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 1rre_1_C DATA FIRST_RESID 594 DATA SEQUENCE RVGQVTGLAW TEVGGDLLTI ETAcVPGKGK LTYTGSLGEV XQESIQAALT DATA SEQUENCE VVRARAEKLG INPDFYEKRD IHVHVPEGAT PKDGPAAGIA XCTALVScLT DATA SEQUENCE GNPVRADVAX TGEITLRGQV LPIGGLKEKL LAAHRGGIKT VLIPFENKRD DATA SEQUENCE LEEIPDNVIA DLDIHPVKRI EEVLTLALQN EP 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 594 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 594 R C 0.000 176.309 176.300 0.014 0.000 0.893 594 R CA 0.000 56.108 56.100 0.013 0.000 0.921 594 R CB 0.000 30.300 30.300 -0.000 0.000 0.687 595 V N 0.377 120.295 119.914 0.007 0.000 2.447 595 V HA 0.823 4.943 4.120 -0.000 0.000 0.292 595 V C 0.688 176.784 176.094 0.004 0.000 1.021 595 V CA -0.979 61.325 62.300 0.007 0.000 0.850 595 V CB 1.697 33.519 31.823 -0.001 0.000 1.005 595 V HN 0.615 8.805 8.190 -0.000 0.000 0.426 596 G N 3.039 111.844 108.800 0.007 0.000 2.420 596 G HA2 0.569 4.529 3.960 -0.000 0.000 0.284 596 G HA3 0.569 4.529 3.960 -0.000 0.000 0.284 596 G C -0.739 174.164 174.900 0.004 0.000 1.177 596 G CA -0.244 44.858 45.100 0.003 0.000 0.841 596 G HN 0.658 8.948 8.290 -0.000 0.000 0.527 597 Q N 0.648 120.448 119.800 -0.001 0.000 2.274 597 Q HA 0.558 4.898 4.340 -0.000 0.000 0.268 597 Q C -1.503 174.494 176.000 -0.005 0.000 1.015 597 Q CA -0.543 55.258 55.803 -0.002 0.000 0.775 597 Q CB 2.353 31.088 28.738 -0.004 0.000 1.256 597 Q HN 0.409 8.679 8.270 -0.000 0.000 0.442 598 V N 2.001 121.913 119.914 -0.005 0.000 2.876 598 V HA 0.509 4.629 4.120 -0.000 0.000 0.312 598 V C -0.294 175.796 176.094 -0.008 0.000 1.085 598 V CA -0.818 61.479 62.300 -0.006 0.000 0.945 598 V CB 2.050 33.871 31.823 -0.003 0.000 1.017 598 V HN 0.842 9.032 8.190 -0.000 0.000 0.428 599 T N 2.016 116.566 114.554 -0.008 0.000 2.728 599 T HA 0.675 5.025 4.350 -0.000 0.000 0.296 599 T C 0.223 174.921 174.700 -0.002 0.000 0.940 599 T CA 0.185 62.281 62.100 -0.008 0.000 1.013 599 T CB 0.422 69.284 68.868 -0.009 0.000 0.912 599 T HN 1.050 9.290 8.240 -0.000 0.000 0.484 600 G N 3.472 112.271 108.800 -0.002 0.000 2.509 600 G HA2 0.707 4.667 3.960 -0.000 0.000 0.328 600 G HA3 0.707 4.667 3.960 -0.000 0.000 0.328 600 G C -1.127 173.776 174.900 0.006 0.000 1.194 600 G CA -1.087 44.016 45.100 0.005 0.000 0.967 600 G HN 0.854 9.144 8.290 -0.000 0.000 0.488 601 L N 0.299 121.532 121.223 0.016 0.000 2.404 601 L HA 0.765 5.104 4.340 -0.000 0.000 0.272 601 L C 0.031 176.923 176.870 0.036 0.000 0.980 601 L CA -0.669 54.183 54.840 0.020 0.000 0.836 601 L CB 1.696 43.770 42.059 0.024 0.000 1.238 601 L HN 0.764 8.994 8.230 -0.000 0.000 0.408 602 A N 1.830 124.675 122.820 0.041 0.000 2.610 602 A HA 0.555 4.875 4.320 -0.000 0.000 0.291 602 A C -2.215 175.433 177.584 0.108 0.000 1.086 602 A CA -0.611 51.477 52.037 0.085 0.000 0.677 602 A CB 0.923 19.967 19.000 0.075 0.000 1.278 602 A HN 0.683 8.833 8.150 -0.000 0.000 0.414 603 W N 1.950 123.245 121.300 -0.008 0.000 2.251 603 W HA 0.471 5.131 4.660 -0.000 0.000 0.327 603 W C 0.587 177.101 176.519 -0.008 0.000 1.361 603 W CA 1.738 59.079 57.345 -0.007 0.000 1.234 603 W CB 0.859 30.315 29.460 -0.007 0.000 1.212 603 W HN 0.991 9.171 8.180 -0.000 0.000 0.557 604 T N 1.208 115.251 114.554 -0.853 0.000 2.887 604 T HA 0.236 4.586 4.350 -0.000 0.000 0.292 604 T C 0.496 174.301 174.700 -1.490 0.000 1.087 604 T CA -0.610 60.962 62.100 -0.879 0.000 1.009 604 T CB 1.721 70.344 68.868 -0.409 0.000 1.203 604 T HN 0.526 8.766 8.240 -0.000 0.000 0.518 605 E N 0.105 119.765 120.200 -0.900 0.000 2.160 605 E HA -0.118 4.232 4.350 -0.000 0.000 0.195 605 E C 1.878 178.242 176.600 -0.393 0.000 0.991 605 E CA 1.793 57.844 56.400 -0.581 0.000 0.810 605 E CB -0.609 28.960 29.700 -0.219 0.000 0.742 605 E HN 0.572 8.931 8.360 -0.000 0.000 0.466 606 V N -1.260 118.445 119.914 -0.347 0.000 2.343 606 V HA 0.121 4.241 4.120 -0.000 0.000 0.247 606 V C 1.316 177.246 176.094 -0.272 0.000 1.051 606 V CA 1.155 63.311 62.300 -0.239 0.000 1.036 606 V CB -1.081 30.638 31.823 -0.174 0.000 0.654 606 V HN 0.398 8.588 8.190 -0.000 0.000 0.451 607 G N -1.552 106.986 108.800 -0.438 0.000 2.352 607 G HA2 0.408 4.368 3.960 -0.000 0.000 0.302 607 G HA3 0.408 4.368 3.960 -0.000 0.000 0.302 607 G C -0.215 174.473 174.900 -0.354 0.000 1.370 607 G CA -0.539 44.343 45.100 -0.364 0.000 0.918 607 G HN 0.705 8.995 8.290 -0.000 0.000 0.610 608 G N 0.372 109.081 108.800 -0.151 0.000 2.661 608 G HA2 0.445 4.405 3.960 -0.000 0.000 0.292 608 G HA3 0.445 4.405 3.960 -0.000 0.000 0.292 608 G C -0.099 174.780 174.900 -0.035 0.000 0.781 608 G CA 0.536 45.618 45.100 -0.030 0.000 1.860 608 G HN 0.580 8.870 8.290 -0.000 0.000 0.512 609 D N 1.321 121.679 120.400 -0.069 0.000 2.592 609 D HA 0.315 4.955 4.640 -0.000 0.000 0.259 609 D C 0.165 176.445 176.300 -0.033 0.000 1.144 609 D CA -0.716 53.252 54.000 -0.054 0.000 1.080 609 D CB 1.777 42.528 40.800 -0.082 0.000 1.225 609 D HN 0.065 8.435 8.370 -0.000 0.000 0.619 610 L N 1.695 122.901 121.223 -0.029 0.000 2.455 610 L HA 0.210 4.550 4.340 -0.000 0.000 0.272 610 L C -0.590 176.261 176.870 -0.033 0.000 1.174 610 L CA 0.266 55.093 54.840 -0.022 0.000 0.869 610 L CB 0.273 42.321 42.059 -0.020 0.000 1.130 610 L HN 0.206 8.436 8.230 -0.000 0.000 0.474 611 L N 3.580 124.786 121.223 -0.028 0.000 2.470 611 L HA 0.333 4.673 4.340 -0.000 0.000 0.268 611 L C -0.524 176.327 176.870 -0.032 0.000 0.964 611 L CA -0.631 54.187 54.840 -0.036 0.000 0.839 611 L CB 2.482 44.521 42.059 -0.033 0.000 1.276 611 L HN 0.526 8.756 8.230 -0.000 0.000 0.403 612 T N 2.428 116.958 114.554 -0.041 0.000 2.729 612 T HA 0.506 4.856 4.350 -0.000 0.000 0.296 612 T C -0.112 174.562 174.700 -0.043 0.000 0.928 612 T CA -0.363 61.716 62.100 -0.035 0.000 1.045 612 T CB 0.727 69.576 68.868 -0.032 0.000 0.902 612 T HN 0.178 8.418 8.240 -0.000 0.000 0.500 613 I N 3.524 124.079 120.570 -0.026 0.000 2.325 613 I HA 0.252 4.421 4.170 -0.000 0.000 0.291 613 I C 0.577 176.691 176.117 -0.004 0.000 1.019 613 I CA -0.164 61.126 61.300 -0.018 0.000 1.302 613 I CB 0.824 38.823 38.000 -0.002 0.000 1.401 613 I HN 0.630 8.840 8.210 -0.000 0.000 0.485 614 E N 4.105 124.307 120.200 0.004 0.000 2.221 614 E HA 0.728 5.078 4.350 -0.000 0.000 0.268 614 E C -0.933 175.694 176.600 0.045 0.000 0.933 614 E CA -0.966 55.446 56.400 0.020 0.000 0.809 614 E CB 2.063 31.776 29.700 0.022 0.000 1.190 614 E HN 0.383 8.743 8.360 -0.000 0.000 0.406 615 T N 0.850 115.427 114.554 0.039 0.000 3.071 615 T HA 0.524 4.873 4.350 -0.000 0.000 0.311 615 T C -1.149 173.580 174.700 0.049 0.000 1.042 615 T CA -0.625 61.514 62.100 0.066 0.000 1.028 615 T CB 1.458 70.371 68.868 0.074 0.000 1.068 615 T HN 0.569 8.809 8.240 -0.000 0.000 0.451 616 A N 1.283 124.140 122.820 0.062 0.000 2.320 616 A HA 0.743 5.063 4.320 -0.000 0.000 0.334 616 A C 0.418 178.057 177.584 0.092 0.000 1.147 616 A CA -0.764 51.306 52.037 0.056 0.000 0.820 616 A CB 0.410 19.431 19.000 0.036 0.000 1.218 616 A HN 1.214 9.364 8.150 -0.000 0.000 0.482 617 c N 0.777 119.422 118.600 0.073 0.000 3.471 617 c HA 0.576 5.146 4.570 -0.000 0.000 0.191 617 c C -0.174 173.958 174.090 0.070 0.000 1.480 617 c CA -0.789 55.594 56.329 0.090 0.000 1.281 617 c CB -1.746 40.815 42.510 0.085 0.000 1.898 617 c HN 0.528 8.758 8.230 -0.000 0.000 0.533 618 V N 2.910 122.861 119.914 0.061 0.000 2.924 618 V HA 0.306 4.425 4.120 -0.000 0.000 0.305 618 V C -1.719 174.397 176.094 0.036 0.000 1.073 618 V CA -0.560 61.765 62.300 0.041 0.000 1.098 618 V CB 0.966 32.810 31.823 0.035 0.000 1.000 618 V HN 0.432 8.622 8.190 -0.000 0.000 0.484 619 P HA 0.297 4.717 4.420 -0.000 0.000 0.266 619 P C 0.250 177.551 177.300 0.002 0.000 1.186 619 P CA 0.918 64.029 63.100 0.018 0.000 0.767 619 P CB 0.361 32.069 31.700 0.014 0.000 0.820 620 G N 1.558 110.350 108.800 -0.014 0.000 2.356 620 G HA2 0.337 4.296 3.960 -0.000 0.000 0.281 620 G HA3 0.337 4.296 3.960 -0.000 0.000 0.281 620 G C -1.337 173.521 174.900 -0.069 0.000 1.246 620 G CA -0.763 44.314 45.100 -0.039 0.000 0.889 620 G HN 0.368 8.658 8.290 -0.000 0.000 0.486 621 K N -0.461 119.876 120.400 -0.104 0.000 2.706 621 K HA 0.582 4.902 4.320 -0.000 0.000 0.203 621 K C 0.777 177.238 176.600 -0.232 0.000 1.102 621 K CA 0.281 56.487 56.287 -0.135 0.000 1.058 621 K CB 1.273 33.716 32.500 -0.095 0.000 0.779 621 K HN 1.988 10.238 8.250 -0.000 0.000 0.483 622 G N 0.770 109.363 108.800 -0.345 0.000 2.138 622 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.193 622 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.193 622 G C -0.506 174.066 174.900 -0.548 0.000 0.998 622 G CA -0.604 44.071 45.100 -0.709 0.000 0.668 622 G HN 0.105 8.395 8.290 -0.000 0.000 0.516 623 K N -0.120 120.122 120.400 -0.263 0.000 2.270 623 K HA 0.698 5.017 4.320 -0.000 0.000 0.276 623 K C 0.064 176.624 176.600 -0.066 0.000 1.023 623 K CA -0.732 55.471 56.287 -0.141 0.000 0.955 623 K CB 1.185 33.617 32.500 -0.113 0.000 0.975 623 K HN 0.308 8.558 8.250 -0.000 0.000 0.471 624 L N 1.933 123.152 121.223 -0.007 0.000 2.307 624 L HA 0.514 4.854 4.340 -0.000 0.000 0.284 624 L C -0.831 175.930 176.870 -0.183 0.000 1.023 624 L CA 0.303 55.160 54.840 0.029 0.000 0.810 624 L CB 1.774 43.933 42.059 0.167 0.000 1.231 624 L HN 0.564 8.794 8.230 -0.000 0.000 0.423 625 T N 5.232 119.667 114.554 -0.199 0.000 2.848 625 T HA 0.638 4.988 4.350 -0.000 0.000 0.285 625 T C -1.488 173.071 174.700 -0.235 0.000 0.995 625 T CA -0.109 61.748 62.100 -0.406 0.000 0.970 625 T CB 0.824 69.354 68.868 -0.563 0.000 0.976 625 T HN 0.401 8.641 8.240 -0.000 0.000 0.441 626 Y N 0.116 120.404 120.300 -0.021 0.000 2.442 626 Y HA 0.811 5.361 4.550 -0.000 0.000 0.344 626 Y C 0.158 176.141 175.900 0.138 0.000 0.976 626 Y CA -1.250 56.918 58.100 0.112 0.000 1.040 626 Y CB 1.261 39.785 38.460 0.107 0.000 1.228 626 Y HN 0.663 8.943 8.280 -0.000 0.000 0.451 627 T N -1.721 113.108 114.554 0.458 0.000 2.841 627 T HA 0.748 5.097 4.350 -0.000 0.000 0.296 627 T C 0.218 175.173 174.700 0.426 0.000 1.166 627 T CA -0.680 61.672 62.100 0.419 0.000 1.007 627 T CB 1.406 70.528 68.868 0.424 0.000 1.253 627 T HN 1.803 10.043 8.240 -0.000 0.000 0.511 628 G N -0.017 108.971 108.800 0.313 0.000 2.188 628 G HA2 0.158 4.117 3.960 -0.000 0.000 0.112 628 G HA3 0.158 4.117 3.960 -0.000 0.000 0.112 628 G C 0.241 175.194 174.900 0.088 0.000 1.048 628 G CA 0.053 45.230 45.100 0.128 0.000 0.720 628 G HN 1.738 10.028 8.290 -0.000 0.000 0.487 629 S N -1.136 114.634 115.700 0.117 0.000 3.631 629 S HA -0.193 4.277 4.470 -0.000 0.000 0.366 629 S C 0.716 175.369 174.600 0.088 0.000 0.993 629 S CA 1.173 59.428 58.200 0.091 0.000 1.167 629 S CB -1.407 61.832 63.200 0.065 0.000 0.909 629 S HN 1.018 9.328 8.310 -0.000 0.000 0.478 630 L N 1.131 122.415 121.223 0.101 0.000 2.331 630 L HA 0.566 4.906 4.340 -0.000 0.000 0.278 630 L C 1.314 178.227 176.870 0.071 0.000 1.106 630 L CA -0.331 54.557 54.840 0.079 0.000 0.824 630 L CB 0.447 42.542 42.059 0.060 0.000 1.142 630 L HN 0.378 8.608 8.230 -0.000 0.000 0.443 631 G N 1.045 109.886 108.800 0.068 0.000 2.599 631 G HA2 0.123 4.083 3.960 -0.000 0.000 0.264 631 G HA3 0.123 4.083 3.960 -0.000 0.000 0.264 631 G C 0.602 175.507 174.900 0.008 0.000 1.200 631 G CA -0.294 44.838 45.100 0.053 0.000 0.896 631 G HN 0.833 9.123 8.290 -0.000 0.000 0.536 632 E N -0.546 119.654 120.200 0.001 0.000 2.106 632 E HA -0.102 4.248 4.350 -0.000 0.000 0.192 632 E C 1.534 178.106 176.600 -0.047 0.000 0.984 632 E CA 0.392 56.781 56.400 -0.019 0.000 0.806 632 E CB -0.114 29.584 29.700 -0.004 0.000 0.750 632 E HN 0.227 8.587 8.360 -0.000 0.000 0.458 636 E N 1.505 121.590 120.200 -0.191 0.000 2.153 636 E HA -0.153 4.197 4.350 -0.000 0.000 0.194 636 E C 1.876 178.429 176.600 -0.079 0.000 0.988 636 E CA 1.595 57.933 56.400 -0.103 0.000 0.811 636 E CB 0.009 29.675 29.700 -0.056 0.000 0.746 636 E HN 0.339 8.699 8.360 -0.000 0.000 0.466 637 S N 1.130 116.783 115.700 -0.079 0.000 2.383 637 S HA -0.162 4.308 4.470 -0.000 0.000 0.229 637 S C 2.058 176.633 174.600 -0.042 0.000 1.030 637 S CA 0.756 58.927 58.200 -0.048 0.000 1.002 637 S CB -0.488 62.691 63.200 -0.035 0.000 0.829 637 S HN 0.200 8.510 8.310 -0.000 0.000 0.467 638 I N 1.769 122.292 120.570 -0.077 0.000 2.226 638 I HA -0.232 3.938 4.170 -0.000 0.000 0.245 638 I C 2.975 179.102 176.117 0.015 0.000 1.100 638 I CA 1.637 62.919 61.300 -0.030 0.000 1.374 638 I CB -0.505 37.456 38.000 -0.066 0.000 1.057 638 I HN 0.439 8.649 8.210 -0.000 0.000 0.413 639 Q N 0.685 120.484 119.800 -0.002 0.000 2.079 639 Q HA -0.140 4.200 4.340 -0.000 0.000 0.200 639 Q C 2.507 178.508 176.000 0.002 0.000 0.974 639 Q CA 1.590 57.408 55.803 0.025 0.000 0.840 639 Q CB -0.308 28.448 28.738 0.030 0.000 0.898 639 Q HN 0.556 8.826 8.270 -0.000 0.000 0.430 640 A N 1.462 124.278 122.820 -0.007 0.000 1.908 640 A HA -0.164 4.156 4.320 -0.000 0.000 0.218 640 A C 2.351 179.935 177.584 0.000 0.000 1.181 640 A CA 1.707 53.740 52.037 -0.006 0.000 0.627 640 A CB -0.891 18.104 19.000 -0.009 0.000 0.818 640 A HN 0.399 8.549 8.150 -0.000 0.000 0.445 641 A N -0.588 122.236 122.820 0.007 0.000 1.902 641 A HA -0.049 4.271 4.320 -0.000 0.000 0.217 641 A C 2.133 179.732 177.584 0.025 0.000 1.181 641 A CA 1.806 53.852 52.037 0.016 0.000 0.623 641 A CB -0.622 18.392 19.000 0.023 0.000 0.818 641 A HN 0.707 8.857 8.150 -0.000 0.000 0.443 642 L N -0.309 120.932 121.223 0.030 0.000 2.046 642 L HA -0.092 4.248 4.340 -0.000 0.000 0.208 642 L C 2.402 179.274 176.870 0.002 0.000 1.077 642 L CA 2.798 57.658 54.840 0.033 0.000 0.747 642 L CB -1.256 40.807 42.059 0.008 0.000 0.896 642 L HN 0.351 8.581 8.230 -0.000 0.000 0.432 643 T N -1.058 113.481 114.554 -0.025 0.000 2.788 643 T HA -0.150 4.200 4.350 -0.000 0.000 0.268 643 T C 2.009 176.709 174.700 -0.000 0.000 1.044 643 T CA 1.534 63.615 62.100 -0.032 0.000 1.139 643 T CB -0.296 68.552 68.868 -0.034 0.000 0.867 643 T HN 0.198 8.438 8.240 -0.000 0.000 0.454 644 V N 1.172 121.091 119.914 0.008 0.000 2.287 644 V HA -0.158 3.962 4.120 -0.000 0.000 0.248 644 V C 2.630 178.740 176.094 0.026 0.000 1.053 644 V CA 1.441 63.749 62.300 0.013 0.000 1.027 644 V CB -0.624 31.204 31.823 0.009 0.000 0.646 644 V HN 0.320 8.510 8.190 -0.000 0.000 0.447 645 V N -0.323 119.614 119.914 0.038 0.000 2.407 645 V HA -0.247 3.873 4.120 -0.000 0.000 0.248 645 V C 2.555 178.720 176.094 0.118 0.000 1.055 645 V CA 2.007 64.333 62.300 0.042 0.000 1.049 645 V CB -0.779 31.053 31.823 0.017 0.000 0.662 645 V HN 0.472 8.662 8.190 -0.000 0.000 0.455 646 R N 0.109 120.711 120.500 0.171 0.000 2.066 646 R HA -0.061 4.278 4.340 -0.000 0.000 0.232 646 R C 2.449 178.817 176.300 0.114 0.000 1.131 646 R CA 1.397 57.625 56.100 0.214 0.000 0.955 646 R CB -0.620 29.704 30.300 0.041 0.000 0.851 646 R HN 0.509 8.779 8.270 -0.000 0.000 0.432 647 A N 1.130 123.984 122.820 0.055 0.000 2.024 647 A HA -0.151 4.169 4.320 -0.000 0.000 0.220 647 A C 1.640 179.248 177.584 0.040 0.000 1.164 647 A CA 1.265 53.323 52.037 0.035 0.000 0.643 647 A CB -0.172 18.837 19.000 0.016 0.000 0.806 647 A HN 0.241 8.391 8.150 -0.000 0.000 0.451 648 R N -1.210 119.318 120.500 0.047 0.000 2.546 648 R HA 0.391 4.731 4.340 -0.000 0.000 0.320 648 R C 1.739 178.064 176.300 0.041 0.000 1.021 648 R CA 0.434 56.554 56.100 0.034 0.000 1.088 648 R CB 0.110 30.420 30.300 0.016 0.000 1.278 648 R HN 0.394 8.664 8.270 -0.000 0.000 0.557 649 A N 1.875 124.744 122.820 0.080 0.000 1.908 649 A HA -0.224 4.096 4.320 -0.000 0.000 0.218 649 A C 1.798 179.415 177.584 0.056 0.000 1.181 649 A CA 1.411 53.502 52.037 0.089 0.000 0.627 649 A CB -0.097 19.044 19.000 0.235 0.000 0.818 649 A HN 0.298 8.448 8.150 -0.000 0.000 0.445 650 E N 0.278 120.511 120.200 0.056 0.000 2.031 650 E HA -0.197 4.153 4.350 -0.000 0.000 0.193 650 E C 1.929 178.543 176.600 0.023 0.000 0.994 650 E CA 1.211 57.636 56.400 0.041 0.000 0.800 650 E CB -0.393 29.329 29.700 0.036 0.000 0.752 650 E HN 0.556 8.916 8.360 -0.000 0.000 0.447 651 K N 0.929 121.340 120.400 0.018 0.000 2.020 651 K HA -0.135 4.185 4.320 -0.000 0.000 0.212 651 K C 2.339 178.940 176.600 0.002 0.000 1.050 651 K CA 1.107 57.399 56.287 0.008 0.000 0.929 651 K CB -0.465 32.039 32.500 0.006 0.000 0.714 651 K HN 0.170 8.420 8.250 -0.000 0.000 0.443 652 L N -0.107 121.114 121.223 -0.004 0.000 2.549 652 L HA -0.032 4.307 4.340 -0.000 0.000 0.229 652 L C 1.338 178.195 176.870 -0.020 0.000 1.158 652 L CA 0.723 55.553 54.840 -0.017 0.000 0.842 652 L CB -0.423 41.616 42.059 -0.032 0.000 0.952 652 L HN 0.533 8.763 8.230 -0.000 0.000 0.452 653 G N 0.338 109.133 108.800 -0.009 0.000 2.157 653 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.239 653 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.239 653 G C 0.208 175.102 174.900 -0.010 0.000 0.982 653 G CA -0.308 44.789 45.100 -0.006 0.000 0.650 653 G HN 0.267 8.557 8.290 -0.000 0.000 0.527 654 I N 1.924 122.481 120.570 -0.022 0.000 2.441 654 I HA 0.182 4.352 4.170 -0.000 0.000 0.287 654 I C 0.864 177.014 176.117 0.055 0.000 1.049 654 I CA -0.561 60.719 61.300 -0.033 0.000 1.381 654 I CB 0.705 38.614 38.000 -0.151 0.000 1.409 654 I HN 0.441 8.651 8.210 -0.000 0.000 0.523 655 N N 8.181 126.931 118.700 0.083 0.000 2.411 655 N HA 0.084 4.824 4.740 -0.000 0.000 0.265 655 N C -2.492 173.152 175.510 0.222 0.000 1.266 655 N CA -0.988 52.138 53.050 0.126 0.000 0.889 655 N CB -0.057 38.497 38.487 0.111 0.000 1.069 655 N HN 0.282 8.662 8.380 -0.000 0.000 0.476 656 P HA 0.045 4.465 4.420 -0.000 0.000 0.269 656 P C -0.423 176.948 177.300 0.118 0.000 1.217 656 P CA 0.229 63.424 63.100 0.157 0.000 0.783 656 P CB 0.312 32.065 31.700 0.088 0.000 0.898 657 D N -0.996 119.429 120.400 0.042 0.000 2.911 657 D HA -0.231 4.409 4.640 -0.000 0.000 0.227 657 D C 0.660 176.965 176.300 0.008 0.000 1.164 657 D CA 1.059 55.048 54.000 -0.019 0.000 0.782 657 D CB -2.180 38.623 40.800 0.005 0.000 1.094 657 D HN 0.532 8.902 8.370 -0.000 0.000 0.425 658 F N -1.660 118.341 119.950 0.084 0.000 2.269 658 F HA -0.095 4.432 4.527 0.000 0.000 0.301 658 F C 2.046 177.922 175.800 0.127 0.000 1.082 658 F CA 0.637 58.690 58.000 0.087 0.000 1.360 658 F CB -0.758 38.295 39.000 0.087 0.000 1.041 658 F HN 0.183 8.483 8.300 -0.000 0.000 0.512 659 Y N 1.109 120.823 120.300 -0.977 0.000 2.571 659 Y HA -0.024 4.526 4.550 -0.000 0.000 0.294 659 Y C 2.007 177.763 175.900 -0.240 0.000 1.141 659 Y CA 0.956 58.692 58.100 -0.606 0.000 1.308 659 Y CB -0.192 37.870 38.460 -0.663 0.000 1.002 659 Y HN 0.213 8.493 8.280 -0.000 0.000 0.551 660 E N -0.416 119.681 120.200 -0.173 0.000 2.299 660 E HA -0.095 4.255 4.350 -0.000 0.000 0.193 660 E C 1.312 177.841 176.600 -0.118 0.000 0.998 660 E CA 0.650 56.965 56.400 -0.141 0.000 0.851 660 E CB 0.190 29.848 29.700 -0.070 0.000 0.795 660 E HN 0.349 8.709 8.360 -0.000 0.000 0.492 661 K N -0.131 120.228 120.400 -0.069 0.000 2.438 661 K HA 0.175 4.495 4.320 -0.000 0.000 0.206 661 K C -0.069 176.534 176.600 0.004 0.000 1.081 661 K CA -0.083 56.193 56.287 -0.019 0.000 1.053 661 K CB 0.920 33.434 32.500 0.023 0.000 0.908 661 K HN -0.170 8.080 8.250 -0.000 0.000 0.556 662 R N 0.850 121.346 120.500 -0.005 0.000 2.750 662 R HA 0.305 4.645 4.340 -0.000 0.000 0.281 662 R C -1.249 175.028 176.300 -0.038 0.000 0.972 662 R CA -0.734 55.390 56.100 0.040 0.000 0.912 662 R CB 1.618 32.030 30.300 0.186 0.000 1.187 662 R HN -0.056 8.214 8.270 -0.000 0.000 0.464 663 D N 1.864 122.261 120.400 -0.005 0.000 2.192 663 D HA 0.392 5.032 4.640 -0.000 0.000 0.246 663 D C -0.006 176.339 176.300 0.076 0.000 1.042 663 D CA -0.355 53.638 54.000 -0.012 0.000 0.847 663 D CB 1.554 42.343 40.800 -0.019 0.000 1.186 663 D HN 0.171 8.541 8.370 -0.000 0.000 0.461 664 I N 2.465 123.105 120.570 0.116 0.000 2.354 664 I HA 0.168 4.338 4.170 -0.000 0.000 0.292 664 I C -0.164 176.071 176.117 0.197 0.000 0.989 664 I CA -0.460 60.954 61.300 0.189 0.000 1.188 664 I CB 1.051 39.216 38.000 0.275 0.000 1.342 664 I HN 0.331 8.540 8.210 -0.000 0.000 0.457 665 H N 6.473 125.599 119.070 0.093 0.000 2.646 665 H HA 0.525 5.081 4.556 -0.000 0.000 0.328 665 H C -1.522 173.883 175.328 0.128 0.000 0.998 665 H CA -0.690 55.410 56.048 0.088 0.000 1.225 665 H CB 1.623 31.412 29.762 0.046 0.000 1.457 665 H HN 0.233 8.513 8.280 -0.000 0.000 0.505 666 V N 6.620 126.836 119.914 0.503 0.000 2.370 666 V HA 0.194 4.314 4.120 -0.000 0.000 0.279 666 V C -0.180 176.154 176.094 0.401 0.000 1.029 666 V CA -0.577 61.926 62.300 0.337 0.000 0.870 666 V CB 0.771 32.761 31.823 0.278 0.000 0.984 666 V HN 0.763 8.953 8.190 -0.000 0.000 0.451 667 H N 3.717 122.840 119.070 0.089 0.000 2.572 667 H HA 0.732 5.288 4.556 -0.000 0.000 0.359 667 H C -1.186 174.164 175.328 0.038 0.000 1.134 667 H CA -0.733 55.346 56.048 0.053 0.000 1.187 667 H CB 2.125 31.810 29.762 -0.128 0.000 1.597 667 H HN 0.342 8.622 8.280 -0.000 0.000 0.524 668 V N 7.574 127.237 119.914 -0.420 0.000 2.340 668 V HA 0.301 4.421 4.120 -0.000 0.000 0.277 668 V C -2.371 173.443 176.094 -0.465 0.000 1.017 668 V CA -1.618 60.483 62.300 -0.332 0.000 0.820 668 V CB 0.834 32.588 31.823 -0.115 0.000 1.028 668 V HN 0.749 8.939 8.190 -0.000 0.000 0.436 669 P HA 0.170 4.590 4.420 -0.000 0.000 0.272 669 P C -0.157 177.059 177.300 -0.140 0.000 1.240 669 P CA -0.243 62.703 63.100 -0.256 0.000 0.791 669 P CB 0.598 32.215 31.700 -0.138 0.000 0.978 670 E N 0.439 120.587 120.200 -0.087 0.000 2.373 670 E HA 0.070 4.420 4.350 -0.000 0.000 0.267 670 E C 1.744 178.323 176.600 -0.036 0.000 1.032 670 E CA 0.172 56.542 56.400 -0.050 0.000 0.889 670 E CB 0.063 29.743 29.700 -0.034 0.000 0.984 670 E HN 0.591 8.951 8.360 -0.000 0.000 0.425 671 G N 2.124 110.937 108.800 0.022 0.000 2.462 671 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.220 671 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.220 671 G C 1.168 176.105 174.900 0.062 0.000 1.121 671 G CA 0.896 46.049 45.100 0.088 0.000 0.758 671 G HN 0.526 8.816 8.290 -0.000 0.000 0.559 672 A N -0.562 122.277 122.820 0.031 0.000 2.220 672 A HA 0.374 4.693 4.320 -0.000 0.000 0.211 672 A C 1.200 178.787 177.584 0.006 0.000 1.176 672 A CA 0.428 52.479 52.037 0.024 0.000 0.834 672 A CB 0.139 19.149 19.000 0.017 0.000 0.868 672 A HN 0.151 8.301 8.150 -0.000 0.000 0.488 673 T N 3.653 118.198 114.554 -0.015 0.000 2.727 673 T HA 0.380 4.730 4.350 -0.000 0.000 0.295 673 T C -2.751 171.928 174.700 -0.034 0.000 0.915 673 T CA -0.834 61.240 62.100 -0.044 0.000 1.066 673 T CB 0.794 69.618 68.868 -0.073 0.000 0.891 673 T HN 0.100 8.340 8.240 -0.000 0.000 0.516 674 P HA 0.250 4.670 4.420 -0.000 0.000 0.267 674 P C -0.404 176.896 177.300 0.001 0.000 1.205 674 P CA -0.175 62.941 63.100 0.026 0.000 0.765 674 P CB 0.536 32.272 31.700 0.061 0.000 0.828 675 K N 1.995 122.445 120.400 0.083 0.000 2.444 675 K HA 0.750 5.070 4.320 -0.000 0.000 0.252 675 K C -0.913 175.849 176.600 0.270 0.000 0.993 675 K CA -0.706 55.666 56.287 0.142 0.000 0.847 675 K CB 2.193 34.726 32.500 0.056 0.000 1.340 675 K HN 0.324 8.574 8.250 -0.000 0.000 0.446 676 D N -1.145 119.493 120.400 0.395 0.000 2.809 676 D HA 0.499 5.139 4.640 -0.000 0.000 0.336 676 D C -1.050 175.359 176.300 0.181 0.000 1.367 676 D CA 0.859 54.999 54.000 0.233 0.000 0.815 676 D CB 1.587 42.484 40.800 0.163 0.000 1.381 676 D HN 0.666 9.036 8.370 -0.000 0.000 0.471 677 G N 0.075 108.893 108.800 0.030 0.000 2.781 677 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.683 677 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.683 677 G C -2.173 172.735 174.900 0.013 0.000 1.390 677 G CA -0.112 44.987 45.100 -0.001 0.000 0.850 677 G HN 0.463 8.753 8.290 -0.000 0.000 0.557 678 P HA 0.297 4.717 4.420 -0.000 0.000 0.261 678 P C 1.351 178.659 177.300 0.013 0.000 1.268 678 P CA 1.189 64.288 63.100 -0.002 0.000 0.833 678 P CB 0.457 32.151 31.700 -0.011 0.000 1.231 679 A N 0.455 123.294 122.820 0.031 0.000 2.206 679 A HA 0.289 4.609 4.320 -0.000 0.000 0.211 679 A C 2.026 179.630 177.584 0.034 0.000 1.158 679 A CA 1.035 53.095 52.037 0.037 0.000 0.761 679 A CB -0.801 18.232 19.000 0.055 0.000 0.801 679 A HN 0.219 8.369 8.150 -0.000 0.000 0.473 680 A N -0.873 121.965 122.820 0.029 0.000 2.308 680 A HA 0.430 4.750 4.320 -0.000 0.000 0.217 680 A C 1.996 179.589 177.584 0.016 0.000 1.216 680 A CA 0.883 52.934 52.037 0.022 0.000 0.864 680 A CB -0.726 18.286 19.000 0.021 0.000 0.902 680 A HN 0.545 8.695 8.150 -0.000 0.000 0.499 681 G N 1.854 110.662 108.800 0.013 0.000 2.491 681 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.218 681 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.218 681 G C 1.501 176.408 174.900 0.012 0.000 1.180 681 G CA 1.509 46.615 45.100 0.009 0.000 0.774 681 G HN 0.881 9.171 8.290 -0.000 0.000 0.562 682 I N -0.418 120.160 120.570 0.014 0.000 2.493 682 I HA 0.313 4.482 4.170 -0.000 0.000 0.254 682 I C 1.852 177.975 176.117 0.011 0.000 1.160 682 I CA 0.473 61.781 61.300 0.013 0.000 1.445 682 I CB -0.471 37.539 38.000 0.017 0.000 1.086 682 I HN 0.202 8.412 8.210 -0.000 0.000 0.433 686 T N 1.255 115.809 114.554 -0.001 0.000 2.684 686 T HA -0.090 4.260 4.350 -0.000 0.000 0.267 686 T C 1.878 176.573 174.700 -0.009 0.000 1.036 686 T CA 2.132 64.227 62.100 -0.008 0.000 1.148 686 T CB -0.468 68.396 68.868 -0.007 0.000 0.863 686 T HN 0.718 8.958 8.240 -0.000 0.000 0.436 687 A N 1.044 123.864 122.820 0.001 0.000 1.902 687 A HA 0.015 4.335 4.320 -0.000 0.000 0.217 687 A C 2.307 179.893 177.584 0.003 0.000 1.181 687 A CA 1.219 53.259 52.037 0.005 0.000 0.623 687 A CB -0.810 18.200 19.000 0.018 0.000 0.818 687 A HN 0.472 8.622 8.150 -0.000 0.000 0.443 688 L N -0.724 120.502 121.223 0.006 0.000 2.027 688 L HA -0.146 4.194 4.340 -0.000 0.000 0.206 688 L C 2.529 179.365 176.870 -0.056 0.000 1.074 688 L CA 1.060 55.897 54.840 -0.005 0.000 0.745 688 L CB -0.630 41.438 42.059 0.014 0.000 0.898 688 L HN 0.226 8.456 8.230 -0.000 0.000 0.433 689 V N -0.776 119.103 119.914 -0.059 0.000 2.332 689 V HA -0.324 3.795 4.120 -0.000 0.000 0.248 689 V C 2.755 178.809 176.094 -0.066 0.000 1.055 689 V CA 2.091 64.343 62.300 -0.081 0.000 1.038 689 V CB -0.480 31.309 31.823 -0.057 0.000 0.651 689 V HN 0.534 8.724 8.190 -0.000 0.000 0.450 690 S N -1.281 114.394 115.700 -0.042 0.000 2.356 690 S HA -0.279 4.191 4.470 -0.000 0.000 0.223 690 S C 2.130 176.711 174.600 -0.031 0.000 1.032 690 S CA 2.054 60.235 58.200 -0.032 0.000 1.005 690 S CB -0.725 62.462 63.200 -0.020 0.000 0.867 690 S HN 0.672 8.982 8.310 -0.000 0.000 0.449 691 c N 1.090 119.673 118.600 -0.027 0.000 2.413 691 c HA 0.023 4.593 4.570 -0.000 0.000 0.276 691 c C 2.551 176.619 174.090 -0.036 0.000 1.236 691 c CA 1.158 57.476 56.329 -0.018 0.000 1.735 691 c CB -1.697 40.813 42.510 0.001 0.000 2.031 691 c HN 0.712 8.942 8.230 -0.000 0.000 0.474 692 L N 0.497 121.673 121.223 -0.077 0.000 2.156 692 L HA -0.025 4.315 4.340 -0.000 0.000 0.208 692 L C 2.613 179.431 176.870 -0.087 0.000 1.095 692 L CA 1.975 56.744 54.840 -0.119 0.000 0.770 692 L CB -0.662 41.228 42.059 -0.280 0.000 0.914 692 L HN 0.565 8.795 8.230 -0.000 0.000 0.439 693 T N -4.659 109.851 114.554 -0.072 0.000 3.040 693 T HA 0.255 4.604 4.350 -0.000 0.000 0.250 693 T C 1.489 176.170 174.700 -0.031 0.000 1.058 693 T CA 0.402 62.471 62.100 -0.050 0.000 0.988 693 T CB 0.657 69.495 68.868 -0.051 0.000 0.993 693 T HN 0.378 8.618 8.240 -0.000 0.000 0.519 694 G N 1.949 110.733 108.800 -0.027 0.000 2.155 694 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.257 694 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.257 694 G C -0.081 174.809 174.900 -0.017 0.000 0.983 694 G CA 0.196 45.286 45.100 -0.017 0.000 0.676 694 G HN 0.782 9.072 8.290 -0.000 0.000 0.528 695 N N 1.298 119.986 118.700 -0.021 0.000 2.415 695 N HA 0.447 5.186 4.740 -0.000 0.000 0.246 695 N C -2.350 173.149 175.510 -0.018 0.000 1.078 695 N CA -1.660 51.378 53.050 -0.019 0.000 0.942 695 N CB 1.161 39.635 38.487 -0.023 0.000 1.140 695 N HN 0.081 8.461 8.380 -0.000 0.000 0.501 696 P HA -0.009 4.411 4.420 -0.000 0.000 0.269 696 P C -0.696 176.594 177.300 -0.015 0.000 1.215 696 P CA -0.276 62.816 63.100 -0.014 0.000 0.780 696 P CB 0.878 32.572 31.700 -0.011 0.000 0.898 697 V N 3.415 123.320 119.914 -0.015 0.000 2.539 697 V HA 0.278 4.398 4.120 -0.000 0.000 0.292 697 V C 0.788 176.872 176.094 -0.017 0.000 1.045 697 V CA -0.540 61.750 62.300 -0.017 0.000 0.945 697 V CB 0.960 32.774 31.823 -0.014 0.000 0.993 697 V HN 0.436 8.626 8.190 -0.000 0.000 0.464 698 R N 2.688 123.176 120.500 -0.020 0.000 2.347 698 R HA 0.385 4.725 4.340 -0.000 0.000 0.304 698 R C 0.991 177.281 176.300 -0.017 0.000 1.072 698 R CA 0.230 56.319 56.100 -0.019 0.000 0.980 698 R CB 0.653 30.938 30.300 -0.025 0.000 0.986 698 R HN 0.880 9.150 8.270 -0.000 0.000 0.448 699 A N 2.927 125.739 122.820 -0.014 0.000 2.206 699 A HA -0.100 4.220 4.320 -0.000 0.000 0.211 699 A C 1.096 178.673 177.584 -0.012 0.000 1.158 699 A CA 0.758 52.787 52.037 -0.012 0.000 0.761 699 A CB -0.089 18.904 19.000 -0.012 0.000 0.801 699 A HN 0.848 8.998 8.150 -0.000 0.000 0.473 700 D N -0.409 119.984 120.400 -0.011 0.000 2.349 700 D HA 0.042 4.682 4.640 -0.000 0.000 0.224 700 D C 0.053 176.350 176.300 -0.005 0.000 1.029 700 D CA 0.279 54.274 54.000 -0.008 0.000 0.879 700 D CB -0.184 40.613 40.800 -0.005 0.000 0.906 700 D HN 0.142 8.512 8.370 -0.000 0.000 0.528 701 V N 0.689 120.597 119.914 -0.010 0.000 2.417 701 V HA 0.680 4.799 4.120 -0.000 0.000 0.291 701 V C 0.368 176.460 176.094 -0.004 0.000 1.024 701 V CA -0.904 61.390 62.300 -0.011 0.000 0.861 701 V CB 1.288 33.092 31.823 -0.031 0.000 0.985 701 V HN 0.351 8.541 8.190 -0.000 0.000 0.436 705 G N 0.847 109.666 108.800 0.032 0.000 2.351 705 G HA2 0.437 4.396 3.960 -0.000 0.000 0.296 705 G HA3 0.437 4.396 3.960 -0.000 0.000 0.296 705 G C -1.658 173.257 174.900 0.025 0.000 1.685 705 G CA -0.874 44.245 45.100 0.032 0.000 0.936 705 G HN 0.900 9.190 8.290 -0.000 0.000 0.714 706 E N 0.419 120.632 120.200 0.022 0.000 2.301 706 E HA 0.570 4.919 4.350 -0.000 0.000 0.275 706 E C -0.656 175.952 176.600 0.014 0.000 1.030 706 E CA -0.744 55.665 56.400 0.014 0.000 0.852 706 E CB 1.278 30.984 29.700 0.009 0.000 1.060 706 E HN 0.414 8.774 8.360 -0.000 0.000 0.401 707 I N 3.370 123.945 120.570 0.008 0.000 2.460 707 I HA 0.274 4.444 4.170 -0.000 0.000 0.298 707 I C -0.228 175.891 176.117 0.003 0.000 0.989 707 I CA -0.234 61.070 61.300 0.007 0.000 1.173 707 I CB 1.741 39.745 38.000 0.007 0.000 1.338 707 I HN 0.685 8.895 8.210 -0.000 0.000 0.456 708 T N 4.321 118.877 114.554 0.003 0.000 2.949 708 T HA 0.433 4.783 4.350 -0.000 0.000 0.287 708 T C 1.249 175.949 174.700 -0.001 0.000 1.034 708 T CA -0.741 61.359 62.100 -0.000 0.000 1.018 708 T CB 0.944 69.812 68.868 -0.000 0.000 1.135 708 T HN 0.496 8.736 8.240 -0.000 0.000 0.532 709 L N -0.091 121.131 121.223 -0.003 0.000 2.191 709 L HA -0.038 4.302 4.340 -0.000 0.000 0.212 709 L C 2.742 179.611 176.870 -0.002 0.000 1.103 709 L CA 1.239 56.077 54.840 -0.003 0.000 0.769 709 L CB -0.475 41.581 42.059 -0.005 0.000 0.908 709 L HN 0.671 8.901 8.230 -0.000 0.000 0.438 710 R N -0.083 120.416 120.500 -0.003 0.000 2.323 710 R HA 0.069 4.409 4.340 -0.000 0.000 0.198 710 R C 1.374 177.673 176.300 -0.003 0.000 0.988 710 R CA 0.617 56.715 56.100 -0.003 0.000 1.041 710 R CB -0.030 30.267 30.300 -0.005 0.000 0.926 710 R HN 0.432 8.702 8.270 -0.000 0.000 0.476 711 G N 0.834 109.634 108.800 -0.001 0.000 2.157 711 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.248 711 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.248 711 G C -0.020 174.880 174.900 0.000 0.000 0.979 711 G CA 0.155 45.255 45.100 -0.000 0.000 0.650 711 G HN 0.453 8.743 8.290 -0.000 0.000 0.529 712 Q N 0.162 119.962 119.800 -0.000 0.000 2.354 712 Q HA 0.556 4.896 4.340 -0.000 0.000 0.244 712 Q C -0.231 175.776 176.000 0.011 0.000 0.969 712 Q CA -0.457 55.347 55.803 0.002 0.000 0.885 712 Q CB 1.240 29.977 28.738 -0.002 0.000 1.241 712 Q HN 0.308 8.578 8.270 -0.000 0.000 0.461 713 V N 5.139 125.066 119.914 0.022 0.000 2.370 713 V HA 0.366 4.486 4.120 -0.000 0.000 0.283 713 V C -0.094 176.026 176.094 0.042 0.000 1.023 713 V CA -0.601 61.719 62.300 0.033 0.000 0.857 713 V CB 1.083 32.934 31.823 0.047 0.000 0.985 713 V HN 0.730 8.920 8.190 -0.000 0.000 0.443 714 L N 7.113 128.356 121.223 0.034 0.000 2.344 714 L HA 0.578 4.918 4.340 -0.000 0.000 0.272 714 L C -2.080 174.811 176.870 0.036 0.000 1.035 714 L CA -1.947 52.913 54.840 0.033 0.000 0.807 714 L CB 2.555 44.626 42.059 0.019 0.000 1.237 714 L HN 0.409 8.639 8.230 -0.000 0.000 0.442 715 P HA 0.166 4.586 4.420 -0.000 0.000 0.272 715 P C -1.080 176.232 177.300 0.021 0.000 1.223 715 P CA -0.181 62.938 63.100 0.031 0.000 0.784 715 P CB 1.099 32.816 31.700 0.028 0.000 0.923 716 I N -1.013 119.569 120.570 0.021 0.000 3.133 716 I HA 0.840 5.010 4.170 -0.000 0.000 0.311 716 I C 0.205 176.332 176.117 0.017 0.000 1.072 716 I CA -1.467 59.844 61.300 0.019 0.000 1.015 716 I CB 0.731 38.748 38.000 0.028 0.000 1.233 716 I HN 0.383 8.593 8.210 -0.000 0.000 0.473 717 G N -0.538 108.273 108.800 0.019 0.000 2.521 717 G HA2 0.526 4.486 3.960 -0.000 0.000 0.323 717 G HA3 0.526 4.486 3.960 -0.000 0.000 0.323 717 G C 0.418 175.345 174.900 0.045 0.000 1.211 717 G CA -0.703 44.410 45.100 0.021 0.000 0.979 717 G HN 1.843 10.133 8.290 -0.000 0.000 0.490 718 G N -0.929 107.899 108.800 0.047 0.000 2.305 718 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.287 718 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.287 718 G C 1.043 175.973 174.900 0.050 0.000 1.036 718 G CA 0.459 45.597 45.100 0.064 0.000 0.887 718 G HN 0.654 8.944 8.290 -0.000 0.000 0.505 719 L N -0.592 120.650 121.223 0.032 0.000 2.042 719 L HA -0.110 4.230 4.340 -0.000 0.000 0.210 719 L C 2.870 179.751 176.870 0.017 0.000 1.076 719 L CA 2.786 57.639 54.840 0.022 0.000 0.749 719 L CB -0.413 41.652 42.059 0.010 0.000 0.893 719 L HN 0.595 8.825 8.230 -0.000 0.000 0.432 720 K N 0.230 120.638 120.400 0.014 0.000 2.001 720 K HA -0.271 4.049 4.320 -0.000 0.000 0.214 720 K C 1.810 178.418 176.600 0.013 0.000 1.050 720 K CA 2.296 58.588 56.287 0.007 0.000 0.934 720 K CB -0.106 32.398 32.500 0.006 0.000 0.718 720 K HN 0.393 8.643 8.250 -0.000 0.000 0.443 721 E N 0.221 120.435 120.200 0.023 0.000 2.085 721 E HA -0.201 4.149 4.350 -0.000 0.000 0.194 721 E C 2.076 178.689 176.600 0.021 0.000 0.994 721 E CA 1.571 57.984 56.400 0.022 0.000 0.801 721 E CB 0.040 29.759 29.700 0.032 0.000 0.743 721 E HN 0.306 8.666 8.360 -0.000 0.000 0.453 722 K N 0.163 120.580 120.400 0.028 0.000 2.025 722 K HA -0.129 4.190 4.320 -0.000 0.000 0.207 722 K C 1.970 178.587 176.600 0.028 0.000 1.049 722 K CA 0.844 57.147 56.287 0.028 0.000 0.933 722 K CB -0.033 32.488 32.500 0.035 0.000 0.714 722 K HN 0.007 8.257 8.250 -0.000 0.000 0.438 723 L N 0.595 121.834 121.223 0.026 0.000 2.156 723 L HA -0.086 4.254 4.340 -0.000 0.000 0.208 723 L C 2.007 178.903 176.870 0.043 0.000 1.095 723 L CA 1.239 56.097 54.840 0.030 0.000 0.770 723 L CB -0.633 41.434 42.059 0.013 0.000 0.914 723 L HN 0.083 8.313 8.230 -0.000 0.000 0.439 724 L N -0.491 120.749 121.223 0.029 0.000 2.046 724 L HA -0.127 4.213 4.340 -0.000 0.000 0.208 724 L C 2.591 179.502 176.870 0.068 0.000 1.077 724 L CA 1.963 56.828 54.840 0.042 0.000 0.747 724 L CB -1.299 40.771 42.059 0.019 0.000 0.896 724 L HN 0.237 8.467 8.230 -0.000 0.000 0.432 725 A N -1.068 121.776 122.820 0.041 0.000 1.929 725 A HA -0.051 4.269 4.320 -0.000 0.000 0.216 725 A C 2.480 180.085 177.584 0.034 0.000 1.176 725 A CA 1.437 53.491 52.037 0.028 0.000 0.628 725 A CB -0.811 18.192 19.000 0.006 0.000 0.816 725 A HN 0.377 8.527 8.150 -0.000 0.000 0.444 726 A N -1.050 121.797 122.820 0.045 0.000 1.883 726 A HA -0.251 4.069 4.320 -0.000 0.000 0.217 726 A C 2.167 179.790 177.584 0.065 0.000 1.186 726 A CA 1.805 53.870 52.037 0.046 0.000 0.624 726 A CB -1.001 18.030 19.000 0.052 0.000 0.822 726 A HN 0.747 8.897 8.150 -0.000 0.000 0.444 727 H N -0.216 118.853 119.070 -0.001 0.000 2.326 727 H HA -0.149 4.407 4.556 -0.000 0.000 0.301 727 H C 2.373 177.698 175.328 -0.004 0.000 1.081 727 H CA 2.059 58.107 56.048 -0.001 0.000 1.334 727 H CB 0.008 29.769 29.762 -0.001 0.000 1.385 727 H HN 0.435 8.715 8.280 -0.000 0.000 0.504 728 R N 1.058 121.591 120.500 0.054 0.000 2.105 728 R HA -0.060 4.280 4.340 -0.000 0.000 0.239 728 R C 2.456 178.726 176.300 -0.050 0.000 1.135 728 R CA 1.793 57.890 56.100 -0.004 0.000 0.967 728 R CB -1.318 29.003 30.300 0.035 0.000 0.861 728 R HN 0.318 8.588 8.270 -0.000 0.000 0.442 729 G N -1.365 107.414 108.800 -0.034 0.000 2.679 729 G HA2 0.112 4.072 3.960 -0.000 0.000 0.212 729 G HA3 0.112 4.072 3.960 -0.000 0.000 0.212 729 G C 0.968 175.833 174.900 -0.059 0.000 1.137 729 G CA 0.437 45.514 45.100 -0.039 0.000 0.787 729 G HN 0.782 9.072 8.290 -0.000 0.000 0.534 730 G N -0.352 108.386 108.800 -0.103 0.000 2.136 730 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.242 730 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.242 730 G C 0.281 175.139 174.900 -0.069 0.000 0.989 730 G CA 0.005 45.038 45.100 -0.112 0.000 0.682 730 G HN 0.314 8.604 8.290 -0.000 0.000 0.522 731 I N 0.155 120.699 120.570 -0.043 0.000 2.474 731 I HA 0.218 4.388 4.170 -0.000 0.000 0.287 731 I C 1.431 177.552 176.117 0.007 0.000 1.048 731 I CA 0.186 61.480 61.300 -0.009 0.000 1.383 731 I CB 1.265 39.271 38.000 0.010 0.000 1.412 731 I HN 0.106 8.316 8.210 -0.000 0.000 0.531 732 K N 2.786 123.194 120.400 0.015 0.000 2.166 732 K HA 0.063 4.383 4.320 -0.000 0.000 0.201 732 K C 0.209 176.845 176.600 0.059 0.000 1.052 732 K CA 0.866 57.172 56.287 0.033 0.000 0.969 732 K CB 0.205 32.720 32.500 0.024 0.000 0.761 732 K HN 0.582 8.832 8.250 -0.000 0.000 0.459 733 T N 0.977 115.564 114.554 0.056 0.000 2.848 733 T HA 0.467 4.816 4.350 -0.000 0.000 0.285 733 T C -1.160 173.584 174.700 0.073 0.000 0.995 733 T CA -0.716 61.435 62.100 0.086 0.000 0.970 733 T CB 2.199 71.101 68.868 0.056 0.000 0.976 733 T HN -0.275 7.965 8.240 -0.000 0.000 0.441 734 V N 4.262 124.240 119.914 0.105 0.000 2.656 734 V HA 0.527 4.646 4.120 -0.000 0.000 0.307 734 V C -0.512 175.645 176.094 0.105 0.000 1.051 734 V CA -1.023 61.325 62.300 0.079 0.000 0.893 734 V CB 1.881 33.742 31.823 0.063 0.000 0.999 734 V HN 0.730 8.920 8.190 -0.000 0.000 0.426 735 L N 5.980 127.245 121.223 0.070 0.000 2.289 735 L HA 0.734 5.073 4.340 -0.000 0.000 0.285 735 L C -0.325 176.584 176.870 0.065 0.000 1.049 735 L CA -0.406 54.481 54.840 0.078 0.000 0.804 735 L CB 1.273 43.356 42.059 0.040 0.000 1.195 735 L HN 0.706 8.936 8.230 -0.000 0.000 0.428 736 I N 0.411 121.025 120.570 0.073 0.000 2.969 736 I HA 0.640 4.810 4.170 -0.000 0.000 0.307 736 I C -2.767 173.390 176.117 0.067 0.000 1.149 736 I CA -2.816 58.516 61.300 0.053 0.000 1.008 736 I CB 2.471 40.489 38.000 0.031 0.000 1.232 736 I HN 0.236 8.446 8.210 -0.000 0.000 0.435 737 P HA 0.070 4.490 4.420 -0.000 0.000 0.265 737 P C 0.151 177.518 177.300 0.112 0.000 1.193 737 P CA 0.121 63.276 63.100 0.091 0.000 0.765 737 P CB 0.274 32.015 31.700 0.067 0.000 0.823 738 F N 3.102 123.061 119.950 0.016 0.000 2.154 738 F HA -0.237 4.290 4.527 -0.000 0.000 0.301 738 F C 1.787 177.591 175.800 0.008 0.000 1.087 738 F CA 1.747 59.754 58.000 0.012 0.000 1.274 738 F CB 0.022 39.029 39.000 0.011 0.000 1.009 738 F HN 0.324 8.624 8.300 -0.000 0.000 0.485 739 E N -0.197 120.096 120.200 0.153 0.000 2.511 739 E HA -0.100 4.249 4.350 -0.000 0.000 0.196 739 E C 1.071 177.669 176.600 -0.004 0.000 1.066 739 E CA 0.510 56.954 56.400 0.074 0.000 0.871 739 E CB -0.558 29.202 29.700 0.100 0.000 0.863 739 E HN 0.594 8.954 8.360 -0.000 0.000 0.520 740 N N 0.175 118.862 118.700 -0.023 0.000 2.336 740 N HA 0.012 4.752 4.740 -0.000 0.000 0.189 740 N C 1.343 176.806 175.510 -0.078 0.000 1.113 740 N CA -0.065 52.964 53.050 -0.034 0.000 0.858 740 N CB 0.315 38.795 38.487 -0.011 0.000 0.970 740 N HN -0.007 8.373 8.380 -0.000 0.000 0.471 741 K N 1.036 121.344 120.400 -0.153 0.000 2.059 741 K HA -0.260 4.060 4.320 -0.000 0.000 0.212 741 K C 2.017 178.546 176.600 -0.118 0.000 1.050 741 K CA 1.455 57.631 56.287 -0.184 0.000 0.927 741 K CB -0.063 32.241 32.500 -0.327 0.000 0.714 741 K HN 0.274 8.524 8.250 -0.000 0.000 0.447 742 R N 1.019 121.462 120.500 -0.096 0.000 2.105 742 R HA -0.177 4.163 4.340 -0.000 0.000 0.239 742 R C 1.243 177.515 176.300 -0.048 0.000 1.135 742 R CA 2.191 58.254 56.100 -0.063 0.000 0.967 742 R CB -0.323 29.951 30.300 -0.044 0.000 0.861 742 R HN 0.098 8.368 8.270 -0.000 0.000 0.442 743 D N 0.980 121.355 120.400 -0.043 0.000 2.218 743 D HA -0.112 4.528 4.640 -0.000 0.000 0.204 743 D C 2.013 178.293 176.300 -0.032 0.000 0.976 743 D CA 1.014 54.996 54.000 -0.030 0.000 0.853 743 D CB -0.092 40.695 40.800 -0.021 0.000 0.939 743 D HN 0.326 8.696 8.370 -0.000 0.000 0.481 744 L N 0.951 122.148 121.223 -0.043 0.000 2.127 744 L HA -0.170 4.170 4.340 -0.000 0.000 0.211 744 L C 2.128 178.974 176.870 -0.039 0.000 1.089 744 L CA 0.956 55.771 54.840 -0.043 0.000 0.757 744 L CB -0.332 41.694 42.059 -0.054 0.000 0.899 744 L HN -0.090 8.140 8.230 -0.000 0.000 0.434 745 E N 0.034 120.211 120.200 -0.039 0.000 2.401 745 E HA -0.182 4.168 4.350 -0.000 0.000 0.199 745 E C 1.146 177.729 176.600 -0.028 0.000 1.023 745 E CA 0.845 57.224 56.400 -0.034 0.000 0.859 745 E CB -0.036 29.644 29.700 -0.033 0.000 0.780 745 E HN 0.394 8.754 8.360 -0.000 0.000 0.523 746 E N -0.298 119.887 120.200 -0.025 0.000 2.569 746 E HA 0.272 4.622 4.350 -0.000 0.000 0.205 746 E C -0.291 176.296 176.600 -0.021 0.000 1.006 746 E CA -0.106 56.282 56.400 -0.021 0.000 0.985 746 E CB 0.394 30.085 29.700 -0.016 0.000 1.060 746 E HN 0.111 8.471 8.360 -0.000 0.000 0.460 747 I N 1.240 121.794 120.570 -0.027 0.000 2.412 747 I HA 0.330 4.499 4.170 -0.000 0.000 0.296 747 I C -2.130 173.963 176.117 -0.041 0.000 0.987 747 I CA -2.727 58.554 61.300 -0.032 0.000 1.180 747 I CB 1.624 39.604 38.000 -0.033 0.000 1.340 747 I HN -0.176 8.034 8.210 -0.000 0.000 0.455 748 P HA -0.062 4.358 4.420 -0.000 0.000 0.261 748 P C -0.051 177.212 177.300 -0.062 0.000 1.173 748 P CA 0.263 63.332 63.100 -0.051 0.000 0.760 748 P CB 0.465 32.130 31.700 -0.059 0.000 0.783 749 D N 2.213 122.583 120.400 -0.051 0.000 2.218 749 D HA -0.147 4.493 4.640 -0.000 0.000 0.204 749 D C 1.491 177.753 176.300 -0.064 0.000 0.976 749 D CA 1.402 55.371 54.000 -0.052 0.000 0.853 749 D CB -0.432 40.345 40.800 -0.038 0.000 0.939 749 D HN 0.581 8.951 8.370 -0.000 0.000 0.481 750 N N 0.105 118.763 118.700 -0.071 0.000 2.223 750 N HA -0.137 4.603 4.740 -0.000 0.000 0.185 750 N C 1.588 177.004 175.510 -0.156 0.000 1.016 750 N CA 1.061 54.062 53.050 -0.083 0.000 0.863 750 N CB -0.320 38.127 38.487 -0.066 0.000 0.983 750 N HN -0.022 8.358 8.380 -0.000 0.000 0.429 751 V N 0.581 120.364 119.914 -0.218 0.000 2.346 751 V HA -0.079 4.041 4.120 -0.000 0.000 0.244 751 V C 2.295 178.252 176.094 -0.229 0.000 1.037 751 V CA 0.940 63.003 62.300 -0.395 0.000 1.029 751 V CB -0.469 31.161 31.823 -0.321 0.000 0.663 751 V HN 0.332 8.522 8.190 -0.000 0.000 0.454 752 I N 0.898 121.393 120.570 -0.125 0.000 2.361 752 I HA -0.181 3.989 4.170 -0.000 0.000 0.251 752 I C 2.682 178.771 176.117 -0.046 0.000 1.133 752 I CA 1.779 63.039 61.300 -0.068 0.000 1.413 752 I CB -1.612 36.354 38.000 -0.057 0.000 1.073 752 I HN 0.303 8.513 8.210 -0.000 0.000 0.424 753 A N 0.533 123.323 122.820 -0.049 0.000 1.972 753 A HA -0.201 4.119 4.320 -0.000 0.000 0.219 753 A C 1.772 179.356 177.584 0.000 0.000 1.169 753 A CA 1.780 53.802 52.037 -0.025 0.000 0.635 753 A CB -0.507 18.479 19.000 -0.024 0.000 0.810 753 A HN 0.346 8.496 8.150 -0.000 0.000 0.446 754 D N -0.707 119.701 120.400 0.012 0.000 2.349 754 D HA 0.179 4.819 4.640 -0.000 0.000 0.224 754 D C 0.092 176.456 176.300 0.107 0.000 1.029 754 D CA 0.396 54.450 54.000 0.090 0.000 0.879 754 D CB 0.063 41.005 40.800 0.235 0.000 0.906 754 D HN 0.374 8.744 8.370 -0.000 0.000 0.528 755 L N 0.640 121.902 121.223 0.066 0.000 2.329 755 L HA 0.292 4.632 4.340 -0.000 0.000 0.279 755 L C -0.081 176.813 176.870 0.041 0.000 1.014 755 L CA -1.017 53.865 54.840 0.070 0.000 0.814 755 L CB 1.987 44.083 42.059 0.063 0.000 1.257 755 L HN -0.318 7.912 8.230 -0.000 0.000 0.424 756 D N 4.000 124.436 120.400 0.060 0.000 2.393 756 D HA 0.325 4.965 4.640 -0.000 0.000 0.232 756 D C -0.495 175.856 176.300 0.085 0.000 1.192 756 D CA 0.035 54.066 54.000 0.053 0.000 0.882 756 D CB 0.389 41.261 40.800 0.120 0.000 1.038 756 D HN 0.238 8.608 8.370 -0.000 0.000 0.499 757 I N 4.161 124.720 120.570 -0.020 0.000 2.321 757 I HA 0.183 4.352 4.170 -0.000 0.000 0.291 757 I C 0.130 176.186 176.117 -0.102 0.000 0.998 757 I CA -0.693 60.611 61.300 0.007 0.000 1.227 757 I CB 1.147 39.137 38.000 -0.016 0.000 1.368 757 I HN 0.286 8.496 8.210 -0.000 0.000 0.466 758 H N 6.838 125.917 119.070 0.015 0.000 2.691 758 H HA 0.296 4.851 4.556 -0.000 0.000 0.281 758 H C -2.421 172.932 175.328 0.041 0.000 1.121 758 H CA -1.858 54.208 56.048 0.029 0.000 1.254 758 H CB 1.179 30.960 29.762 0.033 0.000 1.390 758 H HN 0.239 8.519 8.280 -0.000 0.000 0.491 759 P HA 0.011 4.431 4.420 -0.000 0.000 0.276 759 P C -0.323 177.136 177.300 0.264 0.000 1.235 759 P CA -0.334 62.838 63.100 0.120 0.000 0.772 759 P CB 1.124 32.789 31.700 -0.058 0.000 0.871 760 V N 0.790 120.845 119.914 0.236 0.000 2.735 760 V HA 0.482 4.602 4.120 -0.000 0.000 0.310 760 V C 0.586 176.779 176.094 0.165 0.000 1.061 760 V CA -0.601 61.809 62.300 0.183 0.000 0.913 760 V CB 2.552 34.441 31.823 0.110 0.000 1.005 760 V HN 0.324 8.514 8.190 -0.000 0.000 0.428 761 K N 1.772 122.215 120.400 0.073 0.000 2.308 761 K HA 0.399 4.719 4.320 -0.000 0.000 0.197 761 K C 0.395 176.995 176.600 0.001 0.000 1.049 761 K CA 0.277 56.565 56.287 0.001 0.000 0.991 761 K CB 0.465 32.877 32.500 -0.146 0.000 0.836 761 K HN 0.683 8.933 8.250 -0.000 0.000 0.500 762 R N -0.262 120.242 120.500 0.005 0.000 2.739 762 R HA 0.194 4.534 4.340 -0.000 0.000 0.271 762 R C 0.287 176.591 176.300 0.007 0.000 1.010 762 R CA -0.494 55.605 56.100 -0.001 0.000 0.897 762 R CB 1.124 31.414 30.300 -0.016 0.000 1.236 762 R HN -0.124 8.146 8.270 -0.000 0.000 0.466 763 I N 2.553 123.125 120.570 0.004 0.000 2.286 763 I HA -0.246 3.924 4.170 -0.000 0.000 0.248 763 I C 2.196 178.313 176.117 -0.000 0.000 1.115 763 I CA 1.754 63.057 61.300 0.004 0.000 1.392 763 I CB -0.097 37.905 38.000 0.002 0.000 1.065 763 I HN 0.678 8.888 8.210 -0.000 0.000 0.418 764 E N 0.288 120.487 120.200 -0.002 0.000 2.118 764 E HA -0.296 4.054 4.350 -0.000 0.000 0.195 764 E C 1.771 178.369 176.600 -0.003 0.000 0.992 764 E CA 1.846 58.243 56.400 -0.004 0.000 0.804 764 E CB -0.769 28.928 29.700 -0.005 0.000 0.741 764 E HN 0.656 9.016 8.360 -0.000 0.000 0.458 765 E N 0.929 121.131 120.200 0.003 0.000 2.107 765 E HA -0.112 4.238 4.350 -0.000 0.000 0.191 765 E C 2.406 179.008 176.600 0.002 0.000 0.982 765 E CA 1.253 57.658 56.400 0.010 0.000 0.809 765 E CB -0.109 29.607 29.700 0.028 0.000 0.756 765 E HN 0.268 8.628 8.360 -0.000 0.000 0.459 766 V N 0.635 120.551 119.914 0.004 0.000 2.343 766 V HA -0.219 3.901 4.120 -0.000 0.000 0.247 766 V C 1.938 178.021 176.094 -0.019 0.000 1.051 766 V CA 1.498 63.795 62.300 -0.005 0.000 1.036 766 V CB -0.396 31.431 31.823 0.005 0.000 0.654 766 V HN 0.216 8.406 8.190 -0.000 0.000 0.451 767 L N 0.361 121.575 121.223 -0.015 0.000 2.093 767 L HA -0.111 4.228 4.340 -0.000 0.000 0.208 767 L C 2.793 179.648 176.870 -0.025 0.000 1.085 767 L CA 2.117 56.945 54.840 -0.020 0.000 0.755 767 L CB -1.141 40.908 42.059 -0.017 0.000 0.904 767 L HN 0.351 8.581 8.230 -0.000 0.000 0.435 768 T N 0.235 114.776 114.554 -0.023 0.000 2.788 768 T HA -0.122 4.228 4.350 -0.000 0.000 0.268 768 T C 1.933 176.607 174.700 -0.042 0.000 1.044 768 T CA 1.216 63.301 62.100 -0.025 0.000 1.139 768 T CB -0.132 68.727 68.868 -0.016 0.000 0.867 768 T HN 0.194 8.434 8.240 -0.000 0.000 0.454 769 L N 0.102 121.288 121.223 -0.062 0.000 2.209 769 L HA 0.186 4.526 4.340 -0.000 0.000 0.207 769 L C 2.727 179.540 176.870 -0.095 0.000 1.094 769 L CA 0.752 55.524 54.840 -0.113 0.000 0.790 769 L CB -0.301 41.645 42.059 -0.189 0.000 0.932 769 L HN 0.210 8.440 8.230 -0.000 0.000 0.447 770 A N -0.765 122.017 122.820 -0.063 0.000 2.063 770 A HA 0.249 4.569 4.320 -0.000 0.000 0.211 770 A C 1.036 178.598 177.584 -0.036 0.000 1.177 770 A CA -0.001 52.007 52.037 -0.049 0.000 0.759 770 A CB 0.062 19.041 19.000 -0.035 0.000 0.857 770 A HN 0.156 8.306 8.150 -0.000 0.000 0.468 771 L N 0.224 121.427 121.223 -0.033 0.000 2.312 771 L HA 0.186 4.526 4.340 -0.000 0.000 0.281 771 L C 1.566 178.421 176.870 -0.025 0.000 1.070 771 L CA -0.328 54.496 54.840 -0.026 0.000 0.805 771 L CB 1.331 43.376 42.059 -0.024 0.000 1.174 771 L HN 0.522 8.752 8.230 -0.000 0.000 0.434 772 Q N 2.513 122.300 119.800 -0.021 0.000 2.020 772 Q HA -0.104 4.236 4.340 -0.000 0.000 0.202 772 Q C 0.089 176.080 176.000 -0.016 0.000 0.982 772 Q CA 1.215 57.008 55.803 -0.018 0.000 0.838 772 Q CB 0.339 29.068 28.738 -0.015 0.000 0.899 772 Q HN 0.620 8.890 8.270 -0.000 0.000 0.423 773 N N 1.625 120.315 118.700 -0.015 0.000 2.473 773 N HA 0.106 4.846 4.740 -0.000 0.000 0.291 773 N C -1.253 174.249 175.510 -0.014 0.000 1.083 773 N CA -0.141 52.901 53.050 -0.013 0.000 0.951 773 N CB 1.472 39.952 38.487 -0.012 0.000 1.164 773 N HN 0.198 8.578 8.380 -0.000 0.000 0.480 774 E N 2.353 122.546 120.200 -0.012 0.000 2.406 774 E HA 0.069 4.419 4.350 -0.000 0.000 0.258 774 E C -1.636 174.957 176.600 -0.012 0.000 1.043 774 E CA -0.984 55.409 56.400 -0.012 0.000 0.929 774 E CB 0.319 30.014 29.700 -0.008 0.000 0.969 774 E HN 0.337 8.697 8.360 -0.000 0.000 0.462 775 P HA 0.000 4.420 4.420 -0.000 0.000 0.216 775 P CA 0.000 63.091 63.100 -0.016 0.000 0.800 775 P CB 0.000 31.689 31.700 -0.019 0.000 0.726