#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 0.18 -1.81 1.09 1.74 -1.26 -4.92 116.66 111.69 3kul n ARG 628 Ca 0.00 -0.14 -0.42 0.00 -0.77 0.00 0.00 57.85 56.52 3kul n ARG 628 Cb 0.00 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 29.91 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 -2.91 4.16 -0.15 5.56 2.56 -1.26 -0.97 118.70 125.68 3kul s GLU 629 Ca 0.11 2.51 -0.03 0.00 0.00 0.00 0.00 54.97 57.57 3kul s GLU 629 Cb 0.17 -3.12 -0.02 0.00 2.00 0.00 0.00 34.13 33.15 3kul s GLU 629 CO 0.78 -0.70 -0.07 0.42 -0.56 0.00 0.00 175.26 175.13 3kul s ILE 630 N 1.22 3.56 0.25 -3.70 1.01 0.19 -4.87 121.20 118.88 3kul s ILE 630 Ca 0.73 -0.47 -0.30 0.00 0.00 0.00 0.00 60.65 60.61 3kul s ILE 630 Cb -0.47 -2.55 -0.09 0.00 0.01 0.00 0.00 42.46 39.36 3kul s ILE 630 CO 0.32 0.50 1.03 -1.83 0.00 0.00 0.00 174.94 174.96 3kul s GLU 631 N 0.48 4.72 0.31 2.79 4.04 -1.26 -4.62 118.70 125.16 3kul s GLU 631 Ca -0.05 1.67 0.07 0.00 0.04 0.00 0.00 54.97 56.70 3kul s GLU 631 Cb -0.15 -3.23 0.79 0.00 0.02 0.00 0.00 34.13 31.55 3kul s GLU 631 CO 0.03 0.32 1.77 0.00 -1.84 0.00 0.00 175.26 175.55 3kul h ALA 632 N 4.07 1.72 0.00 -0.84 0.00 -1.98 -1.52 119.26 120.72 3kul h ALA 632 Ca -0.46 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3kul h ALA 632 Cb 1.21 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3kul h ALA 632 CO 0.68 -0.11 0.00 -1.13 0.00 0.00 0.00 179.25 178.68 3kul n SER 633 N -4.78 0.11 0.00 0.00 3.41 -1.26 -1.83 113.62 109.27 3kul n SER 633 Ca 0.24 0.54 0.13 0.00 -0.26 0.00 0.00 58.87 59.52 3kul n SER 633 Cb 0.62 -0.56 0.62 0.00 -0.26 0.00 0.00 64.21 64.63 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 -1.63 0.09 -4.09 4.33 1.74 -0.57 -4.79 116.66 111.73 3kul n ARG 634 Ca 0.01 0.02 -0.34 0.00 -0.77 0.00 0.00 57.85 56.77 3kul n ARG 634 Cb 0.09 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 29.92 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 -2.90 4.51 -0.15 0.55 1.01 -0.76 -0.62 121.20 122.84 3kul s ILE 635 Ca 0.16 -0.13 -0.01 0.00 0.00 0.00 0.00 60.65 60.67 3kul s ILE 635 Cb 0.18 -3.03 -0.01 0.00 0.01 0.00 0.00 42.46 39.61 3kul s ILE 635 CO 0.49 0.46 -0.11 -2.28 0.00 0.00 0.00 174.94 173.50 3kul s HIS 636 N 0.46 2.86 -0.17 3.97 5.65 0.28 -4.99 115.29 123.36 3kul s HIS 636 Ca 0.01 -0.71 -0.05 0.00 0.25 0.00 0.00 55.06 54.56 3kul s HIS 636 Cb -0.13 -1.91 -0.03 0.00 -1.18 0.00 0.00 32.58 29.33 3kul s HIS 636 CO 0.01 -0.28 0.00 0.42 -0.65 0.00 0.00 174.74 174.24 3kul s ILE 637 N 0.61 4.20 0.00 0.89 1.01 -1.26 -0.88 121.20 125.77 3kul s ILE 637 Ca -0.06 -0.24 0.00 0.00 0.00 0.00 0.00 60.65 60.34 3kul s ILE 637 Cb -0.15 -2.87 0.00 0.00 0.01 0.00 0.00 42.46 39.45 3kul s ILE 637 CO 0.03 0.47 0.00 -1.84 0.00 0.00 0.00 174.94 173.60 3kul n GLU 638 N 3.69 4.04 -3.81 2.79 0.28 0.10 -4.97 120.64 122.76 3kul n GLU 638 Ca -0.17 0.00 -0.13 0.00 -0.16 0.00 0.00 57.16 56.70 3kul n GLU 638 Cb 0.52 -0.71 -0.14 0.00 1.43 0.00 0.00 31.44 32.55 3kul n GLU 638 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 177.13 177.18 3kul s LYS 639 N -1.41 0.07 -0.03 3.44 2.20 -0.93 -4.98 119.74 118.09 3kul s LYS 639 Ca 0.00 0.18 0.02 0.00 -0.36 0.00 0.00 55.97 55.81 3kul s LYS 639 Cb 0.00 -0.05 0.01 0.00 -1.51 0.00 0.00 37.83 36.28 3kul s LYS 639 CO 0.00 -0.07 -0.08 0.42 -0.36 0.00 0.00 175.35 175.26 3kul s ILE 640 N 0.44 0.74 0.01 5.43 1.01 -1.26 -1.43 121.20 126.14 3kul s ILE 640 Ca -0.03 -0.30 0.01 0.00 0.00 0.00 0.00 60.65 60.32 3kul s ILE 640 Cb -0.05 -0.68 -0.01 0.00 0.01 0.00 0.00 42.46 41.73 3kul s ILE 640 CO -0.02 0.25 -0.04 -0.63 0.00 0.00 0.00 174.94 174.50 3kul s ILE 641 N 0.42 0.25 0.38 2.92 1.01 0.76 -4.98 121.20 121.97 3kul s ILE 641 Ca -0.07 -0.40 -0.28 0.00 0.00 0.00 0.00 60.65 59.91 3kul s ILE 641 Cb -0.11 -0.26 -0.11 0.00 0.01 0.00 0.00 42.46 41.99 3kul s ILE 641 CO 0.01 -0.10 1.46 0.61 0.00 0.00 0.00 174.94 176.92 3kul n GLY 642 N 2.54 1.11 2.75 6.18 0.00 -1.26 -0.41 105.19 116.10 3kul n GLY 642 Ca -0.16 0.30 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 3kul n GLY 642 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kul s SER 643 N -0.19 3.87 1.35 1.61 0.15 0.65 -4.71 113.70 116.43 3kul s SER 643 Ca 0.54 -2.31 0.00 0.00 0.70 0.00 0.00 55.95 54.88 3kul s SER 643 Cb -0.48 -1.05 0.00 0.00 -1.71 0.00 0.00 66.02 62.78 3kul s SER 643 CO 0.63 -0.32 0.00 0.61 1.20 0.00 0.00 173.24 175.36 3kul n GLY 644 N 3.97 3.45 0.13 9.45 0.00 -1.26 -2.41 105.19 118.52 3kul n GLY 644 Ca 0.05 0.07 -0.21 0.00 0.00 0.00 0.00 46.02 45.93 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 5.08 2.06 -0.88 1.61 5.75 -1.26 -4.65 116.55 124.26 3kul n ASP 645 Ca 0.00 0.17 0.01 0.00 -0.01 0.00 0.00 54.79 54.96 3kul n ASP 645 Cb 0.00 -0.78 0.01 0.00 -1.03 0.00 0.00 41.12 39.32 3kul n ASP 645 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 3kul n SER 646 N -3.58 0.34 -4.44 -1.12 3.41 -1.26 -5.08 113.62 101.90 3kul n SER 646 Ca -0.36 -1.96 -0.22 0.00 -0.26 0.00 0.00 58.87 56.07 3kul n SER 646 Cb 0.99 -0.21 -0.10 0.00 -0.26 0.00 0.00 64.21 64.62 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 -1.33 1.76 0.06 5.00 0.00 -1.01 -2.04 107.32 109.77 3kul s GLY 647 Ca 0.13 -1.83 0.00 0.00 0.00 0.00 0.00 44.72 43.02 3kul s GLY 647 CO -0.06 -1.91 -0.05 -1.83 0.00 0.00 0.00 173.10 169.26 3kul s GLU 648 N -3.56 0.65 -0.05 2.90 -1.05 -0.50 -0.25 118.70 116.84 3kul s GLU 648 Ca 0.28 -1.17 0.05 0.00 -0.15 0.00 0.00 54.97 53.98 3kul s GLU 648 Cb -0.03 0.02 -0.01 0.00 -0.44 0.00 0.00 34.13 33.67 3kul s GLU 648 CO 0.13 -0.06 -0.20 0.08 0.95 0.00 0.00 175.26 176.16 3kul s VAL 649 N -3.38 1.61 0.10 1.83 1.01 0.45 -0.92 120.40 121.11 3kul s VAL 649 Ca 0.05 -0.82 0.06 0.00 0.00 0.00 0.00 61.98 61.27 3kul s VAL 649 Cb 0.04 -1.38 -0.03 0.00 0.00 0.00 0.00 36.38 35.01 3kul s VAL 649 CO -0.06 0.46 -0.15 0.00 0.00 0.00 0.00 175.10 175.35 3kul s TYR 651 N -1.72 2.03 -0.04 0.00 2.02 -0.51 0.06 117.35 119.18 3kul s TYR 651 Ca 0.04 -0.40 0.00 0.00 -0.37 0.00 0.00 57.07 56.34 3kul s TYR 651 Cb -0.07 -1.13 0.00 0.00 -0.40 0.00 0.00 41.96 40.36 3kul s TYR 651 CO 0.03 0.23 0.00 0.41 -1.57 0.00 0.00 175.55 174.65 3kul n GLY 652 N 1.18 -0.97 3.06 0.71 0.00 -0.86 -0.72 105.19 107.58 3kul n GLY 652 Ca -0.18 -0.06 -0.13 0.00 0.00 0.00 0.00 46.02 45.65 3kul n GLY 652 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kul s ARG 653 N -0.04 0.52 -0.13 1.61 0.52 -0.06 -1.16 118.95 120.21 3kul s ARG 653 Ca 0.00 -0.76 0.02 0.00 -0.52 0.00 0.00 55.73 54.47 3kul s ARG 653 Cb 0.00 -0.25 -0.00 0.00 0.52 0.00 0.00 34.95 35.22 3kul s ARG 653 CO 0.00 0.04 -0.19 -1.17 0.02 0.00 0.00 175.30 173.99 3kul s LEU 654 N -1.61 2.30 0.15 2.53 2.96 0.66 -0.55 118.68 125.10 3kul s LEU 654 Ca -0.10 -0.51 -0.30 0.00 -0.22 0.00 0.00 54.13 53.00 3kul s LEU 654 Cb -0.10 -1.49 -0.08 0.00 0.50 0.00 0.00 46.19 45.03 3kul s LEU 654 CO 0.00 0.12 1.30 -0.13 -1.32 0.00 0.00 176.35 176.32 3kul s ARG 655 N 0.58 4.39 -0.15 1.98 1.81 0.21 -0.95 118.95 126.83 3kul s ARG 655 Ca -0.11 1.98 -0.01 0.00 -1.72 0.00 0.00 55.73 55.86 3kul s ARG 655 Cb -0.16 -3.25 0.04 0.00 -0.45 0.00 0.00 34.95 31.13 3kul s ARG 655 CO 0.04 -0.28 -0.02 0.08 -0.68 0.00 0.00 175.30 174.43 3kul s VAL 656 N 0.56 0.78 -0.42 3.52 1.01 -1.26 -4.95 120.40 119.64 3kul s VAL 656 Ca 0.59 -0.40 -0.43 0.00 0.00 0.00 0.00 61.98 61.74 3kul s VAL 656 Cb -0.35 -1.02 -0.17 0.00 0.00 0.00 0.00 36.38 34.84 3kul s VAL 656 CO 0.34 0.10 1.86 -0.81 0.00 0.00 0.00 175.10 176.58 3kul n PRO 657 N 4.99 0.47 -1.18 2.72 -0.04 -1.26 -1.44 135.00 139.26 3kul n PRO 657 Ca -0.10 0.16 -0.06 0.00 -0.04 0.00 0.00 63.50 63.46 3kul n PRO 657 Cb 0.48 -1.80 -0.03 0.00 -0.04 0.00 0.00 33.50 32.12 3kul n PRO 657 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3kul n GLY 658 N 5.28 0.86 3.13 0.55 0.00 -1.26 -5.00 105.19 108.76 3kul n GLY 658 Ca 0.37 -0.73 -0.09 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.48 0.81 0.61 1.61 1.11 -0.52 -5.15 119.66 115.66 3kul s GLN 659 Ca 0.00 -1.35 -0.18 0.00 0.01 0.00 0.00 55.36 53.83 3kul s GLN 659 Cb 0.00 0.16 -0.03 0.00 -1.01 0.00 0.00 33.01 32.13 3kul s GLN 659 CO 0.00 -0.17 1.22 -0.98 0.01 0.00 0.00 175.29 175.37 3kul s ARG 660 N -3.97 2.86 0.31 2.91 1.70 -1.26 -4.52 118.95 116.97 3kul s ARG 660 Ca 0.16 1.86 -0.28 0.00 -0.47 0.00 0.00 55.73 57.00 3kul s ARG 660 Cb 0.07 -1.91 -0.13 0.00 -0.57 0.00 0.00 34.95 32.41 3kul s ARG 660 CO -0.03 -1.31 1.15 -0.25 -1.08 0.00 0.00 175.30 173.78 3kul n ASP 661 N -1.71 1.99 -4.52 -2.89 9.92 -1.26 -4.62 116.55 113.46 3kul n ASP 661 Ca 0.14 1.19 -0.37 0.00 -0.53 0.00 0.00 54.79 55.22 3kul n ASP 661 Cb 0.49 -1.38 -0.12 0.00 -0.64 0.00 0.00 41.12 39.48 3kul n ASP 661 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 3kul s VAL 662 N -1.03 4.71 0.32 2.53 1.01 -0.13 -4.90 120.40 122.92 3kul s VAL 662 Ca 0.58 -0.04 -0.29 0.00 0.00 0.00 0.00 61.98 62.23 3kul s VAL 662 Cb -0.64 -3.21 -0.11 0.00 0.00 0.00 0.00 36.38 32.42 3kul s VAL 662 CO 0.61 0.33 1.51 -2.84 0.00 0.00 0.00 175.10 174.70 3kul s PRO 663 N 1.50 4.15 0.03 2.72 0.02 -1.26 -0.25 135.00 141.92 3kul s PRO 663 Ca 0.06 2.51 -0.01 0.00 0.02 0.00 0.00 61.00 63.58 3kul s PRO 663 Cb -0.15 -3.02 -0.03 0.00 0.02 0.00 0.00 34.50 31.33 3kul s PRO 663 CO 0.06 -0.53 -0.01 0.14 -0.33 0.00 0.00 177.00 176.33 3kul s VAL 664 N -0.56 0.16 0.06 3.83 -7.23 -0.31 -3.03 120.40 113.33 3kul s VAL 664 Ca 0.57 -1.29 0.03 0.00 -1.81 0.00 0.00 61.98 59.49 3kul s VAL 664 Cb -0.46 -0.84 -0.04 0.00 0.56 0.00 0.00 36.38 35.60 3kul s VAL 664 CO 0.54 -0.71 0.04 0.00 -0.31 0.00 0.00 175.10 174.66 3kul s ALA 665 N -2.58 3.41 -0.01 1.32 0.00 -0.39 -2.03 121.76 121.48 3kul s ALA 665 Ca -0.05 -1.03 0.03 0.00 0.00 0.00 0.00 51.96 50.90 3kul s ALA 665 Cb -0.02 -1.34 -0.00 0.00 0.00 0.00 0.00 23.12 21.76 3kul s ALA 665 CO -0.05 0.71 -0.09 0.42 0.00 0.00 0.00 175.76 176.75 3kul s ILE 666 N -1.29 0.75 -0.05 0.00 1.01 0.11 -0.67 121.20 121.07 3kul s ILE 666 Ca 0.26 -0.39 0.06 0.00 0.00 0.00 0.00 60.65 60.58 3kul s ILE 666 Cb -0.12 -0.64 -0.02 0.00 0.01 0.00 0.00 42.46 41.69 3kul s ILE 666 CO 0.18 0.22 -0.24 -0.75 0.00 0.00 0.00 174.94 174.34 3kul s LYS 667 N -0.11 2.41 0.04 2.79 2.20 -0.40 -0.72 119.74 125.95 3kul s LYS 667 Ca 0.02 -0.90 -0.03 0.00 -0.36 0.00 0.00 55.97 54.70 3kul s LYS 667 Cb -0.05 -2.14 -0.02 0.00 -1.51 0.00 0.00 37.83 34.10 3kul s LYS 667 CO -0.00 0.46 0.03 0.00 -0.36 0.00 0.00 175.35 175.47 3kul s ALA 668 N -0.35 0.21 -0.01 3.13 0.00 -0.10 -0.23 121.76 124.41 3kul s ALA 668 Ca 0.02 -0.86 -0.21 0.00 0.00 0.00 0.00 51.96 50.92 3kul s ALA 668 Cb -0.12 0.26 -0.05 0.00 0.00 0.00 0.00 23.12 23.21 3kul s ALA 668 CO 0.02 -0.33 0.61 -0.51 0.00 0.00 0.00 175.76 175.54 3kul s LEU 669 N -2.43 4.40 0.75 0.00 1.43 -0.77 -1.41 118.68 120.66 3kul s LEU 669 Ca -0.01 1.16 -0.11 0.00 -1.03 0.00 0.00 54.13 54.14 3kul s LEU 669 Cb 0.02 -2.94 0.04 0.00 0.03 0.00 0.00 46.19 43.34 3kul s LEU 669 CO -0.07 0.08 1.08 -0.54 0.23 0.00 0.00 176.35 177.13 3kul s LYS 670 N -0.07 2.45 0.36 1.70 1.02 -0.87 -4.70 119.74 119.63 3kul s LYS 670 Ca 0.32 0.82 -0.28 0.00 0.02 0.00 0.00 55.97 56.84 3kul s LYS 670 Cb -0.18 -1.95 -0.11 0.00 -0.52 0.00 0.00 37.83 35.07 3kul s LYS 670 CO 0.17 -1.41 1.45 0.00 -0.92 0.00 0.00 175.35 174.64 3kul n ALA 671 N -3.32 2.09 0.00 5.17 0.00 -1.26 -3.40 120.51 119.79 3kul n ALA 671 Ca 0.07 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.86 3kul n ALA 671 Cb 0.55 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.62 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 0.73 0.78 3.74 0.00 0.00 -1.26 -5.08 105.19 104.09 3kul n GLY 672 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.00 2.27 0.47 1.61 -0.85 -1.22 -5.03 117.35 112.60 3kul s TYR 673 Ca 0.00 1.60 -0.10 0.00 -0.52 0.00 0.00 57.07 58.05 3kul s TYR 673 Cb 0.00 -3.31 -0.06 0.00 0.38 0.00 0.00 41.96 38.97 3kul s TYR 673 CO 0.00 -2.21 0.83 0.95 -1.52 0.00 0.00 175.55 173.60 3kul s THR 674 N -2.25 4.78 0.51 -3.49 -4.23 -1.26 -4.94 115.64 104.76 3kul s THR 674 Ca 0.70 0.61 0.29 0.00 -1.18 0.00 0.00 61.69 62.11 3kul s THR 674 Cb -0.24 -3.78 0.46 0.00 1.34 0.00 0.00 72.50 70.28 3kul s THR 674 CO 0.46 -0.71 1.87 -0.33 -0.54 0.00 0.00 174.62 175.37 3kul h GLU 675 N 0.73 0.09 -0.07 3.99 4.39 -1.99 -1.35 114.58 120.37 3kul h GLU 675 Ca -0.47 -0.01 -0.05 0.00 0.34 0.00 0.00 59.36 59.18 3kul h GLU 675 Cb 1.19 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.82 3kul h GLU 675 CO 0.63 0.06 -0.15 -0.09 -1.16 0.00 0.00 179.01 178.29 3kul h ARG 676 N 0.09 0.22 -0.70 2.33 9.65 -1.99 -0.53 114.38 123.45 3kul h ARG 676 Ca 0.45 -0.15 0.03 0.00 -1.10 0.00 0.00 59.98 59.21 3kul h ARG 676 Cb 1.63 0.02 -0.04 0.00 -1.39 0.00 0.00 29.97 30.19 3kul h ARG 676 CO -0.05 0.74 0.44 1.96 2.80 0.00 0.00 179.97 185.87 3kul h GLN 677 N -0.26 0.85 -0.29 0.20 4.20 -1.74 -0.66 115.11 117.41 3kul h GLN 677 Ca 0.00 -0.05 0.05 0.00 0.06 0.00 0.00 58.65 58.71 3kul h GLN 677 Cb 0.74 -0.19 -0.05 0.00 0.30 0.00 0.00 27.48 28.28 3kul h GLN 677 CO 0.03 0.56 -0.01 -0.09 -0.67 0.00 0.00 178.83 178.65 3kul h ARG 678 N 0.87 0.07 -0.43 1.46 2.43 -1.21 0.21 114.38 117.79 3kul h ARG 678 Ca 0.28 -0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.45 3kul h ARG 678 Cb 0.00 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.51 3kul h ARG 678 CO -0.10 0.05 0.28 -0.09 -1.51 0.00 0.00 179.97 178.60 3kul h ARG 679 N 0.07 0.56 -0.15 0.20 2.43 -0.49 0.13 114.38 117.12 3kul h ARG 679 Ca 0.14 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.26 3kul h ARG 679 Cb 0.19 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 3kul h ARG 679 CO -0.24 0.37 0.05 -0.44 -1.51 0.00 0.00 179.97 178.19 3kul h ASP 680 N 0.57 0.22 -0.23 -3.80 3.32 -0.91 -1.17 116.42 114.43 3kul h ASP 680 Ca 0.16 -0.21 0.05 0.00 0.02 0.00 0.00 57.03 57.05 3kul h ASP 680 Cb -0.06 -0.06 -0.05 0.00 0.22 0.00 0.00 39.33 39.38 3kul h ASP 680 CO -0.04 0.37 -0.10 0.15 -1.72 0.00 0.00 179.24 177.91 3kul h PHE 681 N 0.06 -0.22 -0.02 4.55 3.57 -0.43 -0.67 116.94 123.78 3kul h PHE 681 Ca 0.05 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.49 3kul h PHE 681 Cb 0.23 0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.09 3kul h PHE 681 CO 0.00 -0.15 -0.38 -0.07 -2.23 0.00 0.00 178.31 175.48 3kul h LEU 682 N -0.06 0.04 -0.35 0.59 3.38 -0.68 -1.23 115.31 117.00 3kul h LEU 682 Ca 0.12 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.98 3kul h LEU 682 Cb 0.24 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3kul h LEU 682 CO -0.27 0.42 -0.14 0.77 0.09 0.00 0.00 178.44 179.32 3kul h SER 683 N 0.04 0.73 -0.52 -0.43 4.64 -0.85 -1.14 113.55 116.02 3kul h SER 683 Ca 0.00 -0.39 0.10 0.00 -0.47 0.00 0.00 61.79 61.03 3kul h SER 683 Cb 0.69 -0.20 -0.09 0.00 -0.31 0.00 0.00 62.40 62.49 3kul h SER 683 CO 0.05 0.96 -0.01 -0.08 -0.87 0.00 0.00 176.83 176.87 3kul h GLU 684 N 0.50 0.10 -1.00 4.77 4.81 -0.80 0.54 114.58 123.50 3kul h GLU 684 Ca 0.08 -0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.36 3kul h GLU 684 Cb 0.66 -0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.96 3kul h GLU 684 CO 0.04 0.06 0.65 0.00 -0.73 0.00 0.00 179.01 179.04 3kul h ALA 685 N 1.47 1.37 -0.17 2.92 0.00 -1.14 -2.20 119.26 121.52 3kul h ALA 685 Ca 0.26 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.07 3kul h ALA 685 Cb 0.40 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 3kul h ALA 685 CO -0.45 0.51 -0.15 1.03 0.00 0.00 0.00 179.25 180.19 3kul h SER 686 N 1.23 0.43 -0.27 0.00 0.87 0.32 -1.92 113.55 114.21 3kul h SER 686 Ca 0.41 -0.47 -0.01 0.00 -1.23 0.00 0.00 61.79 60.49 3kul h SER 686 Cb 0.07 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 61.90 3kul h SER 686 CO -0.14 0.81 0.12 0.16 -0.53 0.00 0.00 176.83 177.25 3kul h ILE 687 N 0.05 1.16 -0.99 2.23 3.07 -0.91 -2.82 117.51 119.30 3kul h ILE 687 Ca 0.03 -0.46 0.19 0.00 1.55 0.00 0.00 64.86 66.17 3kul h ILE 687 Cb 0.68 0.96 -0.10 0.00 -0.27 0.00 0.00 36.82 38.09 3kul h ILE 687 CO 0.04 0.16 0.61 0.24 -1.05 0.00 0.00 178.15 178.15 3kul h MET 688 N 0.30 0.70 0.00 0.16 2.86 -1.36 -0.26 114.93 117.33 3kul h MET 688 Ca 0.09 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 3kul h MET 688 Cb 0.14 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.64 3kul h MET 688 CO -0.01 0.47 0.00 0.78 1.06 0.00 0.00 176.91 179.21 3kul h GLY 689 N 0.73 0.00 0.55 8.32 0.00 -1.08 -2.35 103.07 109.23 3kul h GLY 689 Ca 0.55 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.88 3kul h GLY 689 CO -0.33 0.00 -0.52 -1.06 0.00 0.00 0.00 176.54 174.62 3kul n GLN 690 N -2.78 0.27 -2.87 4.80 6.02 -0.11 -4.92 117.38 117.78 3kul n GLN 690 Ca 0.00 -0.17 -0.40 0.00 -0.01 0.00 0.00 57.00 56.42 3kul n GLN 690 Cb 0.22 -1.50 -0.05 0.00 1.02 0.00 0.00 30.24 29.93 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 -2.85 3.84 -0.38 1.08 0.08 -0.89 -5.03 117.98 113.83 3kul s PHE 691 Ca 0.14 1.67 0.02 0.00 0.12 0.00 0.00 56.93 58.89 3kul s PHE 691 Cb 0.18 -2.90 0.15 0.00 -0.57 0.00 0.00 43.02 39.88 3kul s PHE 691 CO 0.68 0.34 0.33 0.34 -0.10 0.00 0.00 175.22 176.80 3kul s ASP 692 N -0.46 1.75 -0.10 1.36 2.15 -1.26 -4.88 116.67 115.23 3kul s ASP 692 Ca 0.41 -2.05 -0.17 0.00 0.43 0.00 0.00 52.55 51.16 3kul s ASP 692 Cb -0.23 0.11 0.04 0.00 -0.30 0.00 0.00 42.92 42.55 3kul s ASP 692 CO 0.27 -0.25 0.43 -2.28 -0.17 0.00 0.00 175.17 173.17 3kul s HIS 693 N 1.05 -0.42 0.59 -5.34 2.46 -1.26 -5.05 115.29 107.32 3kul s HIS 693 Ca 0.20 0.90 0.29 0.00 0.47 0.00 0.00 55.06 56.92 3kul s HIS 693 Cb -0.15 0.18 1.70 0.00 -0.13 0.00 0.00 32.58 34.18 3kul s HIS 693 CO -0.04 -0.33 2.13 -1.35 -2.47 0.00 0.00 174.74 172.68 3kul h PRO 694 N 4.63 0.00 -0.46 2.88 0.11 -1.99 -2.57 132.00 134.61 3kul h PRO 694 Ca -0.28 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.70 3kul h PRO 694 Cb 1.17 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.21 3kul h PRO 694 CO 0.30 0.00 0.08 0.09 -0.21 0.00 0.00 178.00 178.26 3kul n ASN 695 N -3.79 3.85 -4.10 -2.05 4.13 -1.26 -4.84 115.26 107.19 3kul n ASN 695 Ca 0.01 -3.29 -0.29 0.00 1.68 0.00 0.00 54.58 52.69 3kul n ASN 695 Cb 0.28 -0.64 -0.17 0.00 -1.54 0.00 0.00 39.78 37.71 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 -3.00 1.58 0.25 2.41 -1.09 -0.97 -0.23 121.20 120.15 3kul s ILE 696 Ca 0.47 -0.72 -0.30 0.00 -2.23 0.00 0.00 60.65 57.87 3kul s ILE 696 Cb 0.39 -1.42 -0.14 0.00 -1.58 0.00 0.00 42.46 39.72 3kul s ILE 696 CO 0.08 0.46 1.26 0.00 -1.23 0.00 0.00 174.94 175.50 3kul n ILE 697 N 3.92 1.31 -2.99 2.92 0.13 -0.82 -4.64 119.36 119.18 3kul n ILE 697 Ca -0.20 -0.33 -0.40 0.00 -1.10 0.00 0.00 62.75 60.72 3kul n ILE 697 Cb 0.52 -1.26 -0.04 0.00 -0.84 0.00 0.00 39.64 38.02 3kul n ILE 697 CO 0.00 0.00 0.00 -0.60 2.80 0.00 0.00 176.55 178.75 3kul s ARG 698 N -0.86 4.46 -0.14 9.51 3.52 -1.26 -5.00 118.95 129.18 3kul s ARG 698 Ca 0.65 0.98 -0.29 0.00 -0.13 0.00 0.00 55.73 56.94 3kul s ARG 698 Cb -0.69 -3.44 -0.01 0.00 -1.56 0.00 0.00 34.95 29.25 3kul s ARG 698 CO 0.54 0.08 1.10 -1.17 -0.81 0.00 0.00 175.30 175.03 3kul s LEU 699 N 0.72 4.20 0.02 -0.88 2.96 -1.26 -1.68 118.68 122.76 3kul s LEU 699 Ca 0.40 1.57 -0.04 0.00 -0.22 0.00 0.00 54.13 55.83 3kul s LEU 699 Cb -0.18 -3.55 -0.28 0.00 0.50 0.00 0.00 46.19 42.67 3kul s LEU 699 CO 0.20 -0.59 0.91 -0.33 -1.32 0.00 0.00 176.35 175.22 3kul h GLU 700 N 7.44 0.28 0.00 1.98 4.39 -0.36 -3.47 114.58 124.83 3kul h GLU 700 Ca -0.27 -0.47 0.00 0.00 0.34 0.00 0.00 59.36 58.95 3kul h GLU 700 Cb 1.12 0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.94 3kul h GLU 700 CO 0.91 1.16 0.00 0.41 -1.16 0.00 0.00 179.01 180.34 3kul n GLY 701 N 1.65 -0.94 3.07 -3.84 0.00 -0.72 -4.95 105.19 99.46 3kul n GLY 701 Ca -0.15 -1.06 -0.08 0.00 0.00 0.00 0.00 46.02 44.73 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 -3.00 0.17 -0.20 1.61 -7.23 -0.15 -0.63 120.40 110.98 3kul s VAL 702 Ca 0.00 -1.39 0.01 0.00 -1.81 0.00 0.00 61.98 58.78 3kul s VAL 702 Cb 0.00 -1.04 0.04 0.00 0.56 0.00 0.00 36.38 35.94 3kul s VAL 702 CO 0.00 -0.77 -0.09 -0.69 -0.31 0.00 0.00 175.10 173.24 3kul s VAL 703 N -2.98 1.58 0.00 1.32 1.01 -0.36 0.57 120.40 121.54 3kul s VAL 703 Ca -0.02 -1.00 0.00 0.00 0.00 0.00 0.00 61.98 60.96 3kul s VAL 703 Cb 0.01 -1.69 0.00 0.00 0.00 0.00 0.00 36.38 34.70 3kul s VAL 703 CO -0.06 0.13 0.00 0.35 0.00 0.00 0.00 175.10 175.52 3kul n THR 704 N 4.70 0.00 -2.58 3.92 -2.24 -1.26 -0.97 114.28 115.85 3kul n THR 704 Ca -0.14 -0.18 -0.36 0.00 -2.27 0.00 0.00 64.05 61.10 3kul n THR 704 Cb 0.46 0.90 -0.04 0.00 -2.10 0.00 0.00 70.33 69.55 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 -0.46 4.17 -1.35 -0.78 0.52 -1.26 -3.85 118.95 115.94 3kul s ARG 705 Ca 0.00 1.46 -0.03 0.00 -0.52 0.00 0.00 55.73 56.64 3kul s ARG 705 Cb 0.00 -2.50 0.00 0.00 0.52 0.00 0.00 34.95 32.97 3kul s ARG 705 CO 0.00 -0.12 0.41 0.41 0.02 0.00 0.00 175.30 176.02 3kul n GLY 706 N 0.24 -0.34 3.16 -3.53 0.00 -1.26 -2.50 105.19 100.97 3kul n GLY 706 Ca 0.05 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -3.35 -0.05 -1.23 1.61 5.12 -1.25 -5.02 116.66 112.49 3kul n ARG 707 Ca -0.12 0.01 -0.31 0.00 -1.93 0.00 0.00 57.85 55.50 3kul n ARG 707 Cb 0.61 -3.07 0.10 0.00 -1.16 0.00 0.00 32.46 28.94 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 0.00 3.03 -0.36 0.55 1.43 -1.04 -5.05 118.68 117.24 3kul s LEU 708 Ca 0.00 1.86 0.05 0.00 -1.03 0.00 0.00 54.13 55.01 3kul s LEU 708 Cb 0.00 -4.53 0.17 0.00 0.03 0.00 0.00 46.19 41.87 3kul s LEU 708 CO 0.00 -2.11 0.52 0.00 0.23 0.00 0.00 176.35 174.99 3kul s ALA 709 N -2.86 -1.64 0.03 4.21 0.00 -1.15 -4.08 121.76 116.27 3kul s ALA 709 Ca 0.62 -0.02 0.04 0.00 0.00 0.00 0.00 51.96 52.60 3kul s ALA 709 Cb -0.18 -2.41 -0.02 0.00 0.00 0.00 0.00 23.12 20.51 3kul s ALA 709 CO 0.56 -2.07 -0.12 -1.64 0.00 0.00 0.00 175.76 172.48 3kul s MET 710 N 1.96 0.82 -0.21 0.00 -1.94 -0.14 -1.85 119.30 117.95 3kul s MET 710 Ca 0.14 -0.67 -0.03 0.00 -1.71 0.00 0.00 55.69 53.42 3kul s MET 710 Cb -0.09 -0.79 -0.00 0.00 2.01 0.00 0.00 34.83 35.95 3kul s MET 710 CO -0.12 0.20 -0.07 0.42 -0.01 0.00 0.00 175.02 175.43 3kul s ILE 711 N -0.81 3.12 -0.23 2.53 1.01 0.68 -1.22 121.20 126.28 3kul s ILE 711 Ca 0.00 -0.58 -0.06 0.00 0.00 0.00 0.00 60.65 60.01 3kul s ILE 711 Cb -0.07 -2.40 -0.02 0.00 0.01 0.00 0.00 42.46 39.98 3kul s ILE 711 CO 0.01 0.45 0.02 -0.69 0.00 0.00 0.00 174.94 174.73 3kul s VAL 712 N 1.41 3.97 0.29 2.92 1.01 0.20 -1.28 120.40 128.92 3kul s VAL 712 Ca 0.05 -0.29 0.08 0.00 0.00 0.00 0.00 61.98 61.83 3kul s VAL 712 Cb -0.14 -2.83 -0.06 0.00 0.00 0.00 0.00 36.38 33.35 3kul s VAL 712 CO -0.05 0.38 -0.10 0.42 0.00 0.00 0.00 175.10 175.75 3kul s THR 713 N 1.47 1.96 0.55 3.92 -4.23 0.16 0.39 115.64 119.86 3kul s THR 713 Ca 0.05 -2.20 -0.20 0.00 -1.18 0.00 0.00 61.69 58.16 3kul s THR 713 Cb -0.15 -2.43 -0.06 0.00 1.34 0.00 0.00 72.50 71.20 3kul s THR 713 CO 0.01 -0.33 0.99 -1.84 -0.54 0.00 0.00 174.62 172.92 3kul n GLU 714 N -0.62 1.08 -2.89 3.99 0.28 -0.68 -1.26 120.64 120.54 3kul n GLU 714 Ca -0.06 0.40 -0.40 0.00 -0.16 0.00 0.00 57.16 56.95 3kul n GLU 714 Cb 0.62 -2.15 -0.05 0.00 1.43 0.00 0.00 31.44 31.29 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 -1.45 3.77 -0.42 -1.84 5.04 -1.17 -4.15 117.35 117.14 3kul s TYR 715 Ca 0.72 1.60 -0.08 0.00 -2.44 0.00 0.00 57.07 56.87 3kul s TYR 715 Cb -0.45 -2.90 0.09 0.00 0.35 0.00 0.00 41.96 39.05 3kul s TYR 715 CO 0.50 0.26 0.25 -1.64 -1.34 0.00 0.00 175.55 173.58 3kul s MET 716 N -0.07 2.45 0.35 4.97 -1.94 -1.26 -4.96 119.30 118.84 3kul s MET 716 Ca 0.41 -1.58 0.16 0.00 -1.71 0.00 0.00 55.69 52.98 3kul s MET 716 Cb -0.22 -3.74 1.15 0.00 2.01 0.00 0.00 34.83 34.04 3kul s MET 716 CO 0.26 -1.00 1.64 0.93 -0.01 0.00 0.00 175.02 176.83 3kul h GLU 717 N 8.32 0.24 -0.48 2.03 4.39 -1.87 -0.36 114.58 126.85 3kul h GLU 717 Ca -0.21 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.48 3kul h GLU 717 Cb 1.07 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.67 3kul h GLU 717 CO 0.75 0.16 0.00 0.09 -1.16 0.00 0.00 179.01 178.85 3kul n ASN 718 N -5.10 3.88 0.00 1.42 3.02 -0.55 -5.01 115.26 112.92 3kul n ASN 718 Ca 0.33 -2.34 0.00 0.00 -0.03 0.00 0.00 54.58 52.54 3kul n ASN 718 Cb 1.06 -0.44 0.00 0.00 -0.61 0.00 0.00 39.78 39.78 3kul n ASN 718 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kul n GLY 719 N 0.68 1.28 3.75 7.41 0.00 -0.15 -4.55 105.19 113.61 3kul n GLY 719 Ca 0.20 -0.54 -0.41 0.00 0.00 0.00 0.00 46.02 45.27 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 6.77 0.31 1.61 0.01 -1.26 -0.51 113.70 116.62 3kul s SER 720 Ca 0.00 2.57 -0.01 0.00 1.31 0.00 0.00 55.95 59.83 3kul s SER 720 Cb 0.00 -2.62 0.50 0.00 0.21 0.00 0.00 66.02 64.11 3kul s SER 720 CO 0.00 -0.60 1.96 0.25 0.41 0.00 0.00 173.24 175.26 3kul h LEU 721 N 4.86 0.85 -0.05 2.44 5.85 -0.26 -1.18 115.31 127.82 3kul h LEU 721 Ca -0.46 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.20 3kul h LEU 721 Cb 1.22 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 42.03 3kul h LEU 721 CO 0.75 0.65 -0.04 -2.24 -0.34 0.00 0.00 178.44 177.22 3kul h ASP 722 N 0.99 0.12 0.12 1.25 2.03 -1.82 -2.46 116.42 116.64 3kul h ASP 722 Ca 0.26 -0.45 -0.11 0.00 -0.73 0.00 0.00 57.03 56.01 3kul h ASP 722 Cb -0.06 -0.03 -0.01 0.00 -0.83 0.00 0.00 39.33 38.40 3kul h ASP 722 CO -0.05 0.54 -0.37 0.71 -1.03 0.00 0.00 179.24 179.05 3kul h THR 723 N -0.30 1.29 -0.32 1.15 1.35 -1.89 -1.72 112.91 112.47 3kul h THR 723 Ca 0.01 -1.45 0.06 0.00 -0.55 0.00 0.00 66.41 64.48 3kul h THR 723 Cb 0.50 1.57 -0.05 0.00 -1.73 0.00 0.00 68.15 68.44 3kul h THR 723 CO 0.01 0.44 -0.02 0.15 -0.25 0.00 0.00 175.52 175.85 3kul h PHE 724 N 0.29 -0.06 -0.19 4.73 3.57 -1.20 -0.12 116.94 123.97 3kul h PHE 724 Ca 0.03 0.03 -0.18 0.00 3.53 0.00 0.00 57.97 61.38 3kul h PHE 724 Cb 0.78 0.08 -0.00 0.00 2.79 0.00 0.00 35.95 39.60 3kul h PHE 724 CO 0.02 -0.08 -0.60 -0.07 -2.23 0.00 0.00 178.31 175.35 3kul h LEU 725 N 0.07 0.71 -1.07 0.59 3.38 -1.30 -2.23 115.31 115.47 3kul h LEU 725 Ca 0.16 -0.40 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 3kul h LEU 725 Cb 0.22 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 3kul h LEU 725 CO -0.28 1.15 0.45 -0.09 0.09 0.00 0.00 178.44 179.76 3kul h ARG 726 N 0.47 1.10 -0.01 1.13 2.43 -1.13 -1.62 114.38 116.76 3kul h ARG 726 Ca -0.00 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 3kul h ARG 726 Cb 1.17 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 30.49 3kul h ARG 726 CO 0.12 0.79 -0.12 0.25 -1.51 0.00 0.00 179.97 179.50 3kul n THR 727 N -4.36 0.00 -2.56 0.20 -2.24 -0.07 -3.97 114.28 101.27 3kul n THR 727 Ca 0.08 -0.09 -0.16 0.00 -2.27 0.00 0.00 64.05 61.61 3kul n THR 727 Cb 0.09 0.04 0.02 0.00 -2.10 0.00 0.00 70.33 68.38 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 -0.78 2.14 -1.88 4.78 8.25 -0.68 -5.07 115.22 121.99 3kul n HIS 728 Ca 0.15 -2.83 -0.42 0.00 -0.26 0.00 0.00 57.72 54.36 3kul n HIS 728 Cb 0.29 -0.25 -0.03 0.00 1.12 0.00 0.00 29.99 31.12 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 -3.37 6.55 0.00 0.41 -1.08 -0.80 -1.79 116.67 116.59 3kul s ASP 729 Ca 0.37 2.61 0.00 0.00 -0.52 0.00 0.00 52.55 55.01 3kul s ASP 729 Cb 0.42 -2.58 0.00 0.00 -1.46 0.00 0.00 42.92 39.31 3kul s ASP 729 CO -0.06 -0.89 0.00 0.61 0.52 0.00 0.00 175.17 175.35 3kul n GLY 730 N 3.95 0.42 0.06 2.66 0.00 -1.26 -4.90 105.19 106.12 3kul n GLY 730 Ca 0.15 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.31 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 -1.76 0.30 -4.35 1.61 6.02 -0.74 -4.89 117.38 113.57 3kul n GLN 731 Ca 0.00 -0.13 -0.24 0.00 -0.01 0.00 0.00 57.00 56.62 3kul n GLN 731 Cb 0.12 -1.50 -0.09 0.00 1.02 0.00 0.00 30.24 29.80 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 -2.79 2.55 0.48 1.08 0.08 -1.26 -5.13 117.98 112.98 3kul s PHE 732 Ca 0.18 -0.26 -0.09 0.00 0.12 0.00 0.00 56.93 56.88 3kul s PHE 732 Cb 0.19 -1.16 -0.05 0.00 -0.57 0.00 0.00 43.02 41.43 3kul s PHE 732 CO 0.57 0.61 0.84 0.95 -0.10 0.00 0.00 175.22 178.10 3kul s THR 733 N -2.18 4.79 0.28 0.64 -4.23 -1.26 -4.93 115.64 108.75 3kul s THR 733 Ca 0.29 0.57 0.01 0.00 -1.18 0.00 0.00 61.69 61.38 3kul s THR 733 Cb -0.07 -3.80 0.28 0.00 1.34 0.00 0.00 72.50 70.25 3kul s THR 733 CO 0.17 -0.76 1.83 0.40 -0.54 0.00 0.00 174.62 175.72 3kul h ILE 734 N 0.54 0.91 -0.82 2.99 1.08 -1.99 -0.42 117.51 119.80 3kul h ILE 734 Ca -0.47 -0.33 0.06 0.00 -0.39 0.00 0.00 64.86 63.73 3kul h ILE 734 Cb 1.19 -0.15 -0.06 0.00 -3.07 0.00 0.00 36.82 34.74 3kul h ILE 734 CO 0.63 0.18 0.51 -0.03 -0.69 0.00 0.00 178.15 178.74 3kul h MET 735 N 0.97 0.91 -0.50 2.37 4.05 -1.99 0.15 114.93 120.90 3kul h MET 735 Ca 0.49 -0.05 -0.10 0.00 -0.28 0.00 0.00 59.70 59.76 3kul h MET 735 Cb 0.50 -0.20 -0.02 0.00 -0.80 0.00 0.00 31.60 31.07 3kul h MET 735 CO -0.27 0.60 -0.08 1.96 0.23 0.00 0.00 176.91 179.35 3kul h GLN 736 N 0.94 0.90 -0.39 0.39 4.20 -1.49 -0.37 115.11 119.29 3kul h GLN 736 Ca 0.35 -0.30 -0.12 0.00 0.06 0.00 0.00 58.65 58.64 3kul h GLN 736 Cb 0.14 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 3kul h GLN 736 CO -0.16 0.95 -0.22 -0.07 -0.67 0.00 0.00 178.83 178.65 3kul h LEU 737 N 0.81 0.79 -0.75 1.46 3.38 -0.62 -1.43 115.31 118.96 3kul h LEU 737 Ca 0.14 -0.29 -0.10 0.00 0.09 0.00 0.00 57.88 57.72 3kul h LEU 737 Cb 0.60 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 3kul h LEU 737 CO 0.04 0.99 -0.13 0.58 0.09 0.00 0.00 178.44 180.01 3kul h VAL 738 N 0.68 1.26 -0.91 1.22 2.07 -0.41 -1.93 116.25 118.23 3kul h VAL 738 Ca 0.09 -1.21 -0.00 0.00 0.82 0.00 0.00 66.70 66.40 3kul h VAL 738 Cb 0.74 1.06 -0.04 0.00 -1.52 0.00 0.00 31.29 31.52 3kul h VAL 738 CO 0.06 0.41 0.55 1.23 0.02 0.00 0.00 177.57 179.85 3kul h GLY 739 N 0.97 1.31 0.95 2.17 0.00 -0.76 0.18 103.07 107.89 3kul h GLY 739 Ca 0.12 -0.54 -0.00 0.00 0.00 0.00 0.00 47.33 46.91 3kul h GLY 739 CO 0.04 0.52 0.12 -0.33 0.00 0.00 0.00 176.54 176.90 3kul h MET 740 N 1.25 0.31 -0.81 4.80 2.07 -1.02 -2.11 114.93 119.42 3kul h MET 740 Ca 0.33 -0.04 -0.03 0.00 -2.07 0.00 0.00 59.70 57.89 3kul h MET 740 Cb -0.06 -0.06 -0.04 0.00 -1.87 0.00 0.00 31.60 29.57 3kul h MET 740 CO -0.06 0.29 0.38 -0.07 1.07 0.00 0.00 176.91 178.51 3kul h LEU 741 N 0.25 1.07 -1.09 1.22 3.38 -0.94 -2.03 115.31 117.17 3kul h LEU 741 Ca 0.08 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 3kul h LEU 741 Cb 0.07 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.50 3kul h LEU 741 CO -0.01 0.91 0.49 -0.09 0.09 0.00 0.00 178.44 179.83 3kul h ARG 742 N 1.15 1.12 -0.02 1.13 1.12 -0.54 0.36 114.38 118.69 3kul h ARG 742 Ca 0.28 -0.10 -0.00 0.00 -1.11 0.00 0.00 59.98 59.04 3kul h ARG 742 Cb 0.14 -0.23 -0.00 0.00 -0.01 0.00 0.00 29.97 29.86 3kul h ARG 742 CO -0.03 0.79 0.01 0.78 -3.11 0.00 0.00 179.97 178.40 3kul h GLY 743 N 1.15 0.03 0.55 2.80 0.00 -0.93 0.13 103.07 106.81 3kul h GLY 743 Ca 0.29 -0.02 0.07 0.00 0.00 0.00 0.00 47.33 47.68 3kul h GLY 743 CO -0.05 0.02 0.24 -2.08 0.00 0.00 0.00 176.54 174.66 3kul h VAL 744 N -0.11 0.86 -0.56 4.60 2.07 -1.17 -1.54 116.25 120.39 3kul h VAL 744 Ca 0.01 -0.15 0.04 0.00 0.82 0.00 0.00 66.70 67.41 3kul h VAL 744 Cb 0.15 0.37 -0.04 0.00 -1.52 0.00 0.00 31.29 30.25 3kul h VAL 744 CO -0.00 0.08 0.32 1.23 0.02 0.00 0.00 177.57 179.22 3kul h GLY 745 N 0.45 0.80 1.01 2.17 0.00 -0.61 -1.19 103.07 105.70 3kul h GLY 745 Ca 0.27 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.37 3kul h GLY 745 CO -0.24 0.18 0.54 0.00 0.00 0.00 0.00 176.54 177.02 3kul h ALA 746 N 1.27 1.07 -0.66 3.60 0.00 -0.27 0.45 119.26 124.71 3kul h ALA 746 Ca 0.24 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 3kul h ALA 746 Cb 0.08 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 3kul h ALA 746 CO -0.13 0.50 0.37 0.78 0.00 0.00 0.00 179.25 180.77 3kul h GLY 747 N 1.15 0.99 1.17 0.00 0.00 -0.93 -1.21 103.07 104.24 3kul h GLY 747 Ca 0.31 -0.45 -0.14 0.00 0.00 0.00 0.00 47.33 47.05 3kul h GLY 747 CO -0.06 0.43 -0.29 -0.33 0.00 0.00 0.00 176.54 176.28 3kul h MET 748 N 0.91 0.93 -0.59 4.80 2.86 -0.98 -1.32 114.93 121.54 3kul h MET 748 Ca 0.23 -0.43 0.01 0.00 -2.06 0.00 0.00 59.70 57.45 3kul h MET 748 Cb 0.03 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.65 3kul h MET 748 CO -0.04 1.09 0.39 -0.09 1.06 0.00 0.00 176.91 179.32 3kul h ARG 749 N 0.78 0.78 -0.18 1.72 2.43 -0.80 0.17 114.38 119.29 3kul h ARG 749 Ca 0.09 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 3kul h ARG 749 Cb 0.87 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.23 3kul h ARG 749 CO 0.08 0.52 0.12 -0.92 -1.51 0.00 0.00 179.97 178.25 3kul h TYR 750 N 0.80 0.23 0.11 2.20 3.20 -1.07 -0.61 116.97 121.83 3kul h TYR 750 Ca 0.22 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.09 3kul h TYR 750 Cb -0.09 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.10 3kul h TYR 750 CO -0.03 0.15 -0.05 1.25 -1.64 0.00 0.00 178.16 177.84 3kul h LEU 751 N 0.23 -0.12 -0.92 2.82 5.85 -1.04 -2.83 115.31 119.30 3kul h LEU 751 Ca 0.07 -0.09 -0.07 0.00 0.84 0.00 0.00 57.88 58.62 3kul h LEU 751 Cb -0.02 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 3kul h LEU 751 CO -0.01 0.02 -0.02 0.77 -0.34 0.00 0.00 178.44 178.85 3kul h SER 752 N -0.26 0.74 -0.27 1.25 4.64 -0.61 -2.47 113.55 116.58 3kul h SER 752 Ca -0.01 -0.18 0.01 0.00 -0.47 0.00 0.00 61.79 61.13 3kul h SER 752 Cb 0.21 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.09 3kul h SER 752 CO 0.02 0.82 0.18 0.44 -0.87 0.00 0.00 176.83 177.42 3kul h ASP 753 N 0.71 0.27 1.16 4.97 5.19 -1.05 0.16 116.42 127.83 3kul h ASP 753 Ca 0.14 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.54 3kul h ASP 753 Cb 0.47 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 39.91 3kul h ASP 753 CO 0.02 0.19 0.00 0.18 -3.12 0.00 0.00 179.24 176.51 3kul n LEU 754 N -4.50 0.49 0.00 1.55 4.77 -1.00 -4.92 117.00 113.39 3kul n LEU 754 Ca 0.01 0.56 0.00 0.00 -0.03 0.00 0.00 56.01 56.55 3kul n LEU 754 Cb 0.11 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 40.78 3kul n LEU 754 CO 0.35 -0.19 0.00 0.61 -1.33 0.00 0.00 177.39 176.83 3kul n GLY 755 N 1.08 0.97 3.86 -0.72 0.00 0.05 -4.99 105.19 105.43 3kul n GLY 755 Ca 0.05 -0.05 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 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 3.53 -0.10 1.61 2.02 -0.96 -0.96 117.35 120.48 3kul s TYR 756 Ca 0.00 0.44 -0.01 0.00 -0.37 0.00 0.00 57.07 57.12 3kul s TYR 756 Cb 0.00 -1.89 -0.03 0.00 -0.40 0.00 0.00 41.96 39.65 3kul s TYR 756 CO 0.00 0.68 -0.05 0.54 -1.57 0.00 0.00 175.55 175.15 3kul s VAL 757 N -1.10 3.87 -0.15 0.71 0.11 -0.07 -3.89 120.40 119.88 3kul s VAL 757 Ca 0.18 -0.40 -0.19 0.00 -2.93 0.00 0.00 61.98 58.65 3kul s VAL 757 Cb -0.12 -2.63 -0.16 0.00 -1.53 0.00 0.00 36.38 31.94 3kul s VAL 757 CO 0.08 0.56 0.34 -0.74 -3.33 0.00 0.00 175.10 172.01 3kul h HIS 758 N 5.73 0.00 0.00 1.54 2.76 -1.88 -1.58 115.15 121.72 3kul h HIS 758 Ca -0.43 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.74 3kul h HIS 758 Cb 1.18 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.14 3kul h HIS 758 CO 0.57 0.82 0.00 0.54 -1.30 0.00 0.00 177.93 178.56 3kul n ARG 759 N -4.59 0.00 -2.22 5.26 1.74 -1.26 -3.52 116.66 112.07 3kul n ARG 759 Ca -0.14 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.94 3kul n ARG 759 Cb 0.42 -1.41 0.04 0.00 -1.02 0.00 0.00 32.46 30.50 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 1.56 -4.69 0.55 2.03 -1.26 -4.96 116.55 109.78 3kul n ASP 760 Ca 0.00 -2.18 -0.42 0.00 0.52 0.00 0.00 54.79 52.71 3kul n ASP 760 Cb 0.00 -0.41 -0.03 0.00 -0.72 0.00 0.00 41.12 39.96 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 -2.39 4.27 -0.06 -2.67 2.96 -1.26 -4.79 118.68 114.74 3kul s LEU 761 Ca 0.31 1.51 -0.29 0.00 -0.22 0.00 0.00 54.13 55.44 3kul s LEU 761 Cb 0.35 -3.51 0.10 0.00 0.50 0.00 0.00 46.19 43.64 3kul s LEU 761 CO -0.08 -0.39 0.88 0.00 -1.32 0.00 0.00 176.35 175.44 3kul s ALA 762 N 1.75 -1.84 0.47 5.97 0.00 -1.26 -4.74 121.76 122.11 3kul s ALA 762 Ca 0.48 1.23 0.17 0.00 0.00 0.00 0.00 51.96 53.83 3kul s ALA 762 Cb -0.19 -0.01 1.15 0.00 0.00 0.00 0.00 23.12 24.07 3kul s ALA 762 CO 0.20 -0.51 2.02 0.00 0.00 0.00 0.00 175.76 177.46 3kul h ALA 763 N 2.34 2.12 -0.02 0.00 0.00 -1.92 -0.35 119.26 121.42 3kul h ALA 763 Ca -0.22 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.68 3kul h ALA 763 Cb 1.20 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 3kul h ALA 763 CO 0.32 -0.23 0.02 0.07 0.00 0.00 0.00 179.25 179.43 3kul h ARG 764 N 0.24 0.00 -0.61 0.00 0.11 -1.93 -1.90 114.38 110.28 3kul h ARG 764 Ca 0.22 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.30 3kul h ARG 764 Cb 0.53 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.61 3kul h ARG 764 CO -0.04 0.00 0.00 0.09 0.10 0.00 0.00 179.97 180.12 3kul n ASN 765 N -4.45 4.78 -4.55 0.08 3.02 -0.16 -4.61 115.26 109.37 3kul n ASN 765 Ca -0.02 -2.51 -0.34 0.00 -0.03 0.00 0.00 54.58 51.67 3kul n ASN 765 Cb 0.11 -0.58 -0.11 0.00 -0.61 0.00 0.00 39.78 38.59 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 -1.96 4.19 0.08 2.41 1.01 -0.74 -2.03 120.40 123.36 3kul s VAL 766 Ca 0.50 -0.25 0.05 0.00 0.00 0.00 0.00 61.98 62.28 3kul s VAL 766 Cb 0.33 -2.85 -0.04 0.00 0.00 0.00 0.00 36.38 33.83 3kul s VAL 766 CO 0.23 0.49 0.00 -0.76 0.00 0.00 0.00 175.10 175.06 3kul s LEU 767 N 0.29 3.47 -0.13 3.92 1.43 0.12 -0.19 118.68 127.60 3kul s LEU 767 Ca -0.01 -0.16 0.02 0.00 -1.03 0.00 0.00 54.13 52.95 3kul s LEU 767 Cb -0.13 -2.19 -0.00 0.00 0.03 0.00 0.00 46.19 43.90 3kul s LEU 767 CO 0.02 0.18 -0.20 -0.69 0.23 0.00 0.00 176.35 175.90 3kul s VAL 768 N -1.29 2.38 0.63 -1.59 1.01 0.33 -0.43 120.40 121.45 3kul s VAL 768 Ca 0.25 -0.89 -0.03 0.00 0.00 0.00 0.00 61.98 61.31 3kul s VAL 768 Cb -0.12 -1.96 0.13 0.00 0.00 0.00 0.00 36.38 34.44 3kul s VAL 768 CO 0.18 0.54 0.87 -0.90 0.00 0.00 0.00 175.10 175.79 3kul n ASP 769 N 3.75 0.84 0.23 3.32 5.68 -0.21 -1.49 116.55 128.67 3kul n ASP 769 Ca -0.19 -1.79 0.09 0.00 -0.50 0.00 0.00 54.79 52.41 3kul n ASP 769 Cb 0.52 -0.59 0.54 0.00 -1.14 0.00 0.00 41.12 40.45 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 -0.70 0.00 -0.41 -1.12 4.64 -1.95 -1.50 113.55 112.51 3kul h SER 770 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 3kul h SER 770 Cb 0.97 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 3kul h SER 770 CO 0.28 0.23 0.00 0.59 -0.87 0.00 0.00 176.83 177.05 3kul n ASN 771 N -3.62 3.17 -0.04 4.97 3.02 -1.26 -4.91 115.26 116.60 3kul n ASN 771 Ca -0.01 -2.28 -0.01 0.00 -0.03 0.00 0.00 54.58 52.25 3kul n ASN 771 Cb 0.36 -0.46 -0.00 0.00 -0.61 0.00 0.00 39.78 39.07 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 0.61 0.14 -4.69 3.41 4.77 -0.57 -4.99 117.00 115.70 3kul n LEU 772 Ca 0.16 0.01 -0.42 0.00 -0.03 0.00 0.00 56.01 55.73 3kul n LEU 772 Cb 0.61 -0.92 -0.03 0.00 -2.33 0.00 0.00 43.42 40.75 3kul n LEU 772 CO 0.15 -0.21 1.09 -0.69 -1.33 0.00 0.00 177.39 176.40 3kul s VAL 773 N -1.84 3.81 -0.11 4.08 1.01 -1.26 -4.77 120.40 121.32 3kul s VAL 773 Ca 0.00 1.19 -0.15 0.00 0.00 0.00 0.00 61.98 63.02 3kul s VAL 773 Cb 0.00 -3.76 -0.05 0.00 0.00 0.00 0.00 36.38 32.57 3kul s VAL 773 CO 0.00 -0.00 0.35 0.00 0.00 0.00 0.00 175.10 175.45 3kul s LYS 775 N 0.10 1.86 0.16 0.00 1.02 0.43 -4.34 119.74 118.97 3kul s LYS 775 Ca 0.20 -0.59 -0.30 0.00 0.02 0.00 0.00 55.97 55.30 3kul s LYS 775 Cb -0.14 -1.57 -0.08 0.00 -0.52 0.00 0.00 37.83 35.52 3kul s LYS 775 CO 0.07 0.20 1.20 0.08 -0.92 0.00 0.00 175.35 175.98 3kul s VAL 776 N 0.18 3.65 0.40 3.17 1.01 0.68 -0.70 120.40 128.79 3kul s VAL 776 Ca -0.07 1.35 0.05 0.00 0.00 0.00 0.00 61.98 63.31 3kul s VAL 776 Cb -0.13 -3.86 -0.02 0.00 0.00 0.00 0.00 36.38 32.37 3kul s VAL 776 CO 0.03 0.20 0.17 -0.94 0.00 0.00 0.00 175.10 174.55 3kul s SER 777 N 0.29 2.57 -0.31 3.32 1.04 -0.86 -1.95 113.70 117.80 3kul s SER 777 Ca 0.54 -1.71 -0.07 0.00 0.48 0.00 0.00 55.95 55.18 3kul s SER 777 Cb -0.32 0.55 0.01 0.00 0.10 0.00 0.00 66.02 66.36 3kul s SER 777 CO 0.35 -0.98 0.28 -0.67 0.98 0.00 0.00 173.24 173.20 3kul n ASP 778 N -1.39 -7.02 -1.86 7.02 -0.08 -1.26 -4.89 116.55 107.07 3kul n ASP 778 Ca -0.03 0.79 -0.13 0.00 -1.51 0.00 0.00 54.79 53.90 3kul n ASP 778 Cb 0.64 -4.66 0.22 0.00 2.34 0.00 0.00 41.12 39.66 3kul n ASP 778 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 3kul n PHE 779 N 0.08 2.36 0.09 -0.67 3.72 -1.26 -4.54 117.46 117.24 3kul n PHE 779 Ca 0.06 -1.59 -0.06 0.00 -0.05 0.00 0.00 57.45 55.80 3kul n PHE 779 Cb 0.21 -0.75 0.01 0.00 -0.94 0.00 0.00 39.48 38.01 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 1.45 0.10 -1.95 1.37 0.00 -1.92 -2.85 103.07 99.27 3kul h GLY 780 Ca 0.42 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.56 3kul h GLY 780 CO 0.81 0.17 0.00 1.04 0.00 0.00 0.00 176.54 178.55 3kul n LEU 781 N -3.61 3.03 -4.73 3.11 4.77 -1.26 -4.98 117.00 113.33 3kul n LEU 781 Ca -0.02 -1.07 -0.42 0.00 -0.03 0.00 0.00 56.01 54.47 3kul n LEU 781 Cb 0.80 -0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 41.81 3kul n LEU 781 CO 0.46 0.53 1.07 -0.44 -1.33 0.00 0.00 177.39 177.69 3kul s SER 782 N -1.91 6.78 0.06 -1.43 0.01 -1.08 -4.71 113.70 111.42 3kul s SER 782 Ca 0.30 2.45 0.02 0.00 1.31 0.00 0.00 55.95 60.03 3kul s SER 782 Cb 0.21 -2.60 -0.03 0.00 0.21 0.00 0.00 66.02 63.80 3kul s SER 782 CO 0.30 -0.65 -0.08 -0.13 0.41 0.00 0.00 173.24 173.09 3kul s ARG 783 N 0.50 0.66 0.27 12.44 1.81 -0.59 -4.98 118.95 129.05 3kul s ARG 783 Ca 0.62 -0.97 -0.22 0.00 -1.72 0.00 0.00 55.73 53.45 3kul s ARG 783 Cb -0.39 -0.32 -0.09 0.00 -0.45 0.00 0.00 34.95 33.71 3kul s ARG 783 CO 0.35 0.04 0.80 0.54 -0.68 0.00 0.00 175.30 176.35 3kul s VAL 784 N -2.12 4.45 0.35 3.52 0.11 -1.26 -0.89 120.40 124.56 3kul s VAL 784 Ca -0.02 1.46 0.02 0.00 -2.93 0.00 0.00 61.98 60.50 3kul s VAL 784 Cb -0.05 -3.89 0.07 0.00 -1.53 0.00 0.00 36.38 30.98 3kul s VAL 784 CO -0.01 0.15 0.49 0.18 -3.33 0.00 0.00 175.10 172.58 3kul n LEU 785 N 0.59 0.00 -0.13 2.54 4.77 -0.13 -4.92 117.00 119.71 3kul n LEU 785 Ca -0.00 -1.16 -0.27 0.00 -0.03 0.00 0.00 56.01 54.55 3kul n LEU 785 Cb 0.51 -0.30 -0.10 0.00 -2.33 0.00 0.00 43.42 41.20 3kul n LEU 785 CO 0.43 -0.71 -1.38 -1.84 -1.33 0.00 0.00 177.39 172.56 3kul n GLU 786 N -1.86 0.56 0.00 3.23 0.00 -1.26 -5.03 120.64 116.28 3kul n GLU 786 Ca 0.09 0.23 0.00 0.00 0.00 0.00 0.00 57.16 57.48 3kul n GLU 786 Cb 0.31 -1.43 0.00 0.00 0.00 0.00 0.00 31.44 30.31 3kul n GLU 786 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3kul n ALA 791 N -4.04 0.00 -2.69 -1.84 0.00 -1.26 -5.10 120.51 105.58 3kul n ALA 791 Ca -0.50 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 52.63 3kul n ALA 791 Cb 0.88 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 20.25 3kul n ALA 791 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kul s ALA 792 N 0.00 3.77 -0.26 0.00 0.00 -1.26 -4.45 121.76 119.56 3kul s ALA 792 Ca 0.00 -0.55 -0.19 0.00 0.00 0.00 0.00 51.96 51.23 3kul s ALA 792 Cb 0.00 0.28 0.07 0.00 0.00 0.00 0.00 23.12 23.47 3kul s ALA 792 CO 0.00 -0.13 0.67 -0.47 0.00 0.00 0.00 175.76 175.83 3kul s TYR 793 N -2.99 -0.91 -0.13 0.00 5.04 0.43 -4.87 117.35 113.92 3kul s TYR 793 Ca 0.10 1.96 -0.03 0.00 -2.44 0.00 0.00 57.07 56.67 3kul s TYR 793 Cb 0.01 0.46 -0.03 0.00 0.35 0.00 0.00 41.96 42.75 3kul s TYR 793 CO 0.06 -0.45 -0.03 0.99 -1.34 0.00 0.00 175.55 174.78 3kul s THR 794 N 1.10 3.98 -0.36 4.34 2.01 -1.25 -0.36 115.64 125.09 3kul s THR 794 Ca -0.06 -0.34 -0.12 0.00 0.31 0.00 0.00 61.69 61.47 3kul s THR 794 Cb -0.05 -2.71 0.01 0.00 0.01 0.00 0.00 72.50 69.76 3kul s THR 794 CO -0.11 0.54 0.23 -0.89 -0.69 0.00 0.00 174.62 173.70 3kul s THR 795 N -0.12 4.96 0.00 -0.82 2.01 -1.21 -5.05 115.64 115.40 3kul s THR 795 Ca 0.03 -0.56 0.00 0.00 0.31 0.00 0.00 61.69 61.47 3kul s THR 795 Cb -0.13 -3.67 0.00 0.00 0.01 0.00 0.00 72.50 68.72 3kul s THR 795 CO 0.02 -0.14 1.09 0.35 -0.69 0.00 0.00 174.62 175.25 3kul n THR 796 N 5.07 1.09 0.00 -0.82 -2.24 -1.26 -5.00 114.28 111.12 3kul n THR 796 Ca -0.12 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 3kul n THR 796 Cb 0.48 -1.26 0.00 0.00 -2.10 0.00 0.00 70.33 67.45 3kul n THR 796 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 3kul n ILE 800 N 1.68 0.00 -2.19 2.28 -0.00 -1.26 -5.22 119.36 114.65 3kul n ILE 800 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 62.75 62.44 3kul n ILE 800 Cb 0.28 0.00 -0.04 0.00 -0.00 0.00 0.00 39.64 39.87 3kul n ILE 800 CO 0.00 0.00 0.00 -2.16 -0.00 0.00 0.00 176.55 174.39 3kul s PRO 801 N -1.81 2.85 0.32 6.28 0.04 -1.26 -4.87 135.00 136.55 3kul s PRO 801 Ca 0.00 -0.49 0.11 0.00 0.04 0.00 0.00 61.00 60.66 3kul s PRO 801 Cb 0.00 -5.11 0.94 0.00 0.04 0.00 0.00 34.50 30.37 3kul s PRO 801 CO 0.00 -3.03 1.71 0.82 0.04 0.00 0.00 177.00 176.54 3kul h ILE 802 N 7.11 0.45 0.00 0.56 2.04 -1.99 -2.28 117.51 123.40 3kul h ILE 802 Ca 0.11 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.80 3kul h ILE 802 Cb 1.01 -0.08 0.00 0.00 -0.74 0.00 0.00 36.82 37.02 3kul h ILE 802 CO 1.27 0.09 0.00 0.03 0.00 0.00 0.00 178.15 179.54 3kul h ARG 803 N 0.49 0.00 -0.01 2.37 3.08 -1.94 -3.08 114.38 115.29 3kul h ARG 803 Ca 0.67 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.72 3kul h ARG 803 Cb 1.36 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.41 3kul h ARG 803 CO -0.52 0.00 -0.14 0.91 -1.07 0.00 0.00 179.97 179.15 3kul n TRP 804 N -2.47 0.00 -3.81 3.04 8.01 -0.88 -4.98 117.44 116.35 3kul n TRP 804 Ca 0.03 0.00 -0.36 0.00 -1.31 0.00 0.00 57.50 55.86 3kul n TRP 804 Cb 0.34 0.00 -0.07 0.00 -2.01 0.00 0.00 31.31 29.57 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 -1.08 5.46 0.48 -0.99 2.01 -1.08 -3.94 115.64 116.49 3kul s THR 805 Ca 0.06 0.23 -0.23 0.00 0.31 0.00 0.00 61.69 62.06 3kul s THR 805 Cb 0.06 -3.44 -0.08 0.00 0.01 0.00 0.00 72.50 69.05 3kul s THR 805 CO 0.18 0.56 1.22 0.00 -0.69 0.00 0.00 174.62 175.89 3kul n ALA 806 N 2.50 1.10 0.02 7.40 0.00 -1.26 -4.80 120.51 125.48 3kul n ALA 806 Ca -0.18 0.19 0.04 0.00 0.00 0.00 0.00 53.44 53.48 3kul n ALA 806 Cb 0.54 -2.25 0.43 0.00 0.00 0.00 0.00 19.45 18.17 3kul n ALA 806 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3kul h PRO 807 N 1.62 0.49 0.00 0.00 0.11 -1.96 -1.02 132.00 131.25 3kul h PRO 807 Ca -0.48 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 65.50 3kul h PRO 807 Cb 1.31 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 3kul h PRO 807 CO 0.57 0.35 -0.43 1.05 -0.21 0.00 0.00 178.00 179.34 3kul h GLU 808 N 0.50 0.00 0.08 1.05 9.09 -1.91 0.62 114.58 124.01 3kul h GLU 808 Ca 0.13 0.00 -0.26 0.00 0.05 0.00 0.00 59.36 59.28 3kul h GLU 808 Cb -0.02 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.09 3kul h GLU 808 CO -0.03 0.43 -1.12 0.00 0.05 0.00 0.00 179.01 178.34 3kul h ALA 809 N 1.57 0.19 -0.00 1.06 0.00 -1.40 0.58 119.26 121.27 3kul h ALA 809 Ca -0.00 -0.79 -0.00 0.00 0.00 0.00 0.00 54.91 54.12 3kul h ALA 809 Cb 0.77 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 3kul h ALA 809 CO 0.06 0.85 0.00 0.82 0.00 0.00 0.00 179.25 180.98 3kul h ILE 810 N 0.17 1.11 -0.01 0.00 2.04 -1.09 -1.99 117.51 117.74 3kul h ILE 810 Ca -0.12 -0.32 -0.05 0.00 1.00 0.00 0.00 64.86 65.37 3kul h ILE 810 Cb 1.80 1.32 0.00 0.00 -0.74 0.00 0.00 36.82 39.20 3kul h ILE 810 CO 0.19 0.08 -0.18 0.00 0.00 0.00 0.00 178.15 178.24 3kul h ALA 811 N 0.87 0.03 -0.01 1.87 0.00 -0.92 -3.38 119.26 117.71 3kul h ALA 811 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3kul h ALA 811 Cb 0.13 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3kul h ALA 811 CO -0.00 0.03 0.00 1.19 0.00 0.00 0.00 179.25 180.47 3kul n PHE 812 N -4.56 0.02 -2.40 0.00 3.72 0.19 -4.99 117.46 109.43 3kul n PHE 812 Ca -0.09 -0.41 -0.14 0.00 -0.05 0.00 0.00 57.45 56.76 3kul n PHE 812 Cb 0.46 -0.04 -0.01 0.00 -0.94 0.00 0.00 39.48 38.95 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 -0.36 -2.07 -3.22 -1.08 1.74 -0.75 -4.94 116.66 105.97 3kul n ARG 813 Ca 0.01 0.70 -0.44 0.00 -0.77 0.00 0.00 57.85 57.35 3kul n ARG 813 Cb 0.21 -5.31 -0.06 0.00 -1.02 0.00 0.00 32.46 26.28 3kul n ARG 813 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3kul s THR 814 N -2.70 4.98 -0.11 0.55 -4.23 -1.22 -3.35 115.64 109.55 3kul s THR 814 Ca 0.00 -0.72 -0.06 0.00 -1.18 0.00 0.00 61.69 59.73 3kul s THR 814 Cb 0.00 -4.27 -0.04 0.00 1.34 0.00 0.00 72.50 69.53 3kul s THR 814 CO 0.00 -0.77 0.11 -0.36 -0.54 0.00 0.00 174.62 173.05 3kul s PHE 815 N 2.34 3.50 0.25 3.99 0.08 0.51 -3.73 117.98 124.92 3kul s PHE 815 Ca 0.11 0.45 -0.10 0.00 0.12 0.00 0.00 56.93 57.51 3kul s PHE 815 Cb -0.21 -1.91 -0.01 0.00 -0.57 0.00 0.00 43.02 40.32 3kul s PHE 815 CO 0.10 0.67 0.42 -1.54 -0.10 0.00 0.00 175.22 174.77 3kul s SER 816 N -0.97 0.01 0.50 1.36 1.04 -1.26 -0.43 113.70 113.94 3kul s SER 816 Ca 0.14 -1.04 0.20 0.00 0.48 0.00 0.00 55.95 55.73 3kul s SER 816 Cb -0.12 0.56 1.26 0.00 0.10 0.00 0.00 66.02 67.82 3kul s SER 816 CO 0.04 -1.11 2.03 0.28 0.98 0.00 0.00 173.24 175.46 3kul h SER 817 N 2.30 0.11 0.50 7.02 0.02 -1.89 -1.60 113.55 120.00 3kul h SER 817 Ca -0.28 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.55 3kul h SER 817 Cb 1.25 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 63.75 3kul h SER 817 CO 0.38 0.07 -0.55 0.00 -1.14 0.00 0.00 176.83 175.59 3kul h ALA 818 N 1.79 1.05 -0.02 3.77 0.00 -1.91 -1.13 119.26 122.81 3kul h ALA 818 Ca 0.20 -0.50 -0.18 0.00 0.00 0.00 0.00 54.91 54.42 3kul h ALA 818 Cb 0.62 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3kul h ALA 818 CO -0.02 0.69 -0.78 0.66 0.00 0.00 0.00 179.25 179.80 3kul h SER 819 N 0.04 0.26 -0.69 0.00 4.64 -1.66 -2.53 113.55 113.61 3kul h SER 819 Ca -0.00 -0.19 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 3kul h SER 819 Cb 0.99 -0.08 -0.03 0.00 -0.31 0.00 0.00 62.40 62.97 3kul h SER 819 CO 0.07 0.94 0.44 0.44 -0.87 0.00 0.00 176.83 177.86 3kul h ASP 820 N 0.13 0.82 -0.58 4.97 3.32 -1.13 -2.11 116.42 121.83 3kul h ASP 820 Ca -0.03 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 3kul h ASP 820 Cb 1.36 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 40.68 3kul h ASP 820 CO 0.12 0.61 0.32 0.58 -1.72 0.00 0.00 179.24 179.15 3kul h VAL 821 N 0.95 1.19 -0.49 -1.35 2.07 -1.11 0.19 116.25 117.71 3kul h VAL 821 Ca 0.25 -0.47 0.07 0.00 0.82 0.00 0.00 66.70 67.38 3kul h VAL 821 Cb -0.08 0.44 -0.06 0.00 -1.52 0.00 0.00 31.29 30.07 3kul h VAL 821 CO -0.05 0.20 0.13 -0.25 0.02 0.00 0.00 177.57 177.63 3kul h TRP 822 N 0.79 0.23 -0.85 1.57 2.91 -1.13 -1.78 115.95 117.69 3kul h TRP 822 Ca 0.21 0.03 -0.01 0.00 1.13 0.00 0.00 58.89 60.24 3kul h TRP 822 Cb 0.04 -0.03 -0.04 0.00 -0.51 0.00 0.00 29.16 28.62 3kul h TRP 822 CO -0.01 0.04 0.48 0.77 -1.03 0.00 0.00 178.44 178.70 3kul h SER 823 N 0.29 1.04 -0.86 2.65 0.02 -0.77 -2.46 113.55 113.45 3kul h SER 823 Ca 0.24 -0.09 0.07 0.00 -0.84 0.00 0.00 61.79 61.17 3kul h SER 823 Cb 0.29 -0.26 -0.06 0.00 0.14 0.00 0.00 62.40 62.50 3kul h SER 823 CO -0.28 0.83 0.53 0.15 -1.14 0.00 0.00 176.83 176.91 3kul h PHE 824 N 1.18 0.98 -0.80 3.45 3.57 -0.15 -0.67 116.94 124.48 3kul h PHE 824 Ca 0.30 0.03 0.10 0.00 3.53 0.00 0.00 57.97 61.93 3kul h PHE 824 Cb -0.00 -0.31 -0.08 0.00 2.79 0.00 0.00 35.95 38.35 3kul h PHE 824 CO 0.00 0.48 0.44 0.78 -2.23 0.00 0.00 178.31 177.78 3kul h GLY 825 N 0.95 1.25 1.08 2.40 0.00 -0.86 0.77 103.07 108.67 3kul h GLY 825 Ca 0.38 -0.29 -0.14 0.00 0.00 0.00 0.00 47.33 47.29 3kul h GLY 825 CO -0.19 0.09 -0.29 -2.08 0.00 0.00 0.00 176.54 174.08 3kul h VAL 826 N 0.73 1.28 -0.57 4.60 2.07 -1.14 -0.97 116.25 122.24 3kul h VAL 826 Ca 0.40 -1.45 0.04 0.00 0.82 0.00 0.00 66.70 66.51 3kul h VAL 826 Cb 0.41 1.31 -0.05 0.00 -1.52 0.00 0.00 31.29 31.45 3kul h VAL 826 CO -0.27 0.49 0.31 0.58 0.02 0.00 0.00 177.57 178.70 3kul h VAL 827 N 0.73 0.99 -0.57 2.57 2.07 -0.55 0.19 116.25 121.67 3kul h VAL 827 Ca 0.08 -0.20 0.04 0.00 0.82 0.00 0.00 66.70 67.43 3kul h VAL 827 Cb 0.87 0.34 -0.04 0.00 -1.52 0.00 0.00 31.29 30.93 3kul h VAL 827 CO 0.08 0.11 0.32 0.24 0.02 0.00 0.00 177.57 178.34 3kul h MET 828 N 0.60 0.61 -0.04 1.57 2.86 -0.38 -0.13 114.93 120.02 3kul h MET 828 Ca 0.25 -0.04 0.01 0.00 -2.06 0.00 0.00 59.70 57.85 3kul h MET 828 Cb 0.12 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.63 3kul h MET 828 CO -0.15 0.40 -0.01 2.35 1.06 0.00 0.00 176.91 180.57 3kul h TRP 829 N 0.63 -0.01 -0.53 -0.22 7.01 -0.53 -1.72 115.95 120.57 3kul h TRP 829 Ca 0.24 0.00 0.07 0.00 2.11 0.00 0.00 58.89 61.32 3kul h TRP 829 Cb 0.09 0.01 -0.06 0.00 -2.10 0.00 0.00 29.16 27.10 3kul h TRP 829 CO -0.08 -0.01 0.20 0.93 -2.79 0.00 0.00 178.44 176.69 3kul h GLU 830 N 0.00 0.37 -0.12 2.65 5.08 0.05 0.00 114.58 122.61 3kul h GLU 830 Ca 0.02 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 3kul h GLU 830 Cb 0.02 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 3kul h GLU 830 CO -0.03 0.24 0.05 0.28 -1.00 0.00 0.00 179.01 178.55 3kul h VAL 831 N 0.38 1.16 0.00 3.13 2.07 -0.92 0.14 116.25 122.20 3kul h VAL 831 Ca 0.25 -0.48 -0.04 0.00 0.82 0.00 0.00 66.70 67.26 3kul h VAL 831 Cb 0.27 1.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 3kul h VAL 831 CO -0.25 0.14 -0.20 -0.07 0.02 0.00 0.00 177.57 177.21 3kul h LEU 832 N 0.04 0.00 -1.12 2.57 3.38 -1.01 -1.10 115.31 118.06 3kul h LEU 832 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3kul h LEU 832 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 3kul h LEU 832 CO -0.00 0.20 0.00 0.00 0.09 0.00 0.00 178.44 178.73 3kul n ALA 833 N -2.27 2.49 -3.70 1.53 0.00 -0.04 -4.82 120.51 113.70 3kul n ALA 833 Ca -0.01 -0.54 -0.31 0.00 0.00 0.00 0.00 53.44 52.58 3kul n ALA 833 Cb 0.35 -1.04 0.04 0.00 0.00 0.00 0.00 19.45 18.80 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 0.36 -1.89 -1.59 0.00 4.02 -0.42 -2.98 117.16 114.66 3kul n TYR 834 Ca 0.13 0.47 -0.12 0.00 -0.01 0.00 0.00 57.90 58.38 3kul n TYR 834 Cb 0.29 -3.46 -0.04 0.00 -0.02 0.00 0.00 39.34 36.11 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 -1.70 0.88 3.76 2.72 0.00 0.39 -3.67 105.19 107.57 3kul n GLY 835 Ca -0.11 -0.47 -0.37 0.00 0.00 0.00 0.00 46.02 45.08 3kul n GLY 835 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kul s GLU 836 N -3.44 3.23 0.02 1.61 2.12 -1.16 -4.86 118.70 116.23 3kul s GLU 836 Ca 0.00 1.90 -0.30 0.00 0.36 0.00 0.00 54.97 56.92 3kul s GLU 836 Cb 0.00 -2.13 -0.06 0.00 0.26 0.00 0.00 34.13 32.20 3kul s GLU 836 CO 0.00 -1.02 1.34 0.50 -0.54 0.00 0.00 175.26 175.55 3kul s ARG 837 N -3.07 4.32 0.17 4.30 3.52 -1.26 -4.79 118.95 122.14 3kul s ARG 837 Ca 0.72 1.92 -0.31 0.00 -0.13 0.00 0.00 55.73 57.93 3kul s ARG 837 Cb -0.32 -3.48 -0.10 0.00 -1.56 0.00 0.00 34.95 29.50 3kul s ARG 837 CO 0.37 -0.49 1.56 -2.14 -0.81 0.00 0.00 175.30 173.79 3kul s PRO 838 N 1.93 4.22 -1.22 5.12 0.02 -1.26 -2.43 135.00 141.38 3kul s PRO 838 Ca 0.62 2.35 -0.07 0.00 0.02 0.00 0.00 61.00 63.92 3kul s PRO 838 Cb -0.31 -3.16 0.01 0.00 0.02 0.00 0.00 34.50 31.06 3kul s PRO 838 CO 0.27 -0.59 0.93 0.66 -0.33 0.00 0.00 177.00 177.93 3kul n TYR 839 N 3.90 -2.35 -0.13 6.54 4.01 -1.26 -4.88 117.16 122.99 3kul n TYR 839 Ca 0.13 0.80 0.23 0.00 -0.16 0.00 0.00 57.90 58.90 3kul n TYR 839 Cb 0.39 -4.43 0.66 0.00 -0.31 0.00 0.00 39.34 35.65 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 -2.12 0.13 0.00 -0.72 5.08 -1.89 0.19 115.95 116.63 3kul h TRP 840 Ca -0.49 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.48 3kul h TRP 840 Cb 1.32 -0.04 0.00 0.00 -3.00 0.00 0.00 29.16 27.44 3kul h TRP 840 CO 0.44 0.04 0.00 0.27 -1.28 0.00 0.00 178.44 177.91 3kul n ASN 841 N -4.36 0.00 -4.20 0.11 2.04 -1.26 -4.89 115.26 102.69 3kul n ASN 841 Ca 0.16 -1.24 -0.24 0.00 -0.44 0.00 0.00 54.58 52.82 3kul n ASN 841 Cb 0.77 0.00 -0.14 0.00 -2.53 0.00 0.00 39.78 37.88 3kul n ASN 841 CO 0.00 0.00 0.00 -0.04 -0.44 0.00 0.00 177.26 176.78 3kul s MET 842 N -2.00 1.23 0.79 -3.83 -1.94 0.67 -5.13 119.30 109.09 3kul s MET 842 Ca 0.35 -0.84 -0.12 0.00 -1.71 0.00 0.00 55.69 53.37 3kul s MET 842 Cb 0.16 -1.29 0.07 0.00 2.01 0.00 0.00 34.83 35.77 3kul s MET 842 CO 0.27 0.33 1.14 -0.08 -0.01 0.00 0.00 175.02 176.66 3kul s THR 843 N -0.76 2.61 0.23 2.05 -1.32 -1.26 -4.86 115.64 112.33 3kul s THR 843 Ca 0.05 0.20 -0.07 0.00 -1.21 0.00 0.00 61.69 60.66 3kul s THR 843 Cb -0.08 -3.12 0.19 0.00 -1.51 0.00 0.00 72.50 67.98 3kul s THR 843 CO 0.01 -0.26 1.85 0.78 -2.21 0.00 0.00 174.62 174.80 3kul h ASN 844 N -1.01 0.82 0.50 8.08 2.35 -2.00 -1.04 115.58 123.28 3kul h ASN 844 Ca -0.47 0.01 -0.13 0.00 -0.55 0.00 0.00 56.30 55.16 3kul h ASN 844 Cb 1.30 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 39.49 3kul h ASN 844 CO 0.64 0.54 -0.58 0.08 -1.65 0.00 0.00 177.43 176.46 3kul h ARG 845 N 0.96 0.09 -0.57 0.81 0.11 -2.00 -2.24 114.38 111.53 3kul h ARG 845 Ca 0.34 -0.06 -0.09 0.00 0.10 0.00 0.00 59.98 60.27 3kul h ARG 845 Cb 0.10 0.01 -0.02 0.00 1.11 0.00 0.00 29.97 31.16 3kul h ARG 845 CO -0.15 0.64 -0.00 0.22 0.10 0.00 0.00 179.97 180.78 3kul h ASP 846 N 0.07 0.97 0.26 0.08 3.58 -1.79 -2.56 116.42 117.02 3kul h ASP 846 Ca -0.00 -0.27 -0.01 0.00 0.42 0.00 0.00 57.03 57.17 3kul h ASP 846 Cb 1.04 -0.26 -0.00 0.00 1.72 0.00 0.00 39.33 41.83 3kul h ASP 846 CO 0.08 1.02 -0.16 0.58 -2.88 0.00 0.00 179.24 177.89 3kul h VAL 847 N 0.91 0.66 -0.15 2.25 2.07 -0.72 -0.75 116.25 120.52 3kul h VAL 847 Ca 0.16 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.73 3kul h VAL 847 Cb 0.53 0.66 -0.04 0.00 -1.52 0.00 0.00 31.29 30.92 3kul h VAL 847 CO 0.03 0.00 -0.11 0.40 0.02 0.00 0.00 177.57 177.90 3kul h ILE 848 N -0.40 0.67 -0.13 4.57 5.03 -1.43 -1.42 117.51 124.39 3kul h ILE 848 Ca -0.02 0.00 -0.19 0.00 -0.12 0.00 0.00 64.86 64.53 3kul h ILE 848 Cb 0.34 0.67 0.01 0.00 -3.03 0.00 0.00 36.82 34.80 3kul h ILE 848 CO 0.02 0.00 -0.66 0.77 -0.68 0.00 0.00 178.15 177.61 3kul h SER 849 N -0.12 0.80 -0.72 1.72 4.64 -1.44 -2.62 113.55 115.80 3kul h SER 849 Ca 0.10 -0.64 -0.06 0.00 -0.47 0.00 0.00 61.79 60.71 3kul h SER 849 Cb 0.26 -0.24 -0.03 0.00 -0.31 0.00 0.00 62.40 62.09 3kul h SER 849 CO -0.23 1.31 0.20 0.28 -0.87 0.00 0.00 176.83 177.52 3kul h SER 850 N 0.34 1.07 -0.42 4.97 0.02 -1.14 -1.18 113.55 117.21 3kul h SER 850 Ca -0.05 -0.22 -0.07 0.00 -0.84 0.00 0.00 61.79 60.61 3kul h SER 850 Cb 1.30 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 63.54 3kul h SER 850 CO 0.14 1.01 -0.02 0.58 -1.14 0.00 0.00 176.83 177.39 3kul h VAL 851 N 1.08 1.26 -0.18 2.27 2.07 -1.24 0.20 116.25 121.72 3kul h VAL 851 Ca 0.23 -1.07 -0.10 0.00 0.82 0.00 0.00 66.70 66.58 3kul h VAL 851 Cb 0.34 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 3kul h VAL 851 CO -0.00 0.36 -0.33 1.05 0.02 0.00 0.00 177.57 178.67 3kul h GLU 852 N 0.59 0.36 0.00 1.57 4.11 -1.42 -0.08 114.58 119.70 3kul h GLU 852 Ca 0.12 -0.15 0.00 0.00 0.07 0.00 0.00 59.36 59.40 3kul h GLU 852 Cb 0.52 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.75 3kul h GLU 852 CO 0.03 0.65 0.00 -1.91 0.07 0.00 0.00 179.01 177.84 3kul n GLU 853 N -4.08 0.06 0.00 1.06 2.13 -0.45 -4.88 120.64 114.47 3kul n GLU 853 Ca -0.01 0.24 0.00 0.00 0.66 0.00 0.00 57.16 58.05 3kul n GLU 853 Cb 0.44 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.65 3kul n GLU 853 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3kul n GLY 854 N -0.18 0.89 3.77 8.31 0.00 -0.04 -5.06 105.19 112.88 3kul n GLY 854 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 3kul n GLY 854 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3kul s TYR 855 N -2.00 2.82 0.01 1.61 5.04 0.62 -4.97 117.35 120.48 3kul s TYR 855 Ca 0.00 1.21 0.03 0.00 -2.44 0.00 0.00 57.07 55.88 3kul s TYR 855 Cb 0.00 -3.88 -0.01 0.00 0.35 0.00 0.00 41.96 38.42 3kul s TYR 855 CO 0.00 -2.58 -0.11 1.03 -1.34 0.00 0.00 175.55 172.55 3kul s ARG 856 N -1.65 0.79 0.04 4.97 1.81 -1.26 -4.32 118.95 119.34 3kul s ARG 856 Ca 0.53 -0.50 -0.37 0.00 -1.72 0.00 0.00 55.73 53.66 3kul s ARG 856 Cb -0.44 -0.75 -0.16 0.00 -0.45 0.00 0.00 34.95 33.15 3kul s ARG 856 CO 0.56 0.20 1.40 1.28 -0.68 0.00 0.00 175.30 178.06 3kul n LEU 857 N 2.43 1.79 -4.79 2.53 4.77 -1.26 -4.94 117.00 117.53 3kul n LEU 857 Ca -0.16 1.11 -0.35 0.00 -0.03 0.00 0.00 56.01 56.58 3kul n LEU 857 Cb 0.56 -1.19 -0.03 0.00 -2.33 0.00 0.00 43.42 40.43 3kul n LEU 857 CO 0.24 -0.94 0.75 -2.16 -1.33 0.00 0.00 177.39 173.95 3kul s PRO 858 N 0.91 3.84 0.03 3.23 0.04 -1.26 -4.96 135.00 136.83 3kul s PRO 858 Ca 0.86 1.51 -0.37 0.00 0.04 0.00 0.00 61.00 63.04 3kul s PRO 858 Cb -0.96 -2.27 -0.17 0.00 0.04 0.00 0.00 34.50 31.15 3kul s PRO 858 CO 0.49 -0.42 1.38 0.00 0.04 0.00 0.00 177.00 178.49 3kul n ALA 859 N -0.67 -1.00 -1.46 8.56 0.00 -1.26 -4.95 120.51 119.73 3kul n ALA 859 Ca 0.08 0.50 -0.33 0.00 0.00 0.00 0.00 53.44 53.69 3kul n ALA 859 Cb 0.51 -2.08 0.06 0.00 0.00 0.00 0.00 19.45 17.94 3kul n ALA 859 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3kul s PRO 860 N 0.89 2.59 0.31 0.00 0.02 -1.26 -4.95 135.00 132.60 3kul s PRO 860 Ca 0.87 1.50 -0.29 0.00 0.02 0.00 0.00 61.00 63.09 3kul s PRO 860 Cb -0.99 -1.92 -0.12 0.00 0.02 0.00 0.00 34.50 31.50 3kul s PRO 860 CO 0.50 -1.43 1.46 -0.12 -0.33 0.00 0.00 177.00 177.08 3kul n MET 861 N -2.51 2.42 -0.19 5.54 0.00 -1.26 -1.80 117.12 119.32 3kul n MET 861 Ca 0.11 0.86 0.00 0.00 -0.00 0.00 0.00 57.70 58.67 3kul n MET 861 Cb 0.51 -2.55 0.00 0.00 0.00 0.00 0.00 33.22 31.18 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 1.43 1.53 3.67 -5.12 0.00 -1.26 -4.94 105.19 100.49 3kul n GLY 862 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 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 3.15 2.88 0.14 0.00 0.02 -1.26 -4.86 135.00 135.07 3kul s PRO 864 Ca 0.58 2.01 -0.19 0.00 0.02 0.00 0.00 61.00 63.42 3kul s PRO 864 Cb -0.25 -1.99 0.01 0.00 0.02 0.00 0.00 34.50 32.29 3kul s PRO 864 CO 0.19 -1.32 1.70 1.25 -0.33 0.00 0.00 177.00 178.49 3kul h HIS 865 N 0.93 -0.11 -0.21 6.54 -0.00 -1.96 -2.16 115.15 118.18 3kul h HIS 865 Ca -0.51 0.02 0.01 0.00 -0.00 0.00 0.00 60.37 59.89 3kul h HIS 865 Cb 1.31 0.09 -0.01 0.00 -0.00 0.00 0.00 27.41 28.80 3kul h HIS 865 CO 0.45 -0.10 0.14 0.00 -0.00 0.00 0.00 177.93 178.42 3kul h ALA 866 N 1.25 1.87 -0.40 5.26 0.00 -1.99 -0.10 119.26 125.16 3kul h ALA 866 Ca 0.13 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.89 3kul h ALA 866 Cb 0.19 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3kul h ALA 866 CO -0.26 0.11 -0.29 -0.07 0.00 0.00 0.00 179.25 178.75 3kul h LEU 867 N 0.26 0.94 -0.36 0.00 3.38 -1.79 -1.31 115.31 116.43 3kul h LEU 867 Ca 0.08 -0.44 -0.06 0.00 0.09 0.00 0.00 57.88 57.55 3kul h LEU 867 Cb 0.00 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 3kul h LEU 867 CO -0.02 1.17 -0.02 -0.74 0.09 0.00 0.00 178.44 178.93 3kul h HIS 868 N 0.71 0.71 -0.15 1.13 2.76 -0.73 -2.08 115.15 117.50 3kul h HIS 868 Ca 0.08 -0.13 0.03 0.00 -2.20 0.00 0.00 60.37 58.15 3kul h HIS 868 Cb 0.87 -0.18 -0.03 0.00 1.55 0.00 0.00 27.41 29.61 3kul h HIS 868 CO 0.06 0.76 -0.05 0.37 -1.30 0.00 0.00 177.93 177.77 3kul h GLN 869 N 0.46 -0.02 -0.72 5.26 5.75 -1.00 -0.58 115.11 124.26 3kul h GLN 869 Ca 0.10 0.00 0.15 0.00 -0.15 0.00 0.00 58.65 58.75 3kul h GLN 869 Cb 0.49 0.00 -0.10 0.00 1.07 0.00 0.00 27.48 28.94 3kul h GLN 869 CO 0.02 -0.01 0.21 1.25 -2.65 0.00 0.00 178.83 177.65 3kul h LEU 870 N -0.02 0.09 0.25 -2.39 5.85 -1.19 0.29 115.31 118.20 3kul h LEU 870 Ca 0.08 0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.93 3kul h LEU 870 Cb 0.13 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 3kul h LEU 870 CO -0.17 0.01 -0.21 0.24 -0.34 0.00 0.00 178.44 177.98 3kul h MET 871 N 0.32 -0.45 -1.00 1.25 2.86 -0.60 -1.44 114.93 115.87 3kul h MET 871 Ca 0.40 0.03 0.19 0.00 -2.06 0.00 0.00 59.70 58.26 3kul h MET 871 Cb 0.65 0.10 -0.10 0.00 0.06 0.00 0.00 31.60 32.31 3kul h MET 871 CO -0.46 -0.30 0.61 -0.07 1.06 0.00 0.00 176.91 177.75 3kul h LEU 872 N -0.47 0.77 -0.52 1.22 3.38 -0.84 -1.56 115.31 117.30 3kul h LEU 872 Ca -0.01 0.09 -0.12 0.00 0.09 0.00 0.00 57.88 57.93 3kul h LEU 872 Cb 0.43 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 3kul h LEU 872 CO -0.03 0.28 -0.13 0.44 0.09 0.00 0.00 178.44 179.10 3kul h ASP 873 N 0.76 1.00 -0.05 -0.43 3.32 -0.61 -1.95 116.42 118.46 3kul h ASP 873 Ca 0.57 -0.36 0.02 0.00 0.02 0.00 0.00 57.03 57.27 3kul h ASP 873 Cb 0.89 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 40.17 3kul h ASP 873 CO -0.36 1.13 0.06 0.00 -1.72 0.00 0.00 179.24 178.35 3kul n TRP 875 N -3.92 2.20 -1.88 0.00 8.01 -0.73 -3.63 117.44 117.49 3kul n TRP 875 Ca -0.02 -1.33 -0.39 0.00 -1.31 0.00 0.00 57.50 54.45 3kul n TRP 875 Cb 0.15 -0.66 0.01 0.00 -2.01 0.00 0.00 31.31 28.80 3kul n TRP 875 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.69 175.10 3kul s HIS 876 N -3.07 2.55 0.25 -5.99 2.46 -1.04 -4.90 115.29 105.56 3kul s HIS 876 Ca 0.53 1.32 -0.05 0.00 0.47 0.00 0.00 55.06 57.33 3kul s HIS 876 Cb 0.43 -3.82 0.28 0.00 -0.13 0.00 0.00 32.58 29.34 3kul s HIS 876 CO 0.11 -2.66 1.84 -0.22 -2.47 0.00 0.00 174.74 171.33 3kul h LYS 877 N 2.31 1.10 -5.90 2.88 3.64 -1.93 -3.38 116.57 115.29 3kul h LYS 877 Ca -0.50 -0.17 -0.62 0.00 -1.27 0.00 0.00 60.65 58.09 3kul h LYS 877 Cb 1.26 -0.19 -0.12 0.00 -0.41 0.00 0.00 32.23 32.77 3kul h LYS 877 CO 0.61 0.86 0.43 0.34 -2.27 0.00 0.00 179.45 179.42 3kul s ASP 878 N -6.39 6.44 0.46 4.20 -1.08 -1.26 -4.94 116.67 114.10 3kul s ASP 878 Ca -0.12 -0.05 0.16 0.00 -0.52 0.00 0.00 52.55 52.03 3kul s ASP 878 Cb 0.16 -2.41 1.12 0.00 -1.46 0.00 0.00 42.92 40.34 3kul s ASP 878 CO 0.82 -0.97 2.00 0.08 0.52 0.00 0.00 175.17 177.62 3kul h ARG 879 N 9.02 0.29 0.00 4.34 0.11 -1.96 0.19 114.38 126.37 3kul h ARG 879 Ca -0.25 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 59.82 3kul h ARG 879 Cb 1.08 -0.06 0.00 0.00 1.11 0.00 0.00 29.97 32.10 3kul h ARG 879 CO 0.99 0.19 0.00 0.00 0.10 0.00 0.00 179.97 181.24 3kul h ALA 880 N 1.73 1.00 -0.00 0.08 0.00 -1.93 -2.60 119.26 117.54 3kul h ALA 880 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3kul h ALA 880 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3kul h ALA 880 CO -0.05 0.00 -0.48 1.04 0.00 0.00 0.00 179.25 179.75 3kul n GLN 881 N -2.46 0.30 -2.34 0.00 6.02 0.66 -4.90 117.38 114.66 3kul n GLN 881 Ca 0.01 -0.19 -0.39 0.00 -0.01 0.00 0.00 57.00 56.43 3kul n GLN 881 Cb 0.22 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 29.96 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 -2.83 4.22 0.72 -1.09 0.52 -0.98 -4.96 118.95 114.55 3kul s ARG 882 Ca 0.15 1.84 -0.15 0.00 -0.52 0.00 0.00 55.73 57.05 3kul s ARG 882 Cb 0.18 -2.82 0.04 0.00 0.52 0.00 0.00 34.95 32.87 3kul s ARG 882 CO 0.66 -0.17 1.19 -1.25 0.02 0.00 0.00 175.30 175.75 3kul s PRO 883 N -2.08 2.22 0.52 3.54 0.04 -1.26 -5.03 135.00 132.94 3kul s PRO 883 Ca 0.53 1.68 -0.04 0.00 0.04 0.00 0.00 61.00 63.22 3kul s PRO 883 Cb -0.31 -1.85 -0.01 0.00 0.04 0.00 0.00 34.50 32.37 3kul s PRO 883 CO 0.40 -1.76 0.81 1.03 0.04 0.00 0.00 177.00 177.52 3kul s ARG 884 N -3.97 3.18 0.33 4.56 0.52 -1.26 -4.90 118.95 117.41 3kul s ARG 884 Ca 0.73 -0.04 0.04 0.00 -0.52 0.00 0.00 55.73 55.94 3kul s ARG 884 Cb -0.27 -2.37 0.67 0.00 0.52 0.00 0.00 34.95 33.49 3kul s ARG 884 CO 0.45 -0.42 1.92 0.74 0.02 0.00 0.00 175.30 178.01 3kul h PHE 885 N 0.10 0.90 -1.00 -0.53 0.04 -1.94 -0.63 116.94 113.88 3kul h PHE 885 Ca -0.46 0.02 0.14 0.00 2.80 0.00 0.00 57.97 60.48 3kul h PHE 885 Cb 1.24 -0.29 -0.09 0.00 2.20 0.00 0.00 35.95 39.00 3kul h PHE 885 CO 0.51 0.44 0.62 1.03 -0.60 0.00 0.00 178.31 180.31 3kul h SER 886 N 0.86 0.87 0.14 2.17 0.87 -1.92 0.30 113.55 116.83 3kul h SER 886 Ca 0.38 0.07 -0.29 0.00 -1.23 0.00 0.00 61.79 60.71 3kul h SER 886 Cb 0.34 -0.10 0.03 0.00 -0.44 0.00 0.00 62.40 62.22 3kul h SER 886 CO -0.15 0.41 -1.20 -0.61 -0.53 0.00 0.00 176.83 174.75 3kul h GLN 887 N 0.91 0.61 -0.59 2.24 4.15 -1.54 -2.34 115.11 118.55 3kul h GLN 887 Ca 0.52 -0.79 0.06 0.00 0.77 0.00 0.00 58.65 59.21 3kul h GLN 887 Cb 0.63 0.26 -0.05 0.00 0.21 0.00 0.00 27.48 28.53 3kul h GLN 887 CO -0.31 1.35 0.31 0.82 -1.93 0.00 0.00 178.83 179.07 3kul h ILE 888 N 0.29 0.95 -0.36 2.39 2.04 -0.56 0.12 117.51 122.37 3kul h ILE 888 Ca -0.17 -0.20 -0.10 0.00 1.00 0.00 0.00 64.86 65.39 3kul h ILE 888 Cb 1.87 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 38.26 3kul h ILE 888 CO 0.23 0.11 -0.16 0.58 0.00 0.00 0.00 178.15 178.91 3kul h VAL 889 N 0.58 1.28 -0.35 1.67 2.07 -0.96 -1.17 116.25 119.38 3kul h VAL 889 Ca 0.27 -1.27 -0.09 0.00 0.82 0.00 0.00 66.70 66.43 3kul h VAL 889 Cb 0.18 1.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 3kul h VAL 889 CO -0.18 0.42 -0.14 0.77 0.02 0.00 0.00 177.57 178.46 3kul h SER 890 N 0.53 0.61 -0.10 0.57 4.64 -1.11 0.62 113.55 119.31 3kul h SER 890 Ca 0.08 -0.18 -0.01 0.00 -0.47 0.00 0.00 61.79 61.22 3kul h SER 890 Cb 0.69 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 62.62 3kul h SER 890 CO 0.05 0.77 0.03 0.58 -0.87 0.00 0.00 176.83 177.39 3kul h VAL 891 N 0.57 1.17 -0.63 0.95 2.07 -0.85 -1.20 116.25 118.33 3kul h VAL 891 Ca 0.10 -0.53 -0.03 0.00 0.82 0.00 0.00 66.70 67.06 3kul h VAL 891 Cb 0.56 1.35 -0.03 0.00 -1.52 0.00 0.00 31.29 31.65 3kul h VAL 891 CO 0.04 0.15 0.27 -0.07 0.02 0.00 0.00 177.57 177.98 3kul h LEU 892 N -0.03 0.82 -0.71 2.57 3.38 -0.92 -2.35 115.31 118.07 3kul h LEU 892 Ca 0.03 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 3kul h LEU 892 Cb 0.22 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 3kul h LEU 892 CO -0.00 0.71 0.38 0.44 0.09 0.00 0.00 178.44 180.06 3kul h ASP 893 N 0.89 0.89 -0.81 -0.43 3.32 -0.72 -1.26 116.42 118.31 3kul h ASP 893 Ca 0.22 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 3kul h ASP 893 Cb 0.13 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 39.42 3kul h ASP 893 CO -0.02 0.74 0.45 0.00 -1.72 0.00 0.00 179.24 178.69 3kul h ALA 894 N 1.19 1.26 0.00 3.45 0.00 -0.84 -1.14 119.26 123.17 3kul h ALA 894 Ca 0.25 -0.12 -0.14 0.00 0.00 0.00 0.00 54.91 54.90 3kul h ALA 894 Cb 0.06 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 3kul h ALA 894 CO -0.04 0.61 -0.67 -0.07 0.00 0.00 0.00 179.25 179.08 3kul h LEU 895 N 1.14 0.00 -0.89 0.00 3.38 -1.01 -1.20 115.31 116.74 3kul h LEU 895 Ca 0.29 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.15 3kul h LEU 895 Cb 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3kul h LEU 895 CO -0.05 0.67 -0.44 0.40 0.09 0.00 0.00 178.44 179.10 3kul h ILE 896 N 0.00 1.32 0.11 1.22 2.04 -0.99 -2.84 117.51 118.37 3kul h ILE 896 Ca -0.01 -1.60 -0.16 0.00 1.00 0.00 0.00 64.86 64.09 3kul h ILE 896 Cb 1.23 1.74 0.01 0.00 -0.74 0.00 0.00 36.82 39.07 3kul h ILE 896 CO 0.09 0.48 -0.74 -0.09 0.00 0.00 0.00 178.15 177.89 3kul h ARG 897 N 0.20 0.23 -3.14 2.37 2.43 -1.05 -3.40 114.38 112.02 3kul h ARG 897 Ca 0.01 -0.39 -0.62 0.00 -0.81 0.00 0.00 59.98 58.17 3kul h ARG 897 Cb 0.87 0.15 -0.40 0.00 -0.42 0.00 0.00 29.97 30.16 3kul h ARG 897 CO 0.07 1.19 -0.69 -1.12 -1.51 0.00 0.00 179.97 177.90 3kul s SER 898 N -6.83 3.92 0.35 -3.80 0.01 -0.47 -5.10 113.70 101.79 3kul s SER 898 Ca -0.16 -2.83 -0.29 0.00 1.31 0.00 0.00 55.95 53.99 3kul s SER 898 Cb 0.01 -1.29 -0.11 0.00 0.21 0.00 0.00 66.02 64.84 3kul s SER 898 CO 0.79 -0.24 1.49 -2.16 0.41 0.00 0.00 173.24 173.52 3kul s PRO 899 N 0.03 4.14 0.00 12.44 0.04 -1.07 -4.55 135.00 146.03 3kul s PRO 899 Ca 0.18 2.53 0.25 0.00 0.04 0.00 0.00 61.00 63.99 3kul s PRO 899 Cb -0.24 -2.99 0.38 0.00 0.04 0.00 0.00 34.50 31.69 3kul s PRO 899 CO -0.01 -0.51 1.37 -0.85 0.04 0.00 0.00 177.00 177.04