#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wok s SER 663 N 0.00 0.32 -0.28 4.39 1.04 -1.26 -4.24 113.70 113.67 1wok s SER 663 Ca 0.00 -0.75 0.01 0.00 0.48 0.00 0.00 55.95 55.70 1wok s SER 663 Cb 0.00 0.20 0.34 0.00 0.10 0.00 0.00 66.02 66.66 1wok s SER 663 CO 0.00 -0.53 1.65 1.17 0.98 0.00 0.00 173.24 176.51 1wok n LYS 664 N 0.55 1.76 -4.21 4.02 4.81 -1.26 -4.88 118.16 118.95 1wok n LYS 664 Ca -0.17 -1.71 -0.35 0.00 -0.87 0.00 0.00 58.31 55.20 1wok n LYS 664 Cb 0.59 -1.67 -0.08 0.00 0.02 0.00 0.00 35.03 33.89 1wok n LYS 664 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1wok s LEU 665 N -1.91 3.84 0.31 3.14 2.01 -1.26 -5.06 118.68 119.75 1wok s LEU 665 Ca 0.33 0.25 -0.28 0.00 0.01 0.00 0.00 54.13 54.43 1wok s LEU 665 Cb 0.27 -1.91 -0.13 0.00 0.01 0.00 0.00 46.19 44.42 1wok s LEU 665 CO 0.04 0.38 1.19 -2.65 1.01 0.00 0.00 176.35 176.32 1wok n PRO 666 N 2.05 1.78 -0.33 1.29 -0.02 -1.26 -4.75 135.00 133.76 1wok n PRO 666 Ca -0.19 0.62 -0.07 0.00 -2.02 0.00 0.00 63.50 61.85 1wok n PRO 666 Cb 0.54 -2.13 -0.03 0.00 -0.02 0.00 0.00 33.50 31.86 1wok n PRO 666 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1wok h LYS 667 N 2.51 -0.08 -0.61 -0.52 3.11 -1.97 -0.76 116.57 118.25 1wok h LYS 667 Ca -0.43 0.01 0.12 0.00 -2.81 0.00 0.00 60.65 57.53 1wok h LYS 667 Cb 1.31 0.02 -0.12 0.00 -1.00 0.00 0.00 32.23 32.44 1wok h LYS 667 CO 0.63 -0.06 -0.24 -1.35 -2.81 0.00 0.00 179.45 175.62 1wok h PRO 668 N -0.09 -0.08 -0.86 1.90 0.11 -2.00 0.19 132.00 131.17 1wok h PRO 668 Ca 0.23 0.01 0.13 0.00 0.11 0.00 0.00 66.00 66.48 1wok h PRO 668 Cb 0.53 0.02 -0.07 0.00 0.11 0.00 0.00 31.00 31.59 1wok h PRO 668 CO -0.86 -0.05 0.56 0.28 -0.21 0.00 0.00 178.00 177.71 1wok h VAL 669 N -0.08 0.86 -0.02 3.15 2.07 -1.49 -1.76 116.25 118.98 1wok h VAL 669 Ca 0.27 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 67.56 1wok h VAL 669 Cb 0.52 0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.40 1wok h VAL 669 CO -0.67 0.12 0.00 1.56 0.02 0.00 0.00 177.57 178.61 1wok h GLN 670 N 0.68 0.02 -0.11 1.57 4.20 -0.12 -2.76 115.11 118.60 1wok h GLN 670 Ca 0.42 -0.01 0.03 0.00 0.06 0.00 0.00 58.65 59.16 1wok h GLN 670 Cb 0.66 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.44 1wok h GLN 670 CO -0.18 0.24 0.11 -0.44 -0.67 0.00 0.00 178.83 177.88 1wok h ASP 671 N -0.19 0.00 0.01 1.46 5.19 -0.64 0.16 116.42 122.42 1wok h ASP 671 Ca 0.00 0.00 -0.17 0.00 -0.62 0.00 0.00 57.03 56.24 1wok h ASP 671 Cb 0.22 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.73 1wok h ASP 671 CO -0.00 0.00 -0.59 0.25 -3.12 0.00 0.00 179.24 175.78 1wok h LEU 672 N 0.00 0.66 -0.10 1.55 5.85 -1.18 -2.45 115.31 119.64 1wok h LEU 672 Ca 0.05 -0.37 -0.18 0.00 0.84 0.00 0.00 57.88 58.23 1wok h LEU 672 Cb 0.28 -0.19 0.01 0.00 0.37 0.00 0.00 40.66 41.13 1wok h LEU 672 CO -0.00 1.10 -0.64 0.40 -0.34 0.00 0.00 178.44 178.96 1wok h ILE 673 N 0.44 1.34 0.00 4.05 1.08 -0.69 -1.03 117.51 122.70 1wok h ILE 673 Ca -0.00 -1.93 0.00 0.00 -0.39 0.00 0.00 64.86 62.54 1wok h ILE 673 Cb 1.15 2.20 0.00 0.00 -3.07 0.00 0.00 36.82 37.10 1wok h ILE 673 CO 0.11 0.59 0.00 0.29 -0.69 0.00 0.00 178.15 178.45 1wok n LYS 674 N -4.12 0.10 -0.06 2.37 5.02 0.35 -1.53 118.16 120.29 1wok n LYS 674 Ca -0.08 0.43 -0.04 0.00 -2.02 0.00 0.00 58.31 56.59 1wok n LYS 674 Cb 0.67 -1.73 -0.01 0.00 -0.02 0.00 0.00 35.03 33.94 1wok n LYS 674 CO 0.00 0.00 0.00 1.98 -0.52 0.00 0.00 177.40 178.86 1wok h MET 675 N 0.00 0.00 -0.79 1.97 4.05 -1.08 -3.38 114.93 115.71 1wok h MET 675 Ca 0.00 0.00 0.01 0.00 -0.28 0.00 0.00 59.70 59.43 1wok h MET 675 Cb 0.21 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 30.97 1wok h MET 675 CO 0.00 0.00 0.52 -0.84 0.23 0.00 0.00 176.91 176.82 1wok h ILE 676 N -0.94 1.19 -0.82 1.77 3.07 -1.14 -3.03 117.51 117.62 1wok h ILE 676 Ca 0.00 -0.36 -0.42 0.00 1.55 0.00 0.00 64.86 65.62 1wok h ILE 676 Cb 0.43 0.04 -0.15 0.00 -0.27 0.00 0.00 36.82 36.87 1wok h ILE 676 CO 0.00 0.19 0.28 0.49 -1.05 0.00 0.00 178.15 178.06 1wok n PHE 677 N -4.54 1.34 -3.44 0.16 3.72 -0.58 -4.70 117.46 109.41 1wok n PHE 677 Ca 0.08 -1.87 -0.43 0.00 -0.05 0.00 0.00 57.45 55.17 1wok n PHE 677 Cb 0.02 -1.34 -0.09 0.00 -0.94 0.00 0.00 39.48 37.13 1wok n PHE 677 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1wok s ASP 678 N 0.58 6.07 -0.03 4.37 3.68 -1.15 -4.90 116.67 125.30 1wok s ASP 678 Ca 0.55 -1.21 -0.26 0.00 2.13 0.00 0.00 52.55 53.77 1wok s ASP 678 Cb 0.35 -2.15 -0.20 0.00 -1.45 0.00 0.00 42.92 39.46 1wok s ASP 678 CO -0.16 -0.57 1.25 0.58 0.13 0.00 0.00 175.17 176.40 1wok h VAL 679 N 5.75 1.39 -0.73 1.11 2.07 -1.92 -3.17 116.25 120.75 1wok h VAL 679 Ca -0.27 -1.18 0.12 0.00 0.82 0.00 0.00 66.70 66.19 1wok h VAL 679 Cb 1.11 2.19 -0.08 0.00 -1.52 0.00 0.00 31.29 32.98 1wok h VAL 679 CO 0.82 0.30 0.32 -0.08 0.02 0.00 0.00 177.57 178.95 1wok h GLU 680 N -0.51 0.49 0.00 1.57 4.81 -2.01 0.48 114.58 119.41 1wok h GLU 680 Ca -0.00 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1wok h GLU 680 Cb 0.50 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.77 1wok h GLU 680 CO 0.00 0.32 -0.01 0.66 -0.73 0.00 0.00 179.01 179.26 1wok h SER 681 N 0.51 0.00 0.19 1.04 4.64 -1.98 -2.57 113.55 115.37 1wok h SER 681 Ca 0.39 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.70 1wok h SER 681 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 1wok h SER 681 CO -0.35 0.01 -0.09 0.24 -0.87 0.00 0.00 176.83 175.77 1wok h MET 682 N 0.00 -0.25 -0.96 4.77 2.86 0.01 -2.83 114.93 118.54 1wok h MET 682 Ca -0.00 0.02 0.30 0.00 -2.06 0.00 0.00 59.70 57.96 1wok h MET 682 Cb 0.06 0.06 -0.16 0.00 0.06 0.00 0.00 31.60 31.62 1wok h MET 682 CO 0.00 -0.17 0.37 0.87 1.06 0.00 0.00 176.91 179.04 1wok h LYS 683 N -0.32 0.17 -0.63 1.72 1.57 -1.41 0.60 116.57 118.27 1wok h LYS 683 Ca -0.03 -0.01 0.13 0.00 -1.87 0.00 0.00 60.65 58.87 1wok h LYS 683 Cb 0.20 -0.04 -0.10 0.00 0.08 0.00 0.00 32.23 32.37 1wok h LYS 683 CO 0.04 0.11 0.04 0.87 -0.57 0.00 0.00 179.45 179.95 1wok h LYS 684 N 0.18 0.15 0.00 3.15 1.79 -1.41 0.38 116.57 120.81 1wok h LYS 684 Ca 0.67 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 59.13 1wok h LYS 684 Cb 1.51 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 32.13 1wok h LYS 684 CO -0.70 0.10 0.00 0.00 -1.08 0.00 0.00 179.45 177.77 1wok n ALA 685 N -2.75 -0.34 -0.30 3.86 0.00 0.21 -1.42 120.51 119.77 1wok n ALA 685 Ca 0.10 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.62 1wok n ALA 685 Cb 0.36 0.15 0.18 0.00 0.00 0.00 0.00 19.45 20.14 1wok n ALA 685 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1wok n MET 686 N -2.26 -0.07 0.11 0.00 2.81 -0.93 0.45 117.12 117.23 1wok n MET 686 Ca 0.00 1.30 -0.14 0.00 -1.81 0.00 0.00 57.70 57.05 1wok n MET 686 Cb 0.00 -2.00 -0.07 0.00 -0.71 0.00 0.00 33.22 30.44 1wok n MET 686 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1wok h VAL 687 N 0.00 0.16 -0.37 2.03 2.07 -0.51 0.59 116.25 120.22 1wok h VAL 687 Ca 0.46 0.00 0.11 0.00 0.82 0.00 0.00 66.70 68.09 1wok h VAL 687 Cb 0.83 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 1wok h VAL 687 CO -0.84 0.00 0.60 -0.33 0.02 0.00 0.00 177.57 177.02 1wok h GLU 688 N -0.64 0.00 -0.00 1.57 5.08 0.12 1.43 114.58 122.15 1wok h GLU 688 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1wok h GLU 688 Cb 0.67 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.92 1wok h GLU 688 CO -0.25 0.00 -0.21 0.66 -1.00 0.00 0.00 179.01 178.21 1wok n TYR 689 N -3.30 0.00 -1.36 4.33 4.01 0.17 -4.93 117.16 116.08 1wok n TYR 689 Ca 0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.81 1wok n TYR 689 Cb 0.75 -0.37 0.00 0.00 -0.31 0.00 0.00 39.34 39.41 1wok n TYR 689 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1wok n GLU 690 N -1.44 0.00 -1.94 -0.72 1.02 0.49 -5.01 120.64 113.04 1wok n GLU 690 Ca 0.07 0.29 -0.32 0.00 -0.02 0.00 0.00 57.16 57.18 1wok n GLU 690 Cb 0.33 -3.68 0.01 0.00 -0.02 0.00 0.00 31.44 28.08 1wok n GLU 690 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1wok s ILE 691 N -2.00 4.22 -0.81 -3.67 -1.09 -1.11 -0.67 121.20 116.07 1wok s ILE 691 Ca 0.00 0.88 -0.13 0.00 -2.23 0.00 0.00 60.65 59.17 1wok s ILE 691 Cb 0.00 -3.56 0.21 0.00 -1.58 0.00 0.00 42.46 37.53 1wok s ILE 691 CO 0.00 -0.79 0.74 -0.62 -1.23 0.00 0.00 174.94 173.04 1wok s ASP 692 N -3.45 6.63 0.40 3.58 -1.08 -1.18 -4.35 116.67 117.22 1wok s ASP 692 Ca 0.59 -2.69 0.16 0.00 -0.52 0.00 0.00 52.55 50.08 1wok s ASP 692 Cb -0.13 -2.18 1.02 0.00 -1.46 0.00 0.00 42.92 40.17 1wok s ASP 692 CO 0.45 -0.56 1.84 -0.07 0.52 0.00 0.00 175.17 177.35 1wok h LEU 693 N 7.73 0.48 0.00 -1.34 3.38 -1.93 1.65 115.31 125.27 1wok h LEU 693 Ca 0.09 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1wok h LEU 693 Cb 1.03 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.75 1wok h LEU 693 CO 0.75 0.18 0.00 0.00 0.09 0.00 0.00 178.44 179.47 1wok n GLN 694 N -4.56 0.68 0.00 1.13 1.13 -1.26 -0.19 117.38 114.31 1wok n GLN 694 Ca 0.20 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.26 1wok n GLN 694 Cb 0.69 -1.22 0.00 0.00 0.11 0.00 0.00 30.24 29.81 1wok n GLN 694 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1wok n LYS 695 N -0.72 1.09 -3.24 -1.09 4.76 0.63 -4.89 118.16 114.70 1wok n LYS 695 Ca 0.07 0.00 -0.25 0.00 -2.87 0.00 0.00 58.31 55.26 1wok n LYS 695 Cb 0.03 -0.56 -0.06 0.00 -1.84 0.00 0.00 35.03 32.60 1wok n LYS 695 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 1wok n MET 696 N -0.61 2.02 -1.72 1.97 2.81 0.53 -4.98 117.12 117.14 1wok n MET 696 Ca 0.00 -4.18 -0.38 0.00 -1.81 0.00 0.00 57.70 51.33 1wok n MET 696 Cb 0.05 -1.92 0.06 0.00 -0.71 0.00 0.00 33.22 30.70 1wok n MET 696 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 1wok n PRO 697 N 0.70 1.26 -0.23 0.03 -0.04 0.73 -4.17 135.00 133.27 1wok n PRO 697 Ca 0.27 0.48 0.03 0.00 -0.04 0.00 0.00 63.50 64.24 1wok n PRO 697 Cb 0.47 -2.49 0.12 0.00 -0.04 0.00 0.00 33.50 31.56 1wok n PRO 697 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1wok h LEU 698 N 0.80 -0.39 0.00 1.53 6.46 -1.97 0.64 115.31 122.38 1wok h LEU 698 Ca -0.51 0.18 0.00 0.00 -0.12 0.00 0.00 57.88 57.44 1wok h LEU 698 Cb 1.33 0.34 0.00 0.00 -0.73 0.00 0.00 40.66 41.60 1wok h LEU 698 CO 0.54 -0.17 0.00 0.61 -0.62 0.00 0.00 178.44 178.80 1wok n GLY 699 N -1.41 -0.13 0.66 3.75 0.00 -1.26 -1.89 105.19 104.92 1wok n GLY 699 Ca 0.11 -0.02 0.09 0.00 0.00 0.00 0.00 46.02 46.20 1wok n GLY 699 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1wok n LYS 700 N -0.99 1.60 -1.39 1.61 3.00 0.22 -5.01 118.16 117.20 1wok n LYS 700 Ca 0.03 -1.42 -0.33 0.00 -0.00 0.00 0.00 58.31 56.58 1wok n LYS 700 Cb 0.01 -1.35 0.09 0.00 0.00 0.00 0.00 35.03 33.79 1wok n LYS 700 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1wok s LEU 701 N -1.71 3.24 -0.12 3.14 1.43 -0.79 -4.96 118.68 118.91 1wok s LEU 701 Ca 0.20 2.20 -0.25 0.00 -1.03 0.00 0.00 54.13 55.25 1wok s LEU 701 Cb 0.15 -4.57 0.06 0.00 0.03 0.00 0.00 46.19 41.86 1wok s LEU 701 CO 0.29 -2.21 0.60 -0.94 0.23 0.00 0.00 176.35 174.32 1wok s SER 702 N -2.37 -0.59 0.22 2.29 1.04 -1.26 -5.06 113.70 107.97 1wok s SER 702 Ca 0.70 0.84 -0.05 0.00 0.48 0.00 0.00 55.95 57.92 1wok s SER 702 Cb -0.25 0.80 0.20 0.00 0.10 0.00 0.00 66.02 66.87 1wok s SER 702 CO 0.47 -0.43 1.70 0.50 0.98 0.00 0.00 173.24 176.46 1wok h LYS 703 N 3.98 0.92 0.00 4.02 3.64 -1.96 -2.79 116.57 124.38 1wok h LYS 703 Ca -0.28 -0.28 -0.12 0.00 -1.27 0.00 0.00 60.65 58.70 1wok h LYS 703 Cb 1.16 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.87 1wok h LYS 703 CO 0.28 0.92 -0.58 0.00 -2.27 0.00 0.00 179.45 177.80 1wok h ARG 704 N 0.85 0.00 0.64 1.90 -0.00 -1.97 0.63 114.38 116.43 1wok h ARG 704 Ca 0.16 0.00 -0.03 0.00 -0.50 0.00 0.00 59.98 59.60 1wok h ARG 704 Cb 0.52 0.00 0.01 0.00 0.00 0.00 0.00 29.97 30.50 1wok h ARG 704 CO 0.03 0.58 -0.31 0.37 0.00 0.00 0.00 179.97 180.64 1wok h GLN 705 N 0.00 -0.82 -0.80 0.04 4.15 -1.96 0.37 115.11 116.09 1wok h GLN 705 Ca -0.01 0.06 0.09 0.00 0.77 0.00 0.00 58.65 59.56 1wok h GLN 705 Cb 1.06 0.19 -0.07 0.00 0.21 0.00 0.00 27.48 28.87 1wok h GLN 705 CO 0.08 -0.55 0.45 0.82 -1.93 0.00 0.00 178.83 177.70 1wok h ILE 706 N -0.98 0.91 0.10 2.39 2.04 -1.50 0.28 117.51 120.75 1wok h ILE 706 Ca -0.09 -0.26 -0.00 0.00 1.00 0.00 0.00 64.86 65.51 1wok h ILE 706 Cb 0.65 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.81 1wok h ILE 706 CO 0.14 0.14 -0.05 1.56 0.00 0.00 0.00 178.15 179.95 1wok h GLN 707 N 0.76 -0.12 -0.01 2.37 4.20 -0.80 0.22 115.11 121.74 1wok h GLN 707 Ca 0.38 0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.10 1wok h GLN 707 Cb 0.34 0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.15 1wok h GLN 707 CO -0.24 -0.06 0.01 0.00 -0.67 0.00 0.00 178.83 177.87 1wok h ALA 708 N 0.75 1.77 -0.24 3.87 0.00 0.68 0.26 119.26 126.35 1wok h ALA 708 Ca -0.01 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 1wok h ALA 708 Cb 0.12 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1wok h ALA 708 CO 0.02 -0.01 -0.43 0.00 0.00 0.00 0.00 179.25 178.83 1wok h ALA 709 N 1.99 0.80 -0.44 0.00 0.00 1.00 -3.11 119.26 119.50 1wok h ALA 709 Ca 0.00 -0.46 0.05 0.00 0.00 0.00 0.00 54.91 54.51 1wok h ALA 709 Cb 0.02 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.66 1wok h ALA 709 CO -0.00 0.66 0.17 1.88 0.00 0.00 0.00 179.25 181.96 1wok h TYR 710 N 0.48 0.31 -0.23 0.00 0.05 0.27 -2.42 116.97 115.42 1wok h TYR 710 Ca 0.04 0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.81 1wok h TYR 710 Cb 0.95 -0.07 -0.01 0.00 1.01 0.00 0.00 36.73 38.60 1wok h TYR 710 CO 0.04 0.13 0.04 0.66 -1.05 0.00 0.00 178.16 177.98 1wok h SER 711 N 0.35 0.30 0.08 3.88 4.64 -1.27 -1.45 113.55 120.09 1wok h SER 711 Ca 0.20 -0.03 -0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1wok h SER 711 Cb 0.18 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1wok h SER 711 CO -0.19 0.33 -0.04 0.40 -0.87 0.00 0.00 176.83 176.46 1wok h ILE 712 N 0.33 0.96 -0.69 0.95 1.08 -1.41 0.76 117.51 119.49 1wok h ILE 712 Ca 0.08 -0.14 0.07 0.00 -0.39 0.00 0.00 64.86 64.48 1wok h ILE 712 Cb 0.16 1.05 -0.06 0.00 -3.07 0.00 0.00 36.82 34.90 1wok h ILE 712 CO -0.00 0.03 0.37 -0.07 -0.69 0.00 0.00 178.15 177.80 1wok h LEU 713 N -0.17 0.53 -0.71 1.44 -0.00 -1.31 0.27 115.31 115.37 1wok h LEU 713 Ca -0.01 0.04 -0.01 0.00 -0.00 0.00 0.00 57.88 57.89 1wok h LEU 713 Cb 0.14 -0.06 -0.03 0.00 -0.00 0.00 0.00 40.66 40.70 1wok h LEU 713 CO 0.02 0.33 0.39 0.28 -0.00 0.00 0.00 178.44 179.46 1wok h SER 714 N 0.67 0.89 0.33 -0.43 0.02 -0.69 -2.05 113.55 112.28 1wok h SER 714 Ca 0.32 -0.10 -0.04 0.00 -0.84 0.00 0.00 61.79 61.13 1wok h SER 714 Cb 0.25 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.56 1wok h SER 714 CO -0.21 0.73 -0.19 -0.08 -1.14 0.00 0.00 176.83 175.94 1wok h GLU 715 N 0.97 0.00 -0.34 3.45 4.81 0.21 -1.87 114.58 121.81 1wok h GLU 715 Ca 0.25 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 59.31 1wok h GLU 715 Cb 0.04 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.42 1wok h GLU 715 CO -0.04 0.19 -0.46 0.28 -0.73 0.00 0.00 179.01 178.24 1wok h VAL 716 N 0.00 1.27 0.00 0.32 2.07 -0.34 -3.25 116.25 116.32 1wok h VAL 716 Ca -0.00 -1.64 0.00 0.00 0.82 0.00 0.00 66.70 65.88 1wok h VAL 716 Cb 0.40 1.51 0.00 0.00 -1.52 0.00 0.00 31.29 31.68 1wok h VAL 716 CO 0.02 0.54 0.00 1.67 0.02 0.00 0.00 177.57 179.83 1wok n GLN 717 N -4.04 0.00 -0.18 1.57 7.27 -0.73 0.27 117.38 121.53 1wok n GLN 717 Ca -0.03 0.56 0.00 0.00 0.07 0.00 0.00 57.00 57.60 1wok n GLN 717 Cb 0.59 -1.43 0.00 0.00 2.41 0.00 0.00 30.24 31.81 1wok n GLN 717 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 1wok n GLN 718 N -2.04 0.36 0.08 3.69 6.02 -1.03 -2.99 117.38 121.47 1wok n GLN 718 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1wok n GLN 718 Cb 0.00 -1.32 0.00 0.00 1.02 0.00 0.00 30.24 29.94 1wok n GLN 718 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1wok n ALA 719 N 1.82 0.79 -0.16 -1.58 0.00 -0.89 -4.85 120.51 115.64 1wok n ALA 719 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 1wok n ALA 719 Cb 0.18 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.58 1wok n ALA 719 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1wok h VAL 720 N 0.00 0.00 0.00 0.00 3.04 0.38 -2.08 116.25 117.59 1wok h VAL 720 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1wok h VAL 720 Cb 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 31.29 29.28 1wok h VAL 720 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.57 177.33 1wok h SER 721 N -0.04 0.00 -0.10 3.17 4.64 -1.75 -2.99 113.55 116.48 1wok h SER 721 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1wok h SER 721 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 1wok h SER 721 CO -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.58 1wok n GLN 722 N -2.98 1.38 -0.22 4.77 1.13 -0.80 -4.93 117.38 115.72 1wok n GLN 722 Ca 0.03 -0.42 0.00 0.00 -1.94 0.00 0.00 57.00 54.67 1wok n GLN 722 Cb 0.42 -1.29 0.00 0.00 0.11 0.00 0.00 30.24 29.47 1wok n GLN 722 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1wok n GLY 723 N 0.44 -2.36 0.00 1.08 0.00 -1.07 -4.95 105.19 98.33 1wok n GLY 723 Ca 0.04 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.10 1wok n GLY 723 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wok n SER 724 N -0.17 0.24 -3.87 1.61 7.64 -1.25 -4.74 113.62 113.08 1wok n SER 724 Ca 0.00 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.75 1wok n SER 724 Cb 0.00 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.06 1wok n SER 724 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wok s SER 725 N 1.00 0.06 0.29 6.43 1.04 -1.26 -5.03 113.70 116.22 1wok s SER 725 Ca 0.00 -0.00 0.02 0.00 0.48 0.00 0.00 55.95 56.45 1wok s SER 725 Cb 0.00 -0.01 0.71 0.00 0.10 0.00 0.00 66.02 66.82 1wok s SER 725 CO 0.00 -0.01 1.66 0.44 0.98 0.00 0.00 173.24 176.31 1wok h ASP 726 N 6.24 0.08 -0.64 7.02 3.32 -2.02 0.12 116.42 130.54 1wok h ASP 726 Ca -0.26 0.19 0.13 0.00 0.02 0.00 0.00 57.03 57.10 1wok h ASP 726 Cb 1.20 0.24 -0.09 0.00 0.22 0.00 0.00 39.33 40.89 1wok h ASP 726 CO 0.51 -0.12 0.14 0.77 -1.72 0.00 0.00 179.24 178.81 1wok h SER 727 N 0.25 -0.00 0.59 6.45 4.64 -1.98 0.59 113.55 124.09 1wok h SER 727 Ca 0.55 0.12 -0.03 0.00 -0.47 0.00 0.00 61.79 61.97 1wok h SER 727 Cb 1.11 0.17 0.01 0.00 -0.31 0.00 0.00 62.40 63.37 1wok h SER 727 CO -0.62 -0.00 -0.28 1.56 -0.87 0.00 0.00 176.83 176.61 1wok h GLN 728 N 0.26 -0.76 -0.88 4.77 4.20 -1.17 0.49 115.11 122.03 1wok h GLN 728 Ca 0.35 0.05 0.18 0.00 0.06 0.00 0.00 58.65 59.29 1wok h GLN 728 Cb 0.54 0.17 -0.11 0.00 0.30 0.00 0.00 27.48 28.38 1wok h GLN 728 CO -0.44 -0.51 0.43 0.82 -0.67 0.00 0.00 178.83 178.46 1wok h ILE 729 N -0.82 0.61 0.15 2.54 5.03 -1.39 0.84 117.51 124.46 1wok h ILE 729 Ca -0.08 -0.18 -0.01 0.00 -0.12 0.00 0.00 64.86 64.47 1wok h ILE 729 Cb 0.60 0.04 0.00 0.00 -3.03 0.00 0.00 36.82 34.43 1wok h ILE 729 CO 0.13 0.10 -0.07 0.25 -0.68 0.00 0.00 178.15 177.88 1wok h LEU 730 N 0.52 -0.17 0.71 1.44 7.12 -0.76 0.13 115.31 124.32 1wok h LEU 730 Ca 0.51 -0.00 -0.03 0.00 0.13 0.00 0.00 57.88 58.49 1wok h LEU 730 Cb 0.86 0.04 0.01 0.00 -0.53 0.00 0.00 40.66 41.04 1wok h LEU 730 CO -0.44 -0.11 -0.36 -0.78 -0.13 0.00 0.00 178.44 176.62 1wok h ASP 731 N -0.20 -0.86 -0.77 1.25 -0.00 0.31 -1.87 116.42 114.27 1wok h ASP 731 Ca -0.02 0.03 0.08 0.00 -0.00 0.00 0.00 57.03 57.12 1wok h ASP 731 Cb 0.16 0.23 -0.05 0.00 -0.00 0.00 0.00 39.33 39.67 1wok h ASP 731 CO 0.03 -0.60 0.51 -0.07 -0.00 0.00 0.00 179.24 179.11 1wok h LEU 732 N -0.98 0.69 -1.18 2.28 3.38 0.53 0.93 115.31 120.96 1wok h LEU 732 Ca -0.10 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.81 1wok h LEU 732 Cb 0.76 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 1wok h LEU 732 CO 0.15 0.43 -0.26 0.28 0.09 0.00 0.00 178.44 179.13 1wok h SER 733 N 0.78 0.24 0.38 -0.43 0.02 -0.82 -1.60 113.55 112.12 1wok h SER 733 Ca 0.34 -0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 61.20 1wok h SER 733 Cb 0.33 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.81 1wok h SER 733 CO -0.12 0.50 -0.18 0.78 -1.14 0.00 0.00 176.83 176.67 1wok h ASN 734 N 0.22 -0.43 -0.98 3.07 -0.26 -0.06 -1.89 115.58 115.25 1wok h ASN 734 Ca 0.03 0.01 0.33 0.00 -0.56 0.00 0.00 56.30 56.12 1wok h ASN 734 Cb 0.58 0.11 -0.18 0.00 -1.06 0.00 0.00 38.32 37.77 1wok h ASN 734 CO 0.04 -0.11 0.24 0.54 -1.06 0.00 0.00 177.43 177.08 1wok n ARG 735 N -4.48 -0.07 0.26 0.81 1.74 -0.03 -0.78 116.66 114.11 1wok n ARG 735 Ca -0.06 1.42 -0.15 0.00 -0.77 0.00 0.00 57.85 58.28 1wok n ARG 735 Cb 0.20 -2.37 -0.08 0.00 -1.02 0.00 0.00 32.46 29.19 1wok n ARG 735 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 1wok h PHE 736 N 0.00 -0.61 0.00 -1.55 3.57 -1.24 -2.59 116.94 114.52 1wok h PHE 736 Ca 0.70 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 62.17 1wok h PHE 736 Cb 1.64 0.20 -0.00 0.00 2.79 0.00 0.00 35.95 40.58 1wok h PHE 736 CO -0.29 -0.31 -0.04 1.88 -2.23 0.00 0.00 178.31 177.33 1wok h TYR 737 N -0.82 0.00 0.18 0.41 0.05 -0.10 -0.81 116.97 115.87 1wok h TYR 737 Ca -0.07 0.00 -0.30 0.00 0.05 0.00 0.00 58.73 58.42 1wok h TYR 737 Cb 0.57 0.00 0.02 0.00 1.01 0.00 0.00 36.73 38.33 1wok h TYR 737 CO -0.01 0.04 -1.41 0.00 -1.05 0.00 0.00 178.16 175.73 1wok h THR 738 N 0.00 1.16 -0.83 -2.88 1.03 -1.29 -3.24 112.91 106.86 1wok h THR 738 Ca -0.00 -2.53 -0.00 0.00 -0.01 0.00 0.00 66.41 63.87 1wok h THR 738 Cb 0.21 2.91 -0.04 0.00 -1.07 0.00 0.00 68.15 70.16 1wok h THR 738 CO 0.00 0.78 0.51 0.25 -0.01 0.00 0.00 175.52 177.05 1wok h LEU 739 N -0.09 0.99 -7.19 0.00 5.85 -1.07 -3.35 115.31 110.44 1wok h LEU 739 Ca -0.27 -0.05 -0.60 0.00 0.84 0.00 0.00 57.88 57.79 1wok h LEU 739 Cb 1.94 -0.25 -0.40 0.00 0.37 0.00 0.00 40.66 42.32 1wok h LEU 739 CO 0.16 0.75 -0.74 -0.63 -0.34 0.00 0.00 178.44 177.64 1wok s ILE 740 N -5.87 1.26 0.47 4.05 1.01 -0.34 -5.03 121.20 116.74 1wok s ILE 740 Ca -0.12 -1.89 -0.22 0.00 0.00 0.00 0.00 60.65 58.43 1wok s ILE 740 Cb 0.17 -1.93 -0.10 0.00 0.01 0.00 0.00 42.46 40.62 1wok s ILE 740 CO 0.80 -0.73 0.77 -2.65 0.00 0.00 0.00 174.94 173.13 1wok n PRO 741 N 4.38 0.89 -3.85 2.79 -0.02 -1.22 -4.47 135.00 133.50 1wok n PRO 741 Ca 0.02 0.33 -0.12 0.00 -2.02 0.00 0.00 63.50 61.71 1wok n PRO 741 Cb 0.40 -1.82 -0.11 0.00 -0.02 0.00 0.00 33.50 31.95 1wok n PRO 741 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 1wok s HIS 742 N -1.44 -0.05 -0.25 6.00 3.76 -1.26 -3.08 115.29 118.97 1wok s HIS 742 Ca 0.66 0.11 0.03 0.00 -0.15 0.00 0.00 55.06 55.71 1wok s HIS 742 Cb -0.54 -0.00 0.06 0.00 1.11 0.00 0.00 32.58 33.20 1wok s HIS 742 CO 0.56 -0.18 -0.12 0.34 -0.85 0.00 0.00 174.74 174.49 1wok s ASP 743 N -0.67 4.34 0.00 1.40 3.68 0.16 -4.70 116.67 120.87 1wok s ASP 743 Ca -0.08 -1.34 0.10 0.00 2.13 0.00 0.00 52.55 53.36 1wok s ASP 743 Cb -0.05 -1.54 -0.08 0.00 -1.45 0.00 0.00 42.92 39.81 1wok s ASP 743 CO 0.01 -0.18 0.46 0.49 0.13 0.00 0.00 175.17 176.08 1wok n PHE 744 N 4.45 0.00 -4.38 -5.34 3.72 -1.26 -4.77 117.46 109.88 1wok n PHE 744 Ca -0.14 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.26 1wok n PHE 744 Cb 0.43 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.97 1wok n PHE 744 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1wok n GLY 745 N 1.13 -0.50 3.04 1.37 0.00 -1.26 -4.01 105.19 104.96 1wok n GLY 745 Ca 0.02 -1.11 -0.43 0.00 0.00 0.00 0.00 46.02 44.51 1wok n GLY 745 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1wok n MET 746 N 0.00 1.71 -3.20 1.61 2.81 -1.26 -4.66 117.12 114.13 1wok n MET 746 Ca 0.00 -1.96 0.01 0.00 -1.81 0.00 0.00 57.70 53.94 1wok n MET 746 Cb 0.00 -2.97 -0.02 0.00 -0.71 0.00 0.00 33.22 29.51 1wok n MET 746 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 1wok s LYS 747 N 4.72 0.52 -0.43 0.03 2.20 -1.26 -5.11 119.74 120.40 1wok s LYS 747 Ca 0.56 0.72 -0.42 0.00 -0.36 0.00 0.00 55.97 56.47 1wok s LYS 747 Cb 0.14 0.22 -0.17 0.00 -1.51 0.00 0.00 37.83 36.51 1wok s LYS 747 CO 0.09 -0.78 1.98 1.63 -0.36 0.00 0.00 175.35 177.90 1wok n LYS 748 N 5.41 0.40 -1.60 4.03 4.76 -1.26 -4.83 118.16 125.07 1wok n LYS 748 Ca 0.00 0.13 -0.44 0.00 -2.87 0.00 0.00 58.31 55.13 1wok n LYS 748 Cb 0.51 -1.79 -0.01 0.00 -1.84 0.00 0.00 35.03 31.91 1wok n LYS 748 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 1wok n PRO 749 N 6.59 1.39 -1.77 1.97 -0.02 -1.26 -4.93 135.00 136.96 1wok n PRO 749 Ca 0.43 0.49 -0.41 0.00 -2.02 0.00 0.00 63.50 61.99 1wok n PRO 749 Cb 0.04 -1.91 -0.00 0.00 -0.02 0.00 0.00 33.50 31.60 1wok n PRO 749 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1wok n PRO 750 N 0.58 2.65 -3.58 0.52 -0.04 -1.26 -5.01 135.00 128.86 1wok n PRO 750 Ca 0.09 0.93 -0.36 0.00 -0.04 0.00 0.00 63.50 64.12 1wok n PRO 750 Cb 0.34 -2.65 -0.08 0.00 -0.04 0.00 0.00 33.50 31.07 1wok n PRO 750 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1wok s LEU 751 N -1.98 4.20 -0.69 1.53 2.96 -1.26 -5.03 118.68 118.40 1wok s LEU 751 Ca 0.53 0.37 -0.26 0.00 -0.22 0.00 0.00 54.13 54.55 1wok s LEU 751 Cb -0.48 -2.28 -0.01 0.00 0.50 0.00 0.00 46.19 43.92 1wok s LEU 751 CO 0.64 0.08 1.75 -0.76 -1.32 0.00 0.00 176.35 176.74 1wok s LEU 752 N 0.70 3.26 0.00 -0.68 1.43 -1.26 -4.51 118.68 117.61 1wok s LEU 752 Ca 0.13 -0.00 0.00 0.00 -1.03 0.00 0.00 54.13 53.23 1wok s LEU 752 Cb -0.13 -2.54 0.00 0.00 0.03 0.00 0.00 46.19 43.55 1wok s LEU 752 CO 0.03 -2.29 0.16 -0.46 0.23 0.00 0.00 176.35 174.02 1wok n ASN 753 N 12.15 -0.14 -0.11 2.29 0.23 -1.26 -4.93 115.26 123.49 1wok n ASN 753 Ca 0.20 -0.32 0.01 0.00 -0.53 0.00 0.00 54.58 53.94 1wok n ASN 753 Cb 0.51 0.04 0.03 0.00 -2.08 0.00 0.00 39.78 38.27 1wok n ASN 753 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1wok n ASN 754 N 0.00 2.12 0.00 0.53 3.02 -1.26 -4.99 115.26 114.68 1wok n ASN 754 Ca -0.04 -1.97 0.00 0.00 -0.03 0.00 0.00 54.58 52.54 1wok n ASN 754 Cb 0.27 -0.04 0.00 0.00 -0.61 0.00 0.00 39.78 39.40 1wok n ASN 754 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wok n ALA 755 N -0.32 0.00 0.20 5.41 0.00 -1.26 -3.62 120.51 120.92 1wok n ALA 755 Ca 0.02 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.50 1wok n ALA 755 Cb 0.27 0.00 0.43 0.00 0.00 0.00 0.00 19.45 20.15 1wok n ALA 755 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1wok h ASP 756 N 0.00 0.00 0.23 0.00 3.32 -1.98 0.18 116.42 118.17 1wok h ASP 756 Ca 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1wok h ASP 756 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1wok h ASP 756 CO 0.00 0.28 -0.11 0.77 -1.72 0.00 0.00 179.24 178.46 1wok h SER 757 N 0.00 -0.26 0.31 6.45 4.64 -1.96 -3.01 113.55 119.72 1wok h SER 757 Ca -0.00 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 1wok h SER 757 Cb 0.51 0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 1wok h SER 757 CO 0.04 0.23 0.00 1.33 -0.87 0.00 0.00 176.83 177.56 1wok n VAL 758 N -4.98 1.22 0.12 0.95 0.24 -1.18 -2.22 118.33 112.48 1wok n VAL 758 Ca -0.05 0.43 -0.20 0.00 -2.04 0.00 0.00 64.34 62.48 1wok n VAL 758 Cb 0.17 -1.35 -0.14 0.00 -1.47 0.00 0.00 33.84 31.05 1wok n VAL 758 CO 0.00 0.00 0.00 -0.61 -2.14 0.00 0.00 176.83 174.08 1wok h GLN 759 N 0.00 0.42 -0.28 7.34 5.75 -0.65 -3.28 115.11 124.40 1wok h GLN 759 Ca 0.00 -0.69 -0.07 0.00 -0.15 0.00 0.00 58.65 57.74 1wok h GLN 759 Cb 0.15 0.25 -0.02 0.00 1.07 0.00 0.00 27.48 28.94 1wok h GLN 759 CO 0.00 1.33 -0.13 0.00 -2.65 0.00 0.00 178.83 177.38 1wok h ALA 760 N 0.38 1.25 -0.02 3.38 0.00 -1.31 -1.26 119.26 121.69 1wok h ALA 760 Ca -0.19 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.45 1wok h ALA 760 Cb 2.05 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.71 1wok h ALA 760 CO 0.24 0.49 0.01 0.87 0.00 0.00 0.00 179.25 180.86 1wok h LYS 761 N 0.45 0.00 -0.11 0.00 1.79 -1.62 1.24 116.57 118.32 1wok h LYS 761 Ca 0.08 0.00 -0.21 0.00 -2.18 0.00 0.00 60.65 58.35 1wok h LYS 761 Cb 0.49 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.16 1wok h LYS 761 CO 0.03 0.00 -0.74 0.28 -1.08 0.00 0.00 179.45 177.94 1wok h VAL 762 N 0.00 1.31 -0.00 0.50 2.07 -1.31 0.40 116.25 119.22 1wok h VAL 762 Ca 0.01 -1.98 -0.10 0.00 0.82 0.00 0.00 66.70 65.44 1wok h VAL 762 Cb 0.03 2.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.93 1wok h VAL 762 CO -0.00 0.62 -0.49 -0.33 0.02 0.00 0.00 177.57 177.38 1wok h GLU 763 N 0.37 0.00 0.35 1.57 4.39 -0.45 -2.39 114.58 118.42 1wok h GLU 763 Ca -0.06 -0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.62 1wok h GLU 763 Cb 1.38 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.04 1wok h GLU 763 CO 0.15 0.50 -0.17 1.98 -1.16 0.00 0.00 179.01 180.31 1wok h MET 764 N 0.00 -0.45 -0.92 2.33 4.05 0.17 -3.14 114.93 116.97 1wok h MET 764 Ca -0.00 0.03 0.10 0.00 -0.28 0.00 0.00 59.70 59.54 1wok h MET 764 Cb 0.87 0.10 -0.08 0.00 -0.80 0.00 0.00 31.60 31.70 1wok h MET 764 CO 0.06 -0.14 0.57 -0.07 0.23 0.00 0.00 176.91 177.56 1wok h LEU 765 N -0.97 0.84 0.56 3.39 3.38 -0.18 -2.23 115.31 120.09 1wok h LEU 765 Ca -0.05 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1wok h LEU 765 Cb 0.51 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 1wok h LEU 765 CO 0.08 0.48 -0.50 0.44 0.09 0.00 0.00 178.44 179.03 1wok h ASP 766 N 0.94 -1.34 -0.96 -0.43 3.45 -1.49 -0.37 116.42 116.22 1wok h ASP 766 Ca 0.44 0.10 0.25 0.00 0.43 0.00 0.00 57.03 58.25 1wok h ASP 766 Cb 0.37 0.43 -0.06 0.00 -0.56 0.00 0.00 39.33 39.51 1wok h ASP 766 CO -0.24 -0.68 0.66 0.78 -1.57 0.00 0.00 179.24 178.19 1wok h ASN 767 N -1.04 0.24 -0.24 6.45 4.21 -1.44 -1.80 115.58 121.95 1wok h ASN 767 Ca -0.07 0.03 -0.11 0.00 1.21 0.00 0.00 56.30 57.37 1wok h ASN 767 Cb 0.89 -0.01 -0.00 0.00 -1.12 0.00 0.00 38.32 38.08 1wok h ASN 767 CO -0.03 0.07 -0.27 -0.07 -1.29 0.00 0.00 177.43 175.84 1wok h LEU 768 N 0.23 0.66 -2.07 1.61 3.38 -0.62 -2.77 115.31 115.73 1wok h LEU 768 Ca 0.49 -0.49 0.03 0.00 0.09 0.00 0.00 57.88 58.01 1wok h LEU 768 Cb 1.54 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 42.10 1wok h LEU 768 CO -0.13 1.01 0.07 0.25 0.09 0.00 0.00 178.44 179.73 1wok h LEU 769 N 0.32 0.00 0.17 1.67 6.46 -0.22 -2.25 115.31 121.46 1wok h LEU 769 Ca 0.04 0.00 -0.30 0.00 -0.12 0.00 0.00 57.88 57.50 1wok h LEU 769 Cb 0.84 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 40.78 1wok h LEU 769 CO 0.07 0.00 -1.37 0.44 -0.62 0.00 0.00 178.44 176.96 1wok h ASP 770 N 0.00 0.55 -0.41 1.25 3.32 -1.46 -3.18 116.42 116.49 1wok h ASP 770 Ca 0.04 -0.62 -0.00 0.00 0.02 0.00 0.00 57.03 56.47 1wok h ASP 770 Cb 0.18 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 1wok h ASP 770 CO -0.00 1.49 0.24 0.40 -1.72 0.00 0.00 179.24 179.65 1wok h ILE 771 N 0.10 1.14 -0.80 0.35 2.04 -1.12 -1.68 117.51 117.53 1wok h ILE 771 Ca -0.19 -0.33 0.05 0.00 1.00 0.00 0.00 64.86 65.38 1wok h ILE 771 Cb 2.04 0.62 -0.05 0.00 -0.74 0.00 0.00 36.82 38.69 1wok h ILE 771 CO 0.22 0.14 0.50 -0.08 0.00 0.00 0.00 178.15 178.93 1wok h GLU 772 N 0.54 0.91 -0.41 2.37 4.22 -1.56 0.10 114.58 120.76 1wok h GLU 772 Ca 0.15 -0.05 -0.05 0.00 0.08 0.00 0.00 59.36 59.49 1wok h GLU 772 Cb 0.02 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.05 1wok h GLU 772 CO -0.03 0.60 0.07 0.28 -2.18 0.00 0.00 179.01 177.76 1wok h VAL 773 N 0.94 1.24 0.00 0.32 2.07 -1.43 0.29 116.25 119.68 1wok h VAL 773 Ca 0.34 -0.85 -0.04 0.00 0.82 0.00 0.00 66.70 66.96 1wok h VAL 773 Cb 0.10 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 1wok h VAL 773 CO -0.15 0.29 -0.21 0.00 0.02 0.00 0.00 177.57 177.52 1wok h ALA 774 N 0.93 1.17 0.07 1.67 0.00 -0.84 -2.57 119.26 119.69 1wok h ALA 774 Ca 0.12 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1wok h ALA 774 Cb 0.36 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1wok h ALA 774 CO 0.01 0.27 -0.03 -0.92 0.00 0.00 0.00 179.25 178.57 1wok h TYR 775 N 0.00 -0.09 -0.73 0.00 3.20 -0.20 -0.16 116.97 118.99 1wok h TYR 775 Ca -0.00 -0.00 0.21 0.00 3.14 0.00 0.00 58.73 62.08 1wok h TYR 775 Cb 0.58 0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.85 1wok h TYR 775 CO 0.00 -0.05 0.53 0.66 -1.64 0.00 0.00 178.16 177.66 1wok h SER 776 N -1.03 0.00 0.20 -2.11 4.64 -1.02 -0.93 113.55 113.30 1wok h SER 776 Ca -0.01 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.30 1wok h SER 776 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 1wok h SER 776 CO 0.02 0.00 -0.10 0.25 -0.87 0.00 0.00 176.83 176.13 1wok h LEU 777 N 0.00 -0.23 -1.70 5.97 7.12 -1.54 -3.30 115.31 121.63 1wok h LEU 777 Ca 0.35 0.01 0.51 0.00 0.13 0.00 0.00 57.88 58.87 1wok h LEU 777 Cb 1.40 0.06 -0.09 0.00 -0.53 0.00 0.00 40.66 41.50 1wok h LEU 777 CO -0.00 0.24 1.20 -0.11 -0.13 0.00 0.00 178.44 179.63 1wok n LEU 778 N -4.93 0.04 -3.61 2.25 0.00 -0.07 -3.22 117.00 107.46 1wok n LEU 778 Ca -0.03 0.99 -0.29 0.00 0.00 0.00 0.00 56.01 56.68 1wok n LEU 778 Cb 0.10 -0.49 -0.15 0.00 0.00 0.00 0.00 43.42 42.88 1wok n LEU 778 CO 0.08 -1.02 -0.33 0.00 0.00 0.00 0.00 177.39 176.13 1wok s ARG 779 N -4.79 0.46 0.00 1.96 1.70 -0.76 -4.81 118.95 112.71 1wok s ARG 779 Ca -0.05 -0.86 0.00 0.00 -0.47 0.00 0.00 55.73 54.35 1wok s ARG 779 Cb 0.25 -1.53 0.00 0.00 -0.57 0.00 0.00 34.95 33.11 1wok s ARG 779 CO 0.81 -1.03 0.00 0.41 -1.08 0.00 0.00 175.30 174.41 1wok n GLY 780 N 4.93 1.00 0.00 3.88 0.00 -1.20 -4.77 105.19 109.03 1wok n GLY 780 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1wok n GLY 780 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wok n GLY 781 N 0.00 -1.07 2.59 -0.02 0.00 -1.26 -5.10 105.19 100.33 1wok n GLY 781 Ca 0.00 0.26 -0.21 0.00 0.00 0.00 0.00 46.02 46.07 1wok n GLY 781 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wok n SER 782 N 0.00 3.20 -3.08 1.61 3.41 -1.26 -4.87 113.62 112.63 1wok n SER 782 Ca 0.00 -3.35 -0.16 0.00 -0.26 0.00 0.00 58.87 55.10 1wok n SER 782 Cb 0.00 -0.53 -0.00 0.00 -0.26 0.00 0.00 64.21 63.41 1wok n SER 782 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1wok n ASP 783 N -0.19 0.05 -4.78 4.04 8.00 -1.26 -4.73 116.55 117.69 1wok n ASP 783 Ca 0.27 -3.15 -0.22 0.00 0.71 0.00 0.00 54.79 52.40 1wok n ASP 783 Cb 0.63 -0.03 -0.05 0.00 -0.02 0.00 0.00 41.12 41.65 1wok n ASP 783 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1wok s ASP 784 N -2.11 5.29 0.00 -2.24 2.15 -1.26 -5.11 116.67 113.40 1wok s ASP 784 Ca 0.36 -0.34 0.00 0.00 0.43 0.00 0.00 52.55 52.99 1wok s ASP 784 Cb 0.33 -1.27 0.00 0.00 -0.30 0.00 0.00 42.92 41.67 1wok s ASP 784 CO -0.08 -0.03 0.00 -1.54 -0.17 0.00 0.00 175.17 173.35 1wok n SER 785 N -1.11 0.00 0.00 -0.34 3.41 -1.26 -4.47 113.62 109.85 1wok n SER 785 Ca -0.07 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.54 1wok n SER 785 Cb 0.58 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.53 1wok n SER 785 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1wok n SER 786 N 0.00 0.00 -4.82 4.04 3.41 -1.26 -4.25 113.62 110.74 1wok n SER 786 Ca 0.00 0.00 -0.22 0.00 -0.26 0.00 0.00 58.87 58.39 1wok n SER 786 Cb 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 1wok n SER 786 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1wok s LYS 787 N 0.00 2.51 0.78 4.33 3.01 -1.26 -5.12 119.74 123.99 1wok s LYS 787 Ca 0.00 -1.51 -0.13 0.00 -1.01 0.00 0.00 55.97 53.32 1wok s LYS 787 Cb 0.00 -2.31 0.18 0.00 -1.01 0.00 0.00 37.83 34.69 1wok s LYS 787 CO 0.00 -0.03 1.04 -0.40 0.51 0.00 0.00 175.35 176.47 1wok n ASP 788 N -1.37 0.01 -0.10 2.83 5.75 -1.26 -4.66 116.55 117.75 1wok n ASP 788 Ca -0.00 -1.37 -0.07 0.00 -0.01 0.00 0.00 54.79 53.35 1wok n ASP 788 Cb 0.61 -0.80 -0.01 0.00 -1.03 0.00 0.00 41.12 39.90 1wok n ASP 788 CO 0.00 0.00 0.00 -0.65 -0.11 0.00 0.00 177.20 176.44 1wok h PRO 789 N 0.00 -0.20 -0.74 0.11 0.11 -1.89 -2.18 132.00 127.21 1wok h PRO 789 Ca -0.34 0.01 0.16 0.00 0.11 0.00 0.00 66.00 65.94 1wok h PRO 789 Cb 0.93 0.05 -0.14 0.00 0.11 0.00 0.00 31.00 31.95 1wok h PRO 789 CO 0.24 -0.13 -0.11 0.82 -0.21 0.00 0.00 178.00 178.60 1wok h ILE 790 N -0.21 0.30 -0.35 4.15 2.04 -1.95 0.35 117.51 121.85 1wok h ILE 790 Ca 0.17 -0.01 -0.02 0.00 1.00 0.00 0.00 64.86 66.01 1wok h ILE 790 Cb 0.48 0.26 -0.02 0.00 -0.74 0.00 0.00 36.82 36.80 1wok h ILE 790 CO -0.47 0.01 0.16 0.44 0.00 0.00 0.00 178.15 178.28 1wok h ASP 791 N 0.03 0.46 -0.60 1.72 5.19 -1.83 -0.99 116.42 120.40 1wok h ASP 791 Ca 0.37 -0.14 -0.02 0.00 -0.62 0.00 0.00 57.03 56.63 1wok h ASP 791 Cb 0.61 -0.12 -0.03 0.00 0.18 0.00 0.00 39.33 39.97 1wok h ASP 791 CO -0.72 0.47 0.31 0.58 -3.12 0.00 0.00 179.24 176.76 1wok h VAL 792 N 0.42 1.20 0.00 -1.35 2.07 -0.28 -2.58 116.25 115.74 1wok h VAL 792 Ca 0.12 -0.55 -0.06 0.00 0.82 0.00 0.00 66.70 67.03 1wok h VAL 792 Cb 0.14 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 1wok h VAL 792 CO -0.01 0.23 -0.28 0.78 0.02 0.00 0.00 177.57 178.30 1wok h ASN 793 N 0.82 0.00 0.00 0.57 2.35 -0.34 -3.17 115.58 115.80 1wok h ASN 793 Ca 0.21 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.96 1wok h ASN 793 Cb 0.09 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.46 1wok h ASN 793 CO -0.03 0.28 0.00 0.00 -1.65 0.00 0.00 177.43 176.03 1wok n TYR 794 N -3.43 0.00 -0.54 1.19 9.36 -0.38 -2.20 117.16 121.15 1wok n TYR 794 Ca 0.00 0.00 0.46 0.00 3.32 0.00 0.00 57.90 61.68 1wok n TYR 794 Cb 0.47 -0.38 0.78 0.00 -0.63 0.00 0.00 39.34 39.58 1wok n TYR 794 CO 0.00 0.00 0.00 1.05 0.22 0.00 0.00 176.86 178.13 1wok h GLU 795 N 0.00 0.00 -1.00 2.98 -0.00 -1.60 1.51 114.58 116.47 1wok h GLU 795 Ca 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 59.36 59.42 1wok h GLU 795 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 28.75 28.69 1wok h GLU 795 CO 0.00 0.00 0.65 0.87 -0.00 0.00 0.00 179.01 180.53 1wok h LYS 796 N 0.00 1.17 -0.12 1.06 1.57 -1.41 0.54 116.57 119.38 1wok h LYS 796 Ca 0.78 -0.07 0.03 0.00 -1.87 0.00 0.00 60.65 59.52 1wok h LYS 796 Cb 3.20 -0.26 -0.00 0.00 0.08 0.00 0.00 32.23 35.24 1wok h LYS 796 CO -0.01 0.77 0.14 -0.07 -0.57 0.00 0.00 179.45 179.71 1wok h LEU 797 N 1.20 0.00 -2.42 2.94 3.38 0.23 -3.46 115.31 117.17 1wok h LEU 797 Ca 0.42 0.00 -0.47 0.00 0.09 0.00 0.00 57.88 57.92 1wok h LEU 797 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1wok h LEU 797 CO -0.16 0.00 -0.91 1.17 0.09 0.00 0.00 178.44 178.64 1wok n LYS 798 N -3.75 -2.59 -3.65 1.13 0.00 0.18 -3.89 118.16 105.60 1wok n LYS 798 Ca -0.00 0.42 -0.07 0.00 0.00 0.00 0.00 58.31 58.66 1wok n LYS 798 Cb 0.25 -4.36 -0.08 0.00 0.00 0.00 0.00 35.03 30.84 1wok n LYS 798 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.40 177.32 1wok s THR 799 N -3.76 -0.10 0.24 3.15 -1.32 -1.26 -2.21 115.64 110.38 1wok s THR 799 Ca 0.18 0.03 -0.30 0.00 -1.21 0.00 0.00 61.69 60.39 1wok s THR 799 Cb -0.07 -0.90 -0.09 0.00 -1.51 0.00 0.00 72.50 69.93 1wok s THR 799 CO 0.88 0.01 1.32 -0.62 -2.21 0.00 0.00 174.62 174.00 1wok s ASP 800 N 1.71 6.85 -0.09 8.08 2.15 -1.05 -4.86 116.67 129.46 1wok s ASP 800 Ca -0.09 2.50 -0.01 0.00 0.43 0.00 0.00 52.55 55.39 1wok s ASP 800 Cb -0.07 -2.62 0.03 0.00 -0.30 0.00 0.00 42.92 39.96 1wok s ASP 800 CO -0.18 -0.54 -0.05 -0.63 -0.17 0.00 0.00 175.17 173.61 1wok s ILE 801 N -0.26 0.75 0.06 4.11 1.01 -1.26 -2.15 121.20 123.46 1wok s ILE 801 Ca 0.55 -0.13 0.04 0.00 0.00 0.00 0.00 60.65 61.12 1wok s ILE 801 Cb -0.38 -0.82 -0.03 0.00 0.01 0.00 0.00 42.46 41.25 1wok s ILE 801 CO 0.42 0.32 -0.13 -0.54 0.00 0.00 0.00 174.94 175.02 1wok s LYS 802 N 1.73 0.77 0.40 2.79 -0.14 0.38 -4.95 119.74 120.71 1wok s LYS 802 Ca 0.03 -0.86 -0.23 0.00 -1.36 0.00 0.00 55.97 53.55 1wok s LYS 802 Cb -0.13 -0.73 -0.10 0.00 -1.68 0.00 0.00 37.83 35.19 1wok s LYS 802 CO -0.06 0.16 0.97 0.08 -0.76 0.00 0.00 175.35 175.74 1wok s VAL 803 N -1.19 4.22 0.04 3.17 1.01 -1.26 0.86 120.40 127.25 1wok s VAL 803 Ca -0.03 1.54 0.08 0.00 0.00 0.00 0.00 61.98 63.57 1wok s VAL 803 Cb -0.09 -3.71 -0.03 0.00 0.00 0.00 0.00 36.38 32.54 1wok s VAL 803 CO 0.02 -0.15 -0.21 -0.69 0.00 0.00 0.00 175.10 174.06 1wok s VAL 804 N -1.95 2.52 0.15 2.92 1.01 -1.14 -4.79 120.40 119.12 1wok s VAL 804 Ca 0.59 -1.25 -0.18 0.00 0.00 0.00 0.00 61.98 61.14 1wok s VAL 804 Cb -0.14 -2.03 -0.07 0.00 0.00 0.00 0.00 36.38 34.14 1wok s VAL 804 CO 0.18 0.36 0.62 -1.81 0.00 0.00 0.00 175.10 174.45 1wok s ASP 805 N -1.32 6.99 0.00 3.32 1.11 -1.26 -4.64 116.67 120.87 1wok s ASP 805 Ca 0.13 1.26 0.00 0.00 0.18 0.00 0.00 52.55 54.12 1wok s ASP 805 Cb -0.10 -2.36 0.00 0.00 1.07 0.00 0.00 42.92 41.53 1wok s ASP 805 CO 0.04 0.13 0.18 0.54 1.18 0.00 0.00 175.17 177.23 1wok n ARG 806 N 1.05 0.23 0.00 8.23 1.74 -1.26 -1.08 116.66 125.57 1wok n ARG 806 Ca -0.06 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.02 1wok n ARG 806 Cb 0.51 -1.26 0.00 0.00 -1.02 0.00 0.00 32.46 30.69 1wok n ARG 806 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1wok n ASP 807 N 0.66 0.00 -4.77 0.55 8.00 -1.26 -4.94 116.55 114.79 1wok n ASP 807 Ca 0.00 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.09 1wok n ASP 807 Cb 0.09 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.18 1wok n ASP 807 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1wok s SER 808 N 0.00 6.38 0.46 -2.24 1.04 -0.24 -4.81 113.70 114.28 1wok s SER 808 Ca 0.00 2.99 0.30 0.00 0.48 0.00 0.00 55.95 59.72 1wok s SER 808 Cb 0.00 -2.65 1.38 0.00 0.10 0.00 0.00 66.02 64.85 1wok s SER 808 CO 0.00 -0.87 1.70 1.05 0.98 0.00 0.00 173.24 176.09 1wok h GLU 809 N 3.78 0.15 0.54 4.02 4.11 -1.99 0.16 114.58 125.35 1wok h GLU 809 Ca -0.49 -0.01 -0.02 0.00 0.07 0.00 0.00 59.36 58.91 1wok h GLU 809 Cb 1.23 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 1wok h GLU 809 CO 0.70 0.10 -0.38 0.93 0.07 0.00 0.00 179.01 180.43 1wok h GLU 810 N 0.15 -0.84 -0.99 1.06 5.08 -1.91 -1.98 114.58 115.15 1wok h GLU 810 Ca 0.72 0.06 0.23 0.00 -1.00 0.00 0.00 59.36 59.37 1wok h GLU 810 Cb 2.31 0.19 -0.12 0.00 0.50 0.00 0.00 28.75 31.63 1wok h GLU 810 CO -0.27 -0.56 0.58 0.00 -1.00 0.00 0.00 179.01 177.76 1wok h ALA 811 N -1.28 1.73 0.00 3.43 0.00 -0.91 0.37 119.26 122.60 1wok h ALA 811 Ca -0.07 0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1wok h ALA 811 Cb 0.71 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1wok h ALA 811 CO 0.04 -0.23 -0.21 1.49 0.00 0.00 0.00 179.25 180.35 1wok h GLU 812 N 0.60 0.00 0.18 0.00 4.57 -1.04 -0.51 114.58 118.37 1wok h GLU 812 Ca 0.62 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.79 1wok h GLU 812 Cb 1.14 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.73 1wok h GLU 812 CO -0.46 0.21 -0.08 0.82 -1.18 0.00 0.00 179.01 178.31 1wok h ILE 813 N 0.00 0.73 -0.08 2.32 1.08 0.47 -2.82 117.51 119.21 1wok h ILE 813 Ca -0.00 -1.10 0.02 0.00 -0.39 0.00 0.00 64.86 63.38 1wok h ILE 813 Cb 0.47 1.24 -0.04 0.00 -3.07 0.00 0.00 36.82 35.43 1wok h ILE 813 CO 0.03 0.19 -0.30 0.40 -0.69 0.00 0.00 178.15 177.79 1wok h ILE 814 N -0.91 0.00 -0.81 -0.67 1.08 -1.08 0.31 117.51 115.44 1wok h ILE 814 Ca -0.02 0.00 0.19 0.00 -0.39 0.00 0.00 64.86 64.63 1wok h ILE 814 Cb 0.50 0.00 -0.14 0.00 -3.07 0.00 0.00 36.82 34.11 1wok h ILE 814 CO 0.04 0.00 0.00 0.03 -0.69 0.00 0.00 178.15 177.53 1wok h ARG 815 N -0.31 0.09 -0.32 2.37 3.08 -1.24 0.34 114.38 118.39 1wok h ARG 815 Ca 0.02 -0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.09 1wok h ARG 815 Cb 0.37 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.37 1wok h ARG 815 CO -0.24 0.06 0.15 -0.22 -1.07 0.00 0.00 179.97 178.64 1wok h LYS 816 N 0.09 0.30 -0.37 0.04 3.11 -0.87 -1.82 116.57 117.05 1wok h LYS 816 Ca 0.45 -0.02 -0.00 0.00 -2.81 0.00 0.00 60.65 58.27 1wok h LYS 816 Cb 0.81 -0.07 -0.02 0.00 -1.00 0.00 0.00 32.23 31.95 1wok h LYS 816 CO -0.72 0.20 0.23 -0.92 -2.81 0.00 0.00 179.45 175.43 1wok h TYR 817 N 0.31 0.48 0.17 1.91 3.20 0.24 -2.36 116.97 120.91 1wok h TYR 817 Ca 0.13 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.00 1wok h TYR 817 Cb 0.06 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.17 1wok h TYR 817 CO -0.11 0.33 -0.16 0.28 -1.64 0.00 0.00 178.16 176.87 1wok h VAL 818 N 0.49 0.00 -0.37 1.81 2.07 -0.03 -2.61 116.25 117.61 1wok h VAL 818 Ca 0.13 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.63 1wok h VAL 818 Cb -0.01 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 29.74 1wok h VAL 818 CO -0.03 0.00 0.14 0.07 0.02 0.00 0.00 177.57 177.78 1wok h LYS 819 N -0.32 0.53 -0.30 1.57 5.09 -1.40 -3.06 116.57 118.67 1wok h LYS 819 Ca -0.02 -0.07 -0.08 0.00 0.09 0.00 0.00 60.65 60.58 1wok h LYS 819 Cb 0.27 -0.10 -0.01 0.00 0.10 0.00 0.00 32.23 32.49 1wok h LYS 819 CO -0.01 0.44 -0.11 -0.91 -2.09 0.00 0.00 179.45 176.78 1wok h ASN 820 N 0.53 0.62 -0.33 7.07 -0.26 -1.46 -3.23 115.58 118.51 1wok h ASN 820 Ca 0.13 -0.38 0.00 0.00 -0.56 0.00 0.00 56.30 55.49 1wok h ASN 820 Cb 0.12 -0.17 0.00 0.00 -1.06 0.00 0.00 38.32 37.21 1wok h ASN 820 CO -0.01 0.86 0.00 0.35 -1.06 0.00 0.00 177.43 177.57 1wok n THR 821 N -4.44 1.29 -2.59 2.81 -2.24 -0.98 -4.15 114.28 103.98 1wok n THR 821 Ca -0.03 -0.71 -0.42 0.00 -2.27 0.00 0.00 64.05 60.62 1wok n THR 821 Cb 0.35 -0.25 -0.03 0.00 -2.10 0.00 0.00 70.33 68.30 1wok n THR 821 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1wok s HIS 822 N -1.85 2.57 1.08 4.78 5.04 -1.17 -2.61 115.29 123.13 1wok s HIS 822 Ca 0.29 0.32 -0.22 0.00 -1.54 0.00 0.00 55.06 53.91 1wok s HIS 822 Cb 0.21 -4.51 -0.01 0.00 0.04 0.00 0.00 32.58 28.31 1wok s HIS 822 CO 0.10 -1.64 -0.60 0.00 -2.34 0.00 0.00 174.74 170.27 1wok n ALA 823 N 8.52 -4.82 -0.03 1.58 0.00 -1.26 -4.96 120.51 119.54 1wok n ALA 823 Ca 0.07 -1.34 0.07 0.00 0.00 0.00 0.00 53.44 52.24 1wok n ALA 823 Cb 0.49 -1.24 -0.16 0.00 0.00 0.00 0.00 19.45 18.53 1wok n ALA 823 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1wok n THR 824 N -4.09 0.28 0.08 0.00 5.66 -1.26 -4.12 114.28 110.83 1wok n THR 824 Ca -0.00 -0.56 -0.05 0.00 -3.05 0.00 0.00 64.05 60.38 1wok n THR 824 Cb 0.68 -0.09 -0.09 0.00 -1.55 0.00 0.00 70.33 69.28 1wok n THR 824 CO 0.00 0.00 0.00 0.71 -3.05 0.00 0.00 175.07 172.73 1wok h THR 825 N 0.00 1.55 0.00 1.09 1.35 -2.03 -3.34 112.91 111.53 1wok h THR 825 Ca -0.11 -3.17 -0.70 0.00 -0.55 0.00 0.00 66.41 61.88 1wok h THR 825 Cb 1.24 2.76 -0.02 0.00 -1.73 0.00 0.00 68.15 70.39 1wok h THR 825 CO 0.01 0.88 3.12 1.41 -0.25 0.00 0.00 175.52 180.68 1wok n HIS 826 N -3.33 3.25 -0.25 4.73 -0.00 -1.26 -4.58 115.22 113.79 1wok n HIS 826 Ca 0.00 -2.87 0.11 0.00 -0.00 0.00 0.00 57.72 54.97 1wok n HIS 826 Cb 0.89 -2.46 0.31 0.00 -0.00 0.00 0.00 29.99 28.73 1wok n HIS 826 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.34 176.61 1wok n ASN 827 N 5.99 3.79 -0.81 0.41 6.94 -1.26 -4.44 115.26 125.88 1wok n ASN 827 Ca 0.54 -2.00 0.04 0.00 -0.02 0.00 0.00 54.58 53.14 1wok n ASN 827 Cb 0.37 -0.47 0.16 0.00 -2.36 0.00 0.00 39.78 37.48 1wok n ASN 827 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1wok n ALA 828 N 1.58 2.72 -3.58 -2.53 0.00 -1.26 -4.90 120.51 112.55 1wok n ALA 828 Ca 0.24 -0.68 -0.07 0.00 0.00 0.00 0.00 53.44 52.93 1wok n ALA 828 Cb 0.60 -1.01 -0.03 0.00 0.00 0.00 0.00 19.45 19.01 1wok n ALA 828 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1wok s TYR 829 N -1.65 -0.24 -0.12 0.00 -0.85 -1.26 -2.26 117.35 110.96 1wok s TYR 829 Ca 0.23 0.27 0.00 0.00 -0.52 0.00 0.00 57.07 57.05 1wok s TYR 829 Cb 0.14 0.50 -0.01 0.00 0.38 0.00 0.00 41.96 42.97 1wok s TYR 829 CO 0.12 -0.29 -0.14 -0.51 -1.52 0.00 0.00 175.55 173.20 1wok s ASP 830 N -1.75 3.94 0.59 -0.18 1.01 -0.81 -4.91 116.67 114.56 1wok s ASP 830 Ca 0.05 -0.34 -0.05 0.00 0.71 0.00 0.00 52.55 52.91 1wok s ASP 830 Cb -0.01 -1.57 0.01 0.00 1.01 0.00 0.00 42.92 42.36 1wok s ASP 830 CO -0.04 0.17 0.90 -0.76 0.21 0.00 0.00 175.17 175.64 1wok s LEU 831 N 0.31 3.22 -0.30 1.23 2.01 -1.26 -1.94 118.68 121.95 1wok s LEU 831 Ca -0.11 0.64 -0.03 0.00 0.01 0.00 0.00 54.13 54.64 1wok s LEU 831 Cb -0.16 -3.46 0.19 0.00 0.01 0.00 0.00 46.19 42.77 1wok s LEU 831 CO 0.06 -1.10 0.72 -0.70 1.01 0.00 0.00 176.35 176.34 1wok s GLU 832 N -4.98 0.46 -0.09 1.70 2.56 -1.24 -4.98 118.70 112.12 1wok s GLU 832 Ca 0.54 0.76 -0.29 0.00 0.00 0.00 0.00 54.97 55.97 1wok s GLU 832 Cb -0.11 0.41 -0.05 0.00 2.00 0.00 0.00 34.13 36.39 1wok s GLU 832 CO 0.44 -0.57 1.64 0.08 -0.56 0.00 0.00 175.26 176.30 1wok s VAL 833 N 2.88 3.62 -0.08 3.70 1.01 -1.26 -1.80 120.40 128.47 1wok s VAL 833 Ca 0.15 0.74 -0.05 0.00 0.00 0.00 0.00 61.98 62.82 1wok s VAL 833 Cb -0.13 -3.51 -0.02 0.00 0.00 0.00 0.00 36.38 32.72 1wok s VAL 833 CO -0.19 -0.10 -0.10 -0.38 0.00 0.00 0.00 175.10 174.32 1wok n ILE 834 N 5.68 0.79 -3.86 2.22 -0.00 0.99 -4.94 119.36 120.23 1wok n ILE 834 Ca 0.18 0.34 -0.27 0.00 -0.00 0.00 0.00 62.75 62.99 1wok n ILE 834 Cb 0.43 -1.99 -0.17 0.00 -0.00 0.00 0.00 39.64 37.91 1wok n ILE 834 CO 0.00 0.00 0.00 -1.81 -0.00 0.00 0.00 176.55 174.74 1wok s ASP 835 N -4.75 2.70 0.21 4.38 1.01 -0.48 -4.99 116.67 114.75 1wok s ASP 835 Ca -0.08 -0.62 -0.18 0.00 0.71 0.00 0.00 52.55 52.38 1wok s ASP 835 Cb 0.01 -0.82 -0.08 0.00 1.01 0.00 0.00 42.92 43.04 1wok s ASP 835 CO 0.12 -0.20 0.69 -0.63 0.21 0.00 0.00 175.17 175.36 1wok s ILE 836 N 1.70 4.63 0.03 0.77 1.01 -1.26 -1.73 121.20 126.34 1wok s ILE 836 Ca 0.01 1.18 0.02 0.00 0.00 0.00 0.00 60.65 61.86 1wok s ILE 836 Cb -0.15 -3.82 -0.02 0.00 0.01 0.00 0.00 42.46 38.48 1wok s ILE 836 CO -0.07 0.20 -0.08 -0.36 0.00 0.00 0.00 174.94 174.63 1wok s PHE 837 N -1.53 0.69 -0.18 3.97 0.08 -0.42 -2.86 117.98 117.73 1wok s PHE 837 Ca 0.42 -0.35 -0.09 0.00 0.12 0.00 0.00 56.93 57.03 1wok s PHE 837 Cb -0.16 -0.42 -0.05 0.00 -0.57 0.00 0.00 43.02 41.83 1wok s PHE 837 CO 0.20 -0.04 0.12 0.21 -0.10 0.00 0.00 175.22 175.61 1wok s LYS 838 N -1.06 4.00 0.18 0.44 2.20 0.25 -1.63 119.74 124.12 1wok s LYS 838 Ca -0.05 -0.22 0.02 0.00 -0.36 0.00 0.00 55.97 55.36 1wok s LYS 838 Cb -0.07 -3.34 -0.05 0.00 -1.51 0.00 0.00 37.83 32.86 1wok s LYS 838 CO 0.00 0.40 0.02 0.96 -0.36 0.00 0.00 175.35 176.37 1wok s ILE 839 N 0.06 0.63 -0.30 5.43 -4.36 0.15 -0.47 121.20 122.35 1wok s ILE 839 Ca 0.09 -1.98 0.00 0.00 -0.26 0.00 0.00 60.65 58.50 1wok s ILE 839 Cb -0.11 -2.20 0.19 0.00 1.25 0.00 0.00 42.46 41.59 1wok s ILE 839 CO -0.01 -0.40 0.68 -0.70 0.24 0.00 0.00 174.94 174.76 1wok s GLU 840 N -3.94 0.49 0.28 0.37 2.12 -0.91 -4.43 118.70 112.67 1wok s GLU 840 Ca 0.26 0.65 -0.30 0.00 0.36 0.00 0.00 54.97 55.94 1wok s GLU 840 Cb 0.06 0.33 -0.11 0.00 0.26 0.00 0.00 34.13 34.67 1wok s GLU 840 CO 0.05 -0.74 1.61 1.03 -0.54 0.00 0.00 175.26 176.67 1wok s ARG 841 N 2.86 4.13 -0.71 4.30 0.52 -1.26 -2.53 118.95 126.25 1wok s ARG 841 Ca 0.15 2.57 -0.26 0.00 -0.52 0.00 0.00 55.73 57.67 1wok s ARG 841 Cb -0.11 -3.03 -0.14 0.00 0.52 0.00 0.00 34.95 32.18 1wok s ARG 841 CO -0.23 -0.64 2.46 -1.91 0.02 0.00 0.00 175.30 175.01 1wok n GLU 842 N 2.43 0.61 -1.27 3.54 2.13 -0.94 -1.92 120.64 125.22 1wok n GLU 842 Ca 0.09 -0.16 0.00 0.00 0.66 0.00 0.00 57.16 57.75 1wok n GLU 842 Cb 0.37 -2.81 0.00 0.00 0.27 0.00 0.00 31.44 29.28 1wok n GLU 842 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1wok n GLY 843 N 6.23 0.92 0.11 8.31 0.00 -1.26 -4.98 105.19 114.51 1wok n GLY 843 Ca 0.49 -0.59 -0.15 0.00 0.00 0.00 0.00 46.02 45.77 1wok n GLY 843 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1wok h GLU 844 N 0.00 0.14 -0.71 1.61 4.81 -1.77 -3.24 114.58 115.43 1wok h GLU 844 Ca 0.00 -0.24 0.06 0.00 -0.13 0.00 0.00 59.36 59.05 1wok h GLU 844 Cb 0.61 0.09 -0.06 0.00 0.63 0.00 0.00 28.75 30.03 1wok h GLU 844 CO 0.00 0.88 0.40 0.00 -0.73 0.00 0.00 179.01 179.56 1wok h GLN 846 N 0.73 0.00 0.00 0.00 4.20 -1.96 0.92 115.11 118.99 1wok h GLN 846 Ca 0.32 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.90 1wok h GLN 846 Cb 0.21 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.97 1wok h GLN 846 CO -0.19 0.16 -1.06 -0.09 -0.67 0.00 0.00 178.83 176.98 1wok h ARG 847 N 0.00 0.00 0.00 1.46 2.43 -0.73 -3.34 114.38 114.20 1wok h ARG 847 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1wok h ARG 847 Cb 0.36 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 1wok h ARG 847 CO 0.02 0.31 -1.26 0.98 -1.51 0.00 0.00 179.97 178.51 1wok n TYR 848 N -2.97 0.18 -0.34 2.20 9.36 0.13 -4.57 117.16 121.15 1wok n TYR 848 Ca -0.05 0.05 0.17 0.00 3.32 0.00 0.00 57.90 61.39 1wok n TYR 848 Cb 0.77 -0.39 0.33 0.00 -0.63 0.00 0.00 39.34 39.42 1wok n TYR 848 CO 0.00 0.00 0.00 -0.22 0.22 0.00 0.00 176.86 176.86 1wok h LYS 849 N 0.00 0.01 0.96 2.98 1.63 -0.96 0.12 116.57 121.32 1wok h LYS 849 Ca 0.00 -0.00 -0.05 0.00 -0.85 0.00 0.00 60.65 59.75 1wok h LYS 849 Cb 0.76 -0.00 0.01 0.00 -0.60 0.00 0.00 32.23 32.40 1wok h LYS 849 CO 0.00 0.01 -0.46 -1.35 -3.45 0.00 0.00 179.45 174.20 1wok h PRO 850 N 0.02 -1.24 0.00 1.90 0.11 -1.85 -2.72 132.00 128.22 1wok h PRO 850 Ca 0.63 0.08 -0.00 0.00 0.11 0.00 0.00 66.00 66.82 1wok h PRO 850 Cb 1.36 0.28 -0.00 0.00 0.11 0.00 0.00 31.00 32.75 1wok h PRO 850 CO -0.89 -0.83 -0.00 0.74 -0.21 0.00 0.00 178.00 176.81 1wok h PHE 851 N -1.32 0.00 0.00 0.65 0.04 -1.76 -2.03 116.94 112.53 1wok h PHE 851 Ca -0.13 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.64 1wok h PHE 851 Cb 0.99 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.14 1wok h PHE 851 CO 0.01 0.00 0.29 1.17 -0.60 0.00 0.00 178.31 179.18 1wok n LYS 852 N -3.12 0.09 -2.78 1.51 3.00 0.39 -1.02 118.16 116.22 1wok n LYS 852 Ca -0.02 0.56 -0.28 0.00 -0.00 0.00 0.00 58.31 58.57 1wok n LYS 852 Cb 0.14 -2.07 -0.03 0.00 0.00 0.00 0.00 35.03 33.08 1wok n LYS 852 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 1wok n GLN 853 N -2.02 3.36 -4.53 1.64 1.13 -0.76 -5.01 117.38 111.19 1wok n GLN 853 Ca -0.01 -4.74 -0.25 0.00 -1.94 0.00 0.00 57.00 50.07 1wok n GLN 853 Cb 0.30 -2.25 -0.10 0.00 0.11 0.00 0.00 30.24 28.30 1wok n GLN 853 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 1wok s LEU 854 N -3.53 2.31 0.33 1.08 2.96 -0.19 -5.11 118.68 116.54 1wok s LEU 854 Ca 0.48 -1.45 0.07 0.00 -0.22 0.00 0.00 54.13 53.02 1wok s LEU 854 Cb 0.32 -0.49 -0.02 0.00 0.50 0.00 0.00 46.19 46.50 1wok s LEU 854 CO -0.16 -0.64 0.35 -1.38 -1.32 0.00 0.00 176.35 173.20 1wok s HIS 855 N -3.12 2.99 -0.39 5.38 -3.43 -1.26 -4.79 115.29 110.66 1wok s HIS 855 Ca 0.31 -0.27 -0.04 0.00 -0.80 0.00 0.00 55.06 54.27 1wok s HIS 855 Cb 0.07 -1.86 0.00 0.00 -1.43 0.00 0.00 32.58 29.37 1wok s HIS 855 CO 0.15 0.13 0.42 -1.71 -2.00 0.00 0.00 174.74 171.72 1wok n ASN 856 N -1.46 -5.71 -4.30 7.38 4.05 -1.26 -1.06 115.26 112.90 1wok n ASN 856 Ca -0.01 0.10 -0.34 0.00 0.45 0.00 0.00 54.58 54.78 1wok n ASN 856 Cb 0.59 -3.75 -0.14 0.00 1.23 0.00 0.00 39.78 37.71 1wok n ASN 856 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 177.26 174.08 1wok s ARG 857 N -2.63 3.32 0.12 1.20 0.52 -1.26 -1.87 118.95 118.35 1wok s ARG 857 Ca 0.06 -0.67 0.02 0.00 -0.52 0.00 0.00 55.73 54.62 1wok s ARG 857 Cb -0.02 -2.82 -0.04 0.00 0.52 0.00 0.00 34.95 32.59 1wok s ARG 857 CO 0.48 -0.07 -0.06 -0.98 0.02 0.00 0.00 175.30 174.68 1wok s ARG 858 N 1.10 0.92 -0.68 3.54 1.70 -1.17 -1.45 118.95 122.91 1wok s ARG 858 Ca 0.01 -1.39 -0.23 0.00 -0.47 0.00 0.00 55.73 53.65 1wok s ARG 858 Cb -0.15 -0.31 0.06 0.00 -0.57 0.00 0.00 34.95 33.99 1wok s ARG 858 CO -0.02 -0.01 1.02 -0.51 -1.08 0.00 0.00 175.30 174.70 1wok s LEU 859 N -3.09 4.19 0.16 -1.89 1.43 -1.16 -2.71 118.68 115.62 1wok s LEU 859 Ca 0.15 -0.92 0.05 0.00 -1.03 0.00 0.00 54.13 52.38 1wok s LEU 859 Cb 0.05 -2.44 -0.04 0.00 0.03 0.00 0.00 46.19 43.79 1wok s LEU 859 CO -0.02 -1.50 0.10 -0.76 0.23 0.00 0.00 176.35 174.39 1wok s LEU 860 N 4.33 3.68 0.80 1.79 1.43 -1.13 -4.71 118.68 124.87 1wok s LEU 860 Ca 0.24 -0.19 -0.08 0.00 -1.03 0.00 0.00 54.13 53.07 1wok s LEU 860 Cb -0.15 -2.30 0.13 0.00 0.03 0.00 0.00 46.19 43.90 1wok s LEU 860 CO 0.11 0.08 1.12 0.26 0.23 0.00 0.00 176.35 178.14 1wok s TRP 861 N -1.72 1.99 -0.30 0.29 0.52 -0.87 -2.31 118.94 116.53 1wok s TRP 861 Ca 0.30 0.15 -0.11 0.00 0.02 0.00 0.00 56.10 56.46 1wok s TRP 861 Cb -0.10 -3.45 0.18 0.00 -1.15 0.00 0.00 33.47 28.94 1wok s TRP 861 CO 0.22 -1.95 0.91 -1.58 0.02 0.00 0.00 176.95 174.57 1wok s HIS 862 N -3.44 -0.85 -0.05 -1.98 2.46 -0.63 -3.34 115.29 107.46 1wok s HIS 862 Ca 0.67 1.06 -0.02 0.00 0.47 0.00 0.00 55.06 57.25 1wok s HIS 862 Cb -0.06 0.36 -0.04 0.00 -0.13 0.00 0.00 32.58 32.71 1wok s HIS 862 CO 0.47 -0.46 0.05 0.20 -2.47 0.00 0.00 174.74 172.54 1wok s GLY 863 N 2.80 1.96 0.15 1.59 0.00 -1.13 -0.61 107.32 112.08 1wok s GLY 863 Ca 0.04 -0.82 -0.16 0.00 0.00 0.00 0.00 44.72 43.78 1wok s GLY 863 CO -0.15 -0.64 0.42 -0.45 0.00 0.00 0.00 173.10 172.27 1wok s SER 864 N -1.32 -0.21 -0.03 1.64 0.15 -1.10 -4.75 113.70 108.08 1wok s SER 864 Ca 0.18 -0.42 -0.30 0.00 0.70 0.00 0.00 55.95 56.11 1wok s SER 864 Cb -0.12 0.49 -0.06 0.00 -1.71 0.00 0.00 66.02 64.63 1wok s SER 864 CO 0.08 -0.91 1.55 -0.60 1.20 0.00 0.00 173.24 174.57 1wok s ARG 865 N -3.84 4.22 0.28 5.44 3.52 -1.17 -4.32 118.95 123.07 1wok s ARG 865 Ca 0.06 2.11 0.06 0.00 -0.13 0.00 0.00 55.73 57.83 1wok s ARG 865 Cb 0.01 -3.78 0.78 0.00 -1.56 0.00 0.00 34.95 30.40 1wok s ARG 865 CO -0.09 -0.74 1.33 2.41 -0.81 0.00 0.00 175.30 177.41 1wok n THR 866 N 5.11 -0.36 0.43 4.11 -1.04 -1.26 0.13 114.28 121.40 1wok n THR 866 Ca 0.16 1.83 0.00 0.00 -2.04 0.00 0.00 64.05 63.99 1wok n THR 866 Cb 0.43 -2.74 0.00 0.00 -1.82 0.00 0.00 70.33 66.19 1wok n THR 866 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1wok n THR 867 N -5.14 1.27 0.00 12.58 -2.24 -1.26 -1.88 114.28 117.61 1wok n THR 867 Ca 0.23 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.85 1wok n THR 867 Cb 0.77 -1.15 0.00 0.00 -2.10 0.00 0.00 70.33 67.86 1wok n THR 867 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1wok n ASN 868 N 0.89 3.84 -0.17 3.42 4.13 0.12 -4.36 115.26 123.13 1wok n ASN 868 Ca 0.00 0.00 -0.03 0.00 1.68 0.00 0.00 54.58 56.23 1wok n ASN 868 Cb 0.47 0.57 0.06 0.00 -1.54 0.00 0.00 39.78 39.34 1wok n ASN 868 CO 0.00 0.00 0.00 -0.26 0.28 0.00 0.00 177.26 177.28 1wok h PHE 869 N 0.00 0.45 -0.99 3.10 -1.00 -1.46 -1.65 116.94 115.39 1wok h PHE 869 Ca 0.00 0.02 0.33 0.00 2.81 0.00 0.00 57.97 61.13 1wok h PHE 869 Cb 0.40 -0.12 -0.18 0.00 3.61 0.00 0.00 35.95 39.66 1wok h PHE 869 CO 0.00 0.20 0.23 0.00 -1.61 0.00 0.00 178.31 177.13 1wok h ALA 870 N 1.31 1.55 -0.01 2.45 0.00 -1.86 0.67 119.26 123.35 1wok h ALA 870 Ca 0.24 0.31 -0.20 0.00 0.00 0.00 0.00 54.91 55.26 1wok h ALA 870 Cb 0.19 0.49 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1wok h ALA 870 CO -0.19 -0.71 -0.85 0.78 0.00 0.00 0.00 179.25 178.28 1wok h GLY 871 N 0.02 0.32 0.60 0.00 0.00 -1.59 -2.93 103.07 99.49 1wok h GLY 871 Ca 0.69 -0.54 -0.07 0.00 0.00 0.00 0.00 47.33 47.42 1wok h GLY 871 CO -0.86 0.47 -0.24 -2.22 0.00 0.00 0.00 176.54 173.70 1wok h ILE 872 N 0.17 1.45 0.00 2.60 2.04 0.15 1.14 117.51 125.06 1wok h ILE 872 Ca -0.05 -1.67 0.00 0.00 1.00 0.00 0.00 64.86 64.14 1wok h ILE 872 Cb 1.46 2.38 0.00 0.00 -0.74 0.00 0.00 36.82 39.92 1wok h ILE 872 CO 0.14 0.47 0.00 0.18 0.00 0.00 0.00 178.15 178.94 1wok n LEU 873 N -4.51 0.00 -0.09 1.44 4.77 0.18 0.17 117.00 118.97 1wok n LEU 873 Ca -0.08 0.34 -0.13 0.00 -0.03 0.00 0.00 56.01 56.11 1wok n LEU 873 Cb 0.45 -0.34 -0.08 0.00 -2.33 0.00 0.00 43.42 41.12 1wok n LEU 873 CO 0.40 -0.17 -1.08 -0.24 -1.33 0.00 0.00 177.39 174.97 1wok n SER 874 N -1.34 2.40 -0.17 -1.43 2.88 -1.11 -4.53 113.62 110.32 1wok n SER 874 Ca 0.06 -0.03 0.06 0.00 -1.33 0.00 0.00 58.87 57.63 1wok n SER 874 Cb 0.13 -0.32 -0.03 0.00 -0.75 0.00 0.00 64.21 63.24 1wok n SER 874 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wok n GLN 875 N -3.16 2.23 -0.62 -1.46 1.13 0.39 -4.96 117.38 110.93 1wok n GLN 875 Ca -0.32 -0.40 0.04 0.00 -1.94 0.00 0.00 57.00 54.38 1wok n GLN 875 Cb 0.81 -1.16 -0.02 0.00 0.11 0.00 0.00 30.24 29.98 1wok n GLN 875 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1wok n GLY 876 N 1.16 -3.10 3.68 1.08 0.00 0.46 -4.73 105.19 103.74 1wok n GLY 876 Ca 0.04 -1.21 -0.47 0.00 0.00 0.00 0.00 46.02 44.38 1wok n GLY 876 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wok n LEU 877 N -2.57 3.52 -4.95 0.99 4.77 -1.26 -4.73 117.00 112.76 1wok n LEU 877 Ca -0.02 0.97 -0.19 0.00 -0.03 0.00 0.00 56.01 56.74 1wok n LEU 877 Cb 0.25 -1.40 -0.01 0.00 -2.33 0.00 0.00 43.42 39.94 1wok n LEU 877 CO 0.01 -0.04 0.09 -0.13 -1.33 0.00 0.00 177.39 175.99 1wok s ARG 878 N 3.83 2.69 -0.13 3.23 1.81 -1.26 -4.92 118.95 124.20 1wok s ARG 878 Ca 0.91 -1.37 -0.07 0.00 -1.72 0.00 0.00 55.73 53.48 1wok s ARG 878 Cb -0.66 -2.59 -0.04 0.00 -0.45 0.00 0.00 34.95 31.21 1wok s ARG 878 CO 0.49 -0.25 0.12 0.96 -0.68 0.00 0.00 175.30 175.94 1wok s ILE 879 N -2.41 5.30 -0.05 1.52 -0.00 -1.26 -4.76 121.20 119.54 1wok s ILE 879 Ca 0.52 0.14 -0.37 0.00 -0.00 0.00 0.00 60.65 60.93 1wok s ILE 879 Cb -0.07 -3.32 -0.15 0.00 -0.00 0.00 0.00 42.46 38.91 1wok s ILE 879 CO 0.31 0.58 1.58 0.00 -0.00 0.00 0.00 174.94 177.40 1wok n ALA 880 N 2.36 -0.20 -1.45 2.27 0.00 -1.26 -4.83 120.51 117.39 1wok n ALA 880 Ca -0.19 0.44 -0.39 0.00 0.00 0.00 0.00 53.44 53.29 1wok n ALA 880 Cb 0.54 -2.21 0.02 0.00 0.00 0.00 0.00 19.45 17.81 1wok n ALA 880 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1wok n PRO 881 N 4.12 0.53 -0.26 0.00 -0.04 -1.26 -4.84 135.00 133.25 1wok n PRO 881 Ca 0.22 0.20 -0.06 0.00 -0.04 0.00 0.00 63.50 63.81 1wok n PRO 881 Cb 0.19 -1.60 -0.02 0.00 -0.04 0.00 0.00 33.50 32.04 1wok n PRO 881 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 1wok h PRO 882 N 0.45 -0.14 0.00 0.54 0.11 -2.01 -1.76 132.00 129.19 1wok h PRO 882 Ca -0.44 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1wok h PRO 882 Cb 1.40 0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.54 1wok h PRO 882 CO 0.48 -0.09 0.00 0.39 -0.21 0.00 0.00 178.00 178.57 1wok n GLU 883 N -5.41 0.00 -3.53 1.05 4.71 -1.26 -4.60 120.64 111.60 1wok n GLU 883 Ca 0.04 0.00 -0.38 0.00 -0.01 0.00 0.00 57.16 56.81 1wok n GLU 883 Cb 0.35 -1.14 -0.06 0.00 -1.01 0.00 0.00 31.44 29.58 1wok n GLU 883 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1wok s ALA 884 N -1.10 3.68 0.28 0.62 0.00 -0.66 -2.78 121.76 121.80 1wok s ALA 884 Ca 0.00 -0.29 -0.30 0.00 0.00 0.00 0.00 51.96 51.36 1wok s ALA 884 Cb 0.00 -2.36 -0.12 0.00 0.00 0.00 0.00 23.12 20.64 1wok s ALA 884 CO 0.00 0.40 1.61 -0.35 0.00 0.00 0.00 175.76 177.42 1wok n PRO 885 N 2.25 2.70 -0.21 0.00 -0.04 -1.26 -4.85 135.00 133.60 1wok n PRO 885 Ca -0.14 0.96 0.07 0.00 -0.04 0.00 0.00 63.50 64.36 1wok n PRO 885 Cb 0.52 -2.76 0.35 0.00 -0.04 0.00 0.00 33.50 31.57 1wok n PRO 885 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1wok h VAL 886 N 3.41 1.00 0.00 0.52 2.07 -1.93 0.03 116.25 121.35 1wok h VAL 886 Ca -0.46 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 66.79 1wok h VAL 886 Cb 1.22 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 1wok h VAL 886 CO 0.82 0.14 0.00 0.35 0.02 0.00 0.00 177.57 178.90 1wok n THR 887 N -4.49 1.08 1.68 2.57 -2.24 -1.26 -1.71 114.28 109.91 1wok n THR 887 Ca 0.12 0.28 0.15 0.00 -2.27 0.00 0.00 64.05 62.33 1wok n THR 887 Cb 0.26 -1.09 0.83 0.00 -2.10 0.00 0.00 70.33 68.23 1wok n THR 887 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wok n GLY 888 N -0.19 -1.05 2.87 3.38 0.00 -0.00 -4.71 105.19 105.50 1wok n GLY 888 Ca 0.03 -0.17 -0.18 0.00 0.00 0.00 0.00 46.02 45.70 1wok n GLY 888 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wok s TYR 889 N -2.22 0.54 0.35 1.61 1.51 -0.70 -5.00 117.35 113.45 1wok s TYR 889 Ca 0.38 -0.11 0.08 0.00 -1.01 0.00 0.00 57.07 56.41 1wok s TYR 889 Cb 0.20 -0.52 0.78 0.00 -0.11 0.00 0.00 41.96 42.32 1wok s TYR 889 CO 0.38 -0.14 1.87 1.98 -1.11 0.00 0.00 175.55 178.53 1wok h MET 890 N 7.04 0.71 -1.34 -0.62 1.85 -1.84 -3.16 114.93 117.57 1wok h MET 890 Ca -0.39 -0.04 -0.47 0.00 -0.61 0.00 0.00 59.70 58.18 1wok h MET 890 Cb 1.15 -0.16 -0.41 0.00 0.43 0.00 0.00 31.60 32.61 1wok h MET 890 CO 0.48 0.47 -0.98 1.19 -0.40 0.00 0.00 176.91 177.67 1wok n PHE 891 N -4.56 2.17 -0.79 1.39 3.72 -1.25 -2.85 117.46 115.30 1wok n PHE 891 Ca 0.17 -3.05 0.10 0.00 -0.05 0.00 0.00 57.45 54.63 1wok n PHE 891 Cb 0.44 -0.26 -0.03 0.00 -0.94 0.00 0.00 39.48 38.69 1wok n PHE 891 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1wok n GLY 892 N -0.22 -1.90 3.60 1.37 0.00 -1.20 -4.42 105.19 102.42 1wok n GLY 892 Ca 0.23 -1.31 -0.42 0.00 0.00 0.00 0.00 46.02 44.52 1wok n GLY 892 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wok s LYS 893 N -2.08 3.83 0.10 1.61 1.02 -1.26 -4.84 119.74 118.12 1wok s LYS 893 Ca 0.00 0.49 -0.13 0.00 0.02 0.00 0.00 55.97 56.34 1wok s LYS 893 Cb 0.00 -3.79 0.05 0.00 -0.52 0.00 0.00 37.83 33.56 1wok s LYS 893 CO 0.00 -0.87 0.64 0.41 -0.92 0.00 0.00 175.35 174.61 1wok n GLY 894 N 4.40 0.84 3.79 -3.33 0.00 -1.26 -4.88 105.19 104.75 1wok n GLY 894 Ca 0.05 -1.06 -0.39 0.00 0.00 0.00 0.00 46.02 44.63 1wok n GLY 894 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wok s ILE 895 N -2.25 4.62 -0.05 -0.61 1.01 -0.89 -4.68 121.20 118.36 1wok s ILE 895 Ca 0.14 1.43 0.03 0.00 0.00 0.00 0.00 60.65 62.25 1wok s ILE 895 Cb -0.02 -4.01 -0.03 0.00 0.01 0.00 0.00 42.46 38.42 1wok s ILE 895 CO 0.03 0.52 -0.14 -0.31 0.00 0.00 0.00 174.94 175.04 1wok s TYR 896 N -0.95 2.72 0.26 3.97 1.51 -1.26 -2.41 117.35 121.20 1wok s TYR 896 Ca 0.32 -0.17 0.02 0.00 -1.01 0.00 0.00 57.07 56.23 1wok s TYR 896 Cb -0.21 -1.64 -0.04 0.00 -0.11 0.00 0.00 41.96 39.96 1wok s TYR 896 CO 0.22 0.18 0.13 -0.06 -1.11 0.00 0.00 175.55 174.91 1wok s PHE 897 N -0.69 1.48 0.24 2.71 0.40 0.17 -4.77 117.98 117.51 1wok s PHE 897 Ca 0.11 -1.31 -0.04 0.00 -0.60 0.00 0.00 56.93 55.09 1wok s PHE 897 Cb -0.11 -0.80 -0.03 0.00 0.51 0.00 0.00 43.02 42.59 1wok s PHE 897 CO 0.01 -0.49 0.27 0.00 0.70 0.00 0.00 175.22 175.71 1wok s ALA 898 N -3.79 0.81 -0.85 5.36 0.00 -1.21 -1.99 121.76 120.10 1wok s ALA 898 Ca 0.37 -1.50 0.07 0.00 0.00 0.00 0.00 51.96 50.91 1wok s ALA 898 Cb 0.06 1.29 0.04 0.00 0.00 0.00 0.00 23.12 24.52 1wok s ALA 898 CO 0.15 -0.69 0.68 -0.40 0.00 0.00 0.00 175.76 175.50 1wok n ASP 899 N -0.53 1.45 -4.21 0.00 5.68 -1.26 -2.05 116.55 115.64 1wok n ASP 899 Ca 0.01 -1.23 -0.41 0.00 -0.50 0.00 0.00 54.79 52.67 1wok n ASP 899 Cb 0.64 0.13 -0.08 0.00 -1.14 0.00 0.00 41.12 40.66 1wok n ASP 899 CO 0.00 0.00 0.00 -0.04 -1.33 0.00 0.00 177.20 175.83 1wok s MET 900 N -0.75 2.48 0.27 0.11 -1.94 -1.26 -4.80 119.30 113.41 1wok s MET 900 Ca 0.08 -1.77 -0.05 0.00 -1.71 0.00 0.00 55.69 52.24 1wok s MET 900 Cb 0.06 -3.93 0.51 0.00 2.01 0.00 0.00 34.83 33.47 1wok s MET 900 CO 0.12 -1.20 1.46 1.55 -0.01 0.00 0.00 175.02 176.93 1wok n VAL 901 N 4.91 -0.39 0.32 -6.03 3.14 -1.07 0.88 118.33 120.08 1wok n VAL 901 Ca -0.08 2.11 0.20 0.00 -2.96 0.00 0.00 64.34 63.62 1wok n VAL 901 Cb 0.41 -2.97 1.07 0.00 -1.06 0.00 0.00 33.84 31.29 1wok n VAL 901 CO 0.00 0.00 0.00 0.77 -6.46 0.00 0.00 176.83 171.14 1wok h SER 902 N 0.00 0.00 -0.16 6.55 4.64 -1.89 -0.34 113.55 122.35 1wok h SER 902 Ca 0.48 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.62 1wok h SER 902 Cb 0.82 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.91 1wok h SER 902 CO -0.94 0.01 -0.57 0.50 -0.87 0.00 0.00 176.83 174.96 1wok h LYS 903 N 0.00 0.76 0.00 4.77 3.64 0.17 -2.29 116.57 123.62 1wok h LYS 903 Ca -0.00 -0.50 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 1wok h LYS 903 Cb 0.10 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 1wok h LYS 903 CO 0.00 1.12 -0.75 0.66 -2.27 0.00 0.00 179.45 178.21 1wok h SER 904 N 0.58 0.00 0.40 4.20 4.64 -1.49 -3.30 113.55 118.57 1wok h SER 904 Ca 0.01 -0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.20 1wok h SER 904 Cb 1.17 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.24 1wok h SER 904 CO 0.12 0.00 -0.51 0.00 -0.87 0.00 0.00 176.83 175.58 1wok h ALA 905 N 2.01 1.07 0.00 5.18 0.00 -0.95 -2.40 119.26 124.17 1wok h ALA 905 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1wok h ALA 905 Cb 0.99 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1wok h ALA 905 CO 0.00 0.65 0.00 0.09 0.00 0.00 0.00 179.25 179.99 1wok n ASN 906 N -3.94 0.00 -0.68 0.00 3.02 -0.87 -1.44 115.26 111.35 1wok n ASN 906 Ca -0.02 -0.09 0.06 0.00 -0.03 0.00 0.00 54.58 54.50 1wok n ASN 906 Cb 0.54 0.00 0.21 0.00 -0.61 0.00 0.00 39.78 39.91 1wok n ASN 906 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1wok n TYR 907 N -0.83 0.61 1.05 3.10 4.01 -0.92 -4.54 117.16 119.64 1wok n TYR 907 Ca 0.01 -1.13 0.11 0.00 -0.16 0.00 0.00 57.90 56.73 1wok n TYR 907 Cb 0.01 -0.30 0.07 0.00 -0.31 0.00 0.00 39.34 38.81 1wok n TYR 907 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1wok n HIS 909 N 0.04 -1.75 -4.29 0.00 8.25 -1.26 -4.28 115.22 111.94 1wok n HIS 909 Ca 0.10 0.38 -0.35 0.00 -0.26 0.00 0.00 57.72 57.60 1wok n HIS 909 Cb 0.46 -3.04 -0.09 0.00 1.12 0.00 0.00 29.99 28.44 1wok n HIS 909 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1wok s THR 910 N -3.37 4.47 0.12 1.59 -4.23 -1.26 -4.95 115.64 108.01 1wok s THR 910 Ca 0.37 -0.18 0.00 0.00 -1.18 0.00 0.00 61.69 60.70 1wok s THR 910 Cb -0.18 -2.90 0.00 0.00 1.34 0.00 0.00 72.50 70.76 1wok s THR 910 CO 0.91 0.59 0.03 -1.54 -0.54 0.00 0.00 174.62 174.07 1wok n SER 911 N 2.33 2.08 0.02 3.99 3.41 -0.56 -4.95 113.62 119.94 1wok n SER 911 Ca -0.19 -1.51 -0.09 0.00 -0.26 0.00 0.00 58.87 56.82 1wok n SER 911 Cb 0.54 0.06 0.06 0.00 -0.26 0.00 0.00 64.21 64.60 1wok n SER 911 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1wok h GLN 912 N 0.00 0.51 -0.42 4.33 4.20 -1.99 -2.49 115.11 119.25 1wok h GLN 912 Ca -0.10 -0.33 0.07 0.00 0.06 0.00 0.00 58.65 58.35 1wok h GLN 912 Cb 0.30 0.04 -0.06 0.00 0.30 0.00 0.00 27.48 28.07 1wok h GLN 912 CO 0.16 0.94 0.06 0.78 -0.67 0.00 0.00 178.83 180.09 1wok h GLY 913 N 1.12 0.48 -7.31 3.46 0.00 -2.02 -3.25 103.07 95.55 1wok h GLY 913 Ca 0.00 0.00 -0.64 0.00 0.00 0.00 0.00 47.33 46.69 1wok h GLY 913 CO 0.11 -0.07 -0.56 -0.35 0.00 0.00 0.00 176.54 175.67 1wok s ASP 914 N -5.29 4.63 0.00 0.19 2.15 -1.13 -4.94 116.67 112.28 1wok s ASP 914 Ca -0.13 -3.28 0.17 0.00 0.43 0.00 0.00 52.55 49.74 1wok s ASP 914 Cb 0.14 -1.67 0.51 0.00 -0.30 0.00 0.00 42.92 41.60 1wok s ASP 914 CO 0.72 -0.20 1.41 -0.81 -0.17 0.00 0.00 175.17 176.11 1wok n PRO 915 N 2.77 2.03 -4.11 4.34 -0.04 -0.95 -1.50 135.00 137.53 1wok n PRO 915 Ca 0.10 -1.57 -0.32 0.00 -0.04 0.00 0.00 63.50 61.67 1wok n PRO 915 Cb 0.34 -1.39 -0.16 0.00 -0.04 0.00 0.00 33.50 32.25 1wok n PRO 915 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1wok s ILE 916 N -1.52 1.83 0.47 0.52 1.01 -1.26 0.11 121.20 122.36 1wok s ILE 916 Ca 0.32 -0.80 0.02 0.00 0.00 0.00 0.00 60.65 60.20 1wok s ILE 916 Cb 0.17 -1.68 -0.01 0.00 0.01 0.00 0.00 42.46 40.96 1wok s ILE 916 CO 0.24 0.50 0.09 0.61 0.00 0.00 0.00 174.94 176.38 1wok n GLY 917 N 4.65 3.35 3.27 6.18 0.00 0.36 -4.99 105.19 118.01 1wok n GLY 917 Ca -0.19 -2.23 -0.29 0.00 0.00 0.00 0.00 46.02 43.30 1wok n GLY 917 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wok s LEU 918 N 0.00 2.05 0.03 0.99 1.43 -1.26 -1.92 118.68 120.00 1wok s LEU 918 Ca 0.12 -0.43 0.01 0.00 -1.03 0.00 0.00 54.13 52.80 1wok s LEU 918 Cb 0.01 -1.20 -0.02 0.00 0.03 0.00 0.00 46.19 45.00 1wok s LEU 918 CO 0.09 0.28 -0.05 -0.51 0.23 0.00 0.00 176.35 176.39 1wok s ILE 919 N -0.57 0.29 0.03 -0.59 2.07 -1.22 -4.23 121.20 116.99 1wok s ILE 919 Ca 0.09 -0.97 0.01 0.00 -1.41 0.00 0.00 60.65 58.37 1wok s ILE 919 Cb -0.09 -0.41 -0.04 0.00 0.13 0.00 0.00 42.46 42.06 1wok s ILE 919 CO -0.01 -0.44 0.06 -0.76 -1.91 0.00 0.00 174.94 171.88 1wok s LEU 920 N -1.49 3.75 -0.32 8.50 1.43 0.22 -1.37 118.68 129.40 1wok s LEU 920 Ca -0.13 0.04 0.02 0.00 -1.03 0.00 0.00 54.13 53.03 1wok s LEU 920 Cb -0.10 -2.26 0.09 0.00 0.03 0.00 0.00 46.19 43.95 1wok s LEU 920 CO -0.00 0.24 0.05 -0.76 0.23 0.00 0.00 176.35 176.11 1wok s LEU 921 N -1.91 3.74 0.36 1.79 1.43 -0.39 -1.60 118.68 122.10 1wok s LEU 921 Ca 0.24 -1.88 0.08 0.00 -1.03 0.00 0.00 54.13 51.54 1wok s LEU 921 Cb -0.12 -1.35 -0.05 0.00 0.03 0.00 0.00 46.19 44.71 1wok s LEU 921 CO 0.16 -0.37 0.14 -0.83 0.23 0.00 0.00 176.35 175.68 1wok s GLY 922 N 1.18 2.09 -0.35 -3.19 0.00 -0.98 -2.29 107.32 103.78 1wok s GLY 922 Ca 0.08 -1.94 -0.11 0.00 0.00 0.00 0.00 44.72 42.76 1wok s GLY 922 CO -0.13 -1.83 0.20 1.85 0.00 0.00 0.00 173.10 173.19 1wok s GLU 923 N -3.85 3.06 -0.16 2.90 2.12 0.50 -2.82 118.70 120.45 1wok s GLU 923 Ca 0.39 -0.92 -0.06 0.00 0.36 0.00 0.00 54.97 54.74 1wok s GLU 923 Cb -0.00 -3.70 -0.04 0.00 0.26 0.00 0.00 34.13 30.66 1wok s GLU 923 CO 0.22 -0.59 0.03 0.08 -0.54 0.00 0.00 175.26 174.46 1wok s VAL 924 N 1.59 4.49 -1.14 3.70 1.01 -1.10 -1.22 120.40 127.74 1wok s VAL 924 Ca 0.03 -0.15 -0.15 0.00 0.00 0.00 0.00 61.98 61.72 1wok s VAL 924 Cb -0.18 -2.99 0.16 0.00 0.00 0.00 0.00 36.38 33.37 1wok s VAL 924 CO 0.07 0.49 1.36 0.00 0.00 0.00 0.00 175.10 177.02 1wok s ALA 925 N 0.20 3.85 0.24 5.51 0.00 0.05 -3.04 121.76 128.56 1wok s ALA 925 Ca 0.02 -3.22 -0.05 0.00 0.00 0.00 0.00 51.96 48.71 1wok s ALA 925 Cb -0.13 -4.11 0.26 0.00 0.00 0.00 0.00 23.12 19.14 1wok s ALA 925 CO 0.01 -2.82 1.82 -0.07 0.00 0.00 0.00 175.76 174.70 1wok h LEU 926 N 9.89 1.01 0.00 0.00 3.38 -1.55 -3.48 115.31 124.55 1wok h LEU 926 Ca 0.28 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1wok h LEU 926 Cb 0.91 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1wok h LEU 926 CO 1.21 0.89 0.00 0.61 0.09 0.00 0.00 178.44 181.24 1wok n GLY 927 N -0.95 3.13 3.50 0.83 0.00 -0.23 -3.84 105.19 107.64 1wok n GLY 927 Ca 0.07 -0.18 -0.43 0.00 0.00 0.00 0.00 46.02 45.48 1wok n GLY 927 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1wok s ASN 928 N -4.00 6.31 0.52 1.61 0.01 -1.26 -4.70 114.94 113.43 1wok s ASN 928 Ca 0.00 -0.44 -0.18 0.00 -0.71 0.00 0.00 52.86 51.53 1wok s ASN 928 Cb 0.00 -2.34 -0.07 0.00 0.41 0.00 0.00 41.25 39.25 1wok s ASN 928 CO 0.00 -0.90 1.01 -0.04 -1.51 0.00 0.00 177.10 175.66 1wok s MET 929 N 3.02 3.78 -0.71 -0.60 -1.94 -1.26 -1.01 119.30 120.59 1wok s MET 929 Ca 0.23 1.13 -0.06 0.00 -1.71 0.00 0.00 55.69 55.28 1wok s MET 929 Cb -0.15 -2.11 0.18 0.00 2.01 0.00 0.00 34.83 34.77 1wok s MET 929 CO 0.18 -0.42 0.56 -0.47 -0.01 0.00 0.00 175.02 174.86 1wok s TYR 930 N -2.39 3.53 -0.57 -0.03 5.04 -1.19 -4.90 117.35 116.85 1wok s TYR 930 Ca 0.62 -2.53 -0.26 0.00 -2.44 0.00 0.00 57.07 52.46 1wok s TYR 930 Cb -0.13 -3.39 -0.09 0.00 0.35 0.00 0.00 41.96 38.70 1wok s TYR 930 CO 0.28 -0.88 2.45 0.39 -1.34 0.00 0.00 175.55 176.45 1wok n GLU 931 N 3.54 0.90 -4.99 4.97 4.71 -1.26 -2.96 120.64 125.55 1wok n GLU 931 Ca 0.11 -0.07 -0.32 0.00 -0.01 0.00 0.00 57.16 56.86 1wok n GLU 931 Cb 0.40 -3.26 -0.14 0.00 -1.01 0.00 0.00 31.44 27.43 1wok n GLU 931 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 1wok s LEU 932 N 12.06 2.57 -0.00 -4.62 1.43 -1.04 -4.98 118.68 124.10 1wok s LEU 932 Ca 1.02 -0.26 0.05 0.00 -1.03 0.00 0.00 54.13 53.90 1wok s LEU 932 Cb -0.28 -1.50 -0.06 0.00 0.03 0.00 0.00 46.19 44.37 1wok s LEU 932 CO 0.27 0.34 0.15 2.29 0.23 0.00 0.00 176.35 179.62 1wok n LYS 933 N 2.36 2.50 -3.76 1.70 2.85 -1.26 -0.15 118.16 122.40 1wok n LYS 933 Ca -0.17 -0.02 -0.24 0.00 -1.05 0.00 0.00 58.31 56.82 1wok n LYS 933 Cb 0.52 -0.94 -0.01 0.00 -0.65 0.00 0.00 35.03 33.95 1wok n LYS 933 CO 0.00 0.00 0.00 -3.38 -0.05 0.00 0.00 177.40 173.97 1wok s HIS 934 N -1.94 1.91 -0.09 5.58 -3.43 -1.26 -2.02 115.29 114.04 1wok s HIS 934 Ca -0.00 -0.74 -0.05 0.00 -0.80 0.00 0.00 55.06 53.47 1wok s HIS 934 Cb 0.03 -2.00 -0.04 0.00 -1.43 0.00 0.00 32.58 29.14 1wok s HIS 934 CO 0.19 -0.41 0.11 0.00 -2.00 0.00 0.00 174.74 172.63 1wok s ALA 935 N -2.69 3.75 -0.01 -1.38 0.00 -1.26 -4.98 121.76 115.20 1wok s ALA 935 Ca 0.40 -0.70 -0.19 0.00 0.00 0.00 0.00 51.96 51.46 1wok s ALA 935 Cb -0.02 -1.84 0.04 0.00 0.00 0.00 0.00 23.12 21.30 1wok s ALA 935 CO 0.24 0.63 0.42 -1.54 0.00 0.00 0.00 175.76 175.52 1wok s SER 936 N -1.16 -0.32 -1.09 0.00 1.04 -1.13 -5.09 113.70 105.95 1wok s SER 936 Ca 0.17 0.20 -0.05 0.00 0.48 0.00 0.00 55.95 56.74 1wok s SER 936 Cb -0.12 0.39 0.30 0.00 0.10 0.00 0.00 66.02 66.69 1wok s SER 936 CO 0.06 -0.55 1.36 1.41 0.98 0.00 0.00 173.24 176.50 1wok n HIS 937 N 0.97 3.21 -1.49 5.02 8.25 -1.26 -3.69 115.22 126.24 1wok n HIS 937 Ca -0.20 -3.02 -0.52 0.00 -0.26 0.00 0.00 57.72 53.72 1wok n HIS 937 Cb 0.57 -1.39 -0.05 0.00 1.12 0.00 0.00 29.99 30.25 1wok n HIS 937 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1wok n ILE 938 N 1.73 1.02 0.00 1.59 2.08 -1.26 -4.64 119.36 119.88 1wok n ILE 938 Ca 0.25 -0.26 0.00 0.00 0.56 0.00 0.00 62.75 63.31 1wok n ILE 938 Cb 0.35 -0.24 0.00 0.00 -0.75 0.00 0.00 39.64 39.00 1wok n ILE 938 CO 0.00 0.00 0.00 -1.54 0.56 0.00 0.00 176.55 175.57 1wok n SER 939 N 1.81 2.68 -4.18 4.38 3.41 -1.26 -4.27 113.62 116.19 1wok n SER 939 Ca 0.18 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.66 1wok n SER 939 Cb 0.19 0.17 -0.10 0.00 -0.26 0.00 0.00 64.21 64.21 1wok n SER 939 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 1wok s LYS 940 N -1.58 0.85 0.15 4.33 -2.85 -1.26 -5.11 119.74 114.27 1wok s LYS 940 Ca 0.00 -1.26 0.07 0.00 -1.00 0.00 0.00 55.97 53.78 1wok s LYS 940 Cb 0.00 -0.36 -0.04 0.00 -2.06 0.00 0.00 37.83 35.36 1wok s LYS 940 CO 0.00 0.03 -0.01 -1.17 0.10 0.00 0.00 175.35 174.30 1wok s LEU 941 N -2.79 3.31 0.59 2.77 2.96 -1.26 -5.11 118.68 119.15 1wok s LEU 941 Ca 0.09 -0.36 -0.16 0.00 -0.22 0.00 0.00 54.13 53.48 1wok s LEU 941 Cb 0.01 -1.99 -0.04 0.00 0.50 0.00 0.00 46.19 44.67 1wok s LEU 941 CO -0.02 0.11 1.07 -2.84 -1.32 0.00 0.00 176.35 173.35 1wok s PRO 942 N -2.75 3.28 0.65 0.98 0.02 -1.26 -4.97 135.00 130.96 1wok s PRO 942 Ca 0.26 1.29 -0.17 0.00 0.02 0.00 0.00 61.00 62.41 1wok s PRO 942 Cb -0.10 -2.02 -0.06 0.00 0.02 0.00 0.00 34.50 32.34 1wok s PRO 942 CO 0.18 -0.85 0.56 1.17 -0.33 0.00 0.00 177.00 177.72 1wok n LYS 943 N -1.91 0.44 0.00 5.54 0.00 -1.26 -1.82 118.16 119.15 1wok n LYS 943 Ca 0.09 0.18 0.00 0.00 0.00 0.00 0.00 58.31 58.59 1wok n LYS 943 Cb 0.52 -1.80 0.00 0.00 0.00 0.00 0.00 35.03 33.76 1wok n LYS 943 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1wok n GLY 944 N 1.69 1.10 3.77 3.14 0.00 -1.26 -4.93 105.19 108.70 1wok n GLY 944 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 1wok n GLY 944 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wok s LYS 945 N 0.00 4.29 -0.07 1.61 -0.14 -0.75 -4.39 119.74 120.28 1wok s LYS 945 Ca 0.00 1.98 0.13 0.00 -1.36 0.00 0.00 55.97 56.71 1wok s LYS 945 Cb 0.00 -2.93 0.25 0.00 -1.68 0.00 0.00 37.83 33.46 1wok s LYS 945 CO 0.00 -0.16 1.12 0.72 -0.76 0.00 0.00 175.35 176.27 1wok n HIS 946 N 0.58 0.00 -3.60 3.18 8.25 -0.18 -4.85 115.22 118.61 1wok n HIS 946 Ca 0.02 -0.62 0.00 0.00 -0.26 0.00 0.00 57.72 56.85 1wok n HIS 946 Cb 0.44 -0.13 0.00 0.00 1.12 0.00 0.00 29.99 31.42 1wok n HIS 946 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1wok n SER 947 N -0.43 0.00 -3.67 0.41 3.41 -1.23 -4.61 113.62 107.50 1wok n SER 947 Ca 0.09 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.56 1wok n SER 947 Cb 0.79 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.66 1wok n SER 947 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1wok s VAL 948 N -3.00 0.00 -0.19 -3.33 1.01 -1.10 -3.15 120.40 110.64 1wok s VAL 948 Ca 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 61.98 61.95 1wok s VAL 948 Cb 0.00 -0.80 0.05 0.00 0.00 0.00 0.00 36.38 35.63 1wok s VAL 948 CO 0.00 -0.02 -0.04 -0.75 0.00 0.00 0.00 175.10 174.29 1wok s LYS 949 N 0.05 1.39 0.18 2.72 2.20 -1.16 -2.33 119.74 122.80 1wok s LYS 949 Ca -0.02 -0.67 -0.30 0.00 -0.36 0.00 0.00 55.97 54.62 1wok s LYS 949 Cb -0.04 -2.24 -0.08 0.00 -1.51 0.00 0.00 37.83 33.97 1wok s LYS 949 CO 0.02 -0.52 1.19 0.20 -0.36 0.00 0.00 175.35 175.88 1wok s GLY 950 N 1.58 2.68 0.06 5.54 0.00 -0.79 -2.49 107.32 113.90 1wok s GLY 950 Ca -0.02 0.94 -0.18 0.00 0.00 0.00 0.00 44.72 45.46 1wok s GLY 950 CO -0.07 1.85 0.53 1.08 0.00 0.00 0.00 173.10 176.48 1wok s LEU 951 N -0.22 4.51 0.25 0.66 1.43 0.78 -3.01 118.68 123.08 1wok s LEU 951 Ca 0.53 1.19 0.06 0.00 -1.03 0.00 0.00 54.13 54.88 1wok s LEU 951 Cb -0.32 -2.84 -0.05 0.00 0.03 0.00 0.00 46.19 43.01 1wok s LEU 951 CO 0.36 0.28 -0.07 -0.83 0.23 0.00 0.00 176.35 176.32 1wok s GLY 952 N -1.12 1.65 0.32 -3.19 0.00 -1.26 -4.28 107.32 99.43 1wok s GLY 952 Ca 0.28 -1.80 0.02 0.00 0.00 0.00 0.00 44.72 43.22 1wok s GLY 952 CO 0.18 -1.78 1.92 0.50 0.00 0.00 0.00 173.10 173.92 1wok h LYS 953 N 2.40 0.92 -6.09 2.90 1.79 -1.42 -3.42 116.57 113.65 1wok h LYS 953 Ca -0.39 -0.06 -0.56 0.00 -2.18 0.00 0.00 60.65 57.47 1wok h LYS 953 Cb 1.23 -0.21 -0.09 0.00 -1.58 0.00 0.00 32.23 31.58 1wok h LYS 953 CO 0.65 0.61 -0.58 0.99 -1.08 0.00 0.00 179.45 180.04 1wok s THR 954 N -5.84 2.99 -0.17 -0.16 2.01 -1.03 -0.39 115.64 113.05 1wok s THR 954 Ca -0.11 -1.80 -0.32 0.00 0.31 0.00 0.00 61.69 59.76 1wok s THR 954 Cb 0.20 -2.91 0.14 0.00 0.01 0.00 0.00 72.50 69.94 1wok s THR 954 CO 0.79 -0.22 1.14 0.28 -0.69 0.00 0.00 174.62 175.92 1wok s THR 955 N -2.43 0.00 0.55 -0.82 -1.32 0.19 -4.15 115.64 107.66 1wok s THR 955 Ca 0.36 0.00 -0.21 0.00 -1.21 0.00 0.00 61.69 60.62 1wok s THR 955 Cb -0.02 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 69.92 1wok s THR 955 CO 0.21 0.00 1.34 -2.84 -2.21 0.00 0.00 174.62 171.12 1wok s PRO 956 N -2.10 3.13 0.09 7.08 0.02 -1.26 0.23 135.00 142.18 1wok s PRO 956 Ca 0.07 2.18 -0.31 0.00 0.02 0.00 0.00 61.00 62.96 1wok s PRO 956 Cb -0.01 -2.22 -0.09 0.00 0.02 0.00 0.00 34.50 32.20 1wok s PRO 956 CO -0.05 -1.18 1.75 0.34 -0.33 0.00 0.00 177.00 177.53 1wok s ASP 957 N -1.04 6.51 0.18 2.53 -1.08 -0.02 -4.65 116.67 119.10 1wok s ASP 957 Ca 0.72 2.61 -0.10 0.00 -0.52 0.00 0.00 52.55 55.26 1wok s ASP 957 Cb -0.39 -2.56 0.08 0.00 -1.46 0.00 0.00 42.92 38.59 1wok s ASP 957 CO 0.46 -0.95 1.69 1.55 0.52 0.00 0.00 175.17 178.44 1wok h PRO 958 N 8.63 1.00 0.00 4.34 0.13 -1.90 -2.72 132.00 141.49 1wok h PRO 958 Ca -0.44 -0.24 0.00 0.00 -0.87 0.00 0.00 66.00 64.45 1wok h PRO 958 Cb 1.21 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1wok h PRO 958 CO 0.94 0.91 0.00 -1.13 -0.23 0.00 0.00 178.00 178.49 1wok n SER 959 N -4.33 0.00 -0.18 1.44 3.41 -1.26 -2.08 113.62 110.63 1wok n SER 959 Ca 0.04 -1.03 0.08 0.00 -0.26 0.00 0.00 58.87 57.69 1wok n SER 959 Cb 0.24 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.15 1wok n SER 959 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wok n ALA 960 N -0.65 3.60 -1.67 7.33 0.00 -1.02 -4.99 120.51 123.10 1wok n ALA 960 Ca 0.04 -0.48 -0.44 0.00 0.00 0.00 0.00 53.44 52.56 1wok n ALA 960 Cb 0.02 -0.56 -0.04 0.00 0.00 0.00 0.00 19.45 18.88 1wok n ALA 960 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1wok n ASN 961 N -0.76 3.96 -2.41 0.00 4.13 -0.88 -4.28 115.26 115.02 1wok n ASN 961 Ca 0.05 0.93 -0.03 0.00 1.68 0.00 0.00 54.58 57.20 1wok n ASN 961 Cb 0.29 -1.48 0.01 0.00 -1.54 0.00 0.00 39.78 37.05 1wok n ASN 961 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 1wok n ILE 962 N 5.39 0.00 -3.71 2.41 5.41 -1.00 -4.95 119.36 122.92 1wok n ILE 962 Ca 0.21 -0.28 -0.11 0.00 1.00 0.00 0.00 62.75 63.56 1wok n ILE 962 Cb 0.37 -0.76 -0.11 0.00 -0.71 0.00 0.00 39.64 38.43 1wok n ILE 962 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 1wok s SER 963 N -1.48 -0.46 -0.24 4.38 0.15 -1.26 -2.08 113.70 112.71 1wok s SER 963 Ca 0.07 0.81 -0.00 0.00 0.70 0.00 0.00 55.95 57.53 1wok s SER 963 Cb -0.01 0.71 0.03 0.00 -1.71 0.00 0.00 66.02 65.05 1wok s SER 963 CO 0.04 -0.18 -0.09 -0.22 1.20 0.00 0.00 173.24 174.00 1wok s LEU 964 N 1.21 3.12 -1.29 3.45 0.20 -1.20 -4.59 118.68 119.58 1wok s LEU 964 Ca -0.08 -0.97 0.00 0.00 0.69 0.00 0.00 54.13 53.77 1wok s LEU 964 Cb -0.08 -1.61 0.00 0.00 -0.43 0.00 0.00 46.19 44.07 1wok s LEU 964 CO -0.10 -0.13 0.00 0.47 -0.29 0.00 0.00 176.35 176.30 1wok n ASP 965 N 4.61 -5.52 0.00 3.68 8.00 -1.26 -3.29 116.55 122.77 1wok n ASP 965 Ca -0.16 0.30 0.00 0.00 0.71 0.00 0.00 54.79 55.64 1wok n ASP 965 Cb 0.46 -4.09 0.00 0.00 -0.02 0.00 0.00 41.12 37.47 1wok n ASP 965 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wok n GLY 966 N -0.08 2.14 1.80 0.44 0.00 -1.26 -5.06 105.19 103.16 1wok n GLY 966 Ca -0.12 -0.75 -0.32 0.00 0.00 0.00 0.00 46.02 44.84 1wok n GLY 966 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1wok n VAL 967 N 0.00 0.00 -2.17 1.61 0.31 -1.21 -4.77 118.33 112.10 1wok n VAL 967 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.91 1wok n VAL 967 Cb 0.00 -0.13 -0.03 0.00 -0.91 0.00 0.00 33.84 32.78 1wok n VAL 967 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1wok s ASP 968 N 0.75 6.81 -0.22 4.52 1.11 -0.53 -3.25 116.67 125.86 1wok s ASP 968 Ca 0.49 2.18 -0.02 0.00 0.18 0.00 0.00 52.55 55.38 1wok s ASP 968 Cb -0.69 -2.56 0.01 0.00 1.07 0.00 0.00 42.92 40.75 1wok s ASP 968 CO 0.35 -0.74 -0.09 -0.69 1.18 0.00 0.00 175.17 175.17 1wok s VAL 969 N 2.40 2.85 -1.42 -1.27 1.01 -0.88 -2.97 120.40 120.11 1wok s VAL 969 Ca 0.65 -0.84 -0.09 0.00 0.00 0.00 0.00 61.98 61.71 1wok s VAL 969 Cb -0.33 -2.35 -0.10 0.00 0.00 0.00 0.00 36.38 33.61 1wok s VAL 969 CO 0.27 0.35 3.01 -2.65 0.00 0.00 0.00 175.10 176.08 1wok n PRO 970 N 4.70 3.56 -0.15 2.72 -0.02 -1.26 -2.36 135.00 142.19 1wok n PRO 970 Ca -0.18 -2.14 0.02 0.00 -2.02 0.00 0.00 63.50 59.17 1wok n PRO 970 Cb 0.49 -2.70 0.08 0.00 -0.02 0.00 0.00 33.50 31.35 1wok n PRO 970 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 1wok n LEU 971 N 3.33 1.59 -4.68 2.45 -0.00 -1.26 -4.83 117.00 113.60 1wok n LEU 971 Ca 0.74 -0.80 -0.43 0.00 -0.00 0.00 0.00 56.01 55.52 1wok n LEU 971 Cb 0.31 -0.39 -0.02 0.00 -0.00 0.00 0.00 43.42 43.32 1wok n LEU 971 CO 0.76 0.29 0.90 -0.83 -0.00 0.00 0.00 177.39 178.51 1wok s GLY 972 N -0.45 2.05 0.19 1.47 0.00 -1.26 -4.80 107.32 104.52 1wok s GLY 972 Ca 0.11 0.39 -0.23 0.00 0.00 0.00 0.00 44.72 44.99 1wok s GLY 972 CO 0.05 2.13 0.41 -0.37 0.00 0.00 0.00 173.10 175.31 1wok n THR 973 N 4.86 1.60 -1.56 0.90 5.66 -1.26 -2.14 114.28 122.33 1wok n THR 973 Ca 0.11 -0.43 -0.46 0.00 -3.05 0.00 0.00 64.05 60.22 1wok n THR 973 Cb 0.47 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.23 1wok n THR 973 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1wok n GLY 974 N 1.74 -0.41 3.09 1.09 0.00 -1.26 -0.84 105.19 108.60 1wok n GLY 974 Ca 0.15 0.37 -0.09 0.00 0.00 0.00 0.00 46.02 46.44 1wok n GLY 974 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1wok s ILE 975 N -0.90 0.38 -0.16 -0.61 1.10 0.62 -4.73 121.20 116.91 1wok s ILE 975 Ca 0.62 -1.58 -0.26 0.00 -0.51 0.00 0.00 60.65 58.92 1wok s ILE 975 Cb -0.76 -1.21 -0.01 0.00 0.15 0.00 0.00 42.46 40.62 1wok s ILE 975 CO 0.58 -0.79 0.85 -0.55 -2.11 0.00 0.00 174.94 172.92 1wok s SER 976 N -2.51 7.00 0.54 4.50 0.15 -1.26 0.57 113.70 122.69 1wok s SER 976 Ca 0.02 1.22 -0.11 0.00 0.70 0.00 0.00 55.95 57.78 1wok s SER 976 Cb 0.02 -2.47 -0.05 0.00 -1.71 0.00 0.00 66.02 61.81 1wok s SER 976 CO -0.05 -0.40 0.93 -0.94 1.20 0.00 0.00 173.24 173.98 1wok s SER 977 N 1.13 6.35 -0.14 5.45 1.04 0.47 -4.90 113.70 123.11 1wok s SER 977 Ca 0.40 1.30 0.00 0.00 0.48 0.00 0.00 55.95 58.13 1wok s SER 977 Cb -0.17 -2.41 0.13 0.00 0.10 0.00 0.00 66.02 63.67 1wok s SER 977 CO 0.13 -0.69 1.66 0.61 0.98 0.00 0.00 173.24 175.94 1wok n GLY 978 N -2.22 3.00 2.69 7.32 0.00 -1.26 -4.48 105.19 110.23 1wok n GLY 978 Ca 0.04 -0.43 -0.28 0.00 0.00 0.00 0.00 46.02 45.36 1wok n GLY 978 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wok s VAL 979 N -1.00 1.82 -0.46 1.61 1.01 -1.26 -5.07 120.40 117.06 1wok s VAL 979 Ca 0.15 -3.59 -0.03 0.00 0.00 0.00 0.00 61.98 58.51 1wok s VAL 979 Cb 0.12 -2.21 0.12 0.00 0.00 0.00 0.00 36.38 34.41 1wok s VAL 979 CO 0.01 -1.10 0.26 0.54 0.00 0.00 0.00 175.10 174.81 1wok s ASN 980 N -0.81 5.29 0.00 3.32 4.22 -1.26 -4.30 114.94 121.39 1wok s ASN 980 Ca 0.28 -2.19 0.00 0.00 -2.14 0.00 0.00 52.86 48.81 1wok s ASN 980 Cb -0.01 -1.85 0.00 0.00 1.28 0.00 0.00 41.25 40.67 1wok s ASN 980 CO -0.18 -0.52 0.00 -0.90 -2.04 0.00 0.00 177.10 173.46 1wok n ASP 981 N 4.40 0.00 -4.44 3.54 5.75 -1.26 -5.14 116.55 119.39 1wok n ASP 981 Ca -0.01 0.00 -0.39 0.00 -0.01 0.00 0.00 54.79 54.39 1wok n ASP 981 Cb 0.41 0.00 0.03 0.00 -1.03 0.00 0.00 41.12 40.53 1wok n ASP 981 CO 0.00 0.00 0.00 1.07 -0.11 0.00 0.00 177.20 178.16 1wok n THR 982 N 0.00 1.94 0.49 2.12 5.66 -1.26 -4.93 114.28 118.30 1wok n THR 982 Ca 0.00 -0.50 -0.20 0.00 -3.05 0.00 0.00 64.05 60.30 1wok n THR 982 Cb 0.00 -0.60 -0.10 0.00 -1.55 0.00 0.00 70.33 68.09 1wok n THR 982 CO 0.00 0.00 0.00 0.77 -3.05 0.00 0.00 175.07 172.79 1wok h SER 983 N 0.32 -1.15 -2.23 1.09 4.64 -1.69 -3.45 113.55 111.07 1wok h SER 983 Ca -0.44 0.05 -0.61 0.00 -0.47 0.00 0.00 61.79 60.32 1wok h SER 983 Cb 1.40 0.31 0.07 0.00 -0.31 0.00 0.00 62.40 63.87 1wok h SER 983 CO 0.47 -0.78 0.62 0.18 -0.87 0.00 0.00 176.83 176.46 1wok n LEU 984 N -5.54 2.65 0.11 5.97 4.77 -1.26 -4.92 117.00 118.78 1wok n LEU 984 Ca -0.16 1.11 0.12 0.00 -0.03 0.00 0.00 56.01 57.06 1wok n LEU 984 Cb 0.51 -1.36 0.28 0.00 -2.33 0.00 0.00 43.42 40.52 1wok n LEU 984 CO 0.38 -0.60 0.68 -0.07 -1.33 0.00 0.00 177.39 176.44 1wok h LEU 985 N 4.92 0.00 -7.86 2.23 -0.00 -1.87 -2.56 115.31 110.17 1wok h LEU 985 Ca -0.45 -0.06 -0.09 0.00 -0.00 0.00 0.00 57.88 57.28 1wok h LEU 985 Cb 1.29 0.00 -0.13 0.00 -0.00 0.00 0.00 40.66 41.81 1wok h LEU 985 CO 0.81 0.03 -0.33 -0.31 -0.00 0.00 0.00 178.44 178.64 1wok s TYR 986 N -3.15 0.19 1.10 1.13 2.02 -1.26 -2.48 117.35 114.90 1wok s TYR 986 Ca 0.08 -0.60 -0.12 0.00 -0.37 0.00 0.00 57.07 56.06 1wok s TYR 986 Cb 0.11 -0.03 0.25 0.00 -0.40 0.00 0.00 41.96 41.89 1wok s TYR 986 CO 0.65 -0.61 1.05 -0.80 -1.57 0.00 0.00 175.55 174.27 1wok s ASN 987 N -2.89 1.60 0.02 2.29 0.01 -1.26 -4.26 114.94 110.44 1wok s ASN 987 Ca 0.09 1.45 -0.28 0.00 -0.71 0.00 0.00 52.86 53.40 1wok s ASN 987 Cb 0.04 -2.18 0.07 0.00 0.41 0.00 0.00 41.25 39.59 1wok s ASN 987 CO -0.08 -3.81 0.65 -1.61 -1.51 0.00 0.00 177.10 170.75 1wok s GLU 988 N -4.63 1.13 -0.01 -0.60 2.02 -1.16 -4.65 118.70 110.79 1wok s GLU 988 Ca 0.67 0.01 0.00 0.00 0.02 0.00 0.00 54.97 55.68 1wok s GLU 988 Cb -0.23 0.53 0.01 0.00 0.10 0.00 0.00 34.13 34.54 1wok s GLU 988 CO 0.62 -0.41 -0.00 0.71 0.02 0.00 0.00 175.26 176.20 1wok s TYR 989 N -2.05 0.17 -0.03 1.61 1.51 -0.84 -1.89 117.35 115.82 1wok s TYR 989 Ca -0.07 0.01 0.00 0.00 -1.01 0.00 0.00 57.07 56.01 1wok s TYR 989 Cb -0.00 -0.21 0.03 0.00 -0.11 0.00 0.00 41.96 41.66 1wok s TYR 989 CO 0.02 -0.06 -0.01 0.42 -1.11 0.00 0.00 175.55 174.82 1wok s ILE 990 N 0.48 0.23 0.20 2.71 1.09 -0.98 -0.66 121.20 124.27 1wok s ILE 990 Ca -0.04 0.06 0.09 0.00 -1.10 0.00 0.00 60.65 59.65 1wok s ILE 990 Cb -0.07 -0.32 -0.04 0.00 -1.06 0.00 0.00 42.46 40.97 1wok s ILE 990 CO -0.01 0.16 -0.07 0.68 -0.10 0.00 0.00 174.94 175.60 1wok s VAL 991 N 1.05 3.30 -0.46 2.92 -7.23 -1.01 -2.71 120.40 116.25 1wok s VAL 991 Ca -0.09 -1.68 0.09 0.00 -1.81 0.00 0.00 61.98 58.48 1wok s VAL 991 Cb -0.14 -2.66 0.24 0.00 0.56 0.00 0.00 36.38 34.38 1wok s VAL 991 CO -0.02 -0.16 1.19 -1.22 -0.31 0.00 0.00 175.10 174.58 1wok n TYR 992 N -0.16 0.34 -4.62 2.82 4.02 -1.26 -2.09 117.16 116.21 1wok n TYR 992 Ca -0.10 -0.60 -0.24 0.00 -0.01 0.00 0.00 57.90 56.95 1wok n TYR 992 Cb 0.56 -0.08 -0.16 0.00 -0.02 0.00 0.00 39.34 39.63 1wok n TYR 992 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1wok s ASP 993 N -1.29 1.80 0.55 7.72 2.15 -1.26 -5.02 116.67 121.32 1wok s ASP 993 Ca 0.19 -0.30 0.35 0.00 0.43 0.00 0.00 52.55 53.23 1wok s ASP 993 Cb 0.13 -0.73 1.62 0.00 -0.30 0.00 0.00 42.92 43.64 1wok s ASP 993 CO 0.09 0.06 2.06 0.16 -0.17 0.00 0.00 175.17 177.37 1wok h ILE 994 N 5.75 0.00 -0.00 4.11 -2.65 -1.91 -3.09 117.51 119.71 1wok h ILE 994 Ca -0.31 -0.33 0.00 0.00 1.03 0.00 0.00 64.86 65.25 1wok h ILE 994 Cb 1.18 1.28 0.00 0.00 -2.05 0.00 0.00 36.82 37.23 1wok h ILE 994 CO 0.48 0.00 0.00 0.00 0.03 0.00 0.00 178.15 178.66 1wok n ALA 995 N -2.05 2.67 1.63 0.16 0.00 -1.26 -3.39 120.51 118.27 1wok n ALA 995 Ca -0.00 -0.18 0.14 0.00 0.00 0.00 0.00 53.44 53.40 1wok n ALA 995 Cb 0.22 -1.45 0.63 0.00 0.00 0.00 0.00 19.45 18.86 1wok n ALA 995 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1wok n GLN 996 N -0.93 1.48 -4.88 0.00 6.02 -1.17 -4.40 117.38 113.50 1wok n GLN 996 Ca 0.21 -0.70 -0.31 0.00 -0.01 0.00 0.00 57.00 56.19 1wok n GLN 996 Cb 0.10 -1.48 -0.14 0.00 1.02 0.00 0.00 30.24 29.74 1wok n GLN 996 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1wok s VAL 997 N -1.99 2.64 -0.30 5.09 0.11 -1.22 -0.77 120.40 123.96 1wok s VAL 997 Ca 0.40 -1.07 -0.02 0.00 -2.93 0.00 0.00 61.98 58.36 1wok s VAL 997 Cb 0.21 -2.05 0.12 0.00 -1.53 0.00 0.00 36.38 33.13 1wok s VAL 997 CO 0.34 0.46 0.20 0.21 -3.33 0.00 0.00 175.10 172.98 1wok s ASN 998 N -1.06 2.77 0.30 3.54 3.84 -0.35 -4.90 114.94 119.06 1wok s ASN 998 Ca 0.13 -1.18 -0.30 0.00 0.21 0.00 0.00 52.86 51.72 1wok s ASN 998 Cb -0.10 -0.02 -0.11 0.00 -0.55 0.00 0.00 41.25 40.46 1wok s ASN 998 CO 0.02 -0.41 1.61 -0.76 -2.79 0.00 0.00 177.10 174.77 1wok s LEU 999 N 2.09 4.34 0.07 3.21 1.43 -1.26 -0.37 118.68 128.19 1wok s LEU 999 Ca 0.10 2.98 0.00 0.00 -1.03 0.00 0.00 54.13 56.18 1wok s LEU 999 Cb -0.16 -3.64 0.00 0.00 0.03 0.00 0.00 46.19 42.43 1wok s LEU 999 CO -0.32 -0.93 0.00 0.29 0.23 0.00 0.00 176.35 175.62 1wok n LYS 1000N 2.14 0.00 -4.62 1.70 4.76 -0.99 -4.59 118.16 116.57 1wok n LYS 1000Ca 0.08 0.00 -0.34 0.00 -2.87 0.00 0.00 58.31 55.19 1wok n LYS 1000Cb 0.37 -0.27 -0.12 0.00 -1.84 0.00 0.00 35.03 33.17 1wok n LYS 1000CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1wok s TYR 1001N -1.59 2.93 -0.20 2.13 2.02 -0.97 0.33 117.35 122.00 1wok s TYR 1001Ca 0.00 -0.13 0.00 0.00 -0.37 0.00 0.00 57.07 56.57 1wok s TYR 1001Cb 0.00 -1.77 0.02 0.00 -0.40 0.00 0.00 41.96 39.81 1wok s TYR 1001CO 0.00 0.18 -0.17 -1.17 -1.57 0.00 0.00 175.55 172.83 1wok s LEU 1002N -0.43 2.39 0.50 -1.29 1.98 -0.65 -1.26 118.68 119.93 1wok s LEU 1002Ca 0.06 -0.69 0.00 0.00 -2.89 0.00 0.00 54.13 50.61 1wok s LEU 1002Cb -0.12 -1.53 0.01 0.00 0.66 0.00 0.00 46.19 45.22 1wok s LEU 1002CO 0.02 -0.03 0.73 -0.76 -1.89 0.00 0.00 176.35 174.43 1wok s LEU 1003N 1.30 3.45 -0.36 -0.68 1.02 -0.47 -1.31 118.68 121.64 1wok s LEU 1003Ca 0.04 0.17 0.01 0.00 0.02 0.00 0.00 54.13 54.37 1wok s LEU 1003Cb -0.14 -3.05 0.15 0.00 0.02 0.00 0.00 46.19 43.17 1wok s LEU 1003CO -0.11 -0.93 0.27 -0.75 0.02 0.00 0.00 176.35 174.86 1wok s LYS 1004N -4.68 0.58 0.22 1.70 2.36 -0.71 -3.41 119.74 115.81 1wok s LYS 1004Ca 0.53 -1.15 0.10 0.00 -2.55 0.00 0.00 55.97 52.89 1wok s LYS 1004Cb -0.10 -1.08 -0.04 0.00 -1.05 0.00 0.00 37.83 35.55 1wok s LYS 1004CO 0.39 -1.21 -0.12 -0.48 1.55 0.00 0.00 175.35 175.48 1wok s LEU 1005N 1.20 2.87 -0.22 5.43 0.05 -0.81 -0.01 118.68 127.19 1wok s LEU 1005Ca 0.18 -0.72 0.00 0.00 0.05 0.00 0.00 54.13 53.64 1wok s LEU 1005Cb -0.20 -1.49 0.03 0.00 -2.05 0.00 0.00 46.19 42.48 1wok s LEU 1005CO -0.00 0.07 -0.12 -1.59 -0.55 0.00 0.00 176.35 174.15 1wok s LYS 1006N -3.12 2.78 0.55 1.48 0.00 -0.74 -0.48 119.74 120.21 1wok s LYS 1006Ca 0.27 -0.99 -0.20 0.00 0.00 0.00 0.00 55.97 55.05 1wok s LYS 1006Cb -0.07 -2.81 -0.05 0.00 0.00 0.00 0.00 37.83 34.89 1wok s LYS 1006CO 0.15 -0.36 1.18 -0.06 0.00 0.00 0.00 175.35 176.27 1wok s PHE 1007N 1.27 2.54 -0.44 1.78 0.40 0.12 -3.73 117.98 119.92 1wok s PHE 1007Ca 0.00 1.52 0.02 0.00 -0.60 0.00 0.00 56.93 57.87 1wok s PHE 1007Cb -0.16 -3.42 0.13 0.00 0.51 0.00 0.00 43.02 40.07 1wok s PHE 1007CO -0.08 -1.95 0.22 -0.80 0.70 0.00 0.00 175.22 173.31 1wok s ASN 1008N -1.58 3.91 0.76 1.36 0.01 -0.82 -4.80 114.94 113.78 1wok s ASN 1008Ca 0.74 -2.59 -0.11 0.00 -0.71 0.00 0.00 52.86 50.19 1wok s ASN 1008Cb -0.29 -1.19 0.05 0.00 0.41 0.00 0.00 41.25 40.23 1wok s ASN 1008CO 0.32 -0.28 1.08 -0.36 -1.51 0.00 0.00 177.10 176.35 1wok s PHE 1009N 0.36 2.69 -0.37 2.20 0.40 -1.26 -1.92 117.98 120.07 1wok s PHE 1009Ca 0.16 1.51 0.12 0.00 -0.60 0.00 0.00 56.93 58.12 1wok s PHE 1009Cb -0.24 -3.01 0.44 0.00 0.51 0.00 0.00 43.02 40.72 1wok s PHE 1009CO -0.02 -1.69 1.03 1.63 0.70 0.00 0.00 175.22 176.87 1wok n LYS 1010N -3.45 2.25 0.00 0.44 4.76 -0.96 -4.92 118.16 116.28 1wok n LYS 1010Ca 0.09 -3.85 0.11 0.00 -2.87 0.00 0.00 58.31 51.79 1wok n LYS 1010Cb 0.53 -1.73 0.09 0.00 -1.84 0.00 0.00 35.03 32.08 1wok n LYS 1010CO 0.00 0.00 0.00 -2.37 -1.37 0.00 0.00 177.40 173.66