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 2cbz_1_A DATA FIRST_RESID 642 DATA SEQUENCE NSITVRNATF TWARSDPPTL NGITFSIPEG ALVAVVGQVG CGKSSLLSAL DATA SEQUENCE LAEMDKVEGH VAIKGSVAYV PQQAWIQNDS LRENILFGCQ LEEPYYRSVI DATA SEQUENCE QACALLPDLE ILPSGDRTEI GEKGVNLSGG QKQRVSLARA VYSNADIYLF DATA SEQUENCE DDPLSAVDAH VGKHIFENVI GPKGMLKNKT RILVTHSMSY LPQVDVIIVM DATA SEQUENCE SGGKISEMGS YQELLARDGA FAEFLRTYAS H 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 642 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 642 N C 0.000 175.521 175.510 0.018 0.000 1.280 642 N CA 0.000 53.064 53.050 0.023 0.000 0.885 642 N CB 0.000 38.500 38.487 0.022 0.000 1.341 643 S N 0.128 115.842 115.700 0.024 0.000 2.446 643 S HA 0.255 4.725 4.470 0.001 0.000 0.225 643 S C 0.733 175.336 174.600 0.005 0.000 1.016 643 S CA 0.471 58.681 58.200 0.016 0.000 0.943 643 S CB 0.302 63.518 63.200 0.026 0.000 0.786 643 S HN 0.554 8.864 8.310 -0.000 0.000 0.508 644 I N 1.553 122.130 120.570 0.012 0.000 2.499 644 I HA 0.372 4.542 4.170 0.001 0.000 0.288 644 I C -1.217 174.852 176.117 -0.080 0.000 1.048 644 I CA -0.379 60.905 61.300 -0.027 0.000 1.062 644 I CB 2.503 40.522 38.000 0.032 0.000 1.238 644 I HN -0.087 8.123 8.210 -0.000 0.000 0.426 645 T N 5.340 119.817 114.554 -0.128 0.000 2.890 645 T HA 0.539 4.889 4.350 0.001 0.000 0.295 645 T C -0.548 174.027 174.700 -0.208 0.000 0.993 645 T CA -0.517 61.502 62.100 -0.134 0.000 0.979 645 T CB 1.793 70.666 68.868 0.008 0.000 0.967 645 T HN 0.160 8.400 8.240 -0.000 0.000 0.441 646 V N 4.275 123.965 119.914 -0.374 0.000 2.487 646 V HA 0.586 4.706 4.120 0.001 0.000 0.298 646 V C -0.124 175.880 176.094 -0.150 0.000 1.028 646 V CA -0.903 61.203 62.300 -0.324 0.000 0.860 646 V CB 1.884 33.338 31.823 -0.616 0.000 0.991 646 V HN 0.707 8.897 8.190 -0.000 0.000 0.427 647 R N 3.480 123.973 120.500 -0.013 0.000 2.451 647 R HA 0.368 4.708 4.340 0.001 0.000 0.307 647 R C -0.009 176.292 176.300 0.001 0.000 0.965 647 R CA -0.801 55.307 56.100 0.013 0.000 0.865 647 R CB 1.059 31.382 30.300 0.038 0.000 1.174 647 R HN 0.794 9.064 8.270 -0.000 0.000 0.455 648 N N 1.470 120.169 118.700 -0.001 0.000 2.699 648 N HA -0.235 4.505 4.740 0.001 0.000 0.256 648 N C -1.493 173.980 175.510 -0.062 0.000 0.993 648 N CA 0.919 53.961 53.050 -0.015 0.000 0.759 648 N CB -0.250 38.225 38.487 -0.020 0.000 0.906 648 N HN 0.715 9.095 8.380 -0.000 0.000 0.541 649 A N 0.333 123.112 122.820 -0.068 0.000 2.305 649 A HA 0.681 5.001 4.320 0.001 0.000 0.322 649 A C 0.224 177.625 177.584 -0.305 0.000 1.187 649 A CA -0.129 51.760 52.037 -0.246 0.000 0.825 649 A CB 1.047 19.921 19.000 -0.211 0.000 1.164 649 A HN 0.295 8.445 8.150 -0.000 0.000 0.498 650 T N 2.318 116.555 114.554 -0.528 0.000 2.824 650 T HA 0.653 5.004 4.350 0.001 0.000 0.282 650 T C -1.131 173.205 174.700 -0.607 0.000 0.993 650 T CA 0.121 62.006 62.100 -0.358 0.000 0.967 650 T CB 0.301 69.057 68.868 -0.186 0.000 0.960 650 T HN 0.377 8.617 8.240 -0.000 0.000 0.441 651 F N 0.897 120.789 119.950 -0.097 0.000 2.565 651 F HA 0.688 5.215 4.527 0.001 0.000 0.313 651 F C 0.537 176.219 175.800 -0.196 0.000 1.091 651 F CA -0.842 57.056 58.000 -0.169 0.000 0.915 651 F CB 2.491 41.351 39.000 -0.233 0.000 1.208 651 F HN 0.375 8.675 8.300 -0.000 0.000 0.453 652 T N 0.539 115.068 114.554 -0.042 0.000 2.906 652 T HA 0.289 4.640 4.350 0.001 0.000 0.295 652 T C -0.481 174.124 174.700 -0.158 0.000 1.061 652 T CA -0.332 61.724 62.100 -0.072 0.000 1.000 652 T CB 0.855 69.725 68.868 0.004 0.000 1.103 652 T HN 0.652 8.892 8.240 -0.000 0.000 0.486 653 W N 2.561 123.898 121.300 0.062 0.000 2.942 653 W HA 0.588 5.249 4.660 0.001 0.000 0.263 653 W C 0.875 177.414 176.519 0.032 0.000 1.296 653 W CA -0.347 57.023 57.345 0.042 0.000 1.504 653 W CB 0.644 30.125 29.460 0.034 0.000 1.096 653 W HN 0.766 8.946 8.180 -0.000 0.000 0.639 654 A N 0.174 123.127 122.820 0.221 0.000 2.500 654 A HA 0.397 4.717 4.320 0.001 0.000 0.288 654 A C 0.616 178.253 177.584 0.088 0.000 1.045 654 A CA -0.710 51.412 52.037 0.140 0.000 0.830 654 A CB 0.921 20.001 19.000 0.134 0.000 1.337 654 A HN -0.004 8.146 8.150 -0.000 0.000 0.400 655 R N 1.394 121.930 120.500 0.060 0.000 2.237 655 R HA -0.108 4.232 4.340 0.001 0.000 0.219 655 R C 2.015 178.335 176.300 0.034 0.000 1.080 655 R CA 1.620 57.742 56.100 0.037 0.000 0.995 655 R CB -0.310 30.004 30.300 0.024 0.000 0.875 655 R HN 0.910 9.180 8.270 -0.000 0.000 0.462 656 S N -0.338 115.386 115.700 0.041 0.000 2.474 656 S HA -0.064 4.406 4.470 0.001 0.000 0.235 656 S C 0.115 174.737 174.600 0.036 0.000 0.997 656 S CA 0.539 58.760 58.200 0.035 0.000 0.949 656 S CB 0.094 63.315 63.200 0.035 0.000 0.766 656 S HN 0.192 8.502 8.310 -0.000 0.000 0.517 657 D N 0.975 121.404 120.400 0.047 0.000 2.493 657 D HA 0.573 5.213 4.640 0.001 0.000 0.239 657 D C -2.987 173.342 176.300 0.050 0.000 1.049 657 D CA -1.858 52.171 54.000 0.049 0.000 1.008 657 D CB 0.922 41.758 40.800 0.060 0.000 1.398 657 D HN -0.033 8.337 8.370 -0.000 0.000 0.513 658 P HA 0.144 4.564 4.420 -0.000 0.000 0.267 658 P C -2.480 174.855 177.300 0.057 0.000 1.200 658 P CA -0.717 62.408 63.100 0.043 0.000 0.772 658 P CB -0.271 31.454 31.700 0.041 0.000 0.855 659 P HA 0.017 4.437 4.420 -0.000 0.000 0.267 659 P C 0.764 178.110 177.300 0.076 0.000 1.200 659 P CA 0.311 63.440 63.100 0.047 0.000 0.772 659 P CB 0.246 31.956 31.700 0.017 0.000 0.855 660 T N 0.832 115.444 114.554 0.096 0.000 2.896 660 T HA 0.081 4.431 4.350 0.001 0.000 0.263 660 T C 0.678 175.445 174.700 0.111 0.000 1.050 660 T CA 0.936 63.117 62.100 0.135 0.000 1.140 660 T CB -0.204 68.801 68.868 0.228 0.000 0.877 660 T HN 0.223 8.463 8.240 -0.000 0.000 0.457 661 L N 2.004 123.293 121.223 0.109 0.000 2.362 661 L HA 0.512 4.853 4.340 0.001 0.000 0.275 661 L C -0.623 176.319 176.870 0.120 0.000 0.998 661 L CA -0.825 54.101 54.840 0.143 0.000 0.820 661 L CB 1.586 43.782 42.059 0.229 0.000 1.270 661 L HN 0.000 8.230 8.230 -0.000 0.000 0.415 662 N N 1.954 120.710 118.700 0.094 0.000 2.346 662 N HA 0.301 5.041 4.740 0.001 0.000 0.289 662 N C 0.426 175.968 175.510 0.054 0.000 1.027 662 N CA 0.002 53.082 53.050 0.050 0.000 0.864 662 N CB 2.439 40.950 38.487 0.039 0.000 1.370 662 N HN 0.871 9.251 8.380 -0.000 0.000 0.481 663 G N 2.149 110.963 108.800 0.022 0.000 2.305 663 G HA2 -0.240 3.721 3.960 0.001 0.000 0.287 663 G HA3 -0.240 3.721 3.960 0.001 0.000 0.287 663 G C 0.172 175.113 174.900 0.069 0.000 1.036 663 G CA -0.216 44.899 45.100 0.026 0.000 0.887 663 G HN 0.535 8.825 8.290 -0.000 0.000 0.505 664 I N 1.005 121.642 120.570 0.112 0.000 2.533 664 I HA 0.257 4.427 4.170 0.001 0.000 0.284 664 I C 0.640 176.853 176.117 0.161 0.000 1.109 664 I CA 0.730 62.149 61.300 0.198 0.000 1.412 664 I CB 0.424 38.617 38.000 0.321 0.000 1.396 664 I HN 0.069 8.279 8.210 -0.000 0.000 0.543 665 T N 8.310 122.983 114.554 0.198 0.000 2.949 665 T HA 0.671 5.021 4.350 0.001 0.000 0.300 665 T C -0.609 174.245 174.700 0.256 0.000 0.988 665 T CA -0.440 61.736 62.100 0.127 0.000 0.993 665 T CB 1.029 69.943 68.868 0.077 0.000 0.984 665 T HN 0.437 8.677 8.240 -0.000 0.000 0.442 666 F N -0.450 119.526 119.950 0.043 0.000 2.744 666 F HA 0.820 5.347 4.527 0.000 0.000 0.311 666 F C -1.216 174.605 175.800 0.036 0.000 1.144 666 F CA -0.998 57.022 58.000 0.032 0.000 0.938 666 F CB 0.945 39.960 39.000 0.026 0.000 1.292 666 F HN 0.328 8.628 8.300 -0.000 0.000 0.444 667 S N 2.307 118.112 115.700 0.174 0.000 2.536 667 S HA 0.781 5.251 4.470 0.001 0.000 0.287 667 S C -1.370 173.351 174.600 0.200 0.000 1.101 667 S CA -0.655 57.594 58.200 0.082 0.000 0.950 667 S CB 1.808 65.031 63.200 0.038 0.000 1.056 667 S HN 0.549 8.859 8.310 -0.000 0.000 0.481 668 I N 3.259 123.927 120.570 0.163 0.000 2.382 668 I HA 0.380 4.551 4.170 0.001 0.000 0.286 668 I C -2.670 173.500 176.117 0.088 0.000 1.002 668 I CA -2.851 58.543 61.300 0.156 0.000 1.135 668 I CB 1.032 39.146 38.000 0.190 0.000 1.288 668 I HN 0.237 8.447 8.210 -0.000 0.000 0.448 669 P HA 0.028 4.448 4.420 -0.000 0.000 0.268 669 P C 0.066 177.394 177.300 0.047 0.000 1.205 669 P CA -0.100 63.029 63.100 0.049 0.000 0.771 669 P CB 0.604 32.329 31.700 0.042 0.000 0.858 670 E N 2.277 122.498 120.200 0.036 0.000 2.558 670 E HA 0.084 4.435 4.350 0.001 0.000 0.255 670 E C 1.084 177.704 176.600 0.034 0.000 0.968 670 E CA 1.000 57.420 56.400 0.033 0.000 0.939 670 E CB -0.595 29.119 29.700 0.023 0.000 0.921 670 E HN 0.781 9.141 8.360 -0.000 0.000 0.477 671 G N 2.425 111.249 108.800 0.040 0.000 2.176 671 G HA2 -0.302 3.658 3.960 0.001 0.000 0.253 671 G HA3 -0.302 3.658 3.960 0.001 0.000 0.253 671 G C 0.250 175.171 174.900 0.037 0.000 0.979 671 G CA 0.076 45.197 45.100 0.035 0.000 0.641 671 G HN 0.861 9.151 8.290 -0.000 0.000 0.530 672 A N -0.390 122.459 122.820 0.047 0.000 2.351 672 A HA 0.743 5.064 4.320 0.001 0.000 0.257 672 A C 0.084 177.703 177.584 0.058 0.000 1.087 672 A CA 0.173 52.239 52.037 0.048 0.000 0.798 672 A CB 0.956 19.988 19.000 0.053 0.000 1.033 672 A HN 1.473 9.623 8.150 -0.000 0.000 0.488 673 L N 2.837 124.091 121.223 0.052 0.000 2.276 673 L HA 0.615 4.956 4.340 0.001 0.000 0.286 673 L C -0.946 175.964 176.870 0.066 0.000 1.024 673 L CA -0.055 54.824 54.840 0.066 0.000 0.826 673 L CB 1.189 43.277 42.059 0.049 0.000 1.211 673 L HN 0.338 8.568 8.230 -0.000 0.000 0.422 674 V N 5.193 125.150 119.914 0.072 0.000 2.483 674 V HA 0.802 4.923 4.120 0.001 0.000 0.297 674 V C 0.281 176.395 176.094 0.034 0.000 1.027 674 V CA -0.475 61.846 62.300 0.035 0.000 0.855 674 V CB 1.411 33.242 31.823 0.014 0.000 0.995 674 V HN 0.951 9.141 8.190 -0.000 0.000 0.424 675 A N 4.574 127.401 122.820 0.011 0.000 2.293 675 A HA 0.851 5.172 4.320 0.001 0.000 0.302 675 A C -0.580 176.971 177.584 -0.055 0.000 1.119 675 A CA -0.457 51.587 52.037 0.011 0.000 0.823 675 A CB 1.229 20.247 19.000 0.030 0.000 1.097 675 A HN 0.729 8.879 8.150 -0.000 0.000 0.491 676 V N 2.428 122.314 119.914 -0.046 0.000 2.483 676 V HA 0.575 4.695 4.120 0.001 0.000 0.297 676 V C -0.214 175.823 176.094 -0.094 0.000 1.027 676 V CA -0.294 61.951 62.300 -0.092 0.000 0.855 676 V CB 1.141 32.916 31.823 -0.079 0.000 0.995 676 V HN 1.158 9.348 8.190 -0.000 0.000 0.424 677 V N 1.810 121.613 119.914 -0.185 0.000 3.130 677 V HA 1.165 5.285 4.120 0.001 0.000 0.310 677 V C -0.106 175.787 176.094 -0.335 0.000 1.158 677 V CA -0.120 61.962 62.300 -0.363 0.000 1.029 677 V CB 1.794 33.130 31.823 -0.813 0.000 1.057 677 V HN 1.471 9.661 8.190 -0.000 0.000 0.436 678 G N 0.702 109.324 108.800 -0.298 0.000 2.328 678 G HA2 0.350 4.311 3.960 0.001 0.000 0.299 678 G HA3 0.350 4.311 3.960 0.001 0.000 0.299 678 G C -1.250 173.744 174.900 0.158 0.000 1.435 678 G CA -0.341 44.757 45.100 -0.003 0.000 0.865 678 G HN 1.208 9.498 8.290 -0.000 0.000 0.601 679 Q N -0.116 119.672 119.800 -0.020 0.000 2.369 679 Q HA 0.272 4.612 4.340 0.001 0.000 0.295 679 Q C 0.781 176.721 176.000 -0.100 0.000 1.075 679 Q CA -0.224 55.385 55.803 -0.322 0.000 0.941 679 Q CB 0.605 28.821 28.738 -0.870 0.000 1.260 679 Q HN 0.596 8.866 8.270 -0.000 0.000 0.417 680 V N 4.005 123.885 119.914 -0.057 0.000 2.678 680 V HA -0.036 4.085 4.120 0.001 0.000 0.304 680 V C 1.421 177.499 176.094 -0.027 0.000 1.086 680 V CA 2.023 64.317 62.300 -0.009 0.000 1.246 680 V CB -0.085 31.733 31.823 -0.009 0.000 0.861 680 V HN 1.133 9.323 8.190 -0.000 0.000 0.491 681 G N 3.295 112.100 108.800 0.008 0.000 2.157 681 G HA2 -0.301 3.660 3.960 0.001 0.000 0.248 681 G HA3 -0.301 3.660 3.960 0.001 0.000 0.248 681 G C 0.788 175.701 174.900 0.022 0.000 0.979 681 G CA 0.517 45.626 45.100 0.015 0.000 0.650 681 G HN 1.440 9.730 8.290 -0.000 0.000 0.529 682 C N -0.513 118.795 119.300 0.014 0.000 2.522 682 C HA 0.584 5.044 4.460 0.001 0.000 0.271 682 C C 2.180 177.199 174.990 0.048 0.000 1.425 682 C CA 0.729 59.758 59.018 0.018 0.000 1.751 682 C CB -0.834 26.904 27.740 -0.002 0.000 1.775 682 C HN 2.356 10.586 8.230 -0.000 0.000 0.557 683 G N 0.690 109.531 108.800 0.069 0.000 2.143 683 G HA2 -0.181 3.779 3.960 0.001 0.000 0.175 683 G HA3 -0.181 3.779 3.960 0.001 0.000 0.175 683 G C 0.697 175.649 174.900 0.086 0.000 1.004 683 G CA 0.249 45.408 45.100 0.098 0.000 0.671 683 G HN 0.551 8.841 8.290 -0.000 0.000 0.512 684 K N 0.573 121.017 120.400 0.073 0.000 2.002 684 K HA -0.022 4.298 4.320 0.001 0.000 0.209 684 K C 2.594 179.251 176.600 0.095 0.000 1.048 684 K CA 1.714 58.040 56.287 0.065 0.000 0.930 684 K CB -0.270 32.270 32.500 0.066 0.000 0.714 684 K HN 0.271 8.521 8.250 -0.000 0.000 0.438 685 S N 0.900 116.679 115.700 0.132 0.000 2.382 685 S HA -0.103 4.368 4.470 0.001 0.000 0.228 685 S C 2.109 176.826 174.600 0.195 0.000 1.027 685 S CA 1.281 59.586 58.200 0.175 0.000 0.991 685 S CB -0.156 63.151 63.200 0.178 0.000 0.823 685 S HN 0.216 8.526 8.310 -0.000 0.000 0.469 686 S N 1.595 117.428 115.700 0.221 0.000 2.382 686 S HA -0.041 4.430 4.470 0.001 0.000 0.228 686 S C 1.785 176.380 174.600 -0.008 0.000 1.027 686 S CA 0.806 59.151 58.200 0.242 0.000 0.991 686 S CB -0.421 62.970 63.200 0.318 0.000 0.823 686 S HN 0.351 8.661 8.310 -0.000 0.000 0.469 687 L N 2.076 123.294 121.223 -0.008 0.000 2.012 687 L HA -0.056 4.285 4.340 0.001 0.000 0.210 687 L C 1.917 178.720 176.870 -0.111 0.000 1.073 687 L CA 1.664 56.457 54.840 -0.078 0.000 0.748 687 L CB -0.650 41.399 42.059 -0.018 0.000 0.891 687 L HN 0.293 8.523 8.230 -0.000 0.000 0.431 688 L N -1.430 119.770 121.223 -0.037 0.000 2.046 688 L HA -0.189 4.151 4.340 0.001 0.000 0.208 688 L C 2.473 179.223 176.870 -0.200 0.000 1.077 688 L CA 1.353 56.147 54.840 -0.076 0.000 0.747 688 L CB -0.943 41.141 42.059 0.042 0.000 0.896 688 L HN 0.225 8.455 8.230 -0.000 0.000 0.432 689 S N 0.294 115.919 115.700 -0.126 0.000 2.370 689 S HA -0.209 4.261 4.470 0.001 0.000 0.226 689 S C 2.241 176.650 174.600 -0.319 0.000 1.033 689 S CA 1.317 59.426 58.200 -0.151 0.000 1.011 689 S CB -0.361 62.911 63.200 0.120 0.000 0.852 689 S HN 0.511 8.821 8.310 -0.000 0.000 0.457 690 A N 1.530 124.061 122.820 -0.480 0.000 1.902 690 A HA -0.022 4.298 4.320 0.001 0.000 0.217 690 A C 2.100 179.357 177.584 -0.546 0.000 1.181 690 A CA 1.226 52.765 52.037 -0.829 0.000 0.623 690 A CB -0.758 17.315 19.000 -1.544 0.000 0.818 690 A HN 0.468 8.618 8.150 -0.000 0.000 0.443 691 L N -0.831 120.171 121.223 -0.368 0.000 2.201 691 L HA -0.095 4.246 4.340 0.001 0.000 0.212 691 L C 1.944 178.690 176.870 -0.206 0.000 1.105 691 L CA 0.650 55.357 54.840 -0.221 0.000 0.775 691 L CB -0.396 41.586 42.059 -0.128 0.000 0.913 691 L HN 0.335 8.565 8.230 -0.000 0.000 0.440 692 L N -0.074 120.999 121.223 -0.251 0.000 2.599 692 L HA 0.130 4.470 4.340 0.001 0.000 0.230 692 L C 1.347 178.119 176.870 -0.163 0.000 1.141 692 L CA 0.267 54.969 54.840 -0.230 0.000 0.877 692 L CB -0.329 41.533 42.059 -0.328 0.000 1.009 692 L HN 0.337 8.567 8.230 -0.000 0.000 0.447 693 A N 0.117 122.838 122.820 -0.164 0.000 2.872 693 A HA -0.250 4.071 4.320 0.001 0.000 0.273 693 A C 1.124 178.653 177.584 -0.093 0.000 1.442 693 A CA 1.234 53.206 52.037 -0.107 0.000 0.801 693 A CB -1.920 17.039 19.000 -0.068 0.000 1.031 693 A HN 0.605 8.755 8.150 -0.000 0.000 0.582 694 E N -1.233 118.888 120.200 -0.132 0.000 2.481 694 E HA 0.303 4.653 4.350 0.001 0.000 0.198 694 E C 0.896 177.424 176.600 -0.121 0.000 1.027 694 E CA 0.153 56.516 56.400 -0.062 0.000 0.900 694 E CB 0.191 29.893 29.700 0.004 0.000 0.993 694 E HN 0.867 9.227 8.360 -0.000 0.000 0.482 695 M N 0.141 119.568 119.600 -0.289 0.000 2.823 695 M HA 0.243 4.724 4.480 0.001 0.000 0.282 695 M C -0.462 175.765 176.300 -0.123 0.000 1.177 695 M CA -0.835 54.215 55.300 -0.417 0.000 0.871 695 M CB 0.986 33.168 32.600 -0.696 0.000 1.595 695 M HN -0.244 8.046 8.290 -0.000 0.000 0.524 696 D N 1.479 121.828 120.400 -0.084 0.000 2.392 696 D HA 0.182 4.822 4.640 0.001 0.000 0.228 696 D C -1.090 175.218 176.300 0.013 0.000 1.074 696 D CA -0.286 53.707 54.000 -0.012 0.000 0.838 696 D CB 0.819 41.609 40.800 -0.016 0.000 1.067 696 D HN 0.336 8.706 8.370 -0.000 0.000 0.511 697 K N 3.782 124.185 120.400 0.005 0.000 2.338 697 K HA 0.149 4.470 4.320 0.001 0.000 0.290 697 K C 0.765 177.235 176.600 -0.216 0.000 1.069 697 K CA -0.461 55.698 56.287 -0.214 0.000 0.941 697 K CB 0.810 33.183 32.500 -0.212 0.000 1.023 697 K HN 0.228 8.478 8.250 -0.000 0.000 0.477 698 V N 3.930 123.689 119.914 -0.260 0.000 2.379 698 V HA -0.154 3.966 4.120 0.001 0.000 0.245 698 V C 0.626 176.618 176.094 -0.169 0.000 1.044 698 V CA 1.570 63.770 62.300 -0.168 0.000 1.036 698 V CB -0.814 30.927 31.823 -0.137 0.000 0.664 698 V HN 0.975 9.165 8.190 -0.000 0.000 0.453 699 E N -2.063 117.992 120.200 -0.242 0.000 2.422 699 E HA 0.543 4.893 4.350 0.001 0.000 0.280 699 E C -0.331 176.123 176.600 -0.243 0.000 1.091 699 E CA -0.327 55.960 56.400 -0.189 0.000 0.849 699 E CB 1.598 31.222 29.700 -0.126 0.000 1.353 699 E HN 0.439 8.799 8.360 -0.000 0.000 0.449 700 G N 0.291 109.001 108.800 -0.151 0.000 2.525 700 G HA2 0.016 3.976 3.960 0.001 0.000 0.685 700 G HA3 0.016 3.976 3.960 0.001 0.000 0.685 700 G C -1.683 173.187 174.900 -0.051 0.000 1.290 700 G CA -0.333 44.699 45.100 -0.113 0.000 0.915 700 G HN 1.014 9.304 8.290 -0.000 0.000 0.548 701 H N -1.241 117.764 119.070 -0.109 0.000 2.489 701 H HA 0.737 5.293 4.556 0.001 0.000 0.343 701 H C -0.578 174.710 175.328 -0.068 0.000 1.086 701 H CA -0.468 55.532 56.048 -0.080 0.000 1.198 701 H CB 1.845 31.564 29.762 -0.071 0.000 1.490 701 H HN 0.670 8.950 8.280 -0.000 0.000 0.504 702 V N 4.035 123.596 119.914 -0.589 0.000 2.525 702 V HA 0.696 4.816 4.120 0.001 0.000 0.299 702 V C -0.655 175.103 176.094 -0.560 0.000 1.034 702 V CA -0.392 61.652 62.300 -0.428 0.000 0.863 702 V CB 1.373 33.118 31.823 -0.129 0.000 0.999 702 V HN 1.013 9.203 8.190 -0.000 0.000 0.423 703 A N 6.366 128.943 122.820 -0.404 0.000 2.335 703 A HA 0.918 5.239 4.320 0.001 0.000 0.304 703 A C -0.982 176.531 177.584 -0.118 0.000 1.118 703 A CA -0.380 51.528 52.037 -0.215 0.000 0.757 703 A CB 0.812 19.778 19.000 -0.057 0.000 1.188 703 A HN 0.766 8.916 8.150 -0.000 0.000 0.460 704 I N 1.925 122.439 120.570 -0.093 0.000 2.418 704 I HA 0.337 4.507 4.170 0.001 0.000 0.287 704 I C -0.208 175.881 176.117 -0.046 0.000 1.008 704 I CA -0.697 60.563 61.300 -0.066 0.000 1.104 704 I CB 2.211 40.166 38.000 -0.074 0.000 1.264 704 I HN 0.583 8.793 8.210 -0.000 0.000 0.438 705 K N 5.411 125.793 120.400 -0.030 0.000 2.268 705 K HA 0.724 5.045 4.320 0.001 0.000 0.276 705 K C -0.055 176.533 176.600 -0.021 0.000 1.080 705 K CA 0.214 56.489 56.287 -0.020 0.000 0.910 705 K CB 0.723 33.218 32.500 -0.009 0.000 1.163 705 K HN 0.836 9.086 8.250 -0.000 0.000 0.465 706 G N 1.918 110.703 108.800 -0.026 0.000 2.592 706 G HA2 -0.154 3.807 3.960 0.001 0.000 0.684 706 G HA3 -0.154 3.807 3.960 0.001 0.000 0.684 706 G C -0.826 174.048 174.900 -0.043 0.000 1.291 706 G CA -0.518 44.565 45.100 -0.028 0.000 0.891 706 G HN 0.893 9.183 8.290 -0.000 0.000 0.544 707 S N -1.486 114.184 115.700 -0.049 0.000 2.592 707 S HA 0.686 5.156 4.470 0.001 0.000 0.271 707 S C 0.041 174.572 174.600 -0.115 0.000 1.326 707 S CA -0.055 58.103 58.200 -0.071 0.000 1.024 707 S CB 1.909 65.072 63.200 -0.063 0.000 0.921 707 S HN 1.710 10.020 8.310 -0.000 0.000 0.527 708 V N 1.461 121.289 119.914 -0.143 0.000 2.531 708 V HA 0.781 4.901 4.120 0.001 0.000 0.301 708 V C 0.258 176.195 176.094 -0.262 0.000 1.034 708 V CA -0.616 61.560 62.300 -0.206 0.000 0.865 708 V CB 1.119 32.846 31.823 -0.160 0.000 0.995 708 V HN 1.240 9.430 8.190 -0.000 0.000 0.424 709 A N 3.869 126.410 122.820 -0.465 0.000 2.330 709 A HA 0.932 5.253 4.320 0.001 0.000 0.329 709 A C -1.653 175.756 177.584 -0.292 0.000 1.135 709 A CA -0.572 51.190 52.037 -0.460 0.000 0.817 709 A CB 1.647 20.131 19.000 -0.859 0.000 1.269 709 A HN 0.888 9.038 8.150 -0.000 0.000 0.469 710 Y N 0.595 120.724 120.300 -0.285 0.000 2.433 710 Y HA 0.536 5.086 4.550 0.001 0.000 0.337 710 Y C -1.432 174.398 175.900 -0.116 0.000 1.026 710 Y CA -1.449 56.543 58.100 -0.180 0.000 1.037 710 Y CB 2.016 40.427 38.460 -0.083 0.000 1.245 710 Y HN 0.424 8.704 8.280 -0.000 0.000 0.443 711 V N 9.007 128.803 119.914 -0.197 0.000 2.304 711 V HA 0.399 4.520 4.120 0.001 0.000 0.278 711 V C -2.225 173.602 176.094 -0.445 0.000 1.018 711 V CA -1.683 60.472 62.300 -0.242 0.000 0.814 711 V CB 1.075 32.945 31.823 0.080 0.000 1.021 711 V HN 0.612 8.802 8.190 -0.000 0.000 0.440 712 P HA 0.151 4.571 4.420 -0.000 0.000 0.274 712 P C 0.441 177.646 177.300 -0.158 0.000 1.256 712 P CA -0.258 62.475 63.100 -0.611 0.000 0.795 712 P CB 1.390 32.832 31.700 -0.430 0.000 1.038 713 Q N -0.339 119.446 119.800 -0.024 0.000 2.170 713 Q HA -0.179 4.162 4.340 0.001 0.000 0.203 713 Q C 0.490 176.518 176.000 0.047 0.000 0.976 713 Q CA 1.432 57.264 55.803 0.048 0.000 0.858 713 Q CB 0.098 28.888 28.738 0.088 0.000 0.907 713 Q HN 0.325 8.595 8.270 -0.000 0.000 0.433 714 Q N -0.004 119.831 119.800 0.057 0.000 2.357 714 Q HA 0.486 4.826 4.340 0.001 0.000 0.266 714 Q C -1.562 174.496 176.000 0.096 0.000 1.021 714 Q CA -0.256 55.591 55.803 0.073 0.000 0.784 714 Q CB 1.633 30.422 28.738 0.085 0.000 1.243 714 Q HN 0.343 8.613 8.270 -0.000 0.000 0.465 715 A N 4.641 127.475 122.820 0.023 0.000 2.498 715 A HA 0.467 4.788 4.320 0.001 0.000 0.239 715 A C -0.622 176.991 177.584 0.048 0.000 1.068 715 A CA -0.124 51.870 52.037 -0.070 0.000 0.766 715 A CB 0.063 19.001 19.000 -0.102 0.000 1.003 715 A HN 0.767 8.917 8.150 -0.000 0.000 0.497 716 W N 0.769 122.053 121.300 -0.026 0.000 2.962 716 W HA 0.705 5.365 4.660 0.000 0.000 0.341 716 W C -1.727 174.804 176.519 0.019 0.000 1.155 716 W CA -1.261 56.084 57.345 -0.000 0.000 1.165 716 W CB 0.879 30.341 29.460 0.003 0.000 1.435 716 W HN 0.304 8.484 8.180 -0.000 0.000 0.546 717 I N 2.059 122.841 120.570 0.354 0.000 2.545 717 I HA 0.174 4.344 4.170 0.001 0.000 0.292 717 I C -0.137 176.213 176.117 0.388 0.000 1.040 717 I CA -1.095 60.345 61.300 0.233 0.000 1.068 717 I CB 1.741 39.816 38.000 0.124 0.000 1.251 717 I HN 0.493 8.703 8.210 -0.000 0.000 0.424 718 Q N 4.140 124.175 119.800 0.392 0.000 2.299 718 Q HA 0.283 4.623 4.340 0.001 0.000 0.246 718 Q C -0.414 175.694 176.000 0.180 0.000 0.935 718 Q CA -0.182 55.828 55.803 0.345 0.000 0.887 718 Q CB 0.748 29.724 28.738 0.397 0.000 1.223 718 Q HN 0.340 8.610 8.270 -0.000 0.000 0.439 719 N N 4.056 122.830 118.700 0.124 0.000 2.434 719 N HA 0.133 4.873 4.740 0.001 0.000 0.273 719 N C -1.090 174.448 175.510 0.048 0.000 1.210 719 N CA 0.320 53.414 53.050 0.073 0.000 0.992 719 N CB 0.187 38.706 38.487 0.053 0.000 1.355 719 N HN 0.509 8.889 8.380 -0.000 0.000 0.495 720 D N -1.188 119.240 120.400 0.047 0.000 2.809 720 D HA 0.080 4.720 4.640 0.001 0.000 0.336 720 D C -0.645 175.672 176.300 0.028 0.000 1.367 720 D CA -0.374 53.640 54.000 0.024 0.000 0.815 720 D CB 0.720 41.524 40.800 0.007 0.000 1.381 720 D HN 0.258 8.628 8.370 -0.000 0.000 0.471 721 S N -0.102 115.607 115.700 0.015 0.000 2.589 721 S HA 0.129 4.599 4.470 0.001 0.000 0.265 721 S C 1.686 176.305 174.600 0.031 0.000 1.342 721 S CA -0.395 57.816 58.200 0.017 0.000 1.005 721 S CB 0.774 63.977 63.200 0.004 0.000 0.909 721 S HN 0.543 8.853 8.310 -0.000 0.000 0.555 722 L N 1.048 122.290 121.223 0.032 0.000 2.042 722 L HA -0.120 4.221 4.340 0.001 0.000 0.210 722 L C 3.005 179.909 176.870 0.057 0.000 1.076 722 L CA 1.700 56.563 54.840 0.039 0.000 0.749 722 L CB -0.372 41.705 42.059 0.029 0.000 0.893 722 L HN 0.929 9.159 8.230 -0.000 0.000 0.432 723 R N -0.339 120.197 120.500 0.060 0.000 2.096 723 R HA -0.218 4.123 4.340 0.001 0.000 0.240 723 R C 2.049 178.366 176.300 0.028 0.000 1.139 723 R CA 1.962 58.103 56.100 0.068 0.000 0.952 723 R CB -0.244 30.048 30.300 -0.013 0.000 0.854 723 R HN 0.409 8.679 8.270 -0.000 0.000 0.436 724 E N 0.278 120.485 120.200 0.011 0.000 2.268 724 E HA -0.113 4.237 4.350 0.001 0.000 0.195 724 E C 1.572 178.224 176.600 0.088 0.000 0.995 724 E CA 0.526 56.930 56.400 0.006 0.000 0.836 724 E CB -0.298 29.383 29.700 -0.032 0.000 0.763 724 E HN 0.441 8.801 8.360 -0.000 0.000 0.491 725 N N 0.542 119.318 118.700 0.126 0.000 2.309 725 N HA -0.068 4.672 4.740 0.001 0.000 0.182 725 N C 1.882 177.527 175.510 0.224 0.000 1.018 725 N CA 0.674 53.864 53.050 0.233 0.000 0.876 725 N CB 0.124 38.683 38.487 0.120 0.000 0.972 725 N HN 0.243 8.623 8.380 -0.000 0.000 0.434 726 I N 0.610 121.257 120.570 0.129 0.000 2.385 726 I HA -0.137 4.034 4.170 0.001 0.000 0.244 726 I C 2.119 178.301 176.117 0.109 0.000 1.089 726 I CA 0.477 61.829 61.300 0.086 0.000 1.410 726 I CB -0.139 37.888 38.000 0.044 0.000 1.117 726 I HN -0.011 8.199 8.210 -0.000 0.000 0.429 727 L N -0.240 120.999 121.223 0.027 0.000 2.046 727 L HA -0.145 4.195 4.340 0.001 0.000 0.208 727 L C 0.944 177.965 176.870 0.251 0.000 1.077 727 L CA 0.728 55.571 54.840 0.004 0.000 0.747 727 L CB -0.392 41.617 42.059 -0.084 0.000 0.896 727 L HN 0.140 8.370 8.230 -0.000 0.000 0.432 728 F N 1.116 121.096 119.950 0.050 0.000 2.943 728 F HA -0.243 4.284 4.527 0.000 0.000 0.258 728 F C 1.096 176.953 175.800 0.095 0.000 0.995 728 F CA 0.773 58.822 58.000 0.082 0.000 0.896 728 F CB -1.110 37.948 39.000 0.097 0.000 0.821 728 F HN 0.331 8.631 8.300 -0.000 0.000 0.828 729 G N -1.440 107.397 108.800 0.062 0.000 2.232 729 G HA2 -0.305 3.656 3.960 0.001 0.000 0.226 729 G HA3 -0.305 3.656 3.960 0.001 0.000 0.226 729 G C 0.409 175.372 174.900 0.105 0.000 0.996 729 G CA -0.261 44.877 45.100 0.063 0.000 0.626 729 G HN 0.747 9.037 8.290 -0.000 0.000 0.509 730 C N 2.376 121.780 119.300 0.174 0.000 2.520 730 C HA 0.702 5.162 4.460 0.001 0.000 0.376 730 C C 0.731 175.816 174.990 0.159 0.000 1.268 730 C CA -0.814 58.334 59.018 0.216 0.000 2.414 730 C CB 1.322 29.314 27.740 0.420 0.000 2.521 730 C HN 0.539 8.769 8.230 -0.000 0.000 0.618 731 Q N 1.018 120.914 119.800 0.159 0.000 2.299 731 Q HA 0.371 4.711 4.340 0.001 0.000 0.246 731 Q C -0.402 175.693 176.000 0.157 0.000 0.935 731 Q CA -0.234 55.631 55.803 0.104 0.000 0.887 731 Q CB 0.904 29.688 28.738 0.078 0.000 1.223 731 Q HN 0.694 8.964 8.270 -0.000 0.000 0.439 732 L N 2.132 123.367 121.223 0.020 0.000 2.360 732 L HA 0.121 4.462 4.340 0.001 0.000 0.276 732 L C -0.275 176.654 176.870 0.098 0.000 1.121 732 L CA 0.338 55.155 54.840 -0.039 0.000 0.845 732 L CB 0.362 42.228 42.059 -0.321 0.000 1.143 732 L HN 0.515 8.745 8.230 -0.000 0.000 0.452 733 E N 4.629 124.998 120.200 0.281 0.000 2.234 733 E HA 0.353 4.704 4.350 0.001 0.000 0.266 733 E C -1.246 175.528 176.600 0.290 0.000 0.877 733 E CA -0.835 55.710 56.400 0.242 0.000 0.758 733 E CB 1.951 31.790 29.700 0.232 0.000 1.170 733 E HN 0.493 8.853 8.360 -0.000 0.000 0.415 734 E N 2.572 122.886 120.200 0.191 0.000 2.202 734 E HA 0.236 4.586 4.350 0.001 0.000 0.272 734 E C -1.672 175.020 176.600 0.153 0.000 0.951 734 E CA -1.771 54.743 56.400 0.190 0.000 0.813 734 E CB 1.304 31.084 29.700 0.133 0.000 1.151 734 E HN 0.407 8.767 8.360 -0.000 0.000 0.398 735 P HA 0.038 4.458 4.420 -0.000 0.000 0.257 735 P C 0.878 178.304 177.300 0.209 0.000 1.325 735 P CA 0.086 63.281 63.100 0.158 0.000 0.850 735 P CB 0.065 31.828 31.700 0.106 0.000 1.324 736 Y N 0.492 120.872 120.300 0.133 0.000 2.128 736 Y HA -0.286 4.264 4.550 0.001 0.000 0.284 736 Y C 2.395 178.445 175.900 0.249 0.000 1.154 736 Y CA 1.513 59.693 58.100 0.134 0.000 1.149 736 Y CB -0.929 37.572 38.460 0.068 0.000 0.976 736 Y HN -0.083 8.197 8.280 -0.000 0.000 0.505 737 Y N 1.018 121.453 120.300 0.226 0.000 2.128 737 Y HA -0.294 4.256 4.550 0.000 0.000 0.284 737 Y C 2.883 178.782 175.900 -0.001 0.000 1.154 737 Y CA 2.452 60.645 58.100 0.155 0.000 1.149 737 Y CB -0.634 37.905 38.460 0.131 0.000 0.976 737 Y HN 0.120 8.400 8.280 -0.000 0.000 0.505 738 R N 0.174 120.729 120.500 0.092 0.000 2.103 738 R HA -0.210 4.131 4.340 0.001 0.000 0.242 738 R C 2.454 178.692 176.300 -0.103 0.000 1.142 738 R CA 2.124 58.214 56.100 -0.016 0.000 0.960 738 R CB -0.640 29.696 30.300 0.061 0.000 0.858 738 R HN 0.549 8.819 8.270 -0.000 0.000 0.439 739 S N -0.483 115.156 115.700 -0.102 0.000 2.383 739 S HA -0.070 4.401 4.470 0.001 0.000 0.227 739 S C 2.036 176.507 174.600 -0.215 0.000 1.026 739 S CA 1.253 59.374 58.200 -0.131 0.000 0.981 739 S CB -0.315 62.830 63.200 -0.093 0.000 0.818 739 S HN 0.184 8.494 8.310 -0.000 0.000 0.472 740 V N 2.247 121.958 119.914 -0.337 0.000 2.379 740 V HA -0.083 4.037 4.120 0.001 0.000 0.245 740 V C 2.591 178.531 176.094 -0.257 0.000 1.044 740 V CA 1.305 63.414 62.300 -0.317 0.000 1.036 740 V CB -0.707 30.925 31.823 -0.319 0.000 0.664 740 V HN 0.436 8.626 8.190 -0.000 0.000 0.453 741 I N 0.179 120.543 120.570 -0.343 0.000 2.163 741 I HA -0.256 3.914 4.170 0.001 0.000 0.243 741 I C 2.605 178.633 176.117 -0.149 0.000 1.085 741 I CA 1.784 62.913 61.300 -0.285 0.000 1.347 741 I CB -1.229 36.572 38.000 -0.332 0.000 1.044 741 I HN 0.413 8.623 8.210 -0.000 0.000 0.408 742 Q N 1.012 120.746 119.800 -0.110 0.000 2.046 742 Q HA -0.133 4.207 4.340 0.001 0.000 0.200 742 Q C 2.244 178.286 176.000 0.071 0.000 0.975 742 Q CA 2.097 57.884 55.803 -0.028 0.000 0.836 742 Q CB -0.061 28.667 28.738 -0.016 0.000 0.896 742 Q HN 0.483 8.753 8.270 -0.000 0.000 0.428 743 A N -0.333 122.489 122.820 0.003 0.000 1.969 743 A HA -0.132 4.188 4.320 0.001 0.000 0.218 743 A C 2.186 179.814 177.584 0.074 0.000 1.169 743 A CA 1.341 53.383 52.037 0.008 0.000 0.635 743 A CB -0.587 18.348 19.000 -0.107 0.000 0.810 743 A HN 0.525 8.675 8.150 -0.000 0.000 0.445 744 C N -1.291 118.011 119.300 0.004 0.000 2.625 744 C HA 0.548 5.008 4.460 0.001 0.000 0.285 744 C C 1.672 176.648 174.990 -0.023 0.000 1.279 744 C CA -0.136 58.876 59.018 -0.011 0.000 1.698 744 C CB -1.574 26.131 27.740 -0.057 0.000 1.821 744 C HN 1.130 9.360 8.230 -0.000 0.000 0.600 745 A N 0.218 123.012 122.820 -0.043 0.000 2.872 745 A HA -0.223 4.097 4.320 0.001 0.000 0.273 745 A C 0.968 178.470 177.584 -0.138 0.000 1.442 745 A CA 1.016 52.924 52.037 -0.216 0.000 0.801 745 A CB -2.018 16.828 19.000 -0.257 0.000 1.031 745 A HN 0.645 8.795 8.150 -0.000 0.000 0.582 746 L N -1.255 119.904 121.223 -0.108 0.000 2.509 746 L HA 0.048 4.388 4.340 0.001 0.000 0.222 746 L C 2.373 179.196 176.870 -0.079 0.000 1.123 746 L CA 0.795 55.581 54.840 -0.091 0.000 0.856 746 L CB -0.206 41.792 42.059 -0.101 0.000 0.985 746 L HN 0.657 8.887 8.230 -0.000 0.000 0.456 747 L N 0.284 121.457 121.223 -0.084 0.000 2.012 747 L HA -0.173 4.167 4.340 0.001 0.000 0.210 747 L C -0.171 176.670 176.870 -0.048 0.000 1.073 747 L CA 1.567 56.370 54.840 -0.060 0.000 0.748 747 L CB -1.729 40.296 42.059 -0.056 0.000 0.891 747 L HN 0.242 8.472 8.230 -0.000 0.000 0.431 748 P HA -0.138 4.282 4.420 -0.000 0.000 0.218 748 P C 0.821 178.102 177.300 -0.032 0.000 1.148 748 P CA 1.260 64.336 63.100 -0.040 0.000 0.822 748 P CB -0.020 31.654 31.700 -0.044 0.000 0.784 749 D N -0.652 119.727 120.400 -0.036 0.000 2.103 749 D HA -0.060 4.581 4.640 0.001 0.000 0.199 749 D C 2.103 178.391 176.300 -0.019 0.000 0.978 749 D CA 0.972 54.956 54.000 -0.026 0.000 0.829 749 D CB -0.720 40.062 40.800 -0.030 0.000 0.981 749 D HN 0.176 8.546 8.370 -0.000 0.000 0.464 750 L N 0.885 122.095 121.223 -0.022 0.000 2.079 750 L HA -0.157 4.183 4.340 0.001 0.000 0.210 750 L C 2.460 179.326 176.870 -0.007 0.000 1.081 750 L CA 1.061 55.894 54.840 -0.011 0.000 0.752 750 L CB -0.447 41.606 42.059 -0.009 0.000 0.896 750 L HN 0.040 8.270 8.230 -0.000 0.000 0.433 751 E N 0.937 121.130 120.200 -0.011 0.000 2.209 751 E HA -0.217 4.133 4.350 0.001 0.000 0.196 751 E C 1.808 178.404 176.600 -0.006 0.000 0.993 751 E CA 1.119 57.514 56.400 -0.008 0.000 0.819 751 E CB 0.034 29.727 29.700 -0.012 0.000 0.745 751 E HN 0.729 9.089 8.360 -0.000 0.000 0.477 752 I N -1.889 118.677 120.570 -0.007 0.000 3.976 752 I HA 0.241 4.411 4.170 0.001 0.000 0.337 752 I C -0.151 175.965 176.117 -0.002 0.000 1.359 752 I CA -0.430 60.867 61.300 -0.005 0.000 1.098 752 I CB 0.296 38.292 38.000 -0.006 0.000 1.027 752 I HN -0.161 8.049 8.210 -0.000 0.000 0.394 753 L N 3.046 124.268 121.223 -0.001 0.000 2.334 753 L HA 0.395 4.736 4.340 0.001 0.000 0.277 753 L C -0.980 175.893 176.870 0.004 0.000 1.075 753 L CA -1.640 53.202 54.840 0.002 0.000 0.804 753 L CB 0.863 42.924 42.059 0.004 0.000 1.174 753 L HN -0.084 8.146 8.230 -0.000 0.000 0.438 754 P HA -0.085 4.335 4.420 -0.000 0.000 0.220 754 P C 0.653 177.956 177.300 0.005 0.000 1.148 754 P CA 0.907 64.009 63.100 0.004 0.000 0.803 754 P CB 0.422 32.124 31.700 0.004 0.000 0.782 755 S N -1.296 114.408 115.700 0.006 0.000 2.843 755 S HA 0.466 4.937 4.470 0.001 0.000 0.249 755 S C 0.980 175.586 174.600 0.011 0.000 1.047 755 S CA 0.029 58.233 58.200 0.007 0.000 1.042 755 S CB 0.434 63.637 63.200 0.005 0.000 0.936 755 S HN 0.460 8.770 8.310 -0.000 0.000 0.531 756 G N 3.680 112.487 108.800 0.012 0.000 2.596 756 G HA2 -0.406 3.554 3.960 0.001 0.000 0.295 756 G HA3 -0.406 3.554 3.960 0.001 0.000 0.295 756 G C 0.522 175.436 174.900 0.024 0.000 1.240 756 G CA 0.714 45.824 45.100 0.017 0.000 0.985 756 G HN 0.564 8.854 8.290 -0.000 0.000 0.555 757 D N 0.474 120.899 120.400 0.042 0.000 2.350 757 D HA -0.035 4.605 4.640 0.001 0.000 0.216 757 D C 2.050 178.371 176.300 0.035 0.000 0.968 757 D CA 1.201 55.236 54.000 0.058 0.000 0.894 757 D CB -0.300 40.580 40.800 0.134 0.000 0.909 757 D HN 0.569 8.939 8.370 -0.000 0.000 0.520 758 R N -0.175 120.336 120.500 0.019 0.000 2.313 758 R HA 0.084 4.424 4.340 0.001 0.000 0.199 758 R C 0.211 176.515 176.300 0.008 0.000 0.958 758 R CA 0.152 56.256 56.100 0.005 0.000 1.047 758 R CB -0.122 30.176 30.300 -0.003 0.000 0.955 758 R HN 0.104 8.374 8.270 -0.000 0.000 0.481 759 T N 2.370 116.931 114.554 0.012 0.000 2.867 759 T HA -0.015 4.335 4.350 0.001 0.000 0.297 759 T C 0.266 174.974 174.700 0.014 0.000 0.989 759 T CA 0.245 62.352 62.100 0.012 0.000 1.159 759 T CB 0.817 69.692 68.868 0.012 0.000 0.928 759 T HN 0.006 8.246 8.240 -0.000 0.000 0.538 760 E N 3.264 123.472 120.200 0.013 0.000 2.299 760 E HA 0.213 4.563 4.350 0.001 0.000 0.272 760 E C 0.465 177.078 176.600 0.021 0.000 1.043 760 E CA -0.002 56.408 56.400 0.017 0.000 0.895 760 E CB 0.490 30.198 29.700 0.013 0.000 1.011 760 E HN 0.617 8.977 8.360 -0.000 0.000 0.432 761 I N -1.434 119.153 120.570 0.029 0.000 3.170 761 I HA 0.844 5.014 4.170 0.001 0.000 0.312 761 I C 0.698 176.843 176.117 0.047 0.000 1.085 761 I CA -0.559 60.761 61.300 0.034 0.000 0.999 761 I CB 1.871 39.890 38.000 0.032 0.000 1.233 761 I HN 0.575 8.785 8.210 -0.000 0.000 0.467 762 G N 1.660 110.492 108.800 0.053 0.000 2.584 762 G HA2 -0.142 3.818 3.960 0.001 0.000 0.229 762 G HA3 -0.142 3.818 3.960 0.001 0.000 0.229 762 G C -0.634 174.296 174.900 0.049 0.000 1.320 762 G CA -0.404 44.735 45.100 0.065 0.000 0.891 762 G HN 0.902 9.192 8.290 -0.000 0.000 0.573 763 E N 1.567 121.797 120.200 0.050 0.000 2.465 763 E HA 0.209 4.559 4.350 0.001 0.000 0.260 763 E C 1.048 177.665 176.600 0.028 0.000 0.980 763 E CA 0.925 57.347 56.400 0.037 0.000 0.927 763 E CB 0.278 29.999 29.700 0.034 0.000 0.934 763 E HN 0.706 9.066 8.360 -0.000 0.000 0.459 764 K N -0.438 119.976 120.400 0.023 0.000 3.472 764 K HA -0.209 4.111 4.320 0.001 0.000 0.315 764 K C 0.704 177.314 176.600 0.017 0.000 1.320 764 K CA 1.100 57.398 56.287 0.018 0.000 0.962 764 K CB -1.468 31.041 32.500 0.015 0.000 1.251 764 K HN 0.678 8.928 8.250 -0.000 0.000 0.443 765 G N 0.176 108.989 108.800 0.021 0.000 3.119 765 G HA2 0.561 4.521 3.960 0.001 0.000 0.206 765 G HA3 0.561 4.521 3.960 0.001 0.000 0.206 765 G C -0.363 174.548 174.900 0.018 0.000 1.313 765 G CA -0.528 44.583 45.100 0.019 0.000 1.010 765 G HN 0.004 8.294 8.290 -0.000 0.000 0.578 766 V N 1.193 121.117 119.914 0.017 0.000 2.655 766 V HA 0.066 4.186 4.120 0.001 0.000 0.300 766 V C 0.287 176.392 176.094 0.018 0.000 1.044 766 V CA -0.248 62.061 62.300 0.015 0.000 1.095 766 V CB 1.106 32.936 31.823 0.012 0.000 0.952 766 V HN 0.621 8.811 8.190 -0.000 0.000 0.485 767 N N 5.551 124.260 118.700 0.016 0.000 2.482 767 N HA 0.255 4.996 4.740 0.001 0.000 0.242 767 N C -0.575 174.944 175.510 0.015 0.000 1.100 767 N CA -0.119 52.942 53.050 0.017 0.000 0.946 767 N CB 0.105 38.601 38.487 0.016 0.000 1.227 767 N HN 0.600 8.980 8.380 -0.000 0.000 0.508 768 L N 1.660 122.893 121.223 0.016 0.000 2.417 768 L HA 0.241 4.581 4.340 0.001 0.000 0.268 768 L C 1.169 178.046 176.870 0.012 0.000 1.158 768 L CA -0.632 54.215 54.840 0.011 0.000 0.819 768 L CB 0.724 42.789 42.059 0.009 0.000 1.112 768 L HN 0.571 8.801 8.230 -0.000 0.000 0.458 769 S N 1.080 116.784 115.700 0.007 0.000 2.624 769 S HA 0.175 4.646 4.470 0.001 0.000 0.263 769 S C 1.236 175.842 174.600 0.009 0.000 1.287 769 S CA -0.244 57.961 58.200 0.009 0.000 0.990 769 S CB 1.295 64.499 63.200 0.006 0.000 0.950 769 S HN 0.779 9.089 8.310 -0.000 0.000 0.561 770 G N 0.509 109.317 108.800 0.013 0.000 2.440 770 G HA2 -0.028 3.933 3.960 0.001 0.000 0.218 770 G HA3 -0.028 3.933 3.960 0.001 0.000 0.218 770 G C 1.345 176.250 174.900 0.008 0.000 1.154 770 G CA 0.653 45.762 45.100 0.015 0.000 0.767 770 G HN 0.999 9.289 8.290 -0.000 0.000 0.552 771 G N 0.067 108.872 108.800 0.008 0.000 2.418 771 G HA2 -0.156 3.804 3.960 0.001 0.000 0.217 771 G HA3 -0.156 3.804 3.960 0.001 0.000 0.217 771 G C 1.804 176.699 174.900 -0.009 0.000 1.158 771 G CA 1.064 46.166 45.100 0.004 0.000 0.771 771 G HN 0.511 8.801 8.290 -0.000 0.000 0.545 772 Q N 0.135 119.929 119.800 -0.010 0.000 2.084 772 Q HA -0.060 4.281 4.340 0.001 0.000 0.202 772 Q C 2.615 178.598 176.000 -0.027 0.000 0.978 772 Q CA 1.304 57.096 55.803 -0.018 0.000 0.844 772 Q CB -0.133 28.598 28.738 -0.012 0.000 0.898 772 Q HN 0.414 8.684 8.270 -0.000 0.000 0.426 773 K N 0.352 120.739 120.400 -0.022 0.000 2.097 773 K HA -0.232 4.089 4.320 0.001 0.000 0.206 773 K C 2.151 178.710 176.600 -0.068 0.000 1.049 773 K CA 1.353 57.617 56.287 -0.039 0.000 0.933 773 K CB -0.074 32.416 32.500 -0.018 0.000 0.717 773 K HN 0.045 8.295 8.250 -0.000 0.000 0.442 774 Q N 1.417 121.189 119.800 -0.047 0.000 2.119 774 Q HA -0.102 4.239 4.340 0.001 0.000 0.201 774 Q C 1.784 177.751 176.000 -0.056 0.000 0.972 774 Q CA 1.545 57.318 55.803 -0.051 0.000 0.847 774 Q CB 0.054 28.780 28.738 -0.019 0.000 0.903 774 Q HN 0.181 8.451 8.270 -0.000 0.000 0.433 775 R N -0.917 119.555 120.500 -0.048 0.000 2.092 775 R HA -0.046 4.294 4.340 0.001 0.000 0.231 775 R C 2.241 178.501 176.300 -0.066 0.000 1.119 775 R CA 1.286 57.356 56.100 -0.050 0.000 0.970 775 R CB -0.275 29.996 30.300 -0.048 0.000 0.864 775 R HN 0.153 8.423 8.270 -0.000 0.000 0.440 776 V N 0.236 120.104 119.914 -0.077 0.000 2.358 776 V HA -0.245 3.875 4.120 0.001 0.000 0.246 776 V C 2.395 178.406 176.094 -0.138 0.000 1.047 776 V CA 2.048 64.293 62.300 -0.092 0.000 1.035 776 V CB -0.387 31.388 31.823 -0.081 0.000 0.658 776 V HN 0.346 8.536 8.190 -0.000 0.000 0.452 777 S N -0.461 115.129 115.700 -0.185 0.000 2.368 777 S HA -0.147 4.324 4.470 0.001 0.000 0.225 777 S C 1.962 176.471 174.600 -0.153 0.000 1.030 777 S CA 1.595 59.633 58.200 -0.270 0.000 0.999 777 S CB -0.316 62.700 63.200 -0.307 0.000 0.844 777 S HN 0.483 8.793 8.310 -0.000 0.000 0.459 778 L N 1.078 122.261 121.223 -0.066 0.000 2.017 778 L HA -0.087 4.253 4.340 0.001 0.000 0.208 778 L C 2.946 179.833 176.870 0.028 0.000 1.073 778 L CA 1.408 56.262 54.840 0.024 0.000 0.745 778 L CB -0.651 41.422 42.059 0.023 0.000 0.894 778 L HN 0.420 8.650 8.230 -0.000 0.000 0.432 779 A N -0.313 122.494 122.820 -0.020 0.000 1.933 779 A HA -0.242 4.079 4.320 0.001 0.000 0.218 779 A C 2.417 180.033 177.584 0.053 0.000 1.175 779 A CA 1.674 53.706 52.037 -0.009 0.000 0.628 779 A CB -0.592 18.366 19.000 -0.069 0.000 0.814 779 A HN 0.353 8.503 8.150 -0.000 0.000 0.444 780 R N -0.329 120.167 120.500 -0.008 0.000 2.083 780 R HA -0.168 4.172 4.340 0.001 0.000 0.237 780 R C 2.296 178.633 176.300 0.062 0.000 1.137 780 R CA 1.673 57.769 56.100 -0.007 0.000 0.951 780 R CB -0.413 29.754 30.300 -0.222 0.000 0.851 780 R HN 0.451 8.721 8.270 -0.000 0.000 0.434 781 A N 0.092 122.940 122.820 0.047 0.000 1.873 781 A HA -0.078 4.243 4.320 0.001 0.000 0.215 781 A C 2.285 180.087 177.584 0.364 0.000 1.186 781 A CA 1.492 53.610 52.037 0.135 0.000 0.616 781 A CB -0.530 18.548 19.000 0.130 0.000 0.823 781 A HN 0.231 8.381 8.150 -0.000 0.000 0.442 782 V N -1.445 118.665 119.914 0.327 0.000 2.343 782 V HA -0.282 3.839 4.120 0.001 0.000 0.247 782 V C 2.365 178.643 176.094 0.306 0.000 1.051 782 V CA 2.091 64.554 62.300 0.272 0.000 1.036 782 V CB -1.055 30.809 31.823 0.070 0.000 0.654 782 V HN 0.686 8.876 8.190 -0.000 0.000 0.451 783 Y N 1.875 122.280 120.300 0.175 0.000 2.274 783 Y HA -0.251 4.299 4.550 0.001 0.000 0.290 783 Y C 2.778 178.894 175.900 0.360 0.000 1.145 783 Y CA 1.552 59.812 58.100 0.267 0.000 1.203 783 Y CB -0.234 38.340 38.460 0.189 0.000 0.984 783 Y HN 0.406 8.686 8.280 -0.000 0.000 0.533 784 S N -0.109 115.754 115.700 0.272 0.000 2.474 784 S HA -0.166 4.305 4.470 0.001 0.000 0.235 784 S C 1.047 175.694 174.600 0.078 0.000 0.997 784 S CA 0.775 59.068 58.200 0.154 0.000 0.949 784 S CB -0.710 62.558 63.200 0.113 0.000 0.766 784 S HN 0.656 8.966 8.310 -0.000 0.000 0.517 785 N N 1.189 119.996 118.700 0.178 0.000 2.714 785 N HA -0.165 4.575 4.740 0.001 0.000 0.253 785 N C -0.141 175.428 175.510 0.098 0.000 1.024 785 N CA 0.719 53.854 53.050 0.142 0.000 0.726 785 N CB -1.636 36.782 38.487 -0.115 0.000 0.908 785 N HN 0.825 9.205 8.380 -0.000 0.000 0.542 786 A N 0.110 122.988 122.820 0.097 0.000 2.296 786 A HA 0.329 4.649 4.320 0.001 0.000 0.264 786 A C 1.123 178.746 177.584 0.065 0.000 1.097 786 A CA 0.221 52.221 52.037 -0.061 0.000 0.811 786 A CB 0.341 19.124 19.000 -0.361 0.000 1.072 786 A HN 0.420 8.570 8.150 -0.000 0.000 0.495 787 D N -0.548 119.851 120.400 -0.002 0.000 2.194 787 D HA 0.093 4.733 4.640 0.001 0.000 0.204 787 D C 0.182 176.526 176.300 0.073 0.000 0.964 787 D CA 1.374 55.399 54.000 0.042 0.000 0.846 787 D CB 0.074 40.876 40.800 0.004 0.000 0.962 787 D HN 0.457 8.827 8.370 -0.000 0.000 0.490 788 I N 0.014 120.576 120.570 -0.014 0.000 2.498 788 I HA 0.236 4.407 4.170 0.001 0.000 0.290 788 I C -1.166 174.845 176.117 -0.177 0.000 1.032 788 I CA -0.861 60.435 61.300 -0.006 0.000 1.073 788 I CB 2.068 40.042 38.000 -0.043 0.000 1.251 788 I HN -0.257 7.953 8.210 -0.000 0.000 0.426 789 Y N 5.898 126.115 120.300 -0.138 0.000 2.341 789 Y HA 0.545 5.096 4.550 0.000 0.000 0.338 789 Y C -0.442 175.233 175.900 -0.375 0.000 0.965 789 Y CA -0.694 57.192 58.100 -0.358 0.000 1.108 789 Y CB 1.806 39.923 38.460 -0.572 0.000 1.180 789 Y HN 0.269 8.549 8.280 -0.000 0.000 0.458 790 L N 5.406 126.463 121.223 -0.276 0.000 2.295 790 L HA 0.432 4.773 4.340 0.001 0.000 0.281 790 L C -1.320 175.512 176.870 -0.063 0.000 1.018 790 L CA -0.465 54.330 54.840 -0.074 0.000 0.841 790 L CB 0.477 42.548 42.059 0.020 0.000 1.218 790 L HN 0.513 8.743 8.230 -0.000 0.000 0.424 791 F N 1.461 121.519 119.950 0.179 0.000 2.385 791 F HA 0.229 4.756 4.527 0.000 0.000 0.360 791 F C 0.617 176.485 175.800 0.114 0.000 1.122 791 F CA -0.664 57.412 58.000 0.127 0.000 1.090 791 F CB 1.079 40.133 39.000 0.090 0.000 1.150 791 F HN 0.354 8.654 8.300 -0.000 0.000 0.472 792 D N 4.136 124.686 120.400 0.251 0.000 2.500 792 D HA 0.089 4.729 4.640 0.001 0.000 0.219 792 D C -0.257 176.137 176.300 0.157 0.000 1.137 792 D CA 0.080 54.196 54.000 0.195 0.000 0.946 792 D CB -0.124 40.782 40.800 0.177 0.000 1.022 792 D HN 0.533 8.903 8.370 -0.000 0.000 0.518 793 D N 2.829 123.324 120.400 0.158 0.000 2.760 793 D HA -0.140 4.500 4.640 0.001 0.000 0.244 793 D C -1.623 174.731 176.300 0.091 0.000 1.123 793 D CA 0.141 54.214 54.000 0.121 0.000 0.719 793 D CB -0.018 40.886 40.800 0.172 0.000 1.045 793 D HN 0.339 8.709 8.370 -0.000 0.000 0.426 794 P HA -0.048 4.372 4.420 -0.000 0.000 0.233 794 P C 1.545 178.847 177.300 0.004 0.000 1.167 794 P CA 0.409 63.541 63.100 0.052 0.000 0.770 794 P CB 0.190 31.902 31.700 0.021 0.000 0.837 795 L N -1.182 120.037 121.223 -0.006 0.000 2.640 795 L HA 0.204 4.545 4.340 0.001 0.000 0.230 795 L C 2.482 179.374 176.870 0.036 0.000 1.123 795 L CA 0.161 55.000 54.840 -0.001 0.000 0.900 795 L CB -0.463 41.590 42.059 -0.010 0.000 1.146 795 L HN -0.060 8.170 8.230 -0.000 0.000 0.484 796 S N 1.091 116.831 115.700 0.067 0.000 2.382 796 S HA -0.133 4.338 4.470 0.001 0.000 0.228 796 S C 1.917 176.590 174.600 0.122 0.000 1.027 796 S CA 1.531 59.828 58.200 0.161 0.000 0.991 796 S CB 0.124 63.484 63.200 0.267 0.000 0.823 796 S HN 0.483 8.793 8.310 -0.000 0.000 0.469 797 A N 0.666 123.533 122.820 0.078 0.000 2.275 797 A HA 0.446 4.766 4.320 0.001 0.000 0.212 797 A C 0.738 178.347 177.584 0.042 0.000 1.201 797 A CA 0.281 52.351 52.037 0.056 0.000 0.843 797 A CB -0.239 18.785 19.000 0.040 0.000 0.873 797 A HN 0.607 8.757 8.150 -0.000 0.000 0.492 798 V N -1.551 118.388 119.914 0.042 0.000 2.881 798 V HA 0.609 4.730 4.120 0.001 0.000 0.316 798 V C -0.402 175.722 176.094 0.049 0.000 1.070 798 V CA -0.895 61.426 62.300 0.035 0.000 0.976 798 V CB 1.440 33.275 31.823 0.021 0.000 1.038 798 V HN 0.369 8.559 8.190 -0.000 0.000 0.446 799 D N 2.355 122.786 120.400 0.051 0.000 2.384 799 D HA 0.398 5.039 4.640 0.001 0.000 0.244 799 D C 1.185 177.534 176.300 0.082 0.000 1.251 799 D CA 0.275 54.314 54.000 0.064 0.000 0.961 799 D CB 1.040 41.877 40.800 0.062 0.000 1.116 799 D HN 0.811 9.181 8.370 -0.000 0.000 0.484 800 A N -0.174 122.700 122.820 0.090 0.000 1.933 800 A HA -0.224 4.096 4.320 0.001 0.000 0.218 800 A C 2.125 179.787 177.584 0.130 0.000 1.175 800 A CA 2.153 54.250 52.037 0.100 0.000 0.628 800 A CB -1.313 17.733 19.000 0.077 0.000 0.814 800 A HN 0.841 8.991 8.150 -0.000 0.000 0.444 801 H N -0.447 118.651 119.070 0.046 0.000 2.326 801 H HA -0.062 4.494 4.556 0.000 0.000 0.301 801 H C 1.835 177.202 175.328 0.064 0.000 1.081 801 H CA 2.040 58.118 56.048 0.050 0.000 1.334 801 H CB -0.187 29.590 29.762 0.026 0.000 1.385 801 H HN 0.110 8.390 8.280 -0.000 0.000 0.504 802 V N 0.249 120.197 119.914 0.056 0.000 2.343 802 V HA -0.205 3.915 4.120 0.001 0.000 0.247 802 V C 2.720 178.817 176.094 0.005 0.000 1.051 802 V CA 1.811 64.106 62.300 -0.008 0.000 1.036 802 V CB -1.198 30.638 31.823 0.021 0.000 0.654 802 V HN 0.744 8.934 8.190 -0.000 0.000 0.451 803 G N -0.487 108.332 108.800 0.031 0.000 2.440 803 G HA2 -0.328 3.632 3.960 0.001 0.000 0.218 803 G HA3 -0.328 3.632 3.960 0.001 0.000 0.218 803 G C 1.649 176.553 174.900 0.007 0.000 1.154 803 G CA 1.141 46.257 45.100 0.027 0.000 0.767 803 G HN 0.496 8.786 8.290 -0.000 0.000 0.552 804 K N -0.364 120.070 120.400 0.057 0.000 2.057 804 K HA -0.179 4.141 4.320 0.001 0.000 0.207 804 K C 2.199 178.792 176.600 -0.011 0.000 1.049 804 K CA 1.245 57.577 56.287 0.075 0.000 0.931 804 K CB -0.390 32.163 32.500 0.089 0.000 0.714 804 K HN 0.441 8.691 8.250 -0.000 0.000 0.440 805 H N 0.725 119.701 119.070 -0.157 0.000 2.319 805 H HA -0.118 4.438 4.556 0.001 0.000 0.299 805 H C 2.031 177.273 175.328 -0.143 0.000 1.092 805 H CA 2.074 58.024 56.048 -0.164 0.000 1.302 805 H CB -0.008 29.633 29.762 -0.201 0.000 1.373 805 H HN 0.222 8.502 8.280 -0.000 0.000 0.497 806 I N -0.191 120.363 120.570 -0.026 0.000 2.252 806 I HA -0.250 3.921 4.170 0.001 0.000 0.245 806 I C 2.483 178.451 176.117 -0.249 0.000 1.102 806 I CA 0.894 62.126 61.300 -0.114 0.000 1.385 806 I CB -0.457 37.494 38.000 -0.080 0.000 1.064 806 I HN 0.121 8.331 8.210 -0.000 0.000 0.414 807 F N 1.968 121.677 119.950 -0.403 0.000 2.095 807 F HA -0.237 4.291 4.527 0.000 0.000 0.298 807 F C 2.437 178.006 175.800 -0.385 0.000 1.104 807 F CA 1.860 59.542 58.000 -0.530 0.000 1.232 807 F CB -0.177 38.246 39.000 -0.960 0.000 0.987 807 F HN 0.033 8.333 8.300 -0.000 0.000 0.475 808 E N -0.384 119.678 120.200 -0.229 0.000 2.106 808 E HA -0.201 4.150 4.350 0.001 0.000 0.192 808 E C 1.604 177.998 176.600 -0.343 0.000 0.984 808 E CA 1.568 57.822 56.400 -0.243 0.000 0.806 808 E CB -0.256 29.355 29.700 -0.148 0.000 0.750 808 E HN 0.518 8.878 8.360 -0.000 0.000 0.458 809 N N -0.955 117.508 118.700 -0.395 0.000 2.388 809 N HA -0.015 4.725 4.740 0.001 0.000 0.176 809 N C 1.193 176.523 175.510 -0.301 0.000 1.062 809 N CA 0.261 53.095 53.050 -0.360 0.000 0.895 809 N CB 0.919 39.124 38.487 -0.470 0.000 1.018 809 N HN -0.087 8.293 8.380 -0.000 0.000 0.456 810 V N -0.463 119.245 119.914 -0.342 0.000 2.996 810 V HA 0.213 4.333 4.120 0.001 0.000 0.235 810 V C 1.475 177.328 176.094 -0.401 0.000 1.205 810 V CA 0.459 62.573 62.300 -0.310 0.000 1.225 810 V CB 0.210 31.883 31.823 -0.249 0.000 0.995 810 V HN 0.104 8.294 8.190 -0.000 0.000 0.484 811 I N 0.337 120.546 120.570 -0.601 0.000 2.628 811 I HA 0.245 4.415 4.170 0.001 0.000 0.255 811 I C 1.607 177.269 176.117 -0.759 0.000 1.119 811 I CA 0.969 61.837 61.300 -0.720 0.000 1.448 811 I CB -0.328 37.156 38.000 -0.859 0.000 1.133 811 I HN 0.364 8.574 8.210 -0.000 0.000 0.438 812 G N 1.175 109.307 108.800 -1.114 0.000 2.563 812 G HA2 0.189 4.150 3.960 0.001 0.000 0.283 812 G HA3 0.189 4.150 3.960 0.001 0.000 0.283 812 G C -1.758 172.887 174.900 -0.425 0.000 1.309 812 G CA -0.610 43.896 45.100 -0.990 0.000 1.022 812 G HN -0.001 8.289 8.290 -0.000 0.000 0.501 813 P HA -0.008 4.412 4.420 -0.000 0.000 0.225 813 P C 0.848 178.079 177.300 -0.115 0.000 1.148 813 P CA 1.149 64.176 63.100 -0.122 0.000 0.779 813 P CB 0.322 31.994 31.700 -0.047 0.000 0.780 814 K N -0.569 119.745 120.400 -0.144 0.000 2.358 814 K HA 0.226 4.546 4.320 0.001 0.000 0.200 814 K C 1.299 177.805 176.600 -0.157 0.000 1.030 814 K CA -0.181 56.034 56.287 -0.120 0.000 1.097 814 K CB 0.598 33.044 32.500 -0.091 0.000 0.862 814 K HN 0.080 8.330 8.250 -0.000 0.000 0.534 815 G N 1.348 110.016 108.800 -0.220 0.000 2.616 815 G HA2 0.071 4.031 3.960 0.001 0.000 0.268 815 G HA3 0.071 4.031 3.960 0.001 0.000 0.268 815 G C 0.882 175.681 174.900 -0.170 0.000 1.213 815 G CA -0.582 44.376 45.100 -0.236 0.000 0.926 815 G HN 0.176 8.466 8.290 -0.000 0.000 0.523 816 M N -0.771 118.736 119.600 -0.156 0.000 2.557 816 M HA 0.231 4.712 4.480 0.001 0.000 0.259 816 M C 0.812 177.056 176.300 -0.092 0.000 1.086 816 M CA 1.387 56.630 55.300 -0.095 0.000 1.096 816 M CB -0.212 32.349 32.600 -0.065 0.000 1.424 816 M HN 0.216 8.506 8.290 -0.000 0.000 0.488 817 L N 1.510 122.642 121.223 -0.151 0.000 2.872 817 L HA 0.211 4.551 4.340 0.001 0.000 0.245 817 L C 1.809 178.612 176.870 -0.111 0.000 1.211 817 L CA -0.303 54.443 54.840 -0.157 0.000 1.013 817 L CB -0.284 41.601 42.059 -0.291 0.000 1.326 817 L HN 0.385 8.615 8.230 -0.000 0.000 0.525 818 K N -0.773 119.565 120.400 -0.104 0.000 2.281 818 K HA -0.157 4.163 4.320 0.001 0.000 0.203 818 K C 0.902 177.475 176.600 -0.045 0.000 1.046 818 K CA 1.701 57.937 56.287 -0.086 0.000 0.938 818 K CB -0.265 32.183 32.500 -0.086 0.000 0.737 818 K HN 0.412 8.662 8.250 -0.000 0.000 0.458 819 N N 0.089 118.771 118.700 -0.030 0.000 2.280 819 N HA 0.029 4.770 4.740 0.001 0.000 0.192 819 N C -0.508 175.009 175.510 0.013 0.000 1.109 819 N CA -0.231 52.814 53.050 -0.008 0.000 0.855 819 N CB 0.404 38.886 38.487 -0.008 0.000 0.974 819 N HN 0.047 8.427 8.380 -0.000 0.000 0.482 820 K N 0.885 121.297 120.400 0.021 0.000 2.090 820 K HA 0.247 4.567 4.320 0.001 0.000 0.249 820 K C 0.022 176.670 176.600 0.080 0.000 0.995 820 K CA -0.169 56.161 56.287 0.072 0.000 0.914 820 K CB 0.732 33.306 32.500 0.123 0.000 1.057 820 K HN -0.167 8.083 8.250 -0.000 0.000 0.462 821 T N 2.566 117.180 114.554 0.101 0.000 2.851 821 T HA 0.273 4.624 4.350 0.001 0.000 0.298 821 T C 0.068 174.858 174.700 0.149 0.000 0.977 821 T CA -0.262 61.899 62.100 0.101 0.000 1.126 821 T CB 0.230 69.147 68.868 0.081 0.000 0.916 821 T HN 0.233 8.473 8.240 -0.000 0.000 0.529 822 R N 2.625 123.218 120.500 0.155 0.000 2.502 822 R HA 0.462 4.802 4.340 0.001 0.000 0.300 822 R C -0.919 175.510 176.300 0.216 0.000 0.984 822 R CA -0.755 55.490 56.100 0.242 0.000 0.882 822 R CB 1.300 31.778 30.300 0.296 0.000 1.180 822 R HN 0.433 8.703 8.270 -0.000 0.000 0.444 823 I N 4.448 125.147 120.570 0.215 0.000 2.339 823 I HA 0.254 4.425 4.170 0.001 0.000 0.290 823 I C -0.598 175.683 176.117 0.273 0.000 0.994 823 I CA -0.846 60.557 61.300 0.172 0.000 1.191 823 I CB 1.364 39.425 38.000 0.102 0.000 1.343 823 I HN 0.467 8.677 8.210 -0.000 0.000 0.458 824 L N 8.648 130.002 121.223 0.218 0.000 2.356 824 L HA 0.431 4.771 4.340 0.001 0.000 0.264 824 L C -0.461 176.495 176.870 0.143 0.000 1.029 824 L CA -0.360 54.618 54.840 0.230 0.000 0.897 824 L CB 1.160 43.319 42.059 0.167 0.000 1.256 824 L HN 0.273 8.503 8.230 -0.000 0.000 0.444 825 V N 3.810 123.817 119.914 0.156 0.000 2.572 825 V HA 0.433 4.554 4.120 0.001 0.000 0.291 825 V C 0.587 176.751 176.094 0.115 0.000 1.039 825 V CA 0.279 62.647 62.300 0.113 0.000 1.055 825 V CB 0.984 32.884 31.823 0.129 0.000 0.969 825 V HN 0.860 9.050 8.190 -0.000 0.000 0.482 826 T N 2.862 117.476 114.554 0.098 0.000 2.932 826 T HA 0.331 4.681 4.350 0.001 0.000 0.318 826 T C 0.445 175.250 174.700 0.175 0.000 1.265 826 T CA -0.486 61.666 62.100 0.087 0.000 1.036 826 T CB 1.231 70.131 68.868 0.053 0.000 1.209 826 T HN 0.908 9.148 8.240 -0.000 0.000 0.484 827 H N 1.481 120.684 119.070 0.221 0.000 2.539 827 H HA 0.364 4.921 4.556 0.001 0.000 0.269 827 H C 0.513 176.029 175.328 0.313 0.000 0.980 827 H CA -0.295 55.934 56.048 0.302 0.000 1.152 827 H CB 0.344 30.224 29.762 0.197 0.000 1.407 827 H HN 0.299 8.579 8.280 -0.000 0.000 0.564 828 S N 1.188 116.896 115.700 0.013 0.000 2.525 828 S HA 0.310 4.781 4.470 0.001 0.000 0.290 828 S C 1.300 175.994 174.600 0.157 0.000 1.152 828 S CA -0.889 57.332 58.200 0.034 0.000 1.072 828 S CB 1.130 64.248 63.200 -0.137 0.000 1.027 828 S HN 0.516 8.826 8.310 -0.000 0.000 0.500 829 M N 3.020 122.689 119.600 0.114 0.000 2.556 829 M HA 0.189 4.669 4.480 0.001 0.000 0.245 829 M C 1.435 177.718 176.300 -0.027 0.000 1.128 829 M CA 0.618 56.004 55.300 0.143 0.000 1.069 829 M CB -0.389 32.273 32.600 0.103 0.000 1.469 829 M HN 0.464 8.754 8.290 -0.000 0.000 0.494 830 S N 0.729 116.330 115.700 -0.165 0.000 2.374 830 S HA -0.144 4.326 4.470 0.001 0.000 0.227 830 S C 0.946 175.082 174.600 -0.773 0.000 1.037 830 S CA 1.596 59.504 58.200 -0.487 0.000 1.024 830 S CB -0.446 62.377 63.200 -0.629 0.000 0.861 830 S HN 0.723 9.033 8.310 -0.000 0.000 0.456 831 Y N 0.194 120.318 120.300 -0.294 0.000 2.531 831 Y HA 0.428 4.978 4.550 0.001 0.000 0.249 831 Y C 1.454 177.189 175.900 -0.275 0.000 1.168 831 Y CA -0.509 57.297 58.100 -0.489 0.000 1.226 831 Y CB -0.237 37.636 38.460 -0.978 0.000 1.177 831 Y HN 0.100 8.380 8.280 -0.000 0.000 0.527 832 L N 0.640 121.836 121.223 -0.047 0.000 2.083 832 L HA -0.125 4.215 4.340 0.001 0.000 0.209 832 L C -0.587 176.221 176.870 -0.102 0.000 1.083 832 L CA 1.059 55.936 54.840 0.062 0.000 0.752 832 L CB -1.433 40.837 42.059 0.351 0.000 0.899 832 L HN 0.134 8.364 8.230 -0.000 0.000 0.433 833 P HA -0.165 4.255 4.420 -0.000 0.000 0.225 833 P C 1.113 178.322 177.300 -0.152 0.000 1.148 833 P CA 1.196 63.967 63.100 -0.548 0.000 0.779 833 P CB 0.024 31.325 31.700 -0.666 0.000 0.780 834 Q N -0.873 118.890 119.800 -0.060 0.000 2.319 834 Q HA 0.102 4.442 4.340 0.001 0.000 0.202 834 Q C 0.723 176.810 176.000 0.144 0.000 0.896 834 Q CA -0.067 55.781 55.803 0.076 0.000 0.942 834 Q CB 0.276 29.116 28.738 0.170 0.000 1.083 834 Q HN 0.200 8.470 8.270 -0.000 0.000 0.510 835 V N -2.214 117.767 119.914 0.112 0.000 3.170 835 V HA 0.191 4.311 4.120 0.001 0.000 0.309 835 V C 0.549 176.682 176.094 0.066 0.000 1.071 835 V CA -0.558 61.806 62.300 0.108 0.000 1.063 835 V CB 1.271 33.155 31.823 0.101 0.000 1.123 835 V HN -0.070 8.120 8.190 -0.000 0.000 0.464 836 D N 0.704 121.135 120.400 0.052 0.000 2.137 836 D HA 0.132 4.772 4.640 0.001 0.000 0.202 836 D C 0.452 176.763 176.300 0.019 0.000 0.970 836 D CA 1.337 55.358 54.000 0.036 0.000 0.837 836 D CB 0.336 41.156 40.800 0.034 0.000 0.981 836 D HN 0.459 8.829 8.370 -0.000 0.000 0.475 837 V N 0.771 120.688 119.914 0.005 0.000 2.971 837 V HA 0.390 4.510 4.120 0.001 0.000 0.309 837 V C -0.530 175.524 176.094 -0.067 0.000 1.130 837 V CA -0.825 61.456 62.300 -0.031 0.000 0.964 837 V CB 3.005 34.817 31.823 -0.018 0.000 1.029 837 V HN -0.118 8.072 8.190 -0.000 0.000 0.427 838 I N 4.007 124.494 120.570 -0.139 0.000 2.433 838 I HA 0.528 4.698 4.170 0.001 0.000 0.292 838 I C -0.818 175.180 176.117 -0.198 0.000 1.001 838 I CA -0.476 60.703 61.300 -0.203 0.000 1.119 838 I CB 1.976 39.733 38.000 -0.406 0.000 1.289 838 I HN 0.406 8.616 8.210 -0.000 0.000 0.438 839 I N 6.557 127.018 120.570 -0.183 0.000 2.330 839 I HA 0.321 4.491 4.170 0.001 0.000 0.289 839 I C -0.490 175.535 176.117 -0.152 0.000 1.001 839 I CA -0.792 60.400 61.300 -0.181 0.000 1.193 839 I CB 1.650 39.489 38.000 -0.269 0.000 1.345 839 I HN 0.186 8.396 8.210 -0.000 0.000 0.461 840 V N 7.369 127.223 119.914 -0.100 0.000 2.394 840 V HA 0.432 4.552 4.120 0.001 0.000 0.282 840 V C 0.259 176.337 176.094 -0.026 0.000 1.031 840 V CA -0.405 61.863 62.300 -0.052 0.000 0.881 840 V CB 1.421 33.271 31.823 0.045 0.000 0.982 840 V HN 0.674 8.864 8.190 -0.000 0.000 0.451 841 M N 3.224 122.807 119.600 -0.028 0.000 2.537 841 M HA 0.639 5.120 4.480 0.001 0.000 0.324 841 M C -0.267 176.049 176.300 0.027 0.000 1.187 841 M CA -0.251 55.049 55.300 -0.000 0.000 0.993 841 M CB 2.154 34.748 32.600 -0.010 0.000 1.666 841 M HN 0.631 8.921 8.290 -0.000 0.000 0.461 842 S N 0.013 115.734 115.700 0.036 0.000 2.562 842 S HA 0.560 5.031 4.470 0.001 0.000 0.274 842 S C 0.054 174.676 174.600 0.037 0.000 1.160 842 S CA 0.196 58.418 58.200 0.036 0.000 0.933 842 S CB 1.378 64.614 63.200 0.059 0.000 1.100 842 S HN 1.146 9.456 8.310 -0.000 0.000 0.468 843 G N 2.607 111.424 108.800 0.029 0.000 2.305 843 G HA2 0.042 4.003 3.960 0.001 0.000 0.287 843 G HA3 0.042 4.003 3.960 0.001 0.000 0.287 843 G C 1.345 176.275 174.900 0.051 0.000 1.036 843 G CA 0.998 46.120 45.100 0.038 0.000 0.887 843 G HN 2.287 10.577 8.290 -0.000 0.000 0.505 844 G N -1.829 107.005 108.800 0.057 0.000 2.148 844 G HA2 -0.258 3.702 3.960 0.001 0.000 0.254 844 G HA3 -0.258 3.702 3.960 0.001 0.000 0.254 844 G C 0.278 175.223 174.900 0.075 0.000 0.981 844 G CA 1.337 46.481 45.100 0.073 0.000 0.670 844 G HN 1.055 9.345 8.290 -0.000 0.000 0.528 845 K N -0.845 119.593 120.400 0.062 0.000 2.400 845 K HA 0.702 5.022 4.320 0.001 0.000 0.246 845 K C -0.148 176.484 176.600 0.054 0.000 0.995 845 K CA -1.144 55.182 56.287 0.065 0.000 0.840 845 K CB 1.914 34.448 32.500 0.057 0.000 1.293 845 K HN 0.094 8.344 8.250 -0.000 0.000 0.445 846 I N 1.630 122.234 120.570 0.058 0.000 2.325 846 I HA 0.025 4.196 4.170 0.001 0.000 0.291 846 I C 0.863 177.004 176.117 0.040 0.000 1.019 846 I CA 0.171 61.493 61.300 0.037 0.000 1.302 846 I CB 1.576 39.602 38.000 0.044 0.000 1.401 846 I HN 0.665 8.874 8.210 -0.000 0.000 0.485 847 S N 4.782 120.504 115.700 0.036 0.000 2.404 847 S HA 0.018 4.488 4.470 0.001 0.000 0.223 847 S C 0.296 174.920 174.600 0.041 0.000 1.040 847 S CA 0.407 58.635 58.200 0.047 0.000 0.957 847 S CB 0.033 63.273 63.200 0.066 0.000 0.826 847 S HN 0.835 9.145 8.310 -0.000 0.000 0.491 848 E N -0.640 119.576 120.200 0.026 0.000 2.409 848 E HA 0.551 4.902 4.350 0.001 0.000 0.280 848 E C -1.743 174.844 176.600 -0.022 0.000 1.079 848 E CA -0.816 55.592 56.400 0.014 0.000 0.840 848 E CB 0.981 30.699 29.700 0.029 0.000 1.309 848 E HN 0.057 8.417 8.360 -0.000 0.000 0.447 849 M N 0.687 120.270 119.600 -0.030 0.000 2.433 849 M HA 0.757 5.237 4.480 0.001 0.000 0.290 849 M C -0.447 175.817 176.300 -0.060 0.000 1.173 849 M CA -0.383 54.881 55.300 -0.060 0.000 0.905 849 M CB 2.687 35.267 32.600 -0.033 0.000 1.692 849 M HN 0.939 9.229 8.290 -0.000 0.000 0.462 850 G N 0.649 109.392 108.800 -0.096 0.000 2.315 850 G HA2 0.354 4.314 3.960 0.001 0.000 0.294 850 G HA3 0.354 4.314 3.960 0.001 0.000 0.294 850 G C -1.227 173.608 174.900 -0.108 0.000 1.300 850 G CA -0.523 44.531 45.100 -0.077 0.000 0.843 850 G HN 0.862 9.152 8.290 -0.000 0.000 0.527 851 S N -0.950 114.712 115.700 -0.062 0.000 2.589 851 S HA 0.264 4.734 4.470 0.001 0.000 0.265 851 S C 1.263 175.820 174.600 -0.072 0.000 1.342 851 S CA 0.481 58.660 58.200 -0.035 0.000 1.005 851 S CB 0.856 64.068 63.200 0.020 0.000 0.909 851 S HN 1.281 9.591 8.310 -0.000 0.000 0.555 852 Y N 1.421 121.637 120.300 -0.140 0.000 2.114 852 Y HA -0.219 4.331 4.550 0.001 0.000 0.282 852 Y C 2.644 178.559 175.900 0.026 0.000 1.165 852 Y CA 2.397 60.434 58.100 -0.104 0.000 1.148 852 Y CB -0.343 38.128 38.460 0.018 0.000 0.972 852 Y HN 0.649 8.929 8.280 -0.000 0.000 0.504 853 Q N 0.352 120.248 119.800 0.161 0.000 2.119 853 Q HA -0.178 4.162 4.340 0.001 0.000 0.201 853 Q C 2.115 178.116 176.000 0.002 0.000 0.972 853 Q CA 1.873 57.727 55.803 0.085 0.000 0.847 853 Q CB -0.265 28.552 28.738 0.131 0.000 0.903 853 Q HN 0.692 8.962 8.270 -0.000 0.000 0.433 854 E N 0.389 120.585 120.200 -0.006 0.000 2.031 854 E HA -0.107 4.243 4.350 0.001 0.000 0.193 854 E C 2.184 178.768 176.600 -0.026 0.000 0.994 854 E CA 0.764 57.156 56.400 -0.014 0.000 0.800 854 E CB -0.051 29.638 29.700 -0.017 0.000 0.752 854 E HN 0.230 8.590 8.360 -0.000 0.000 0.447 855 L N 0.524 121.707 121.223 -0.068 0.000 2.093 855 L HA -0.148 4.192 4.340 0.001 0.000 0.208 855 L C 2.525 179.459 176.870 0.106 0.000 1.085 855 L CA 0.268 55.099 54.840 -0.015 0.000 0.755 855 L CB -0.302 41.652 42.059 -0.174 0.000 0.904 855 L HN 0.198 8.428 8.230 -0.000 0.000 0.435 856 L N 0.552 121.804 121.223 0.049 0.000 2.042 856 L HA -0.162 4.179 4.340 0.001 0.000 0.210 856 L C 2.628 179.493 176.870 -0.009 0.000 1.076 856 L CA 2.082 56.919 54.840 -0.004 0.000 0.749 856 L CB -0.707 41.221 42.059 -0.219 0.000 0.893 856 L HN 0.145 8.375 8.230 -0.000 0.000 0.432 857 A N -0.743 122.072 122.820 -0.008 0.000 1.969 857 A HA -0.177 4.143 4.320 0.001 0.000 0.218 857 A C 2.361 179.950 177.584 0.008 0.000 1.169 857 A CA 1.392 53.429 52.037 0.000 0.000 0.635 857 A CB -0.538 18.465 19.000 0.005 0.000 0.810 857 A HN 0.502 8.652 8.150 -0.000 0.000 0.445 858 R N -1.049 119.462 120.500 0.018 0.000 2.193 858 R HA -0.109 4.231 4.340 0.001 0.000 0.229 858 R C 0.193 176.507 176.300 0.023 0.000 1.110 858 R CA 0.767 56.881 56.100 0.023 0.000 0.988 858 R CB -0.288 30.032 30.300 0.033 0.000 0.871 858 R HN 0.462 8.732 8.270 -0.000 0.000 0.458 859 D N -0.555 119.858 120.400 0.022 0.000 2.697 859 D HA -0.138 4.502 4.640 0.001 0.000 0.235 859 D C 0.026 176.337 176.300 0.019 0.000 1.167 859 D CA 1.022 55.026 54.000 0.007 0.000 0.656 859 D CB -0.987 39.810 40.800 -0.006 0.000 1.025 859 D HN 0.464 8.834 8.370 -0.000 0.000 0.419 860 G N -0.702 108.126 108.800 0.046 0.000 3.341 860 G HA2 0.594 4.554 3.960 0.001 0.000 0.177 860 G HA3 0.594 4.554 3.960 0.001 0.000 0.177 860 G C 1.125 176.075 174.900 0.082 0.000 1.236 860 G CA 0.305 45.440 45.100 0.058 0.000 0.888 860 G HN 0.442 8.732 8.290 -0.000 0.000 0.644 861 A N -0.791 122.100 122.820 0.118 0.000 1.933 861 A HA 0.097 4.417 4.320 0.001 0.000 0.218 861 A C 2.149 179.873 177.584 0.234 0.000 1.175 861 A CA 1.894 54.029 52.037 0.163 0.000 0.628 861 A CB -0.614 18.480 19.000 0.156 0.000 0.814 861 A HN 0.519 8.669 8.150 -0.000 0.000 0.444 862 F N 1.054 121.048 119.950 0.074 0.000 2.146 862 F HA -0.018 4.510 4.527 0.000 0.000 0.298 862 F C 2.510 178.380 175.800 0.117 0.000 1.096 862 F CA 0.899 58.959 58.000 0.100 0.000 1.275 862 F CB -0.637 38.373 39.000 0.016 0.000 1.008 862 F HN 0.241 8.541 8.300 -0.000 0.000 0.480 863 A N -0.229 122.560 122.820 -0.051 0.000 1.940 863 A HA -0.238 4.083 4.320 0.001 0.000 0.219 863 A C 2.096 179.566 177.584 -0.190 0.000 1.176 863 A CA 1.908 53.834 52.037 -0.185 0.000 0.631 863 A CB -0.919 18.032 19.000 -0.082 0.000 0.814 863 A HN 0.454 8.604 8.150 -0.000 0.000 0.446 864 E N -0.711 119.428 120.200 -0.102 0.000 2.072 864 E HA -0.160 4.191 4.350 0.001 0.000 0.191 864 E C 1.611 178.022 176.600 -0.315 0.000 0.985 864 E CA 1.356 57.648 56.400 -0.181 0.000 0.801 864 E CB -0.511 29.136 29.700 -0.088 0.000 0.750 864 E HN 0.560 8.920 8.360 -0.000 0.000 0.452 865 F N 0.806 120.629 119.950 -0.212 0.000 2.091 865 F HA -0.200 4.327 4.527 0.000 0.000 0.299 865 F C 1.780 177.446 175.800 -0.224 0.000 1.103 865 F CA 1.713 59.662 58.000 -0.086 0.000 1.228 865 F CB -0.365 38.704 39.000 0.115 0.000 0.984 865 F HN 0.056 8.356 8.300 -0.000 0.000 0.477 866 L N -0.092 120.850 121.223 -0.469 0.000 2.046 866 L HA -0.201 4.140 4.340 0.001 0.000 0.208 866 L C 2.725 179.345 176.870 -0.415 0.000 1.077 866 L CA 1.516 56.048 54.840 -0.514 0.000 0.747 866 L CB -0.678 41.113 42.059 -0.447 0.000 0.896 866 L HN 0.092 8.322 8.230 -0.000 0.000 0.432 867 R N -1.060 119.222 120.500 -0.363 0.000 2.115 867 R HA -0.064 4.277 4.340 0.001 0.000 0.226 867 R C 1.763 177.870 176.300 -0.321 0.000 1.100 867 R CA 1.684 57.610 56.100 -0.290 0.000 0.980 867 R CB -0.023 30.134 30.300 -0.239 0.000 0.875 867 R HN 0.354 8.624 8.270 -0.000 0.000 0.445 868 T N -1.722 112.546 114.554 -0.478 0.000 2.989 868 T HA 0.102 4.452 4.350 0.001 0.000 0.250 868 T C 0.674 175.165 174.700 -0.350 0.000 0.981 868 T CA 0.194 62.005 62.100 -0.481 0.000 0.980 868 T CB 0.165 68.610 68.868 -0.705 0.000 1.133 868 T HN 0.099 8.339 8.240 -0.000 0.000 0.489 869 Y N 1.707 121.850 120.300 -0.262 0.000 2.559 869 Y HA 0.667 5.217 4.550 0.001 0.000 0.279 869 Y C 1.452 177.119 175.900 -0.388 0.000 1.117 869 Y CA -1.397 56.565 58.100 -0.231 0.000 1.263 869 Y CB -0.750 37.698 38.460 -0.020 0.000 1.230 869 Y HN 0.100 8.380 8.280 -0.000 0.000 0.528 870 A N 0.964 123.349 122.820 -0.725 0.000 2.540 870 A HA 0.342 4.662 4.320 0.001 0.000 0.239 870 A C 1.083 178.569 177.584 -0.163 0.000 1.061 870 A CA 0.885 52.568 52.037 -0.590 0.000 0.758 870 A CB -0.151 18.413 19.000 -0.726 0.000 0.991 870 A HN 0.444 8.594 8.150 -0.000 0.000 0.502 871 S N -0.437 115.294 115.700 0.050 0.000 2.820 871 S HA 0.569 5.040 4.470 0.001 0.000 0.265 871 S C 0.301 175.018 174.600 0.194 0.000 1.043 871 S CA 1.157 59.402 58.200 0.075 0.000 1.245 871 S CB -0.769 62.437 63.200 0.010 0.000 1.187 871 S HN 2.470 10.780 8.310 -0.000 0.000 0.673 872 H N 0.000 119.235 119.070 0.276 0.000 2.539 872 H HA 0.000 4.556 4.556 0.001 0.000 0.296 872 H CA 0.000 56.048 56.048 -0.000 0.000 1.023 872 H CB 0.000 29.762 29.762 -0.000 0.000 1.292 872 H HN 0.000 8.280 8.280 -0.000 0.000 0.496