#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 -0.00 0.00 4.39 0.15 -1.26 0.21 113.70 117.19 1wok s SER 663 Ca 0.00 -0.42 0.00 0.00 0.70 0.00 0.00 55.95 56.23 1wok s SER 663 Cb 0.00 0.32 0.00 0.00 -1.71 0.00 0.00 66.02 64.63 1wok s SER 663 CO 0.00 -0.63 0.00 2.29 1.20 0.00 0.00 173.24 176.10 1wok n LYS 664 N -0.77 0.00 -1.51 5.44 -0.00 -1.26 -5.06 118.16 115.00 1wok n LYS 664 Ca -0.00 0.00 -0.51 0.00 -0.00 0.00 0.00 58.31 57.80 1wok n LYS 664 Cb 0.59 0.00 -0.05 0.00 -0.00 0.00 0.00 35.03 35.58 1wok n LYS 664 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1wok n LEU 665 N -0.23 0.35 -4.35 -5.58 7.99 -1.26 -4.87 117.00 109.06 1wok n LEU 665 Ca 0.00 1.15 -0.33 0.00 -0.01 0.00 0.00 56.01 56.81 1wok n LEU 665 Cb 0.00 -1.07 0.11 0.00 -0.11 0.00 0.00 43.42 42.35 1wok n LEU 665 CO 0.00 -1.95 -0.30 -2.65 -1.51 0.00 0.00 177.39 170.98 1wok n PRO 666 N 1.41 -0.25 -0.19 3.23 -0.02 -1.26 -4.58 135.00 133.34 1wok n PRO 666 Ca 0.17 -0.04 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 1wok n PRO 666 Cb 0.21 -1.72 0.10 0.00 -0.02 0.00 0.00 33.50 32.07 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 -1.48 0.23 -0.38 -0.52 3.64 -2.00 -0.80 116.57 115.27 1wok h LYS 667 Ca -0.44 -0.01 0.06 0.00 -1.27 0.00 0.00 60.65 58.99 1wok h LYS 667 Cb 1.29 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 33.03 1wok h LYS 667 CO 0.32 0.15 0.26 -1.35 -2.27 0.00 0.00 179.45 176.56 1wok h PRO 668 N 0.24 0.27 -0.23 1.90 0.11 -1.98 -1.19 132.00 131.12 1wok h PRO 668 Ca 0.30 -0.02 -0.17 0.00 0.11 0.00 0.00 66.00 66.22 1wok h PRO 668 Cb 0.44 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 31.49 1wok h PRO 668 CO -0.40 0.18 -0.55 0.28 -0.21 0.00 0.00 178.00 177.30 1wok h VAL 669 N 0.28 1.30 0.41 3.15 2.07 -1.47 -3.16 116.25 118.83 1wok h VAL 669 Ca 0.16 -1.77 -0.02 0.00 0.82 0.00 0.00 66.70 65.89 1wok h VAL 669 Cb 0.31 1.71 0.00 0.00 -1.52 0.00 0.00 31.29 31.79 1wok h VAL 669 CO -0.03 0.56 -0.20 1.56 0.02 0.00 0.00 177.57 179.48 1wok h GLN 670 N 0.54 -0.53 0.00 1.57 1.08 -0.83 -0.24 115.11 116.70 1wok h GLN 670 Ca 0.01 0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.25 1wok h GLN 670 Cb 1.13 0.12 0.00 0.00 -0.05 0.00 0.00 27.48 28.68 1wok h GLN 670 CO 0.11 -0.23 0.03 -0.25 -0.95 0.00 0.00 178.83 177.54 1wok n ASP 671 N -5.22 0.00 -0.03 1.46 9.92 -0.53 -1.94 116.55 120.20 1wok n ASP 671 Ca -0.10 0.05 -0.07 0.00 -0.53 0.00 0.00 54.79 54.14 1wok n ASP 671 Cb 0.28 -0.05 -0.02 0.00 -0.64 0.00 0.00 41.12 40.69 1wok n ASP 671 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 1wok n LEU 672 N -0.90 1.30 -0.35 0.64 7.94 -0.79 -4.40 117.00 120.44 1wok n LEU 672 Ca 0.00 0.20 0.33 0.00 -1.11 0.00 0.00 56.01 55.43 1wok n LEU 672 Cb 0.03 -0.47 0.69 0.00 0.53 0.00 0.00 43.42 44.19 1wok n LEU 672 CO 0.00 -0.28 1.30 0.40 -1.11 0.00 0.00 177.39 177.70 1wok h ILE 673 N -0.45 0.40 0.09 1.96 1.08 -0.38 -1.48 117.51 118.72 1wok h ILE 673 Ca -0.10 -0.03 -0.00 0.00 -0.39 0.00 0.00 64.86 64.33 1wok h ILE 673 Cb 0.72 0.29 0.00 0.00 -3.07 0.00 0.00 36.82 34.76 1wok h ILE 673 CO -0.06 0.02 -0.04 0.07 -0.69 0.00 0.00 178.15 177.44 1wok h LYS 674 N 0.10 -0.12 -1.09 2.37 5.09 -1.80 -3.17 116.57 117.95 1wok h LYS 674 Ca 0.61 0.01 0.31 0.00 0.09 0.00 0.00 60.65 61.67 1wok h LYS 674 Cb 2.17 0.03 -0.12 0.00 0.10 0.00 0.00 32.23 34.41 1wok h LYS 674 CO -0.10 0.39 0.68 0.52 -2.09 0.00 0.00 179.45 178.85 1wok h MET 675 N -0.88 0.33 -0.43 0.07 2.86 -1.49 1.05 114.93 116.44 1wok h MET 675 Ca -0.01 -0.02 -0.10 0.00 -2.06 0.00 0.00 59.70 57.51 1wok h MET 675 Cb 0.57 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.14 1wok h MET 675 CO 0.02 0.22 -0.14 0.82 1.06 0.00 0.00 176.91 178.88 1wok h ILE 676 N 0.34 1.26 -0.29 -1.22 1.08 -1.50 -3.24 117.51 113.93 1wok h ILE 676 Ca 0.68 -1.23 0.00 0.00 -0.39 0.00 0.00 64.86 63.92 1wok h ILE 676 Cb 1.74 1.09 0.00 0.00 -3.07 0.00 0.00 36.82 36.57 1wok h ILE 676 CO -0.41 0.42 0.00 0.49 -0.69 0.00 0.00 178.15 177.96 1wok n PHE 677 N -4.15 0.39 -1.55 1.37 3.72 0.16 -4.70 117.46 112.70 1wok n PHE 677 Ca 0.01 -0.39 -0.14 0.00 -0.05 0.00 0.00 57.45 56.88 1wok n PHE 677 Cb 0.39 -0.02 -0.09 0.00 -0.94 0.00 0.00 39.48 38.82 1wok n PHE 677 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1wok n ASP 678 N 0.59 1.41 0.34 4.37 4.64 0.31 -4.69 116.55 123.52 1wok n ASP 678 Ca 0.11 -1.49 0.23 0.00 -1.38 0.00 0.00 54.79 52.26 1wok n ASP 678 Cb 0.41 -1.55 1.22 0.00 -1.04 0.00 0.00 41.12 40.15 1wok n ASP 678 CO 0.00 0.00 0.00 0.58 -0.82 0.00 0.00 177.20 176.96 1wok h VAL 679 N 7.54 0.00 0.21 5.18 2.07 -1.91 -2.79 116.25 126.55 1wok h VAL 679 Ca 0.00 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 1wok h VAL 679 Cb 1.01 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.78 1wok h VAL 679 CO 1.06 0.00 -0.10 -0.08 0.02 0.00 0.00 177.57 178.47 1wok h GLU 680 N 0.00 -0.28 -0.70 1.57 4.81 -1.99 -3.27 114.58 114.72 1wok h GLU 680 Ca 0.00 0.02 0.15 0.00 -0.13 0.00 0.00 59.36 59.40 1wok h GLU 680 Cb 0.01 0.06 -0.11 0.00 0.63 0.00 0.00 28.75 29.34 1wok h GLU 680 CO 0.00 -0.19 0.10 0.77 -0.73 0.00 0.00 179.01 178.96 1wok h SER 681 N -0.37 -0.13 -0.21 1.04 0.02 -1.90 0.74 113.55 112.75 1wok h SER 681 Ca -0.03 0.16 0.06 0.00 -0.84 0.00 0.00 61.79 61.14 1wok h SER 681 Cb 0.22 0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.99 1wok h SER 681 CO 0.05 -0.08 0.76 0.24 -1.14 0.00 0.00 176.83 176.66 1wok h MET 682 N 0.20 0.00 0.00 3.45 2.86 -1.55 0.14 114.93 120.02 1wok h MET 682 Ca 0.39 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.87 1wok h MET 682 Cb 0.66 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.29 1wok h MET 682 CO -0.54 0.00 -0.92 0.87 1.06 0.00 0.00 176.91 177.38 1wok h LYS 683 N 0.00 0.00 0.00 1.72 1.57 -0.90 -3.18 116.57 115.78 1wok h LYS 683 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1wok h LYS 683 Cb 1.62 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.93 1wok h LYS 683 CO -0.00 0.82 0.31 -0.22 -0.57 0.00 0.00 179.45 179.79 1wok h LYS 684 N -1.00 0.00 0.03 3.15 3.64 -0.72 0.07 116.57 121.74 1wok h LYS 684 Ca -0.24 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.06 1wok h LYS 684 Cb 1.10 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.92 1wok h LYS 684 CO -0.14 0.00 -0.42 0.00 -2.27 0.00 0.00 179.45 176.61 1wok h ALA 685 N 1.37 0.04 0.00 5.00 0.00 -1.33 -2.79 119.26 121.55 1wok h ALA 685 Ca 0.00 -0.68 -0.01 0.00 0.00 0.00 0.00 54.91 54.22 1wok h ALA 685 Cb 0.62 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 1wok h ALA 685 CO 0.00 0.23 -0.03 0.52 0.00 0.00 0.00 179.25 179.96 1wok h MET 686 N -0.85 0.00 -0.12 0.00 2.86 -1.04 -1.25 114.93 114.54 1wok h MET 686 Ca -0.10 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.46 1wok h MET 686 Cb 1.21 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.87 1wok h MET 686 CO -0.00 0.03 -0.24 0.28 1.06 0.00 0.00 176.91 178.04 1wok h VAL 687 N 0.00 1.38 -0.98 -2.22 2.07 -1.13 -2.81 116.25 112.56 1wok h VAL 687 Ca -0.00 -1.52 0.28 0.00 0.82 0.00 0.00 66.70 66.28 1wok h VAL 687 Cb 0.12 2.06 -0.04 0.00 -1.52 0.00 0.00 31.29 31.91 1wok h VAL 687 CO 0.00 0.44 0.73 -0.33 0.02 0.00 0.00 177.57 178.44 1wok h GLU 688 N -0.04 0.00 -0.26 1.57 3.07 -0.93 0.61 114.58 118.59 1wok h GLU 688 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1wok h GLU 688 Cb 0.83 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.74 1wok h GLU 688 CO 0.05 0.00 0.00 0.66 -1.40 0.00 0.00 179.01 178.32 1wok n TYR 689 N -4.16 0.34 -2.94 4.33 4.01 -1.20 -4.94 117.16 112.61 1wok n TYR 689 Ca 0.21 -0.17 -0.11 0.00 -0.16 0.00 0.00 57.90 57.67 1wok n TYR 689 Cb 1.07 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 40.13 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 0.56 -3.63 -3.36 -0.72 1.02 0.21 -4.93 120.64 109.79 1wok n GLU 690 Ca 0.16 0.40 -0.34 0.00 -0.02 0.00 0.00 57.16 57.35 1wok n GLU 690 Cb 0.36 -4.11 -0.06 0.00 -0.02 0.00 0.00 31.44 27.62 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 -3.16 4.87 -1.26 -3.67 1.01 -1.06 0.89 121.20 118.82 1wok s ILE 691 Ca 0.21 0.72 -0.15 0.00 0.00 0.00 0.00 60.65 61.43 1wok s ILE 691 Cb -0.09 -3.69 0.13 0.00 0.01 0.00 0.00 42.46 38.82 1wok s ILE 691 CO 0.35 0.11 1.60 -0.67 0.00 0.00 0.00 174.94 176.33 1wok n ASP 692 N 0.41 5.07 -0.04 3.58 4.64 -1.23 -4.31 116.55 124.68 1wok n ASP 692 Ca -0.03 -2.96 0.00 0.00 -1.38 0.00 0.00 54.79 50.42 1wok n ASP 692 Cb 0.52 -1.63 0.00 0.00 -1.04 0.00 0.00 41.12 38.97 1wok n ASP 692 CO 0.00 0.00 0.00 -0.11 -0.82 0.00 0.00 177.20 176.27 1wok n LEU 693 N 6.56 0.00 -1.00 -2.67 7.94 -1.26 -0.25 117.00 126.32 1wok n LEU 693 Ca 0.42 0.00 0.09 0.00 -1.11 0.00 0.00 56.01 55.41 1wok n LEU 693 Cb 0.43 0.00 0.23 0.00 0.53 0.00 0.00 43.42 44.61 1wok n LEU 693 CO 0.70 0.00 0.69 0.00 -1.11 0.00 0.00 177.39 177.67 1wok n GLN 694 N -0.33 2.63 0.00 1.96 1.13 -1.26 -4.28 117.38 117.23 1wok n GLN 694 Ca 0.00 -2.29 0.00 0.00 -1.94 0.00 0.00 57.00 52.77 1wok n GLN 694 Cb 0.00 -1.42 0.00 0.00 0.11 0.00 0.00 30.24 28.93 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 1.13 0.00 -3.13 -1.09 5.02 0.65 -4.98 118.16 115.75 1wok n LYS 695 Ca 0.18 0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 56.27 1wok n LYS 695 Cb 0.52 -0.03 -0.03 0.00 -0.02 0.00 0.00 35.03 35.47 1wok n LYS 695 CO 0.00 0.00 0.00 -0.12 -0.52 0.00 0.00 177.40 176.76 1wok n MET 696 N 0.00 0.85 -2.24 1.97 1.56 -1.00 -4.99 117.12 113.28 1wok n MET 696 Ca 0.00 -3.12 -0.28 0.00 -0.27 0.00 0.00 57.70 54.04 1wok n MET 696 Cb 0.04 -1.44 0.04 0.00 2.15 0.00 0.00 33.22 34.01 1wok n MET 696 CO 0.00 0.00 0.00 -1.25 -0.73 0.00 0.00 175.97 173.99 1wok s PRO 697 N -1.53 2.88 0.56 2.12 0.04 -1.26 -4.58 135.00 133.22 1wok s PRO 697 Ca 0.36 0.13 0.34 0.00 0.04 0.00 0.00 61.00 61.88 1wok s PRO 697 Cb 0.26 -2.19 1.49 0.00 0.04 0.00 0.00 34.50 34.10 1wok s PRO 697 CO -0.10 -0.82 1.79 -0.07 0.04 0.00 0.00 177.00 177.84 1wok h LEU 698 N -0.33 0.00 -1.65 -3.56 3.38 -1.94 0.12 115.31 111.32 1wok h LEU 698 Ca -0.45 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.49 1wok h LEU 698 Cb 1.26 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.00 1wok h LEU 698 CO 0.62 0.00 -0.12 1.23 0.09 0.00 0.00 178.44 180.25 1wok h GLY 699 N 0.00 0.00 -1.21 0.83 0.00 -2.01 -3.14 103.07 97.54 1wok h GLY 699 Ca 0.49 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.77 1wok h GLY 699 CO -0.01 0.00 -0.33 0.28 0.00 0.00 0.00 176.54 176.48 1wok n LYS 700 N -3.41 1.66 -2.06 4.80 5.02 0.41 -5.03 118.16 119.55 1wok n LYS 700 Ca -0.01 -3.20 -0.27 0.00 -2.02 0.00 0.00 58.31 52.81 1wok n LYS 700 Cb 0.30 -1.67 0.08 0.00 -0.02 0.00 0.00 35.03 33.72 1wok n LYS 700 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1wok s LEU 701 N -3.20 2.67 0.00 -0.35 1.43 -1.19 -4.89 118.68 113.14 1wok s LEU 701 Ca 0.39 0.60 0.00 0.00 -1.03 0.00 0.00 54.13 54.09 1wok s LEU 701 Cb 0.37 -3.16 0.00 0.00 0.03 0.00 0.00 46.19 43.43 1wok s LEU 701 CO -0.04 -1.77 0.00 -1.54 0.23 0.00 0.00 176.35 173.23 1wok n SER 702 N -3.12 0.00 0.42 2.29 3.41 -1.26 -4.99 113.62 110.37 1wok n SER 702 Ca 0.08 0.00 -0.18 0.00 -0.26 0.00 0.00 58.87 58.51 1wok n SER 702 Cb 0.61 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.47 1wok n SER 702 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1wok h LYS 703 N 0.00 -1.11 -0.49 4.33 3.64 -1.93 -0.97 116.57 120.04 1wok h LYS 703 Ca 0.00 0.08 0.14 0.00 -1.27 0.00 0.00 60.65 59.60 1wok h LYS 703 Cb 0.00 0.25 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 1wok h LYS 703 CO 0.00 -0.74 0.78 0.00 -2.27 0.00 0.00 179.45 177.22 1wok h ARG 704 N -1.15 0.00 0.00 1.90 -0.00 -1.98 0.54 114.38 113.69 1wok h ARG 704 Ca -0.10 0.00 -0.10 0.00 -0.50 0.00 0.00 59.98 59.28 1wok h ARG 704 Cb 0.91 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.87 1wok h ARG 704 CO 0.12 0.00 -0.63 0.37 0.00 0.00 0.00 179.97 179.83 1wok h GLN 705 N 0.00 0.00 -0.98 0.04 4.15 -1.76 -3.21 115.11 113.35 1wok h GLN 705 Ca 0.23 0.00 0.15 0.00 0.77 0.00 0.00 58.65 59.80 1wok h GLN 705 Cb 1.79 0.00 -0.09 0.00 0.21 0.00 0.00 27.48 29.39 1wok h GLN 705 CO -0.00 0.69 0.59 0.82 -1.93 0.00 0.00 178.83 179.00 1wok h ILE 706 N -1.00 0.82 -0.85 2.39 2.04 0.37 0.15 117.51 121.44 1wok h ILE 706 Ca -0.15 -0.30 0.10 0.00 1.00 0.00 0.00 64.86 65.52 1wok h ILE 706 Cb 0.91 -0.12 -0.08 0.00 -0.74 0.00 0.00 36.82 36.80 1wok h ILE 706 CO -0.09 0.16 0.49 1.56 0.00 0.00 0.00 178.15 180.27 1wok h GLN 707 N 0.86 0.78 -0.09 2.37 4.20 -0.15 0.40 115.11 123.48 1wok h GLN 707 Ca 0.52 -0.05 -0.08 0.00 0.06 0.00 0.00 58.65 59.10 1wok h GLN 707 Cb 0.64 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.23 1wok h GLN 707 CO -0.32 0.51 -0.30 0.00 -0.67 0.00 0.00 178.83 178.06 1wok h ALA 708 N 1.48 1.34 0.08 3.87 0.00 -0.73 -0.55 119.26 124.74 1wok h ALA 708 Ca 0.42 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1wok h ALA 708 Cb 0.42 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1wok h ALA 708 CO -0.26 0.46 -0.04 0.00 0.00 0.00 0.00 179.25 179.41 1wok h ALA 709 N 1.55 -0.11 -0.63 0.00 0.00 0.43 -2.04 119.26 118.46 1wok h ALA 709 Ca 0.02 -0.16 0.10 0.00 0.00 0.00 0.00 54.91 54.88 1wok h ALA 709 Cb 0.61 0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.36 1wok h ALA 709 CO 0.04 -0.41 0.23 1.88 0.00 0.00 0.00 179.25 181.00 1wok h TYR 710 N -0.41 0.41 -0.70 0.00 0.05 0.07 -1.97 116.97 114.42 1wok h TYR 710 Ca -0.01 0.03 -0.05 0.00 0.05 0.00 0.00 58.73 58.75 1wok h TYR 710 Cb 0.35 -0.09 -0.03 0.00 1.01 0.00 0.00 36.73 37.97 1wok h TYR 710 CO 0.02 0.09 0.25 1.03 -1.05 0.00 0.00 178.16 178.50 1wok h SER 711 N 0.41 0.97 -0.98 3.88 0.87 -0.93 -2.12 113.55 115.65 1wok h SER 711 Ca 0.32 -0.16 0.01 0.00 -1.23 0.00 0.00 61.79 60.73 1wok h SER 711 Cb 0.41 -0.25 -0.05 0.00 -0.44 0.00 0.00 62.40 62.07 1wok h SER 711 CO -0.32 0.88 0.64 0.40 -0.53 0.00 0.00 176.83 177.89 1wok h ILE 712 N 1.02 1.26 -0.39 2.23 1.08 -0.62 -2.16 117.51 119.92 1wok h ILE 712 Ca 0.23 -0.49 0.02 0.00 -0.39 0.00 0.00 64.86 64.24 1wok h ILE 712 Cb 0.24 -0.17 -0.02 0.00 -3.07 0.00 0.00 36.82 33.79 1wok h ILE 712 CO -0.01 0.25 0.26 -0.07 -0.69 0.00 0.00 178.15 177.89 1wok h LEU 713 N 1.33 0.39 0.03 1.44 3.38 -0.96 -2.39 115.31 118.53 1wok h LEU 713 Ca 0.36 -0.01 -0.26 0.00 0.09 0.00 0.00 57.88 58.06 1wok h LEU 713 Cb -0.13 -0.09 0.01 0.00 0.09 0.00 0.00 40.66 40.53 1wok h LEU 713 CO -0.07 0.28 -1.16 0.28 0.09 0.00 0.00 178.44 177.85 1wok h SER 714 N 0.46 0.52 0.00 -0.43 0.02 -1.18 -2.88 113.55 110.07 1wok h SER 714 Ca 0.15 -0.50 0.00 0.00 -0.84 0.00 0.00 61.79 60.60 1wok h SER 714 Cb 0.06 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.43 1wok h SER 714 CO -0.04 1.35 0.00 1.21 -1.14 0.00 0.00 176.83 178.22 1wok n GLU 715 N -3.64 0.50 -0.00 3.45 2.13 -0.92 -0.76 120.64 121.40 1wok n GLU 715 Ca -0.09 0.00 0.06 0.00 0.66 0.00 0.00 57.16 57.79 1wok n GLU 715 Cb 0.96 -1.46 -0.09 0.00 0.27 0.00 0.00 31.44 31.13 1wok n GLU 715 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1wok n VAL 716 N -0.96 0.00 -0.03 6.31 0.31 -1.11 -3.84 118.33 119.02 1wok n VAL 716 Ca 0.11 -0.26 -0.15 0.00 -0.01 0.00 0.00 64.34 64.03 1wok n VAL 716 Cb 0.05 0.29 -0.12 0.00 -0.91 0.00 0.00 33.84 33.16 1wok n VAL 716 CO 0.00 0.00 0.00 0.06 -1.32 0.00 0.00 176.83 175.57 1wok h GLN 717 N 0.00 0.14 0.00 5.55 3.07 -0.74 -2.85 115.11 120.28 1wok h GLN 717 Ca 0.00 -0.15 0.00 0.00 0.09 0.00 0.00 58.65 58.59 1wok h GLN 717 Cb 0.51 0.04 0.00 0.00 0.08 0.00 0.00 27.48 28.11 1wok h GLN 717 CO 0.00 0.90 0.00 0.94 0.09 0.00 0.00 178.83 180.76 1wok n GLN 718 N -4.54 0.10 0.00 0.06 7.27 -0.95 -2.38 117.38 116.94 1wok n GLN 718 Ca -0.10 0.39 0.00 0.00 0.07 0.00 0.00 57.00 57.36 1wok n GLN 718 Cb 0.49 -1.72 0.00 0.00 2.41 0.00 0.00 30.24 31.42 1wok n GLN 718 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1wok n ALA 719 N -1.65 -0.12 -0.01 1.69 0.00 -1.09 -2.69 120.51 116.64 1wok n ALA 719 Ca 0.02 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.37 1wok n ALA 719 Cb 0.17 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.59 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 0.54 -0.50 0.00 3.04 -1.56 -1.03 116.25 116.74 1wok h VAL 720 Ca 0.00 0.00 0.07 0.00 -1.01 0.00 0.00 66.70 65.76 1wok h VAL 720 Cb 0.00 0.54 -0.09 0.00 -2.01 0.00 0.00 31.29 29.72 1wok h VAL 720 CO 0.00 0.00 -0.49 0.28 -1.01 0.00 0.00 177.57 176.35 1wok h SER 721 N -0.21 -1.65 0.46 3.17 0.02 -1.64 0.76 113.55 114.45 1wok h SER 721 Ca 0.10 0.24 0.00 0.00 -0.84 0.00 0.00 61.79 61.30 1wok h SER 721 Cb 0.37 0.71 0.00 0.00 0.14 0.00 0.00 62.40 63.62 1wok h SER 721 CO -0.27 -0.37 0.00 1.67 -1.14 0.00 0.00 176.83 176.72 1wok n GLN 722 N -5.39 0.14 -1.53 3.45 7.27 -1.10 -4.94 117.38 115.28 1wok n GLN 722 Ca -0.01 0.15 -0.01 0.00 0.07 0.00 0.00 57.00 57.21 1wok n GLN 722 Cb 0.34 -1.50 -0.01 0.00 2.41 0.00 0.00 30.24 31.49 1wok n GLN 722 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1wok n GLY 723 N 0.28 -3.56 3.32 1.69 0.00 0.26 -5.07 105.19 102.11 1wok n GLY 723 Ca 0.07 -0.15 -0.25 0.00 0.00 0.00 0.00 46.02 45.68 1wok n GLY 723 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wok s SER 724 N -0.16 2.74 0.36 1.61 1.04 -1.05 -4.94 113.70 113.30 1wok s SER 724 Ca -0.03 -0.72 -0.28 0.00 0.48 0.00 0.00 55.95 55.40 1wok s SER 724 Cb 0.00 -0.16 -0.12 0.00 0.10 0.00 0.00 66.02 65.84 1wok s SER 724 CO 0.09 0.08 1.35 -1.20 0.98 0.00 0.00 173.24 174.54 1wok n SER 725 N 0.98 3.06 -0.26 7.02 7.64 -1.26 -4.69 113.62 126.10 1wok n SER 725 Ca -0.19 1.21 0.28 0.00 1.01 0.00 0.00 58.87 61.18 1wok n SER 725 Cb 0.54 -1.53 0.65 0.00 -1.01 0.00 0.00 64.21 62.86 1wok n SER 725 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 1wok h ASP 726 N 2.63 0.16 0.28 6.43 3.32 -1.99 0.29 116.42 127.53 1wok h ASP 726 Ca -0.48 0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.60 1wok h ASP 726 Cb 1.27 -0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.80 1wok h ASP 726 CO 0.63 0.04 -0.31 -1.28 -1.72 0.00 0.00 179.24 176.60 1wok h SER 727 N 0.15 -0.85 -0.14 6.45 0.87 -1.98 0.59 113.55 118.63 1wok h SER 727 Ca 0.51 0.08 -0.00 0.00 -1.23 0.00 0.00 61.79 61.15 1wok h SER 727 Cb 1.74 0.29 -0.01 0.00 -0.44 0.00 0.00 62.40 63.99 1wok h SER 727 CO -0.10 -0.44 0.08 1.56 -0.53 0.00 0.00 176.83 177.41 1wok h GLN 728 N -0.63 0.19 -0.83 2.24 7.50 -0.86 0.16 115.11 122.89 1wok h GLN 728 Ca -0.01 -0.02 0.11 0.00 0.50 0.00 0.00 58.65 59.24 1wok h GLN 728 Cb 0.59 -0.04 -0.08 0.00 0.05 0.00 0.00 27.48 28.00 1wok h GLN 728 CO -0.08 0.19 0.45 0.82 -1.50 0.00 0.00 178.83 178.71 1wok h ILE 729 N 0.14 0.84 0.25 2.54 2.04 -0.80 -2.18 117.51 120.35 1wok h ILE 729 Ca 0.05 -0.25 -0.01 0.00 1.00 0.00 0.00 64.86 65.65 1wok h ILE 729 Cb 0.05 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.19 1wok h ILE 729 CO -0.01 0.13 -0.12 0.25 0.00 0.00 0.00 178.15 178.40 1wok h LEU 730 N 0.72 -0.29 -0.09 1.44 6.46 0.87 -2.87 115.31 121.55 1wok h LEU 730 Ca 0.42 -0.17 0.03 0.00 -0.12 0.00 0.00 57.88 58.03 1wok h LEU 730 Cb 0.47 0.07 -0.06 0.00 -0.73 0.00 0.00 40.66 40.42 1wok h LEU 730 CO -0.29 0.03 -0.53 0.44 -0.62 0.00 0.00 178.44 177.47 1wok h ASP 731 N -0.62 -1.66 -0.79 1.25 3.32 -0.34 -1.69 116.42 115.89 1wok h ASP 731 Ca -0.03 0.19 0.07 0.00 0.02 0.00 0.00 57.03 57.28 1wok h ASP 731 Cb 0.44 0.64 -0.10 0.00 0.22 0.00 0.00 39.33 40.53 1wok h ASP 731 CO 0.06 -0.48 -0.55 -0.07 -1.72 0.00 0.00 179.24 176.48 1wok h LEU 732 N -0.60 -1.96 -1.83 1.55 3.38 -1.47 0.58 115.31 114.96 1wok h LEU 732 Ca 0.02 0.29 0.22 0.00 0.09 0.00 0.00 57.88 58.50 1wok h LEU 732 Cb 0.68 0.85 -0.04 0.00 0.09 0.00 0.00 40.66 42.23 1wok h LEU 732 CO -0.40 -0.26 0.57 0.77 0.09 0.00 0.00 178.44 179.21 1wok h SER 733 N -0.10 0.14 -0.12 -0.43 4.64 -1.22 -0.91 113.55 115.55 1wok h SER 733 Ca 0.13 0.01 -0.18 0.00 -0.47 0.00 0.00 61.79 61.28 1wok h SER 733 Cb 0.43 -0.01 0.01 0.00 -0.31 0.00 0.00 62.40 62.52 1wok h SER 733 CO -0.80 0.06 -0.63 0.78 -0.87 0.00 0.00 176.83 175.37 1wok h ASN 734 N 0.14 0.76 -0.50 4.97 2.35 0.10 -2.70 115.58 120.71 1wok h ASN 734 Ca 0.40 -0.64 -0.01 0.00 -0.55 0.00 0.00 56.30 55.50 1wok h ASN 734 Cb 1.37 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 39.50 1wok h ASN 734 CO -0.06 1.28 0.27 0.03 -1.65 0.00 0.00 177.43 177.30 1wok h ARG 735 N 0.30 0.70 -0.64 0.81 3.08 -0.04 -2.50 114.38 116.08 1wok h ARG 735 Ca -0.04 -0.08 0.07 0.00 0.07 0.00 0.00 59.98 59.99 1wok h ARG 735 Cb 1.27 -0.13 -0.06 0.00 0.08 0.00 0.00 29.97 31.13 1wok h ARG 735 CO 0.13 0.55 0.33 0.35 -1.07 0.00 0.00 179.97 180.26 1wok h PHE 736 N 0.66 0.60 0.00 3.04 3.57 -1.35 0.17 116.94 123.62 1wok h PHE 736 Ca 0.17 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.70 1wok h PHE 736 Cb 0.06 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 38.63 1wok h PHE 736 CO -0.02 0.26 0.00 0.66 -2.23 0.00 0.00 178.31 176.98 1wok n TYR 737 N -4.85 0.00 -0.10 0.41 4.01 -1.02 -2.10 117.16 113.51 1wok n TYR 737 Ca 0.08 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.61 1wok n TYR 737 Cb 0.20 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.15 1wok n TYR 737 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 1wok n THR 738 N -0.74 1.13 0.67 -0.72 -1.04 0.41 -3.99 114.28 110.00 1wok n THR 738 Ca 0.10 -0.30 0.10 0.00 -2.04 0.00 0.00 64.05 61.91 1wok n THR 738 Cb 0.05 -1.71 0.43 0.00 -1.82 0.00 0.00 70.33 67.28 1wok n THR 738 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1wok n LEU 739 N -3.82 0.06 -3.40 -4.42 -0.00 -0.19 -3.85 117.00 101.38 1wok n LEU 739 Ca -0.40 0.51 -0.26 0.00 -0.00 0.00 0.00 56.01 55.86 1wok n LEU 739 Cb 0.80 -0.50 -0.10 0.00 -0.00 0.00 0.00 43.42 43.62 1wok n LEU 739 CO 0.04 -0.18 -0.29 -0.63 -0.00 0.00 0.00 177.39 176.33 1wok s ILE 740 N -3.02 0.16 0.45 1.47 -1.09 -0.89 -5.00 121.20 113.28 1wok s ILE 740 Ca 0.09 -2.09 -0.24 0.00 -2.23 0.00 0.00 60.65 56.19 1wok s ILE 740 Cb 0.13 -1.11 -0.09 0.00 -1.58 0.00 0.00 42.46 39.81 1wok s ILE 740 CO 0.37 -1.05 1.15 -2.65 -1.23 0.00 0.00 174.94 171.53 1wok n PRO 741 N 3.44 1.59 -4.24 2.79 -0.02 -1.25 -4.41 135.00 132.91 1wok n PRO 741 Ca 0.21 0.57 -0.21 0.00 -2.02 0.00 0.00 63.50 62.05 1wok n PRO 741 Cb 0.43 -2.25 -0.12 0.00 -0.02 0.00 0.00 33.50 31.54 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 -1.27 1.43 -0.51 6.00 3.76 -1.26 -3.47 115.29 119.97 1wok s HIS 742 Ca 0.64 -0.44 0.04 0.00 -0.15 0.00 0.00 55.06 55.16 1wok s HIS 742 Cb -0.51 -0.80 0.13 0.00 1.11 0.00 0.00 32.58 32.51 1wok s HIS 742 CO 0.56 0.11 0.25 0.34 -0.85 0.00 0.00 174.74 175.15 1wok s ASP 743 N -1.74 4.26 -0.01 1.40 2.15 0.26 -4.45 116.67 118.53 1wok s ASP 743 Ca 0.01 -2.97 -0.08 0.00 0.43 0.00 0.00 52.55 49.94 1wok s ASP 743 Cb -0.10 -1.58 -0.30 0.00 -0.30 0.00 0.00 42.92 40.64 1wok s ASP 743 CO 0.03 -0.24 0.80 -0.26 -0.17 0.00 0.00 175.17 175.33 1wok h PHE 744 N 6.53 0.64 0.00 -5.34 0.04 -1.89 -3.43 116.94 113.49 1wok h PHE 744 Ca -0.07 -0.47 0.00 0.00 2.80 0.00 0.00 57.97 60.23 1wok h PHE 744 Cb 0.90 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 39.02 1wok h PHE 744 CO 0.52 1.53 0.00 0.41 -0.60 0.00 0.00 178.31 180.17 1wok n GLY 745 N 1.76 1.48 1.24 -1.45 0.00 -1.26 -4.48 105.19 102.48 1wok n GLY 745 Ca -0.20 -0.90 0.04 0.00 0.00 0.00 0.00 46.02 44.97 1wok n GLY 745 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1wok n MET 746 N 0.00 0.35 -4.45 1.61 0.00 -1.26 -5.06 117.12 108.31 1wok n MET 746 Ca 0.00 -2.23 -0.32 0.00 -0.00 0.00 0.00 57.70 55.14 1wok n MET 746 Cb 0.00 -0.39 -0.10 0.00 0.00 0.00 0.00 33.22 32.73 1wok n MET 746 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 175.97 174.38 1wok s LYS 747 N -0.72 2.62 0.13 2.12 -2.85 -1.26 -5.08 119.74 114.70 1wok s LYS 747 Ca 0.33 -0.67 -0.31 0.00 -1.00 0.00 0.00 55.97 54.32 1wok s LYS 747 Cb 0.36 -2.55 -0.10 0.00 -2.06 0.00 0.00 37.83 33.48 1wok s LYS 747 CO -0.14 0.62 1.80 0.21 0.10 0.00 0.00 175.35 177.94 1wok s LYS 748 N -1.35 4.14 0.06 1.78 2.47 -1.26 -4.86 119.74 120.72 1wok s LYS 748 Ca 0.17 2.58 -0.32 0.00 -1.56 0.00 0.00 55.97 56.84 1wok s LYS 748 Cb -0.11 -3.51 -0.11 0.00 -1.46 0.00 0.00 37.83 32.63 1wok s LYS 748 CO 0.07 -0.82 1.83 -2.30 0.16 0.00 0.00 175.35 174.29 1wok n PRO 749 N 5.41 2.55 -0.78 4.03 -0.02 -1.26 -4.94 135.00 139.99 1wok n PRO 749 Ca 0.17 0.93 -0.34 0.00 -2.02 0.00 0.00 63.50 62.25 1wok n PRO 749 Cb 0.38 -2.80 0.13 0.00 -0.02 0.00 0.00 33.50 31.18 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 5.84 -0.89 -3.85 0.52 -0.04 -1.26 -4.99 135.00 130.33 1wok n PRO 750 Ca 0.19 -0.24 -0.30 0.00 -0.04 0.00 0.00 63.50 63.12 1wok n PRO 750 Cb 0.35 -1.59 -0.04 0.00 -0.04 0.00 0.00 33.50 32.18 1wok n PRO 750 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1wok s LEU 751 N 0.83 4.32 -0.61 1.53 1.02 -1.26 -5.06 118.68 119.45 1wok s LEU 751 Ca 0.52 0.33 0.06 0.00 0.02 0.00 0.00 54.13 55.06 1wok s LEU 751 Cb -0.12 -3.04 0.26 0.00 0.02 0.00 0.00 46.19 43.30 1wok s LEU 751 CO 0.68 0.10 0.74 0.18 0.02 0.00 0.00 176.35 178.07 1wok n LEU 752 N 0.00 3.48 -2.28 1.79 4.77 -1.26 -4.72 117.00 118.78 1wok n LEU 752 Ca -0.05 -5.39 -0.03 0.00 -0.03 0.00 0.00 56.01 50.51 1wok n LEU 752 Cb 0.52 -0.54 0.07 0.00 -2.33 0.00 0.00 43.42 41.14 1wok n LEU 752 CO 0.50 2.08 0.49 -0.46 -1.33 0.00 0.00 177.39 178.67 1wok n ASN 753 N 0.83 -0.98 0.00 -1.43 6.94 -1.26 -4.88 115.26 114.49 1wok n ASN 753 Ca 0.29 -2.14 0.00 0.00 -0.02 0.00 0.00 54.58 52.71 1wok n ASN 753 Cb 0.42 0.45 0.00 0.00 -2.36 0.00 0.00 39.78 38.29 1wok n ASN 753 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 1wok n ASN 754 N -1.05 1.28 0.00 0.53 4.13 -1.26 -5.00 115.26 113.89 1wok n ASN 754 Ca -0.17 -1.61 0.00 0.00 1.68 0.00 0.00 54.58 54.49 1wok n ASN 754 Cb 0.84 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 39.08 1wok n ASN 754 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1wok n ALA 755 N -0.30 0.00 -0.03 5.41 0.00 -1.26 -3.91 120.51 120.41 1wok n ALA 755 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 1wok n ALA 755 Cb 0.30 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.67 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 0.50 0.08 0.00 3.32 -1.98 -1.75 116.42 116.58 1wok h ASP 756 Ca 0.00 -0.63 0.02 0.00 0.02 0.00 0.00 57.03 56.44 1wok h ASP 756 Cb 0.00 -0.15 -0.05 0.00 0.22 0.00 0.00 39.33 39.35 1wok h ASP 756 CO 0.00 1.05 -0.46 0.77 -1.72 0.00 0.00 179.24 178.87 1wok h SER 757 N -0.03 -1.39 -0.39 6.45 4.64 -1.88 -1.49 113.55 119.46 1wok h SER 757 Ca -0.02 0.16 0.02 0.00 -0.47 0.00 0.00 61.79 61.47 1wok h SER 757 Cb 1.03 0.52 -0.03 0.00 -0.31 0.00 0.00 62.40 63.61 1wok h SER 757 CO 0.08 -0.51 0.21 1.62 -0.87 0.00 0.00 176.83 177.36 1wok h VAL 758 N -0.67 1.01 -0.83 0.95 3.04 -1.87 -1.87 116.25 116.01 1wok h VAL 758 Ca 0.02 -0.15 0.20 0.00 -1.01 0.00 0.00 66.70 65.76 1wok h VAL 758 Cb 0.71 0.54 -0.05 0.00 -2.01 0.00 0.00 31.29 30.48 1wok h VAL 758 CO -0.28 0.08 0.56 -0.61 -1.01 0.00 0.00 177.57 176.31 1wok h GLN 759 N 0.43 0.28 -0.38 4.17 5.75 -0.95 0.64 115.11 125.06 1wok h GLN 759 Ca 0.16 -0.02 -0.02 0.00 -0.15 0.00 0.00 58.65 58.62 1wok h GLN 759 Cb 0.03 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 28.51 1wok h GLN 759 CO -0.09 0.18 0.16 0.00 -2.65 0.00 0.00 178.83 176.44 1wok h ALA 760 N 1.62 0.49 -0.72 3.38 0.00 -0.44 -1.21 119.26 122.38 1wok h ALA 760 Ca 0.42 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 55.13 1wok h ALA 760 Cb 1.19 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 1wok h ALA 760 CO -0.11 0.08 0.18 0.87 0.00 0.00 0.00 179.25 180.26 1wok h LYS 761 N 0.47 1.14 -0.15 0.00 1.79 0.33 -1.61 116.57 118.53 1wok h LYS 761 Ca 0.13 -0.27 0.01 0.00 -2.18 0.00 0.00 60.65 58.34 1wok h LYS 761 Cb 0.16 -0.15 -0.02 0.00 -1.58 0.00 0.00 32.23 30.64 1wok h LYS 761 CO -0.01 1.00 0.06 0.28 -1.08 0.00 0.00 179.45 179.69 1wok h VAL 762 N 1.08 0.97 -0.94 0.50 2.07 -0.37 0.68 116.25 120.24 1wok h VAL 762 Ca 0.23 -0.05 0.08 0.00 0.82 0.00 0.00 66.70 67.78 1wok h VAL 762 Cb 0.37 0.83 -0.07 0.00 -1.52 0.00 0.00 31.29 30.89 1wok h VAL 762 CO 0.00 0.02 0.59 -0.33 0.02 0.00 0.00 177.57 177.88 1wok h GLU 763 N 0.13 1.00 0.75 1.57 5.08 -0.91 0.91 114.58 123.12 1wok h GLU 763 Ca 0.06 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.33 1wok h GLU 763 Cb 0.03 -0.23 0.01 0.00 0.50 0.00 0.00 28.75 29.06 1wok h GLU 763 CO -0.06 0.66 -0.36 1.98 -1.00 0.00 0.00 179.01 180.23 1wok h MET 764 N 1.03 -0.97 -0.97 2.33 4.05 -0.18 -2.01 114.93 118.22 1wok h MET 764 Ca 0.43 0.07 0.24 0.00 -0.28 0.00 0.00 59.70 60.15 1wok h MET 764 Cb 0.26 0.22 -0.07 0.00 -0.80 0.00 0.00 31.60 31.21 1wok h MET 764 CO -0.20 -0.65 0.65 -0.07 0.23 0.00 0.00 176.91 176.87 1wok h LEU 765 N -1.13 0.34 0.63 3.39 3.38 0.57 -2.10 115.31 120.38 1wok h LEU 765 Ca -0.10 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 1wok h LEU 765 Cb 0.77 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 41.52 1wok h LEU 765 CO 0.17 0.10 -0.30 0.44 0.09 0.00 0.00 178.44 178.94 1wok h ASP 766 N 0.32 -0.72 0.00 -0.43 5.19 -0.61 -2.90 116.42 117.27 1wok h ASP 766 Ca 0.51 -0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.90 1wok h ASP 766 Cb 1.44 0.19 0.00 0.00 0.18 0.00 0.00 39.33 41.13 1wok h ASP 766 CO -0.18 -0.38 0.03 0.78 -3.12 0.00 0.00 179.24 176.37 1wok h ASN 767 N -1.07 0.00 0.36 6.45 4.21 -0.71 -2.63 115.58 122.19 1wok h ASN 767 Ca -0.09 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.41 1wok h ASN 767 Cb 0.70 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.90 1wok h ASN 767 CO 0.14 0.00 -0.17 -0.07 -1.29 0.00 0.00 177.43 176.04 1wok h LEU 768 N 0.00 -0.41 -0.18 1.61 3.38 -1.26 -3.35 115.31 115.11 1wok h LEU 768 Ca 0.00 -0.06 0.02 0.00 0.09 0.00 0.00 57.88 57.93 1wok h LEU 768 Cb 0.07 0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1wok h LEU 768 CO 0.00 0.04 -0.09 0.18 0.09 0.00 0.00 178.44 178.66 1wok n LEU 769 N -5.10 -0.16 -0.10 1.67 4.77 -0.99 0.22 117.00 117.31 1wok n LEU 769 Ca -0.07 0.32 -0.07 0.00 -0.03 0.00 0.00 56.01 56.16 1wok n LEU 769 Cb 0.23 -0.05 0.01 0.00 -2.33 0.00 0.00 43.42 41.27 1wok n LEU 769 CO 0.19 -0.27 0.92 -0.78 -1.33 0.00 0.00 177.39 176.12 1wok h ASP 770 N 0.00 0.09 -0.53 -1.43 1.82 -1.73 -2.99 116.42 111.65 1wok h ASP 770 Ca 0.04 0.04 0.11 0.00 -0.39 0.00 0.00 57.03 56.83 1wok h ASP 770 Cb 0.09 0.04 -0.11 0.00 0.68 0.00 0.00 39.33 40.03 1wok h ASP 770 CO -0.17 0.09 -0.19 0.40 -1.61 0.00 0.00 179.24 177.76 1wok h ILE 771 N 0.24 0.37 -0.84 2.25 2.04 0.25 0.18 117.51 122.00 1wok h ILE 771 Ca 0.15 0.00 0.24 0.00 1.00 0.00 0.00 64.86 66.26 1wok h ILE 771 Cb 0.14 0.37 -0.03 0.00 -0.74 0.00 0.00 36.82 36.56 1wok h ILE 771 CO -0.17 0.00 0.77 -0.08 0.00 0.00 0.00 178.15 178.67 1wok h GLU 772 N -0.06 0.00 0.00 2.37 4.22 -1.36 -2.98 114.58 116.77 1wok h GLU 772 Ca 0.25 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.69 1wok h GLU 772 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1wok h GLU 772 CO -0.58 0.00 0.00 0.28 -2.18 0.00 0.00 179.01 176.53 1wok n VAL 773 N -3.77 0.00 -0.35 0.32 0.31 0.62 -2.76 118.33 112.71 1wok n VAL 773 Ca 0.18 0.53 0.29 0.00 -0.01 0.00 0.00 64.34 65.32 1wok n VAL 773 Cb 1.06 -1.13 0.48 0.00 -0.91 0.00 0.00 33.84 33.34 1wok n VAL 773 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1wok n ALA 774 N -1.14 0.99 -0.09 3.52 0.00 -1.13 0.68 120.51 123.34 1wok n ALA 774 Ca 0.00 0.59 0.00 0.00 0.00 0.00 0.00 53.44 54.03 1wok n ALA 774 Cb 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 19.45 18.70 1wok n ALA 774 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1wok n TYR 775 N -4.00 0.00 -0.25 0.00 9.36 -1.18 -2.10 117.16 118.98 1wok n TYR 775 Ca 0.29 0.00 0.33 0.00 3.32 0.00 0.00 57.90 61.83 1wok n TYR 775 Cb 1.13 -0.45 0.72 0.00 -0.63 0.00 0.00 39.34 40.11 1wok n TYR 775 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 1wok h SER 776 N 0.00 0.00 1.40 2.98 4.64 -1.11 2.51 113.55 123.97 1wok h SER 776 Ca 0.00 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.23 1wok h SER 776 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 1wok h SER 776 CO 0.00 0.00 -0.45 0.25 -0.87 0.00 0.00 176.83 175.76 1wok h LEU 777 N 0.00 0.00 0.00 5.97 7.12 0.12 -3.31 115.31 125.21 1wok h LEU 777 Ca 0.50 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.51 1wok h LEU 777 Cb 2.17 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 42.30 1wok h LEU 777 CO -0.01 0.45 -1.70 -0.11 -0.13 0.00 0.00 178.44 176.94 1wok n LEU 778 N -3.26 0.05 -0.84 2.25 7.94 0.73 -4.50 117.00 119.37 1wok n LEU 778 Ca 0.02 -0.03 0.00 0.00 -1.11 0.00 0.00 56.01 54.88 1wok n LEU 778 Cb 0.68 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.63 1wok n LEU 778 CO 0.39 0.01 0.10 -1.14 -1.11 0.00 0.00 177.39 175.65 1wok n ARG 779 N -2.04 0.24 -3.96 1.96 3.00 0.49 -4.67 116.66 111.68 1wok n ARG 779 Ca -0.03 0.00 0.04 0.00 -0.00 0.00 0.00 57.85 57.86 1wok n ARG 779 Cb 0.43 -1.29 0.01 0.00 0.00 0.00 0.00 32.46 31.60 1wok n ARG 779 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1wok n GLY 780 N 0.71 0.15 1.42 5.14 0.00 -1.26 -5.00 105.19 106.35 1wok n GLY 780 Ca 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 45.00 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 -0.93 0.75 3.33 -0.02 0.00 -1.26 -5.01 105.19 102.04 1wok n GLY 781 Ca 0.06 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.62 1wok n GLY 781 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wok s SER 782 N -2.90 6.94 0.10 1.61 0.15 -1.26 -4.67 113.70 113.68 1wok s SER 782 Ca 0.00 -3.05 0.00 0.00 0.70 0.00 0.00 55.95 53.60 1wok s SER 782 Cb 0.00 -2.20 0.00 0.00 -1.71 0.00 0.00 66.02 62.11 1wok s SER 782 CO 0.00 -0.45 0.00 -0.67 1.20 0.00 0.00 173.24 173.32 1wok n ASP 783 N 3.46 -0.22 -4.55 5.45 2.03 -1.26 -5.00 116.55 116.46 1wok n ASP 783 Ca 0.18 0.18 -0.22 0.00 0.52 0.00 0.00 54.79 55.45 1wok n ASP 783 Cb 0.44 0.31 -0.08 0.00 -0.72 0.00 0.00 41.12 41.07 1wok n ASP 783 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1wok n ASP 784 N -2.82 1.54 -4.52 1.67 2.03 -1.26 -4.76 116.55 108.42 1wok n ASP 784 Ca 0.00 -1.05 -0.29 0.00 0.52 0.00 0.00 54.79 53.97 1wok n ASP 784 Cb 0.00 -1.49 -0.15 0.00 -0.72 0.00 0.00 41.12 38.76 1wok n ASP 784 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1wok n SER 785 N 16.26 0.25 0.00 1.67 3.41 -1.26 -4.78 113.62 129.17 1wok n SER 785 Ca 0.47 -0.49 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 1wok n SER 785 Cb 0.41 -1.02 0.00 0.00 -0.26 0.00 0.00 64.21 63.34 1wok n SER 785 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1wok n SER 786 N 11.05 0.00 -2.70 4.04 2.88 -1.26 -5.13 113.62 122.50 1wok n SER 786 Ca 0.59 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 58.02 1wok n SER 786 Cb 0.22 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.65 1wok n SER 786 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1wok n LYS 787 N 0.00 1.16 -1.41 -1.46 4.01 -1.26 -4.74 118.16 114.46 1wok n LYS 787 Ca 0.00 -1.36 -0.40 0.00 -0.51 0.00 0.00 58.31 56.04 1wok n LYS 787 Cb 0.00 0.55 0.02 0.00 -0.51 0.00 0.00 35.03 35.09 1wok n LYS 787 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 1wok n ASP 788 N -1.49 -1.56 -0.18 4.39 -0.08 0.57 -4.51 116.55 113.70 1wok n ASP 788 Ca -0.05 0.81 0.12 0.00 -1.51 0.00 0.00 54.79 54.16 1wok n ASP 788 Cb 0.24 -1.07 0.23 0.00 2.34 0.00 0.00 41.12 42.86 1wok n ASP 788 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 1wok n PRO 789 N 0.62 -0.04 -0.09 -0.67 -0.02 -1.26 -0.40 135.00 133.14 1wok n PRO 789 Ca 0.11 0.77 -0.06 0.00 -2.02 0.00 0.00 63.50 62.29 1wok n PRO 789 Cb 0.43 -1.29 0.00 0.00 -0.02 0.00 0.00 33.50 32.62 1wok n PRO 789 CO 0.00 0.00 0.00 -0.84 1.98 0.00 0.00 175.50 176.64 1wok h ILE 790 N 0.00 0.74 -0.81 4.25 3.07 -1.88 -2.63 117.51 120.24 1wok h ILE 790 Ca 0.39 -0.02 0.04 0.00 1.55 0.00 0.00 64.86 66.82 1wok h ILE 790 Cb 0.93 0.67 -0.05 0.00 -0.27 0.00 0.00 36.82 38.10 1wok h ILE 790 CO -0.46 0.01 0.51 0.44 -1.05 0.00 0.00 178.15 177.61 1wok h ASP 791 N 0.06 0.84 0.63 2.16 5.19 -0.97 0.99 116.42 125.32 1wok h ASP 791 Ca 0.15 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.54 1wok h ASP 791 Cb 0.22 -0.18 -0.00 0.00 0.18 0.00 0.00 39.33 39.55 1wok h ASP 791 CO -0.28 0.57 -0.10 0.58 -3.12 0.00 0.00 179.24 176.89 1wok h VAL 792 N 0.98 0.35 0.00 -1.35 2.07 -1.53 -1.55 116.25 115.22 1wok h VAL 792 Ca 0.33 -0.61 -0.14 0.00 0.82 0.00 0.00 66.70 67.10 1wok h VAL 792 Cb 0.06 1.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 1wok h VAL 792 CO -0.13 0.10 -1.22 0.59 0.02 0.00 0.00 177.57 176.93 1wok n ASN 793 N -3.37 1.89 -0.32 0.57 3.02 -0.66 -4.07 115.26 112.32 1wok n ASN 793 Ca -0.01 0.44 0.20 0.00 -0.03 0.00 0.00 54.58 55.18 1wok n ASN 793 Cb 0.28 -0.83 0.40 0.00 -0.61 0.00 0.00 39.78 39.02 1wok n ASN 793 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 1wok h TYR 794 N -1.00 0.44 -0.91 3.10 -0.00 0.95 0.83 116.97 120.39 1wok h TYR 794 Ca -0.20 0.05 0.06 0.00 -0.00 0.00 0.00 58.73 58.63 1wok h TYR 794 Cb 1.03 -0.04 -0.06 0.00 -0.00 0.00 0.00 36.73 37.67 1wok h TYR 794 CO -0.21 -0.35 0.59 1.05 -0.00 0.00 0.00 178.16 179.24 1wok h GLU 795 N 0.10 1.03 0.00 1.82 -0.00 -1.46 -0.65 114.58 115.42 1wok h GLU 795 Ca 0.68 -0.06 0.00 0.00 -0.00 0.00 0.00 59.36 59.97 1wok h GLU 795 Cb 1.55 -0.23 0.00 0.00 -0.00 0.00 0.00 28.75 30.07 1wok h GLU 795 CO -0.76 0.68 0.00 0.36 -0.00 0.00 0.00 179.01 179.29 1wok n LYS 796 N -4.48 0.30 0.26 1.06 2.85 0.29 -3.19 118.16 115.25 1wok n LYS 796 Ca 0.13 0.02 0.11 0.00 -1.05 0.00 0.00 58.31 57.51 1wok n LYS 796 Cb 0.17 -1.50 0.71 0.00 -0.65 0.00 0.00 35.03 33.76 1wok n LYS 796 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 177.40 177.28 1wok h LEU 797 N 0.00 0.00 -0.66 -5.58 3.38 -0.62 -3.46 115.31 108.37 1wok h LEU 797 Ca 0.00 0.00 -0.46 0.00 0.09 0.00 0.00 57.88 57.51 1wok h LEU 797 Cb 0.33 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 1wok h LEU 797 CO 0.00 0.07 -0.72 0.29 0.09 0.00 0.00 178.44 178.17 1wok n LYS 798 N -4.07 -5.34 -3.45 1.13 4.76 -1.19 -4.27 118.16 105.74 1wok n LYS 798 Ca -0.03 0.61 -0.20 0.00 -2.87 0.00 0.00 58.31 55.83 1wok n LYS 798 Cb 0.16 -5.49 -0.11 0.00 -1.84 0.00 0.00 35.03 27.74 1wok n LYS 798 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1wok s THR 799 N -3.25 -0.32 -0.77 -0.18 -4.23 -1.26 -0.45 115.64 105.18 1wok s THR 799 Ca 0.61 -0.49 -0.25 0.00 -1.18 0.00 0.00 61.69 60.38 1wok s THR 799 Cb -0.31 -0.94 -0.14 0.00 1.34 0.00 0.00 72.50 72.45 1wok s THR 799 CO 0.76 -0.49 2.41 0.47 -0.54 0.00 0.00 174.62 177.23 1wok n ASP 800 N 5.30 1.69 -2.69 3.99 9.92 -0.79 -4.71 116.55 129.26 1wok n ASP 800 Ca -0.03 -1.35 -0.11 0.00 -0.53 0.00 0.00 54.79 52.77 1wok n ASP 800 Cb 0.46 -1.60 -0.04 0.00 -0.64 0.00 0.00 41.12 39.29 1wok n ASP 800 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 1wok n ILE 801 N 8.57 1.54 -1.32 0.53 2.08 -1.26 -2.83 119.36 126.67 1wok n ILE 801 Ca 0.47 -0.85 -0.42 0.00 0.56 0.00 0.00 62.75 62.51 1wok n ILE 801 Cb 0.42 -1.84 -0.00 0.00 -0.75 0.00 0.00 39.64 37.47 1wok n ILE 801 CO 0.00 0.00 0.00 1.17 0.56 0.00 0.00 176.55 178.28 1wok n LYS 802 N 3.56 0.05 -3.90 0.38 3.00 -1.07 -4.71 118.16 115.47 1wok n LYS 802 Ca 0.25 0.02 -0.33 0.00 -0.00 0.00 0.00 58.31 58.25 1wok n LYS 802 Cb 0.25 -1.04 -0.05 0.00 0.00 0.00 0.00 35.03 34.19 1wok n LYS 802 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1wok s VAL 803 N -1.62 5.42 0.12 3.15 0.11 -1.26 -0.84 120.40 125.48 1wok s VAL 803 Ca 0.60 -0.19 0.10 0.00 -2.93 0.00 0.00 61.98 59.55 1wok s VAL 803 Cb -0.65 -3.56 -0.04 0.00 -1.53 0.00 0.00 36.38 30.60 1wok s VAL 803 CO 0.62 0.29 -0.24 -0.69 -3.33 0.00 0.00 175.10 171.74 1wok s VAL 804 N -1.36 2.05 -0.10 2.04 1.01 -1.23 -4.68 120.40 118.12 1wok s VAL 804 Ca 0.29 -1.70 -0.06 0.00 0.00 0.00 0.00 61.98 60.51 1wok s VAL 804 Cb -0.13 -1.84 -0.04 0.00 0.00 0.00 0.00 36.38 34.37 1wok s VAL 804 CO 0.21 0.01 0.15 -1.81 0.00 0.00 0.00 175.10 173.66 1wok s ASP 805 N -2.05 6.39 0.00 3.32 -0.00 -1.26 -4.82 116.67 118.25 1wok s ASP 805 Ca 0.12 0.46 0.21 0.00 -0.00 0.00 0.00 52.55 53.33 1wok s ASP 805 Cb -0.10 -2.06 1.16 0.00 -0.00 0.00 0.00 42.92 41.92 1wok s ASP 805 CO 0.06 0.38 1.76 -2.11 -0.00 0.00 0.00 175.17 175.25 1wok n ARG 806 N 1.77 1.12 -3.12 8.23 0.00 -1.26 -3.99 116.66 119.41 1wok n ARG 806 Ca -0.18 -0.18 -0.17 0.00 -0.00 0.00 0.00 57.85 57.31 1wok n ARG 806 Cb 0.54 -1.34 -0.02 0.00 -0.00 0.00 0.00 32.46 31.65 1wok n ARG 806 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1wok n ASP 807 N -0.63 0.27 0.00 2.89 9.92 -1.26 -4.74 116.55 123.00 1wok n ASP 807 Ca 0.16 -3.07 0.00 0.00 -0.53 0.00 0.00 54.79 51.35 1wok n ASP 807 Cb 0.12 -0.25 0.00 0.00 -0.64 0.00 0.00 41.12 40.35 1wok n ASP 807 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 1wok n SER 808 N 0.46 0.00 0.00 -2.24 3.41 -1.26 -5.10 113.62 108.90 1wok n SER 808 Ca 0.22 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.83 1wok n SER 808 Cb 0.65 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.60 1wok n SER 808 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1wok n GLU 809 N -0.38 0.00 -0.17 4.33 4.07 -1.26 -4.88 120.64 122.35 1wok n GLU 809 Ca 0.00 0.00 -0.11 0.00 -0.06 0.00 0.00 57.16 56.99 1wok n GLU 809 Cb 0.00 0.00 -0.08 0.00 -0.06 0.00 0.00 31.44 31.30 1wok n GLU 809 CO 0.00 0.00 0.00 0.93 -0.06 0.00 0.00 177.13 178.00 1wok h GLU 810 N 0.00 -0.23 -0.98 5.31 5.08 -2.00 0.24 114.58 122.01 1wok h GLU 810 Ca 0.00 0.02 0.18 0.00 -1.00 0.00 0.00 59.36 58.56 1wok h GLU 810 Cb 0.00 0.05 -0.09 0.00 0.50 0.00 0.00 28.75 29.21 1wok h GLU 810 CO 0.00 -0.15 0.61 0.00 -1.00 0.00 0.00 179.01 178.47 1wok h ALA 811 N -0.17 1.79 -0.96 3.43 0.00 -1.95 -1.81 119.26 119.59 1wok h ALA 811 Ca 0.08 0.05 0.27 0.00 0.00 0.00 0.00 54.91 55.31 1wok h ALA 811 Cb 0.44 -0.09 -0.18 0.00 0.00 0.00 0.00 17.79 17.96 1wok h ALA 811 CO -0.55 -0.12 0.07 0.93 0.00 0.00 0.00 179.25 179.59 1wok h GLU 812 N 0.71 0.03 0.05 0.00 4.39 -1.23 0.73 114.58 119.26 1wok h GLU 812 Ca 0.53 -0.00 -0.00 0.00 0.34 0.00 0.00 59.36 60.23 1wok h GLU 812 Cb 0.90 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.54 1wok h GLU 812 CO -0.30 0.02 -0.02 0.82 -1.16 0.00 0.00 179.01 178.36 1wok h ILE 813 N 0.03 1.31 -1.45 3.13 5.03 -1.33 -3.15 117.51 121.08 1wok h ILE 813 Ca 0.60 -1.34 0.42 0.00 -0.12 0.00 0.00 64.86 64.42 1wok h ILE 813 Cb 1.25 2.17 -0.06 0.00 -3.03 0.00 0.00 36.82 37.15 1wok h ILE 813 CO -0.87 0.33 1.06 0.40 -0.68 0.00 0.00 178.15 178.39 1wok h ILE 814 N -0.68 0.25 0.52 -0.67 1.08 -0.87 0.65 117.51 117.78 1wok h ILE 814 Ca -0.01 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.44 1wok h ILE 814 Cb 0.59 0.26 -0.00 0.00 -3.07 0.00 0.00 36.82 34.59 1wok h ILE 814 CO 0.01 0.00 -0.28 0.03 -0.69 0.00 0.00 178.15 177.22 1wok h ARG 815 N 0.00 -0.72 -0.53 2.37 3.08 -1.13 -3.04 114.38 114.41 1wok h ARG 815 Ca 0.69 0.05 0.10 0.00 0.07 0.00 0.00 59.98 60.88 1wok h ARG 815 Cb 2.80 0.16 -0.08 0.00 0.08 0.00 0.00 29.97 32.94 1wok h ARG 815 CO -0.01 -0.48 0.07 0.87 -1.07 0.00 0.00 179.97 179.35 1wok h LYS 816 N -0.75 0.19 0.00 0.04 1.79 0.20 -3.18 116.57 114.87 1wok h LYS 816 Ca -0.06 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.39 1wok h LYS 816 Cb 0.59 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.20 1wok h LYS 816 CO 0.09 0.12 0.00 0.98 -1.08 0.00 0.00 179.45 179.56 1wok n TYR 817 N -5.17 0.00 -0.30 -1.35 9.36 -1.06 -2.32 117.16 116.33 1wok n TYR 817 Ca 0.07 0.00 -0.08 0.00 3.32 0.00 0.00 57.90 61.21 1wok n TYR 817 Cb 0.28 -0.09 -0.07 0.00 -0.63 0.00 0.00 39.34 38.84 1wok n TYR 817 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 1wok n VAL 818 N -1.18 -0.49 -0.26 2.97 0.31 -1.21 -1.26 118.33 117.21 1wok n VAL 818 Ca 0.00 1.73 0.06 0.00 -0.01 0.00 0.00 64.34 66.13 1wok n VAL 818 Cb 0.00 -2.15 0.18 0.00 -0.91 0.00 0.00 33.84 30.97 1wok n VAL 818 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 1wok h LYS 819 N 0.00 0.16 0.09 5.55 1.63 -1.50 -3.17 116.57 119.32 1wok h LYS 819 Ca 0.12 -0.01 -0.24 0.00 -0.85 0.00 0.00 60.65 59.67 1wok h LYS 819 Cb 0.30 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 31.88 1wok h LYS 819 CO -0.67 0.11 -1.23 -0.91 -3.45 0.00 0.00 179.45 173.29 1wok h ASN 820 N 0.17 0.28 0.00 4.20 2.35 -0.77 -3.37 115.58 118.44 1wok h ASN 820 Ca 0.43 -0.82 0.00 0.00 -0.55 0.00 0.00 56.30 55.37 1wok h ASN 820 Cb 0.78 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 39.05 1wok h ASN 820 CO -0.61 1.53 0.00 0.35 -1.65 0.00 0.00 177.43 177.04 1wok n THR 821 N -4.08 0.85 -4.00 2.81 -2.24 -0.54 -4.51 114.28 102.58 1wok n THR 821 Ca -0.24 -0.19 -0.33 0.00 -2.27 0.00 0.00 64.05 61.01 1wok n THR 821 Cb 0.82 -1.15 -0.14 0.00 -2.10 0.00 0.00 70.33 67.76 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 0.98 3.30 0.59 4.78 5.04 -1.25 0.36 115.29 129.09 1wok s HIS 822 Ca 0.00 -2.20 -0.18 0.00 -1.54 0.00 0.00 55.06 51.14 1wok s HIS 822 Cb 0.00 -2.08 -0.06 0.00 0.04 0.00 0.00 32.58 30.48 1wok s HIS 822 CO 0.00 -0.86 0.83 0.00 -2.34 0.00 0.00 174.74 172.38 1wok n ALA 823 N 4.50 -0.22 0.21 1.58 0.00 -1.26 -4.93 120.51 120.38 1wok n ALA 823 Ca -0.12 -0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.40 1wok n ALA 823 Cb 0.42 -2.03 0.39 0.00 0.00 0.00 0.00 19.45 18.24 1wok n ALA 823 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1wok h THR 824 N 0.41 0.57 -0.00 0.00 2.02 -1.98 -3.12 112.91 110.81 1wok h THR 824 Ca -0.48 -1.25 0.00 0.00 0.77 0.00 0.00 66.41 65.45 1wok h THR 824 Cb 1.37 1.85 0.00 0.00 -1.74 0.00 0.00 68.15 69.64 1wok h THR 824 CO 0.50 0.25 -0.09 0.35 0.37 0.00 0.00 175.52 176.89 1wok n THR 825 N -3.36 0.00 -2.18 3.16 -2.24 -1.26 -3.95 114.28 104.44 1wok n THR 825 Ca 0.00 -0.03 -0.36 0.00 -2.27 0.00 0.00 64.05 61.39 1wok n THR 825 Cb 0.47 -0.22 0.02 0.00 -2.10 0.00 0.00 70.33 68.50 1wok n THR 825 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1wok n HIS 826 N -1.13 3.13 -1.07 4.78 8.25 -1.18 -4.75 115.22 123.25 1wok n HIS 826 Ca 0.13 -2.63 -0.26 0.00 -0.26 0.00 0.00 57.72 54.70 1wok n HIS 826 Cb 0.28 -0.86 0.07 0.00 1.12 0.00 0.00 29.99 30.60 1wok n HIS 826 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1wok n ASN 827 N -0.47 6.61 -0.89 0.41 6.94 -1.25 -4.03 115.26 122.58 1wok n ASN 827 Ca 0.48 -3.43 0.11 0.00 -0.02 0.00 0.00 54.58 51.71 1wok n ASN 827 Cb 0.36 -0.98 0.11 0.00 -2.36 0.00 0.00 39.78 36.92 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 -0.42 2.45 -3.28 -2.53 0.00 -1.26 -4.98 120.51 110.48 1wok n ALA 828 Ca 0.48 -0.75 0.03 0.00 0.00 0.00 0.00 53.44 53.21 1wok n ALA 828 Cb 0.75 -0.73 0.01 0.00 0.00 0.00 0.00 19.45 19.47 1wok n ALA 828 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1wok n TYR 829 N 1.22 -0.63 -3.62 0.00 0.18 -1.26 -2.96 117.16 110.09 1wok n TYR 829 Ca 0.14 -0.33 -0.10 0.00 1.88 0.00 0.00 57.90 59.48 1wok n TYR 829 Cb 0.54 0.16 -0.04 0.00 -0.38 0.00 0.00 39.34 39.62 1wok n TYR 829 CO 0.00 0.00 0.00 0.34 -2.08 0.00 0.00 176.86 175.12 1wok s ASP 830 N -1.77 -0.30 0.59 9.48 -1.08 -1.23 -4.98 116.67 117.37 1wok s ASP 830 Ca 0.08 -0.31 0.07 0.00 -0.52 0.00 0.00 52.55 51.87 1wok s ASP 830 Cb -0.01 0.53 0.09 0.00 -1.46 0.00 0.00 42.92 42.07 1wok s ASP 830 CO 0.01 -0.93 0.82 -0.76 0.52 0.00 0.00 175.17 174.83 1wok s LEU 831 N -2.81 3.14 -0.33 -1.34 2.01 -1.26 -3.71 118.68 114.37 1wok s LEU 831 Ca 0.04 -0.67 -0.06 0.00 0.01 0.00 0.00 54.13 53.46 1wok s LEU 831 Cb 0.01 -1.86 0.19 0.00 0.01 0.00 0.00 46.19 44.54 1wok s LEU 831 CO -0.10 -1.40 0.94 -0.70 1.01 0.00 0.00 176.35 176.10 1wok s GLU 832 N -4.75 0.31 0.09 1.70 2.56 -1.23 -4.94 118.70 112.44 1wok s GLU 832 Ca 0.62 0.00 -0.35 0.00 0.00 0.00 0.00 54.97 55.24 1wok s GLU 832 Cb -0.06 0.06 -0.18 0.00 2.00 0.00 0.00 34.13 35.95 1wok s GLU 832 CO 0.40 -0.48 1.00 0.28 -0.56 0.00 0.00 175.26 175.90 1wok n VAL 833 N 4.32 0.64 0.06 3.70 0.31 -1.26 -3.52 118.33 122.57 1wok n VAL 833 Ca 0.07 -0.16 0.00 0.00 -0.01 0.00 0.00 64.34 64.24 1wok n VAL 833 Cb 0.60 -0.29 0.00 0.00 -0.91 0.00 0.00 33.84 33.24 1wok n VAL 833 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1wok n ILE 834 N 1.28 0.12 -4.16 2.52 2.08 -1.13 -4.96 119.36 115.10 1wok n ILE 834 Ca 0.18 0.04 -0.22 0.00 0.56 0.00 0.00 62.75 63.31 1wok n ILE 834 Cb 0.17 -0.73 -0.17 0.00 -0.75 0.00 0.00 39.64 38.16 1wok n ILE 834 CO 0.00 0.00 0.00 -1.81 0.56 0.00 0.00 176.55 175.30 1wok s ASP 835 N -5.09 1.38 -0.12 4.38 1.01 -0.56 -5.02 116.67 112.65 1wok s ASP 835 Ca 0.00 -0.18 0.02 0.00 0.71 0.00 0.00 52.55 53.10 1wok s ASP 835 Cb 0.00 -0.58 -0.00 0.00 1.01 0.00 0.00 42.92 43.35 1wok s ASP 835 CO 0.00 -0.06 -0.20 -0.63 0.21 0.00 0.00 175.17 174.49 1wok s ILE 836 N 1.12 2.41 -0.09 0.77 1.09 -1.26 -2.23 121.20 123.01 1wok s ILE 836 Ca -0.07 -0.88 -0.02 0.00 -1.10 0.00 0.00 60.65 58.57 1wok s ILE 836 Cb -0.14 -1.97 0.04 0.00 -1.06 0.00 0.00 42.46 39.33 1wok s ILE 836 CO -0.01 0.54 0.04 -0.36 -0.10 0.00 0.00 174.94 175.05 1wok s PHE 837 N 0.47 0.41 -0.63 3.97 0.08 -1.22 -3.57 117.98 117.50 1wok s PHE 837 Ca -0.13 -0.12 -0.25 0.00 0.12 0.00 0.00 56.93 56.55 1wok s PHE 837 Cb -0.17 -0.69 -0.22 0.00 -0.57 0.00 0.00 43.02 41.37 1wok s PHE 837 CO 0.05 -0.34 1.84 1.17 -0.10 0.00 0.00 175.22 177.85 1wok n LYS 838 N 5.21 0.95 -1.99 0.44 4.81 -0.02 -2.00 118.16 125.56 1wok n LYS 838 Ca -0.06 -1.68 -0.40 0.00 -0.87 0.00 0.00 58.31 55.31 1wok n LYS 838 Cb 0.50 -3.00 -0.00 0.00 0.02 0.00 0.00 35.03 32.54 1wok n LYS 838 CO 0.00 0.00 0.00 0.96 1.17 0.00 0.00 177.40 179.53 1wok s ILE 839 N 7.57 2.48 -0.26 3.15 -4.36 -1.11 -2.59 121.20 126.08 1wok s ILE 839 Ca 0.65 0.43 -0.03 0.00 -0.26 0.00 0.00 60.65 61.44 1wok s ILE 839 Cb 0.11 -3.26 0.11 0.00 1.25 0.00 0.00 42.46 40.67 1wok s ILE 839 CO 0.20 0.06 0.22 -1.61 0.24 0.00 0.00 174.94 174.05 1wok s GLU 840 N -2.28 0.24 0.68 0.37 2.02 -1.13 -4.34 118.70 114.27 1wok s GLU 840 Ca 0.57 -0.17 -0.06 0.00 0.02 0.00 0.00 54.97 55.34 1wok s GLU 840 Cb -0.40 -1.01 0.09 0.00 0.10 0.00 0.00 34.13 32.91 1wok s GLU 840 CO 0.51 -0.91 0.20 0.54 0.02 0.00 0.00 175.26 175.61 1wok n ARG 841 N 5.29 0.36 -2.01 1.61 5.12 -1.26 -1.88 116.66 123.90 1wok n ARG 841 Ca -0.04 -0.33 -0.42 0.00 -1.93 0.00 0.00 57.85 55.13 1wok n ARG 841 Cb 0.46 -1.13 -0.00 0.00 -1.16 0.00 0.00 32.46 30.63 1wok n ARG 841 CO 0.00 0.00 0.00 -1.91 -1.93 0.00 0.00 177.63 173.79 1wok n GLU 842 N 0.74 3.47 -1.85 5.56 4.07 0.40 -4.42 120.64 128.61 1wok n GLU 842 Ca 0.03 -3.09 -0.02 0.00 -0.06 0.00 0.00 57.16 54.02 1wok n GLU 842 Cb 0.14 -3.01 -0.00 0.00 -0.06 0.00 0.00 31.44 28.51 1wok n GLU 842 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1wok n GLY 843 N 3.18 0.34 0.00 8.31 0.00 -1.26 -4.87 105.19 110.88 1wok n GLY 843 Ca 0.50 -0.85 0.06 0.00 0.00 0.00 0.00 46.02 45.73 1wok n GLY 843 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1wok n GLU 844 N -1.51 0.56 0.27 1.61 2.13 -1.26 -3.03 120.64 119.41 1wok n GLU 844 Ca -0.02 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 57.69 1wok n GLU 844 Cb 0.43 -1.35 -0.05 0.00 0.27 0.00 0.00 31.44 30.74 1wok n GLU 844 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1wok n GLN 846 N -5.14 0.09 -0.03 0.00 6.02 -1.17 -1.70 117.38 115.44 1wok n GLN 846 Ca -0.09 0.55 -0.22 0.00 -0.01 0.00 0.00 57.00 57.23 1wok n GLN 846 Cb 0.29 -1.94 -0.13 0.00 1.02 0.00 0.00 30.24 29.48 1wok n GLN 846 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 1wok h ARG 847 N 0.00 0.17 -0.10 -1.09 2.43 -1.67 -3.38 114.38 110.74 1wok h ARG 847 Ca 0.00 -0.29 0.00 0.00 -0.81 0.00 0.00 59.98 58.88 1wok h ARG 847 Cb 0.30 0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 1wok h ARG 847 CO 0.00 1.14 0.00 0.98 -1.51 0.00 0.00 179.97 180.58 1wok n TYR 848 N -3.91 0.12 -0.05 2.20 9.36 -0.68 -4.22 117.16 119.99 1wok n TYR 848 Ca -0.31 -0.06 -0.12 0.00 3.32 0.00 0.00 57.90 60.73 1wok n TYR 848 Cb 0.89 0.00 -0.11 0.00 -0.63 0.00 0.00 39.34 39.49 1wok n TYR 848 CO 0.00 0.00 0.00 0.87 0.22 0.00 0.00 176.86 177.95 1wok h LYS 849 N 1.39 -0.02 0.00 2.98 1.57 -1.59 -3.18 116.57 117.71 1wok h LYS 849 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1wok h LYS 849 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1wok h LYS 849 CO 0.00 0.75 0.03 -2.30 -0.57 0.00 0.00 179.45 177.36 1wok n PRO 850 N -4.69 0.02 -1.46 3.15 -0.02 -1.26 -1.50 135.00 129.24 1wok n PRO 850 Ca -0.08 0.50 -0.36 0.00 -2.02 0.00 0.00 63.50 61.54 1wok n PRO 850 Cb 0.38 -1.61 0.07 0.00 -0.02 0.00 0.00 33.50 32.32 1wok n PRO 850 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1wok n PHE 851 N -1.60 3.18 -0.03 6.00 3.72 -1.20 -3.85 117.46 123.69 1wok n PHE 851 Ca -0.00 -2.89 -0.02 0.00 -0.05 0.00 0.00 57.45 54.48 1wok n PHE 851 Cb 0.04 -1.38 -0.06 0.00 -0.94 0.00 0.00 39.48 37.14 1wok n PHE 851 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1wok n LYS 852 N -0.85 2.20 0.00 -1.08 5.02 -0.57 -4.59 118.16 118.30 1wok n LYS 852 Ca 0.61 -0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.88 1wok n LYS 852 Cb 0.59 -1.19 0.00 0.00 -0.02 0.00 0.00 35.03 34.41 1wok n LYS 852 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 1wok n GLN 853 N -2.17 0.00 -4.44 1.97 -0.06 -1.25 -4.49 117.38 106.94 1wok n GLN 853 Ca -0.10 0.00 -0.23 0.00 -2.00 0.00 0.00 57.00 54.67 1wok n GLN 853 Cb 0.62 -1.26 -0.13 0.00 -4.06 0.00 0.00 30.24 25.41 1wok n GLN 853 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 1wok s LEU 854 N -1.02 2.21 0.00 1.69 1.02 -1.26 -5.11 118.68 116.21 1wok s LEU 854 Ca 0.00 -0.55 -0.11 0.00 0.02 0.00 0.00 54.13 53.49 1wok s LEU 854 Cb 0.00 -0.81 0.15 0.00 0.02 0.00 0.00 46.19 45.55 1wok s LEU 854 CO 0.00 0.08 0.69 0.00 0.02 0.00 0.00 176.35 177.14 1wok n HIS 855 N 1.63 -3.75 -2.35 0.29 1.44 -1.26 -4.73 115.22 106.48 1wok n HIS 855 Ca -0.18 -0.62 -0.02 0.00 -2.01 0.00 0.00 57.72 54.89 1wok n HIS 855 Cb 0.54 -0.62 0.01 0.00 0.12 0.00 0.00 29.99 30.04 1wok n HIS 855 CO 0.00 0.00 0.00 0.09 -2.81 0.00 0.00 176.34 173.62 1wok n ASN 856 N -3.78 -4.89 -4.29 4.39 5.03 -1.26 -1.84 115.26 108.61 1wok n ASN 856 Ca 0.09 -0.14 -0.36 0.00 0.87 0.00 0.00 54.58 55.05 1wok n ASN 856 Cb 0.33 -3.20 -0.13 0.00 -1.02 0.00 0.00 39.78 35.76 1wok n ASN 856 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1wok s ARG 857 N -3.21 3.02 -0.10 3.52 0.52 -1.26 -2.20 118.95 119.24 1wok s ARG 857 Ca 0.07 -0.89 -0.15 0.00 -0.52 0.00 0.00 55.73 54.24 1wok s ARG 857 Cb -0.01 -3.21 0.03 0.00 0.52 0.00 0.00 34.95 32.28 1wok s ARG 857 CO 0.39 -0.41 0.38 -0.98 0.02 0.00 0.00 175.30 174.70 1wok s ARG 858 N 1.43 0.57 -0.14 3.54 1.70 -1.26 0.13 118.95 124.92 1wok s ARG 858 Ca 0.02 0.27 -0.28 0.00 -0.47 0.00 0.00 55.73 55.27 1wok s ARG 858 Cb -0.17 0.26 -0.01 0.00 -0.57 0.00 0.00 34.95 34.47 1wok s ARG 858 CO -0.00 -0.12 0.95 -0.51 -1.08 0.00 0.00 175.30 174.54 1wok s LEU 859 N -0.41 4.21 0.34 -1.89 1.43 0.47 -3.67 118.68 119.16 1wok s LEU 859 Ca -0.05 1.39 0.04 0.00 -1.03 0.00 0.00 54.13 54.48 1wok s LEU 859 Cb -0.03 -3.44 -0.06 0.00 0.03 0.00 0.00 46.19 42.68 1wok s LEU 859 CO 0.02 -0.46 0.06 -0.76 0.23 0.00 0.00 176.35 175.45 1wok s LEU 860 N 2.19 2.22 0.00 1.79 1.43 -0.75 -4.65 118.68 120.91 1wok s LEU 860 Ca 0.44 -1.41 0.00 0.00 -1.03 0.00 0.00 54.13 52.14 1wok s LEU 860 Cb -0.17 -0.41 0.00 0.00 0.03 0.00 0.00 46.19 45.64 1wok s LEU 860 CO 0.15 -0.63 0.00 0.79 0.23 0.00 0.00 176.35 176.89 1wok n TRP 861 N -0.74 0.00 0.00 0.29 7.02 0.43 -2.57 117.44 121.87 1wok n TRP 861 Ca -0.03 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.45 1wok n TRP 861 Cb 0.66 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.55 1wok n TRP 861 CO 0.00 0.00 0.00 1.58 -2.02 0.00 0.00 177.69 177.25 1wok n HIS 862 N 0.00 0.00 -2.48 -5.99 -0.00 -1.17 -4.42 115.22 101.16 1wok n HIS 862 Ca 0.00 0.00 -0.26 0.00 0.46 0.00 0.00 57.72 57.92 1wok n HIS 862 Cb 0.00 0.00 0.03 0.00 -0.12 0.00 0.00 29.99 29.90 1wok n HIS 862 CO 0.00 0.00 0.00 0.20 0.46 0.00 0.00 176.34 177.00 1wok s GLY 863 N 0.00 1.61 0.00 1.57 0.00 -1.12 -3.26 107.32 106.11 1wok s GLY 863 Ca 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 44.72 43.95 1wok s GLY 863 CO 0.00 -0.50 0.00 -1.26 0.00 0.00 0.00 173.10 171.34 1wok n SER 864 N -2.52 0.00 -4.75 1.64 2.88 -1.10 -4.73 113.62 105.05 1wok n SER 864 Ca 0.04 -0.65 -0.36 0.00 -1.33 0.00 0.00 58.87 56.57 1wok n SER 864 Cb 0.58 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.97 1wok n SER 864 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1wok s ARG 865 N -0.94 4.17 0.42 -1.46 1.81 -1.25 -3.68 118.95 118.01 1wok s ARG 865 Ca 0.00 0.05 0.26 0.00 -1.72 0.00 0.00 55.73 54.32 1wok s ARG 865 Cb 0.00 -3.39 1.35 0.00 -0.45 0.00 0.00 34.95 32.46 1wok s ARG 865 CO 0.00 0.31 1.63 1.15 -0.68 0.00 0.00 175.30 177.72 1wok h THR 866 N 4.57 0.15 0.00 0.02 2.02 -1.87 1.58 112.91 119.39 1wok h THR 866 Ca -0.43 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 66.71 1wok h THR 866 Cb 1.17 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.60 1wok h THR 866 CO 0.74 0.02 0.00 0.74 0.37 0.00 0.00 175.52 177.39 1wok h THR 867 N 0.12 0.00 0.12 3.16 2.02 -1.93 -3.07 112.91 113.34 1wok h THR 867 Ca 0.80 -0.17 -0.36 0.00 0.77 0.00 0.00 66.41 67.44 1wok h THR 867 Cb 2.36 0.86 -0.02 0.00 -1.74 0.00 0.00 68.15 69.61 1wok h THR 867 CO -0.48 0.00 -2.00 0.59 0.37 0.00 0.00 175.52 174.01 1wok n ASN 868 N -2.34 2.11 -0.17 4.18 4.13 0.54 -4.33 115.26 119.39 1wok n ASN 868 Ca 0.01 0.21 0.00 0.00 1.68 0.00 0.00 54.58 56.48 1wok n ASN 868 Cb 0.17 -0.85 0.00 0.00 -1.54 0.00 0.00 39.78 37.56 1wok n ASN 868 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 1wok n PHE 869 N -3.47 0.00 -0.02 3.10 3.01 -1.16 -2.50 117.46 116.41 1wok n PHE 869 Ca -0.32 0.00 -0.01 0.00 1.01 0.00 0.00 57.45 58.13 1wok n PHE 869 Cb 1.05 0.00 -0.00 0.00 -0.01 0.00 0.00 39.48 40.52 1wok n PHE 869 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1wok h ALA 870 N 0.57 0.00 0.00 4.37 0.00 -1.79 -3.38 119.26 119.03 1wok h ALA 870 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1wok h ALA 870 Cb 0.00 0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1wok h ALA 870 CO 0.00 0.10 0.00 0.41 0.00 0.00 0.00 179.25 179.76 1wok n GLY 871 N 1.81 -1.02 0.11 0.00 0.00 -1.04 -2.20 105.19 102.85 1wok n GLY 871 Ca -0.01 -0.11 0.11 0.00 0.00 0.00 0.00 46.02 46.01 1wok n GLY 871 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1wok n ILE 872 N -1.27 0.83 -0.07 -0.61 5.41 -1.23 -2.18 119.36 120.23 1wok n ILE 872 Ca 0.11 0.20 -0.09 0.00 1.00 0.00 0.00 62.75 63.97 1wok n ILE 872 Cb 0.18 -1.11 -0.09 0.00 -0.71 0.00 0.00 39.64 37.91 1wok n ILE 872 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1wok n LEU 873 N -2.14 1.51 -0.34 1.39 4.77 -0.93 -2.39 117.00 118.87 1wok n LEU 873 Ca 0.02 -0.05 0.01 0.00 -0.03 0.00 0.00 56.01 55.97 1wok n LEU 873 Cb 0.23 -0.14 0.18 0.00 -2.33 0.00 0.00 43.42 41.36 1wok n LEU 873 CO 0.20 0.56 1.27 -1.28 -1.33 0.00 0.00 177.39 176.80 1wok h SER 874 N 0.00 1.03 -0.01 -1.43 0.87 -1.48 -3.36 113.55 109.16 1wok h SER 874 Ca -0.37 -0.01 -0.24 0.00 -1.23 0.00 0.00 61.79 59.95 1wok h SER 874 Cb 1.69 -0.23 -0.15 0.00 -0.44 0.00 0.00 62.40 63.27 1wok h SER 874 CO -0.02 0.70 -0.45 1.67 -0.53 0.00 0.00 176.83 178.20 1wok n GLN 875 N -4.45 0.97 0.00 2.24 7.27 -0.93 -4.97 117.38 117.52 1wok n GLN 875 Ca 0.13 -1.90 0.00 0.00 0.07 0.00 0.00 57.00 55.30 1wok n GLN 875 Cb 0.11 -1.12 0.00 0.00 2.41 0.00 0.00 30.24 31.64 1wok n GLN 875 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1wok n GLY 876 N 0.62 0.00 2.06 1.69 0.00 -1.00 -4.59 105.19 103.96 1wok n GLY 876 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 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 0.00 0.63 -4.71 0.99 4.77 -1.26 -4.87 117.00 112.55 1wok n LEU 877 Ca 0.00 0.66 -0.25 0.00 -0.03 0.00 0.00 56.01 56.39 1wok n LEU 877 Cb 0.00 -0.49 -0.08 0.00 -2.33 0.00 0.00 43.42 40.52 1wok n LEU 877 CO 0.00 -0.50 -0.19 -0.13 -1.33 0.00 0.00 177.39 175.24 1wok s ARG 878 N 1.55 2.18 -0.06 3.23 1.81 -1.26 -4.91 118.95 121.49 1wok s ARG 878 Ca 0.57 -1.86 0.02 0.00 -1.72 0.00 0.00 55.73 52.74 1wok s ARG 878 Cb -0.82 -1.94 -0.03 0.00 -0.45 0.00 0.00 34.95 31.72 1wok s ARG 878 CO 0.44 -0.08 -0.11 0.96 -0.68 0.00 0.00 175.30 175.84 1wok s ILE 879 N -2.60 3.38 -0.24 1.52 -4.36 -1.26 -4.74 121.20 112.90 1wok s ILE 879 Ca 0.40 -0.60 -0.22 0.00 -0.26 0.00 0.00 60.65 59.97 1wok s ILE 879 Cb 0.04 -2.36 -0.09 0.00 1.25 0.00 0.00 42.46 41.30 1wok s ILE 879 CO 0.22 0.59 0.99 0.00 0.24 0.00 0.00 174.94 176.97 1wok n ALA 880 N 2.36 -0.05 -0.87 2.27 0.00 -1.26 -4.77 120.51 118.19 1wok n ALA 880 Ca -0.18 0.12 -0.35 0.00 0.00 0.00 0.00 53.44 53.04 1wok n ALA 880 Cb 0.53 -1.00 0.09 0.00 0.00 0.00 0.00 19.45 19.07 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 3.31 -0.49 -0.12 0.00 -0.04 -1.26 -4.77 135.00 131.62 1wok n PRO 881 Ca 0.24 -0.13 -0.05 0.00 -0.04 0.00 0.00 63.50 63.52 1wok n PRO 881 Cb -0.02 -1.38 0.01 0.00 -0.04 0.00 0.00 33.50 32.07 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 -1.41 -0.12 0.00 0.54 0.11 -2.01 -2.32 132.00 126.78 1wok h PRO 882 Ca -0.45 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1wok h PRO 882 Cb 1.34 0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.47 1wok h PRO 882 CO 0.29 -0.08 0.00 0.39 -0.21 0.00 0.00 178.00 178.39 1wok n GLU 883 N -5.38 0.12 -2.49 1.05 4.71 -1.26 -4.76 120.64 112.62 1wok n GLU 883 Ca 0.02 0.00 -0.37 0.00 -0.01 0.00 0.00 57.16 56.81 1wok n GLU 883 Cb 0.29 -1.31 -0.03 0.00 -1.01 0.00 0.00 31.44 29.38 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 -2.00 3.06 0.33 0.62 0.00 -0.88 -2.78 121.76 120.12 1wok s ALA 884 Ca 0.03 0.74 -0.29 0.00 0.00 0.00 0.00 51.96 52.44 1wok s ALA 884 Cb 0.02 -3.29 -0.11 0.00 0.00 0.00 0.00 23.12 19.73 1wok s ALA 884 CO 0.03 -0.29 1.51 -1.25 0.00 0.00 0.00 175.76 175.76 1wok s PRO 885 N -2.55 4.14 0.08 0.00 0.04 -1.26 -4.94 135.00 130.51 1wok s PRO 885 Ca 0.59 2.53 -0.31 0.00 0.04 0.00 0.00 61.00 63.84 1wok s PRO 885 Cb -0.23 -3.01 -0.17 0.00 0.04 0.00 0.00 34.50 31.13 1wok s PRO 885 CO 0.29 -0.54 1.63 0.28 0.04 0.00 0.00 177.00 178.70 1wok h VAL 886 N 3.20 0.38 0.00 -0.36 2.07 -1.93 -2.17 116.25 117.43 1wok h VAL 886 Ca -0.49 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.03 1wok h VAL 886 Cb 1.23 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 31.38 1wok h VAL 886 CO 0.72 0.00 0.00 0.41 0.02 0.00 0.00 177.57 178.72 1wok n THR 887 N -5.44 0.00 0.18 2.57 -1.04 -1.26 -3.56 114.28 105.73 1wok n THR 887 Ca -0.12 0.00 0.05 0.00 -2.04 0.00 0.00 64.05 61.94 1wok n THR 887 Cb 0.34 -0.27 0.29 0.00 -1.82 0.00 0.00 70.33 68.87 1wok n THR 887 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 1wok h GLY 888 N 3.48 0.00 -4.66 3.41 0.00 -1.76 -3.45 103.07 100.09 1wok h GLY 888 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 46.84 1wok h GLY 888 CO 0.00 0.00 -0.81 -0.19 0.00 0.00 0.00 176.54 175.54 1wok s TYR 889 N -3.55 1.43 0.49 5.60 1.51 -1.23 -5.04 117.35 116.56 1wok s TYR 889 Ca 0.00 -0.35 0.15 0.00 -1.01 0.00 0.00 57.07 55.86 1wok s TYR 889 Cb 0.11 -0.85 1.17 0.00 -0.11 0.00 0.00 41.96 42.27 1wok s TYR 889 CO 0.70 0.05 2.10 1.98 -1.11 0.00 0.00 175.55 179.27 1wok h MET 890 N 4.96 0.03 0.00 -0.62 1.85 -1.87 -2.89 114.93 116.40 1wok h MET 890 Ca -0.39 -0.00 0.00 0.00 -0.61 0.00 0.00 59.70 58.69 1wok h MET 890 Cb 1.17 -0.01 0.00 0.00 0.43 0.00 0.00 31.60 33.20 1wok h MET 890 CO 0.44 0.07 -0.13 1.19 -0.40 0.00 0.00 176.91 178.08 1wok n PHE 891 N -4.47 0.00 0.00 1.39 3.72 -1.21 -1.46 117.46 115.43 1wok n PHE 891 Ca -0.03 -0.57 0.00 0.00 -0.05 0.00 0.00 57.45 56.80 1wok n PHE 891 Cb 0.13 -0.10 0.00 0.00 -0.94 0.00 0.00 39.48 38.58 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 -0.79 0.44 3.65 1.37 0.00 -1.09 -3.76 105.19 105.01 1wok n GLY 892 Ca 0.08 -1.94 -0.43 0.00 0.00 0.00 0.00 46.02 43.74 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 -1.63 4.05 0.00 1.61 1.02 -1.26 -4.75 119.74 118.79 1wok s LYS 893 Ca 0.00 1.96 0.00 0.00 0.02 0.00 0.00 55.97 57.95 1wok s LYS 893 Cb 0.00 -3.98 0.00 0.00 -0.52 0.00 0.00 37.83 33.33 1wok s LYS 893 CO 0.00 -0.98 0.00 0.41 -0.92 0.00 0.00 175.35 173.86 1wok n GLY 894 N 4.25 -0.66 3.67 -3.33 0.00 -1.26 -4.90 105.19 102.97 1wok n GLY 894 Ca 0.17 -0.99 -0.40 0.00 0.00 0.00 0.00 46.02 44.80 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 -2.00 5.01 -0.16 -0.61 1.01 -0.96 -4.73 121.20 118.76 1wok s ILE 895 Ca 0.00 1.29 -0.09 0.00 0.00 0.00 0.00 60.65 61.85 1wok s ILE 895 Cb 0.00 -3.99 -0.05 0.00 0.01 0.00 0.00 42.46 38.44 1wok s ILE 895 CO 0.00 0.13 0.15 -0.31 0.00 0.00 0.00 174.94 174.91 1wok s TYR 896 N 1.72 3.50 0.12 3.97 1.51 -1.26 -2.74 117.35 124.16 1wok s TYR 896 Ca 0.32 0.44 0.05 0.00 -1.01 0.00 0.00 57.07 56.86 1wok s TYR 896 Cb -0.16 -2.09 -0.04 0.00 -0.11 0.00 0.00 41.96 39.56 1wok s TYR 896 CO 0.12 0.47 -0.11 -0.06 -1.11 0.00 0.00 175.55 174.86 1wok s PHE 897 N -0.22 1.23 0.10 2.71 0.40 0.14 -4.79 117.98 117.55 1wok s PHE 897 Ca 0.12 -0.66 0.04 0.00 -0.60 0.00 0.00 56.93 55.82 1wok s PHE 897 Cb -0.12 -0.65 -0.03 0.00 0.51 0.00 0.00 43.02 42.73 1wok s PHE 897 CO 0.01 0.07 -0.11 0.00 0.70 0.00 0.00 175.22 175.90 1wok s ALA 898 N -2.68 1.14 -0.29 5.36 0.00 -1.26 -0.61 121.76 123.41 1wok s ALA 898 Ca 0.11 -1.16 0.09 0.00 0.00 0.00 0.00 51.96 51.00 1wok s ALA 898 Cb -0.01 0.01 0.54 0.00 0.00 0.00 0.00 23.12 23.65 1wok s ALA 898 CO 0.01 -0.00 1.52 -0.40 0.00 0.00 0.00 175.76 176.89 1wok n ASP 899 N 0.66 2.91 -3.52 0.00 5.68 -1.26 -0.43 116.55 120.59 1wok n ASP 899 Ca -0.17 -3.62 -0.25 0.00 -0.50 0.00 0.00 54.79 50.24 1wok n ASP 899 Cb 0.57 -0.65 -0.14 0.00 -1.14 0.00 0.00 41.12 39.76 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 -3.18 0.20 0.16 0.11 -1.94 -1.26 -4.68 119.30 108.70 1wok s MET 900 Ca 0.46 -0.34 -0.28 0.00 -1.71 0.00 0.00 55.69 53.82 1wok s MET 900 Cb 0.41 -1.15 -0.01 0.00 2.01 0.00 0.00 34.83 36.09 1wok s MET 900 CO 0.03 -0.95 1.56 -0.24 -0.01 0.00 0.00 175.02 175.41 1wok h VAL 901 N 6.37 0.06 -0.60 -6.03 3.04 0.62 -2.47 116.25 117.24 1wok h VAL 901 Ca -0.18 0.00 0.08 0.00 -1.01 0.00 0.00 66.70 65.59 1wok h VAL 901 Cb 1.05 0.06 -0.10 0.00 -2.01 0.00 0.00 31.29 30.28 1wok h VAL 901 CO 0.39 0.00 -0.48 0.77 -1.01 0.00 0.00 177.57 177.24 1wok h SER 902 N -0.26 -1.66 -0.68 3.17 4.64 -1.89 0.50 113.55 117.38 1wok h SER 902 Ca 0.15 0.26 0.15 0.00 -0.47 0.00 0.00 61.79 61.87 1wok h SER 902 Cb 0.56 0.73 -0.12 0.00 -0.31 0.00 0.00 62.40 63.27 1wok h SER 902 CO -0.68 -0.34 0.00 0.50 -0.87 0.00 0.00 176.83 175.44 1wok h LYS 903 N -0.23 0.11 0.00 4.77 3.64 -1.75 0.48 116.57 123.58 1wok h LYS 903 Ca 0.16 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.49 1wok h LYS 903 Cb 0.56 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.35 1wok h LYS 903 CO -0.71 0.07 -0.21 1.03 -2.27 0.00 0.00 179.45 177.37 1wok h SER 904 N 0.11 0.00 -0.21 4.20 0.87 -0.74 -2.54 113.55 115.25 1wok h SER 904 Ca 0.36 0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 60.75 1wok h SER 904 Cb 0.61 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.56 1wok h SER 904 CO -0.59 0.21 -0.53 0.00 -0.53 0.00 0.00 176.83 175.40 1wok h ALA 905 N 1.79 0.55 0.00 6.23 0.00 0.42 -2.54 119.26 125.71 1wok h ALA 905 Ca -0.00 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1wok h ALA 905 Cb 0.79 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1wok h ALA 905 CO 0.03 0.68 0.15 0.09 0.00 0.00 0.00 179.25 180.20 1wok n ASN 906 N -4.00 0.00 -1.31 0.00 4.13 0.93 0.87 115.26 115.88 1wok n ASN 906 Ca -0.04 0.24 0.08 0.00 1.68 0.00 0.00 54.58 56.54 1wok n ASN 906 Cb 0.61 -0.24 0.32 0.00 -1.54 0.00 0.00 39.78 38.93 1wok n ASN 906 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 1wok n TYR 907 N -1.19 1.37 -0.07 3.10 4.01 -0.97 -4.21 117.16 119.19 1wok n TYR 907 Ca 0.00 -0.76 -0.07 0.00 -0.16 0.00 0.00 57.90 56.91 1wok n TYR 907 Cb 0.15 -0.35 -0.15 0.00 -0.31 0.00 0.00 39.34 38.68 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 -2.74 -2.41 -4.16 0.00 8.25 -1.26 -4.38 115.22 108.52 1wok n HIS 909 Ca -0.26 1.22 -0.15 0.00 -0.26 0.00 0.00 57.72 58.27 1wok n HIS 909 Cb 1.06 -2.70 -0.14 0.00 1.12 0.00 0.00 29.99 29.33 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 -0.94 0.50 0.45 1.59 -4.23 -1.26 -4.99 115.64 106.76 1wok s THR 910 Ca -0.07 -0.50 0.07 0.00 -1.18 0.00 0.00 61.69 60.01 1wok s THR 910 Cb 0.00 -0.47 -0.01 0.00 1.34 0.00 0.00 72.50 73.36 1wok s THR 910 CO 0.45 -0.01 0.32 -0.55 -0.54 0.00 0.00 174.62 174.29 1wok s SER 911 N -0.56 4.73 0.48 3.99 0.15 -1.26 -4.95 113.70 116.29 1wok s SER 911 Ca -0.01 -0.99 0.31 0.00 0.70 0.00 0.00 55.95 55.96 1wok s SER 911 Cb -0.04 -0.27 1.42 0.00 -1.71 0.00 0.00 66.02 65.41 1wok s SER 911 CO 0.00 -0.74 1.74 1.56 1.20 0.00 0.00 173.24 177.00 1wok h GLN 912 N 1.08 0.13 -1.05 5.44 1.08 -2.02 0.28 115.11 120.05 1wok h GLN 912 Ca -0.41 -0.01 -0.50 0.00 -1.45 0.00 0.00 58.65 56.29 1wok h GLN 912 Cb 1.27 -0.03 -0.26 0.00 -0.05 0.00 0.00 27.48 28.41 1wok h GLN 912 CO 0.61 0.09 0.64 0.41 -0.95 0.00 0.00 178.83 179.63 1wok n GLY 913 N -1.65 4.63 2.50 3.46 0.00 -1.26 -4.32 105.19 108.55 1wok n GLY 913 Ca 0.29 -1.34 -0.03 0.00 0.00 0.00 0.00 46.02 44.94 1wok n GLY 913 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1wok n ASP 914 N -0.80 -1.08 -2.89 1.61 2.03 0.98 -5.03 116.55 111.37 1wok n ASP 914 Ca 0.53 -1.67 -0.29 0.00 0.52 0.00 0.00 54.79 53.88 1wok n ASP 914 Cb 1.19 0.85 -0.07 0.00 -0.72 0.00 0.00 41.12 42.37 1wok n ASP 914 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1wok n PRO 915 N -0.51 2.98 -2.81 -0.67 -0.04 -1.17 -4.20 135.00 128.59 1wok n PRO 915 Ca -0.21 -1.73 -0.07 0.00 -0.04 0.00 0.00 63.50 61.46 1wok n PRO 915 Cb 0.66 -2.50 0.01 0.00 -0.04 0.00 0.00 33.50 31.63 1wok n PRO 915 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 1wok n ILE 916 N 3.30 -0.09 -4.09 0.52 -5.35 -1.26 0.27 119.36 112.66 1wok n ILE 916 Ca 0.64 -1.32 -0.24 0.00 -0.27 0.00 0.00 62.75 61.55 1wok n ILE 916 Cb 0.43 0.87 -0.07 0.00 -1.74 0.00 0.00 39.64 39.13 1wok n ILE 916 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1wok s GLY 917 N 0.26 2.33 0.13 3.28 0.00 -1.21 -4.99 107.32 107.11 1wok s GLY 917 Ca 0.31 -2.07 0.07 0.00 0.00 0.00 0.00 44.72 43.03 1wok s GLY 917 CO -0.10 -1.90 -0.08 0.48 0.00 0.00 0.00 173.10 171.50 1wok s LEU 918 N -3.93 3.10 0.50 0.66 2.34 -1.26 -3.14 118.68 116.95 1wok s LEU 918 Ca 0.41 -0.41 0.01 0.00 0.06 0.00 0.00 54.13 54.21 1wok s LEU 918 Cb 0.03 -1.85 -0.01 0.00 -0.56 0.00 0.00 46.19 43.80 1wok s LEU 918 CO 0.23 0.15 0.03 -0.51 -1.06 0.00 0.00 176.35 175.19 1wok s ILE 919 N -1.39 0.99 0.05 1.48 -1.16 -1.26 -4.23 121.20 115.68 1wok s ILE 919 Ca 0.23 -2.00 -0.05 0.00 -0.51 0.00 0.00 60.65 58.32 1wok s ILE 919 Cb -0.10 -2.14 -0.02 0.00 0.61 0.00 0.00 42.46 40.81 1wok s ILE 919 CO 0.15 0.00 0.08 -0.22 -2.81 0.00 0.00 174.94 172.14 1wok s LEU 920 N -3.84 1.89 -0.02 8.50 0.20 -1.20 -2.86 118.68 121.36 1wok s LEU 920 Ca 0.07 -0.67 0.01 0.00 0.69 0.00 0.00 54.13 54.24 1wok s LEU 920 Cb 0.01 0.59 0.01 0.00 -0.43 0.00 0.00 46.19 46.37 1wok s LEU 920 CO 0.04 -0.57 -0.03 -0.76 -0.29 0.00 0.00 176.35 174.75 1wok s LEU 921 N -2.45 1.64 0.14 -0.68 1.43 -0.41 -3.04 118.68 115.31 1wok s LEU 921 Ca -0.00 -0.06 -0.24 0.00 -1.03 0.00 0.00 54.13 52.79 1wok s LEU 921 Cb 0.02 -0.24 0.07 0.00 0.03 0.00 0.00 46.19 46.07 1wok s LEU 921 CO -0.07 -0.01 0.78 -0.83 0.23 0.00 0.00 176.35 176.44 1wok s GLY 922 N 0.40 -0.38 -0.08 -3.19 0.00 -1.06 -2.37 107.32 100.65 1wok s GLY 922 Ca -0.04 0.38 0.00 0.00 0.00 0.00 0.00 44.72 45.06 1wok s GLY 922 CO -0.01 0.12 -0.06 -1.83 0.00 0.00 0.00 173.10 171.32 1wok s GLU 923 N -3.52 2.86 0.14 2.90 -1.05 -1.19 -1.80 118.70 117.03 1wok s GLU 923 Ca 0.07 -0.53 0.11 0.00 -0.15 0.00 0.00 54.97 54.47 1wok s GLU 923 Cb -0.02 -2.64 -0.04 0.00 -0.44 0.00 0.00 34.13 30.99 1wok s GLU 923 CO -0.04 0.63 -0.25 0.14 0.95 0.00 0.00 175.26 176.68 1wok s VAL 924 N -0.71 2.34 -1.29 1.83 -7.23 -1.24 -2.99 120.40 111.11 1wok s VAL 924 Ca 0.11 -1.78 -0.17 0.00 -1.81 0.00 0.00 61.98 58.33 1wok s VAL 924 Cb -0.11 -2.06 0.09 0.00 0.56 0.00 0.00 36.38 34.86 1wok s VAL 924 CO 0.02 0.06 1.70 0.00 -0.31 0.00 0.00 175.10 176.56 1wok n ALA 925 N 0.79 3.67 0.25 1.32 0.00 -0.97 -4.12 120.51 121.44 1wok n ALA 925 Ca -0.17 -3.92 0.08 0.00 0.00 0.00 0.00 53.44 49.43 1wok n ALA 925 Cb 0.53 -3.51 0.61 0.00 0.00 0.00 0.00 19.45 17.09 1wok n ALA 925 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1wok h LEU 926 N 11.97 0.00 0.00 0.00 3.38 -1.64 -3.45 115.31 125.57 1wok h LEU 926 Ca 0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.40 1wok h LEU 926 Cb 0.86 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1wok h LEU 926 CO 1.43 0.10 0.00 0.61 0.09 0.00 0.00 178.44 180.67 1wok n GLY 927 N -1.20 2.89 3.37 0.83 0.00 -0.77 -2.76 105.19 107.56 1wok n GLY 927 Ca -0.03 -0.17 -0.45 0.00 0.00 0.00 0.00 46.02 45.37 1wok n GLY 927 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1wok s ASN 928 N -4.00 6.21 0.26 1.61 2.47 -1.26 -4.51 114.94 115.72 1wok s ASN 928 Ca 0.00 -1.49 -0.30 0.00 0.42 0.00 0.00 52.86 51.50 1wok s ASN 928 Cb 0.00 -2.30 -0.09 0.00 -1.45 0.00 0.00 41.25 37.41 1wok s ASN 928 CO 0.00 -1.10 1.07 0.00 -3.72 0.00 0.00 177.10 173.35 1wok s MET 929 N 2.60 4.68 -0.56 0.43 0.23 -1.25 -0.88 119.30 124.55 1wok s MET 929 Ca 0.12 1.74 -0.11 0.00 -1.03 0.00 0.00 55.69 56.40 1wok s MET 929 Cb -0.24 -3.22 0.14 0.00 -1.53 0.00 0.00 34.83 29.99 1wok s MET 929 CO 0.05 0.26 0.46 -0.47 -2.03 0.00 0.00 175.02 173.29 1wok s TYR 930 N -1.07 3.42 -0.22 3.16 5.04 -0.12 -4.84 117.35 122.72 1wok s TYR 930 Ca 0.44 -1.79 -0.22 0.00 -2.44 0.00 0.00 57.07 53.07 1wok s TYR 930 Cb -0.31 -3.61 -0.02 0.00 0.35 0.00 0.00 41.96 38.37 1wok s TYR 930 CO 0.39 -0.99 0.70 -1.83 -1.34 0.00 0.00 175.55 172.48 1wok s GLU 931 N 1.14 4.19 0.29 4.97 -1.05 -1.25 -2.48 118.70 124.51 1wok s GLU 931 Ca 0.08 0.73 0.08 0.00 -0.15 0.00 0.00 54.97 55.70 1wok s GLU 931 Cb -0.25 -3.61 -0.04 0.00 -0.44 0.00 0.00 34.13 29.80 1wok s GLU 931 CO -0.01 -0.35 0.13 -0.51 0.95 0.00 0.00 175.26 175.46 1wok s LEU 932 N 2.29 3.45 0.00 1.83 1.43 -0.25 -4.92 118.68 122.51 1wok s LEU 932 Ca 0.31 -0.53 0.00 0.00 -1.03 0.00 0.00 54.13 52.88 1wok s LEU 932 Cb -0.16 -1.98 0.00 0.00 0.03 0.00 0.00 46.19 44.09 1wok s LEU 932 CO 0.10 -0.12 0.75 0.29 0.23 0.00 0.00 176.35 177.60 1wok n LYS 933 N -1.10 1.50 -4.00 1.70 5.02 -1.26 -2.32 118.16 117.71 1wok n LYS 933 Ca -0.06 -1.00 -0.09 0.00 -2.02 0.00 0.00 58.31 55.14 1wok n LYS 933 Cb 0.59 -0.75 -0.11 0.00 -0.02 0.00 0.00 35.03 34.74 1wok n LYS 933 CO 0.00 0.00 0.00 -3.38 -0.52 0.00 0.00 177.40 173.50 1wok s HIS 934 N -0.50 0.34 0.31 2.13 -3.43 -1.26 -1.57 115.29 111.32 1wok s HIS 934 Ca 0.00 -0.57 -0.30 0.00 -0.80 0.00 0.00 55.06 53.39 1wok s HIS 934 Cb 0.00 -0.24 -0.11 0.00 -1.43 0.00 0.00 32.58 30.80 1wok s HIS 934 CO 0.00 -0.19 1.59 0.00 -2.00 0.00 0.00 174.74 174.14 1wok n ALA 935 N 1.45 2.60 -3.61 -1.38 0.00 -1.26 -5.01 120.51 113.30 1wok n ALA 935 Ca -0.23 0.36 -0.10 0.00 0.00 0.00 0.00 53.44 53.47 1wok n ALA 935 Cb 0.55 -2.47 -0.09 0.00 0.00 0.00 0.00 19.45 17.44 1wok n ALA 935 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1wok s SER 936 N 0.39 -0.64 -1.23 0.00 0.15 -0.53 -5.07 113.70 106.77 1wok s SER 936 Ca 0.62 1.10 -0.08 0.00 0.70 0.00 0.00 55.95 58.28 1wok s SER 936 Cb -0.48 1.01 0.20 0.00 -1.71 0.00 0.00 66.02 65.04 1wok s SER 936 CO 0.51 -0.20 1.80 1.41 1.20 0.00 0.00 173.24 177.96 1wok n HIS 937 N 3.89 2.74 -1.62 3.44 8.25 -1.26 -3.30 115.22 127.36 1wok n HIS 937 Ca -0.20 -2.73 -0.46 0.00 -0.26 0.00 0.00 57.72 54.07 1wok n HIS 937 Cb 0.56 -1.78 -0.03 0.00 1.12 0.00 0.00 29.99 29.87 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 2.79 1.26 -0.03 1.59 2.08 -1.25 -4.81 119.36 121.00 1wok n ILE 938 Ca 0.37 -0.32 -0.07 0.00 0.56 0.00 0.00 62.75 63.29 1wok n ILE 938 Cb 0.35 -1.17 -0.02 0.00 -0.75 0.00 0.00 39.64 38.05 1wok n ILE 938 CO 0.00 0.00 0.00 -0.24 0.56 0.00 0.00 176.55 176.87 1wok n SER 939 N 1.77 0.52 -4.24 4.38 2.88 -1.26 -4.59 113.62 113.08 1wok n SER 939 Ca 0.12 0.09 -0.28 0.00 -1.33 0.00 0.00 58.87 57.46 1wok n SER 939 Cb 0.30 -0.21 -0.16 0.00 -0.75 0.00 0.00 64.21 63.39 1wok n SER 939 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 1wok s LYS 940 N -2.13 1.84 0.30 -1.46 0.00 -1.26 -5.13 119.74 111.91 1wok s LYS 940 Ca -0.10 -0.79 -0.25 0.00 0.00 0.00 0.00 55.97 54.82 1wok s LYS 940 Cb 0.04 -1.76 -0.10 0.00 0.00 0.00 0.00 37.83 36.01 1wok s LYS 940 CO 0.12 0.46 0.91 -0.51 0.00 0.00 0.00 175.35 176.34 1wok s LEU 941 N -0.48 4.36 0.39 2.77 1.43 -1.26 -4.99 118.68 120.90 1wok s LEU 941 Ca 0.07 1.78 -0.28 0.00 -1.03 0.00 0.00 54.13 54.68 1wok s LEU 941 Cb -0.09 -3.93 -0.11 0.00 0.03 0.00 0.00 46.19 42.10 1wok s LEU 941 CO -0.00 -0.04 1.49 -2.65 0.23 0.00 0.00 176.35 175.37 1wok n PRO 942 N 0.64 2.62 -1.63 1.29 -0.02 -1.26 -4.81 135.00 131.83 1wok n PRO 942 Ca 0.01 0.92 -0.51 0.00 -2.02 0.00 0.00 63.50 61.91 1wok n PRO 942 Cb 0.50 -2.67 -0.05 0.00 -0.02 0.00 0.00 33.50 31.25 1wok n PRO 942 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1wok n LYS 943 N 0.32 1.50 0.00 -0.52 4.76 -1.26 -0.22 118.16 122.75 1wok n LYS 943 Ca 0.02 0.54 0.00 0.00 -2.87 0.00 0.00 58.31 56.00 1wok n LYS 943 Cb 0.39 -2.24 0.00 0.00 -1.84 0.00 0.00 35.03 31.34 1wok n LYS 943 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1wok n GLY 944 N 3.05 2.83 3.87 0.72 0.00 -1.26 -5.06 105.19 109.33 1wok n GLY 944 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.37 3.83 0.00 1.61 -0.14 0.69 -4.65 119.74 120.71 1wok s LYS 945 Ca 0.00 0.56 0.00 0.00 -1.36 0.00 0.00 55.97 55.17 1wok s LYS 945 Cb 0.00 -2.36 0.00 0.00 -1.68 0.00 0.00 37.83 33.79 1wok s LYS 945 CO 0.00 -0.05 0.00 0.72 -0.76 0.00 0.00 175.35 175.26 1wok n HIS 946 N -1.24 0.00 -4.24 3.18 8.25 -0.06 -4.80 115.22 116.30 1wok n HIS 946 Ca 0.03 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.37 1wok n HIS 946 Cb 0.54 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.62 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 -2.05 1.16 -3.79 0.41 3.41 -1.11 -4.60 113.62 107.05 1wok n SER 947 Ca 0.00 -2.01 -0.15 0.00 -0.26 0.00 0.00 58.87 56.45 1wok n SER 947 Cb 0.33 0.46 -0.16 0.00 -0.26 0.00 0.00 64.21 64.58 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 -2.23 0.02 0.05 -3.33 1.01 -0.79 -0.95 120.40 114.18 1wok s VAL 948 Ca 0.09 0.16 0.06 0.00 0.00 0.00 0.00 61.98 62.29 1wok s VAL 948 Cb 0.00 -0.13 -0.04 0.00 0.00 0.00 0.00 36.38 36.22 1wok s VAL 948 CO 0.06 0.10 -0.13 -0.75 0.00 0.00 0.00 175.10 174.39 1wok s LYS 949 N 0.97 2.20 -0.35 2.72 2.36 -1.04 -0.97 119.74 125.63 1wok s LYS 949 Ca -0.09 -0.94 0.04 0.00 -2.55 0.00 0.00 55.97 52.43 1wok s LYS 949 Cb -0.12 -2.30 0.10 0.00 -1.05 0.00 0.00 37.83 34.46 1wok s LYS 949 CO -0.02 0.54 0.07 0.20 1.55 0.00 0.00 175.35 177.69 1wok s GLY 950 N -1.71 1.97 -0.16 5.54 0.00 0.08 -1.10 107.32 111.95 1wok s GLY 950 Ca 0.18 -2.59 -0.30 0.00 0.00 0.00 0.00 44.72 42.01 1wok s GLY 950 CO 0.09 0.95 2.14 1.04 0.00 0.00 0.00 173.10 177.31 1wok n LEU 951 N 4.20 3.40 -4.99 0.66 4.77 -0.98 -2.86 117.00 121.21 1wok n LEU 951 Ca 0.04 0.45 -0.24 0.00 -0.03 0.00 0.00 56.01 56.23 1wok n LEU 951 Cb 0.41 -1.51 0.10 0.00 -2.33 0.00 0.00 43.42 40.10 1wok n LEU 951 CO 0.23 -0.42 0.55 -0.83 -1.33 0.00 0.00 177.39 175.59 1wok s GLY 952 N 6.96 1.76 0.07 -0.72 0.00 -1.26 -4.60 107.32 109.54 1wok s GLY 952 Ca 0.98 -1.68 0.27 0.00 0.00 0.00 0.00 44.72 44.29 1wok s GLY 952 CO 0.39 -1.13 1.85 1.17 0.00 0.00 0.00 173.10 175.38 1wok n LYS 953 N -2.83 0.08 -3.98 2.90 3.00 -0.97 -4.80 118.16 111.56 1wok n LYS 953 Ca 0.14 0.09 -0.09 0.00 -0.00 0.00 0.00 58.31 58.46 1wok n LYS 953 Cb 0.60 -1.60 -0.11 0.00 0.00 0.00 0.00 35.03 33.93 1wok n LYS 953 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 1wok s THR 954 N -3.04 0.12 -0.03 3.15 2.01 -1.12 -3.53 115.64 113.21 1wok s THR 954 Ca 0.12 -1.02 -0.29 0.00 0.31 0.00 0.00 61.69 60.81 1wok s THR 954 Cb 0.16 -0.49 0.07 0.00 0.01 0.00 0.00 72.50 72.25 1wok s THR 954 CO 0.52 -0.56 0.65 0.28 -0.69 0.00 0.00 174.62 174.82 1wok s THR 955 N -1.86 0.00 -0.27 -0.82 -1.32 0.14 -4.23 115.64 107.29 1wok s THR 955 Ca -0.12 -0.03 -0.36 0.00 -1.21 0.00 0.00 61.69 59.97 1wok s THR 955 Cb -0.07 -0.98 -0.12 0.00 -1.51 0.00 0.00 72.50 69.82 1wok s THR 955 CO -0.02 -0.02 2.03 -2.65 -2.21 0.00 0.00 174.62 171.75 1wok n PRO 956 N 0.80 1.40 -1.34 7.08 -0.02 -1.26 -0.62 135.00 141.04 1wok n PRO 956 Ca -0.19 0.45 -0.58 0.00 -2.02 0.00 0.00 63.50 61.16 1wok n PRO 956 Cb 0.58 -2.47 -0.11 0.00 -0.02 0.00 0.00 33.50 31.48 1wok n PRO 956 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1wok n ASP 957 N 8.31 1.14 0.04 2.55 -0.08 -1.14 -4.80 116.55 122.56 1wok n ASP 957 Ca 0.33 0.66 0.04 0.00 -1.51 0.00 0.00 54.79 54.32 1wok n ASP 957 Cb 0.24 -0.99 0.44 0.00 2.34 0.00 0.00 41.12 43.15 1wok n ASP 957 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1wok h PRO 958 N 9.48 0.46 -0.38 -0.67 0.13 -1.93 -2.62 132.00 136.47 1wok h PRO 958 Ca -0.17 -0.04 0.11 0.00 -0.87 0.00 0.00 66.00 65.04 1wok h PRO 958 Cb 1.39 -0.10 -0.02 0.00 0.13 0.00 0.00 31.00 32.41 1wok h PRO 958 CO 1.06 0.33 0.44 0.77 -0.23 0.00 0.00 178.00 180.37 1wok h SER 959 N 0.47 0.00 -3.40 1.44 0.02 -2.00 -3.38 113.55 106.70 1wok h SER 959 Ca 0.12 0.00 -0.37 0.00 -0.84 0.00 0.00 61.79 60.70 1wok h SER 959 Cb -0.01 0.00 -0.36 0.00 0.14 0.00 0.00 62.40 62.17 1wok h SER 959 CO -0.02 0.00 -0.75 0.00 -1.14 0.00 0.00 176.83 174.92 1wok s ALA 960 N -4.59 0.41 0.00 3.77 0.00 -0.99 -5.10 121.76 115.26 1wok s ALA 960 Ca -0.04 0.09 0.00 0.00 0.00 0.00 0.00 51.96 52.01 1wok s ALA 960 Cb 0.15 -0.48 0.00 0.00 0.00 0.00 0.00 23.12 22.79 1wok s ALA 960 CO 0.53 -0.24 0.00 0.27 0.00 0.00 0.00 175.76 176.32 1wok n ASN 961 N 4.58 0.00 -3.44 0.00 0.23 -1.26 -3.72 115.26 111.65 1wok n ASN 961 Ca -0.18 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.87 1wok n ASN 961 Cb 0.50 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.20 1wok n ASN 961 CO 0.00 0.00 0.00 -0.38 -0.93 0.00 0.00 177.26 175.95 1wok n ILE 962 N 0.00 0.00 -0.35 1.53 2.08 -1.20 -4.81 119.36 116.61 1wok n ILE 962 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 1wok n ILE 962 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 38.89 1wok n ILE 962 CO 0.00 0.00 0.00 -1.54 0.56 0.00 0.00 176.55 175.57 1wok n SER 963 N -1.53 0.00 0.00 4.38 3.41 -1.26 -3.31 113.62 115.30 1wok n SER 963 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1wok n SER 963 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1wok n SER 963 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1wok n LEU 964 N 0.00 0.00 0.00 1.04 -0.00 -0.98 -4.97 117.00 112.09 1wok n LEU 964 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1wok n LEU 964 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1wok n LEU 964 CO 0.00 0.00 0.00 -0.67 -0.00 0.00 0.00 177.39 176.72 1wok n ASP 965 N 0.00 -2.63 0.00 1.96 2.03 -1.26 -1.94 116.55 114.71 1wok n ASP 965 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1wok n ASP 965 Cb 0.00 -2.44 0.00 0.00 -0.72 0.00 0.00 41.12 37.96 1wok n ASP 965 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wok n GLY 966 N -0.14 3.04 3.48 0.27 0.00 -1.26 -5.06 105.19 105.52 1wok n GLY 966 Ca 0.00 -0.82 -0.32 0.00 0.00 0.00 0.00 46.02 44.89 1wok n GLY 966 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1wok n VAL 967 N 0.00 0.00 -4.26 1.61 0.24 -0.82 -4.61 118.33 110.50 1wok n VAL 967 Ca 0.00 -0.18 -0.19 0.00 -2.04 0.00 0.00 64.34 61.93 1wok n VAL 967 Cb 0.00 -0.78 -0.11 0.00 -1.47 0.00 0.00 33.84 31.47 1wok n VAL 967 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1wok s ASP 968 N -2.23 2.12 -0.14 -1.34 2.15 0.34 -2.31 116.67 115.25 1wok s ASP 968 Ca 0.61 -0.80 -0.03 0.00 0.43 0.00 0.00 52.55 52.76 1wok s ASP 968 Cb -0.21 -0.09 0.05 0.00 -0.30 0.00 0.00 42.92 42.38 1wok s ASP 968 CO 0.64 -0.11 0.06 0.68 -0.17 0.00 0.00 175.17 176.27 1wok s VAL 969 N -2.02 0.15 -1.33 1.11 -7.23 -1.21 -0.40 120.40 109.47 1wok s VAL 969 Ca 0.09 -0.15 -0.11 0.00 -1.81 0.00 0.00 61.98 60.01 1wok s VAL 969 Cb -0.06 -0.64 -0.06 0.00 0.56 0.00 0.00 36.38 36.19 1wok s VAL 969 CO 0.04 -0.12 2.50 -2.65 -0.31 0.00 0.00 175.10 174.56 1wok n PRO 970 N 5.20 2.91 -1.87 4.82 -0.02 -1.26 -3.27 135.00 141.51 1wok n PRO 970 Ca -0.07 -2.06 -0.40 0.00 -2.02 0.00 0.00 63.50 58.96 1wok n PRO 970 Cb 0.49 -2.82 0.04 0.00 -0.02 0.00 0.00 33.50 31.19 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 4.62 7.55 -4.50 2.45 -0.00 -1.26 -4.73 117.00 121.14 1wok n LEU 971 Ca 0.62 -4.79 -0.32 0.00 -0.00 0.00 0.00 56.01 51.52 1wok n LEU 971 Cb 0.25 -1.06 -0.12 0.00 -0.00 0.00 0.00 43.42 42.49 1wok n LEU 971 CO 0.85 1.73 -0.45 -0.83 -0.00 0.00 0.00 177.39 178.69 1wok s GLY 972 N -1.16 1.60 -0.91 1.47 0.00 -1.24 -4.86 107.32 102.22 1wok s GLY 972 Ca 0.53 -1.09 -0.32 0.00 0.00 0.00 0.00 44.72 43.84 1wok s GLY 972 CO -0.38 -0.94 2.62 -0.37 0.00 0.00 0.00 173.10 174.02 1wok n THR 973 N 1.78 -0.00 -1.57 0.90 5.66 -1.26 -2.90 114.28 116.89 1wok n THR 973 Ca -0.16 -0.04 -0.54 0.00 -3.05 0.00 0.00 64.05 60.25 1wok n THR 973 Cb 0.52 -0.63 -0.07 0.00 -1.55 0.00 0.00 70.33 68.60 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 6.59 0.71 1.96 1.09 0.00 -1.26 -3.41 105.19 110.87 1wok n GLY 974 Ca 0.63 0.94 -0.14 0.00 0.00 0.00 0.00 46.02 47.45 1wok n GLY 974 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1wok n ILE 975 N 5.80 0.00 -2.98 -0.61 0.13 0.21 -4.73 119.36 117.17 1wok n ILE 975 Ca 0.34 -1.15 -0.41 0.00 -1.10 0.00 0.00 62.75 60.43 1wok n ILE 975 Cb 0.17 -0.18 -0.05 0.00 -0.84 0.00 0.00 39.64 38.74 1wok n ILE 975 CO 0.00 0.00 0.00 -0.55 2.80 0.00 0.00 176.55 178.80 1wok s SER 976 N -2.64 6.85 0.98 9.51 0.15 -1.26 0.27 113.70 127.56 1wok s SER 976 Ca 0.14 1.04 -0.16 0.00 0.70 0.00 0.00 55.95 57.67 1wok s SER 976 Cb -0.01 -2.41 0.20 0.00 -1.71 0.00 0.00 66.02 62.09 1wok s SER 976 CO 0.09 -0.34 1.27 -0.94 1.20 0.00 0.00 173.24 174.51 1wok s SER 977 N 1.16 2.92 0.15 5.45 1.04 -1.23 -4.92 113.70 118.26 1wok s SER 977 Ca 0.34 0.41 0.04 0.00 0.48 0.00 0.00 55.95 57.22 1wok s SER 977 Cb -0.16 -0.55 -0.08 0.00 0.10 0.00 0.00 66.02 65.33 1wok s SER 977 CO 0.12 -2.87 1.33 1.23 0.98 0.00 0.00 173.24 174.03 1wok h GLY 978 N -1.73 0.14 -5.72 7.32 0.00 -1.93 -3.46 103.07 97.69 1wok h GLY 978 Ca -0.45 -0.28 -0.64 0.00 0.00 0.00 0.00 47.33 45.96 1wok h GLY 978 CO 0.41 0.25 0.95 -0.62 0.00 0.00 0.00 176.54 177.53 1wok n VAL 979 N -3.55 0.37 -1.31 4.60 0.31 -1.26 -4.87 118.33 112.62 1wok n VAL 979 Ca -0.03 -0.07 0.02 0.00 -0.01 0.00 0.00 64.34 64.25 1wok n VAL 979 Cb 0.87 -1.58 0.02 0.00 -0.91 0.00 0.00 33.84 32.24 1wok n VAL 979 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 1wok n ASN 980 N 5.45 0.59 -0.54 4.52 6.94 -1.26 -4.67 115.26 126.29 1wok n ASN 980 Ca 0.22 -1.85 0.07 0.00 -0.02 0.00 0.00 54.58 52.99 1wok n ASN 980 Cb 0.25 -0.15 0.16 0.00 -2.36 0.00 0.00 39.78 37.67 1wok n ASN 980 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 1wok n ASP 981 N -0.28 1.71 -4.96 0.53 5.75 -1.26 -5.05 116.55 113.00 1wok n ASP 981 Ca 0.02 -3.35 -0.22 0.00 -0.01 0.00 0.00 54.79 51.24 1wok n ASP 981 Cb 0.58 -0.46 -0.01 0.00 -1.03 0.00 0.00 41.12 40.20 1wok n ASP 981 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 1wok s THR 982 N -2.58 4.96 -0.13 2.12 -1.32 -1.26 -4.87 115.64 112.56 1wok s THR 982 Ca 0.34 -0.73 0.03 0.00 -1.21 0.00 0.00 61.69 60.12 1wok s THR 982 Cb 0.32 -3.78 -0.24 0.00 -1.51 0.00 0.00 72.50 67.30 1wok s THR 982 CO -0.05 -0.41 0.30 -1.54 -2.21 0.00 0.00 174.62 170.72 1wok n SER 983 N -1.65 1.54 -4.77 8.08 3.41 -0.61 -4.94 113.62 114.68 1wok n SER 983 Ca -0.05 0.18 -0.32 0.00 -0.26 0.00 0.00 58.87 58.42 1wok n SER 983 Cb 0.57 -0.37 0.08 0.00 -0.26 0.00 0.00 64.21 64.23 1wok n SER 983 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1wok s LEU 984 N -6.53 3.13 -0.08 1.04 1.43 -1.26 -4.96 118.68 111.44 1wok s LEU 984 Ca -0.19 1.87 0.16 0.00 -1.03 0.00 0.00 54.13 54.94 1wok s LEU 984 Cb 0.07 -4.53 -0.24 0.00 0.03 0.00 0.00 46.19 41.53 1wok s LEU 984 CO 0.76 -1.92 0.24 -0.11 0.23 0.00 0.00 176.35 175.55 1wok n LEU 985 N -3.23 0.00 -4.11 1.79 7.94 -1.26 -3.22 117.00 114.91 1wok n LEU 985 Ca 0.09 0.00 -0.09 0.00 -1.11 0.00 0.00 56.01 54.90 1wok n LEU 985 Cb 0.53 0.16 -0.10 0.00 0.53 0.00 0.00 43.42 44.54 1wok n LEU 985 CO 0.52 0.16 -0.27 -0.31 -1.11 0.00 0.00 177.39 176.38 1wok s TYR 986 N -2.86 0.74 0.86 1.96 2.02 -1.26 -2.30 117.35 116.51 1wok s TYR 986 Ca -0.07 -1.14 -0.11 0.00 -0.37 0.00 0.00 57.07 55.38 1wok s TYR 986 Cb 0.08 -0.41 0.11 0.00 -0.40 0.00 0.00 41.96 41.34 1wok s TYR 986 CO 0.69 -0.52 1.09 -0.80 -1.57 0.00 0.00 175.55 174.45 1wok s ASN 987 N -3.01 3.77 -0.05 2.29 0.01 -1.26 -4.00 114.94 112.69 1wok s ASN 987 Ca 0.20 1.66 -0.13 0.00 -0.71 0.00 0.00 52.86 53.88 1wok s ASN 987 Cb 0.07 -2.33 0.03 0.00 0.41 0.00 0.00 41.25 39.42 1wok s ASN 987 CO -0.01 -2.47 0.31 -1.61 -1.51 0.00 0.00 177.10 171.81 1wok s GLU 988 N -4.89 0.56 -0.05 -0.60 2.02 -1.13 -4.54 118.70 110.05 1wok s GLU 988 Ca 0.63 0.04 0.02 0.00 0.02 0.00 0.00 54.97 55.67 1wok s GLU 988 Cb -0.18 0.25 0.02 0.00 0.10 0.00 0.00 34.13 34.32 1wok s GLU 988 CO 0.57 -0.13 -0.08 0.71 0.02 0.00 0.00 175.26 176.35 1wok s TYR 989 N -0.78 1.07 -0.09 1.61 1.51 0.22 -0.74 117.35 120.16 1wok s TYR 989 Ca -0.09 -0.36 -0.01 0.00 -1.01 0.00 0.00 57.07 55.60 1wok s TYR 989 Cb -0.04 -0.85 0.03 0.00 -0.11 0.00 0.00 41.96 40.99 1wok s TYR 989 CO 0.03 -0.23 -0.00 0.42 -1.11 0.00 0.00 175.55 174.65 1wok s ILE 990 N 0.82 0.47 0.22 2.71 1.09 -0.14 0.25 121.20 126.62 1wok s ILE 990 Ca -0.12 -0.01 0.07 0.00 -1.10 0.00 0.00 60.65 59.49 1wok s ILE 990 Cb -0.15 -0.65 -0.04 0.00 -1.06 0.00 0.00 42.46 40.56 1wok s ILE 990 CO 0.02 0.22 0.12 0.68 -0.10 0.00 0.00 174.94 175.87 1wok s VAL 991 N 1.93 4.18 -0.22 2.92 -7.23 -1.11 -1.89 120.40 118.98 1wok s VAL 991 Ca 0.04 -1.40 0.11 0.00 -1.81 0.00 0.00 61.98 58.92 1wok s VAL 991 Cb -0.13 -3.20 0.43 0.00 0.56 0.00 0.00 36.38 34.04 1wok s VAL 991 CO -0.06 -0.25 1.21 -1.22 -0.31 0.00 0.00 175.10 174.48 1wok n TYR 992 N -0.73 0.36 -3.44 2.82 4.02 -1.26 -2.27 117.16 116.66 1wok n TYR 992 Ca -0.08 -1.58 -0.17 0.00 -0.01 0.00 0.00 57.90 56.06 1wok n TYR 992 Cb 0.57 -0.26 -0.11 0.00 -0.02 0.00 0.00 39.34 39.51 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 -3.27 1.36 0.36 7.72 -1.08 -1.26 -5.02 116.67 115.48 1wok s ASP 993 Ca 0.40 -0.35 0.17 0.00 -0.52 0.00 0.00 52.55 52.25 1wok s ASP 993 Cb 0.38 0.51 1.23 0.00 -1.46 0.00 0.00 42.92 43.57 1wok s ASP 993 CO -0.06 -0.34 1.59 0.40 0.52 0.00 0.00 175.17 177.28 1wok h ILE 994 N 6.28 0.05 0.00 4.11 1.08 -1.92 1.04 117.51 128.16 1wok h ILE 994 Ca -0.16 -0.02 0.00 0.00 -0.39 0.00 0.00 64.86 64.29 1wok h ILE 994 Cb 1.13 -0.01 0.00 0.00 -3.07 0.00 0.00 36.82 34.87 1wok h ILE 994 CO 0.30 0.01 0.00 0.00 -0.69 0.00 0.00 178.15 177.77 1wok n ALA 995 N -2.38 2.13 -1.66 1.87 0.00 -1.26 -2.83 120.51 116.37 1wok n ALA 995 Ca 0.35 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.69 1wok n ALA 995 Cb 1.17 -1.00 0.14 0.00 0.00 0.00 0.00 19.45 19.76 1wok n ALA 995 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1wok n GLN 996 N -0.24 2.38 -3.57 0.00 7.27 0.36 -4.19 117.38 119.39 1wok n GLN 996 Ca 0.00 -3.53 -0.13 0.00 0.07 0.00 0.00 57.00 53.41 1wok n GLN 996 Cb 0.07 -1.95 -0.06 0.00 2.41 0.00 0.00 30.24 30.72 1wok n GLN 996 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 1wok s VAL 997 N -3.79 0.00 -0.11 1.69 0.11 -1.13 -2.30 120.40 114.87 1wok s VAL 997 Ca 0.46 0.00 -0.08 0.00 -2.93 0.00 0.00 61.98 59.44 1wok s VAL 997 Cb 0.41 -1.00 0.04 0.00 -1.53 0.00 0.00 36.38 34.30 1wok s VAL 997 CO -0.01 0.00 0.29 0.21 -3.33 0.00 0.00 175.10 172.26 1wok s ASN 998 N -0.92 -0.31 0.04 3.54 2.47 -1.16 -4.72 114.94 113.87 1wok s ASN 998 Ca -0.04 0.60 -0.26 0.00 0.42 0.00 0.00 52.86 53.58 1wok s ASN 998 Cb -0.01 0.53 -0.05 0.00 -1.45 0.00 0.00 41.25 40.27 1wok s ASN 998 CO 0.03 -0.14 0.81 -0.76 -3.72 0.00 0.00 177.10 173.32 1wok s LEU 999 N 0.79 4.44 -0.14 3.21 1.43 -1.26 -3.17 118.68 123.99 1wok s LEU 999 Ca -0.05 1.50 -0.08 0.00 -1.03 0.00 0.00 54.13 54.47 1wok s LEU 999 Cb -0.06 -3.30 -0.06 0.00 0.03 0.00 0.00 46.19 42.79 1wok s LEU 999 CO -0.05 -0.03 -0.20 0.29 0.23 0.00 0.00 176.35 176.59 1wok n LYS 1000N 2.97 0.32 -4.21 1.70 4.76 -1.11 -4.60 118.16 117.99 1wok n LYS 1000Ca -0.01 0.14 -0.19 0.00 -2.87 0.00 0.00 58.31 55.38 1wok n LYS 1000Cb 0.50 -1.04 -0.12 0.00 -1.84 0.00 0.00 35.03 32.54 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 -2.31 1.35 -0.43 2.13 2.02 -1.00 -2.77 117.35 116.34 1wok s TYR 1001Ca -0.21 -0.49 0.02 0.00 -0.37 0.00 0.00 57.07 56.02 1wok s TYR 1001Cb 0.07 -0.74 0.13 0.00 -0.40 0.00 0.00 41.96 41.03 1wok s TYR 1001CO 0.26 0.11 0.23 -1.17 -1.57 0.00 0.00 175.55 173.41 1wok s LEU 1002N -2.03 2.58 0.00 -1.29 0.20 -0.85 -1.29 118.68 116.00 1wok s LEU 1002Ca 0.03 -2.56 0.00 0.00 0.69 0.00 0.00 54.13 52.29 1wok s LEU 1002Cb -0.08 -0.99 0.00 0.00 -0.43 0.00 0.00 46.19 44.69 1wok s LEU 1002CO 0.03 -0.28 0.00 0.18 -0.29 0.00 0.00 176.35 175.99 1wok n LEU 1003N 3.63 0.00 0.00 -0.68 4.32 -1.13 -3.42 117.00 119.72 1wok n LEU 1003Ca 0.08 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.07 1wok n LEU 1003Cb 0.35 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.15 1wok n LEU 1003CO 0.23 -0.43 0.00 1.17 -1.22 0.00 0.00 177.39 177.14 1wok n LYS 1004N -0.18 0.00 -4.01 3.23 0.00 -0.95 -3.97 118.16 112.27 1wok n LYS 1004Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 58.31 58.21 1wok n LYS 1004Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 34.98 1wok n LYS 1004CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.40 176.92 1wok s LEU 1005N 0.00 0.49 0.51 3.14 0.05 -1.19 -1.49 118.68 120.19 1wok s LEU 1005Ca 0.00 -1.09 -0.04 0.00 0.05 0.00 0.00 54.13 53.05 1wok s LEU 1005Cb 0.00 1.72 -0.01 0.00 -2.05 0.00 0.00 46.19 45.84 1wok s LEU 1005CO 0.00 -1.20 0.80 -1.59 -0.55 0.00 0.00 176.35 173.80 1wok s LYS 1006N -3.68 3.23 -0.07 1.48 -2.85 -1.23 -3.36 119.74 113.26 1wok s LYS 1006Ca 0.24 -0.01 0.11 0.00 -1.00 0.00 0.00 55.97 55.31 1wok s LYS 1006Cb -0.01 -2.38 0.29 0.00 -2.06 0.00 0.00 37.83 33.67 1wok s LYS 1006CO 0.12 -0.38 1.21 1.19 0.10 0.00 0.00 175.35 177.59 1wok n PHE 1007N -2.33 0.38 0.00 1.78 3.01 0.14 -3.55 117.46 116.89 1wok n PHE 1007Ca 0.02 -0.70 0.00 0.00 1.01 0.00 0.00 57.45 57.78 1wok n PHE 1007Cb 0.56 -0.13 0.00 0.00 -0.01 0.00 0.00 39.48 39.90 1wok n PHE 1007CO 0.00 0.00 0.00 0.27 1.01 0.00 0.00 176.76 178.04 1wok n ASN 1008N -0.41 0.00 -3.49 4.37 6.94 -1.24 -3.68 115.26 117.75 1wok n ASN 1008Ca 0.12 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.68 1wok n ASN 1008Cb 0.55 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.97 1wok n ASN 1008CO 0.00 0.00 0.00 0.49 -1.03 0.00 0.00 177.26 176.72 1wok n PHE 1009N 0.00 -1.27 -3.22 -2.53 3.01 -1.26 -3.58 117.46 108.61 1wok n PHE 1009Ca 0.00 0.00 -0.24 0.00 1.01 0.00 0.00 57.45 58.22 1wok n PHE 1009Cb 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.41 1wok n PHE 1009CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1wok n LYS 1010N -0.52 1.78 0.00 -1.08 4.76 -1.16 -4.84 118.16 117.10 1wok n LYS 1010Ca 0.00 -4.00 0.00 0.00 -2.87 0.00 0.00 58.31 51.44 1wok n LYS 1010Cb 0.00 -1.81 0.00 0.00 -1.84 0.00 0.00 35.03 31.38 1wok n LYS 1010CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44