#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kul n ARG 628 N 0.00 1.87 -2.52 1.09 1.74 -1.26 -4.92 116.66 112.67 3kul n ARG 628 Ca 0.00 -1.80 -0.42 0.00 -0.77 0.00 0.00 57.85 54.86 3kul n ARG 628 Cb 0.00 -1.34 -0.03 0.00 -1.02 0.00 0.00 32.46 30.07 3kul n ARG 628 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 3kul s GLU 629 N -1.21 4.47 -0.20 5.56 2.56 -1.26 -0.67 118.70 127.95 3kul s GLU 629 Ca 0.25 1.65 -0.05 0.00 0.00 0.00 0.00 54.97 56.82 3kul s GLU 629 Cb 0.15 -3.39 -0.02 0.00 2.00 0.00 0.00 34.13 32.87 3kul s GLU 629 CO 0.21 -0.19 -0.00 0.42 -0.56 0.00 0.00 175.26 175.14 3kul s ILE 630 N 1.08 3.91 0.06 -3.70 1.01 0.20 -4.89 121.20 118.87 3kul s ILE 630 Ca 0.56 -0.33 -0.30 0.00 0.00 0.00 0.00 60.65 60.58 3kul s ILE 630 Cb -0.26 -2.77 -0.09 0.00 0.01 0.00 0.00 42.46 39.35 3kul s ILE 630 CO 0.29 0.42 1.85 -0.70 0.00 0.00 0.00 174.94 176.80 3kul s GLU 631 N 1.07 4.15 0.46 2.79 2.56 -1.26 -4.57 118.70 123.90 3kul s GLU 631 Ca 0.02 2.53 0.18 0.00 0.00 0.00 0.00 54.97 57.71 3kul s GLU 631 Cb -0.14 -3.88 1.14 0.00 2.00 0.00 0.00 34.13 33.25 3kul s GLU 631 CO 0.01 -0.88 1.94 0.00 -0.56 0.00 0.00 175.26 175.78 3kul h ALA 632 N 9.54 2.22 0.00 6.30 0.00 -1.97 0.26 119.26 135.61 3kul h ALA 632 Ca -0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3kul h ALA 632 Cb 1.22 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3kul h ALA 632 CO 0.94 -0.40 0.00 -1.13 0.00 0.00 0.00 179.25 178.66 3kul n SER 633 N -4.45 0.01 0.02 0.00 3.41 -1.26 -1.47 113.62 109.89 3kul n SER 633 Ca 0.13 0.51 0.12 0.00 -0.26 0.00 0.00 58.87 59.37 3kul n SER 633 Cb 0.54 -0.51 0.30 0.00 -0.26 0.00 0.00 64.21 64.29 3kul n SER 633 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3kul n ARG 634 N -1.52 0.10 -3.57 4.33 1.74 0.08 -4.84 116.66 112.99 3kul n ARG 634 Ca 0.00 0.04 -0.37 0.00 -0.77 0.00 0.00 57.85 56.75 3kul n ARG 634 Cb 0.00 -1.57 -0.09 0.00 -1.02 0.00 0.00 32.46 29.78 3kul n ARG 634 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3kul s ILE 635 N -3.06 5.31 -0.22 0.55 1.01 -0.54 -0.97 121.20 123.27 3kul s ILE 635 Ca 0.10 0.36 -0.08 0.00 0.00 0.00 0.00 60.65 61.04 3kul s ILE 635 Cb 0.16 -3.58 -0.04 0.00 0.01 0.00 0.00 42.46 39.02 3kul s ILE 635 CO 0.67 0.32 0.08 -2.28 0.00 0.00 0.00 174.94 173.72 3kul s HIS 636 N 1.11 3.16 -0.16 3.97 5.65 0.24 -5.00 115.29 124.27 3kul s HIS 636 Ca 0.12 -0.16 -0.05 0.00 0.25 0.00 0.00 55.06 55.21 3kul s HIS 636 Cb -0.14 -2.18 -0.03 0.00 -1.18 0.00 0.00 32.58 29.05 3kul s HIS 636 CO 0.05 -0.12 0.02 0.42 -0.65 0.00 0.00 174.74 174.45 3kul s ILE 637 N 1.10 4.38 -0.02 0.89 1.01 -1.26 -0.50 121.20 126.80 3kul s ILE 637 Ca 0.04 -0.19 0.04 0.00 0.00 0.00 0.00 60.65 60.55 3kul s ILE 637 Cb -0.14 -2.94 -0.06 0.00 0.01 0.00 0.00 42.46 39.33 3kul s ILE 637 CO 0.03 0.50 0.05 -0.62 0.00 0.00 0.00 174.94 174.90 3kul n GLU 638 N 3.32 1.77 -3.79 2.79 1.02 0.05 -4.97 120.64 120.84 3kul n GLU 638 Ca -0.17 -0.02 -0.13 0.00 -0.02 0.00 0.00 57.16 56.82 3kul n GLU 638 Cb 0.53 -1.10 -0.12 0.00 -0.02 0.00 0.00 31.44 30.72 3kul n GLU 638 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 3kul s LYS 639 N -2.19 0.21 -0.04 3.49 2.20 -0.98 -5.00 119.74 117.44 3kul s LYS 639 Ca -0.02 0.33 -0.01 0.00 -0.36 0.00 0.00 55.97 55.91 3kul s LYS 639 Cb 0.02 0.04 0.03 0.00 -1.51 0.00 0.00 37.83 36.41 3kul s LYS 639 CO 0.17 -0.06 0.03 0.42 -0.36 0.00 0.00 175.35 175.54 3kul s ILE 640 N 0.41 0.06 0.16 5.43 1.01 -1.26 -1.32 121.20 125.68 3kul s ILE 640 Ca -0.02 0.25 0.08 0.00 0.00 0.00 0.00 60.65 60.96 3kul s ILE 640 Cb -0.04 -0.24 -0.04 0.00 0.01 0.00 0.00 42.46 42.15 3kul s ILE 640 CO -0.02 0.17 -0.18 -0.63 0.00 0.00 0.00 174.94 174.28 3kul s ILE 641 N 1.65 1.77 0.55 2.92 1.01 0.13 -4.97 121.20 124.26 3kul s ILE 641 Ca -0.01 -1.91 -0.17 0.00 0.00 0.00 0.00 60.65 58.56 3kul s ILE 641 Cb -0.13 -1.83 -0.06 0.00 0.01 0.00 0.00 42.46 40.46 3kul s ILE 641 CO -0.03 -0.34 1.03 -0.83 0.00 0.00 0.00 174.94 174.78 3kul s GLY 642 N -2.67 2.19 -0.24 6.18 0.00 -1.26 -0.82 107.32 110.68 3kul s GLY 642 Ca 0.15 0.38 -0.02 0.00 0.00 0.00 0.00 44.72 45.23 3kul s GLY 642 CO 0.06 0.69 0.36 -0.56 0.00 0.00 0.00 173.10 173.65 3kul s SER 643 N -2.70 0.46 0.83 1.64 0.01 0.08 -4.70 113.70 109.32 3kul s SER 643 Ca 0.63 0.08 0.00 0.00 1.31 0.00 0.00 55.95 57.97 3kul s SER 643 Cb -0.14 0.99 0.00 0.00 0.21 0.00 0.00 66.02 67.08 3kul s SER 643 CO 0.32 -0.31 0.00 0.61 0.41 0.00 0.00 173.24 174.27 3kul n GLY 644 N 5.36 0.97 0.00 3.44 0.00 -1.26 -0.72 105.19 112.98 3kul n GLY 644 Ca -0.03 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.33 3kul n GLY 644 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3kul n ASP 645 N -3.17 0.00 -3.19 1.61 5.68 -1.26 -4.22 116.55 112.00 3kul n ASP 645 Ca 0.00 0.48 -0.24 0.00 -0.50 0.00 0.00 54.79 54.53 3kul n ASP 645 Cb 0.00 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 39.93 3kul n ASP 645 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 3kul n SER 646 N -0.79 2.17 -4.45 -1.12 3.41 -1.26 -5.07 113.62 106.51 3kul n SER 646 Ca 0.00 -3.18 -0.24 0.00 -0.26 0.00 0.00 58.87 55.19 3kul n SER 646 Cb 0.00 -0.62 -0.10 0.00 -0.26 0.00 0.00 64.21 63.22 3kul n SER 646 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3kul s GLY 647 N -2.35 1.83 -0.06 5.00 0.00 0.10 -2.02 107.32 109.83 3kul s GLY 647 Ca 0.41 -1.82 -0.08 0.00 0.00 0.00 0.00 44.72 43.23 3kul s GLY 647 CO -0.09 -1.90 0.21 1.85 0.00 0.00 0.00 173.10 173.17 3kul s GLU 648 N -3.34 0.31 -0.07 2.90 2.12 -0.62 -0.74 118.70 119.26 3kul s GLU 648 Ca 0.28 0.15 0.03 0.00 0.36 0.00 0.00 54.97 55.80 3kul s GLU 648 Cb -0.05 0.14 0.00 0.00 0.26 0.00 0.00 34.13 34.49 3kul s GLU 648 CO 0.14 -0.05 -0.18 0.08 -0.54 0.00 0.00 175.26 174.70 3kul s VAL 649 N -0.21 1.56 0.08 3.70 1.01 -0.00 -1.13 120.40 125.40 3kul s VAL 649 Ca -0.03 -0.74 0.07 0.00 0.00 0.00 0.00 61.98 61.27 3kul s VAL 649 Cb -0.03 -1.37 -0.03 0.00 0.00 0.00 0.00 36.38 34.95 3kul s VAL 649 CO 0.01 0.45 -0.18 0.00 0.00 0.00 0.00 175.10 175.38 3kul s TYR 651 N -1.13 2.21 -0.05 0.00 2.02 -0.44 0.13 117.35 120.09 3kul s TYR 651 Ca 0.03 -0.39 0.00 0.00 -0.37 0.00 0.00 57.07 56.34 3kul s TYR 651 Cb -0.10 -1.25 0.00 0.00 -0.40 0.00 0.00 41.96 40.22 3kul s TYR 651 CO 0.03 0.24 0.00 0.41 -1.57 0.00 0.00 175.55 174.66 3kul n GLY 652 N 1.27 -0.88 3.31 0.71 0.00 -0.74 -0.77 105.19 108.09 3kul n GLY 652 Ca -0.18 -0.10 -0.09 0.00 0.00 0.00 0.00 46.02 45.65 3kul n GLY 652 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3kul s ARG 653 N -0.68 1.08 -0.15 1.61 1.70 0.35 -0.97 118.95 121.88 3kul s ARG 653 Ca 0.00 -1.09 0.02 0.00 -0.47 0.00 0.00 55.73 54.19 3kul s ARG 653 Cb 0.00 0.38 0.01 0.00 -0.57 0.00 0.00 34.95 34.77 3kul s ARG 653 CO 0.00 -0.39 -0.20 -1.17 -1.08 0.00 0.00 175.30 172.46 3kul s LEU 654 N -2.93 2.05 0.08 -1.89 2.96 0.73 -0.59 118.68 119.09 3kul s LEU 654 Ca 0.13 -0.60 -0.31 0.00 -0.22 0.00 0.00 54.13 53.14 3kul s LEU 654 Cb 0.04 -1.41 -0.07 0.00 0.50 0.00 0.00 46.19 45.25 3kul s LEU 654 CO -0.04 0.04 1.29 -0.13 -1.32 0.00 0.00 176.35 176.19 3kul s ARG 655 N 1.05 4.38 -0.15 1.98 0.52 -0.15 -0.29 118.95 126.29 3kul s ARG 655 Ca -0.02 1.90 0.02 0.00 -0.52 0.00 0.00 55.73 57.11 3kul s ARG 655 Cb -0.14 -3.32 0.02 0.00 0.52 0.00 0.00 34.95 32.02 3kul s ARG 655 CO -0.06 -0.35 -0.19 0.08 0.02 0.00 0.00 175.30 174.79 3kul s VAL 656 N 1.15 1.93 -0.08 3.52 1.01 -1.26 -4.93 120.40 121.73 3kul s VAL 656 Ca 0.61 -0.88 -0.36 0.00 0.00 0.00 0.00 61.98 61.36 3kul s VAL 656 Cb -0.32 -1.74 -0.13 0.00 0.00 0.00 0.00 36.38 34.19 3kul s VAL 656 CO 0.29 0.52 1.76 -2.65 0.00 0.00 0.00 175.10 175.03 3kul n PRO 657 N 4.38 1.85 -1.07 2.72 -0.02 -1.26 -2.22 135.00 139.39 3kul n PRO 657 Ca -0.20 0.68 -0.03 0.00 -2.02 0.00 0.00 63.50 61.93 3kul n PRO 657 Cb 0.51 -2.46 -0.01 0.00 -0.02 0.00 0.00 33.50 31.52 3kul n PRO 657 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kul n GLY 658 N 4.07 0.59 3.17 -1.23 0.00 -1.26 -5.00 105.19 105.52 3kul n GLY 658 Ca 0.22 -0.72 -0.08 0.00 0.00 0.00 0.00 46.02 45.44 3kul n GLY 658 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kul s GLN 659 N -1.84 0.77 0.45 1.61 1.11 -0.94 -5.14 119.66 115.68 3kul s GLN 659 Ca 0.00 -1.08 -0.22 0.00 0.01 0.00 0.00 55.36 54.08 3kul s GLN 659 Cb 0.00 0.29 -0.11 0.00 -1.01 0.00 0.00 33.01 32.18 3kul s GLN 659 CO 0.00 -0.22 0.63 -2.13 0.01 0.00 0.00 175.29 173.59 3kul n ARG 660 N -0.01 0.70 -1.77 2.91 0.63 -1.26 -4.45 116.66 113.42 3kul n ARG 660 Ca -0.14 0.26 -0.38 0.00 -0.92 0.00 0.00 57.85 56.67 3kul n ARG 660 Cb 0.62 -1.65 0.05 0.00 0.45 0.00 0.00 32.46 31.92 3kul n ARG 660 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 3kul s ASP 661 N -0.96 5.16 -0.24 6.15 1.01 -1.26 -4.43 116.67 122.09 3kul s ASP 661 Ca 0.65 2.76 -0.08 0.00 0.71 0.00 0.00 52.55 56.59 3kul s ASP 661 Cb -0.56 -2.63 -0.03 0.00 1.01 0.00 0.00 42.92 40.70 3kul s ASP 661 CO 0.57 -1.64 0.08 -0.69 0.21 0.00 0.00 175.17 173.69 3kul s VAL 662 N -1.31 4.42 0.32 -1.27 1.01 0.61 -4.89 120.40 119.28 3kul s VAL 662 Ca 0.73 -0.14 -0.29 0.00 0.00 0.00 0.00 61.98 62.29 3kul s VAL 662 Cb -0.40 -3.06 -0.10 0.00 0.00 0.00 0.00 36.38 32.81 3kul s VAL 662 CO 0.47 0.35 1.37 -2.16 0.00 0.00 0.00 175.10 175.13 3kul s PRO 663 N 1.47 4.29 0.03 2.72 0.04 -1.26 -0.19 135.00 142.10 3kul s PRO 663 Ca 0.06 2.30 -0.03 0.00 0.04 0.00 0.00 61.00 63.37 3kul s PRO 663 Cb -0.15 -3.06 -0.02 0.00 0.04 0.00 0.00 34.50 31.31 3kul s PRO 663 CO 0.04 -0.31 0.04 0.14 0.04 0.00 0.00 177.00 176.95 3kul s VAL 664 N -0.85 0.14 0.07 -0.36 -7.23 -0.14 -2.68 120.40 109.35 3kul s VAL 664 Ca 0.52 -1.12 0.03 0.00 -1.81 0.00 0.00 61.98 59.60 3kul s VAL 664 Cb -0.42 -0.76 -0.04 0.00 0.56 0.00 0.00 36.38 35.72 3kul s VAL 664 CO 0.52 -0.62 0.06 0.00 -0.31 0.00 0.00 175.10 174.75 3kul s ALA 665 N -2.37 3.50 -0.00 1.32 0.00 -0.64 -1.79 121.76 121.78 3kul s ALA 665 Ca -0.07 -1.02 0.03 0.00 0.00 0.00 0.00 51.96 50.90 3kul s ALA 665 Cb -0.03 -1.40 -0.01 0.00 0.00 0.00 0.00 23.12 21.69 3kul s ALA 665 CO -0.04 0.73 -0.10 0.42 0.00 0.00 0.00 175.76 176.77 3kul s ILE 666 N -1.34 0.78 -0.09 0.00 1.01 0.34 -1.06 121.20 120.84 3kul s ILE 666 Ca 0.28 -0.46 0.04 0.00 0.00 0.00 0.00 60.65 60.51 3kul s ILE 666 Cb -0.12 -0.66 0.00 0.00 0.01 0.00 0.00 42.46 41.69 3kul s ILE 666 CO 0.20 0.20 -0.22 -0.75 0.00 0.00 0.00 174.94 174.37 3kul s LYS 667 N -0.29 2.82 0.11 2.79 2.20 -0.47 -0.60 119.74 126.30 3kul s LYS 667 Ca 0.03 -0.80 0.05 0.00 -0.36 0.00 0.00 55.97 54.89 3kul s LYS 667 Cb -0.04 -2.15 -0.04 0.00 -1.51 0.00 0.00 37.83 34.09 3kul s LYS 667 CO -0.00 0.16 -0.12 0.00 -0.36 0.00 0.00 175.35 175.02 3kul s ALA 668 N 0.39 1.33 0.04 3.13 0.00 -0.29 -0.74 121.76 125.61 3kul s ALA 668 Ca -0.18 -1.25 -0.27 0.00 0.00 0.00 0.00 51.96 50.26 3kul s ALA 668 Cb -0.18 -0.03 -0.05 0.00 0.00 0.00 0.00 23.12 22.87 3kul s ALA 668 CO 0.08 0.03 0.83 -0.51 0.00 0.00 0.00 175.76 176.20 3kul s LEU 669 N -2.48 4.43 0.53 0.00 1.43 -0.97 -1.58 118.68 120.03 3kul s LEU 669 Ca 0.08 1.52 -0.21 0.00 -1.03 0.00 0.00 54.13 54.48 3kul s LEU 669 Cb -0.04 -3.34 -0.06 0.00 0.03 0.00 0.00 46.19 42.79 3kul s LEU 669 CO 0.02 -0.06 1.22 -0.54 0.23 0.00 0.00 176.35 177.21 3kul s LYS 670 N 0.24 3.35 0.31 1.70 1.02 -0.85 -4.74 119.74 120.77 3kul s LYS 670 Ca 0.42 1.88 -0.27 0.00 0.02 0.00 0.00 55.97 58.02 3kul s LYS 670 Cb -0.21 -2.19 -0.14 0.00 -0.52 0.00 0.00 37.83 34.77 3kul s LYS 670 CO 0.25 -0.91 0.90 0.00 -0.92 0.00 0.00 175.35 174.67 3kul n ALA 671 N -1.01 -0.63 -0.95 5.17 0.00 -1.26 -4.57 120.51 117.27 3kul n ALA 671 Ca 0.10 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.90 3kul n ALA 671 Cb 0.48 -1.95 0.00 0.00 0.00 0.00 0.00 19.45 17.98 3kul n ALA 671 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kul n GLY 672 N 1.36 -2.65 3.58 0.00 0.00 -1.26 -5.14 105.19 101.09 3kul n GLY 672 Ca 0.11 -0.60 -0.06 0.00 0.00 0.00 0.00 46.02 45.47 3kul n GLY 672 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3kul s TYR 673 N 0.00 -0.24 0.50 1.61 -0.85 -1.26 -5.05 117.35 112.06 3kul s TYR 673 Ca 0.00 0.09 -0.19 0.00 -0.52 0.00 0.00 57.07 56.45 3kul s TYR 673 Cb 0.00 0.55 -0.08 0.00 0.38 0.00 0.00 41.96 42.82 3kul s TYR 673 CO 0.00 -0.52 1.01 0.95 -1.52 0.00 0.00 175.55 175.47 3kul s THR 674 N -2.97 4.12 0.09 -3.49 -4.23 -1.26 -4.90 115.64 103.01 3kul s THR 674 Ca 0.08 1.18 -0.27 0.00 -1.18 0.00 0.00 61.69 61.50 3kul s THR 674 Cb -0.01 -3.54 -0.10 0.00 1.34 0.00 0.00 72.50 70.19 3kul s THR 674 CO -0.06 -0.43 1.44 -0.33 -0.54 0.00 0.00 174.62 174.71 3kul h GLU 675 N 1.25 -0.43 0.00 3.99 4.39 -2.02 -1.29 114.58 120.47 3kul h GLU 675 Ca -0.48 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.25 3kul h GLU 675 Cb 1.20 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.95 3kul h GLU 675 CO 0.60 -0.29 0.00 0.54 -1.16 0.00 0.00 179.01 178.70 3kul n ARG 676 N -4.84 0.19 -0.03 2.33 5.12 -1.26 -3.39 116.66 114.78 3kul n ARG 676 Ca -0.05 0.07 -0.15 0.00 -1.93 0.00 0.00 57.85 55.80 3kul n ARG 676 Cb 0.30 -1.50 -0.12 0.00 -1.16 0.00 0.00 32.46 29.98 3kul n ARG 676 CO 0.00 0.00 0.00 -0.56 -1.93 0.00 0.00 177.63 175.14 3kul h GLN 677 N 0.00 0.13 -0.98 5.56 3.07 -1.64 -2.19 115.11 119.06 3kul h GLN 677 Ca 0.00 -0.14 0.11 0.00 0.09 0.00 0.00 58.65 58.71 3kul h GLN 677 Cb 0.31 0.04 -0.08 0.00 0.08 0.00 0.00 27.48 27.83 3kul h GLN 677 CO 0.00 0.91 0.62 -0.09 0.09 0.00 0.00 178.83 180.36 3kul h ARG 678 N -0.60 0.96 -0.38 0.06 2.43 -1.38 0.78 114.38 116.26 3kul h ARG 678 Ca -0.03 -0.06 -0.07 0.00 -0.81 0.00 0.00 59.98 59.02 3kul h ARG 678 Cb 0.98 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 30.30 3kul h ARG 678 CO 0.04 0.63 -0.02 -0.09 -1.51 0.00 0.00 179.97 179.02 3kul h ARG 679 N 0.99 0.69 -0.33 0.20 2.43 -1.61 -1.19 114.38 115.56 3kul h ARG 679 Ca 0.47 -0.23 0.03 0.00 -0.81 0.00 0.00 59.98 59.44 3kul h ARG 679 Cb 0.45 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.91 3kul h ARG 679 CO -0.24 0.80 0.14 -0.44 -1.51 0.00 0.00 179.97 178.72 3kul h ASP 680 N 0.51 0.18 0.02 -3.80 3.32 -0.85 -1.19 116.42 114.60 3kul h ASP 680 Ca 0.11 0.02 0.03 0.00 0.02 0.00 0.00 57.03 57.21 3kul h ASP 680 Cb 0.50 -0.01 -0.04 0.00 0.22 0.00 0.00 39.33 40.01 3kul h ASP 680 CO 0.02 0.14 -0.25 0.15 -1.72 0.00 0.00 179.24 177.59 3kul h PHE 681 N 0.30 -0.66 0.00 4.55 3.57 -0.68 -2.98 116.94 121.03 3kul h PHE 681 Ca 0.14 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.62 3kul h PHE 681 Cb 0.08 0.29 -0.01 0.00 2.79 0.00 0.00 35.95 39.11 3kul h PHE 681 CO -0.12 -0.34 -0.21 -0.07 -2.23 0.00 0.00 178.31 175.35 3kul h LEU 682 N -0.40 0.00 -1.53 0.59 3.38 -1.00 -2.48 115.31 113.87 3kul h LEU 682 Ca 0.06 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 3kul h LEU 682 Cb 0.47 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 3kul h LEU 682 CO -0.21 0.21 0.11 0.77 0.09 0.00 0.00 178.44 179.41 3kul h SER 683 N 0.00 0.38 -0.39 -0.43 4.64 -1.07 -0.86 113.55 115.83 3kul h SER 683 Ca -0.00 -0.03 0.03 0.00 -0.47 0.00 0.00 61.79 61.31 3kul h SER 683 Cb 0.72 -0.10 -0.03 0.00 -0.31 0.00 0.00 62.40 62.68 3kul h SER 683 CO 0.03 0.36 0.19 -0.08 -0.87 0.00 0.00 176.83 176.46 3kul h GLU 684 N 0.43 0.38 -0.51 4.77 4.81 -1.43 -1.45 114.58 121.58 3kul h GLU 684 Ca 0.11 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.28 3kul h GLU 684 Cb 0.10 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 3kul h GLU 684 CO -0.01 0.25 0.18 0.00 -0.73 0.00 0.00 179.01 178.70 3kul h ALA 685 N 1.20 1.35 -0.28 2.92 0.00 -1.40 -2.22 119.26 120.84 3kul h ALA 685 Ca 0.16 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3kul h ALA 685 Cb 0.07 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3kul h ALA 685 CO -0.11 0.48 0.12 1.03 0.00 0.00 0.00 179.25 180.76 3kul h SER 686 N 0.74 0.39 -0.05 0.00 0.87 -0.63 -1.56 113.55 113.29 3kul h SER 686 Ca 0.17 -0.16 -0.17 0.00 -1.23 0.00 0.00 61.79 60.40 3kul h SER 686 Cb 0.19 -0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 62.04 3kul h SER 686 CO -0.01 0.44 -0.58 0.16 -0.53 0.00 0.00 176.83 176.31 3kul h ILE 687 N 0.31 1.31 -0.85 2.23 3.07 -1.16 -3.16 117.51 119.26 3kul h ILE 687 Ca 0.09 -1.82 0.02 0.00 1.55 0.00 0.00 64.86 64.70 3kul h ILE 687 Cb 0.17 1.77 -0.04 0.00 -0.27 0.00 0.00 36.82 38.44 3kul h ILE 687 CO -0.01 0.57 0.56 0.24 -1.05 0.00 0.00 178.15 178.46 3kul h MET 688 N 0.49 1.09 0.00 0.16 2.86 -1.29 -2.26 114.93 115.98 3kul h MET 688 Ca 0.00 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 3kul h MET 688 Cb 1.15 -0.25 0.00 0.00 0.06 0.00 0.00 31.60 32.56 3kul h MET 688 CO 0.11 0.72 0.00 0.41 1.06 0.00 0.00 176.91 179.22 3kul n GLY 689 N -1.41 -1.14 0.03 8.32 0.00 -0.60 -2.39 105.19 108.01 3kul n GLY 689 Ca 0.10 0.01 0.12 0.00 0.00 0.00 0.00 46.02 46.25 3kul n GLY 689 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3kul n GLN 690 N -1.85 0.19 -2.96 1.61 6.02 -0.85 -4.93 117.38 114.62 3kul n GLN 690 Ca 0.03 0.03 -0.37 0.00 -0.01 0.00 0.00 57.00 56.68 3kul n GLN 690 Cb 0.20 -1.59 -0.06 0.00 1.02 0.00 0.00 30.24 29.80 3kul n GLN 690 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 3kul s PHE 691 N -3.12 3.71 -0.35 1.08 0.08 -1.00 -5.03 117.98 113.34 3kul s PHE 691 Ca 0.07 1.58 0.03 0.00 0.12 0.00 0.00 56.93 58.72 3kul s PHE 691 Cb 0.15 -2.76 0.16 0.00 -0.57 0.00 0.00 43.02 40.00 3kul s PHE 691 CO 0.75 0.32 0.39 0.34 -0.10 0.00 0.00 175.22 176.91 3kul s ASP 692 N -1.57 0.91 -0.07 1.36 3.68 -1.26 -4.91 116.67 114.80 3kul s ASP 692 Ca 0.45 -1.21 -0.15 0.00 2.13 0.00 0.00 52.55 53.77 3kul s ASP 692 Cb -0.18 0.75 0.03 0.00 -1.45 0.00 0.00 42.92 42.07 3kul s ASP 692 CO 0.23 -0.29 0.35 -2.28 0.13 0.00 0.00 175.17 173.32 3kul s HIS 693 N 1.78 -0.31 0.52 -5.34 2.46 -1.26 -5.06 115.29 108.09 3kul s HIS 693 Ca 0.15 0.64 0.17 0.00 0.47 0.00 0.00 55.06 56.49 3kul s HIS 693 Cb -0.14 0.13 1.30 0.00 -0.13 0.00 0.00 32.58 33.74 3kul s HIS 693 CO -0.12 -0.31 2.14 -1.35 -2.47 0.00 0.00 174.74 172.63 3kul h PRO 694 N 4.61 0.00 -0.72 2.88 0.10 -1.99 -2.72 132.00 134.16 3kul h PRO 694 Ca -0.28 0.00 -0.27 0.00 0.10 0.00 0.00 66.00 65.55 3kul h PRO 694 Cb 1.18 0.00 -0.16 0.00 0.10 0.00 0.00 31.00 32.12 3kul h PRO 694 CO 0.34 0.00 0.30 0.09 0.10 0.00 0.00 178.00 178.83 3kul n ASN 695 N -4.50 4.24 -4.03 -2.05 4.13 -1.26 -4.85 115.26 106.95 3kul n ASN 695 Ca -0.02 -3.37 -0.25 0.00 1.68 0.00 0.00 54.58 52.62 3kul n ASN 695 Cb 0.14 -0.74 -0.17 0.00 -1.54 0.00 0.00 39.78 37.47 3kul n ASN 695 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3kul s ILE 696 N -3.09 1.20 0.07 2.41 -1.09 -1.03 -0.43 121.20 119.24 3kul s ILE 696 Ca 0.53 -0.50 -0.36 0.00 -2.23 0.00 0.00 60.65 58.09 3kul s ILE 696 Cb 0.44 -1.10 -0.15 0.00 -1.58 0.00 0.00 42.46 40.07 3kul s ILE 696 CO 0.11 0.37 1.50 -0.38 -1.23 0.00 0.00 174.94 175.31 3kul n ILE 697 N 3.93 0.07 -2.95 2.92 2.08 -0.48 -4.68 119.36 120.26 3kul n ILE 697 Ca -0.22 -0.01 -0.40 0.00 0.56 0.00 0.00 62.75 62.68 3kul n ILE 697 Cb 0.52 -1.18 -0.05 0.00 -0.75 0.00 0.00 39.64 38.18 3kul n ILE 697 CO 0.00 0.00 0.00 -0.60 0.56 0.00 0.00 176.55 176.51 3kul s ARG 698 N 1.17 4.50 -0.27 0.38 3.52 -1.26 -4.98 118.95 122.01 3kul s ARG 698 Ca 0.84 1.08 -0.29 0.00 -0.13 0.00 0.00 55.73 57.23 3kul s ARG 698 Cb -0.85 -3.40 0.01 0.00 -1.56 0.00 0.00 34.95 29.15 3kul s ARG 698 CO 0.46 0.17 1.09 -1.17 -0.81 0.00 0.00 175.30 175.03 3kul s LEU 699 N 0.36 4.02 0.10 -0.88 2.96 -1.26 -1.41 118.68 122.56 3kul s LEU 699 Ca 0.41 1.25 0.08 0.00 -0.22 0.00 0.00 54.13 55.64 3kul s LEU 699 Cb -0.20 -3.54 -0.21 0.00 0.50 0.00 0.00 46.19 42.74 3kul s LEU 699 CO 0.23 -0.80 1.20 -0.33 -1.32 0.00 0.00 176.35 175.33 3kul h GLU 700 N 7.90 0.00 0.00 1.98 4.39 -0.35 -3.48 114.58 125.04 3kul h GLU 700 Ca -0.21 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.49 3kul h GLU 700 Cb 1.07 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.72 3kul h GLU 700 CO 1.01 0.94 0.00 0.41 -1.16 0.00 0.00 179.01 180.20 3kul n GLY 701 N 1.38 -0.86 3.03 -3.84 0.00 -0.84 -4.94 105.19 99.12 3kul n GLY 701 Ca -0.02 -1.25 -0.08 0.00 0.00 0.00 0.00 46.02 44.67 3kul n GLY 701 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kul s VAL 702 N -2.95 0.16 -0.14 1.61 -7.23 0.15 -0.62 120.40 111.38 3kul s VAL 702 Ca 0.00 -1.29 0.00 0.00 -1.81 0.00 0.00 61.98 58.88 3kul s VAL 702 Cb 0.00 -0.81 0.02 0.00 0.56 0.00 0.00 36.38 36.16 3kul s VAL 702 CO 0.00 -0.71 -0.12 -0.69 -0.31 0.00 0.00 175.10 173.27 3kul s VAL 703 N -2.53 1.39 0.00 1.32 1.01 -0.45 0.59 120.40 121.73 3kul s VAL 703 Ca -0.06 -0.54 0.00 0.00 0.00 0.00 0.00 61.98 61.38 3kul s VAL 703 Cb -0.02 -1.35 0.00 0.00 0.00 0.00 0.00 36.38 35.01 3kul s VAL 703 CO -0.05 0.40 0.00 0.35 0.00 0.00 0.00 175.10 175.81 3kul n THR 704 N 4.83 0.00 -2.25 3.92 -2.24 -1.25 -0.54 114.28 116.74 3kul n THR 704 Ca -0.15 -0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.28 3kul n THR 704 Cb 0.50 0.21 -0.00 0.00 -2.10 0.00 0.00 70.33 68.94 3kul n THR 704 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3kul s ARG 705 N -0.08 3.40 -1.37 -0.78 0.52 -1.26 -3.79 118.95 115.59 3kul s ARG 705 Ca 0.00 1.47 -0.04 0.00 -0.52 0.00 0.00 55.73 56.64 3kul s ARG 705 Cb 0.00 -2.02 0.00 0.00 0.52 0.00 0.00 34.95 33.45 3kul s ARG 705 CO 0.00 -0.79 0.51 0.41 0.02 0.00 0.00 175.30 175.46 3kul n GLY 706 N -0.16 -0.37 2.59 -3.53 0.00 -1.26 -2.52 105.19 99.94 3kul n GLY 706 Ca 0.11 0.01 -0.09 0.00 0.00 0.00 0.00 46.02 46.04 3kul n GLY 706 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kul n ARG 707 N -3.58 -1.28 -2.14 1.61 5.12 -1.25 -5.02 116.66 110.12 3kul n ARG 707 Ca -0.10 0.76 -0.31 0.00 -1.93 0.00 0.00 57.85 56.26 3kul n ARG 707 Cb 0.61 -4.91 -0.01 0.00 -1.16 0.00 0.00 32.46 26.99 3kul n ARG 707 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3kul s LEU 708 N -2.01 3.41 -0.34 0.55 1.43 -1.05 -5.02 118.68 115.65 3kul s LEU 708 Ca 0.00 1.40 0.01 0.00 -1.03 0.00 0.00 54.13 54.50 3kul s LEU 708 Cb 0.00 -4.40 0.14 0.00 0.03 0.00 0.00 46.19 41.97 3kul s LEU 708 CO 0.00 -0.74 0.30 0.00 0.23 0.00 0.00 176.35 176.14 3kul s ALA 709 N -2.95 -0.09 -0.04 4.21 0.00 -1.21 -3.90 121.76 117.79 3kul s ALA 709 Ca 0.55 -0.98 0.03 0.00 0.00 0.00 0.00 51.96 51.56 3kul s ALA 709 Cb -0.11 -1.84 0.00 0.00 0.00 0.00 0.00 23.12 21.17 3kul s ALA 709 CO 0.46 -1.98 -0.12 -1.64 0.00 0.00 0.00 175.76 172.48 3kul s MET 710 N 1.66 1.27 -0.23 0.00 -1.94 0.30 -2.29 119.30 118.07 3kul s MET 710 Ca 0.14 -0.40 -0.06 0.00 -1.71 0.00 0.00 55.69 53.67 3kul s MET 710 Cb -0.16 -1.14 -0.02 0.00 2.01 0.00 0.00 34.83 35.52 3kul s MET 710 CO -0.13 0.14 0.02 0.42 -0.01 0.00 0.00 175.02 175.45 3kul s ILE 711 N 0.21 3.90 -0.26 2.53 1.01 0.08 -1.34 121.20 127.33 3kul s ILE 711 Ca -0.05 -0.31 -0.07 0.00 0.00 0.00 0.00 60.65 60.22 3kul s ILE 711 Cb -0.10 -2.80 -0.01 0.00 0.01 0.00 0.00 42.46 39.55 3kul s ILE 711 CO 0.01 0.38 0.07 -0.69 0.00 0.00 0.00 174.94 174.71 3kul s VAL 712 N 1.51 4.10 0.36 2.92 1.01 0.21 -1.37 120.40 129.14 3kul s VAL 712 Ca 0.06 -0.40 0.09 0.00 0.00 0.00 0.00 61.98 61.73 3kul s VAL 712 Cb -0.15 -2.99 -0.07 0.00 0.00 0.00 0.00 36.38 33.18 3kul s VAL 712 CO 0.01 0.25 -0.07 0.42 0.00 0.00 0.00 175.10 175.70 3kul s THR 713 N 1.56 2.17 0.51 3.92 -4.23 -0.23 0.40 115.64 119.74 3kul s THR 713 Ca 0.05 -2.16 -0.23 0.00 -1.18 0.00 0.00 61.69 58.17 3kul s THR 713 Cb -0.16 -2.71 -0.07 0.00 1.34 0.00 0.00 72.50 70.90 3kul s THR 713 CO 0.03 -0.16 1.31 -1.84 -0.54 0.00 0.00 174.62 173.41 3kul n GLU 714 N -0.82 1.75 -2.88 3.99 0.28 -0.50 -1.61 120.64 120.85 3kul n GLU 714 Ca -0.05 0.64 -0.40 0.00 -0.16 0.00 0.00 57.16 57.18 3kul n GLU 714 Cb 0.64 -2.50 -0.05 0.00 1.43 0.00 0.00 31.44 30.97 3kul n GLU 714 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 177.13 176.50 3kul s TYR 715 N -1.27 3.76 -0.32 -1.84 5.04 -1.09 -4.26 117.35 117.36 3kul s TYR 715 Ca 0.68 1.60 -0.01 0.00 -2.44 0.00 0.00 57.07 56.90 3kul s TYR 715 Cb -0.44 -2.92 0.06 0.00 0.35 0.00 0.00 41.96 39.01 3kul s TYR 715 CO 0.52 0.24 0.03 -1.64 -1.34 0.00 0.00 175.55 173.35 3kul s MET 716 N 0.01 2.28 0.45 4.97 -1.94 -1.26 -4.95 119.30 118.85 3kul s MET 716 Ca 0.42 -1.41 0.18 0.00 -1.71 0.00 0.00 55.69 53.18 3kul s MET 716 Cb -0.22 -3.22 1.06 0.00 2.01 0.00 0.00 34.83 34.47 3kul s MET 716 CO 0.26 -0.71 1.97 1.05 -0.01 0.00 0.00 175.02 177.58 3kul h GLU 717 N 7.96 0.00 -0.43 2.03 9.09 -1.88 -1.91 114.58 129.44 3kul h GLU 717 Ca -0.18 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.23 3kul h GLU 717 Cb 1.05 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.15 3kul h GLU 717 CO 0.55 0.21 0.00 0.09 0.05 0.00 0.00 179.01 179.92 3kul n ASN 718 N -4.03 2.61 0.00 3.06 5.03 -0.28 -5.02 115.26 116.62 3kul n ASN 718 Ca -0.02 -1.95 0.00 0.00 0.87 0.00 0.00 54.58 53.48 3kul n ASN 718 Cb 0.29 -0.28 0.00 0.00 -1.02 0.00 0.00 39.78 38.77 3kul n ASN 718 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3kul n GLY 719 N 1.30 0.98 3.77 7.41 0.00 -0.72 -4.55 105.19 113.38 3kul n GLY 719 Ca 0.17 -0.71 -0.41 0.00 0.00 0.00 0.00 46.02 45.07 3kul n GLY 719 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kul s SER 720 N -4.00 6.51 0.30 1.61 0.01 -1.26 -1.00 113.70 115.86 3kul s SER 720 Ca 0.00 2.89 -0.02 0.00 1.31 0.00 0.00 55.95 60.13 3kul s SER 720 Cb 0.00 -2.65 0.43 0.00 0.21 0.00 0.00 66.02 64.01 3kul s SER 720 CO 0.00 -0.76 1.94 0.25 0.41 0.00 0.00 173.24 175.09 3kul h LEU 721 N 3.50 0.92 0.20 2.44 5.85 -0.85 -1.02 115.31 126.36 3kul h LEU 721 Ca -0.49 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.17 3kul h LEU 721 Cb 1.23 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 42.03 3kul h LEU 721 CO 0.67 0.70 -0.10 -2.24 -0.34 0.00 0.00 178.44 177.14 3kul h ASP 722 N 1.07 -0.23 -0.19 1.25 2.03 -1.82 -1.86 116.42 116.66 3kul h ASP 722 Ca 0.28 -0.13 -0.12 0.00 -0.73 0.00 0.00 57.03 56.33 3kul h ASP 722 Cb -0.05 0.06 -0.01 0.00 -0.83 0.00 0.00 39.33 38.49 3kul h ASP 722 CO -0.05 -0.01 -0.31 0.71 -1.03 0.00 0.00 179.24 178.55 3kul h THR 723 N -0.45 1.28 -0.38 1.15 1.35 -1.89 -1.07 112.91 112.89 3kul h THR 723 Ca -0.03 -1.44 0.07 0.00 -0.55 0.00 0.00 66.41 64.46 3kul h THR 723 Cb 0.34 1.37 -0.06 0.00 -1.73 0.00 0.00 68.15 68.07 3kul h THR 723 CO 0.05 0.47 0.04 0.15 -0.25 0.00 0.00 175.52 175.97 3kul h PHE 724 N 0.59 0.05 -0.06 4.73 3.57 -1.15 -0.41 116.94 124.25 3kul h PHE 724 Ca 0.07 0.03 -0.17 0.00 3.53 0.00 0.00 57.97 61.43 3kul h PHE 724 Cb 0.82 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.58 3kul h PHE 724 CO 0.04 -0.03 -0.69 -0.07 -2.23 0.00 0.00 178.31 175.33 3kul h LEU 725 N 0.15 0.33 -1.44 0.59 3.38 -1.14 -2.46 115.31 114.72 3kul h LEU 725 Ca 0.19 -0.21 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 3kul h LEU 725 Cb 0.25 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3kul h LEU 725 CO -0.28 0.92 -0.28 0.03 0.09 0.00 0.00 178.44 178.91 3kul h ARG 726 N 0.19 0.00 -0.09 1.13 3.08 -0.89 -2.46 114.38 115.33 3kul h ARG 726 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3kul h ARG 726 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.29 3kul h ARG 726 CO 0.11 0.28 0.00 0.25 -1.07 0.00 0.00 179.97 179.54 3kul n THR 727 N -4.03 0.10 -2.59 2.04 -2.24 -0.19 -4.20 114.28 103.17 3kul n THR 727 Ca -0.02 -0.42 -0.10 0.00 -2.27 0.00 0.00 64.05 61.24 3kul n THR 727 Cb 0.35 0.90 0.03 0.00 -2.10 0.00 0.00 70.33 69.51 3kul n THR 727 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3kul n HIS 728 N 0.79 1.77 -1.81 4.78 8.25 -0.94 -5.07 115.22 123.00 3kul n HIS 728 Ca 0.17 -2.43 -0.42 0.00 -0.26 0.00 0.00 57.72 54.78 3kul n HIS 728 Cb 0.47 -0.27 -0.03 0.00 1.12 0.00 0.00 29.99 31.28 3kul n HIS 728 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3kul s ASP 729 N -3.57 6.48 0.00 0.41 -1.08 -1.02 -1.25 116.67 116.64 3kul s ASP 729 Ca 0.34 2.72 0.00 0.00 -0.52 0.00 0.00 52.55 55.10 3kul s ASP 729 Cb 0.38 -2.59 0.00 0.00 -1.46 0.00 0.00 42.92 39.26 3kul s ASP 729 CO -0.02 -0.93 0.00 0.61 0.52 0.00 0.00 175.17 175.35 3kul n GLY 730 N 3.98 0.27 0.35 2.66 0.00 -1.26 -4.90 105.19 106.30 3kul n GLY 730 Ca 0.16 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.32 3kul n GLY 730 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3kul n GLN 731 N -1.04 1.33 -4.37 1.61 6.02 -0.38 -4.88 117.38 115.66 3kul n GLN 731 Ca 0.00 -0.71 -0.26 0.00 -0.01 0.00 0.00 57.00 56.01 3kul n GLN 731 Cb 0.22 -1.49 -0.10 0.00 1.02 0.00 0.00 30.24 29.89 3kul n GLN 731 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 3kul s PHE 732 N -2.16 2.44 0.59 1.08 0.08 -1.26 -5.14 117.98 113.61 3kul s PHE 732 Ca 0.35 -0.30 -0.10 0.00 0.12 0.00 0.00 56.93 57.00 3kul s PHE 732 Cb 0.21 -1.18 -0.04 0.00 -0.57 0.00 0.00 43.02 41.43 3kul s PHE 732 CO 0.39 0.53 0.98 0.95 -0.10 0.00 0.00 175.22 177.98 3kul s THR 733 N -1.79 4.74 0.26 0.64 -4.23 -1.26 -4.90 115.64 109.10 3kul s THR 733 Ca 0.24 0.74 -0.02 0.00 -1.18 0.00 0.00 61.69 61.46 3kul s THR 733 Cb -0.08 -3.87 0.24 0.00 1.34 0.00 0.00 72.50 70.13 3kul s THR 733 CO 0.13 -1.08 1.81 0.40 -0.54 0.00 0.00 174.62 175.33 3kul h ILE 734 N -0.21 0.88 -0.61 2.99 1.08 -1.99 0.33 117.51 119.98 3kul h ILE 734 Ca -0.45 -0.28 -0.00 0.00 -0.39 0.00 0.00 64.86 63.74 3kul h ILE 734 Cb 1.19 -0.01 -0.03 0.00 -3.07 0.00 0.00 36.82 34.90 3kul h ILE 734 CO 0.62 0.15 0.37 -0.03 -0.69 0.00 0.00 178.15 178.57 3kul h MET 735 N 0.82 0.81 -0.14 2.37 4.05 -1.97 0.20 114.93 121.07 3kul h MET 735 Ca 0.44 -0.06 -0.23 0.00 -0.28 0.00 0.00 59.70 59.56 3kul h MET 735 Cb 0.46 -0.18 0.01 0.00 -0.80 0.00 0.00 31.60 31.09 3kul h MET 735 CO -0.27 0.57 -0.82 1.96 0.23 0.00 0.00 176.91 178.58 3kul h GLN 736 N 0.83 0.79 -0.44 0.39 4.20 -1.38 0.03 115.11 119.54 3kul h GLN 736 Ca 0.22 -0.67 -0.06 0.00 0.06 0.00 0.00 58.65 58.20 3kul h GLN 736 Cb -0.04 0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.87 3kul h GLN 736 CO -0.04 1.27 0.04 -0.07 -0.67 0.00 0.00 178.83 179.36 3kul h LEU 737 N 0.53 0.72 -0.78 1.46 3.38 -0.44 -1.33 115.31 118.86 3kul h LEU 737 Ca -0.06 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.63 3kul h LEU 737 Cb 1.45 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.97 3kul h LEU 737 CO 0.17 0.82 0.49 0.58 0.09 0.00 0.00 178.44 180.59 3kul h VAL 738 N 0.60 1.21 -0.95 1.22 2.07 -0.60 -1.70 116.25 118.10 3kul h VAL 738 Ca 0.13 -0.42 0.05 0.00 0.82 0.00 0.00 66.70 67.28 3kul h VAL 738 Cb 0.43 0.09 -0.06 0.00 -1.52 0.00 0.00 31.29 30.23 3kul h VAL 738 CO 0.01 0.21 0.61 1.23 0.02 0.00 0.00 177.57 179.65 3kul h GLY 739 N 1.06 1.42 1.00 2.17 0.00 -0.82 -0.59 103.07 107.31 3kul h GLY 739 Ca 0.28 -0.45 0.00 0.00 0.00 0.00 0.00 47.33 47.16 3kul h GLY 739 CO -0.06 0.34 0.39 -0.33 0.00 0.00 0.00 176.54 176.89 3kul h MET 740 N 1.14 0.79 -0.02 4.80 2.07 -0.58 -2.51 114.93 120.62 3kul h MET 740 Ca 0.40 -0.05 -0.11 0.00 -2.07 0.00 0.00 59.70 57.87 3kul h MET 740 Cb 0.11 -0.18 -0.01 0.00 -1.87 0.00 0.00 31.60 29.65 3kul h MET 740 CO -0.15 0.53 -0.49 -0.07 1.07 0.00 0.00 176.91 177.80 3kul h LEU 741 N 0.81 0.04 -0.50 1.22 3.38 -0.79 -2.52 115.31 116.94 3kul h LEU 741 Ca 0.22 -0.02 -0.15 0.00 0.09 0.00 0.00 57.88 58.01 3kul h LEU 741 Cb -0.08 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3kul h LEU 741 CO -0.05 0.52 -0.45 -0.09 0.09 0.00 0.00 178.44 178.47 3kul h ARG 742 N 0.03 0.73 -0.12 1.13 1.12 -0.97 0.22 114.38 116.52 3kul h ARG 742 Ca -0.00 -0.41 -0.00 0.00 -1.11 0.00 0.00 59.98 58.46 3kul h ARG 742 Cb 0.87 0.02 -0.01 0.00 -0.01 0.00 0.00 29.97 30.85 3kul h ARG 742 CO 0.07 1.03 0.07 0.78 -3.11 0.00 0.00 179.97 178.80 3kul h GLY 743 N 0.92 0.18 0.79 2.80 0.00 -1.09 0.26 103.07 106.94 3kul h GLY 743 Ca 0.04 -0.08 0.03 0.00 0.00 0.00 0.00 47.33 47.32 3kul h GLY 743 CO 0.10 0.08 0.26 -2.08 0.00 0.00 0.00 176.54 174.90 3kul h VAL 744 N 0.12 0.99 -0.29 4.60 2.07 -1.27 -1.24 116.25 121.24 3kul h VAL 744 Ca 0.04 -0.18 0.06 0.00 0.82 0.00 0.00 66.70 67.45 3kul h VAL 744 Cb 0.06 0.43 -0.06 0.00 -1.52 0.00 0.00 31.29 30.19 3kul h VAL 744 CO -0.01 0.09 -0.12 1.23 0.02 0.00 0.00 177.57 178.79 3kul h GLY 745 N 0.52 0.13 1.02 2.17 0.00 -0.03 -0.96 103.07 105.92 3kul h GLY 745 Ca 0.21 0.15 -0.02 0.00 0.00 0.00 0.00 47.33 47.67 3kul h GLY 745 CO -0.13 -0.14 0.45 0.00 0.00 0.00 0.00 176.54 176.72 3kul h ALA 746 N 1.18 1.07 -0.38 3.60 0.00 -0.01 0.27 119.26 124.98 3kul h ALA 746 Ca 0.15 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.95 3kul h ALA 746 Cb 0.29 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3kul h ALA 746 CO -0.33 0.59 0.21 0.78 0.00 0.00 0.00 179.25 180.50 3kul h GLY 747 N 1.16 0.53 1.53 0.00 0.00 -0.78 -0.63 103.07 104.88 3kul h GLY 747 Ca 0.29 -0.16 -0.10 0.00 0.00 0.00 0.00 47.33 47.36 3kul h GLY 747 CO -0.05 0.13 -0.26 -0.33 0.00 0.00 0.00 176.54 176.04 3kul h MET 748 N 0.44 0.55 -0.22 4.80 2.86 -0.88 -1.29 114.93 121.18 3kul h MET 748 Ca 0.16 -0.21 -0.00 0.00 -2.06 0.00 0.00 59.70 57.58 3kul h MET 748 Cb 0.03 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 3kul h MET 748 CO -0.08 0.76 0.13 -0.09 1.06 0.00 0.00 176.91 178.69 3kul h ARG 749 N 0.48 0.30 -0.49 1.72 2.43 -0.74 -0.21 114.38 117.86 3kul h ARG 749 Ca 0.07 -0.03 0.05 0.00 -0.81 0.00 0.00 59.98 59.26 3kul h ARG 749 Cb 0.70 -0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 30.14 3kul h ARG 749 CO 0.05 0.24 0.21 -0.92 -1.51 0.00 0.00 179.97 178.04 3kul h TYR 750 N 0.27 0.38 -0.10 2.20 3.20 -0.77 -0.89 116.97 121.26 3kul h TYR 750 Ca 0.08 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.95 3kul h TYR 750 Cb 0.01 -0.10 -0.00 0.00 1.54 0.00 0.00 36.73 38.18 3kul h TYR 750 CO -0.05 0.16 -0.04 1.25 -1.64 0.00 0.00 178.16 177.85 3kul h LEU 751 N 0.42 0.21 -0.87 2.82 5.85 -0.97 -2.77 115.31 119.99 3kul h LEU 751 Ca 0.22 -0.40 -0.06 0.00 0.84 0.00 0.00 57.88 58.49 3kul h LEU 751 Cb 0.18 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 3kul h LEU 751 CO -0.19 0.56 0.15 0.77 -0.34 0.00 0.00 178.44 179.38 3kul h SER 752 N -0.14 0.92 -0.24 1.25 4.64 -1.00 -1.89 113.55 117.09 3kul h SER 752 Ca 0.02 -0.18 0.04 0.00 -0.47 0.00 0.00 61.79 61.20 3kul h SER 752 Cb 0.47 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.31 3kul h SER 752 CO 0.01 0.90 0.17 0.44 -0.87 0.00 0.00 176.83 177.48 3kul h ASP 753 N 0.93 0.12 0.68 4.97 3.32 -1.07 0.25 116.42 125.62 3kul h ASP 753 Ca 0.20 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.25 3kul h ASP 753 Cb 0.34 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.86 3kul h ASP 753 CO 0.00 0.08 -0.07 0.18 -1.72 0.00 0.00 179.24 177.71 3kul n LEU 754 N -4.49 0.14 0.00 1.55 4.77 -0.76 -4.93 117.00 113.28 3kul n LEU 754 Ca 0.02 0.28 0.00 0.00 -0.03 0.00 0.00 56.01 56.29 3kul n LEU 754 Cb 0.22 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 3kul n LEU 754 CO 0.35 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 3kul n GLY 755 N 1.39 0.81 3.77 -0.72 0.00 0.86 -4.92 105.19 106.37 3kul n GLY 755 Ca 0.11 -0.61 -0.36 0.00 0.00 0.00 0.00 46.02 45.16 3kul n GLY 755 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kul s TYR 756 N -2.00 3.40 -0.18 1.61 2.02 -0.93 0.13 117.35 121.40 3kul s TYR 756 Ca 0.00 0.34 -0.07 0.00 -0.37 0.00 0.00 57.07 56.97 3kul s TYR 756 Cb 0.00 -1.93 -0.04 0.00 -0.40 0.00 0.00 41.96 39.59 3kul s TYR 756 CO 0.00 0.53 0.06 0.54 -1.57 0.00 0.00 175.55 175.11 3kul s VAL 757 N -0.65 4.78 -0.13 0.71 0.11 -0.25 -3.96 120.40 121.00 3kul s VAL 757 Ca 0.12 -0.04 -0.28 0.00 -2.93 0.00 0.00 61.98 58.85 3kul s VAL 757 Cb -0.12 -3.14 -0.25 0.00 -1.53 0.00 0.00 36.38 31.34 3kul s VAL 757 CO 0.02 0.47 0.78 -0.74 -3.33 0.00 0.00 175.10 172.31 3kul h HIS 758 N 6.58 -0.00 0.00 1.54 2.76 -1.89 -1.67 115.15 122.47 3kul h HIS 758 Ca -0.38 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.79 3kul h HIS 758 Cb 1.17 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.13 3kul h HIS 758 CO 0.57 0.93 0.00 0.54 -1.30 0.00 0.00 177.93 178.67 3kul n ARG 759 N -4.63 0.00 -1.19 5.26 1.74 -1.26 -3.12 116.66 113.45 3kul n ARG 759 Ca -0.10 0.00 0.03 0.00 -0.77 0.00 0.00 57.85 57.01 3kul n ARG 759 Cb 0.45 -1.57 0.02 0.00 -1.02 0.00 0.00 32.46 30.34 3kul n ARG 759 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3kul n ASP 760 N 0.00 0.77 -4.66 0.55 2.03 -1.26 -4.95 116.55 109.03 3kul n ASP 760 Ca 0.00 -2.07 -0.43 0.00 0.52 0.00 0.00 54.79 52.82 3kul n ASP 760 Cb 0.00 -0.28 -0.02 0.00 -0.72 0.00 0.00 41.12 40.09 3kul n ASP 760 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 3kul s LEU 761 N -0.13 4.23 -0.01 -2.67 2.96 -1.26 -4.74 118.68 117.05 3kul s LEU 761 Ca 0.25 1.94 -0.28 0.00 -0.22 0.00 0.00 54.13 55.82 3kul s LEU 761 Cb 0.28 -3.54 0.09 0.00 0.50 0.00 0.00 46.19 43.53 3kul s LEU 761 CO -0.12 -0.88 0.77 0.00 -1.32 0.00 0.00 176.35 174.80 3kul s ALA 762 N 3.88 -1.78 0.47 5.97 0.00 -1.26 -4.76 121.76 124.29 3kul s ALA 762 Ca 0.65 1.12 0.19 0.00 0.00 0.00 0.00 51.96 53.91 3kul s ALA 762 Cb -0.27 0.15 1.18 0.00 0.00 0.00 0.00 23.12 24.17 3kul s ALA 762 CO 0.23 -0.52 1.96 0.00 0.00 0.00 0.00 175.76 177.43 3kul h ALA 763 N 2.46 2.25 -0.37 0.00 0.00 -1.92 0.27 119.26 121.94 3kul h ALA 763 Ca -0.26 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 54.75 3kul h ALA 763 Cb 1.21 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 3kul h ALA 763 CO 0.35 -0.43 0.27 0.07 0.00 0.00 0.00 179.25 179.51 3kul h ARG 764 N 0.26 0.03 -0.44 0.00 0.11 -1.94 -2.29 114.38 110.11 3kul h ARG 764 Ca 0.31 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.39 3kul h ARG 764 Cb 0.87 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 31.95 3kul h ARG 764 CO -0.07 0.02 0.00 0.09 0.10 0.00 0.00 179.97 180.11 3kul n ASN 765 N -4.43 2.93 -4.71 0.08 3.02 0.92 -4.68 115.26 108.38 3kul n ASN 765 Ca 0.06 -1.94 -0.35 0.00 -0.03 0.00 0.00 54.58 52.31 3kul n ASN 765 Cb 0.43 -0.29 -0.08 0.00 -0.61 0.00 0.00 39.78 39.23 3kul n ASN 765 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3kul s VAL 766 N -1.42 5.08 0.10 2.41 1.01 -0.87 -1.72 120.40 124.99 3kul s VAL 766 Ca 0.37 0.07 0.06 0.00 0.00 0.00 0.00 61.98 62.48 3kul s VAL 766 Cb 0.20 -3.27 -0.04 0.00 0.00 0.00 0.00 36.38 33.27 3kul s VAL 766 CO 0.28 0.50 -0.04 -0.76 0.00 0.00 0.00 175.10 175.07 3kul s LEU 767 N 0.01 3.29 -0.12 3.92 1.43 0.20 -0.87 118.68 126.53 3kul s LEU 767 Ca 0.08 -0.28 0.03 0.00 -1.03 0.00 0.00 54.13 52.92 3kul s LEU 767 Cb -0.12 -2.03 0.00 0.00 0.03 0.00 0.00 46.19 44.07 3kul s LEU 767 CO 0.00 0.17 -0.22 -0.69 0.23 0.00 0.00 176.35 175.84 3kul s VAL 768 N -1.32 2.21 0.44 -1.59 1.01 -0.17 -0.47 120.40 120.51 3kul s VAL 768 Ca 0.24 -0.95 -0.00 0.00 0.00 0.00 0.00 61.98 61.27 3kul s VAL 768 Cb -0.11 -1.87 0.09 0.00 0.00 0.00 0.00 36.38 34.49 3kul s VAL 768 CO 0.17 0.55 0.61 -0.90 0.00 0.00 0.00 175.10 175.52 3kul n ASP 769 N 3.73 0.79 0.21 3.32 5.68 -0.44 -1.13 116.55 128.71 3kul n ASP 769 Ca -0.19 -1.67 0.04 0.00 -0.50 0.00 0.00 54.79 52.47 3kul n ASP 769 Cb 0.52 -0.39 0.44 0.00 -1.14 0.00 0.00 41.12 40.55 3kul n ASP 769 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 3kul h SER 770 N -0.37 0.00 -0.35 -1.12 4.64 -1.95 -1.01 113.55 113.39 3kul h SER 770 Ca -0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.12 3kul h SER 770 Cb 0.73 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.82 3kul h SER 770 CO 0.21 0.28 0.00 0.59 -0.87 0.00 0.00 176.83 177.04 3kul n ASN 771 N -4.14 2.59 -0.29 4.97 3.02 -1.26 -4.90 115.26 115.25 3kul n ASN 771 Ca -0.02 -2.19 -0.04 0.00 -0.03 0.00 0.00 54.58 52.30 3kul n ASN 771 Cb 0.33 -0.39 -0.02 0.00 -0.61 0.00 0.00 39.78 39.10 3kul n ASN 771 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3kul n LEU 772 N 0.50 0.00 -4.69 3.41 4.77 -0.38 -4.98 117.00 115.62 3kul n LEU 772 Ca 0.13 0.09 -0.42 0.00 -0.03 0.00 0.00 56.01 55.79 3kul n LEU 772 Cb 0.49 -1.49 -0.03 0.00 -2.33 0.00 0.00 43.42 40.06 3kul n LEU 772 CO 0.12 -0.48 1.05 -0.69 -1.33 0.00 0.00 177.39 176.06 3kul s VAL 773 N -1.86 3.84 -0.06 4.08 1.01 -1.26 -4.77 120.40 121.37 3kul s VAL 773 Ca 0.00 1.23 -0.14 0.00 0.00 0.00 0.00 61.98 63.08 3kul s VAL 773 Cb 0.00 -3.79 -0.05 0.00 0.00 0.00 0.00 36.38 32.54 3kul s VAL 773 CO 0.00 0.02 0.35 0.00 0.00 0.00 0.00 175.10 175.47 3kul s LYS 775 N -0.60 0.78 0.18 0.00 1.02 0.38 -4.39 119.74 117.11 3kul s LYS 775 Ca 0.21 -0.26 -0.30 0.00 0.02 0.00 0.00 55.97 55.64 3kul s LYS 775 Cb -0.15 -0.75 -0.08 0.00 -0.52 0.00 0.00 37.83 36.33 3kul s LYS 775 CO 0.10 0.11 1.19 0.08 -0.92 0.00 0.00 175.35 175.90 3kul s VAL 776 N 0.13 3.63 0.36 3.17 1.01 0.42 -0.63 120.40 128.50 3kul s VAL 776 Ca -0.02 1.37 0.05 0.00 0.00 0.00 0.00 61.98 63.38 3kul s VAL 776 Cb -0.07 -3.87 -0.02 0.00 0.00 0.00 0.00 36.38 32.42 3kul s VAL 776 CO 0.00 0.21 0.19 -1.54 0.00 0.00 0.00 175.10 173.96 3kul n SER 777 N 2.56 0.48 -2.79 3.32 3.41 -0.70 -1.38 113.62 118.52 3kul n SER 777 Ca 0.04 -3.07 -0.07 0.00 -0.26 0.00 0.00 58.87 55.51 3kul n SER 777 Cb 0.45 1.22 0.01 0.00 -0.26 0.00 0.00 64.21 65.63 3kul n SER 777 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3kul n ASP 778 N -1.63 -7.71 -1.69 4.04 4.64 -1.26 -4.86 116.55 108.07 3kul n ASP 778 Ca -0.01 0.54 0.08 0.00 -1.38 0.00 0.00 54.79 54.03 3kul n ASP 778 Cb 0.58 -5.22 0.37 0.00 -1.04 0.00 0.00 41.12 35.81 3kul n ASP 778 CO 0.00 0.00 0.00 0.49 -0.82 0.00 0.00 177.20 176.87 3kul n PHE 779 N -0.28 1.71 0.08 -0.67 3.72 -1.26 -4.51 117.46 116.24 3kul n PHE 779 Ca 0.11 -0.63 0.04 0.00 -0.05 0.00 0.00 57.45 56.92 3kul n PHE 779 Cb 0.43 -0.35 0.44 0.00 -0.94 0.00 0.00 39.48 39.05 3kul n PHE 779 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3kul h GLY 780 N 4.18 0.40 -0.45 1.37 0.00 -1.92 -2.20 103.07 104.44 3kul h GLY 780 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.15 3kul h GLY 780 CO 0.34 0.17 -0.38 1.04 0.00 0.00 0.00 176.54 177.70 3kul n LEU 781 N -4.42 1.59 -4.74 3.11 4.32 -1.26 -4.94 117.00 110.66 3kul n LEU 781 Ca 0.01 -0.54 -0.42 0.00 -0.02 0.00 0.00 56.01 55.04 3kul n LEU 781 Cb 0.13 -0.05 -0.02 0.00 -1.62 0.00 0.00 43.42 41.86 3kul n LEU 781 CO 0.36 0.30 1.23 -0.44 -1.22 0.00 0.00 177.39 177.62 3kul s SER 782 N -2.49 6.46 -0.03 -1.43 0.01 -0.83 -4.73 113.70 110.66 3kul s SER 782 Ca 0.21 2.84 0.02 0.00 1.31 0.00 0.00 55.95 60.33 3kul s SER 782 Cb 0.19 -2.62 0.01 0.00 0.21 0.00 0.00 66.02 63.80 3kul s SER 782 CO 0.55 -0.86 -0.06 -0.13 0.41 0.00 0.00 173.24 173.15 3kul s ARG 783 N -0.09 0.75 0.32 12.44 1.81 -0.63 -4.98 118.95 128.57 3kul s ARG 783 Ca 0.65 -0.18 -0.29 0.00 -1.72 0.00 0.00 55.73 54.19 3kul s ARG 783 Cb -0.46 -0.74 -0.10 0.00 -0.45 0.00 0.00 34.95 33.20 3kul s ARG 783 CO 0.43 0.03 1.25 0.54 -0.68 0.00 0.00 175.30 176.87 3kul s VAL 784 N 0.43 2.92 0.18 3.52 0.11 -1.26 -1.09 120.40 125.21 3kul s VAL 784 Ca -0.06 0.92 0.05 0.00 -2.93 0.00 0.00 61.98 59.97 3kul s VAL 784 Cb -0.10 -3.58 -0.04 0.00 -1.53 0.00 0.00 36.38 31.13 3kul s VAL 784 CO 0.00 0.22 0.17 -0.76 -3.33 0.00 0.00 175.10 171.40 3kul s LEU 785 N -1.74 3.90 0.71 2.54 1.43 0.35 -4.91 118.68 120.97 3kul s LEU 785 Ca 0.48 -0.10 -0.15 0.00 -1.03 0.00 0.00 54.13 53.33 3kul s LEU 785 Cb -0.37 -2.49 0.03 0.00 0.03 0.00 0.00 46.19 43.38 3kul s LEU 785 CO 0.49 0.04 1.19 -1.83 0.23 0.00 0.00 176.35 176.47 3kul s GLU 786 N -3.27 2.30 -1.45 1.70 1.03 -1.26 -4.88 118.70 112.88 3kul s GLU 786 Ca 0.32 1.68 -0.13 0.00 0.03 0.00 0.00 54.97 56.87 3kul s GLU 786 Cb -0.10 -1.86 -0.01 0.00 -0.80 0.00 0.00 34.13 31.36 3kul s GLU 786 CO 0.25 -1.69 2.42 -3.47 -1.33 0.00 0.00 175.26 171.43 3kul n ASP 787 N -2.62 5.19 -4.13 0.83 2.03 -1.26 -4.70 116.55 111.90 3kul n ASP 787 Ca 0.13 -2.74 -0.17 0.00 0.52 0.00 0.00 54.79 52.53 3kul n ASP 787 Cb 0.51 -1.59 -0.12 0.00 -0.72 0.00 0.00 41.12 39.20 3kul n ASP 787 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 3kul s ASP 788 N 3.02 1.39 0.24 1.67 1.01 -1.26 -5.04 116.67 117.70 3kul s ASP 788 Ca 0.54 -0.56 -0.07 0.00 0.71 0.00 0.00 52.55 53.18 3kul s ASP 788 Cb 0.15 -0.03 0.26 0.00 1.01 0.00 0.00 42.92 44.31 3kul s ASP 788 CO -0.07 -0.10 1.91 -0.65 0.21 0.00 0.00 175.17 176.47 3kul h PRO 789 N 4.50 1.21 -0.73 8.23 0.11 -2.04 -2.53 132.00 140.75 3kul h PRO 789 Ca -0.38 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3kul h PRO 789 Cb 1.19 -0.27 0.00 0.00 0.11 0.00 0.00 31.00 32.03 3kul h PRO 789 CO 0.41 0.80 0.00 -0.25 -0.21 0.00 0.00 178.00 178.75 3kul n ASP 790 N -4.45 3.26 -4.71 -2.05 8.00 -1.26 -4.98 116.55 110.36 3kul n ASP 790 Ca 0.11 -2.42 -0.38 0.00 0.71 0.00 0.00 54.79 52.81 3kul n ASP 790 Cb 0.04 -0.55 0.05 0.00 -0.02 0.00 0.00 41.12 40.63 3kul n ASP 790 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kul n ALA 791 N 0.36 1.22 -3.00 2.24 0.00 -0.95 -5.11 120.51 115.27 3kul n ALA 791 Ca 0.14 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.68 3kul n ALA 791 Cb 0.69 -2.30 0.00 0.00 0.00 0.00 0.00 19.45 17.84 3kul n ALA 791 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kul n ALA 792 N -1.20 0.00 -3.35 0.00 0.00 -1.26 -4.61 120.51 110.10 3kul n ALA 792 Ca 0.11 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.58 3kul n ALA 792 Cb 0.45 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.87 3kul n ALA 792 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3kul s THR 794 N -0.66 -0.78 0.00 0.00 2.01 -1.26 -4.78 115.64 110.18 3kul s THR 794 Ca 0.00 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.00 3kul s THR 794 Cb 0.00 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.51 3kul s THR 794 CO 0.00 0.00 0.00 0.35 -0.69 0.00 0.00 174.62 174.28 3kul n THR 795 N 5.34 0.00 0.00 -0.82 -2.24 -0.48 -5.02 114.28 111.06 3kul n THR 795 Ca -0.07 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 3kul n THR 795 Cb 0.51 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.74 3kul n THR 795 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kul n GLY 797 N 3.05 -1.40 3.48 3.38 0.00 -1.26 -4.97 105.19 107.47 3kul n GLY 797 Ca 0.00 0.73 -0.30 0.00 0.00 0.00 0.00 46.02 46.45 3kul n GLY 797 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kul s GLY 798 N 0.00 1.64 -0.22 -0.02 0.00 -1.26 -5.07 107.32 102.39 3kul s GLY 798 Ca 0.00 -1.26 -0.42 0.00 0.00 0.00 0.00 44.72 43.05 3kul s GLY 798 CO 0.00 -1.19 1.48 0.58 0.00 0.00 0.00 173.10 173.97 3kul n LYS 799 N 1.20 0.56 -3.40 2.90 -0.00 -1.26 -4.92 118.16 113.23 3kul n LYS 799 Ca -0.16 0.20 -0.35 0.00 -0.00 0.00 0.00 58.31 58.01 3kul n LYS 799 Cb 0.52 -1.78 -0.06 0.00 -0.00 0.00 0.00 35.03 33.71 3kul n LYS 799 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.40 178.36 3kul s ILE 800 N 2.05 4.91 -0.89 0.58 -0.00 -1.26 -5.02 121.20 121.57 3kul s ILE 800 Ca 0.96 0.73 -0.25 0.00 -0.00 0.00 0.00 60.65 62.10 3kul s ILE 800 Cb -1.22 -3.71 0.03 0.00 -0.00 0.00 0.00 42.46 37.56 3kul s ILE 800 CO 0.65 0.23 1.42 -2.16 -0.00 0.00 0.00 174.94 175.09 3kul s PRO 801 N -2.00 3.34 0.24 0.37 0.04 -1.26 -4.91 135.00 130.83 3kul s PRO 801 Ca 0.37 -0.66 -0.04 0.00 0.04 0.00 0.00 61.00 60.71 3kul s PRO 801 Cb -0.15 -4.83 0.43 0.00 0.04 0.00 0.00 34.50 30.00 3kul s PRO 801 CO 0.19 -2.26 1.76 0.82 0.04 0.00 0.00 177.00 177.55 3kul h ILE 802 N 6.51 0.74 0.00 0.56 2.04 -1.95 -2.47 117.51 122.95 3kul h ILE 802 Ca -0.02 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.66 3kul h ILE 802 Cb 1.03 0.15 0.00 0.00 -0.74 0.00 0.00 36.82 37.26 3kul h ILE 802 CO 1.35 0.10 0.00 0.03 0.00 0.00 0.00 178.15 179.63 3kul h ARG 803 N 0.55 0.00 -0.12 2.37 3.08 -1.94 -2.78 114.38 115.54 3kul h ARG 803 Ca 0.40 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.45 3kul h ARG 803 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.59 3kul h ARG 803 CO -0.35 0.00 0.00 0.91 -1.07 0.00 0.00 179.97 179.46 3kul n TRP 804 N -2.83 0.14 -4.66 3.04 8.01 -0.94 -5.00 117.44 115.20 3kul n TRP 804 Ca -0.00 -0.17 -0.33 0.00 -1.31 0.00 0.00 57.50 55.69 3kul n TRP 804 Cb 0.20 -0.01 -0.13 0.00 -2.01 0.00 0.00 31.31 29.36 3kul n TRP 804 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.69 177.67 3kul s THR 805 N -0.91 3.47 0.43 -0.99 2.01 -1.05 -3.93 115.64 114.67 3kul s THR 805 Ca 0.15 -0.54 -0.25 0.00 0.31 0.00 0.00 61.69 61.37 3kul s THR 805 Cb 0.10 -2.44 -0.10 0.00 0.01 0.00 0.00 72.50 70.07 3kul s THR 805 CO 0.14 0.56 1.15 0.00 -0.69 0.00 0.00 174.62 175.77 3kul n ALA 806 N 2.85 0.77 0.07 7.40 0.00 -1.26 -4.80 120.51 125.53 3kul n ALA 806 Ca -0.18 0.24 0.03 0.00 0.00 0.00 0.00 53.44 53.53 3kul n ALA 806 Cb 0.53 -2.18 0.42 0.00 0.00 0.00 0.00 19.45 18.22 3kul n ALA 806 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3kul h PRO 807 N 1.76 0.37 0.00 0.00 0.13 -1.96 -1.12 132.00 131.19 3kul h PRO 807 Ca -0.46 -0.05 -0.05 0.00 -0.87 0.00 0.00 66.00 64.57 3kul h PRO 807 Cb 1.32 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 3kul h PRO 807 CO 0.58 0.35 -0.23 1.05 -0.23 0.00 0.00 178.00 179.51 3kul h GLU 808 N 0.37 0.00 0.06 0.86 9.09 -1.91 -2.08 114.58 120.98 3kul h GLU 808 Ca 0.09 0.00 -0.24 0.00 0.05 0.00 0.00 59.36 59.26 3kul h GLU 808 Cb 0.14 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.23 3kul h GLU 808 CO -0.00 0.23 -1.14 0.00 0.05 0.00 0.00 179.01 178.15 3kul h ALA 809 N 1.77 0.24 -0.11 1.06 0.00 -1.35 -1.33 119.26 119.53 3kul h ALA 809 Ca -0.00 -0.91 -0.15 0.00 0.00 0.00 0.00 54.91 53.84 3kul h ALA 809 Cb 0.64 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.38 3kul h ALA 809 CO 0.03 1.13 -0.54 0.82 0.00 0.00 0.00 179.25 180.69 3kul h ILE 810 N 0.04 1.36 0.00 0.00 2.04 -1.25 -2.50 117.51 117.20 3kul h ILE 810 Ca -0.08 -1.85 -0.20 0.00 1.00 0.00 0.00 64.86 63.74 3kul h ILE 810 Cb 1.87 2.17 -0.03 0.00 -0.74 0.00 0.00 36.82 40.09 3kul h ILE 810 CO 0.16 0.56 -1.33 0.00 0.00 0.00 0.00 178.15 177.54 3kul h ALA 811 N 0.48 0.66 0.00 1.87 0.00 -1.47 -3.39 119.26 117.41 3kul h ALA 811 Ca -0.04 -0.97 0.00 0.00 0.00 0.00 0.00 54.91 53.91 3kul h ALA 811 Cb 1.18 0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.21 3kul h ALA 811 CO 0.11 1.09 0.00 1.19 0.00 0.00 0.00 179.25 181.64 3kul n PHE 812 N -3.02 0.00 -3.88 0.00 3.72 -0.51 -5.01 117.46 108.76 3kul n PHE 812 Ca -0.09 -0.04 -0.29 0.00 -0.05 0.00 0.00 57.45 56.98 3kul n PHE 812 Cb 0.89 -0.00 0.03 0.00 -0.94 0.00 0.00 39.48 39.46 3kul n PHE 812 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3kul n ARG 813 N -0.04 -5.71 -3.98 -1.08 1.74 -0.94 -4.86 116.66 101.79 3kul n ARG 813 Ca 0.00 0.62 -0.34 0.00 -0.77 0.00 0.00 57.85 57.36 3kul n ARG 813 Cb 0.09 -5.51 -0.14 0.00 -1.02 0.00 0.00 32.46 25.88 3kul n ARG 813 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 3kul s THR 814 N -3.32 2.65 0.01 0.55 -1.32 -1.23 -1.39 115.64 111.59 3kul s THR 814 Ca 0.62 -1.48 0.01 0.00 -1.21 0.00 0.00 61.69 59.63 3kul s THR 814 Cb -0.31 -2.53 -0.04 0.00 -1.51 0.00 0.00 72.50 68.11 3kul s THR 814 CO 0.82 -0.07 0.06 -0.36 -2.21 0.00 0.00 174.62 172.87 3kul s PHE 815 N 1.19 3.22 0.37 9.09 0.08 -1.26 -3.96 117.98 126.71 3kul s PHE 815 Ca -0.07 0.16 -0.13 0.00 0.12 0.00 0.00 56.93 57.01 3kul s PHE 815 Cb -0.20 -1.70 0.04 0.00 -0.57 0.00 0.00 43.02 40.59 3kul s PHE 815 CO -0.03 0.53 0.71 -1.54 -0.10 0.00 0.00 175.22 174.79 3kul s SER 816 N -1.79 0.23 0.43 1.36 1.04 -1.26 -4.42 113.70 109.28 3kul s SER 816 Ca 0.23 -1.22 0.20 0.00 0.48 0.00 0.00 55.95 55.64 3kul s SER 816 Cb -0.12 0.81 0.97 0.00 0.10 0.00 0.00 66.02 67.78 3kul s SER 816 CO 0.14 -1.59 1.88 0.28 0.98 0.00 0.00 173.24 174.93 3kul h SER 817 N 2.02 0.00 -0.07 7.02 0.02 -1.89 -1.95 113.55 118.71 3kul h SER 817 Ca -0.31 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.55 3kul h SER 817 Cb 1.25 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.77 3kul h SER 817 CO 0.40 0.27 -0.23 0.00 -1.14 0.00 0.00 176.83 176.13 3kul h ALA 818 N 1.73 1.13 -0.02 3.77 0.00 -1.92 -0.24 119.26 123.71 3kul h ALA 818 Ca -0.00 -0.33 -0.16 0.00 0.00 0.00 0.00 54.91 54.42 3kul h ALA 818 Cb 0.62 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 3kul h ALA 818 CO 0.04 0.55 -0.72 0.66 0.00 0.00 0.00 179.25 179.77 3kul h SER 819 N 0.43 0.13 -0.08 0.00 4.64 -1.78 -1.66 113.55 115.23 3kul h SER 819 Ca 0.07 -0.09 -0.06 0.00 -0.47 0.00 0.00 61.79 61.23 3kul h SER 819 Cb 0.63 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.67 3kul h SER 819 CO 0.05 0.80 -0.12 0.44 -0.87 0.00 0.00 176.83 177.13 3kul h ASP 820 N 0.07 0.38 -0.63 4.97 3.32 -1.05 -2.57 116.42 120.93 3kul h ASP 820 Ca -0.02 -0.09 -0.07 0.00 0.02 0.00 0.00 57.03 56.87 3kul h ASP 820 Cb 1.27 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.69 3kul h ASP 820 CO 0.10 0.54 0.11 0.58 -1.72 0.00 0.00 179.24 178.85 3kul h VAL 821 N 0.37 1.26 -0.09 -1.35 2.07 -0.72 -0.37 116.25 117.42 3kul h VAL 821 Ca 0.07 -1.00 0.04 0.00 0.82 0.00 0.00 66.70 66.63 3kul h VAL 821 Cb 0.44 0.70 -0.05 0.00 -1.52 0.00 0.00 31.29 30.86 3kul h VAL 821 CO 0.03 0.37 -0.18 -0.25 0.02 0.00 0.00 177.57 177.56 3kul h TRP 822 N 0.95 -0.48 -0.60 1.57 2.91 -1.15 -1.51 115.95 117.64 3kul h TRP 822 Ca 0.19 0.02 0.04 0.00 1.13 0.00 0.00 58.89 60.27 3kul h TRP 822 Cb 0.42 0.23 -0.03 0.00 -0.51 0.00 0.00 29.16 29.27 3kul h TRP 822 CO 0.03 -0.26 0.40 0.77 -1.03 0.00 0.00 178.44 178.35 3kul h SER 823 N -0.25 0.58 -0.19 2.65 0.02 -1.26 -2.03 113.55 113.07 3kul h SER 823 Ca 0.09 -0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 60.95 3kul h SER 823 Cb 0.37 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.76 3kul h SER 823 CO -0.24 0.40 -0.14 0.15 -1.14 0.00 0.00 176.83 175.86 3kul h PHE 824 N 0.67 0.64 -0.94 3.45 3.57 -0.25 -0.72 116.94 123.37 3kul h PHE 824 Ca 0.24 -0.11 0.06 0.00 3.53 0.00 0.00 57.97 61.69 3kul h PHE 824 Cb 0.13 -0.17 -0.06 0.00 2.79 0.00 0.00 35.95 38.64 3kul h PHE 824 CO -0.00 0.70 0.61 0.78 -2.23 0.00 0.00 178.31 178.17 3kul h GLY 825 N 0.96 1.39 1.14 2.40 0.00 -0.55 -1.09 103.07 107.32 3kul h GLY 825 Ca 0.09 -0.44 -0.19 0.00 0.00 0.00 0.00 47.33 46.79 3kul h GLY 825 CO 0.03 0.33 -0.59 -2.08 0.00 0.00 0.00 176.54 174.24 3kul h VAL 826 N 1.10 1.28 -0.47 4.60 2.07 -1.21 -1.82 116.25 121.80 3kul h VAL 826 Ca 0.40 -1.77 0.04 0.00 0.82 0.00 0.00 66.70 66.19 3kul h VAL 826 Cb 0.15 1.71 -0.04 0.00 -1.52 0.00 0.00 31.29 31.60 3kul h VAL 826 CO -0.15 0.57 0.25 0.58 0.02 0.00 0.00 177.57 178.84 3kul h VAL 827 N 0.63 0.98 -0.52 2.57 2.07 -0.87 -0.11 116.25 121.00 3kul h VAL 827 Ca 0.00 -0.17 0.08 0.00 0.82 0.00 0.00 66.70 67.43 3kul h VAL 827 Cb 1.20 0.45 -0.07 0.00 -1.52 0.00 0.00 31.29 31.35 3kul h VAL 827 CO 0.13 0.09 0.16 0.24 0.02 0.00 0.00 177.57 178.20 3kul h MET 828 N 0.49 0.31 -0.59 1.57 2.86 -1.03 -0.90 114.93 117.64 3kul h MET 828 Ca 0.20 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.82 3kul h MET 828 Cb 0.09 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.65 3kul h MET 828 CO -0.13 0.20 0.35 2.35 1.06 0.00 0.00 176.91 180.74 3kul h TRP 829 N 0.32 0.80 -0.69 -0.22 7.01 -0.59 -1.89 115.95 120.68 3kul h TRP 829 Ca 0.26 -0.01 -0.05 0.00 2.11 0.00 0.00 58.89 61.20 3kul h TRP 829 Cb 0.32 -0.26 -0.03 0.00 -2.10 0.00 0.00 29.16 27.09 3kul h TRP 829 CO -0.19 0.56 0.25 0.93 -2.79 0.00 0.00 178.44 177.20 3kul h GLU 830 N 0.80 1.04 -0.09 2.65 5.08 -0.41 0.38 114.58 124.04 3kul h GLU 830 Ca 0.21 -0.20 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 3kul h GLU 830 Cb 0.00 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.09 3kul h GLU 830 CO -0.04 0.88 -0.01 0.28 -1.00 0.00 0.00 179.01 179.12 3kul h VAL 831 N 0.99 1.27 0.00 3.13 2.07 -1.01 0.61 116.25 123.31 3kul h VAL 831 Ca 0.23 -0.87 -0.04 0.00 0.82 0.00 0.00 66.70 66.83 3kul h VAL 831 Cb 0.24 1.68 -0.01 0.00 -1.52 0.00 0.00 31.29 31.68 3kul h VAL 831 CO -0.01 0.24 -0.21 -0.07 0.02 0.00 0.00 177.57 177.54 3kul h LEU 832 N -0.14 0.00 -1.78 2.57 3.38 -1.22 -0.74 115.31 117.38 3kul h LEU 832 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3kul h LEU 832 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 3kul h LEU 832 CO 0.01 0.21 0.00 0.00 0.09 0.00 0.00 178.44 178.75 3kul n ALA 833 N -2.26 2.42 -3.82 1.53 0.00 0.11 -4.83 120.51 113.67 3kul n ALA 833 Ca -0.01 -0.85 -0.26 0.00 0.00 0.00 0.00 53.44 52.33 3kul n ALA 833 Cb 0.37 -0.96 0.03 0.00 0.00 0.00 0.00 19.45 18.89 3kul n ALA 833 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3kul n TYR 834 N 0.92 -2.10 -0.77 0.00 4.02 -0.28 -2.52 117.16 116.43 3kul n TYR 834 Ca 0.16 0.87 0.00 0.00 -0.01 0.00 0.00 57.90 58.92 3kul n TYR 834 Cb 0.41 -4.16 0.00 0.00 -0.02 0.00 0.00 39.34 35.56 3kul n TYR 834 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3kul n GLY 835 N -1.66 0.59 3.62 2.72 0.00 0.20 -3.54 105.19 107.13 3kul n GLY 835 Ca -0.13 -0.25 -0.36 0.00 0.00 0.00 0.00 46.02 45.28 3kul n GLY 835 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3kul n GLU 836 N -2.77 0.68 -2.49 1.61 2.13 -1.05 -4.93 120.64 113.83 3kul n GLU 836 Ca 0.00 0.28 -0.42 0.00 0.66 0.00 0.00 57.16 57.68 3kul n GLU 836 Cb 0.00 -2.23 -0.03 0.00 0.27 0.00 0.00 31.44 29.45 3kul n GLU 836 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 3kul s ARG 837 N -3.16 4.45 0.27 5.31 3.52 -1.26 -4.83 118.95 123.25 3kul s ARG 837 Ca 0.75 1.68 -0.30 0.00 -0.13 0.00 0.00 55.73 57.74 3kul s ARG 837 Cb -0.37 -3.40 -0.10 0.00 -1.56 0.00 0.00 34.95 29.52 3kul s ARG 837 CO 0.48 -0.24 1.48 -2.14 -0.81 0.00 0.00 175.30 174.06 3kul s PRO 838 N 1.23 4.22 -1.20 5.12 0.02 -1.26 -2.84 135.00 140.29 3kul s PRO 838 Ca 0.57 2.39 -0.04 0.00 0.02 0.00 0.00 61.00 63.93 3kul s PRO 838 Cb -0.27 -3.08 -0.02 0.00 0.02 0.00 0.00 34.50 31.16 3kul s PRO 838 CO 0.28 -0.47 0.84 0.66 -0.33 0.00 0.00 177.00 177.98 3kul n TYR 839 N 2.09 -2.11 0.29 6.54 4.01 -1.26 -4.85 117.16 121.87 3kul n TYR 839 Ca 0.06 0.82 0.16 0.00 -0.16 0.00 0.00 57.90 58.78 3kul n TYR 839 Cb 0.39 -4.39 0.85 0.00 -0.31 0.00 0.00 39.34 35.89 3kul n TYR 839 CO 0.00 0.00 0.00 0.11 -0.46 0.00 0.00 176.86 176.51 3kul h TRP 840 N -1.70 0.00 -0.02 -0.72 5.08 -1.95 -2.35 115.95 114.29 3kul h TRP 840 Ca -0.61 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.36 3kul h TRP 840 Cb 1.34 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.50 3kul h TRP 840 CO 0.40 0.06 -0.07 0.27 -1.28 0.00 0.00 178.44 177.82 3kul n ASN 841 N -3.49 2.45 -4.37 0.11 6.94 -1.26 -4.96 115.26 110.67 3kul n ASN 841 Ca -0.02 -1.77 -0.30 0.00 -0.02 0.00 0.00 54.58 52.47 3kul n ASN 841 Cb 0.19 0.07 -0.14 0.00 -2.36 0.00 0.00 39.78 37.53 3kul n ASN 841 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 3kul s MET 842 N -2.09 1.83 0.87 -3.83 -1.94 -0.89 -5.13 119.30 108.13 3kul s MET 842 Ca 0.29 -1.10 -0.12 0.00 -1.71 0.00 0.00 55.69 53.05 3kul s MET 842 Cb 0.20 -2.02 0.11 0.00 2.01 0.00 0.00 34.83 35.14 3kul s MET 842 CO 0.35 0.51 1.12 0.95 -0.01 0.00 0.00 175.02 177.94 3kul s THR 843 N -0.85 2.47 0.18 2.05 -4.23 -1.26 -4.83 115.64 109.16 3kul s THR 843 Ca 0.12 0.15 -0.14 0.00 -1.18 0.00 0.00 61.69 60.65 3kul s THR 843 Cb -0.10 -2.87 0.07 0.00 1.34 0.00 0.00 72.50 70.94 3kul s THR 843 CO 0.03 -0.20 1.81 0.78 -0.54 0.00 0.00 174.62 176.49 3kul h ASN 844 N -1.36 0.45 -0.78 3.99 4.21 -1.99 -0.59 115.58 119.52 3kul h ASN 844 Ca -0.49 0.01 0.05 0.00 1.21 0.00 0.00 56.30 57.08 3kul h ASN 844 Cb 1.30 -0.08 -0.05 0.00 -1.12 0.00 0.00 38.32 38.37 3kul h ASN 844 CO 0.60 0.32 0.48 -0.09 -1.29 0.00 0.00 177.43 177.45 3kul h ARG 845 N 0.57 0.87 -0.93 0.81 9.65 -2.00 -1.67 114.38 121.68 3kul h ARG 845 Ca 0.21 -0.05 -0.00 0.00 -1.10 0.00 0.00 59.98 59.03 3kul h ARG 845 Cb 0.05 -0.20 -0.05 0.00 -1.39 0.00 0.00 29.97 28.39 3kul h ARG 845 CO -0.11 0.58 0.58 0.22 2.80 0.00 0.00 179.97 184.04 3kul h ASP 846 N 0.90 1.10 -0.47 -3.80 3.58 -1.82 -1.87 116.42 114.03 3kul h ASP 846 Ca 0.33 -0.05 -0.02 0.00 0.42 0.00 0.00 57.03 57.70 3kul h ASP 846 Cb 0.11 -0.28 -0.02 0.00 1.72 0.00 0.00 39.33 40.86 3kul h ASP 846 CO -0.15 0.83 0.21 0.58 -2.88 0.00 0.00 179.24 177.83 3kul h VAL 847 N 1.27 1.20 0.14 2.25 2.07 -0.47 -1.28 116.25 121.42 3kul h VAL 847 Ca 0.34 -0.58 -0.01 0.00 0.82 0.00 0.00 66.70 67.27 3kul h VAL 847 Cb -0.09 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 3kul h VAL 847 CO -0.07 0.22 -0.07 0.40 0.02 0.00 0.00 177.57 178.08 3kul h ILE 848 N 0.62 0.97 -0.38 4.57 2.04 -1.10 -2.68 117.51 121.56 3kul h ILE 848 Ca 0.16 -0.42 -0.15 0.00 1.00 0.00 0.00 64.86 65.45 3kul h ILE 848 Cb 0.15 1.23 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 3kul h ILE 848 CO -0.02 0.10 -0.36 0.77 0.00 0.00 0.00 178.15 178.65 3kul h SER 849 N -0.38 0.96 -0.14 1.72 4.64 -1.37 -2.53 113.55 116.45 3kul h SER 849 Ca -0.02 -0.46 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 3kul h SER 849 Cb 0.30 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.12 3kul h SER 849 CO 0.03 1.23 0.09 0.28 -0.87 0.00 0.00 176.83 177.59 3kul h SER 850 N 0.72 0.15 -0.53 4.97 0.02 -1.30 -2.17 113.55 115.41 3kul h SER 850 Ca 0.06 -0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.96 3kul h SER 850 Cb 0.95 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 63.43 3kul h SER 850 CO 0.09 0.11 0.15 0.58 -1.14 0.00 0.00 176.83 176.62 3kul h VAL 851 N 0.18 1.24 0.00 2.27 2.07 -1.48 -0.58 116.25 119.95 3kul h VAL 851 Ca 0.05 -0.82 -0.06 0.00 0.82 0.00 0.00 66.70 66.69 3kul h VAL 851 Cb -0.02 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 3kul h VAL 851 CO -0.02 0.30 -0.30 1.05 0.02 0.00 0.00 177.57 178.63 3kul h GLU 852 N 0.74 0.00 -0.00 1.57 4.11 -1.40 -1.52 114.58 118.08 3kul h GLU 852 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.60 3kul h GLU 852 Cb 0.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 3kul h GLU 852 CO -0.00 0.30 -0.02 0.39 0.07 0.00 0.00 179.01 179.75 3kul n GLU 853 N -3.97 0.87 0.00 1.06 1.02 -0.82 -4.92 120.64 113.87 3kul n GLU 853 Ca -0.02 -0.13 0.00 0.00 -0.02 0.00 0.00 57.16 56.99 3kul n GLU 853 Cb 0.36 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.29 3kul n GLU 853 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kul n GLY 854 N 1.14 1.65 3.75 0.62 0.00 -0.57 -5.06 105.19 106.72 3kul n GLY 854 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 3kul n GLY 854 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3kul n TYR 855 N -0.31 2.84 -4.26 1.61 9.36 -0.31 -4.96 117.16 121.14 3kul n TYR 855 Ca 0.00 0.36 -0.17 0.00 3.32 0.00 0.00 57.90 61.40 3kul n TYR 855 Cb 0.00 -2.55 -0.14 0.00 -0.63 0.00 0.00 39.34 36.02 3kul n TYR 855 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 3kul s ARG 856 N -1.20 0.65 0.18 2.98 1.81 -1.26 -4.27 118.95 117.84 3kul s ARG 856 Ca 0.60 -0.44 -0.33 0.00 -1.72 0.00 0.00 55.73 53.84 3kul s ARG 856 Cb -0.50 -0.60 -0.15 0.00 -0.45 0.00 0.00 34.95 33.25 3kul s ARG 856 CO 0.55 0.15 1.27 1.28 -0.68 0.00 0.00 175.30 177.88 3kul n LEU 857 N 2.48 2.03 -4.81 2.53 4.77 -1.26 -4.94 117.00 117.80 3kul n LEU 857 Ca -0.16 1.13 -0.33 0.00 -0.03 0.00 0.00 56.01 56.63 3kul n LEU 857 Cb 0.56 -1.28 -0.03 0.00 -2.33 0.00 0.00 43.42 40.35 3kul n LEU 857 CO 0.24 -1.00 0.70 -2.84 -1.33 0.00 0.00 177.39 173.16 3kul s PRO 858 N -0.18 3.77 -0.28 3.23 0.02 -1.26 -4.96 135.00 135.34 3kul s PRO 858 Ca 0.74 1.22 -0.37 0.00 0.02 0.00 0.00 61.00 62.60 3kul s PRO 858 Cb -0.81 -2.10 -0.13 0.00 0.02 0.00 0.00 34.50 31.48 3kul s PRO 858 CO 0.50 -0.44 1.95 0.00 -0.33 0.00 0.00 177.00 178.68 3kul n ALA 859 N -1.28 0.48 -1.72 -1.55 0.00 -1.26 -4.94 120.51 110.23 3kul n ALA 859 Ca 0.08 0.20 -0.39 0.00 0.00 0.00 0.00 53.44 53.33 3kul n ALA 859 Cb 0.53 -2.39 0.03 0.00 0.00 0.00 0.00 19.45 17.63 3kul n ALA 859 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3kul n PRO 860 N 6.74 1.77 -1.55 0.00 -0.02 -1.26 -4.87 135.00 135.81 3kul n PRO 860 Ca 0.32 0.64 -0.58 0.00 -2.02 0.00 0.00 63.50 61.86 3kul n PRO 860 Cb 0.19 -2.49 -0.08 0.00 -0.02 0.00 0.00 33.50 31.10 3kul n PRO 860 CO 0.00 0.00 0.00 -0.12 1.98 0.00 0.00 175.50 177.36 3kul n MET 861 N -0.59 0.29 -0.02 -0.52 0.00 -1.26 -1.14 117.12 113.89 3kul n MET 861 Ca 0.09 0.11 0.00 0.00 -0.00 0.00 0.00 57.70 57.89 3kul n MET 861 Cb 0.43 -1.64 0.00 0.00 0.00 0.00 0.00 33.22 32.01 3kul n MET 861 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3kul n GLY 862 N 2.03 1.41 3.69 -5.12 0.00 -1.26 -4.92 105.19 101.02 3kul n GLY 862 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 3kul n GLY 862 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kul s PRO 864 N 2.14 2.86 0.13 0.00 0.04 -1.26 -4.83 135.00 134.07 3kul s PRO 864 Ca 0.59 1.69 -0.19 0.00 0.04 0.00 0.00 61.00 63.13 3kul s PRO 864 Cb -0.28 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.29 3kul s PRO 864 CO 0.25 -1.26 1.76 0.45 0.04 0.00 0.00 177.00 178.23 3kul h HIS 865 N 0.56 0.19 -0.97 0.56 3.86 -1.99 -0.99 115.15 116.36 3kul h HIS 865 Ca -0.49 0.01 0.20 0.00 -1.16 0.00 0.00 60.37 58.93 3kul h HIS 865 Cb 1.28 -0.05 -0.09 0.00 1.06 0.00 0.00 27.41 29.61 3kul h HIS 865 CO 0.49 0.10 0.61 0.00 0.86 0.00 0.00 177.93 180.00 3kul h ALA 866 N 1.12 1.89 -0.16 2.45 0.00 -1.99 0.15 119.26 122.73 3kul h ALA 866 Ca 0.09 0.05 -0.21 0.00 0.00 0.00 0.00 54.91 54.85 3kul h ALA 866 Cb 0.04 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.77 3kul h ALA 866 CO -0.08 -0.23 -0.73 -0.07 0.00 0.00 0.00 179.25 178.14 3kul h LEU 867 N 0.63 0.92 -0.60 0.00 3.38 -1.59 -1.94 115.31 116.10 3kul h LEU 867 Ca 0.54 -0.62 -0.05 0.00 0.09 0.00 0.00 57.88 57.84 3kul h LEU 867 Cb 1.02 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.48 3kul h LEU 867 CO -0.30 1.39 0.19 -0.74 0.09 0.00 0.00 178.44 179.07 3kul h HIS 868 N 0.51 0.96 -0.47 1.13 2.76 -0.44 -1.61 115.15 117.98 3kul h HIS 868 Ca -0.05 -0.09 0.05 0.00 -2.20 0.00 0.00 60.37 58.08 3kul h HIS 868 Cb 1.36 -0.28 -0.05 0.00 1.55 0.00 0.00 27.41 29.99 3kul h HIS 868 CO 0.09 0.79 0.21 0.37 -1.30 0.00 0.00 177.93 178.09 3kul h GLN 869 N 0.85 0.40 -0.59 5.26 5.75 -0.72 -1.27 115.11 124.79 3kul h GLN 869 Ca 0.19 -0.02 -0.04 0.00 -0.15 0.00 0.00 58.65 58.63 3kul h GLN 869 Cb 0.28 -0.09 -0.03 0.00 1.07 0.00 0.00 27.48 28.71 3kul h GLN 869 CO -0.01 0.26 0.22 1.25 -2.65 0.00 0.00 178.83 177.91 3kul h LEU 870 N 0.41 0.80 0.07 -2.39 5.85 -0.98 -0.88 115.31 118.18 3kul h LEU 870 Ca 0.21 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.82 3kul h LEU 870 Cb 0.17 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 40.99 3kul h LEU 870 CO -0.18 0.73 -0.06 0.24 -0.34 0.00 0.00 178.44 178.83 3kul h MET 871 N 0.85 -0.13 -0.73 1.25 2.86 -0.90 -1.28 114.93 116.85 3kul h MET 871 Ca 0.20 0.01 0.08 0.00 -2.06 0.00 0.00 59.70 57.93 3kul h MET 871 Cb 0.19 0.03 -0.07 0.00 0.06 0.00 0.00 31.60 31.82 3kul h MET 871 CO -0.02 -0.09 0.40 -0.07 1.06 0.00 0.00 176.91 178.19 3kul h LEU 872 N -0.14 0.56 -0.44 1.22 3.38 -0.75 -1.08 115.31 118.07 3kul h LEU 872 Ca 0.00 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3kul h LEU 872 Cb 0.13 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 3kul h LEU 872 CO -0.01 0.34 0.29 0.44 0.09 0.00 0.00 178.44 179.59 3kul h ASP 873 N 0.69 0.51 -0.09 -0.43 3.32 -1.00 -0.82 116.42 118.61 3kul h ASP 873 Ca 0.35 -0.02 0.02 0.00 0.02 0.00 0.00 57.03 57.40 3kul h ASP 873 Cb 0.30 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.72 3kul h ASP 873 CO -0.23 0.37 0.12 0.00 -1.72 0.00 0.00 179.24 177.78 3kul n TRP 875 N -3.67 1.99 -1.71 0.00 8.01 -0.33 -3.57 117.44 118.16 3kul n TRP 875 Ca -0.01 -1.11 -0.43 0.00 -1.31 0.00 0.00 57.50 54.64 3kul n TRP 875 Cb 0.21 -0.57 -0.03 0.00 -2.01 0.00 0.00 31.31 28.91 3kul n TRP 875 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.69 178.26 3kul n HIS 876 N -0.20 2.65 -0.31 -5.99 -0.00 -0.91 -4.87 115.22 105.58 3kul n HIS 876 Ca 0.35 0.14 0.12 0.00 0.46 0.00 0.00 57.72 58.78 3kul n HIS 876 Cb 1.24 -2.63 0.30 0.00 -0.12 0.00 0.00 29.99 28.78 3kul n HIS 876 CO 0.00 0.00 0.00 1.57 0.46 0.00 0.00 176.34 178.37 3kul h LYS 877 N 6.17 0.49 -5.41 1.57 -0.00 -1.92 -3.38 116.57 114.09 3kul h LYS 877 Ca -0.44 -0.03 -0.63 0.00 -0.00 0.00 0.00 60.65 59.55 3kul h LYS 877 Cb 1.22 -0.11 -0.13 0.00 -0.00 0.00 0.00 32.23 33.21 3kul h LYS 877 CO 0.91 0.32 0.07 0.34 -0.00 0.00 0.00 179.45 181.10 3kul s ASP 878 N -5.26 6.43 0.48 7.07 2.15 -1.26 -4.93 116.67 121.35 3kul s ASP 878 Ca -0.12 0.28 0.14 0.00 0.43 0.00 0.00 52.55 53.29 3kul s ASP 878 Cb 0.25 -2.31 1.15 0.00 -0.30 0.00 0.00 42.92 41.71 3kul s ASP 878 CO 0.78 -0.47 2.09 0.08 -0.17 0.00 0.00 175.17 177.49 3kul h ARG 879 N 8.28 0.19 0.00 4.34 0.11 -1.97 0.61 114.38 125.93 3kul h ARG 879 Ca -0.27 -0.01 -0.02 0.00 0.10 0.00 0.00 59.98 59.77 3kul h ARG 879 Cb 1.12 -0.04 -0.00 0.00 1.11 0.00 0.00 29.97 32.16 3kul h ARG 879 CO 0.79 0.12 -0.11 0.00 0.10 0.00 0.00 179.97 180.87 3kul h ALA 880 N 1.87 1.02 -0.01 0.08 0.00 -1.93 -2.61 119.26 117.69 3kul h ALA 880 Ca 0.09 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kul h ALA 880 Cb 0.14 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3kul h ALA 880 CO -0.02 0.13 -0.07 1.04 0.00 0.00 0.00 179.25 180.33 3kul n GLN 881 N -3.25 1.43 -1.97 0.00 6.02 0.20 -4.91 117.38 114.90 3kul n GLN 881 Ca 0.00 -0.83 -0.33 0.00 -0.01 0.00 0.00 57.00 55.83 3kul n GLN 881 Cb 0.36 -1.48 0.02 0.00 1.02 0.00 0.00 30.24 30.16 3kul n GLN 881 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3kul s ARG 882 N -2.15 3.16 0.76 -1.09 0.52 -0.98 -4.90 118.95 114.27 3kul s ARG 882 Ca 0.34 1.27 -0.11 0.00 -0.52 0.00 0.00 55.73 56.71 3kul s ARG 882 Cb 0.20 -2.01 0.05 0.00 0.52 0.00 0.00 34.95 33.72 3kul s ARG 882 CO 0.39 -0.94 1.09 -1.25 0.02 0.00 0.00 175.30 174.61 3kul s PRO 883 N -4.05 2.31 0.48 3.54 0.04 -1.26 -5.05 135.00 131.01 3kul s PRO 883 Ca 0.65 1.20 -0.01 0.00 0.04 0.00 0.00 61.00 62.88 3kul s PRO 883 Cb -0.18 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.46 3kul s PRO 883 CO 0.38 -1.61 0.72 1.03 0.04 0.00 0.00 177.00 177.56 3kul s ARG 884 N -4.80 3.00 0.41 4.56 1.81 -1.26 -4.92 118.95 117.74 3kul s ARG 884 Ca 0.62 -0.42 0.08 0.00 -1.72 0.00 0.00 55.73 54.29 3kul s ARG 884 Cb -0.18 -2.50 0.87 0.00 -0.45 0.00 0.00 34.95 32.70 3kul s ARG 884 CO 0.54 -0.39 2.03 0.74 -0.68 0.00 0.00 175.30 177.55 3kul h PHE 885 N 0.26 0.54 -0.33 -0.53 0.04 -1.93 -1.70 116.94 113.28 3kul h PHE 885 Ca -0.46 0.01 -0.05 0.00 2.80 0.00 0.00 57.97 60.28 3kul h PHE 885 Cb 1.26 -0.18 -0.02 0.00 2.20 0.00 0.00 35.95 39.21 3kul h PHE 885 CO 0.45 0.32 -0.00 0.66 -0.60 0.00 0.00 178.31 179.14 3kul h SER 886 N 0.56 0.48 -0.40 2.17 4.64 -1.94 0.88 113.55 119.95 3kul h SER 886 Ca 0.20 -0.09 -0.13 0.00 -0.47 0.00 0.00 61.79 61.30 3kul h SER 886 Cb 0.10 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.05 3kul h SER 886 CO -0.05 0.55 -0.25 1.56 -0.87 0.00 0.00 176.83 177.77 3kul h GLN 887 N 0.50 0.88 -0.39 4.77 4.20 -1.72 -2.10 115.11 121.24 3kul h GLN 887 Ca 0.11 -0.41 -0.01 0.00 0.06 0.00 0.00 58.65 58.40 3kul h GLN 887 Cb 0.32 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.07 3kul h GLN 887 CO 0.01 1.06 0.22 0.82 -0.67 0.00 0.00 178.83 180.27 3kul h ILE 888 N 0.70 1.15 -0.63 2.54 2.04 -0.69 -1.24 117.51 121.38 3kul h ILE 888 Ca 0.08 -0.37 -0.01 0.00 1.00 0.00 0.00 64.86 65.56 3kul h ILE 888 Cb 0.83 0.68 -0.03 0.00 -0.74 0.00 0.00 36.82 37.56 3kul h ILE 888 CO 0.07 0.15 0.34 0.58 0.00 0.00 0.00 178.15 179.29 3kul h VAL 889 N 0.51 1.20 -0.08 1.67 2.07 -0.80 -1.86 116.25 118.96 3kul h VAL 889 Ca 0.14 -0.51 -0.11 0.00 0.82 0.00 0.00 66.70 67.05 3kul h VAL 889 Cb 0.05 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 3kul h VAL 889 CO -0.02 0.22 -0.44 0.77 0.02 0.00 0.00 177.57 178.12 3kul h SER 890 N 0.85 0.20 -0.40 0.57 4.64 -1.14 0.21 113.55 118.48 3kul h SER 890 Ca 0.22 -0.09 -0.03 0.00 -0.47 0.00 0.00 61.79 61.43 3kul h SER 890 Cb 0.04 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 62.06 3kul h SER 890 CO -0.04 0.62 0.15 0.58 -0.87 0.00 0.00 176.83 177.27 3kul h VAL 891 N 0.16 1.20 -0.51 0.95 2.07 -0.81 0.17 116.25 119.48 3kul h VAL 891 Ca 0.01 -0.64 -0.12 0.00 0.82 0.00 0.00 66.70 66.77 3kul h VAL 891 Cb 0.84 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 3kul h VAL 891 CO 0.07 0.23 -0.14 -0.07 0.02 0.00 0.00 177.57 177.68 3kul h LEU 892 N 0.50 1.00 -1.05 2.57 3.38 -1.05 -1.98 115.31 118.67 3kul h LEU 892 Ca 0.13 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.74 3kul h LEU 892 Cb 0.22 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.65 3kul h LEU 892 CO -0.01 1.14 0.59 0.44 0.09 0.00 0.00 178.44 180.69 3kul h ASP 893 N 0.86 1.08 -0.32 -0.43 3.32 -0.36 -1.68 116.42 118.89 3kul h ASP 893 Ca 0.13 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 3kul h ASP 893 Cb 0.70 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 3kul h ASP 893 CO 0.05 0.80 0.15 0.00 -1.72 0.00 0.00 179.24 178.53 3kul h ALA 894 N 1.39 0.41 0.00 3.45 0.00 -0.42 0.27 119.26 124.36 3kul h ALA 894 Ca 0.34 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 3kul h ALA 894 Cb -0.11 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 3kul h ALA 894 CO -0.07 -0.02 -0.00 -0.07 0.00 0.00 0.00 179.25 179.08 3kul h LEU 895 N 0.38 0.00 0.05 0.00 3.38 -0.98 0.74 115.31 118.88 3kul h LEU 895 Ca 0.11 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.79 3kul h LEU 895 Cb 0.12 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 3kul h LEU 895 CO -0.01 0.00 -1.55 -0.38 0.09 0.00 0.00 178.44 176.59 3kul n ILE 896 N -3.18 1.63 0.10 1.22 5.41 -0.67 -3.71 119.36 120.17 3kul n ILE 896 Ca -0.03 -0.26 -0.04 0.00 1.00 0.00 0.00 62.75 63.42 3kul n ILE 896 Cb 0.10 -1.93 0.11 0.00 -0.71 0.00 0.00 39.64 37.22 3kul n ILE 896 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 3kul h ARG 897 N -0.62 0.14 -2.19 0.38 3.08 -0.14 -3.33 114.38 111.70 3kul h ARG 897 Ca -0.38 -0.11 -0.56 0.00 0.07 0.00 0.00 59.98 59.00 3kul h ARG 897 Cb 1.57 0.02 -0.41 0.00 0.08 0.00 0.00 29.97 31.23 3kul h ARG 897 CO -0.11 0.75 -0.80 0.43 -1.07 0.00 0.00 179.97 179.17 3kul n SER 898 N -3.80 3.31 0.00 7.04 7.64 0.26 -5.06 113.62 123.00 3kul n SER 898 Ca -0.02 -3.45 0.00 0.00 1.01 0.00 0.00 58.87 56.41 3kul n SER 898 Cb 0.65 -0.59 0.00 0.00 -1.01 0.00 0.00 64.21 63.27 3kul n SER 898 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38