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 1fr0_1_A DATA FIRST_RESID 654 DATA SEQUENCE TTEENSKSEA LLDIPMLEQY LELVGPKLIT DGLAVFEKMM PGYVSVLESN DATA SEQUENCE LTAQDKKGIV EEGHKIKGAA GSVGLRHLQQ LGQQIQSPDL PAWEDNVGEW DATA SEQUENCE IEEMKEEWRH DVEVLKAWVA KATKK 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 654 T HA 0.000 4.351 4.350 0.002 0.000 0.228 654 T C 0.000 174.702 174.700 0.003 0.000 1.109 654 T CA 0.000 62.102 62.100 0.003 0.000 1.349 654 T CB 0.000 68.870 68.868 0.004 0.000 0.612 655 T N -0.482 114.074 114.554 0.003 0.000 3.639 655 T HA -0.296 4.055 4.350 0.002 0.000 0.386 655 T C -0.568 174.134 174.700 0.004 0.000 0.764 655 T CA 1.056 63.158 62.100 0.003 0.000 1.954 655 T CB -0.282 68.588 68.868 0.004 0.000 1.755 655 T HN 0.125 8.366 8.240 0.002 0.000 0.715 656 E N 0.866 121.068 120.200 0.004 0.000 2.152 656 E HA -0.079 4.276 4.350 0.008 0.000 0.195 656 E C 1.291 177.894 176.600 0.005 0.000 0.934 656 E CA 0.964 57.367 56.400 0.005 0.000 0.869 656 E CB 0.570 30.272 29.700 0.004 0.000 0.842 656 E HN 0.013 8.378 8.360 0.002 -0.004 0.472 657 E N -2.014 118.187 120.200 0.002 0.000 4.429 657 E HA -0.400 3.948 4.350 -0.002 0.000 0.185 657 E C -0.243 176.357 176.600 0.001 0.000 1.272 657 E CA 1.944 58.344 56.400 0.000 0.000 2.340 657 E CB -0.675 29.025 29.700 0.001 0.000 1.837 657 E HN 0.285 8.645 8.360 0.000 0.000 0.389 658 N N 1.271 119.975 118.700 0.006 0.000 2.626 658 N HA 0.186 4.931 4.740 0.008 0.000 0.249 658 N C -1.026 174.495 175.510 0.018 0.000 1.021 658 N CA -0.244 52.813 53.050 0.011 0.000 0.886 658 N CB 0.694 39.189 38.487 0.012 0.000 1.149 658 N HN 0.183 8.507 8.380 0.008 0.060 0.517 659 S N 3.196 118.905 115.700 0.014 0.000 2.618 659 S HA 0.187 4.669 4.470 0.020 0.000 0.242 659 S C 0.875 175.488 174.600 0.022 0.000 0.972 659 S CA -1.527 56.682 58.200 0.015 0.000 1.004 659 S CB 0.015 63.215 63.200 0.001 0.000 0.778 659 S HN 0.667 8.982 8.310 0.008 0.000 0.459 660 K N 0.403 120.831 120.400 0.047 0.000 2.218 660 K HA -0.301 4.085 4.320 0.111 0.000 0.205 660 K C -0.325 176.321 176.600 0.077 0.000 1.046 660 K CA 2.372 58.715 56.287 0.094 0.000 0.933 660 K CB -0.020 32.550 32.500 0.116 0.000 0.728 660 K HN -0.088 8.089 8.250 0.042 0.098 0.454 661 S N -3.576 112.166 115.700 0.070 0.000 2.312 661 S HA 0.132 4.650 4.470 0.081 0.000 0.211 661 S C -1.496 173.139 174.600 0.057 0.000 1.315 661 S CA -0.068 58.184 58.200 0.086 0.000 1.267 661 S CB 0.144 63.425 63.200 0.134 0.000 1.072 661 S HN -0.039 8.279 8.310 0.063 0.030 0.490 662 E N 0.111 120.316 120.200 0.008 0.000 1.637 662 E HA 0.011 4.345 4.350 -0.026 0.000 0.219 662 E C -1.655 174.926 176.600 -0.032 0.000 1.053 662 E CA 1.224 57.618 56.400 -0.011 0.000 1.275 662 E CB 1.316 31.024 29.700 0.014 0.000 4.322 662 E HN -0.490 7.866 8.360 -0.007 0.000 0.847 663 A N -1.402 121.401 122.820 -0.029 0.000 2.220 663 A HA 0.057 4.362 4.320 -0.025 0.000 0.211 663 A C 0.599 178.155 177.584 -0.046 0.000 1.176 663 A CA 1.619 53.636 52.037 -0.033 0.000 0.834 663 A CB 0.740 19.722 19.000 -0.029 0.000 0.868 663 A HN -0.115 8.022 8.150 -0.021 0.000 0.488 664 L N -3.674 117.504 121.223 -0.074 0.000 2.408 664 L HA -0.039 4.270 4.340 -0.052 0.000 0.215 664 L C -1.184 175.659 176.870 -0.046 0.000 1.081 664 L CA 0.979 55.765 54.840 -0.089 0.000 0.840 664 L CB 1.156 43.072 42.059 -0.240 0.000 1.002 664 L HN -0.446 7.695 8.230 -0.071 0.045 0.468 665 L N -11.088 110.085 121.223 -0.083 0.000 2.491 665 L HA 0.636 5.137 4.340 -0.100 -0.221 0.254 665 L C -2.053 174.717 176.870 -0.166 0.000 1.048 665 L CA -2.411 52.357 54.840 -0.121 0.000 0.855 665 L CB 3.587 45.561 42.059 -0.141 0.000 1.466 665 L HN -0.969 7.210 8.230 -0.086 0.000 0.409 666 D N 0.284 120.553 120.400 -0.219 0.000 2.325 666 D HA 0.140 4.671 4.640 -0.183 0.000 0.251 666 D C 0.359 176.441 176.300 -0.363 0.000 1.196 666 D CA -0.042 53.811 54.000 -0.246 0.000 0.866 666 D CB 1.254 41.898 40.800 -0.261 0.000 1.101 666 D HN -0.341 7.789 8.370 -0.226 0.104 0.476 667 I N 5.131 125.514 120.570 -0.311 0.000 2.286 667 I HA -0.086 3.615 4.170 -0.780 0.000 0.245 667 I C -0.192 175.696 176.117 -0.381 0.000 1.104 667 I CA 2.928 63.973 61.300 -0.424 0.000 1.397 667 I CB -3.094 34.828 38.000 -0.131 0.000 1.072 667 I HN 0.369 8.457 8.210 -0.204 0.000 0.417 668 P HA -0.085 4.293 4.420 -0.069 0.000 0.215 668 P C 1.618 178.804 177.300 -0.191 0.000 1.157 668 P CA 2.699 65.719 63.100 -0.134 0.000 0.856 668 P CB -0.377 31.278 31.700 -0.076 0.000 0.786 669 M N -1.810 117.637 119.600 -0.255 0.000 2.108 669 M HA -0.362 3.959 4.480 -0.265 0.000 0.261 669 M C 2.213 178.239 176.300 -0.457 0.000 1.066 669 M CA 4.137 59.223 55.300 -0.358 0.000 1.107 669 M CB -0.086 32.261 32.600 -0.421 0.000 1.356 669 M HN -0.676 7.722 8.290 -0.240 -0.252 0.406 670 L N -2.117 118.813 121.223 -0.488 0.000 2.056 670 L HA -0.425 3.699 4.340 -0.359 0.000 0.207 670 L C 1.905 178.583 176.870 -0.320 0.000 1.078 670 L CA 3.069 57.625 54.840 -0.473 0.000 0.749 670 L CB -0.455 41.157 42.059 -0.745 0.000 0.901 670 L HN -0.409 7.516 8.230 -0.500 0.005 0.433 671 E N -0.655 119.305 120.200 -0.400 0.000 2.058 671 E HA -0.498 4.065 4.350 0.354 0.000 0.194 671 E C 2.304 178.981 176.600 0.127 0.000 0.997 671 E CA 3.522 59.958 56.400 0.060 0.000 0.801 671 E CB -0.069 29.738 29.700 0.178 0.000 0.746 671 E HN -0.416 7.550 8.360 -0.548 0.066 0.450 672 Q N -0.721 119.122 119.800 0.071 0.000 1.993 672 Q HA -0.309 4.101 4.340 0.117 0.000 0.202 672 Q C 3.013 179.147 176.000 0.224 0.000 0.984 672 Q CA 3.246 59.128 55.803 0.133 0.000 0.837 672 Q CB -0.151 28.655 28.738 0.113 0.000 0.902 672 Q HN 0.115 8.378 8.270 -0.012 0.000 0.423 673 Y N -0.216 120.073 120.300 -0.018 0.000 2.132 673 Y HA -0.397 4.148 4.550 -0.009 0.000 0.280 673 Y C 2.170 178.083 175.900 0.022 0.000 1.193 673 Y CA 2.599 60.693 58.100 -0.010 0.000 1.157 673 Y CB -0.388 38.050 38.460 -0.036 0.000 0.966 673 Y HN -0.118 8.356 8.280 0.324 0.000 0.511 674 L N -3.493 117.860 121.223 0.217 0.000 2.141 674 L HA -0.351 4.176 4.340 0.141 -0.103 0.209 674 L C 2.648 179.590 176.870 0.120 0.000 1.094 674 L CA 2.712 57.652 54.840 0.167 0.000 0.763 674 L CB -0.211 41.989 42.059 0.236 0.000 0.908 674 L HN -0.320 8.040 8.230 0.229 0.008 0.437 675 E N -1.361 118.912 120.200 0.121 0.000 2.511 675 E HA -0.179 4.218 4.350 0.078 0.000 0.196 675 E C 0.086 176.717 176.600 0.052 0.000 1.066 675 E CA 2.237 58.688 56.400 0.085 0.000 0.871 675 E CB -0.262 29.492 29.700 0.091 0.000 0.863 675 E HN -0.048 8.254 8.360 0.148 0.147 0.520 676 L N -3.029 118.216 121.223 0.037 0.000 2.670 676 L HA 0.047 4.386 4.340 -0.001 0.000 0.177 676 L C 1.468 178.324 176.870 -0.023 0.000 1.181 676 L CA 1.983 56.818 54.840 -0.008 0.000 0.856 676 L CB 1.299 43.326 42.059 -0.052 0.000 1.205 676 L HN -0.499 7.552 8.230 0.055 0.212 0.506 677 V N -5.087 114.800 119.914 -0.044 0.000 3.565 677 V HA 0.120 4.222 4.120 -0.030 0.000 0.260 677 V C 0.471 176.567 176.094 0.003 0.000 1.231 677 V CA 0.383 62.661 62.300 -0.037 0.000 1.100 677 V CB 1.254 33.028 31.823 -0.083 0.000 0.807 677 V HN -0.355 7.796 8.190 -0.065 0.000 0.454 678 G N -0.272 108.547 108.800 0.031 0.000 2.568 678 G HA2 -0.270 3.810 3.960 0.087 0.000 0.222 678 G HA3 -0.270 3.721 3.960 0.051 0.000 0.222 678 G C -2.616 172.330 174.900 0.076 0.000 1.321 678 G CA -0.110 45.028 45.100 0.063 0.000 0.893 678 G HN -0.534 7.775 8.290 0.032 0.000 0.569 679 P HA -0.028 4.457 4.420 0.109 0.000 0.242 679 P C -0.082 177.257 177.300 0.065 0.000 1.197 679 P CA 0.663 63.815 63.100 0.087 0.000 0.765 679 P CB -0.107 31.643 31.700 0.084 0.000 0.936 680 K N -1.099 119.329 120.400 0.046 0.000 2.025 680 K HA -0.235 4.107 4.320 0.036 0.000 0.207 680 K C 1.802 178.419 176.600 0.028 0.000 1.049 680 K CA 3.142 59.448 56.287 0.032 0.000 0.933 680 K CB -0.433 32.077 32.500 0.017 0.000 0.714 680 K HN -0.643 7.546 8.250 0.042 0.086 0.438 681 L N -1.031 120.200 121.223 0.013 0.000 2.044 681 L HA -0.135 4.201 4.340 -0.005 0.000 0.205 681 L C 1.703 178.603 176.870 0.049 0.000 1.075 681 L CA 2.912 57.752 54.840 -0.001 0.000 0.747 681 L CB -0.277 41.733 42.059 -0.081 0.000 0.903 681 L HN -0.639 7.595 8.230 0.007 0.000 0.435 682 I N -1.949 118.673 120.570 0.086 0.000 2.226 682 I HA -0.518 3.733 4.170 0.135 0.000 0.245 682 I C 2.044 178.219 176.117 0.095 0.000 1.100 682 I CA 4.614 65.984 61.300 0.116 0.000 1.374 682 I CB -0.192 37.888 38.000 0.134 0.000 1.057 682 I HN -0.635 7.624 8.210 0.081 0.000 0.413 683 T N 0.930 115.536 114.554 0.087 0.000 2.857 683 T HA -0.335 4.073 4.350 0.097 0.000 0.266 683 T C 1.861 176.610 174.700 0.081 0.000 1.048 683 T CA 5.111 67.263 62.100 0.086 0.000 1.139 683 T CB -0.392 68.521 68.868 0.075 0.000 0.874 683 T HN -0.161 8.013 8.240 0.081 0.115 0.455 684 D N 2.029 122.469 120.400 0.066 0.000 2.075 684 D HA -0.167 4.509 4.640 0.059 0.000 0.196 684 D C 2.006 178.350 176.300 0.073 0.000 0.985 684 D CA 3.106 57.142 54.000 0.059 0.000 0.834 684 D CB -0.259 40.565 40.800 0.039 0.000 0.987 684 D HN -0.152 8.148 8.370 0.059 0.106 0.452 685 G N -0.730 108.111 108.800 0.068 0.000 2.553 685 G HA2 -0.349 3.657 3.960 0.077 0.000 0.218 685 G HA3 -0.349 3.651 3.960 0.067 0.000 0.218 685 G C 1.463 176.434 174.900 0.119 0.000 1.195 685 G CA 2.260 47.408 45.100 0.079 0.000 0.779 685 G HN -0.021 8.302 8.290 0.056 0.000 0.577 686 L N 1.467 122.759 121.223 0.114 0.000 2.043 686 L HA -0.361 4.079 4.340 0.167 0.000 0.212 686 L C 1.565 178.573 176.870 0.230 0.000 1.075 686 L CA 2.473 57.416 54.840 0.171 0.000 0.752 686 L CB -0.450 41.693 42.059 0.141 0.000 0.891 686 L HN -0.614 7.673 8.230 0.094 0.000 0.432 687 A N -0.610 122.307 122.820 0.161 0.000 1.859 687 A HA -0.450 3.956 4.320 0.145 0.000 0.218 687 A C 2.194 179.860 177.584 0.136 0.000 1.209 687 A CA 3.109 55.229 52.037 0.138 0.000 0.639 687 A CB -1.025 18.032 19.000 0.096 0.000 0.835 687 A HN -0.346 7.701 8.150 0.131 0.182 0.450 688 V N -1.461 118.526 119.914 0.122 0.000 2.380 688 V HA -0.573 3.580 4.120 0.055 0.000 0.251 688 V C 1.647 177.813 176.094 0.120 0.000 1.063 688 V CA 4.109 66.466 62.300 0.096 0.000 1.055 688 V CB -0.146 31.733 31.823 0.093 0.000 0.657 688 V HN -0.673 7.585 8.190 0.113 0.000 0.455 689 F N 0.783 120.751 119.950 0.031 0.000 2.060 689 F HA -0.491 4.049 4.527 0.022 0.000 0.295 689 F C 1.178 176.972 175.800 -0.010 0.000 1.120 689 F CA 3.611 61.618 58.000 0.012 0.000 1.205 689 F CB 0.310 39.318 39.000 0.013 0.000 0.986 689 F HN -0.606 7.779 8.300 0.327 0.111 0.470 690 E N -1.868 118.438 120.200 0.176 0.000 2.273 690 E HA -0.404 4.023 4.350 0.128 0.000 0.198 690 E C 1.801 178.400 176.600 -0.002 0.000 1.002 690 E CA 2.524 59.006 56.400 0.136 0.000 0.828 690 E CB -0.307 29.568 29.700 0.292 0.000 0.747 690 E HN -0.002 8.586 8.360 0.379 0.000 0.491 691 K N -1.769 118.611 120.400 -0.033 0.000 2.098 691 K HA -0.096 4.212 4.320 -0.020 0.000 0.203 691 K C 1.293 177.802 176.600 -0.151 0.000 1.051 691 K CA 2.016 58.270 56.287 -0.056 0.000 0.957 691 K CB 0.689 33.172 32.500 -0.028 0.000 0.738 691 K HN -0.622 7.465 8.250 0.004 0.165 0.447 692 M N -1.725 117.732 119.600 -0.238 0.000 2.453 692 M HA 0.124 4.406 4.480 -0.330 0.000 0.239 692 M C 1.506 177.565 176.300 -0.402 0.000 1.151 692 M CA 0.479 55.565 55.300 -0.357 0.000 0.989 692 M CB 0.307 32.662 32.600 -0.409 0.000 1.548 692 M HN -0.509 7.576 8.290 -0.215 0.077 0.479 693 M N 3.045 122.331 119.600 -0.522 0.000 2.123 693 M HA 0.027 3.979 4.480 -0.881 0.000 0.263 693 M C -1.522 174.537 176.300 -0.402 0.000 1.069 693 M CA 3.564 58.400 55.300 -0.773 0.000 1.133 693 M CB -2.524 29.343 32.600 -1.221 0.000 1.356 693 M HN -0.078 7.861 8.290 -0.452 0.079 0.415 694 P HA 0.002 4.418 4.420 -0.007 0.000 0.220 694 P C 1.503 178.759 177.300 -0.073 0.000 1.152 694 P CA 2.581 65.648 63.100 -0.055 0.000 0.812 694 P CB -0.776 30.939 31.700 0.025 0.000 0.792 695 G N -2.191 106.527 108.800 -0.136 0.000 2.421 695 G HA2 -0.250 3.651 3.960 -0.098 0.000 0.217 695 G HA3 -0.250 3.581 3.960 -0.214 0.000 0.217 695 G C 1.021 175.837 174.900 -0.140 0.000 1.143 695 G CA 1.548 46.556 45.100 -0.153 0.000 0.784 695 G HN 0.135 8.301 8.290 -0.179 0.016 0.541 696 Y N 3.043 123.234 120.300 -0.181 0.000 2.070 696 Y HA -0.335 4.137 4.550 -0.130 0.000 0.279 696 Y C 2.456 178.283 175.900 -0.123 0.000 1.134 696 Y CA 2.040 60.039 58.100 -0.168 0.000 1.113 696 Y CB -0.044 38.260 38.460 -0.260 0.000 0.981 696 Y HN -0.509 7.478 8.280 -0.156 0.199 0.487 697 V N -3.478 116.471 119.914 0.059 0.000 2.317 697 V HA -0.595 3.540 4.120 0.025 0.000 0.251 697 V C 1.768 177.884 176.094 0.037 0.000 1.065 697 V CA 3.854 66.171 62.300 0.028 0.000 1.049 697 V CB -1.846 29.987 31.823 0.015 0.000 0.651 697 V HN -0.504 7.691 8.190 0.007 0.000 0.450 698 S N 1.155 116.868 115.700 0.022 0.000 2.359 698 S HA -0.454 4.028 4.470 0.021 0.000 0.223 698 S C 2.178 176.790 174.600 0.020 0.000 1.039 698 S CA 3.807 62.016 58.200 0.015 0.000 1.042 698 S CB -0.188 63.008 63.200 -0.008 0.000 0.915 698 S HN -0.754 7.555 8.310 0.009 0.006 0.439 699 V N 1.278 121.207 119.914 0.025 0.000 2.515 699 V HA -0.422 3.709 4.120 0.019 0.000 0.250 699 V C 1.283 177.404 176.094 0.045 0.000 1.058 699 V CA 4.332 66.652 62.300 0.033 0.000 1.064 699 V CB -0.161 31.690 31.823 0.047 0.000 0.675 699 V HN -0.646 7.557 8.190 0.022 0.000 0.461 700 L N 0.683 121.939 121.223 0.054 0.000 1.971 700 L HA -0.505 3.861 4.340 0.044 0.000 0.215 700 L C 2.008 178.900 176.870 0.036 0.000 1.072 700 L CA 4.508 59.374 54.840 0.043 0.000 0.758 700 L CB -0.613 41.467 42.059 0.036 0.000 0.889 700 L HN 0.267 8.428 8.230 0.065 0.108 0.433 701 E N -1.741 118.479 120.200 0.034 0.000 2.110 701 E HA -0.427 3.939 4.350 0.028 0.000 0.193 701 E C 2.735 179.350 176.600 0.025 0.000 0.988 701 E CA 3.142 59.559 56.400 0.029 0.000 0.804 701 E CB -0.366 29.351 29.700 0.030 0.000 0.745 701 E HN -0.114 8.267 8.360 0.035 0.000 0.458 702 S N -0.109 115.605 115.700 0.024 0.000 2.359 702 S HA -0.430 4.050 4.470 0.016 0.000 0.224 702 S C 1.487 176.100 174.600 0.021 0.000 1.035 702 S CA 3.478 61.689 58.200 0.019 0.000 1.018 702 S CB 0.097 63.307 63.200 0.016 0.000 0.876 702 S HN -0.122 8.119 8.310 0.025 0.085 0.448 703 N N 0.551 119.267 118.700 0.026 0.000 2.244 703 N HA -0.207 4.547 4.740 0.024 0.000 0.183 703 N C 2.477 178.005 175.510 0.030 0.000 1.016 703 N CA 2.378 55.445 53.050 0.028 0.000 0.866 703 N CB -0.291 38.216 38.487 0.033 0.000 0.980 703 N HN -0.094 8.304 8.380 0.029 0.000 0.430 704 L N 0.466 121.708 121.223 0.031 0.000 2.021 704 L HA -0.287 4.076 4.340 0.038 0.000 0.215 704 L C 2.086 178.971 176.870 0.026 0.000 1.074 704 L CA 3.565 58.423 54.840 0.030 0.000 0.760 704 L CB -0.901 41.172 42.059 0.024 0.000 0.889 704 L HN 0.098 8.241 8.230 0.030 0.106 0.433 705 T N -2.000 112.567 114.554 0.021 0.000 2.788 705 T HA -0.266 4.094 4.350 0.017 0.000 0.268 705 T C 1.202 175.914 174.700 0.019 0.000 1.044 705 T CA 3.394 65.505 62.100 0.018 0.000 1.139 705 T CB -0.246 68.631 68.868 0.016 0.000 0.867 705 T HN -0.355 7.899 8.240 0.021 -0.002 0.454 706 A N -1.209 121.623 122.820 0.020 0.000 2.235 706 A HA -0.010 4.319 4.320 0.016 0.000 0.208 706 A C -1.239 176.359 177.584 0.023 0.000 1.172 706 A CA -0.304 51.744 52.037 0.019 0.000 0.786 706 A CB -0.114 18.897 19.000 0.017 0.000 0.804 706 A HN -0.590 7.473 8.150 0.021 0.099 0.479 707 Q N -5.415 114.402 119.800 0.028 0.000 2.487 707 Q HA -0.422 3.944 4.340 0.044 0.000 0.279 707 Q C -1.063 174.959 176.000 0.036 0.000 1.228 707 Q CA 0.962 56.787 55.803 0.036 0.000 0.873 707 Q CB -2.346 26.410 28.738 0.031 0.000 1.260 707 Q HN -0.307 7.750 8.270 0.028 0.230 0.471 708 D N -0.124 120.297 120.400 0.035 0.000 2.608 708 D HA -0.049 4.605 4.640 0.025 0.000 0.224 708 D C -0.136 176.188 176.300 0.040 0.000 1.123 708 D CA 0.573 54.592 54.000 0.031 0.000 1.030 708 D CB -0.542 40.275 40.800 0.028 0.000 1.093 708 D HN -0.195 8.079 8.370 0.035 0.117 0.497 709 K N 3.447 123.872 120.400 0.043 0.000 1.965 709 K HA -0.408 3.965 4.320 0.090 0.000 0.214 709 K C 1.326 177.933 176.600 0.013 0.000 1.046 709 K CA 3.989 60.305 56.287 0.049 0.000 0.944 709 K CB -0.053 32.471 32.500 0.040 0.000 0.726 709 K HN -0.166 8.064 8.250 0.038 0.043 0.441 710 K N -0.753 119.641 120.400 -0.010 0.000 2.077 710 K HA -0.355 3.932 4.320 -0.054 0.000 0.213 710 K C 2.137 178.733 176.600 -0.005 0.000 1.051 710 K CA 3.518 59.789 56.287 -0.026 0.000 0.929 710 K CB -0.710 31.777 32.500 -0.023 0.000 0.715 710 K HN 0.379 8.624 8.250 -0.008 0.000 0.451 711 G N -2.157 106.650 108.800 0.011 0.000 2.433 711 G HA2 -0.235 3.741 3.960 0.026 0.000 0.216 711 G HA3 -0.235 3.741 3.960 0.026 0.000 0.216 711 G C 1.559 176.478 174.900 0.032 0.000 1.186 711 G CA 1.708 46.823 45.100 0.024 0.000 0.779 711 G HN -0.055 8.240 8.290 0.012 0.001 0.543 712 I N 2.345 122.936 120.570 0.035 0.000 2.163 712 I HA -0.599 3.593 4.170 0.037 0.000 0.243 712 I C 1.881 178.019 176.117 0.035 0.000 1.085 712 I CA 3.612 64.937 61.300 0.041 0.000 1.347 712 I CB 0.034 38.073 38.000 0.064 0.000 1.044 712 I HN -0.087 8.083 8.210 0.036 0.061 0.408 713 V N -0.402 119.522 119.914 0.016 0.000 2.282 713 V HA -0.601 3.502 4.120 -0.028 0.000 0.249 713 V C 1.758 177.890 176.094 0.063 0.000 1.057 713 V CA 4.434 66.720 62.300 -0.023 0.000 1.032 713 V CB -0.723 31.035 31.823 -0.108 0.000 0.645 713 V HN 0.192 8.389 8.190 0.011 0.000 0.447 714 E N -0.256 119.994 120.200 0.083 0.000 2.058 714 E HA -0.321 4.303 4.350 0.457 0.000 0.194 714 E C 2.757 179.474 176.600 0.196 0.000 0.997 714 E CA 3.120 59.681 56.400 0.268 0.000 0.801 714 E CB -0.180 29.608 29.700 0.146 0.000 0.746 714 E HN -0.633 7.746 8.360 0.033 0.000 0.450 715 E N -3.493 116.738 120.200 0.052 0.000 2.472 715 E HA -0.159 4.108 4.350 -0.138 0.000 0.200 715 E C 2.320 178.845 176.600 -0.125 0.000 1.046 715 E CA 1.787 58.140 56.400 -0.077 0.000 0.871 715 E CB -0.528 29.151 29.700 -0.034 0.000 0.806 715 E HN -0.281 8.112 8.360 0.056 0.000 0.533 716 G N -0.122 108.683 108.800 0.008 0.000 2.499 716 G HA2 -0.157 3.760 3.960 -0.072 0.000 0.213 716 G HA3 -0.157 3.842 3.960 0.019 -0.027 0.213 716 G C 0.602 175.501 174.900 -0.001 0.000 1.230 716 G CA 1.740 46.834 45.100 -0.010 0.000 0.813 716 G HN -0.091 8.036 8.290 0.099 0.222 0.542 717 H N -0.195 118.814 119.070 -0.101 0.000 2.521 717 H HA -0.229 4.278 4.556 -0.082 0.000 0.286 717 H C 1.476 176.751 175.328 -0.088 0.000 1.034 717 H CA 1.468 57.463 56.048 -0.087 0.000 1.278 717 H CB -0.343 29.373 29.762 -0.077 0.000 1.386 717 H HN -0.525 8.032 8.280 0.461 0.000 0.567 718 K N -0.535 119.425 120.400 -0.734 0.000 2.021 718 K HA -0.223 3.717 4.320 -0.634 0.000 0.205 718 K C 2.007 178.407 176.600 -0.334 0.000 1.047 718 K CA 2.582 58.514 56.287 -0.593 0.000 0.943 718 K CB -0.194 32.015 32.500 -0.484 0.000 0.725 718 K HN -0.476 7.411 8.250 -0.522 0.051 0.439 719 I N -0.037 120.314 120.570 -0.366 0.000 2.188 719 I HA -0.396 3.607 4.170 -0.278 0.000 0.237 719 I C 1.656 177.704 176.117 -0.115 0.000 1.073 719 I CA 3.375 64.470 61.300 -0.341 0.000 1.359 719 I CB 0.087 37.663 38.000 -0.707 0.000 1.083 719 I HN -0.595 7.385 8.210 -0.383 0.000 0.412 720 K N -0.545 119.780 120.400 -0.126 0.000 2.173 720 K HA -0.343 3.942 4.320 -0.057 0.000 0.207 720 K C 2.705 179.238 176.600 -0.111 0.000 1.046 720 K CA 3.657 59.893 56.287 -0.084 0.000 0.929 720 K CB -1.016 31.446 32.500 -0.064 0.000 0.720 720 K HN -0.363 7.786 8.250 -0.168 0.000 0.453 721 G N -2.775 105.957 108.800 -0.114 0.000 2.414 721 G HA2 -0.197 3.713 3.960 -0.084 0.000 0.215 721 G HA3 -0.197 3.819 3.960 -0.104 -0.118 0.215 721 G C 0.561 175.386 174.900 -0.124 0.000 1.188 721 G CA 1.447 46.484 45.100 -0.105 0.000 0.783 721 G HN -0.699 7.491 8.290 -0.134 0.020 0.537 722 A N 1.773 124.522 122.820 -0.119 0.000 1.859 722 A HA -0.320 3.957 4.320 -0.072 0.000 0.217 722 A C 2.306 179.734 177.584 -0.260 0.000 1.198 722 A CA 2.929 54.903 52.037 -0.104 0.000 0.629 722 A CB -0.752 18.253 19.000 0.009 0.000 0.830 722 A HN -0.559 7.520 8.150 -0.118 0.000 0.446 723 A N -1.683 120.818 122.820 -0.532 0.000 1.917 723 A HA -0.354 3.191 4.320 -1.292 0.000 0.219 723 A C 2.420 179.730 177.584 -0.457 0.000 1.182 723 A CA 2.882 54.323 52.037 -0.995 0.000 0.633 723 A CB -0.728 17.460 19.000 -1.352 0.000 0.819 723 A HN -0.211 7.719 8.150 -0.367 0.000 0.448 724 G N -3.202 105.424 108.800 -0.290 0.000 2.475 724 G HA2 -0.381 3.596 3.960 -0.183 0.000 0.220 724 G HA3 -0.381 3.489 3.960 -0.148 0.000 0.220 724 G C 1.739 176.527 174.900 -0.187 0.000 1.125 724 G CA 1.693 46.678 45.100 -0.193 0.000 0.755 724 G HN -0.054 8.002 8.290 -0.268 0.073 0.565 725 S N 1.210 116.817 115.700 -0.156 0.000 2.399 725 S HA -0.216 4.200 4.470 -0.091 0.000 0.231 725 S C 1.292 175.843 174.600 -0.083 0.000 1.022 725 S CA 2.070 60.223 58.200 -0.079 0.000 0.983 725 S CB 0.204 63.407 63.200 0.005 0.000 0.803 725 S HN -0.133 7.928 8.310 -0.168 0.148 0.480 726 V N -1.074 118.769 119.914 -0.119 0.000 3.630 726 V HA -0.095 4.052 4.120 0.045 0.000 0.273 726 V C 0.068 176.069 176.094 -0.155 0.000 1.248 726 V CA 0.161 62.416 62.300 -0.075 0.000 1.170 726 V CB -0.085 31.682 31.823 -0.094 0.000 0.899 726 V HN -0.477 7.470 8.190 -0.187 0.131 0.457 727 G N -2.225 106.437 108.800 -0.231 0.000 2.163 727 G HA2 -0.276 3.502 3.960 -0.303 0.000 0.213 727 G HA3 -0.276 3.533 3.960 -0.251 0.000 0.213 727 G C -1.334 173.460 174.900 -0.176 0.000 0.991 727 G CA -0.248 44.703 45.100 -0.249 0.000 0.653 727 G HN -0.251 7.671 8.290 -0.238 0.226 0.518 728 L N 1.358 122.481 121.223 -0.167 0.000 2.399 728 L HA 0.182 4.648 4.340 -0.056 -0.160 0.257 728 L C -0.169 176.647 176.870 -0.089 0.000 1.236 728 L CA -1.462 53.311 54.840 -0.111 0.000 1.144 728 L CB -1.126 40.825 42.059 -0.180 0.000 1.379 728 L HN -0.521 7.472 8.230 -0.203 0.115 0.414 729 R N 3.660 124.124 120.500 -0.059 0.000 2.153 729 R HA -0.215 4.093 4.340 -0.053 0.000 0.218 729 R C 1.309 177.640 176.300 0.051 0.000 1.072 729 R CA 2.369 58.451 56.100 -0.030 0.000 0.990 729 R CB -0.743 29.531 30.300 -0.043 0.000 0.889 729 R HN -0.203 7.990 8.270 -0.070 0.035 0.452 730 H N 2.170 121.228 119.070 -0.020 0.000 2.319 730 H HA -0.229 4.340 4.556 0.022 0.000 0.299 730 H C 1.482 176.856 175.328 0.076 0.000 1.092 730 H CA 2.864 58.925 56.048 0.023 0.000 1.302 730 H CB -0.241 29.523 29.762 0.003 0.000 1.373 730 H HN -0.358 8.119 8.280 0.140 -0.113 0.497 731 L N -1.796 119.258 121.223 -0.281 0.000 2.072 731 L HA -0.154 3.958 4.340 -0.380 0.000 0.205 731 L C 1.990 178.811 176.870 -0.083 0.000 1.079 731 L CA 2.650 57.334 54.840 -0.261 0.000 0.752 731 L CB -1.119 40.852 42.059 -0.145 0.000 0.906 731 L HN -0.437 7.714 8.230 -0.130 0.000 0.436 732 Q N -1.165 118.597 119.800 -0.064 0.000 2.197 732 Q HA -0.463 3.865 4.340 -0.051 -0.019 0.207 732 Q C 2.859 178.868 176.000 0.014 0.000 0.984 732 Q CA 3.689 59.469 55.803 -0.038 0.000 0.869 732 Q CB -0.282 28.425 28.738 -0.051 0.000 0.906 732 Q HN -0.499 7.725 8.270 -0.078 0.000 0.426 733 Q N -1.306 118.527 119.800 0.055 0.000 2.033 733 Q HA -0.205 4.373 4.340 0.092 -0.183 0.196 733 Q C 2.628 178.738 176.000 0.183 0.000 0.970 733 Q CA 2.650 58.524 55.803 0.117 0.000 0.828 733 Q CB 0.133 28.962 28.738 0.151 0.000 0.895 733 Q HN -0.437 7.838 8.270 0.048 0.024 0.440 734 L N -0.571 120.788 121.223 0.227 0.000 2.034 734 L HA -0.465 4.347 4.340 0.788 0.000 0.217 734 L C 2.380 179.318 176.870 0.113 0.000 1.077 734 L CA 3.642 58.708 54.840 0.376 0.000 0.769 734 L CB -0.483 41.741 42.059 0.275 0.000 0.890 734 L HN -0.474 7.858 8.230 0.169 0.000 0.435 735 G N -4.123 104.698 108.800 0.035 0.000 2.404 735 G HA2 -0.388 3.530 3.960 -0.070 0.000 0.215 735 G HA3 -0.388 3.567 3.960 -0.008 0.000 0.215 735 G C 0.920 175.805 174.900 -0.024 0.000 1.174 735 G CA 1.584 46.670 45.100 -0.023 0.000 0.780 735 G HN -0.281 8.035 8.290 0.040 -0.001 0.537 736 Q N 0.496 120.307 119.800 0.017 0.000 2.242 736 Q HA -0.481 3.857 4.340 -0.004 0.000 0.211 736 Q C 2.488 178.474 176.000 -0.023 0.000 0.992 736 Q CA 2.930 58.738 55.803 0.008 0.000 0.889 736 Q CB -0.093 28.669 28.738 0.040 0.000 0.913 736 Q HN -0.506 7.732 8.270 0.036 0.054 0.422 737 Q N -2.613 117.183 119.800 -0.006 0.000 2.259 737 Q HA -0.058 4.272 4.340 -0.017 0.000 0.201 737 Q C 2.384 178.212 176.000 -0.287 0.000 0.938 737 Q CA 2.215 57.986 55.803 -0.054 0.000 0.872 737 Q CB 0.513 29.389 28.738 0.228 0.000 0.971 737 Q HN -0.511 7.649 8.270 0.041 0.134 0.494 738 I N 0.424 120.804 120.570 -0.317 0.000 2.800 738 I HA -0.388 3.837 4.170 0.093 0.000 0.266 738 I C 0.932 176.861 176.117 -0.313 0.000 1.249 738 I CA 2.766 63.946 61.300 -0.199 0.000 1.458 738 I CB -0.344 37.566 38.000 -0.151 0.000 1.093 738 I HN -0.397 7.554 8.210 -0.271 0.096 0.466 739 Q N -0.253 119.369 119.800 -0.297 0.000 2.466 739 Q HA -0.121 4.038 4.340 -0.302 0.000 0.210 739 Q C -0.178 175.569 176.000 -0.421 0.000 0.961 739 Q CA 1.132 56.744 55.803 -0.319 0.000 0.953 739 Q CB 0.086 28.678 28.738 -0.243 0.000 1.011 739 Q HN -0.487 7.576 8.270 -0.232 0.067 0.516 740 S N -0.284 115.045 115.700 -0.618 0.000 2.384 740 S HA 0.472 4.666 4.470 -0.460 0.000 0.227 740 S C -1.444 172.491 174.600 -1.108 0.000 1.257 740 S CA -2.470 55.347 58.200 -0.639 0.000 1.249 740 S CB 0.167 63.112 63.200 -0.425 0.000 1.018 740 S HN -0.187 7.598 8.310 -0.707 0.101 0.478 741 P HA 0.118 2.545 4.420 -3.322 0.000 0.237 741 P C -1.786 175.152 177.300 -0.603 0.000 1.701 741 P CA 0.745 62.854 63.100 -1.653 0.000 0.955 741 P CB -1.640 29.418 31.700 -1.070 0.000 1.937 742 D N -0.792 119.349 120.400 -0.432 0.000 2.335 742 D HA 0.048 4.632 4.640 -0.093 0.000 0.284 742 D C 0.001 176.282 176.300 -0.031 0.000 1.096 742 D CA -0.187 53.720 54.000 -0.154 0.000 0.844 742 D CB 2.367 43.066 40.800 -0.168 0.000 1.454 742 D HN 0.286 8.212 8.370 -0.579 0.097 0.526 743 L N 1.117 122.334 121.223 -0.009 0.000 2.485 743 L HA 0.093 4.471 4.340 0.064 0.000 0.275 743 L C -0.199 176.780 176.870 0.182 0.000 1.207 743 L CA -0.231 54.676 54.840 0.110 0.000 0.855 743 L CB -0.682 41.491 42.059 0.191 0.000 1.114 743 L HN -0.718 7.431 8.230 -0.135 0.000 0.485 744 P HA -0.138 4.352 4.420 0.117 0.000 0.226 744 P C -0.537 176.851 177.300 0.146 0.000 1.153 744 P CA 1.828 65.001 63.100 0.121 0.000 0.777 744 P CB 0.166 31.914 31.700 0.080 0.000 0.794 745 A N -4.066 118.862 122.820 0.181 0.000 2.197 745 A HA 0.141 4.534 4.320 0.122 0.000 0.210 745 A C 1.022 178.757 177.584 0.252 0.000 1.180 745 A CA 0.381 52.521 52.037 0.172 0.000 0.846 745 A CB -0.052 19.037 19.000 0.148 0.000 0.884 745 A HN -0.004 8.214 8.150 0.192 0.047 0.487 746 W N 0.260 121.643 121.300 0.138 0.000 2.409 746 W HA -0.362 4.514 4.660 0.360 0.000 0.299 746 W C 0.993 177.594 176.519 0.135 0.000 1.203 746 W CA 3.714 61.176 57.345 0.196 0.000 1.298 746 W CB 0.536 30.058 29.460 0.104 0.000 1.127 746 W HN -0.872 7.458 8.180 0.450 0.120 0.528 747 E N -2.277 118.188 120.200 0.442 0.000 2.401 747 E HA -0.364 4.086 4.350 0.165 0.000 0.199 747 E C 0.797 177.400 176.600 0.004 0.000 1.023 747 E CA 2.747 59.277 56.400 0.217 0.000 0.859 747 E CB -0.395 29.469 29.700 0.273 0.000 0.780 747 E HN -0.750 7.926 8.360 0.527 0.000 0.523 748 D N -4.806 115.606 120.400 0.019 0.000 2.441 748 D HA 0.115 4.745 4.640 -0.017 0.000 0.210 748 D C 0.270 176.546 176.300 -0.040 0.000 1.102 748 D CA 0.286 54.282 54.000 -0.007 0.000 0.840 748 D CB 0.570 41.388 40.800 0.031 0.000 0.990 748 D HN -0.693 7.540 8.370 0.086 0.188 0.505 749 N N -0.609 118.053 118.700 -0.063 0.000 2.294 749 N HA 0.121 4.829 4.740 -0.054 0.000 0.186 749 N C 1.582 177.059 175.510 -0.055 0.000 1.107 749 N CA 0.700 53.723 53.050 -0.045 0.000 0.884 749 N CB 1.361 39.868 38.487 0.033 0.000 1.030 749 N HN -0.397 7.787 8.380 -0.076 0.150 0.482 750 V N 0.987 120.716 119.914 -0.309 0.000 2.250 750 V HA -0.529 3.381 4.120 -0.349 0.000 0.250 750 V C 1.372 177.405 176.094 -0.101 0.000 1.060 750 V CA 5.580 67.631 62.300 -0.415 0.000 1.030 750 V CB -0.284 31.009 31.823 -0.884 0.000 0.643 750 V HN 0.360 8.273 8.190 -0.462 0.000 0.445 751 G N -3.556 105.181 108.800 -0.105 0.000 2.556 751 G HA2 -0.468 3.475 3.960 -0.029 0.000 0.220 751 G HA3 -0.468 3.470 3.960 -0.037 0.000 0.220 751 G C 1.338 176.240 174.900 0.005 0.000 1.156 751 G CA 2.499 47.577 45.100 -0.036 0.000 0.766 751 G HN 0.447 8.648 8.290 -0.147 0.000 0.583 752 E N 1.140 121.334 120.200 -0.009 0.000 2.208 752 E HA -0.144 4.199 4.350 -0.011 0.000 0.193 752 E C 2.129 178.741 176.600 0.019 0.000 0.988 752 E CA 2.305 58.693 56.400 -0.021 0.000 0.828 752 E CB -0.148 29.502 29.700 -0.083 0.000 0.763 752 E HN -0.401 7.867 8.360 -0.032 0.072 0.478 753 W N 1.293 122.538 121.300 -0.091 0.000 2.380 753 W HA -0.201 4.456 4.660 -0.006 0.000 0.317 753 W C 2.207 178.722 176.519 -0.007 0.000 1.196 753 W CA 4.210 61.525 57.345 -0.050 0.000 1.307 753 W CB -0.002 29.382 29.460 -0.126 0.000 1.157 753 W HN 0.030 8.152 8.180 0.175 0.163 0.483 754 I N -1.886 118.833 120.570 0.248 0.000 2.208 754 I HA -0.630 3.640 4.170 0.167 0.000 0.245 754 I C 2.114 178.318 176.117 0.144 0.000 1.097 754 I CA 4.532 65.926 61.300 0.157 0.000 1.363 754 I CB -0.288 37.762 38.000 0.082 0.000 1.051 754 I HN 0.114 8.445 8.210 0.203 0.000 0.413 755 E N -1.073 119.194 120.200 0.111 0.000 2.038 755 E HA -0.514 3.891 4.350 0.092 0.000 0.195 755 E C 2.198 178.869 176.600 0.118 0.000 1.000 755 E CA 3.675 60.131 56.400 0.094 0.000 0.803 755 E CB -0.317 29.416 29.700 0.055 0.000 0.750 755 E HN -0.526 7.891 8.360 0.095 0.000 0.448 756 E N -0.889 119.377 120.200 0.111 0.000 2.077 756 E HA -0.330 4.081 4.350 0.101 0.000 0.193 756 E C 1.946 178.685 176.600 0.232 0.000 0.989 756 E CA 2.618 59.094 56.400 0.128 0.000 0.800 756 E CB -0.041 29.699 29.700 0.067 0.000 0.746 756 E HN -0.584 7.829 8.360 0.089 0.000 0.452 757 M N -1.075 118.684 119.600 0.265 0.000 2.073 757 M HA -0.431 4.244 4.480 0.324 0.000 0.258 757 M C 1.591 178.127 176.300 0.394 0.000 1.070 757 M CA 3.523 59.007 55.300 0.305 0.000 1.103 757 M CB 0.167 32.910 32.600 0.240 0.000 1.321 757 M HN -0.153 8.285 8.290 0.246 0.000 0.405 758 K N -1.177 119.425 120.400 0.336 0.000 1.985 758 K HA -0.272 4.448 4.320 0.668 0.000 0.210 758 K C 2.577 179.394 176.600 0.361 0.000 1.047 758 K CA 3.115 59.667 56.287 0.442 0.000 0.932 758 K CB 0.185 32.839 32.500 0.255 0.000 0.716 758 K HN -0.480 7.919 8.250 0.248 0.000 0.439 759 E N -2.421 117.903 120.200 0.207 0.000 2.594 759 E HA -0.106 4.277 4.350 0.055 0.000 0.300 759 E C -0.733 175.931 176.600 0.107 0.000 1.568 759 E CA 0.743 57.205 56.400 0.104 0.000 1.811 759 E CB -1.003 28.743 29.700 0.077 0.000 1.458 759 E HN -0.526 7.949 8.360 0.192 0.000 0.470 760 E N -0.639 119.644 120.200 0.138 0.000 1.845 760 E HA 0.033 4.468 4.350 0.142 0.000 0.211 760 E C 0.245 177.021 176.600 0.293 0.000 1.033 760 E CA 1.384 57.913 56.400 0.215 0.000 1.310 760 E CB 0.888 30.785 29.700 0.328 0.000 4.050 760 E HN 0.053 8.398 8.360 0.118 0.086 0.920 761 W N 0.645 122.130 121.300 0.309 0.000 2.335 761 W HA -0.215 4.586 4.660 0.235 0.000 0.311 761 W C 0.916 177.565 176.519 0.216 0.000 1.213 761 W CA 3.632 61.109 57.345 0.219 0.000 1.274 761 W CB -0.535 29.002 29.460 0.129 0.000 1.148 761 W HN 0.216 8.695 8.180 0.498 0.000 0.498 762 R N 0.023 119.508 120.500 -1.691 0.000 2.094 762 R HA -0.595 2.335 4.340 -2.350 0.000 0.239 762 R C 1.424 177.457 176.300 -0.445 0.000 1.137 762 R CA 4.122 59.220 56.100 -1.669 0.000 0.943 762 R CB -0.545 28.897 30.300 -1.430 0.000 0.850 762 R HN -0.274 6.564 8.270 -2.388 0.000 0.433 763 H N -0.858 118.010 119.070 -0.338 0.000 2.289 763 H HA -0.349 4.126 4.556 -0.135 0.000 0.294 763 H C 1.817 177.121 175.328 -0.041 0.000 1.095 763 H CA 2.432 58.397 56.048 -0.139 0.000 1.256 763 H CB -0.728 28.974 29.762 -0.100 0.000 1.359 763 H HN -0.289 7.871 8.280 -0.200 0.000 0.487 764 D N -2.166 118.084 120.400 -0.250 0.000 2.158 764 D HA -0.346 4.022 4.640 -0.452 0.000 0.197 764 D C 2.235 178.524 176.300 -0.017 0.000 0.995 764 D CA 3.352 57.227 54.000 -0.208 0.000 0.846 764 D CB -0.420 40.426 40.800 0.077 0.000 0.941 764 D HN -0.513 7.799 8.370 -0.098 0.000 0.456 765 V N -0.254 119.707 119.914 0.079 0.000 2.221 765 V HA -0.572 3.624 4.120 0.126 0.000 0.242 765 V C 1.880 178.033 176.094 0.099 0.000 1.041 765 V CA 4.322 66.703 62.300 0.136 0.000 0.995 765 V CB -0.198 31.792 31.823 0.278 0.000 0.635 765 V HN -0.629 7.504 8.190 0.079 0.105 0.448 766 E N -0.767 119.481 120.200 0.079 0.000 2.253 766 E HA -0.420 3.983 4.350 0.089 0.000 0.202 766 E C 2.558 179.227 176.600 0.115 0.000 1.014 766 E CA 3.481 59.934 56.400 0.088 0.000 0.823 766 E CB -0.352 29.385 29.700 0.062 0.000 0.736 766 E HN -0.448 7.931 8.360 0.033 0.000 0.478 767 V N -0.760 119.229 119.914 0.126 0.000 2.239 767 V HA -0.431 3.785 4.120 0.161 0.000 0.242 767 V C 1.482 177.660 176.094 0.140 0.000 1.038 767 V CA 5.172 67.554 62.300 0.138 0.000 1.002 767 V CB 0.003 31.880 31.823 0.090 0.000 0.641 767 V HN -0.349 7.771 8.190 0.109 0.136 0.449 768 L N -2.515 118.756 121.223 0.081 0.000 2.129 768 L HA -0.397 3.966 4.340 0.038 0.000 0.212 768 L C 1.586 178.553 176.870 0.162 0.000 1.087 768 L CA 3.807 58.685 54.840 0.064 0.000 0.757 768 L CB -1.079 40.964 42.059 -0.027 0.000 0.896 768 L HN -0.506 7.749 8.230 0.041 0.000 0.434 769 K N -0.518 119.969 120.400 0.144 0.000 1.985 769 K HA -0.490 3.920 4.320 0.150 0.000 0.210 769 K C 1.839 178.544 176.600 0.176 0.000 1.047 769 K CA 3.516 59.894 56.287 0.151 0.000 0.932 769 K CB -0.020 32.552 32.500 0.121 0.000 0.716 769 K HN -0.137 8.160 8.250 0.121 0.025 0.439 770 A N -1.264 121.649 122.820 0.156 0.000 1.917 770 A HA -0.311 4.063 4.320 0.091 0.000 0.219 770 A C 1.819 179.499 177.584 0.161 0.000 1.182 770 A CA 2.910 55.024 52.037 0.127 0.000 0.633 770 A CB -1.055 18.009 19.000 0.107 0.000 0.819 770 A HN -0.550 7.685 8.150 0.142 0.000 0.448 771 W N -1.151 120.164 121.300 0.026 0.000 2.315 771 W HA -0.520 4.151 4.660 0.018 0.000 0.323 771 W C 1.638 178.171 176.519 0.022 0.000 1.233 771 W CA 4.184 61.541 57.345 0.020 0.000 1.267 771 W CB 0.109 29.578 29.460 0.016 0.000 1.160 771 W HN -0.319 8.075 8.180 0.365 0.006 0.474 772 V N -0.700 119.579 119.914 0.608 0.000 2.282 772 V HA -0.712 3.796 4.120 0.646 0.000 0.249 772 V C 1.993 178.163 176.094 0.128 0.000 1.057 772 V CA 4.315 66.877 62.300 0.436 0.000 1.032 772 V CB -0.130 31.889 31.823 0.328 0.000 0.645 772 V HN -0.480 8.063 8.190 0.588 0.000 0.447 773 A N -5.155 117.721 122.820 0.093 0.000 2.239 773 A HA -0.171 4.167 4.320 0.030 0.000 0.209 773 A C -0.036 177.521 177.584 -0.046 0.000 1.171 773 A CA 2.061 54.113 52.037 0.026 0.000 0.768 773 A CB -0.297 18.728 19.000 0.042 0.000 0.790 773 A HN -0.466 7.766 8.150 0.137 0.000 0.478 774 K N -1.985 118.340 120.400 -0.126 0.000 2.344 774 K HA 0.090 4.325 4.320 -0.142 0.000 0.200 774 K C 1.515 177.905 176.600 -0.351 0.000 1.132 774 K CA 0.977 57.136 56.287 -0.212 0.000 0.935 774 K CB 1.287 33.649 32.500 -0.230 0.000 1.089 774 K HN -0.114 7.832 8.250 -0.121 0.231 0.496 775 A N -0.945 121.499 122.820 -0.626 0.000 2.172 775 A HA -0.083 3.835 4.320 -0.670 0.000 0.216 775 A C 0.787 178.177 177.584 -0.323 0.000 1.154 775 A CA 1.883 53.464 52.037 -0.759 0.000 0.701 775 A CB -0.744 17.157 19.000 -1.832 0.000 0.789 775 A HN 0.544 8.149 8.150 -0.698 0.126 0.465 776 T N -1.524 112.918 114.554 -0.186 0.000 2.685 776 T HA -0.385 3.951 4.350 -0.023 0.000 0.268 776 T C 0.975 175.634 174.700 -0.068 0.000 1.034 776 T CA 2.425 64.483 62.100 -0.070 0.000 1.149 776 T CB 0.178 69.022 68.868 -0.040 0.000 0.860 776 T HN -0.385 7.677 8.240 -0.194 0.062 0.449 777 K N -1.536 118.808 120.400 -0.094 0.000 2.359 777 K HA 0.186 4.477 4.320 -0.047 0.000 0.261 777 K C -1.632 174.916 176.600 -0.087 0.000 1.050 777 K CA -0.838 55.407 56.287 -0.070 0.000 1.053 777 K CB 1.865 34.330 32.500 -0.059 0.000 1.492 777 K HN -0.550 7.618 8.250 -0.124 0.008 0.640 778 K N 0.000 120.360 120.400 -0.066 0.000 2.780 778 K HA 0.000 4.268 4.320 -0.086 0.000 0.191 778 K CA 0.000 56.249 56.287 -0.064 0.000 0.838 778 K CB 0.000 32.472 32.500 -0.046 0.000 1.064 778 K HN 0.000 8.218 8.250 -0.053 0.000 0.543