 0.000 0.407 803 T N -2.583 112.101 114.554 0.215 0.000 4.093 803 T HA -0.431 4.214 4.350 0.493 0.000 0.334 803 T C -0.541 174.239 174.700 0.135 0.000 0.773 803 T CA 1.481 63.737 62.100 0.259 0.000 1.900 803 T CB -0.363 68.562 68.868 0.094 0.000 1.911 803 T HN -0.368 8.062 8.240 0.432 0.069 0.844 804 K N -1.988 118.390 120.400 -0.036 0.000 2.367 804 K HA -0.104 4.181 4.320 -0.058 0.000 0.194 804 K C 1.085 177.611 176.600 -0.122 0.000 1.027 804 K CA 0.206 56.417 56.287 -0.127 0.000 1.075 804 K CB -0.208 32.164 32.500 -0.212 0.000 0.845 804 K HN -0.117 7.970 8.250 -0.193 0.048 0.529 805 F N -0.041 119.887 119.950 -0.036 0.000 2.015 805 F HA -0.332 4.180 4.527 -0.025 0.000 0.297 805 F C 0.008 175.788 175.800 -0.033 0.000 1.141 805 F CA 2.035 60.016 58.000 -0.031 0.000 1.192 805 F CB -0.262 38.718 39.000 -0.033 0.000 0.957 805 F HN -0.445 7.857 8.300 0.118 0.069 0.491 806 S N -3.293 112.521 115.700 0.190 0.000 2.737 806 S HA 0.072 4.574 4.470 0.053 0.000 0.269 806 S C -0.223 174.400 174.600 0.038 0.000 1.150 806 S CA -0.803 57.444 58.200 0.078 0.000 1.077 806 S CB 0.894 64.132 63.200 0.063 0.000 1.075 806 S HN -0.493 7.970 8.310 0.255 0.000 0.476 807 A N 4.492 127.320 122.820 0.013 0.000 2.238 807 A HA 0.080 4.388 4.320 -0.020 0.000 0.208 807 A C -0.030 177.545 177.584 -0.014 0.000 1.177 807 A CA 1.525 53.554 52.037 -0.012 0.000 0.804 807 A CB -0.273 18.713 19.000 -0.023 0.000 0.823 807 A HN 0.626 8.783 8.150 0.011 0.000 0.482 808 V N -8.095 111.819 119.914 -0.001 0.000 3.647 808 V HA 0.057 4.178 4.120 0.002 0.000 0.279 808 V C -0.875 175.226 176.094 0.012 0.000 1.314 808 V CA 0.578 62.881 62.300 0.005 0.000 1.125 808 V CB -0.350 31.479 31.823 0.009 0.000 0.907 808 V HN -0.197 7.926 8.190 0.006 0.070 0.434 809 L N -1.955 119.272 121.223 0.005 0.000 2.638 809 L HA 0.243 4.598 4.340 0.025 0.000 0.232 809 L C 0.782 177.653 176.870 0.001 0.000 1.099 809 L CA 0.142 54.988 54.840 0.010 0.000 0.883 809 L CB 0.668 42.727 42.059 -0.000 0.000 1.136 809 L HN -0.771 7.381 8.230 -0.001 0.077 0.492 810 V N -5.448 114.447 119.914 -0.031 0.000 3.541 810 V HA -0.024 4.046 4.120 -0.083 0.000 0.267 810 V C -0.395 175.657 176.094 -0.070 0.000 1.213 810 V CA 0.436 62.684 62.300 -0.087 0.000 1.149 810 V CB 0.021 31.758 31.823 -0.144 0.000 0.822 810 V HN -0.532 7.590 8.190 -0.029 0.051 0.462 811 E N 0.815 121.017 120.200 0.004 0.000 2.103 811 E HA 0.398 4.785 4.350 0.061 0.000 0.254 811 E C -1.480 175.182 176.600 0.103 0.000 0.940 811 E CA -4.066 52.365 56.400 0.051 0.000 0.771 811 E CB -0.504 29.214 29.700 0.031 0.000 1.153 811 E HN -0.160 8.123 8.360 0.006 0.080 0.428 812 P HA 0.000 4.515 4.420 0.159 0.000 0.216 812 P CA 0.000 63.201 63.100 0.169 0.000 0.800 812 P CB 0.000 31.836 31.700 0.227 0.000 0.726