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 2p0c_1_A DATA FIRST_RESID 575 DATA SEQUENCE NKLEDVVIDR NLLILGKILG EXXFGSVMEG NLKQEDGTSL KVAVKTMXXX DATA SEQUENCE XXXXXXXXEF LSEAACMKDF SHPNVIRLLG VCIXXXXXXX PKPMVILPFM DATA SEQUENCE KYGDLHTYLL YSRLETGPKH IPLQTLLKFM VDIALGMEYL SNRNFLHRDL DATA SEQUENCE AARNCMLRDD MTVCVADFGL XXXXXXXXXX XXXXXXXXPV KWIAIESLAD DATA SEQUENCE RVYTSKSDVW AFGVTMWEIA TRGMTPYPGV QNHEMYDYLL HGHRLKQPED DATA SEQUENCE CLDELYEIMY SCWRTDPLDR PTFSVLRLQL EKLLESL 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 575 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 575 N C 0.000 175.504 175.510 -0.010 0.000 1.280 575 N CA 0.000 53.047 53.050 -0.005 0.000 0.885 575 N CB 0.000 38.485 38.487 -0.003 0.000 1.341 576 K N 0.427 120.820 120.400 -0.011 0.000 2.280 576 K HA 0.303 -3.952 4.320 -14.292 0.000 0.202 576 K C 2.192 178.779 176.600 -0.022 0.000 1.047 576 K CA 1.210 57.489 56.287 -0.014 0.000 0.942 576 K CB -1.323 31.170 32.500 -0.013 0.000 0.739 576 K HN 1.309 9.559 8.250 -0.000 0.000 0.457 577 L N 1.244 122.452 121.223 -0.025 0.000 2.798 577 L HA 0.398 -3.838 4.340 -14.292 0.000 0.254 577 L C 2.269 179.116 176.870 -0.039 0.000 1.176 577 L CA 1.646 56.462 54.840 -0.039 0.000 0.991 577 L CB -2.377 39.682 42.059 -0.000 0.000 1.225 577 L HN 0.581 8.811 8.230 -0.000 0.000 0.420 578 E N -1.375 118.808 120.200 -0.028 0.000 2.385 578 E HA -0.107 -4.333 4.350 -14.292 0.000 0.194 578 E C 1.712 178.295 176.600 -0.028 0.000 1.013 578 E CA 0.668 57.053 56.400 -0.024 0.000 0.866 578 E CB -0.393 29.298 29.700 -0.015 0.000 0.832 578 E HN 0.785 9.145 8.360 -0.000 0.000 0.500 579 D N 0.187 120.567 120.400 -0.033 0.000 2.123 579 D HA -0.144 -4.079 4.640 -14.292 0.000 0.196 579 D C 1.966 178.240 176.300 -0.042 0.000 0.992 579 D CA 1.578 55.557 54.000 -0.034 0.000 0.833 579 D CB -0.241 40.538 40.800 -0.035 0.000 0.954 579 D HN 0.318 8.688 8.370 -0.000 0.000 0.455 580 V N 0.983 120.862 119.914 -0.059 0.000 2.759 580 V HA -0.106 -4.562 4.120 -14.292 0.000 0.256 580 V C 0.807 176.865 176.094 -0.060 0.000 1.080 580 V CA 0.588 62.842 62.300 -0.076 0.000 1.101 580 V CB 0.089 31.842 31.823 -0.117 0.000 0.698 580 V HN -0.112 8.078 8.190 -0.000 0.000 0.477 581 V N 2.078 121.966 119.914 -0.043 0.000 2.521 581 V HA 0.193 -4.263 4.120 -14.292 0.000 0.286 581 V C 0.194 176.277 176.094 -0.017 0.000 1.034 581 V CA 0.219 62.505 62.300 -0.024 0.000 1.045 581 V CB 0.827 32.642 31.823 -0.012 0.000 0.974 581 V HN 0.218 8.408 8.190 -0.000 0.000 0.480 582 I N 3.234 123.798 120.570 -0.010 0.000 2.460 582 I HA 0.319 -4.087 4.170 -14.292 0.000 0.298 582 I C 0.065 176.180 176.117 -0.002 0.000 0.989 582 I CA -0.601 60.694 61.300 -0.008 0.000 1.173 582 I CB 1.793 39.789 38.000 -0.007 0.000 1.338 582 I HN 0.541 8.751 8.210 -0.000 0.000 0.456 583 D N 3.764 124.162 120.400 -0.003 0.000 2.390 583 D HA 0.042 -3.893 4.640 -14.292 0.000 0.249 583 D C 1.116 177.415 176.300 -0.001 0.000 1.144 583 D CA 0.011 54.010 54.000 -0.002 0.000 0.880 583 D CB 0.901 41.699 40.800 -0.003 0.000 1.182 583 D HN 0.229 8.599 8.370 -0.000 0.000 0.451 584 R N 2.956 123.457 120.500 0.000 0.000 2.127 584 R HA -0.136 -4.371 4.340 -14.292 0.000 0.238 584 R C 1.237 177.535 176.300 -0.004 0.000 1.134 584 R CA 1.441 57.540 56.100 -0.000 0.000 0.975 584 R CB -0.773 29.527 30.300 0.001 0.000 0.865 584 R HN 0.764 9.034 8.270 -0.000 0.000 0.447 585 N N -0.367 118.331 118.700 -0.004 0.000 2.521 585 N HA -0.075 -3.910 4.740 -14.292 0.000 0.188 585 N C 1.077 176.582 175.510 -0.008 0.000 1.146 585 N CA 0.238 53.285 53.050 -0.006 0.000 0.893 585 N CB -0.015 38.469 38.487 -0.006 0.000 0.975 585 N HN 0.221 8.601 8.380 -0.000 0.000 0.451 586 L N 0.045 121.264 121.223 -0.007 0.000 2.567 586 L HA 0.253 -3.983 4.340 -14.292 0.000 0.225 586 L C 0.067 176.931 176.870 -0.010 0.000 1.119 586 L CA -0.121 54.715 54.840 -0.008 0.000 0.871 586 L CB 0.171 42.225 42.059 -0.007 0.000 1.036 586 L HN 0.192 8.422 8.230 -0.000 0.000 0.459 587 L N 0.744 121.962 121.223 -0.009 0.000 2.322 587 L HA 0.504 -3.731 4.340 -14.292 0.000 0.281 587 L C -0.609 176.252 176.870 -0.015 0.000 1.014 587 L CA -0.233 54.600 54.840 -0.011 0.000 0.815 587 L CB 1.431 43.486 42.059 -0.007 0.000 1.247 587 L HN -0.205 8.025 8.230 -0.000 0.000 0.421 588 I N 6.194 126.751 120.570 -0.021 0.000 2.406 588 I HA 0.371 -4.034 4.170 -14.292 0.000 0.290 588 I C -0.400 175.699 176.117 -0.030 0.000 0.999 588 I CA -0.476 60.809 61.300 -0.025 0.000 1.124 588 I CB 1.616 39.598 38.000 -0.029 0.000 1.289 588 I HN 0.499 8.709 8.210 -0.000 0.000 0.441 589 L N 5.365 126.571 121.223 -0.027 0.000 2.322 589 L HA 0.717 -3.518 4.340 -14.292 0.000 0.279 589 L C 0.808 177.657 176.870 -0.035 0.000 1.036 589 L CA -0.205 54.617 54.840 -0.029 0.000 0.807 589 L CB 1.887 43.932 42.059 -0.023 0.000 1.226 589 L HN 0.738 8.968 8.230 -0.000 0.000 0.433 590 G N 2.069 110.844 108.800 -0.042 0.000 3.407 590 G HA2 0.350 -4.265 3.960 -14.292 0.000 0.187 590 G HA3 0.350 -4.265 3.960 -14.292 0.000 0.187 590 G C -0.674 174.204 174.900 -0.035 0.000 1.262 590 G CA -0.555 44.519 45.100 -0.044 0.000 0.808 590 G HN 0.447 8.737 8.290 -0.000 0.000 0.687 591 K N 0.390 120.767 120.400 -0.038 0.000 2.219 591 K HA 0.296 -3.960 4.320 -14.292 0.000 0.258 591 K C -0.033 176.561 176.600 -0.010 0.000 1.008 591 K CA -0.305 55.969 56.287 -0.022 0.000 0.928 591 K CB 1.019 33.507 32.500 -0.019 0.000 0.983 591 K HN 0.122 8.372 8.250 -0.000 0.000 0.484 592 I N 3.450 124.018 120.570 -0.004 0.000 2.588 592 I HA -0.083 -4.489 4.170 -14.292 0.000 0.283 592 I C 1.289 177.421 176.117 0.024 0.000 1.119 592 I CA 0.488 61.789 61.300 0.002 0.000 1.419 592 I CB 0.113 38.110 38.000 -0.006 0.000 1.394 592 I HN 0.636 8.846 8.210 -0.000 0.000 0.562 593 L N 4.755 126.000 121.223 0.037 0.000 2.253 593 L HA 0.305 -3.930 4.340 -14.292 0.000 0.205 593 L C 1.045 177.941 176.870 0.043 0.000 1.078 593 L CA 0.351 55.232 54.840 0.068 0.000 0.805 593 L CB 0.031 42.156 42.059 0.111 0.000 0.963 593 L HN 0.827 9.057 8.230 -0.000 0.000 0.459 594 G N -1.009 107.800 108.800 0.015 0.000 2.523 594 G HA2 0.457 -4.159 3.960 -14.292 0.000 0.291 594 G HA3 0.457 -4.159 3.960 -14.292 0.000 0.291 594 G C -1.949 172.930 174.900 -0.034 0.000 1.450 594 G CA -0.337 44.764 45.100 0.001 0.000 0.790 594 G HN -0.176 8.114 8.290 -0.000 0.000 0.496 599 G N 2.137 110.447 108.800 -0.816 0.000 2.398 599 G HA2 0.411 -4.204 3.960 -14.292 0.000 0.251 599 G HA3 0.411 -4.204 3.960 -14.292 0.000 0.251 599 G C -1.732 172.898 174.900 -0.451 0.000 1.277 599 G CA -0.275 44.466 45.100 -0.599 0.000 0.927 599 G HN 0.852 9.142 8.290 -0.000 0.000 0.477 600 S N -0.934 114.615 115.700 -0.252 0.000 2.578 600 S HA 0.683 -3.423 4.470 -14.292 0.000 0.283 600 S C -0.356 174.179 174.600 -0.108 0.000 1.195 600 S CA -0.273 57.827 58.200 -0.166 0.000 1.050 600 S CB 1.827 64.959 63.200 -0.114 0.000 1.012 600 S HN 1.635 9.945 8.310 -0.000 0.000 0.511 601 V N 4.346 124.215 119.914 -0.074 0.000 2.448 601 V HA 0.671 -3.784 4.120 -14.292 0.000 0.295 601 V C -1.044 175.047 176.094 -0.004 0.000 1.025 601 V CA -0.573 61.708 62.300 -0.032 0.000 0.859 601 V CB 1.157 32.967 31.823 -0.022 0.000 0.988 601 V HN 0.943 9.133 8.190 -0.000 0.000 0.431 602 M N 4.825 124.430 119.600 0.008 0.000 2.602 602 M HA 0.568 -3.527 4.480 -14.292 0.000 0.312 602 M C -0.589 175.731 176.300 0.034 0.000 1.181 602 M CA -0.758 54.550 55.300 0.012 0.000 0.910 602 M CB 2.400 34.994 32.600 -0.010 0.000 1.723 602 M HN 0.865 9.155 8.290 -0.000 0.000 0.459 603 E N 0.456 120.661 120.200 0.008 0.000 2.366 603 E HA 0.712 -3.513 4.350 -14.292 0.000 0.266 603 E C -0.189 176.363 176.600 -0.080 0.000 1.051 603 E CA -0.614 55.748 56.400 -0.064 0.000 0.884 603 E CB 0.912 30.486 29.700 -0.210 0.000 1.006 603 E HN 0.745 9.105 8.360 -0.000 0.000 0.417 604 G N 1.074 109.815 108.800 -0.098 0.000 2.649 604 G HA2 0.408 -4.207 3.960 -14.292 0.000 0.290 604 G HA3 0.408 -4.207 3.960 -14.292 0.000 0.290 604 G C -1.517 173.335 174.900 -0.080 0.000 1.426 604 G CA -1.134 43.922 45.100 -0.073 0.000 0.794 604 G HN 0.438 8.728 8.290 -0.000 0.000 0.483 605 N N -0.227 118.438 118.700 -0.058 0.000 2.372 605 N HA 0.540 -3.295 4.740 -14.292 0.000 0.285 605 N C -1.175 174.319 175.510 -0.027 0.000 1.008 605 N CA -0.484 52.538 53.050 -0.047 0.000 0.880 605 N CB 2.291 40.749 38.487 -0.048 0.000 1.239 605 N HN 0.490 8.870 8.380 -0.000 0.000 0.484 606 L N 1.435 122.648 121.223 -0.017 0.000 2.287 606 L HA 0.439 -3.797 4.340 -14.292 0.000 0.287 606 L C 0.002 176.865 176.870 -0.011 0.000 1.022 606 L CA -0.483 54.350 54.840 -0.011 0.000 0.814 606 L CB 0.673 42.730 42.059 -0.004 0.000 1.217 606 L HN 0.233 8.463 8.230 -0.000 0.000 0.420 607 K N 4.511 124.905 120.400 -0.011 0.000 2.339 607 K HA 0.236 -4.020 4.320 -14.292 0.000 0.286 607 K C -0.659 175.936 176.600 -0.008 0.000 1.050 607 K CA 0.078 56.359 56.287 -0.010 0.000 0.956 607 K CB 0.622 33.116 32.500 -0.010 0.000 0.990 607 K HN 0.759 9.009 8.250 -0.000 0.000 0.475 608 Q N 2.118 121.914 119.800 -0.007 0.000 2.204 608 Q HA 0.093 -4.143 4.340 -14.292 0.000 0.254 608 Q C 0.515 176.512 176.000 -0.006 0.000 0.981 608 Q CA -0.563 55.236 55.803 -0.006 0.000 0.897 608 Q CB 1.189 29.925 28.738 -0.004 0.000 1.273 608 Q HN 0.468 8.738 8.270 -0.000 0.000 0.464 609 E N 0.751 120.948 120.200 -0.005 0.000 2.219 609 E HA -0.235 -4.460 4.350 -14.292 0.000 0.198 609 E C 1.020 177.617 176.600 -0.004 0.000 0.998 609 E CA 1.222 57.618 56.400 -0.005 0.000 0.818 609 E CB 0.108 29.805 29.700 -0.005 0.000 0.741 609 E HN 0.514 8.874 8.360 -0.000 0.000 0.477 610 D N -1.595 118.803 120.400 -0.004 0.000 2.263 610 D HA -0.094 -4.029 4.640 -14.292 0.000 0.208 610 D C 1.438 177.736 176.300 -0.004 0.000 0.971 610 D CA 1.344 55.342 54.000 -0.004 0.000 0.867 610 D CB -0.018 40.780 40.800 -0.003 0.000 0.929 610 D HN 0.335 8.705 8.370 -0.000 0.000 0.492 611 G N -0.621 108.176 108.800 -0.005 0.000 2.284 611 G HA2 -0.266 -4.882 3.960 -14.292 0.000 0.230 611 G HA3 -0.266 -4.882 3.960 -14.292 0.000 0.230 611 G C 0.673 175.569 174.900 -0.007 0.000 1.021 611 G CA 0.744 45.841 45.100 -0.006 0.000 0.619 611 G HN 0.621 8.911 8.290 -0.000 0.000 0.510 612 T N -0.614 113.936 114.554 -0.006 0.000 2.882 612 T HA 0.665 -3.561 4.350 -14.292 0.000 0.287 612 T C 0.221 174.916 174.700 -0.008 0.000 1.014 612 T CA 0.596 62.691 62.100 -0.007 0.000 1.049 612 T CB 1.904 70.769 68.868 -0.005 0.000 1.001 612 T HN 0.518 8.758 8.240 -0.000 0.000 0.525 613 S N 1.132 116.825 115.700 -0.011 0.000 2.475 613 S HA 0.607 -3.499 4.470 -14.292 0.000 0.298 613 S C -0.758 173.834 174.600 -0.013 0.000 1.119 613 S CA -0.785 57.407 58.200 -0.014 0.000 1.085 613 S CB 0.908 64.097 63.200 -0.020 0.000 1.028 613 S HN 0.732 9.042 8.310 -0.000 0.000 0.489 614 L N 3.276 124.493 121.223 -0.010 0.000 2.329 614 L HA 0.616 -3.620 4.340 -14.292 0.000 0.279 614 L C -0.416 176.450 176.870 -0.007 0.000 1.014 614 L CA -0.676 54.163 54.840 -0.002 0.000 0.814 614 L CB 1.147 43.211 42.059 0.008 0.000 1.257 614 L HN 0.353 8.583 8.230 -0.000 0.000 0.424 615 K N 3.408 123.806 120.400 -0.004 0.000 2.412 615 K HA 0.434 -3.821 4.320 -14.292 0.000 0.284 615 K C -0.852 175.791 176.600 0.071 0.000 1.046 615 K CA 0.090 56.363 56.287 -0.023 0.000 0.999 615 K CB 0.168 32.630 32.500 -0.062 0.000 0.941 615 K HN 0.475 8.725 8.250 -0.000 0.000 0.474 616 V N 0.587 120.529 119.914 0.046 0.000 3.046 616 V HA 0.935 -3.521 4.120 -14.292 0.000 0.316 616 V C -0.526 175.668 176.094 0.168 0.000 1.104 616 V CA -1.204 61.161 62.300 0.109 0.000 1.006 616 V CB 1.810 33.662 31.823 0.049 0.000 1.058 616 V HN 0.700 8.890 8.190 -0.000 0.000 0.440 617 A N 1.567 124.496 122.820 0.182 0.000 2.337 617 A HA 0.871 -3.384 4.320 -14.292 0.000 0.329 617 A C -0.740 176.885 177.584 0.067 0.000 1.146 617 A CA -0.687 51.447 52.037 0.163 0.000 0.800 617 A CB 1.654 20.752 19.000 0.163 0.000 1.220 617 A HN 1.397 9.547 8.150 -0.000 0.000 0.472 618 V N 3.309 123.250 119.914 0.045 0.000 2.409 618 V HA 0.294 -4.161 4.120 -14.292 0.000 0.290 618 V C -0.253 175.842 176.094 0.002 0.000 1.017 618 V CA -0.596 61.714 62.300 0.017 0.000 0.841 618 V CB 1.305 33.134 31.823 0.009 0.000 1.003 618 V HN 0.869 9.059 8.190 -0.000 0.000 0.426 619 K N 3.187 123.585 120.400 -0.004 0.000 2.234 619 K HA 0.532 -3.724 4.320 -14.292 0.000 0.277 619 K C 0.348 176.935 176.600 -0.021 0.000 1.038 619 K CA -0.364 55.910 56.287 -0.022 0.000 0.888 619 K CB 1.751 34.236 32.500 -0.025 0.000 1.091 619 K HN 0.817 9.067 8.250 -0.000 0.000 0.467 620 T N 1.013 115.538 114.554 -0.049 0.000 2.922 620 T HA 0.692 -3.534 4.350 -14.292 0.000 0.285 620 T C 0.154 174.807 174.700 -0.079 0.000 1.005 620 T CA -0.797 61.270 62.100 -0.056 0.000 1.061 620 T CB 0.831 69.660 68.868 -0.066 0.000 1.007 620 T HN 0.717 8.957 8.240 -0.000 0.000 0.502 634 F N 1.525 121.476 119.950 0.002 0.000 2.815 634 F HA 0.459 -3.590 4.527 -14.294 0.000 0.323 634 F C 0.732 176.535 175.800 0.005 0.000 1.151 634 F CA -0.438 57.566 58.000 0.005 0.000 1.191 634 F CB 0.053 39.056 39.000 0.005 0.000 1.069 634 F HN -0.060 8.240 8.300 -0.000 0.000 0.514 635 L N -0.049 121.059 121.223 -0.193 0.000 2.156 635 L HA -0.080 -4.316 4.340 -14.292 0.000 0.208 635 L C 2.752 179.480 176.870 -0.237 0.000 1.095 635 L CA 1.281 55.932 54.840 -0.314 0.000 0.770 635 L CB -0.718 41.263 42.059 -0.130 0.000 0.914 635 L HN 0.504 8.734 8.230 -0.000 0.000 0.439 636 S N 0.195 115.820 115.700 -0.126 0.000 2.370 636 S HA -0.284 -4.389 4.470 -14.292 0.000 0.226 636 S C 1.963 176.513 174.600 -0.084 0.000 1.033 636 S CA 1.928 60.080 58.200 -0.080 0.000 1.011 636 S CB -0.110 63.074 63.200 -0.027 0.000 0.852 636 S HN 0.504 8.814 8.310 -0.000 0.000 0.457 637 E N 0.173 120.328 120.200 -0.074 0.000 2.072 637 E HA -0.077 -4.303 4.350 -14.292 0.000 0.191 637 E C 2.139 178.678 176.600 -0.101 0.000 0.985 637 E CA 0.971 57.370 56.400 -0.002 0.000 0.801 637 E CB -0.420 29.325 29.700 0.076 0.000 0.750 637 E HN 0.636 8.996 8.360 -0.000 0.000 0.452 638 A N 1.078 123.741 122.820 -0.262 0.000 1.933 638 A HA -0.076 -4.332 4.320 -14.292 0.000 0.218 638 A C 2.361 179.796 177.584 -0.248 0.000 1.175 638 A CA 1.664 53.519 52.037 -0.304 0.000 0.628 638 A CB -0.673 18.033 19.000 -0.490 0.000 0.814 638 A HN 0.406 8.556 8.150 -0.000 0.000 0.444 639 A N -1.151 121.540 122.820 -0.215 0.000 1.898 639 A HA -0.182 -4.438 4.320 -14.292 0.000 0.216 639 A C 2.380 179.837 177.584 -0.211 0.000 1.181 639 A CA 1.593 53.525 52.037 -0.175 0.000 0.620 639 A CB -1.386 17.538 19.000 -0.128 0.000 0.819 639 A HN 0.744 8.894 8.150 -0.000 0.000 0.442 640 C N -0.536 118.632 119.300 -0.220 0.000 2.436 640 C HA -0.119 -4.235 4.460 -14.292 0.000 0.277 640 C C 2.755 177.297 174.990 -0.746 0.000 1.241 640 C CA 1.651 60.483 59.018 -0.310 0.000 1.721 640 C CB -1.251 26.411 27.740 -0.131 0.000 2.043 640 C HN 0.637 8.867 8.230 -0.000 0.000 0.472 641 M N 0.207 119.351 119.600 -0.759 0.000 2.213 641 M HA -0.148 -4.243 4.480 -14.292 0.000 0.263 641 M C 2.267 178.214 176.300 -0.589 0.000 1.062 641 M CA 1.792 56.483 55.300 -1.016 0.000 1.105 641 M CB -0.485 31.903 32.600 -0.353 0.000 1.385 641 M HN 0.414 8.704 8.290 -0.000 0.000 0.417 642 K N 0.334 120.523 120.400 -0.352 0.000 2.147 642 K HA -0.185 -4.441 4.320 -14.292 0.000 0.205 642 K C 0.906 177.421 176.600 -0.142 0.000 1.049 642 K CA 1.367 57.543 56.287 -0.185 0.000 0.936 642 K CB 0.071 32.485 32.500 -0.144 0.000 0.722 642 K HN 0.238 8.489 8.250 -0.000 0.000 0.446 643 D N -0.255 120.013 120.400 -0.220 0.000 2.347 643 D HA -0.032 -3.967 4.640 -14.292 0.000 0.213 643 D C -0.198 176.158 176.300 0.092 0.000 0.985 643 D CA 0.307 54.258 54.000 -0.082 0.000 0.879 643 D CB 0.024 40.771 40.800 -0.088 0.000 0.919 643 D HN 0.012 8.382 8.370 -0.000 0.000 0.526 644 F N 1.023 121.002 119.950 0.048 0.000 2.578 644 F HA 0.166 -3.881 4.527 -14.290 0.000 0.376 644 F C 1.113 176.953 175.800 0.067 0.000 1.085 644 F CA -0.583 57.501 58.000 0.139 0.000 1.260 644 F CB 0.588 39.639 39.000 0.085 0.000 1.095 644 F HN -0.377 7.923 8.300 -0.000 0.000 0.573 645 S N 2.691 118.535 115.700 0.241 0.000 2.381 645 S HA 0.361 -3.745 4.470 -14.292 0.000 0.193 645 S C -1.501 172.992 174.600 -0.179 0.000 1.287 645 S CA -0.359 57.862 58.200 0.034 0.000 1.199 645 S CB -0.245 63.008 63.200 0.087 0.000 1.214 645 S HN 0.754 9.064 8.310 -0.000 0.000 0.444 646 H N 3.156 121.968 119.070 -0.430 0.000 3.029 646 H HA 0.450 -3.569 4.556 -14.291 0.000 0.358 646 H C -2.202 172.957 175.328 -0.281 0.000 1.129 646 H CA -1.295 54.439 56.048 -0.523 0.000 1.230 646 H CB 1.893 30.972 29.762 -1.139 0.000 1.827 646 H HN 0.220 8.500 8.280 -0.000 0.000 0.530 647 P HA -0.113 4.307 4.420 -0.000 0.000 0.219 647 P C -0.159 177.110 177.300 -0.052 0.000 1.146 647 P CA 1.252 64.217 63.100 -0.224 0.000 0.808 647 P CB 0.312 31.852 31.700 -0.266 0.000 0.779 648 N N -0.928 117.847 118.700 0.124 0.000 2.251 648 N HA 0.161 -3.674 4.740 -14.292 0.000 0.217 648 N C -0.700 174.851 175.510 0.070 0.000 1.124 648 N CA -0.182 52.957 53.050 0.148 0.000 0.843 648 N CB 0.575 39.174 38.487 0.186 0.000 1.024 648 N HN -0.050 8.330 8.380 -0.000 0.000 0.501 649 V N 1.315 121.246 119.914 0.029 0.000 2.577 649 V HA 0.291 -4.165 4.120 -14.292 0.000 0.303 649 V C -0.025 176.133 176.094 0.107 0.000 1.042 649 V CA -1.064 61.235 62.300 -0.001 0.000 0.872 649 V CB 2.315 34.006 31.823 -0.221 0.000 0.998 649 V HN 0.142 8.332 8.190 -0.000 0.000 0.423 650 I N 5.341 126.050 120.570 0.231 0.000 2.710 650 I HA 0.157 -4.249 4.170 -14.292 0.000 0.286 650 I C 1.044 177.285 176.117 0.207 0.000 1.181 650 I CA 0.102 61.511 61.300 0.181 0.000 1.430 650 I CB 0.330 38.413 38.000 0.138 0.000 1.367 650 I HN 0.803 9.013 8.210 -0.000 0.000 0.577 651 R N 7.344 127.911 120.500 0.112 0.000 2.265 651 R HA 0.373 -3.862 4.340 -14.292 0.000 0.314 651 R C -1.123 175.209 176.300 0.054 0.000 1.053 651 R CA -0.758 55.401 56.100 0.099 0.000 0.931 651 R CB 1.042 31.375 30.300 0.054 0.000 1.024 651 R HN 0.567 8.837 8.270 -0.000 0.000 0.457 652 L N 4.475 125.722 121.223 0.039 0.000 2.331 652 L HA 0.142 -4.094 4.340 -14.292 0.000 0.278 652 L C 0.561 177.414 176.870 -0.028 0.000 1.106 652 L CA -0.069 54.756 54.840 -0.025 0.000 0.824 652 L CB 0.947 42.962 42.059 -0.073 0.000 1.142 652 L HN 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0.330 656 C C 0.070 175.095 174.990 0.059 0.000 1.224 656 C CA -0.279 58.762 59.018 0.038 0.000 1.770 656 C CB 0.422 28.175 27.740 0.022 0.000 2.297 656 C HN 0.859 9.089 8.230 -0.000 0.000 0.507 666 K N 2.791 123.186 120.400 -0.008 0.000 2.464 666 K HA 0.670 -3.586 4.320 -14.292 0.000 0.252 666 K C -2.877 173.716 176.600 -0.011 0.000 1.000 666 K CA -1.445 54.830 56.287 -0.021 0.000 0.951 666 K CB 1.291 33.780 32.500 -0.018 0.000 1.183 666 K HN 0.320 8.570 8.250 -0.000 0.000 0.445 667 P HA 0.446 4.866 4.420 -0.000 0.000 0.281 667 P C -0.754 176.558 177.300 0.019 0.000 1.252 667 P CA -0.304 62.803 63.100 0.011 0.000 0.778 667 P CB 0.773 32.387 31.700 -0.144 0.000 0.895 668 M N 2.667 122.316 119.600 0.082 0.000 2.326 668 M HA 0.334 -3.762 4.480 -14.292 0.000 0.292 668 M C -0.339 176.017 176.300 0.094 0.000 1.081 668 M CA -1.149 54.187 55.300 0.059 0.000 0.919 668 M CB 2.905 35.521 32.600 0.026 0.000 1.634 668 M HN 0.114 8.404 8.290 -0.000 0.000 0.451 669 V N 2.320 122.282 119.914 0.080 0.000 2.427 669 V HA 0.632 -3.823 4.120 -14.292 0.000 0.286 669 V C -0.664 175.440 176.094 0.016 0.000 1.034 669 V CA -0.678 61.656 62.300 0.057 0.000 0.893 669 V CB 1.173 33.034 31.823 0.063 0.000 0.982 669 V HN 0.662 8.852 8.190 -0.000 0.000 0.452 670 I N 6.319 126.890 120.570 0.003 0.000 2.321 670 I HA 0.578 -3.827 4.170 -14.292 0.000 0.291 670 I C -0.130 175.984 176.117 -0.005 0.000 0.998 670 I CA -0.655 60.646 61.300 0.002 0.000 1.227 670 I CB 0.615 38.616 38.000 0.002 0.000 1.368 670 I HN 0.631 8.841 8.210 -0.000 0.000 0.466 671 L N 7.357 128.583 121.223 0.006 0.000 2.354 671 L HA 0.586 -3.649 4.340 -14.292 0.000 0.264 671 L C -2.507 174.383 176.870 0.034 0.000 1.008 671 L CA -1.938 52.904 54.840 0.003 0.000 0.819 671 L CB 2.262 44.311 42.059 -0.018 0.000 1.339 671 L HN 0.281 8.511 8.230 -0.000 0.000 0.420 672 P HA 0.018 4.438 4.420 -0.000 0.000 0.268 672 P C -0.861 176.489 177.300 0.083 0.000 1.205 672 P CA -0.074 63.061 63.100 0.058 0.000 0.771 672 P CB 0.283 32.004 31.700 0.033 0.000 0.858 673 F N 3.769 123.707 119.950 -0.020 0.000 2.495 673 F HA 0.228 -3.819 4.527 -14.290 0.000 0.365 673 F C 0.198 175.981 175.800 -0.028 0.000 1.090 673 F CA 0.226 58.213 58.000 -0.023 0.000 1.235 673 F CB 0.341 39.325 39.000 -0.027 0.000 1.119 673 F HN 0.139 8.439 8.300 -0.000 0.000 0.562 674 M N 7.854 127.041 119.600 -0.689 0.000 2.060 674 M HA 0.149 -3.946 4.480 -14.292 0.000 0.342 674 M C 0.899 176.789 176.300 -0.684 0.000 1.031 674 M CA -0.458 54.560 55.300 -0.471 0.000 0.981 674 M CB 1.316 33.748 32.600 -0.281 0.000 1.376 674 M HN 0.733 9.023 8.290 -0.000 0.000 0.397 675 K N 1.250 121.399 120.400 -0.418 0.000 2.211 675 K HA -0.164 -4.420 4.320 -14.292 0.000 0.204 675 K C 0.388 176.883 176.600 -0.176 0.000 1.047 675 K CA 1.843 58.002 56.287 -0.213 0.000 0.935 675 K CB -0.142 32.298 32.500 -0.099 0.000 0.728 675 K HN 0.408 8.658 8.250 -0.000 0.000 0.452 676 Y N 1.358 121.622 120.300 -0.061 0.000 2.546 676 Y HA 0.206 -3.820 4.550 -14.293 0.000 0.287 676 Y C 1.546 177.429 175.900 -0.029 0.000 1.158 676 Y CA 0.133 58.228 58.100 -0.008 0.000 1.307 676 Y CB -0.249 38.196 38.460 -0.024 0.000 1.036 676 Y HN 0.439 8.719 8.280 -0.000 0.000 0.532 677 G N 0.842 109.639 108.800 -0.004 0.000 2.645 677 G HA2 -0.252 -4.868 3.960 -14.292 0.000 0.239 677 G HA3 -0.252 -4.868 3.960 -14.292 0.000 0.239 677 G C -0.464 174.414 174.900 -0.037 0.000 1.331 677 G CA -0.296 44.777 45.100 -0.046 0.000 0.890 677 G HN 0.353 8.643 8.290 -0.000 0.000 0.572 678 D N -0.251 120.131 120.400 -0.030 0.000 2.344 678 D HA 0.315 -3.621 4.640 -14.292 0.000 0.244 678 D C 1.639 177.922 176.300 -0.029 0.000 1.134 678 D CA -0.226 53.757 54.000 -0.029 0.000 0.930 678 D CB 1.556 42.352 40.800 -0.007 0.000 1.175 678 D HN 0.578 8.948 8.370 -0.000 0.000 0.437 679 L N 1.141 122.330 121.223 -0.056 0.000 2.093 679 L HA -0.162 -4.398 4.340 -14.292 0.000 0.208 679 L C 2.324 179.203 176.870 0.016 0.000 1.085 679 L CA 1.591 56.365 54.840 -0.110 0.000 0.755 679 L CB -1.021 40.923 42.059 -0.192 0.000 0.904 679 L HN 0.631 8.861 8.230 -0.000 0.000 0.435 680 H N -1.016 118.028 119.070 -0.043 0.000 2.267 680 H HA -0.184 -4.203 4.556 -14.292 0.000 0.297 680 H C 1.759 177.044 175.328 -0.073 0.000 1.080 680 H CA 2.160 58.196 56.048 -0.019 0.000 1.278 680 H CB 0.179 29.944 29.762 0.004 0.000 1.365 680 H HN 0.376 8.656 8.280 -0.000 0.000 0.489 681 T N 0.277 114.744 114.554 -0.145 0.000 2.720 681 T HA -0.226 -4.451 4.350 -14.292 0.000 0.268 681 T C 1.750 176.167 174.700 -0.472 0.000 1.037 681 T CA 1.575 63.424 62.100 -0.418 0.000 1.144 681 T CB -0.861 67.759 68.868 -0.413 0.000 0.864 681 T HN 0.434 8.674 8.240 -0.000 0.000 0.444 682 Y N 1.943 122.070 120.300 -0.288 0.000 2.081 682 Y HA -0.199 -4.226 4.550 -14.295 0.000 0.280 682 Y C 2.083 177.926 175.900 -0.095 0.000 1.163 682 Y CA 1.310 59.332 58.100 -0.130 0.000 1.135 682 Y CB -0.531 37.855 38.460 -0.122 0.000 0.970 682 Y HN 0.111 8.391 8.280 -0.000 0.000 0.498 683 L N -0.502 120.712 121.223 -0.014 0.000 2.013 683 L HA -0.299 -4.535 4.340 -14.292 0.000 0.212 683 L C 2.431 179.216 176.870 -0.141 0.000 1.073 683 L CA 1.629 56.435 54.840 -0.058 0.000 0.753 683 L CB -0.795 41.254 42.059 -0.016 0.000 0.890 683 L HN 0.305 8.535 8.230 -0.000 0.000 0.432 684 L N -1.933 119.163 121.223 -0.211 0.000 2.056 684 L HA -0.213 -4.448 4.340 -14.292 0.000 0.207 684 L C 2.513 179.358 176.870 -0.042 0.000 1.078 684 L CA 1.338 56.077 54.840 -0.169 0.000 0.749 684 L CB -0.685 41.220 42.059 -0.258 0.000 0.901 684 L HN 0.194 8.424 8.230 -0.000 0.000 0.433 685 Y N 0.041 120.251 120.300 -0.149 0.000 2.274 685 Y HA -0.270 -4.294 4.550 -14.289 0.000 0.290 685 Y C 2.982 178.772 175.900 -0.183 0.000 1.145 685 Y CA 0.728 58.739 58.100 -0.147 0.000 1.203 685 Y CB -0.124 38.242 38.460 -0.157 0.000 0.984 685 Y HN 0.351 8.631 8.280 -0.000 0.000 0.533 686 S N 0.456 116.098 115.700 -0.097 0.000 2.515 686 S HA -0.087 -4.193 4.470 -14.292 0.000 0.231 686 S C 1.446 176.014 174.600 -0.053 0.000 0.987 686 S CA 0.363 58.469 58.200 -0.156 0.000 0.936 686 S CB 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690 T HA -0.179 -4.404 4.350 -14.292 0.000 0.288 690 T C 0.685 175.316 174.700 -0.115 0.000 2.146 690 T CA 1.140 63.194 62.100 -0.077 0.000 3.498 690 T CB -1.831 66.984 68.868 -0.088 0.000 1.517 690 T HN 0.712 8.952 8.240 -0.000 0.000 1.113 691 G N 2.126 110.855 108.800 -0.119 0.000 2.525 691 G HA2 0.664 -3.952 3.960 -14.292 0.000 0.287 691 G HA3 0.664 -3.952 3.960 -14.292 0.000 0.287 691 G C -2.172 172.670 174.900 -0.096 0.000 1.350 691 G CA -0.854 44.165 45.100 -0.136 0.000 1.039 691 G HN 0.544 8.834 8.290 -0.000 0.000 0.513 692 P HA 0.328 4.748 4.420 -0.000 0.000 0.269 692 P C 0.292 177.536 177.300 -0.093 0.000 1.217 692 P CA -0.140 62.877 63.100 -0.138 0.000 0.783 692 P CB 0.199 31.653 31.700 -0.410 0.000 0.898 693 K N 0.777 121.162 120.400 -0.026 0.000 2.136 693 K HA 0.014 -4.241 4.320 -14.292 0.000 0.237 693 K C 0.257 176.872 176.600 0.025 0.000 1.048 693 K CA -0.046 56.250 56.287 0.014 0.000 0.880 693 K CB -0.905 31.618 32.500 0.039 0.000 1.105 693 K HN 0.815 9.065 8.250 -0.000 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42.059 -0.001 0.000 0.891 697 L HN 0.284 8.514 8.230 -0.000 0.000 0.433 698 Q N -1.250 118.514 119.800 -0.060 0.000 2.079 698 Q HA -0.129 -4.364 4.340 -14.292 0.000 0.200 698 Q C 2.093 178.001 176.000 -0.153 0.000 0.974 698 Q CA 2.331 58.087 55.803 -0.078 0.000 0.840 698 Q CB -0.755 27.947 28.738 -0.059 0.000 0.898 698 Q HN 0.502 8.772 8.270 -0.000 0.000 0.430 699 T N 0.950 115.373 114.554 -0.218 0.000 2.821 699 T HA -0.052 -4.278 4.350 -14.292 0.000 0.267 699 T C 1.735 176.040 174.700 -0.657 0.000 1.046 699 T CA 0.809 62.639 62.100 -0.451 0.000 1.139 699 T CB -0.207 68.415 68.868 -0.410 0.000 0.871 699 T HN 0.138 8.378 8.240 -0.000 0.000 0.454 700 L N 0.299 121.343 121.223 -0.298 0.000 2.046 700 L HA -0.032 -4.267 4.340 -14.292 0.000 0.208 700 L C 2.472 179.336 176.870 -0.010 0.000 1.077 700 L CA 1.178 55.979 54.840 -0.064 0.000 0.747 700 L CB -0.518 41.552 42.059 0.018 0.000 0.896 700 L HN 0.263 8.493 8.230 -0.000 0.000 0.432 701 L N -0.392 120.802 121.223 -0.048 0.000 2.156 701 L HA -0.185 -4.421 4.340 -14.292 0.000 0.208 701 L C 2.627 179.503 176.870 0.010 0.000 1.095 701 L CA 0.755 55.599 54.840 0.007 0.000 0.770 701 L CB -0.294 41.765 42.059 -0.000 0.000 0.914 701 L HN 0.175 8.405 8.230 -0.000 0.000 0.439 702 K N 0.364 120.710 120.400 -0.091 0.000 2.097 702 K HA -0.168 -4.423 4.320 -14.292 0.000 0.206 702 K C 1.817 178.437 176.600 0.033 0.000 1.049 702 K CA 1.615 57.855 56.287 -0.079 0.000 0.933 702 K CB -0.329 32.061 32.500 -0.182 0.000 0.717 702 K HN 0.006 8.256 8.250 -0.000 0.000 0.442 703 F N 0.507 120.485 119.950 0.046 0.000 2.161 703 F HA -0.124 -4.175 4.527 -14.297 0.000 0.300 703 F C 2.093 177.959 175.800 0.111 0.000 1.089 703 F CA 1.237 59.271 58.000 0.057 0.000 1.282 703 F CB -0.688 38.340 39.000 0.047 0.000 1.010 703 F HN 0.019 8.319 8.300 -0.000 0.000 0.485 704 M N -1.120 118.664 119.600 0.307 0.000 2.200 704 M HA -0.129 -4.225 4.480 -14.292 0.000 0.265 704 M C 2.153 178.671 176.300 0.363 0.000 1.066 704 M CA 0.879 56.376 55.300 0.328 0.000 1.127 704 M CB -0.526 32.212 32.600 0.229 0.000 1.379 704 M HN -0.072 8.218 8.290 -0.000 0.000 0.420 705 V N 0.642 120.694 119.914 0.231 0.000 2.307 705 V HA -0.270 -4.725 4.120 -14.292 0.000 0.245 705 V C 1.774 177.955 176.094 0.144 0.000 1.045 705 V CA 1.927 64.327 62.300 0.166 0.000 1.024 705 V CB -0.707 31.178 31.823 0.104 0.000 0.651 705 V HN 0.380 8.570 8.190 -0.000 0.000 0.449 706 D N 0.271 120.765 120.400 0.156 0.000 2.126 706 D HA -0.201 -4.136 4.640 -14.292 0.000 0.190 706 D C 1.984 178.355 176.300 0.119 0.000 1.001 706 D CA 1.776 55.859 54.000 0.139 0.000 0.841 706 D CB -0.357 40.542 40.800 0.166 0.000 0.949 706 D HN 0.425 8.795 8.370 -0.000 0.000 0.446 707 I N 0.870 121.545 120.570 0.175 0.000 2.226 707 I HA -0.237 -4.643 4.170 -14.292 0.000 0.245 707 I C 2.440 178.531 176.117 -0.044 0.000 1.100 707 I CA 1.105 62.494 61.300 0.149 0.000 1.374 707 I CB -0.197 38.010 38.000 0.345 0.000 1.057 707 I HN -0.064 8.146 8.210 -0.000 0.000 0.413 708 A N 0.670 123.456 122.820 -0.057 0.000 1.930 708 A HA -0.107 -4.362 4.320 -14.292 0.000 0.217 708 A C 2.301 179.753 177.584 -0.220 0.000 1.175 708 A CA 1.232 53.069 52.037 -0.333 0.000 0.627 708 A CB -0.713 18.168 19.000 -0.200 0.000 0.815 708 A HN 0.354 8.504 8.150 -0.000 0.000 0.443 709 L N -0.707 120.464 121.223 -0.088 0.000 2.017 709 L HA -0.119 -4.354 4.340 -14.292 0.000 0.208 709 L C 2.876 179.601 176.870 -0.242 0.000 1.073 709 L CA 1.175 55.974 54.840 -0.068 0.000 0.745 709 L CB -0.828 41.289 42.059 0.096 0.000 0.894 709 L HN 0.477 8.707 8.230 -0.000 0.000 0.432 710 G N -0.475 108.201 108.800 -0.207 0.000 2.469 710 G HA2 -0.276 -4.891 3.960 -14.292 0.000 0.219 710 G HA3 -0.276 -4.891 3.960 -14.292 0.000 0.219 710 G C 1.555 176.218 174.900 -0.395 0.000 1.150 710 G CA 0.748 45.672 45.100 -0.294 0.000 0.763 710 G HN 0.129 8.419 8.290 -0.000 0.000 0.561 711 M N 0.137 119.424 119.600 -0.521 0.000 2.288 711 M HA 0.113 -3.982 4.480 -14.292 0.000 0.266 711 M C 2.192 178.081 176.300 -0.684 0.000 1.072 711 M CA 0.690 55.479 55.300 -0.851 0.000 1.132 711 M CB -0.859 30.660 32.600 -1.803 0.000 1.386 711 M HN 0.441 8.731 8.290 -0.000 0.000 0.432 712 E N -0.176 119.765 120.200 -0.431 0.000 2.058 712 E HA -0.270 -4.495 4.350 -14.292 0.000 0.194 712 E C 2.037 178.527 176.600 -0.185 0.000 0.997 712 E CA 1.535 57.834 56.400 -0.168 0.000 0.801 712 E CB -0.233 29.413 29.700 -0.090 0.000 0.746 712 E HN 0.444 8.804 8.360 -0.000 0.000 0.450 713 Y N 1.112 121.163 120.300 -0.415 0.000 2.081 713 Y HA -0.262 -4.289 4.550 -14.295 0.000 0.280 713 Y C 2.060 177.709 175.900 -0.418 0.000 1.163 713 Y CA 2.049 59.880 58.100 -0.449 0.000 1.135 713 Y CB -0.286 37.738 38.460 -0.727 0.000 0.970 713 Y HN 0.048 8.328 8.280 -0.000 0.000 0.498 714 L N -1.208 119.792 121.223 -0.371 0.000 2.056 714 L HA -0.219 -4.455 4.340 -14.292 0.000 0.207 714 L C 2.789 179.524 176.870 -0.225 0.000 1.078 714 L CA 1.559 56.138 54.840 -0.436 0.000 0.749 714 L CB -0.839 40.972 42.059 -0.412 0.000 0.901 714 L HN 0.215 8.445 8.230 -0.000 0.000 0.433 715 S N 0.134 115.741 115.700 -0.155 0.000 2.382 715 S HA -0.156 -4.261 4.470 -14.292 0.000 0.228 715 S C 1.794 176.367 174.600 -0.045 0.000 1.027 715 S CA 1.347 59.541 58.200 -0.011 0.000 0.991 715 S CB -0.209 63.068 63.200 0.127 0.000 0.823 715 S HN 0.427 8.738 8.310 -0.000 0.000 0.469 716 N N 1.160 119.784 118.700 -0.128 0.000 2.364 716 N HA 0.014 -3.821 4.740 -14.292 0.000 0.183 716 N C 1.312 176.736 175.510 -0.142 0.000 1.022 716 N CA 0.753 53.722 53.050 -0.135 0.000 0.883 716 N CB -0.211 38.164 38.487 -0.186 0.000 0.965 716 N HN 0.484 8.864 8.380 -0.000 0.000 0.438 717 R N 0.536 120.925 120.500 -0.185 0.000 2.393 717 R HA 0.202 -4.033 4.340 -14.292 0.000 0.244 717 R C -0.170 176.162 176.300 0.052 0.000 0.920 717 R CA -0.177 55.869 56.100 -0.090 0.000 1.076 717 R CB 0.095 30.299 30.300 -0.159 0.000 1.119 717 R HN 0.111 8.381 8.270 -0.000 0.000 0.524 718 N N 0.609 119.332 118.700 0.038 0.000 2.725 718 N HA -0.245 -4.080 4.740 -14.292 0.000 0.249 718 N C -0.894 174.694 175.510 0.130 0.000 1.103 718 N CA 0.964 54.060 53.050 0.076 0.000 0.707 718 N CB -1.291 37.232 38.487 0.060 0.000 1.043 718 N HN 0.196 8.576 8.380 -0.000 0.000 0.553 719 F N 1.438 121.388 119.950 -0.000 0.000 2.371 719 F HA 0.333 -3.717 4.527 -14.294 0.000 0.363 719 F C 0.321 176.151 175.800 0.050 0.000 1.122 719 F CA -0.782 57.248 58.000 0.050 0.000 1.129 719 F CB 0.518 39.553 39.000 0.060 0.000 1.173 719 F HN -0.142 8.158 8.300 -0.000 0.000 0.489 720 L N 6.447 127.607 121.223 -0.105 0.000 2.416 720 L HA 0.048 -4.188 4.340 -14.292 0.000 0.272 720 L C 1.523 178.473 176.870 0.132 0.000 1.161 720 L CA 0.385 55.269 54.840 0.073 0.000 0.845 720 L CB 0.285 42.386 42.059 0.070 0.000 1.119 720 L HN 0.659 8.889 8.230 -0.000 0.000 0.464 721 H N 4.224 123.416 119.070 0.203 0.000 2.306 721 H HA 0.029 -3.986 4.556 -14.284 0.000 0.307 721 H C 0.700 176.128 175.328 0.168 0.000 1.061 721 H CA 1.621 57.828 56.048 0.265 0.000 1.359 721 H CB 0.563 30.465 29.762 0.233 0.000 1.407 721 H HN 0.607 8.887 8.280 -0.000 0.000 0.517 722 R N -0.751 119.947 120.500 0.331 0.000 3.840 722 R HA -0.176 -4.411 4.340 -14.292 0.000 0.464 722 R C -0.517 175.866 176.300 0.138 0.000 0.986 722 R CA 1.208 57.258 56.100 -0.084 0.000 1.305 722 R CB -1.582 28.509 30.300 -0.348 0.000 1.950 722 R HN 0.317 8.587 8.270 -0.000 0.000 0.526 723 D N 0.091 120.756 120.400 0.442 0.000 3.216 723 D HA 0.160 -3.776 4.640 -14.292 0.000 0.348 723 D C -1.327 175.084 176.300 0.185 0.000 1.407 723 D CA -0.402 53.764 54.000 0.277 0.000 0.744 723 D CB 0.438 41.357 40.800 0.198 0.000 1.264 723 D HN 0.033 8.403 8.370 -0.000 0.000 0.543 724 L N 1.560 122.785 121.223 0.003 0.000 2.313 724 L HA 0.754 -3.481 4.340 -14.292 0.000 0.282 724 L C -0.551 176.303 176.870 -0.027 0.000 1.092 724 L CA 0.067 54.783 54.840 -0.207 0.000 0.831 724 L CB 0.540 42.475 42.059 -0.206 0.000 1.159 724 L HN 0.177 8.407 8.230 -0.000 0.000 0.442 725 A N 3.899 126.656 122.820 -0.105 0.000 2.610 725 A HA 0.713 -3.542 4.320 -14.292 0.000 0.291 725 A C 0.619 178.182 177.584 -0.034 0.000 1.086 725 A CA -0.150 51.785 52.037 -0.169 0.000 0.677 725 A CB 0.557 19.040 19.000 -0.861 0.000 1.278 725 A HN 1.019 9.169 8.150 -0.000 0.000 0.414 726 A N 0.514 123.374 122.820 0.066 0.000 1.986 726 A HA -0.197 -4.453 4.320 -14.292 0.000 0.220 726 A C 1.954 179.555 177.584 0.030 0.000 1.171 726 A CA 2.196 54.287 52.037 0.091 0.000 0.640 726 A CB -0.649 18.479 19.000 0.213 0.000 0.811 726 A HN 1.023 9.173 8.150 -0.000 0.000 0.451 727 R N -1.176 119.274 120.500 -0.083 0.000 2.189 727 R HA 0.009 -4.226 4.340 -14.292 0.000 0.218 727 R C 0.326 176.602 176.300 -0.039 0.000 1.074 727 R CA 1.424 57.487 56.100 -0.062 0.000 0.991 727 R CB -0.391 29.814 30.300 -0.158 0.000 0.883 727 R HN 0.315 8.585 8.270 -0.000 0.000 0.457 728 N N 0.135 118.815 118.700 -0.034 0.000 2.251 728 N HA 0.123 -3.713 4.740 -14.292 0.000 0.217 728 N C -1.055 174.507 175.510 0.086 0.000 1.124 728 N CA -0.124 52.948 53.050 0.036 0.000 0.843 728 N CB 0.614 39.151 38.487 0.085 0.000 1.024 728 N HN 0.156 8.536 8.380 -0.000 0.000 0.501 729 C N 1.483 120.810 119.300 0.047 0.000 2.322 729 C HA 0.547 -3.569 4.460 -14.292 0.000 0.324 729 C C 0.018 175.006 174.990 -0.004 0.000 1.284 729 C CA -0.910 58.136 59.018 0.047 0.000 1.606 729 C CB 0.410 28.174 27.740 0.040 0.000 2.251 729 C HN 0.198 8.428 8.230 -0.000 0.000 0.502 730 M N 3.386 122.984 119.600 -0.003 0.000 2.508 730 M HA 0.536 -3.559 4.480 -14.292 0.000 0.327 730 M C -0.609 175.658 176.300 -0.056 0.000 1.160 730 M CA -0.633 54.644 55.300 -0.038 0.000 0.980 730 M CB 1.406 33.987 32.600 -0.033 0.000 1.693 730 M HN 0.481 8.771 8.290 -0.000 0.000 0.452 731 L N 2.775 123.954 121.223 -0.072 0.000 2.264 731 L HA 0.435 -3.801 4.340 -14.292 0.000 0.289 731 L C 0.699 177.591 176.870 0.037 0.000 1.044 731 L CA -0.439 54.367 54.840 -0.057 0.000 0.807 731 L CB 0.805 42.781 42.059 -0.138 0.000 1.192 731 L HN 0.582 8.812 8.230 -0.000 0.000 0.425 732 R N 1.341 121.872 120.500 0.051 0.000 2.652 732 R HA 0.077 -4.159 4.340 -14.292 0.000 0.271 732 R C 0.244 176.653 176.300 0.182 0.000 1.129 732 R CA -0.812 55.330 56.100 0.069 0.000 1.200 732 R CB 0.604 30.931 30.300 0.046 0.000 1.146 732 R HN 0.545 8.815 8.270 -0.000 0.000 0.581 733 D N 0.863 121.337 120.400 0.123 0.000 2.264 733 D HA -0.128 -4.063 4.640 -14.292 0.000 0.208 733 D C 0.913 177.385 176.300 0.286 0.000 0.966 733 D CA 1.246 55.355 54.000 0.182 0.000 0.864 733 D CB -0.147 40.666 40.800 0.023 0.000 0.933 733 D HN 0.529 8.899 8.370 -0.000 0.000 0.499 734 D N -0.717 119.778 120.400 0.158 0.000 2.339 734 D HA -0.055 -3.990 4.640 -14.292 0.000 0.217 734 D C 0.979 177.328 176.300 0.080 0.000 1.050 734 D CA -0.015 54.050 54.000 0.109 0.000 0.856 734 D CB 0.066 40.904 40.800 0.062 0.000 0.922 734 D HN -0.146 8.224 8.370 -0.000 0.000 0.518 735 M N 0.077 119.731 119.600 0.090 0.000 2.943 735 M HA -0.154 -4.249 4.480 -14.292 0.000 0.198 735 M C -0.324 176.026 176.300 0.083 0.000 0.606 735 M CA 0.869 56.184 55.300 0.024 0.000 0.744 735 M CB -2.994 29.583 32.600 -0.038 0.000 2.671 735 M HN 0.383 8.673 8.290 -0.000 0.000 0.342 736 T N -1.203 113.396 114.554 0.075 0.000 2.918 736 T HA 0.529 -3.696 4.350 -14.292 0.000 0.302 736 T C 0.543 175.289 174.700 0.077 0.000 1.045 736 T CA -0.774 61.379 62.100 0.088 0.000 1.114 736 T CB 2.036 70.935 68.868 0.051 0.000 0.965 736 T HN 0.143 8.383 8.240 -0.000 0.000 0.540 737 V N 2.132 122.110 119.914 0.107 0.000 2.539 737 V HA 0.530 -3.925 4.120 -14.292 0.000 0.292 737 V C 0.775 176.906 176.094 0.062 0.000 1.045 737 V CA -0.936 61.395 62.300 0.053 0.000 0.945 737 V CB 0.724 32.581 31.823 0.057 0.000 0.993 737 V HN 1.355 9.545 8.190 -0.000 0.000 0.464 738 C N 2.908 122.236 119.300 0.047 0.000 2.563 738 C HA 0.819 -3.296 4.460 -14.292 0.000 0.314 738 C C -0.231 174.820 174.990 0.101 0.000 1.199 738 C CA -0.942 58.118 59.018 0.070 0.000 1.564 738 C CB 0.707 28.485 27.740 0.064 0.000 2.173 738 C HN 0.583 8.813 8.230 -0.000 0.000 0.485 739 V N 3.059 123.052 119.914 0.131 0.000 2.637 739 V HA 0.558 -3.898 4.120 -14.292 0.000 0.296 739 V C 0.847 177.175 176.094 0.390 0.000 1.046 739 V CA 1.409 63.849 62.300 0.233 0.000 1.066 739 V CB 0.805 32.729 31.823 0.169 0.000 0.968 739 V HN 1.391 9.581 8.190 -0.000 0.000 0.483 740 A N 3.389 126.465 122.820 0.426 0.000 2.524 740 A HA 0.721 -3.535 4.320 -14.292 0.000 0.286 740 A C 0.127 177.833 177.584 0.202 0.000 1.203 740 A CA -0.286 51.917 52.037 0.277 0.000 0.736 740 A CB 0.963 20.020 19.000 0.094 0.000 1.322 740 A HN 0.712 8.862 8.150 -0.000 0.000 0.424 741 D N -1.529 118.778 120.400 -0.155 0.000 3.012 741 D HA -0.160 -4.096 4.640 -14.292 0.000 0.222 741 D C -0.074 176.105 176.300 -0.203 0.000 1.167 741 D CA 1.905 55.816 54.000 -0.148 0.000 0.854 741 D CB -1.908 38.902 40.800 0.016 0.000 1.107 741 D HN 0.606 8.976 8.370 -0.000 0.000 0.421 742 F N -2.440 117.304 119.950 -0.344 0.000 2.375 742 F HA 0.577 -3.473 4.527 -14.294 0.000 0.313 742 F C 1.957 177.769 175.800 0.021 0.000 1.176 742 F CA 0.012 57.728 58.000 -0.472 0.000 1.142 742 F CB 0.308 38.970 39.000 -0.563 0.000 1.275 742 F HN -0.012 8.288 8.300 -0.000 0.000 0.544 743 G N 0.117 109.144 108.800 0.378 0.000 2.640 743 G HA2 -0.340 -4.956 3.960 -14.292 0.000 0.226 743 G HA3 -0.340 -4.956 3.960 -14.292 0.000 0.226 743 G C 0.346 175.346 174.900 0.167 0.000 1.222 743 G CA 0.070 45.420 45.100 0.415 0.000 0.729 743 G HN 1.395 9.685 8.290 -0.000 0.000 0.516 764 V N 1.488 121.538 119.914 0.226 0.000 2.280 764 V HA -0.337 -4.792 4.120 -14.292 0.000 0.258 764 V C 2.190 178.379 176.094 0.157 0.000 1.081 764 V CA 2.519 64.907 62.300 0.147 0.000 1.070 764 V CB -0.437 31.429 31.823 0.073 0.000 0.666 764 V HN 0.428 8.618 8.190 -0.000 0.000 0.450 765 K N -1.880 118.652 120.400 0.220 0.000 2.487 765 K HA -0.051 -4.306 4.320 -14.292 0.000 0.192 765 K C 1.358 177.920 176.600 -0.063 0.000 1.027 765 K CA 0.504 56.782 56.287 -0.016 0.000 1.054 765 K CB -0.005 32.370 32.500 -0.209 0.000 0.824 765 K HN 0.611 8.861 8.250 -0.000 0.000 0.510 766 W N 0.803 122.219 121.300 0.193 0.000 3.132 766 W HA 0.288 -3.596 4.660 -14.240 0.000 0.364 766 W C -0.085 176.594 176.519 0.266 0.000 1.129 766 W CA -0.359 57.152 57.345 0.276 0.000 1.815 766 W CB 0.369 29.961 29.460 0.220 0.000 1.099 766 W HN -0.122 8.058 8.180 -0.000 0.000 0.605 767 I N 1.088 121.815 120.570 0.260 0.000 2.336 767 I HA 0.315 -4.091 4.170 -14.292 0.000 0.292 767 I C 0.800 176.617 176.117 -0.500 0.000 0.991 767 I CA -0.646 60.669 61.300 0.025 0.000 1.227 767 I CB 1.084 39.123 38.000 0.065 0.000 1.366 767 I HN -0.270 7.940 8.210 -0.000 0.000 0.466 768 A N 5.592 127.927 122.820 -0.807 0.000 2.507 768 A HA 0.152 -4.104 4.320 -14.292 0.000 0.235 768 A C 1.215 178.216 177.584 -0.973 0.000 1.070 768 A CA -0.056 51.051 52.037 -1.549 0.000 0.768 768 A CB 0.056 18.605 19.000 -0.752 0.000 1.011 768 A HN 0.759 8.909 8.150 -0.000 0.000 0.502 769 I N 0.894 120.834 120.570 -1.050 0.000 2.127 769 I HA -0.254 -4.660 4.170 -14.292 0.000 0.241 769 I C 2.339 178.359 176.117 -0.162 0.000 1.075 769 I CA 2.007 63.095 61.300 -0.354 0.000 1.334 769 I CB -0.933 36.984 38.000 -0.138 0.000 1.040 769 I HN 0.797 9.007 8.210 -0.000 0.000 0.405 770 E N 1.636 121.727 120.200 -0.182 0.000 2.204 770 E HA -0.181 -4.407 4.350 -14.292 0.000 0.195 770 E C 1.870 178.398 176.600 -0.120 0.000 0.990 770 E CA 1.930 58.270 56.400 -0.100 0.000 0.821 770 E CB -0.671 28.982 29.700 -0.078 0.000 0.750 770 E HN 0.584 8.944 8.360 -0.000 0.000 0.477 771 S N 0.662 116.260 115.700 -0.171 0.000 2.446 771 S HA 0.141 -3.964 4.470 -14.292 0.000 0.225 771 S C 2.074 176.606 174.600 -0.113 0.000 1.016 771 S CA 0.331 58.468 58.200 -0.105 0.000 0.943 771 S CB -0.077 63.083 63.200 -0.067 0.000 0.786 771 S HN 0.192 8.502 8.310 -0.000 0.000 0.508 772 L N 1.104 122.221 121.223 -0.177 0.000 2.072 772 L HA -0.008 -4.243 4.340 -14.292 0.000 0.205 772 L C 2.787 179.410 176.870 -0.411 0.000 1.079 772 L CA 1.103 55.800 54.840 -0.237 0.000 0.752 772 L CB -0.656 41.287 42.059 -0.193 0.000 0.906 772 L HN 0.305 8.535 8.230 -0.000 0.000 0.436 773 A N -0.451 122.125 122.820 -0.406 0.000 1.877 773 A HA -0.111 -4.367 4.320 -14.292 0.000 0.216 773 A C 0.654 178.102 177.584 -0.226 0.000 1.186 773 A CA 1.601 53.386 52.037 -0.420 0.000 0.620 773 A CB -0.339 18.604 19.000 -0.095 0.000 0.822 773 A HN 0.382 8.532 8.150 -0.000 0.000 0.443 774 D N -4.725 115.593 120.400 -0.137 0.000 2.727 774 D HA 0.599 -3.336 4.640 -14.292 0.000 0.264 774 D C 1.277 177.542 176.300 -0.059 0.000 1.101 774 D CA 0.166 54.116 54.000 -0.083 0.000 1.122 774 D CB 0.559 41.329 40.800 -0.049 0.000 1.390 774 D HN 0.010 8.380 8.370 -0.000 0.000 0.606 775 R N -0.304 120.178 120.500 -0.030 0.000 2.236 775 R HA 0.194 -4.042 4.340 -14.292 0.000 0.208 775 R C 0.907 177.226 176.300 0.032 0.000 1.036 775 R CA 0.350 56.448 56.100 -0.004 0.000 1.001 775 R CB -1.140 29.157 30.300 -0.004 0.000 0.896 775 R HN 0.290 8.560 8.270 -0.000 0.000 0.464 776 V N 0.964 120.889 119.914 0.019 0.000 2.644 776 V HA 0.084 -4.371 4.120 -14.292 0.000 0.305 776 V C -0.398 175.751 176.094 0.092 0.000 1.053 776 V CA 0.792 63.114 62.300 0.036 0.000 1.186 776 V CB 0.000 31.820 31.823 -0.005 0.000 0.895 776 V HN 0.576 8.766 8.190 -0.000 0.000 0.490 777 Y N 4.351 124.648 120.300 -0.005 0.000 2.307 777 Y HA 0.504 -3.519 4.550 -14.288 0.000 0.323 777 Y C 0.245 176.160 175.900 0.026 0.000 1.100 777 Y CA -0.437 57.670 58.100 0.012 0.000 1.140 777 Y CB 1.764 40.235 38.460 0.019 0.000 1.159 777 Y HN 0.826 9.106 8.280 -0.000 0.000 0.436 778 T N -0.956 113.542 114.554 -0.094 0.000 2.804 778 T HA 0.269 -3.956 4.350 -14.292 0.000 0.272 778 T C 1.136 175.854 174.700 0.030 0.000 0.986 778 T CA -0.049 62.065 62.100 0.023 0.000 0.999 778 T CB 1.093 69.954 68.868 -0.013 0.000 1.307 778 T HN 0.542 8.782 8.240 -0.000 0.000 0.586 779 S N 0.046 115.800 115.700 0.090 0.000 2.442 779 S HA -0.070 -4.175 4.470 -14.292 0.000 0.236 779 S C 1.618 176.258 174.600 0.066 0.000 1.007 779 S CA 0.314 58.605 58.200 0.151 0.000 0.965 779 S CB -0.561 62.729 63.200 0.151 0.000 0.773 779 S HN 0.594 8.904 8.310 -0.000 0.000 0.504 780 K N 1.641 122.027 120.400 -0.022 0.000 2.288 780 K HA 0.182 -4.073 4.320 -14.292 0.000 0.201 780 K C 2.201 178.790 176.600 -0.019 0.000 1.048 780 K CA 0.967 57.226 56.287 -0.046 0.000 0.956 780 K CB -0.551 31.927 32.500 -0.037 0.000 0.746 780 K HN 0.523 8.773 8.250 -0.000 0.000 0.461 781 S N 1.533 117.134 115.700 -0.164 0.000 2.395 781 S HA -0.082 -4.187 4.470 -14.292 0.000 0.225 781 S C 1.365 175.977 174.600 0.020 0.000 1.027 781 S CA 0.877 58.901 58.200 -0.293 0.000 0.965 781 S CB -0.109 62.408 63.200 -1.138 0.000 0.812 781 S HN 0.234 8.544 8.310 -0.000 0.000 0.482 782 D N 1.590 122.082 120.400 0.153 0.000 2.123 782 D HA -0.068 -4.003 4.640 -14.292 0.000 0.196 782 D C 2.033 178.640 176.300 0.512 0.000 0.992 782 D CA 0.751 55.034 54.000 0.472 0.000 0.833 782 D CB -0.444 40.708 40.800 0.587 0.000 0.954 782 D HN 0.175 8.545 8.370 -0.000 0.000 0.455 783 V N 0.866 120.906 119.914 0.210 0.000 2.343 783 V HA -0.212 -4.667 4.120 -14.292 0.000 0.247 783 V C 2.199 178.434 176.094 0.234 0.000 1.051 783 V CA 1.356 63.627 62.300 -0.048 0.000 1.036 783 V CB -0.483 31.122 31.823 -0.362 0.000 0.654 783 V HN 0.394 8.584 8.190 -0.000 0.000 0.451 784 W N 1.202 122.575 121.300 0.121 0.000 2.318 784 W HA -0.283 -3.804 4.660 -13.634 0.000 0.313 784 W C 2.470 179.224 176.519 0.392 0.000 1.221 784 W CA 2.673 60.177 57.345 0.266 0.000 1.266 784 W CB -0.582 29.003 29.460 0.209 0.000 1.150 784 W HN 0.299 8.479 8.180 -0.000 0.000 0.496 785 A N -0.064 123.191 122.820 0.724 0.000 1.930 785 A HA -0.213 -4.469 4.320 -14.292 0.000 0.217 785 A C 1.905 179.834 177.584 0.576 0.000 1.175 785 A CA 1.519 53.961 52.037 0.676 0.000 0.627 785 A CB -1.549 17.809 19.000 0.596 0.000 0.815 785 A HN 0.351 8.501 8.150 -0.000 0.000 0.443 786 F N 1.406 121.595 119.950 0.398 0.000 2.126 786 F HA -0.072 -4.113 4.527 -14.281 0.000 0.299 786 F C 2.267 178.226 175.800 0.265 0.000 1.096 786 F CA 1.405 59.609 58.000 0.340 0.000 1.255 786 F CB -0.803 38.471 39.000 0.456 0.000 0.997 786 F HN 0.197 8.497 8.300 -0.000 0.000 0.479 787 G N 0.089 108.958 108.800 0.115 0.000 2.476 787 G HA2 -0.251 -4.866 3.960 -14.292 0.000 0.218 787 G HA3 -0.251 -4.866 3.960 -14.292 0.000 0.218 787 G C 1.745 176.816 174.900 0.285 0.000 1.164 787 G CA 1.459 46.508 45.100 -0.086 0.000 0.768 787 G HN 0.360 8.650 8.290 -0.000 0.000 0.560 788 V N 0.928 121.097 119.914 0.425 0.000 2.358 788 V HA -0.169 -4.625 4.120 -14.292 0.000 0.246 788 V C 3.138 179.409 176.094 0.295 0.000 1.047 788 V CA 2.290 64.729 62.300 0.231 0.000 1.035 788 V CB -1.050 30.742 31.823 -0.051 0.000 0.658 788 V HN 0.396 8.586 8.190 -0.000 0.000 0.452 789 T N 0.077 114.821 114.554 0.317 0.000 2.720 789 T HA -0.255 -4.480 4.350 -14.292 0.000 0.268 789 T C 1.894 176.667 174.700 0.122 0.000 1.037 789 T CA 1.934 64.197 62.100 0.272 0.000 1.144 789 T CB -0.338 68.672 68.868 0.238 0.000 0.864 789 T HN 0.328 8.568 8.240 -0.000 0.000 0.444 790 M N -0.803 118.747 119.600 -0.082 0.000 2.149 790 M HA -0.092 -4.188 4.480 -14.292 0.000 0.261 790 M C 2.164 178.539 176.300 0.126 0.000 1.064 790 M CA 1.594 56.836 55.300 -0.096 0.000 1.102 790 M CB -0.324 32.110 32.600 -0.277 0.000 1.369 790 M HN 0.411 8.701 8.290 -0.000 0.000 0.408 791 W N 1.373 122.703 121.300 0.050 0.000 2.418 791 W HA -0.116 -3.977 4.660 -14.202 0.000 0.292 791 W C 2.031 178.592 176.519 0.070 0.000 1.213 791 W CA 1.321 58.720 57.345 0.090 0.000 1.283 791 W CB 0.026 29.552 29.460 0.110 0.000 1.119 791 W HN 0.157 8.337 8.180 -0.000 0.000 0.542 792 E N 0.255 120.696 120.200 0.401 0.000 2.085 792 E HA -0.268 -4.493 4.350 -14.292 0.000 0.194 792 E C 2.030 178.715 176.600 0.141 0.000 0.994 792 E CA 1.993 58.580 56.400 0.311 0.000 0.801 792 E CB -0.456 29.497 29.700 0.421 0.000 0.743 792 E HN 0.373 8.733 8.360 -0.000 0.000 0.453 793 I N 0.938 121.587 120.570 0.132 0.000 2.163 793 I HA -0.255 -4.661 4.170 -14.292 0.000 0.240 793 I C 2.570 178.702 176.117 0.026 0.000 1.081 793 I CA 1.015 62.379 61.300 0.107 0.000 1.353 793 I CB -0.326 37.763 38.000 0.149 0.000 1.054 793 I HN 0.065 8.275 8.210 -0.000 0.000 0.407 794 A N 0.612 123.414 122.820 -0.031 0.000 1.940 794 A HA -0.231 -4.486 4.320 -14.292 0.000 0.219 794 A C 2.307 179.772 177.584 -0.198 0.000 1.176 794 A CA 2.444 54.422 52.037 -0.099 0.000 0.631 794 A CB -1.205 17.732 19.000 -0.106 0.000 0.814 794 A HN 0.547 8.697 8.150 -0.000 0.000 0.446 795 T N -4.281 110.069 114.554 -0.340 0.000 3.129 795 T HA 0.227 -3.998 4.350 -14.292 0.000 0.251 795 T C 0.662 175.241 174.700 -0.200 0.000 1.117 795 T CA 0.344 62.206 62.100 -0.397 0.000 1.034 795 T CB -0.306 68.098 68.868 -0.773 0.000 0.968 795 T HN 0.518 8.758 8.240 -0.000 0.000 0.526 796 R N 0.407 120.842 120.500 -0.110 0.000 3.422 796 R HA -0.153 -4.388 4.340 -14.292 0.000 0.267 796 R C 1.076 177.339 176.300 -0.060 0.000 1.074 796 R CA 0.422 56.488 56.100 -0.056 0.000 0.718 796 R CB -2.110 28.154 30.300 -0.060 0.000 1.157 796 R HN 0.873 9.143 8.270 -0.000 0.000 0.440 797 G N -1.154 107.638 108.800 -0.013 0.000 2.184 797 G HA2 -0.275 -4.891 3.960 -14.292 0.000 0.206 797 G HA3 -0.275 -4.891 3.960 -14.292 0.000 0.206 797 G C 0.272 175.263 174.900 0.152 0.000 0.995 797 G CA -0.051 45.055 45.100 0.010 0.000 0.651 797 G HN 0.212 8.502 8.290 -0.000 0.000 0.511 798 M N 1.990 121.645 119.600 0.092 0.000 2.250 798 M HA 0.222 -3.873 4.480 -14.292 0.000 0.337 798 M C 0.837 177.376 176.300 0.399 0.000 1.161 798 M CA 0.816 56.221 55.300 0.175 0.000 1.088 798 M CB 0.217 32.841 32.600 0.039 0.000 1.639 798 M HN 0.150 8.440 8.290 -0.000 0.000 0.447 799 T N 4.142 118.898 114.554 0.338 0.000 2.870 799 T HA 0.222 -4.004 4.350 -14.292 0.000 0.300 799 T C -2.249 172.573 174.700 0.204 0.000 0.989 799 T CA -1.006 61.269 62.100 0.291 0.000 1.139 799 T CB 0.078 69.074 68.868 0.214 0.000 0.920 799 T HN 0.385 8.625 8.240 -0.000 0.000 0.537 800 P HA 0.067 4.487 4.420 -0.000 0.000 0.266 800 P C -0.647 176.453 177.300 -0.333 0.000 1.195 800 P CA -0.069 62.665 63.100 -0.609 0.000 0.768 800 P CB -0.160 31.034 31.700 -0.843 0.000 0.838 801 Y N 0.288 120.259 120.300 -0.549 0.000 2.994 801 Y HA -0.167 -4.214 4.550 -14.329 0.000 0.168 801 Y C -1.668 174.092 175.900 -0.234 0.000 1.648 801 Y CA -0.690 57.176 58.100 -0.390 0.000 0.924 801 Y CB -2.348 35.832 38.460 -0.466 0.000 1.415 801 Y HN 0.387 8.667 8.280 -0.000 0.000 0.391 802 P HA 0.191 4.611 4.420 -0.000 0.000 0.265 802 P C 1.211 178.483 177.300 -0.047 0.000 1.193 802 P CA 1.594 64.701 63.100 0.011 0.000 0.765 802 P CB 1.337 33.075 31.700 0.063 0.000 0.823 803 G N 1.384 110.146 108.800 -0.062 0.000 2.199 803 G HA2 -0.195 -4.811 3.960 -14.292 0.000 0.254 803 G HA3 -0.195 -4.811 3.960 -14.292 0.000 0.254 803 G C -0.135 174.658 174.900 -0.178 0.000 0.982 803 G CA 0.004 45.048 45.100 -0.094 0.000 0.632 803 G HN 0.556 8.846 8.290 -0.000 0.000 0.529 804 V N 2.319 122.082 119.914 -0.252 0.000 2.370 804 V HA 0.478 -3.977 4.120 -14.292 0.000 0.283 804 V C 0.548 176.463 176.094 -0.298 0.000 1.023 804 V CA -0.807 61.254 62.300 -0.397 0.000 0.857 804 V CB 1.645 33.031 31.823 -0.728 0.000 0.985 804 V HN 0.392 8.582 8.190 -0.000 0.000 0.443 805 Q N 2.551 122.163 119.800 -0.313 0.000 2.312 805 Q HA 0.236 -4.000 4.340 -14.292 0.000 0.236 805 Q C 0.604 176.420 176.000 -0.307 0.000 0.965 805 Q CA -0.527 55.112 55.803 -0.273 0.000 0.894 805 Q CB 0.850 29.396 28.738 -0.321 0.000 1.225 805 Q HN 0.606 8.876 8.270 -0.000 0.000 0.478 806 N N 0.977 119.590 118.700 -0.145 0.000 2.149 806 N HA -0.198 -4.033 4.740 -14.292 0.000 0.188 806 N C 1.515 176.981 175.510 -0.073 0.000 1.019 806 N CA 1.736 54.737 53.050 -0.082 0.000 0.857 806 N CB -0.317 38.186 38.487 0.028 0.000 0.997 806 N HN 0.600 8.980 8.380 -0.000 0.000 0.426 807 H N -0.274 118.775 119.070 -0.036 0.000 2.529 807 H HA 0.114 -3.903 4.556 -14.288 0.000 0.277 807 H C 1.147 176.468 175.328 -0.011 0.000 0.999 807 H CA 0.999 57.037 56.048 -0.018 0.000 1.256 807 H CB -0.228 29.527 29.762 -0.012 0.000 1.402 807 H HN 0.451 8.731 8.280 -0.000 0.000 0.566 808 E N 0.372 120.323 120.200 -0.415 0.000 2.474 808 E HA 0.023 -4.202 4.350 -14.292 0.000 0.195 808 E C 1.138 177.656 176.600 -0.136 0.000 1.039 808 E CA -0.176 56.079 56.400 -0.242 0.000 0.881 808 E CB 0.073 29.574 29.700 -0.330 0.000 0.970 808 E HN 0.312 8.672 8.360 -0.000 0.000 0.486 809 M N 0.512 120.021 119.600 -0.152 0.000 2.132 809 M HA -0.121 -4.217 4.480 -14.292 0.000 0.263 809 M C 1.970 178.270 176.300 -0.000 0.000 1.065 809 M CA 1.430 56.634 55.300 -0.159 0.000 1.122 809 M CB -0.999 31.461 32.600 -0.233 0.000 1.365 809 M HN 0.283 8.573 8.290 -0.000 0.000 0.411 810 Y N 1.321 121.581 120.300 -0.066 0.000 2.145 810 Y HA -0.281 -4.311 4.550 -14.299 0.000 0.286 810 Y C 2.042 177.963 175.900 0.034 0.000 1.145 810 Y CA 1.629 59.710 58.100 -0.032 0.000 1.148 810 Y CB -0.013 38.429 38.460 -0.031 0.000 0.981 810 Y HN 0.251 8.531 8.280 -0.000 0.000 0.507 811 D N -0.682 119.691 120.400 -0.045 0.000 2.117 811 D HA -0.226 -4.161 4.640 -14.292 0.000 0.197 811 D C 1.815 178.157 176.300 0.070 0.000 0.987 811 D CA 1.422 55.403 54.000 -0.032 0.000 0.829 811 D CB -0.668 40.154 40.800 0.037 0.000 0.961 811 D HN 0.448 8.818 8.370 -0.000 0.000 0.460 812 Y N 1.443 121.694 120.300 -0.081 0.000 2.128 812 Y HA -0.184 -4.225 4.550 -14.318 0.000 0.284 812 Y C 2.264 178.201 175.900 0.061 0.000 1.154 812 Y CA 1.408 59.491 58.100 -0.028 0.000 1.149 812 Y CB -0.386 37.983 38.460 -0.151 0.000 0.976 812 Y HN -0.086 8.194 8.280 -0.000 0.000 0.505 813 L N -1.159 120.079 121.223 0.025 0.000 2.109 813 L HA -0.162 -4.397 4.340 -14.292 0.000 0.207 813 L C 2.306 179.124 176.870 -0.087 0.000 1.086 813 L CA 0.694 55.527 54.840 -0.013 0.000 0.760 813 L CB -0.597 41.501 42.059 0.065 0.000 0.910 813 L HN 0.240 8.470 8.230 -0.000 0.000 0.437 814 L N -0.584 120.524 121.223 -0.192 0.000 2.191 814 L HA -0.208 -4.443 4.340 -14.292 0.000 0.212 814 L C 2.050 178.792 176.870 -0.215 0.000 1.103 814 L CA 1.760 56.436 54.840 -0.273 0.000 0.769 814 L CB -0.469 41.300 42.059 -0.484 0.000 0.908 814 L HN 0.244 8.474 8.230 -0.000 0.000 0.438 815 H N -0.686 118.252 119.070 -0.220 0.000 2.543 815 H HA 0.314 -3.709 4.556 -14.298 0.000 0.269 815 H C 1.567 176.657 175.328 -0.397 0.000 1.005 815 H CA 0.490 56.389 56.048 -0.249 0.000 1.146 815 H CB -0.064 29.592 29.762 -0.176 0.000 1.353 815 H HN 0.376 8.656 8.280 -0.000 0.000 0.595 816 G N -0.038 108.621 108.800 -0.235 0.000 2.176 816 G HA2 -0.271 -4.887 3.960 -14.292 0.000 0.253 816 G HA3 -0.271 -4.887 3.960 -14.292 0.000 0.253 816 G C -0.107 174.637 174.900 -0.260 0.000 0.979 816 G CA -0.197 44.771 45.100 -0.220 0.000 0.641 816 G HN 0.456 8.746 8.290 -0.000 0.000 0.530 817 H N 0.591 119.517 119.070 -0.239 0.000 2.629 817 H HA 0.623 -3.404 4.556 -14.305 0.000 0.357 817 H C 0.784 176.008 175.328 -0.174 0.000 1.121 817 H CA 0.190 56.037 56.048 -0.335 0.000 1.406 817 H CB 0.895 30.051 29.762 -1.010 0.000 1.456 817 H HN 0.216 8.496 8.280 -0.000 0.000 0.579 818 R N 1.125 121.688 120.500 0.106 0.000 2.855 818 R HA 0.342 -3.894 4.340 -14.292 0.000 0.266 818 R C -0.236 176.027 176.300 -0.062 0.000 1.034 818 R CA -1.213 54.876 56.100 -0.019 0.000 0.944 818 R CB 1.330 31.564 30.300 -0.109 0.000 1.219 818 R HN 0.469 8.739 8.270 -0.000 0.000 0.474 819 L N 2.245 123.079 121.223 -0.649 0.000 2.615 819 L HA -0.033 -4.268 4.340 -14.292 0.000 0.284 819 L C 0.695 177.586 176.870 0.036 0.000 1.237 819 L CA 0.798 55.163 54.840 -0.792 0.000 0.905 819 L CB -0.078 40.975 42.059 -1.677 0.000 1.149 819 L HN 0.218 8.448 8.230 -0.000 0.000 0.499 820 K N 2.923 123.415 120.400 0.152 0.000 2.154 820 K HA 0.166 -4.090 4.320 -14.292 0.000 0.264 820 K C -0.143 176.629 176.600 0.287 0.000 1.008 820 K CA -0.624 55.809 56.287 0.244 0.000 0.937 820 K CB 0.570 33.163 32.500 0.155 0.000 1.002 820 K HN 0.471 8.721 8.250 -0.000 0.000 0.469 821 Q N 2.558 122.188 119.800 -0.282 0.000 2.274 821 Q HA 0.061 -4.174 4.340 -14.292 0.000 0.280 821 Q C -2.172 173.739 176.000 -0.148 0.000 1.047 821 Q CA -1.457 54.005 55.803 -0.569 0.000 0.907 821 Q CB 0.372 28.491 28.738 -1.032 0.000 1.171 821 Q HN 0.211 8.481 8.270 -0.000 0.000 0.381 822 P HA -0.065 4.355 4.420 -0.000 0.000 0.269 822 P C -0.070 177.161 177.300 -0.115 0.000 1.217 822 P CA -0.068 62.940 63.100 -0.155 0.000 0.783 822 P CB 0.718 32.263 31.700 -0.258 0.000 0.898 823 E N 1.074 121.217 120.200 -0.095 0.000 2.023 823 E HA -0.231 -4.457 4.350 -14.292 0.000 0.196 823 E C 0.952 177.518 176.600 -0.056 0.000 1.003 823 E CA 1.870 58.230 56.400 -0.067 0.000 0.809 823 E CB -0.510 29.159 29.700 -0.051 0.000 0.755 823 E HN 0.492 8.852 8.360 -0.000 0.000 0.449 824 D N -1.201 119.170 120.400 -0.048 0.000 2.427 824 D HA 0.101 -3.835 4.640 -14.292 0.000 0.224 824 D C -0.980 175.307 176.300 -0.023 0.000 1.157 824 D CA -0.164 53.819 54.000 -0.029 0.000 0.828 824 D CB -0.035 40.755 40.800 -0.015 0.000 0.974 824 D HN 0.105 8.475 8.370 -0.000 0.000 0.498 825 C N 0.988 120.268 119.300 -0.033 0.000 2.452 825 C HA 0.356 -3.760 4.460 -14.292 0.000 0.379 825 C C 0.650 175.644 174.990 0.007 0.000 1.275 825 C CA -1.056 57.957 59.018 -0.010 0.000 2.056 825 C CB -0.154 27.584 27.740 -0.003 0.000 2.506 825 C HN 0.314 8.544 8.230 -0.000 0.000 0.560 826 L N 3.497 124.733 121.223 0.021 0.000 2.525 826 L HA 0.012 -4.223 4.340 -14.292 0.000 0.278 826 L C 1.240 178.145 176.870 0.058 0.000 1.218 826 L CA 0.153 55.010 54.840 0.028 0.000 0.878 826 L CB 0.302 42.377 42.059 0.026 0.000 1.127 826 L HN 0.669 8.899 8.230 -0.000 0.000 0.492 827 D N 1.447 121.878 120.400 0.050 0.000 2.149 827 D HA -0.170 -4.105 4.640 -14.292 0.000 0.198 827 D C 1.848 178.200 176.300 0.087 0.000 0.990 827 D CA 1.303 55.352 54.000 0.082 0.000 0.839 827 D CB 0.126 40.953 40.800 0.045 0.000 0.948 827 D HN 0.570 8.940 8.370 -0.000 0.000 0.460 828 E N 0.078 120.307 120.200 0.049 0.000 2.085 828 E HA -0.149 -4.375 4.350 -14.292 0.000 0.194 828 E C 1.922 178.544 176.600 0.036 0.000 0.994 828 E CA 0.412 56.830 56.400 0.031 0.000 0.801 828 E CB -0.219 29.493 29.700 0.020 0.000 0.743 828 E HN 0.172 8.532 8.360 -0.000 0.000 0.453 829 L N -0.477 120.780 121.223 0.058 0.000 2.056 829 L HA -0.128 -4.363 4.340 -14.292 0.000 0.207 829 L C 2.111 179.029 176.870 0.081 0.000 1.078 829 L CA 1.636 56.512 54.840 0.059 0.000 0.749 829 L CB -0.590 41.508 42.059 0.064 0.000 0.901 829 L HN 0.165 8.395 8.230 -0.000 0.000 0.433 830 Y N 0.833 121.136 120.300 0.006 0.000 2.181 830 Y HA -0.239 -4.254 4.550 -14.275 0.000 0.288 830 Y C 2.385 178.284 175.900 -0.002 0.000 1.146 830 Y CA 2.054 60.172 58.100 0.031 0.000 1.164 830 Y CB -0.253 38.243 38.460 0.060 0.000 0.982 830 Y HN 0.388 8.668 8.280 -0.000 0.000 0.515 831 E N 0.040 120.207 120.200 -0.056 0.000 2.114 831 E HA -0.269 -4.494 4.350 -14.292 0.000 0.199 831 E C 2.173 178.667 176.600 -0.177 0.000 1.008 831 E CA 2.007 58.327 56.400 -0.135 0.000 0.810 831 E CB -0.347 29.321 29.700 -0.054 0.000 0.739 831 E HN 0.547 8.907 8.360 -0.000 0.000 0.456 832 I N 0.373 120.857 120.570 -0.143 0.000 2.163 832 I HA -0.291 -4.696 4.170 -14.292 0.000 0.240 832 I C 2.571 178.507 176.117 -0.302 0.000 1.081 832 I CA 1.005 62.215 61.300 -0.150 0.000 1.353 832 I CB -0.265 37.701 38.000 -0.056 0.000 1.054 832 I HN 0.137 8.347 8.210 -0.000 0.000 0.407 833 M N -0.440 118.930 119.600 -0.382 0.000 2.088 833 M HA -0.315 -4.410 4.480 -14.292 0.000 0.256 833 M C 2.558 178.004 176.300 -1.422 0.000 1.071 833 M CA 2.274 57.133 55.300 -0.735 0.000 1.097 833 M CB -0.706 31.596 32.600 -0.498 0.000 1.315 833 M HN 0.217 8.507 8.290 -0.000 0.000 0.406 834 Y N 0.887 120.438 120.300 -1.248 0.000 2.181 834 Y HA -0.295 -4.249 4.550 -14.174 0.000 0.288 834 Y C 2.876 178.327 175.900 -0.750 0.000 1.146 834 Y CA 2.086 59.548 58.100 -1.064 0.000 1.164 834 Y CB -0.360 37.654 38.460 -0.743 0.000 0.982 834 Y HN 0.403 8.683 8.280 -0.000 0.000 0.515 835 S N -1.483 113.988 115.700 -0.381 0.000 2.440 835 S HA -0.248 -4.353 4.470 -14.292 0.000 0.240 835 S C 1.864 176.228 174.600 -0.393 0.000 1.014 835 S CA 1.412 59.449 58.200 -0.272 0.000 0.980 835 S CB -1.458 61.634 63.200 -0.179 0.000 0.775 835 S HN 0.538 8.848 8.310 -0.000 0.000 0.499 836 C N 0.082 118.969 119.300 -0.688 0.000 2.481 836 C HA 0.214 -3.902 4.460 -14.292 0.000 0.275 836 C C 1.337 175.969 174.990 -0.597 0.000 1.419 836 C CA -0.525 58.109 59.018 -0.640 0.000 1.773 836 C CB -1.488 25.808 27.740 -0.741 0.000 1.862 836 C HN 0.788 9.018 8.230 -0.000 0.000 0.530 837 W N 0.780 121.716 121.300 -0.607 0.000 2.966 837 W HA 0.352 4.487 4.660 -0.874 0.000 0.406 837 W C 0.581 176.848 176.519 -0.420 0.000 1.027 837 W CA -1.056 55.694 57.345 -0.992 0.000 1.930 837 W CB -0.948 27.646 29.460 -1.443 0.000 1.144 837 W HN 0.253 8.433 8.180 -0.000 0.000 0.626 838 R N 0.590 121.042 120.500 -0.080 0.000 2.585 838 R HA 0.065 -4.170 4.340 -14.292 0.000 0.275 838 R C 1.525 177.919 176.300 0.156 0.000 1.018 838 R CA 0.743 56.852 56.100 0.015 0.000 1.072 838 R CB 0.839 31.135 30.300 -0.005 0.000 0.953 838 R HN -0.127 8.143 8.270 -0.000 0.000 0.419 839 T N 0.701 115.333 114.554 0.131 0.000 2.652 839 T HA -0.167 -4.392 4.350 -14.292 0.000 0.267 839 T C 0.612 175.374 174.700 0.102 0.000 1.039 839 T CA 1.211 63.395 62.100 0.141 0.000 1.153 839 T CB -0.117 68.795 68.868 0.073 0.000 0.863 839 T HN 0.533 8.773 8.240 -0.000 0.000 0.428 840 D N 1.696 122.134 120.400 0.064 0.000 2.339 840 D HA 0.129 -3.806 4.640 -14.292 0.000 0.256 840 D C -1.759 174.568 176.300 0.045 0.000 1.214 840 D CA -2.351 51.673 54.000 0.041 0.000 0.877 840 D CB 1.544 42.358 40.800 0.023 0.000 1.111 840 D HN -0.001 8.369 8.370 -0.000 0.000 0.478 841 P HA -0.133 4.287 4.420 -0.000 0.000 0.216 841 P C 1.564 178.867 177.300 0.005 0.000 1.150 841 P CA 0.951 64.069 63.100 0.030 0.000 0.843 841 P CB 0.193 31.894 31.700 0.002 0.000 0.787 842 L N -1.015 120.209 121.223 0.000 0.000 2.275 842 L HA -0.135 -4.370 4.340 -14.292 0.000 0.215 842 L C 1.591 178.452 176.870 -0.014 0.000 1.119 842 L CA 1.220 56.054 54.840 -0.010 0.000 0.790 842 L CB -0.866 41.189 42.059 -0.006 0.000 0.919 842 L HN -0.009 8.221 8.230 -0.000 0.000 0.443 843 D N 0.032 120.428 120.400 -0.007 0.000 2.289 843 D HA -0.004 -3.939 4.640 -14.292 0.000 0.207 843 D C 0.958 177.238 176.300 -0.034 0.000 0.966 843 D CA 0.456 54.448 54.000 -0.013 0.000 0.868 843 D CB 0.104 40.904 40.800 0.000 0.000 0.943 843 D HN 0.236 8.606 8.370 -0.000 0.000 0.514 844 R N 1.731 122.207 120.500 -0.039 0.000 2.590 844 R HA 0.176 -4.059 4.340 -14.292 0.000 0.274 844 R C -2.088 174.151 176.300 -0.101 0.000 1.061 844 R CA -1.006 55.047 56.100 -0.079 0.000 1.081 844 R CB 0.193 30.454 30.300 -0.065 0.000 0.984 844 R HN 0.084 8.354 8.270 -0.000 0.000 0.448 845 P HA 0.022 4.442 4.420 -0.000 0.000 0.276 845 P C -0.365 176.819 177.300 -0.193 0.000 1.261 845 P CA -0.423 62.599 63.100 -0.130 0.000 0.800 845 P CB 0.563 32.191 31.700 -0.119 0.000 1.066 846 T N -2.350 112.111 114.554 -0.154 0.000 2.788 846 T HA 0.202 -4.024 4.350 -14.292 0.000 0.287 846 T C 1.094 175.656 174.700 -0.229 0.000 1.007 846 T CA -0.168 61.825 62.100 -0.178 0.000 1.005 846 T CB -0.186 68.643 68.868 -0.064 0.000 1.012 846 T HN 0.105 8.345 8.240 -0.000 0.000 0.530 847 F N 0.818 120.707 119.950 -0.103 0.000 2.216 847 F HA -0.040 -4.087 4.527 -14.290 0.000 0.300 847 F C 3.056 178.773 175.800 -0.139 0.000 1.085 847 F CA 1.459 59.352 58.000 -0.178 0.000 1.326 847 F CB -0.806 38.063 39.000 -0.219 0.000 1.027 847 F HN 0.753 9.053 8.300 -0.000 0.000 0.497 848 S N -0.634 115.108 115.700 0.071 0.000 2.402 848 S HA -0.127 -4.232 4.470 -14.292 0.000 0.229 848 S C 2.052 176.657 174.600 0.009 0.000 1.021 848 S CA 1.299 59.517 58.200 0.029 0.000 0.974 848 S CB -1.078 62.132 63.200 0.018 0.000 0.800 848 S HN 0.147 8.457 8.310 -0.000 0.000 0.484 849 V N 2.235 122.141 119.914 -0.013 0.000 2.270 849 V HA -0.076 -4.531 4.120 -14.292 0.000 0.245 849 V C 2.605 178.693 176.094 -0.010 0.000 1.043 849 V CA 1.752 64.040 62.300 -0.020 0.000 1.014 849 V CB -0.907 30.892 31.823 -0.040 0.000 0.645 849 V HN 0.435 8.625 8.190 -0.000 0.000 0.447 850 L N -0.239 120.972 121.223 -0.021 0.000 2.013 850 L HA -0.227 -4.463 4.340 -14.292 0.000 0.212 850 L C 2.813 179.720 176.870 0.062 0.000 1.073 850 L CA 1.868 56.723 54.840 0.026 0.000 0.753 850 L CB -0.769 41.301 42.059 0.018 0.000 0.890 850 L HN 0.263 8.493 8.230 -0.000 0.000 0.432 851 R N 0.457 120.978 120.500 0.035 0.000 2.096 851 R HA -0.224 -4.459 4.340 -14.292 0.000 0.240 851 R C 2.276 178.604 176.300 0.047 0.000 1.139 851 R CA 1.995 58.121 56.100 0.043 0.000 0.952 851 R CB -0.690 29.622 30.300 0.021 0.000 0.854 851 R HN 0.258 8.528 8.270 -0.000 0.000 0.436 852 L N 1.611 122.853 121.223 0.032 0.000 2.093 852 L HA -0.114 -4.350 4.340 -14.292 0.000 0.208 852 L C 2.299 179.186 176.870 0.028 0.000 1.085 852 L CA 1.666 56.522 54.840 0.027 0.000 0.755 852 L CB -0.514 41.555 42.059 0.017 0.000 0.904 852 L HN 0.206 8.436 8.230 -0.000 0.000 0.435 853 Q N -0.840 118.977 119.800 0.029 0.000 2.135 853 Q HA -0.203 -4.439 4.340 -14.292 0.000 0.204 853 Q C 2.231 178.256 176.000 0.042 0.000 0.981 853 Q CA 1.928 57.747 55.803 0.028 0.000 0.856 853 Q CB -0.229 28.521 28.738 0.021 0.000 0.902 853 Q HN 0.512 8.782 8.270 -0.000 0.000 0.425 854 L N 0.124 121.387 121.223 0.067 0.000 2.131 854 L HA -0.128 -4.363 4.340 -14.292 0.000 0.206 854 L C 2.126 179.031 176.870 0.057 0.000 1.087 854 L CA 0.874 55.762 54.840 0.079 0.000 0.767 854 L CB -0.171 41.971 42.059 0.138 0.000 0.917 854 L HN 0.192 8.422 8.230 -0.000 0.000 0.441 855 E N -0.197 120.033 120.200 0.051 0.000 2.051 855 E HA -0.208 -4.433 4.350 -14.292 0.000 0.192 855 E C 2.376 178.991 176.600 0.024 0.000 0.991 855 E CA 1.354 57.775 56.400 0.035 0.000 0.799 855 E CB 0.072 29.792 29.700 0.033 0.000 0.748 855 E HN 0.184 8.544 8.360 -0.000 0.000 0.449 856 K N 0.346 120.760 120.400 0.023 0.000 2.103 856 K HA -0.080 -4.335 4.320 -14.292 0.000 0.204 856 K C 2.033 178.642 176.600 0.015 0.000 1.052 856 K CA 0.661 56.958 56.287 0.016 0.000 0.945 856 K CB -0.581 31.926 32.500 0.013 0.000 0.722 856 K HN 0.119 8.369 8.250 -0.000 0.000 0.443 857 L N 0.828 122.062 121.223 0.019 0.000 1.994 857 L HA -0.032 -4.268 4.340 -14.292 0.000 0.208 857 L C 2.163 179.041 176.870 0.013 0.000 1.071 857 L CA 1.679 56.530 54.840 0.017 0.000 0.745 857 L CB -0.790 41.283 42.059 0.023 0.000 0.892 857 L HN 0.244 8.474 8.230 -0.000 0.000 0.431 858 L N -0.201 121.031 121.223 0.015 0.000 2.079 858 L HA -0.226 -4.461 4.340 -14.292 0.000 0.210 858 L C 2.448 179.319 176.870 0.002 0.000 1.081 858 L CA 2.088 56.932 54.840 0.006 0.000 0.752 858 L CB -0.921 41.141 42.059 0.005 0.000 0.896 858 L HN 0.553 8.783 8.230 -0.000 0.000 0.433 859 E N -0.736 119.467 120.200 0.005 0.000 2.110 859 E HA -0.223 -4.448 4.350 -14.292 0.000 0.193 859 E C 2.057 178.658 176.600 0.002 0.000 0.988 859 E CA 1.271 57.673 56.400 0.003 0.000 0.804 859 E CB -0.109 29.595 29.700 0.006 0.000 0.745 859 E HN 0.729 9.089 8.360 -0.000 0.000 0.458 860 S N -0.326 115.376 115.700 0.004 0.000 2.561 860 S HA 0.040 -4.066 4.470 -14.292 0.000 0.225 860 S C 1.080 175.681 174.600 0.002 0.000 0.977 860 S CA -0.181 58.021 58.200 0.003 0.000 0.926 860 S CB -0.177 63.026 63.200 0.004 0.000 0.769 860 S HN 0.090 8.400 8.310 -0.000 0.000 0.533 861 L N 0.000 121.223 121.223 0.000 0.000 2.949 861 L HA 0.000 -4.235 4.340 -14.292 0.000 0.249 861 L CA 0.000 54.839 54.840 -0.001 0.000 0.813 861 L CB 0.000 42.057 42.059 -0.003 0.000 0.961 861 L HN 0.000 8.230 8.230 -0.000 0.000 0.502