#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2paw s SER 663 N 0.00 7.25 0.00 4.39 0.15 -1.26 -4.28 113.70 119.95 2paw s SER 663 Ca 0.00 1.49 0.26 0.00 0.70 0.00 0.00 55.95 58.40 2paw s SER 663 Cb 0.00 -2.48 0.76 0.00 -1.71 0.00 0.00 66.02 62.59 2paw s SER 663 CO 0.00 0.01 1.57 0.29 1.20 0.00 0.00 173.24 176.31 2paw n LYS 664 N 2.77 0.51 -2.52 5.44 5.02 -1.26 -4.92 118.16 123.20 2paw n LYS 664 Ca -0.02 -0.28 -0.32 0.00 -2.02 0.00 0.00 58.31 55.67 2paw n LYS 664 Cb 0.50 -1.49 -0.04 0.00 -0.02 0.00 0.00 35.03 33.98 2paw n LYS 664 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2paw s LEU 665 N -2.68 3.70 0.81 -0.35 1.02 -1.26 -5.04 118.68 114.88 2paw s LEU 665 Ca 0.20 1.55 -0.12 0.00 0.02 0.00 0.00 54.13 55.78 2paw s LEU 665 Cb 0.19 -4.46 0.09 0.00 0.02 0.00 0.00 46.19 42.02 2paw s LEU 665 CO 0.57 -0.52 1.16 0.00 0.02 0.00 0.00 176.35 177.58 2paw s ALA 666 N -2.51 1.88 0.14 4.21 0.00 -1.26 -4.79 121.76 119.42 2paw s ALA 666 Ca 0.59 0.66 -0.19 0.00 0.00 0.00 0.00 51.96 53.02 2paw s ALA 666 Cb -0.10 -3.43 0.02 0.00 0.00 0.00 0.00 23.12 19.61 2paw s ALA 666 CO 0.28 -2.22 1.71 -0.22 0.00 0.00 0.00 175.76 175.31 2paw h LYS 667 N -1.07 0.05 -0.91 0.00 3.64 -1.98 -2.57 116.57 113.73 2paw h LYS 667 Ca -0.45 -0.00 0.17 0.00 -1.27 0.00 0.00 60.65 59.10 2paw h LYS 667 Cb 1.27 -0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 33.01 2paw h LYS 667 CO 0.47 0.03 0.59 -1.35 -2.27 0.00 0.00 179.45 176.92 2paw h PRO 668 N 0.05 0.59 -0.05 1.90 0.11 -2.00 -1.06 132.00 131.55 2paw h PRO 668 Ca 0.13 -0.04 -0.18 0.00 0.11 0.00 0.00 66.00 66.02 2paw h PRO 668 Cb 0.18 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.15 2paw h PRO 668 CO -0.24 0.39 -0.76 0.82 -0.21 0.00 0.00 178.00 178.01 2paw h ILE 669 N 0.61 1.42 0.18 4.15 2.04 -1.83 -2.34 117.51 121.74 2paw h ILE 669 Ca 0.48 -2.26 -0.01 0.00 1.00 0.00 0.00 64.86 64.07 2paw h ILE 669 Cb 0.90 2.21 0.00 0.00 -0.74 0.00 0.00 36.82 39.19 2paw h ILE 669 CO -0.23 0.67 -0.09 1.56 0.00 0.00 0.00 178.15 180.07 2paw h GLN 670 N 0.20 -0.23 -0.16 2.37 4.20 -0.85 -0.69 115.11 119.94 2paw h GLN 670 Ca -0.03 0.02 0.02 0.00 0.06 0.00 0.00 58.65 58.71 2paw h GLN 670 Cb 1.33 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 29.16 2paw h GLN 670 CO 0.12 -0.00 0.11 -0.44 -0.67 0.00 0.00 178.83 177.95 2paw h ASP 671 N -0.43 0.12 -0.21 1.46 3.32 -1.35 -0.36 116.42 118.97 2paw h ASP 671 Ca -0.02 -0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.95 2paw h ASP 671 Cb 0.34 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 39.85 2paw h ASP 671 CO 0.04 0.09 -0.15 0.25 -1.72 0.00 0.00 179.24 177.75 2paw h LEU 672 N 0.14 0.49 -0.48 1.55 5.85 -1.11 -1.97 115.31 119.79 2paw h LEU 672 Ca 0.07 -0.44 -0.04 0.00 0.84 0.00 0.00 57.88 58.30 2paw h LEU 672 Cb 0.09 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 2paw h LEU 672 CO -0.01 0.83 0.15 0.40 -0.34 0.00 0.00 178.44 179.46 2paw h ILE 673 N 0.15 1.23 -0.81 4.05 1.08 -0.22 -1.95 117.51 121.04 2paw h ILE 673 Ca 0.04 -0.76 0.01 0.00 -0.39 0.00 0.00 64.86 63.75 2paw h ILE 673 Cb 0.66 0.82 -0.04 0.00 -3.07 0.00 0.00 36.82 35.20 2paw h ILE 673 CO 0.04 0.28 0.53 0.11 -0.69 0.00 0.00 178.15 178.42 2paw h LYS 674 N 0.64 1.06 -0.24 2.37 1.57 -1.11 -2.42 116.57 118.44 2paw h LYS 674 Ca 0.15 -0.07 -0.07 0.00 -1.87 0.00 0.00 60.65 58.79 2paw h LYS 674 Cb 0.28 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 2paw h LYS 674 CO -0.00 0.71 -0.14 1.98 -0.57 0.00 0.00 179.45 181.42 2paw h MET 675 N 1.09 0.52 0.00 3.15 4.05 -1.01 -2.69 114.93 120.04 2paw h MET 675 Ca 0.29 -0.24 -0.00 0.00 -0.28 0.00 0.00 59.70 59.47 2paw h MET 675 Cb -0.12 -0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 30.67 2paw h MET 675 CO -0.06 0.80 -0.01 -0.84 0.23 0.00 0.00 176.91 177.02 2paw h ILE 676 N 0.24 0.02 -0.57 1.77 3.07 -1.21 -3.10 117.51 117.73 2paw h ILE 676 Ca 0.05 -0.86 0.00 0.00 1.55 0.00 0.00 64.86 65.60 2paw h ILE 676 Cb 0.65 1.84 0.00 0.00 -0.27 0.00 0.00 36.82 39.04 2paw h ILE 676 CO 0.04 0.01 0.00 0.49 -1.05 0.00 0.00 178.15 177.64 2paw n PHE 677 N -3.10 1.21 -2.06 0.16 3.72 -0.93 -4.62 117.46 111.84 2paw n PHE 677 Ca 0.03 -0.61 -0.43 0.00 -0.05 0.00 0.00 57.45 56.39 2paw n PHE 677 Cb 0.46 -0.19 -0.03 0.00 -0.94 0.00 0.00 39.48 38.78 2paw n PHE 677 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 2paw s ASP 678 N -1.05 6.45 0.25 4.37 2.15 -1.02 -4.91 116.67 122.91 2paw s ASP 678 Ca 0.46 1.84 -0.03 0.00 0.43 0.00 0.00 52.55 55.24 2paw s ASP 678 Cb 0.29 -2.53 0.30 0.00 -0.30 0.00 0.00 42.92 40.68 2paw s ASP 678 CO 0.23 -1.16 1.77 0.58 -0.17 0.00 0.00 175.17 176.41 2paw h VAL 679 N 5.98 1.24 -0.23 1.11 2.07 -1.93 -2.79 116.25 121.71 2paw h VAL 679 Ca -0.36 -0.95 -0.06 0.00 0.82 0.00 0.00 66.70 66.16 2paw h VAL 679 Cb 1.16 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 2paw h VAL 679 CO 0.98 0.35 -0.11 -0.08 0.02 0.00 0.00 177.57 178.73 2paw h GLU 680 N 0.84 0.36 -0.39 1.57 4.81 -2.00 -1.64 114.58 118.14 2paw h GLU 680 Ca 0.17 -0.09 -0.15 0.00 -0.13 0.00 0.00 59.36 59.16 2paw h GLU 680 Cb 0.39 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 2paw h GLU 680 CO 0.01 0.48 -0.36 0.77 -0.73 0.00 0.00 179.01 179.18 2paw h SER 681 N 0.34 0.97 -0.55 1.04 0.02 -1.90 -0.42 113.55 113.05 2paw h SER 681 Ca 0.07 -0.43 -0.04 0.00 -0.84 0.00 0.00 61.79 60.55 2paw h SER 681 Cb 0.40 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.64 2paw h SER 681 CO 0.02 1.21 0.20 0.24 -1.14 0.00 0.00 176.83 177.36 2paw h MET 682 N 0.75 0.89 -0.13 3.45 2.86 -1.09 -1.62 114.93 120.04 2paw h MET 682 Ca 0.07 -0.16 -0.18 0.00 -2.06 0.00 0.00 59.70 57.37 2paw h MET 682 Cb 0.94 -0.14 0.01 0.00 0.06 0.00 0.00 31.60 32.46 2paw h MET 682 CO 0.09 0.76 -0.60 0.87 1.06 0.00 0.00 176.91 179.09 2paw h LYS 683 N 0.87 0.64 -0.65 1.72 1.57 -1.16 -2.76 116.57 116.80 2paw h LYS 683 Ca 0.20 -0.51 0.08 0.00 -1.87 0.00 0.00 60.65 58.55 2paw h LYS 683 Cb 0.23 0.10 -0.07 0.00 0.08 0.00 0.00 32.23 32.58 2paw h LYS 683 CO -0.01 1.13 0.30 -0.22 -0.57 0.00 0.00 179.45 180.08 2paw h LYS 684 N 0.30 0.52 -0.27 3.15 3.64 -0.87 0.73 116.57 123.77 2paw h LYS 684 Ca -0.04 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.32 2paw h LYS 684 Cb 1.24 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.92 2paw h LYS 684 CO 0.13 0.34 0.15 0.00 -2.27 0.00 0.00 179.45 177.80 2paw h ALA 685 N 1.40 0.33 -0.20 5.00 0.00 -1.24 -0.48 119.26 124.07 2paw h ALA 685 Ca 0.31 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.16 2paw h ALA 685 Cb 0.33 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2paw h ALA 685 CO -0.26 -0.23 -0.17 0.52 0.00 0.00 0.00 179.25 179.11 2paw h MET 686 N 0.31 0.34 -0.47 0.00 2.86 -1.14 -2.33 114.93 114.51 2paw h MET 686 Ca 0.11 -0.10 -0.14 0.00 -2.06 0.00 0.00 59.70 57.51 2paw h MET 686 Cb 0.00 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.62 2paw h MET 686 CO -0.05 0.51 -0.24 0.28 1.06 0.00 0.00 176.91 178.46 2paw h VAL 687 N 0.31 1.27 0.00 -2.22 2.07 -0.04 -1.38 116.25 116.26 2paw h VAL 687 Ca 0.06 -1.41 -0.05 0.00 0.82 0.00 0.00 66.70 66.12 2paw h VAL 687 Cb 0.48 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 2paw h VAL 687 CO 0.03 0.48 -0.21 -0.33 0.02 0.00 0.00 177.57 177.56 2paw h GLU 688 N 0.84 0.00 -0.05 1.57 5.08 -0.72 -0.74 114.58 120.56 2paw h GLU 688 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 2paw h GLU 688 Cb 0.82 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.07 2paw h GLU 688 CO 0.07 0.21 0.00 1.19 -1.00 0.00 0.00 179.01 179.49 2paw n PHE 689 N -4.05 0.06 -2.14 4.33 3.72 -0.91 -4.90 117.46 113.57 2paw n PHE 689 Ca -0.02 -0.03 -0.13 0.00 -0.05 0.00 0.00 57.45 57.22 2paw n PHE 689 Cb 0.29 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.82 2paw n PHE 689 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 2paw n GLU 690 N -0.44 -1.03 -2.85 -1.08 1.02 -0.29 -5.02 120.64 110.96 2paw n GLU 690 Ca 0.16 0.67 -0.35 0.00 -0.02 0.00 0.00 57.16 57.62 2paw n GLU 690 Cb 0.16 -4.88 -0.07 0.00 -0.02 0.00 0.00 31.44 26.63 2paw n GLU 690 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2paw s ILE 691 N -2.63 4.35 -0.59 -3.67 1.01 -0.54 -1.43 121.20 117.69 2paw s ILE 691 Ca 0.00 1.58 -0.23 0.00 0.00 0.00 0.00 60.65 62.01 2paw s ILE 691 Cb 0.00 -3.81 0.06 0.00 0.01 0.00 0.00 42.46 38.72 2paw s ILE 691 CO 0.00 -0.06 0.90 -0.62 0.00 0.00 0.00 174.94 175.16 2paw s ASP 692 N -1.89 6.24 0.34 3.58 -1.08 0.17 -4.44 116.67 119.59 2paw s ASP 692 Ca 0.55 -0.74 0.26 0.00 -0.52 0.00 0.00 52.55 52.09 2paw s ASP 692 Cb -0.14 -2.40 1.17 0.00 -1.46 0.00 0.00 42.92 40.09 2paw s ASP 692 CO 0.19 -1.27 1.78 -0.07 0.52 0.00 0.00 175.17 176.32 2paw h LEU 693 N 10.93 0.00 0.03 -1.34 3.38 -1.88 0.47 115.31 126.90 2paw h LEU 693 Ca -0.28 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.55 2paw h LEU 693 Cb 1.08 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.84 2paw h LEU 693 CO 1.11 0.00 -0.57 1.56 0.09 0.00 0.00 178.44 180.63 2paw h GLN 694 N 0.00 0.34 0.00 1.13 1.08 -1.98 -3.16 115.11 112.52 2paw h GLN 694 Ca 0.00 -0.40 -0.16 0.00 -1.45 0.00 0.00 58.65 56.64 2paw h GLN 694 Cb 0.28 0.12 -0.03 0.00 -0.05 0.00 0.00 27.48 27.81 2paw h GLN 694 CO 0.00 1.10 -1.29 0.87 -0.95 0.00 0.00 178.83 178.56 2paw h LYS 695 N -0.24 0.00 -2.53 1.46 1.79 -1.91 -3.41 116.57 111.73 2paw h LYS 695 Ca -0.08 0.00 -0.60 0.00 -2.18 0.00 0.00 60.65 57.79 2paw h LYS 695 Cb 1.32 0.00 -0.41 0.00 -1.58 0.00 0.00 32.23 31.56 2paw h LYS 695 CO 0.11 0.31 -0.73 -1.33 -1.08 0.00 0.00 179.45 176.73 2paw n MET 696 N -2.92 1.57 -1.43 3.15 2.81 0.16 -4.97 117.12 115.49 2paw n MET 696 Ca -0.08 -4.12 -0.30 0.00 -1.81 0.00 0.00 57.70 51.40 2paw n MET 696 Cb 0.82 -2.01 0.11 0.00 -0.71 0.00 0.00 33.22 31.43 2paw n MET 696 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 2paw s PRO 697 N -1.44 1.64 0.45 0.03 0.04 -1.19 -4.32 135.00 130.20 2paw s PRO 697 Ca 0.32 0.64 0.21 0.00 0.04 0.00 0.00 61.00 62.21 2paw s PRO 697 Cb 0.06 -1.87 1.18 0.00 0.04 0.00 0.00 34.50 33.92 2paw s PRO 697 CO -0.12 -1.93 1.89 -0.07 0.04 0.00 0.00 177.00 176.80 2paw h LEU 698 N -1.32 0.29 -0.25 -3.56 3.38 -1.98 -0.47 115.31 111.40 2paw h LEU 698 Ca -0.49 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.51 2paw h LEU 698 Cb 1.28 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.01 2paw h LEU 698 CO 0.58 0.12 0.00 0.61 0.09 0.00 0.00 178.44 179.84 2paw n GLY 699 N -1.57 -1.53 0.12 0.83 0.00 -1.26 -3.42 105.19 98.36 2paw n GLY 699 Ca 0.17 0.01 0.01 0.00 0.00 0.00 0.00 46.02 46.21 2paw n GLY 699 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2paw h LYS 700 N 0.00 0.00 -6.39 1.61 3.64 -1.42 -3.46 116.57 110.54 2paw h LYS 700 Ca 0.00 0.00 -0.61 0.00 -1.27 0.00 0.00 60.65 58.77 2paw h LYS 700 Cb 0.58 0.00 0.05 0.00 -0.41 0.00 0.00 32.23 32.45 2paw h LYS 700 CO 0.00 0.49 0.82 1.28 -2.27 0.00 0.00 179.45 179.77 2paw n LEU 701 N -3.15 2.91 -4.02 5.20 4.77 -1.22 -5.01 117.00 116.48 2paw n LEU 701 Ca -0.01 1.06 -0.11 0.00 -0.03 0.00 0.00 56.01 56.92 2paw n LEU 701 Cb 0.78 -1.36 -0.11 0.00 -2.33 0.00 0.00 43.42 40.40 2paw n LEU 701 CO 0.42 -0.36 -0.38 -0.94 -1.33 0.00 0.00 177.39 174.80 2paw s SER 702 N 1.74 0.50 0.19 -1.43 1.04 -1.26 -5.00 113.70 109.48 2paw s SER 702 Ca 0.84 -0.52 -0.12 0.00 0.48 0.00 0.00 55.95 56.63 2paw s SER 702 Cb -0.75 0.07 0.21 0.00 0.10 0.00 0.00 66.02 65.66 2paw s SER 702 CO 0.44 -0.26 1.72 0.11 0.98 0.00 0.00 173.24 176.23 2paw h LYS 703 N 4.57 0.26 -0.91 4.02 1.57 -1.97 -1.85 116.57 122.25 2paw h LYS 703 Ca -0.34 -0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.46 2paw h LYS 703 Cb 1.21 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 33.40 2paw h LYS 703 CO 0.41 0.17 0.59 0.00 -0.57 0.00 0.00 179.45 180.05 2paw h ARG 704 N 0.26 1.12 -0.22 3.15 -0.00 -1.99 0.65 114.38 117.37 2paw h ARG 704 Ca 0.26 -0.07 -0.00 0.00 -0.50 0.00 0.00 59.98 59.67 2paw h ARG 704 Cb 0.35 -0.25 -0.01 0.00 0.00 0.00 0.00 29.97 30.06 2paw h ARG 704 CO -0.33 0.74 0.12 0.37 0.00 0.00 0.00 179.97 180.87 2paw h GLN 705 N 1.16 0.30 -0.81 0.04 4.15 -1.81 -1.38 115.11 116.76 2paw h GLN 705 Ca 0.36 -0.03 -0.05 0.00 0.77 0.00 0.00 58.65 59.70 2paw h GLN 705 Cb -0.00 -0.06 -0.04 0.00 0.21 0.00 0.00 27.48 27.59 2paw h GLN 705 CO -0.12 0.27 0.32 0.82 -1.93 0.00 0.00 178.83 178.20 2paw h ILE 706 N 0.25 1.26 -0.61 2.39 2.04 -0.55 -0.78 117.51 121.51 2paw h ILE 706 Ca 0.08 -0.82 -0.08 0.00 1.00 0.00 0.00 64.86 65.03 2paw h ILE 706 Cb 0.06 0.30 -0.02 0.00 -0.74 0.00 0.00 36.82 36.41 2paw h ILE 706 CO -0.01 0.34 0.08 1.56 0.00 0.00 0.00 178.15 180.11 2paw h GLN 707 N 1.17 1.02 -0.82 2.37 4.20 -0.67 -0.46 115.11 121.93 2paw h GLN 707 Ca 0.27 -0.29 -0.04 0.00 0.06 0.00 0.00 58.65 58.65 2paw h GLN 707 Cb 0.21 -0.11 -0.04 0.00 0.30 0.00 0.00 27.48 27.84 2paw h GLN 707 CO -0.02 0.97 0.36 0.77 -0.67 0.00 0.00 178.83 180.23 2paw h SER 708 N 0.93 1.11 -0.74 1.46 0.02 -0.93 -1.64 113.55 113.75 2paw h SER 708 Ca 0.18 -0.16 -0.02 0.00 -0.84 0.00 0.00 61.79 60.95 2paw h SER 708 Cb 0.46 -0.29 -0.03 0.00 0.14 0.00 0.00 62.40 62.68 2paw h SER 708 CO 0.02 0.96 0.38 0.00 -1.14 0.00 0.00 176.83 177.05 2paw h ALA 709 N 1.20 0.95 -0.13 3.77 0.00 -0.56 -2.01 119.26 122.49 2paw h ALA 709 Ca 0.28 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.06 2paw h ALA 709 Cb 0.18 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2paw h ALA 709 CO -0.03 0.49 0.05 1.88 0.00 0.00 0.00 179.25 181.65 2paw h TYR 710 N 1.03 0.09 -0.99 0.00 0.05 -0.51 -1.53 116.97 115.11 2paw h TYR 710 Ca 0.26 0.01 0.04 0.00 0.05 0.00 0.00 58.73 59.09 2paw h TYR 710 Cb 0.08 -0.02 -0.06 0.00 1.01 0.00 0.00 36.73 37.74 2paw h TYR 710 CO 0.00 0.05 0.65 0.77 -1.05 0.00 0.00 178.16 178.59 2paw h SER 711 N 0.12 1.07 -0.46 3.88 0.02 -1.07 0.04 113.55 117.15 2paw h SER 711 Ca 0.05 -0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 60.96 2paw h SER 711 Cb 0.02 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.30 2paw h SER 711 CO -0.05 0.72 0.14 0.40 -1.14 0.00 0.00 176.83 176.90 2paw h ILE 712 N 1.24 1.23 0.00 3.27 2.04 -1.08 -1.04 117.51 123.16 2paw h ILE 712 Ca 0.40 -0.76 -0.05 0.00 1.00 0.00 0.00 64.86 65.45 2paw h ILE 712 Cb 0.04 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 2paw h ILE 712 CO -0.13 0.27 -0.24 -0.07 0.00 0.00 0.00 178.15 177.98 2paw h LEU 713 N 0.61 0.00 -0.06 1.44 3.38 -0.57 -0.89 115.31 119.22 2paw h LEU 713 Ca 0.15 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 2paw h LEU 713 Cb 0.28 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 2paw h LEU 713 CO -0.00 0.24 -0.05 -1.13 0.09 0.00 0.00 178.44 177.59 2paw h ASN 714 N 0.00 0.14 -0.71 -0.43 -1.24 -0.51 -1.59 115.58 111.24 2paw h ASN 714 Ca -0.00 -0.46 -0.05 0.00 0.71 0.00 0.00 56.30 56.50 2paw h ASN 714 Cb 0.43 -0.04 -0.03 0.00 0.73 0.00 0.00 38.32 39.40 2paw h ASN 714 CO 0.03 0.57 0.26 -0.33 -1.29 0.00 0.00 177.43 176.68 2paw h GLU 715 N -0.29 1.10 -0.21 6.67 5.08 -0.94 -2.56 114.58 123.42 2paw h GLU 715 Ca 0.01 -0.21 -0.16 0.00 -1.00 0.00 0.00 59.36 58.00 2paw h GLU 715 Cb 0.53 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 2paw h GLU 715 CO 0.01 0.91 -0.53 -0.24 -1.00 0.00 0.00 179.01 178.16 2paw h VAL 716 N 1.06 1.31 -0.62 3.13 3.04 -1.14 -1.94 116.25 121.09 2paw h VAL 716 Ca 0.24 -1.76 0.05 0.00 -1.01 0.00 0.00 66.70 64.22 2paw h VAL 716 Cb 0.24 1.72 -0.05 0.00 -2.01 0.00 0.00 31.29 31.19 2paw h VAL 716 CO -0.02 0.55 0.34 -0.61 -1.01 0.00 0.00 177.57 176.83 2paw h GLN 717 N 0.48 0.61 -0.41 4.17 -0.00 -1.17 -1.28 115.11 117.51 2paw h GLN 717 Ca 0.01 -0.04 -0.12 0.00 -0.00 0.00 0.00 58.65 58.51 2paw h GLN 717 Cb 1.09 -0.14 -0.01 0.00 0.00 0.00 0.00 27.48 28.41 2paw h GLN 717 CO 0.10 0.41 -0.22 1.96 0.00 0.00 0.00 178.83 181.08 2paw h GLN 718 N 0.63 0.82 -0.67 1.69 4.20 -1.25 -2.31 115.11 118.22 2paw h GLN 718 Ca 0.27 -0.33 -0.06 0.00 0.06 0.00 0.00 58.65 58.59 2paw h GLN 718 Cb 0.16 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.88 2paw h GLN 718 CO -0.17 0.96 0.19 0.00 -0.67 0.00 0.00 178.83 179.13 2paw h ALA 719 N 1.04 0.88 -0.51 3.87 0.00 -0.84 -0.21 119.26 123.48 2paw h ALA 719 Ca 0.10 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 2paw h ALA 719 Cb 0.74 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2paw h ALA 719 CO 0.06 0.57 0.07 0.28 0.00 0.00 0.00 179.25 180.23 2paw h VAL 720 N 0.98 1.25 -0.24 0.00 2.07 -1.14 0.71 116.25 119.89 2paw h VAL 720 Ca 0.21 -0.97 -0.10 0.00 0.82 0.00 0.00 66.70 66.67 2paw h VAL 720 Cb 0.33 0.88 -0.00 0.00 -1.52 0.00 0.00 31.29 30.98 2paw h VAL 720 CO -0.00 0.35 -0.24 0.28 0.02 0.00 0.00 177.57 177.97 2paw h SER 721 N 0.74 0.62 -0.18 0.57 0.02 -1.17 -3.16 113.55 110.98 2paw h SER 721 Ca 0.15 -0.48 0.00 0.00 -0.84 0.00 0.00 61.79 60.63 2paw h SER 721 Cb 0.42 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.79 2paw h SER 721 CO 0.01 0.97 0.00 0.47 -1.14 0.00 0.00 176.83 177.14 2paw n ASP 722 N -4.37 1.47 -2.47 3.07 8.00 -0.11 -4.94 116.55 117.20 2paw n ASP 722 Ca -0.05 -1.74 -0.10 0.00 0.71 0.00 0.00 54.79 53.61 2paw n ASP 722 Cb 0.43 -0.12 0.05 0.00 -0.02 0.00 0.00 41.12 41.47 2paw n ASP 722 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2paw n GLY 723 N 1.06 -0.13 3.83 0.44 0.00 -0.76 -5.03 105.19 104.60 2paw n GLY 723 Ca 0.14 -0.01 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 2paw n GLY 723 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2paw s GLY 724 N -3.60 1.65 0.32 -0.02 0.00 0.24 -4.97 107.32 100.94 2paw s GLY 724 Ca 0.10 -0.04 -0.26 0.00 0.00 0.00 0.00 44.72 44.52 2paw s GLY 724 CO 0.43 0.30 0.80 1.44 0.00 0.00 0.00 173.10 176.07 2paw n SER 725 N -3.14 0.29 0.25 1.64 7.64 -1.26 -4.84 113.62 114.20 2paw n SER 725 Ca 0.07 1.09 0.08 0.00 1.01 0.00 0.00 58.87 61.12 2paw n SER 725 Cb 0.54 -1.19 0.62 0.00 -1.01 0.00 0.00 64.21 63.17 2paw n SER 725 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 2paw h GLU 726 N 1.46 0.00 -0.17 1.43 3.07 -1.98 -1.69 114.58 116.70 2paw h GLU 726 Ca -0.38 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 58.40 2paw h GLU 726 Cb 1.37 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.27 2paw h GLU 726 CO 0.57 0.09 -0.22 0.66 -1.40 0.00 0.00 179.01 178.71 2paw h SER 727 N 0.00 0.30 -0.24 1.42 4.64 -1.99 -0.74 113.55 116.93 2paw h SER 727 Ca -0.00 -0.09 -0.12 0.00 -0.47 0.00 0.00 61.79 61.11 2paw h SER 727 Cb 0.17 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 62.18 2paw h SER 727 CO 0.01 0.54 -0.31 -0.61 -0.87 0.00 0.00 176.83 175.59 2paw h GLN 728 N 0.28 0.64 -0.53 4.77 5.75 -1.66 -1.00 115.11 123.37 2paw h GLN 728 Ca 0.05 -0.36 -0.07 0.00 -0.15 0.00 0.00 58.65 58.11 2paw h GLN 728 Cb 0.56 0.02 -0.02 0.00 1.07 0.00 0.00 27.48 29.11 2paw h GLN 728 CO 0.04 0.97 0.04 0.82 -2.65 0.00 0.00 178.83 178.05 2paw h ILE 729 N 0.35 1.24 -0.33 2.39 2.04 -1.22 0.62 117.51 122.60 2paw h ILE 729 Ca 0.03 -0.98 -0.13 0.00 1.00 0.00 0.00 64.86 64.78 2paw h ILE 729 Cb 0.88 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 37.75 2paw h ILE 729 CO 0.07 0.35 -0.29 0.25 0.00 0.00 0.00 178.15 178.54 2paw h LEU 730 N 0.82 0.83 -0.21 1.44 5.85 -1.09 -1.74 115.31 121.20 2paw h LEU 730 Ca 0.16 -0.46 -0.00 0.00 0.84 0.00 0.00 57.88 58.43 2paw h LEU 730 Cb 0.43 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 2paw h LEU 730 CO 0.01 1.11 0.13 -0.78 -0.34 0.00 0.00 178.44 178.58 2paw h ASP 731 N 0.55 0.25 0.00 1.25 3.58 -0.66 -1.24 116.42 120.15 2paw h ASP 731 Ca 0.06 -0.04 -0.06 0.00 0.42 0.00 0.00 57.03 57.41 2paw h ASP 731 Cb 0.86 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.84 2paw h ASP 731 CO 0.07 0.22 -0.16 -0.07 -2.88 0.00 0.00 179.24 176.42 2paw h LEU 732 N 0.26 0.30 -0.50 2.28 3.38 -0.87 -1.91 115.31 118.25 2paw h LEU 732 Ca 0.08 -0.07 -0.14 0.00 0.09 0.00 0.00 57.88 57.84 2paw h LEU 732 Cb 0.01 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 2paw h LEU 732 CO -0.01 0.48 -0.26 0.28 0.09 0.00 0.00 178.44 179.02 2paw h SER 733 N 0.29 0.98 -0.48 -0.43 0.02 -0.86 -1.48 113.55 111.59 2paw h SER 733 Ca 0.05 -0.39 -0.06 0.00 -0.84 0.00 0.00 61.79 60.56 2paw h SER 733 Cb 0.46 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.71 2paw h SER 733 CO 0.03 1.18 0.09 0.78 -1.14 0.00 0.00 176.83 177.76 2paw h ASN 734 N 0.81 0.76 0.01 3.07 2.35 -0.80 -1.15 115.58 120.64 2paw h ASN 734 Ca 0.10 -0.25 -0.08 0.00 -0.55 0.00 0.00 56.30 55.51 2paw h ASN 734 Cb 0.83 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.99 2paw h ASN 734 CO 0.07 0.82 -0.22 0.03 -1.65 0.00 0.00 177.43 176.48 2paw h ARG 735 N 0.67 0.35 -0.01 0.81 3.08 -1.29 -0.97 114.38 117.02 2paw h ARG 735 Ca 0.15 -0.12 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 2paw h ARG 735 Cb 0.38 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.40 2paw h ARG 735 CO 0.01 0.56 -0.01 0.35 -1.07 0.00 0.00 179.97 179.81 2paw h PHE 736 N 0.32 0.03 0.00 3.04 3.57 -0.95 -2.41 116.94 120.54 2paw h PHE 736 Ca 0.05 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.55 2paw h PHE 736 Cb 0.57 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.30 2paw h PHE 736 CO 0.01 0.50 0.00 1.88 -2.23 0.00 0.00 178.31 178.47 2paw h TYR 737 N -0.45 0.00 0.16 0.41 0.05 -1.13 -0.11 116.97 115.90 2paw h TYR 737 Ca 0.00 0.00 -0.30 0.00 0.05 0.00 0.00 58.73 58.48 2paw h TYR 737 Cb 0.50 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.24 2paw h TYR 737 CO 0.09 0.00 -1.41 1.15 -1.05 0.00 0.00 178.16 176.94 2paw h THR 738 N 0.00 1.32 -0.17 -2.88 2.02 -1.15 -3.18 112.91 108.86 2paw h THR 738 Ca 0.00 -2.87 -0.20 0.00 0.77 0.00 0.00 66.41 64.11 2paw h THR 738 Cb 0.41 2.90 0.01 0.00 -1.74 0.00 0.00 68.15 69.73 2paw h THR 738 CO 0.00 0.85 -0.68 0.25 0.37 0.00 0.00 175.52 176.31 2paw h LEU 739 N 0.09 0.89 -7.28 2.58 5.85 -1.07 -3.38 115.31 112.99 2paw h LEU 739 Ca -0.21 -0.61 -0.63 0.00 0.84 0.00 0.00 57.88 57.27 2paw h LEU 739 Cb 2.04 -0.26 -0.41 0.00 0.37 0.00 0.00 40.66 42.40 2paw h LEU 739 CO 0.21 1.35 -0.66 -0.63 -0.34 0.00 0.00 178.44 178.37 2paw s ILE 740 N -3.82 2.24 0.10 4.05 -1.09 -0.09 -5.09 121.20 117.51 2paw s ILE 740 Ca -0.11 -3.07 -0.34 0.00 -2.23 0.00 0.00 60.65 54.90 2paw s ILE 740 Cb 0.08 -2.56 -0.13 0.00 -1.58 0.00 0.00 42.46 38.26 2paw s ILE 740 CO 0.89 -0.82 1.64 -2.65 -1.23 0.00 0.00 174.94 172.77 2paw n PRO 741 N 3.27 2.13 -4.29 2.79 -0.02 -1.20 -4.46 135.00 133.22 2paw n PRO 741 Ca 0.06 0.77 -0.28 0.00 -2.02 0.00 0.00 63.50 62.03 2paw n PRO 741 Cb 0.33 -2.55 -0.10 0.00 -0.02 0.00 0.00 33.50 31.16 2paw n PRO 741 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 2paw s HIS 742 N 1.60 2.62 -0.29 6.00 3.76 -1.26 -0.66 115.29 127.05 2paw s HIS 742 Ca 0.82 -0.23 0.03 0.00 -0.15 0.00 0.00 55.06 55.53 2paw s HIS 742 Cb -0.69 -1.31 0.08 0.00 1.11 0.00 0.00 32.58 31.77 2paw s HIS 742 CO 0.41 0.48 -0.02 0.34 -0.85 0.00 0.00 174.74 175.10 2paw s ASP 743 N -2.63 4.40 0.00 1.40 2.15 -0.52 -4.55 116.67 116.92 2paw s ASP 743 Ca 0.23 -1.65 0.21 0.00 0.43 0.00 0.00 52.55 51.77 2paw s ASP 743 Cb -0.09 -1.44 0.53 0.00 -0.30 0.00 0.00 42.92 41.62 2paw s ASP 743 CO 0.14 -0.29 1.45 0.49 -0.17 0.00 0.00 175.17 176.79 2paw n PHE 744 N 4.45 0.63 -0.24 -5.34 3.72 -1.26 -4.80 117.46 114.63 2paw n PHE 744 Ca -0.06 -0.32 0.00 0.00 -0.05 0.00 0.00 57.45 57.02 2paw n PHE 744 Cb 0.42 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.96 2paw n PHE 744 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2paw n GLY 745 N 1.47 2.72 0.21 1.37 0.00 -1.26 -2.39 105.19 107.32 2paw n GLY 745 Ca 0.20 -0.27 0.09 0.00 0.00 0.00 0.00 46.02 46.04 2paw n GLY 745 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2paw n MET 746 N 13.47 1.28 -4.09 1.61 2.81 -1.26 -4.87 117.12 126.07 2paw n MET 746 Ca 0.00 -0.42 -0.23 0.00 -1.81 0.00 0.00 57.70 55.24 2paw n MET 746 Cb 0.00 -1.32 -0.04 0.00 -0.71 0.00 0.00 33.22 31.15 2paw n MET 746 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 2paw s LYS 747 N -1.91 2.99 0.40 0.03 -2.85 -1.00 -5.10 119.74 112.29 2paw s LYS 747 Ca 0.28 -0.97 -0.25 0.00 -1.00 0.00 0.00 55.97 54.03 2paw s LYS 747 Cb 0.14 -2.63 -0.09 0.00 -2.06 0.00 0.00 37.83 33.20 2paw s LYS 747 CO 0.22 0.43 1.11 0.15 0.10 0.00 0.00 175.35 177.36 2paw s LYS 748 N -3.68 4.11 0.00 1.78 -0.14 -1.26 -4.74 119.74 115.82 2paw s LYS 748 Ca 0.33 1.70 -0.30 0.00 -1.36 0.00 0.00 55.97 56.33 2paw s LYS 748 Cb -0.09 -2.63 -0.06 0.00 -1.68 0.00 0.00 37.83 33.37 2paw s LYS 748 CO 0.25 -0.23 1.41 -1.25 -0.76 0.00 0.00 175.35 174.77 2paw s PRO 749 N -2.35 4.28 0.34 -1.68 0.04 -1.26 -4.99 135.00 129.38 2paw s PRO 749 Ca 0.57 1.97 -0.28 0.00 0.04 0.00 0.00 61.00 63.31 2paw s PRO 749 Cb -0.27 -3.57 -0.09 0.00 0.04 0.00 0.00 34.50 30.61 2paw s PRO 749 CO 0.34 -0.58 1.16 -1.25 0.04 0.00 0.00 177.00 176.72 2paw s PRO 750 N 2.38 4.36 0.54 0.56 0.04 -1.26 -5.01 135.00 136.61 2paw s PRO 750 Ca 0.64 1.89 -0.18 0.00 0.04 0.00 0.00 61.00 63.39 2paw s PRO 750 Cb -0.32 -2.95 -0.06 0.00 0.04 0.00 0.00 34.50 31.21 2paw s PRO 750 CO 0.27 -0.07 1.05 -0.51 0.04 0.00 0.00 177.00 177.77 2paw s LEU 751 N -1.94 3.67 -1.51 -3.56 1.43 -1.26 -4.92 118.68 110.60 2paw s LEU 751 Ca 0.50 1.87 -0.09 0.00 -1.03 0.00 0.00 54.13 55.38 2paw s LEU 751 Cb -0.33 -4.55 -0.00 0.00 0.03 0.00 0.00 46.19 41.35 2paw s LEU 751 CO 0.42 -0.96 2.66 0.18 0.23 0.00 0.00 176.35 178.87 2paw n LEU 752 N -1.50 8.22 -0.17 1.79 4.77 -1.26 -4.28 117.00 124.57 2paw n LEU 752 Ca 0.09 -4.49 0.02 0.00 -0.03 0.00 0.00 56.01 51.60 2paw n LEU 752 Cb 0.53 -1.52 0.03 0.00 -2.33 0.00 0.00 43.42 40.13 2paw n LEU 752 CO 0.43 1.91 0.45 -1.54 -1.33 0.00 0.00 177.39 177.31 2paw n SER 753 N 3.45 1.91 -4.06 -1.43 3.41 -1.26 -4.89 113.62 110.76 2paw n SER 753 Ca 0.69 -1.69 -0.30 0.00 -0.26 0.00 0.00 58.87 57.31 2paw n SER 753 Cb 0.26 -0.04 -0.16 0.00 -0.26 0.00 0.00 64.21 64.00 2paw n SER 753 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2paw s ASN 754 N -0.74 2.68 0.38 4.04 3.84 -1.26 -5.01 114.94 118.87 2paw s ASN 754 Ca 0.06 -0.49 0.15 0.00 0.21 0.00 0.00 52.86 52.79 2paw s ASN 754 Cb 0.03 -1.20 1.02 0.00 -0.55 0.00 0.00 41.25 40.55 2paw s ASN 754 CO 0.04 -0.01 1.80 -0.07 -2.79 0.00 0.00 177.10 176.07 2paw h LEU 755 N 7.73 0.51 -0.20 3.21 3.38 -1.98 -2.14 115.31 125.83 2paw h LEU 755 Ca -0.36 0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.64 2paw h LEU 755 Cb 1.16 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.89 2paw h LEU 755 CO 0.53 0.15 -0.06 -0.33 0.09 0.00 0.00 178.44 178.82 2paw h GLU 756 N 0.48 0.38 -0.33 1.13 5.08 -1.99 -2.44 114.58 116.89 2paw h GLU 756 Ca 0.56 -0.15 -0.03 0.00 -1.00 0.00 0.00 59.36 58.74 2paw h GLU 756 Cb 1.27 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.49 2paw h GLU 756 CO -0.28 0.65 0.08 -0.92 -1.00 0.00 0.00 179.01 177.54 2paw h TYR 757 N 0.10 0.49 -0.38 4.33 3.20 -1.83 -1.20 116.97 121.66 2paw h TYR 757 Ca 0.05 -0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.81 2paw h TYR 757 Cb 0.51 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.62 2paw h TYR 757 CO 0.05 0.43 -0.07 0.82 -1.64 0.00 0.00 178.16 177.75 2paw h ILE 758 N 0.48 1.27 -0.69 1.81 2.04 -1.32 -1.64 117.51 119.46 2paw h ILE 758 Ca 0.11 -1.13 -0.03 0.00 1.00 0.00 0.00 64.86 64.81 2paw h ILE 758 Cb 0.18 1.23 -0.03 0.00 -0.74 0.00 0.00 36.82 37.46 2paw h ILE 758 CO -0.00 0.38 0.29 1.56 0.00 0.00 0.00 178.15 180.38 2paw h GLN 759 N 0.53 1.02 -0.76 2.37 7.50 -1.04 0.43 115.11 125.15 2paw h GLN 759 Ca 0.10 -0.17 0.00 0.00 0.50 0.00 0.00 58.65 59.08 2paw h GLN 759 Cb 0.58 -0.17 -0.04 0.00 0.05 0.00 0.00 27.48 27.90 2paw h GLN 759 CO 0.03 0.83 0.49 0.00 -1.50 0.00 0.00 178.83 178.69 2paw h ALA 760 N 1.14 1.43 -0.08 3.87 0.00 -1.10 -0.85 119.26 123.66 2paw h ALA 760 Ca 0.23 -0.06 -0.16 0.00 0.00 0.00 0.00 54.91 54.92 2paw h ALA 760 Cb 0.18 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2paw h ALA 760 CO -0.02 0.52 -0.63 0.87 0.00 0.00 0.00 179.25 179.99 2paw h LYS 761 N 1.04 0.29 -0.57 0.00 1.79 -0.25 -1.71 116.57 117.16 2paw h LYS 761 Ca 0.28 -0.21 -0.11 0.00 -2.18 0.00 0.00 60.65 58.43 2paw h LYS 761 Cb -0.10 0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 30.57 2paw h LYS 761 CO -0.06 0.83 -0.05 0.28 -1.08 0.00 0.00 179.45 179.36 2paw h VAL 762 N 0.21 1.27 -0.56 0.50 2.07 -0.38 -2.21 116.25 117.14 2paw h VAL 762 Ca -0.01 -1.21 -0.08 0.00 0.82 0.00 0.00 66.70 66.22 2paw h VAL 762 Cb 1.16 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 31.78 2paw h VAL 762 CO 0.10 0.43 0.04 1.56 0.02 0.00 0.00 177.57 179.72 2paw h GLN 763 N 0.94 0.96 -0.38 1.57 7.50 -1.00 -2.20 115.11 122.51 2paw h GLN 763 Ca 0.16 -0.29 0.05 0.00 0.50 0.00 0.00 58.65 59.07 2paw h GLN 763 Cb 0.62 -0.10 -0.05 0.00 0.05 0.00 0.00 27.48 28.00 2paw h GLN 763 CO 0.04 0.95 0.11 1.98 -1.50 0.00 0.00 178.83 180.40 2paw h MET 764 N 0.85 0.24 -0.53 1.46 4.05 -1.12 -1.80 114.93 118.08 2paw h MET 764 Ca 0.16 -0.01 -0.03 0.00 -0.28 0.00 0.00 59.70 59.54 2paw h MET 764 Cb 0.49 -0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 31.21 2paw h MET 764 CO 0.02 0.16 0.21 -0.07 0.23 0.00 0.00 176.91 177.46 2paw h LEU 765 N 0.25 0.70 -0.55 3.39 3.38 -1.20 0.58 115.31 121.86 2paw h LEU 765 Ca 0.18 -0.09 0.02 0.00 0.09 0.00 0.00 57.88 58.08 2paw h LEU 765 Cb 0.18 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 2paw h LEU 765 CO -0.20 0.63 0.34 0.44 0.09 0.00 0.00 178.44 179.74 2paw h ASP 766 N 0.76 0.56 -0.39 -0.43 3.32 -0.76 -1.08 116.42 118.40 2paw h ASP 766 Ca 0.18 -0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.14 2paw h ASP 766 Cb 0.16 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 2paw h ASP 766 CO -0.02 0.40 -0.11 0.78 -1.72 0.00 0.00 179.24 178.57 2paw h ASN 767 N 0.68 0.78 -0.07 6.45 2.35 -0.78 -3.03 115.58 121.96 2paw h ASN 767 Ca 0.22 -0.37 0.01 0.00 -0.55 0.00 0.00 56.30 55.61 2paw h ASN 767 Cb -0.00 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 38.15 2paw h ASN 767 CO -0.08 0.97 0.05 -0.07 -1.65 0.00 0.00 177.43 176.65 2paw h LEU 768 N 0.58 0.03 -0.81 1.61 3.38 -0.50 -1.77 115.31 117.82 2paw h LEU 768 Ca 0.10 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 2paw h LEU 768 Cb 0.64 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.34 2paw h LEU 768 CO 0.04 0.02 0.46 -0.07 0.09 0.00 0.00 178.44 178.99 2paw h LEU 769 N 0.03 1.00 -0.05 1.67 3.38 -1.08 -0.60 115.31 119.67 2paw h LEU 769 Ca 0.03 -0.08 -0.22 0.00 0.09 0.00 0.00 57.88 57.70 2paw h LEU 769 Cb 0.09 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 2paw h LEU 769 CO -0.00 0.79 -1.01 0.44 0.09 0.00 0.00 178.44 178.75 2paw h ASP 770 N 1.12 0.12 -0.42 -0.43 3.32 -1.40 -3.09 116.42 115.65 2paw h ASP 770 Ca 0.29 -0.12 -0.06 0.00 0.02 0.00 0.00 57.03 57.15 2paw h ASP 770 Cb 0.00 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.50 2paw h ASP 770 CO -0.05 1.05 0.01 0.40 -1.72 0.00 0.00 179.24 178.93 2paw h ILE 771 N 0.03 1.26 -0.74 0.35 2.04 -1.15 -2.04 117.51 117.26 2paw h ILE 771 Ca -0.04 -1.01 0.06 0.00 1.00 0.00 0.00 64.86 64.88 2paw h ILE 771 Cb 1.74 1.08 -0.06 0.00 -0.74 0.00 0.00 36.82 38.84 2paw h ILE 771 CO 0.14 0.34 0.43 -0.08 0.00 0.00 0.00 178.15 178.98 2paw h GLU 772 N 0.57 0.76 -0.34 2.37 4.22 -1.16 -1.00 114.58 119.99 2paw h GLU 772 Ca 0.12 -0.05 -0.02 0.00 0.08 0.00 0.00 59.36 59.49 2paw h GLU 772 Cb 0.47 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 2paw h GLU 772 CO 0.02 0.50 0.12 0.28 -2.18 0.00 0.00 179.01 177.75 2paw h VAL 773 N 0.78 1.20 -0.15 0.32 2.07 -1.42 -1.77 116.25 117.29 2paw h VAL 773 Ca 0.33 -0.62 0.02 0.00 0.82 0.00 0.00 66.70 67.25 2paw h VAL 773 Cb 0.20 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 2paw h VAL 773 CO -0.19 0.22 0.02 0.00 0.02 0.00 0.00 177.57 177.64 2paw h ALA 774 N 0.96 0.14 -0.41 1.67 0.00 -0.63 -1.33 119.26 119.67 2paw h ALA 774 Ca 0.11 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 2paw h ALA 774 Cb 0.22 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2paw h ALA 774 CO -0.01 -0.43 0.14 -0.92 0.00 0.00 0.00 179.25 178.04 2paw h TYR 775 N 0.08 0.64 -0.24 0.00 3.20 -1.18 -0.65 116.97 118.82 2paw h TYR 775 Ca 0.07 -0.06 -0.02 0.00 3.14 0.00 0.00 58.73 61.86 2paw h TYR 775 Cb 0.06 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.13 2paw h TYR 775 CO -0.13 0.58 0.08 0.77 -1.64 0.00 0.00 178.16 177.82 2paw h SER 776 N 0.51 0.30 -0.14 -2.11 0.02 -1.13 -0.93 113.55 110.08 2paw h SER 776 Ca 0.13 -0.03 -0.19 0.00 -0.84 0.00 0.00 61.79 60.86 2paw h SER 776 Cb 0.23 -0.08 0.01 0.00 0.14 0.00 0.00 62.40 62.70 2paw h SER 776 CO -0.01 0.30 -0.67 -0.07 -1.14 0.00 0.00 176.83 175.24 2paw h LEU 777 N 0.34 0.83 -1.56 5.07 3.38 -0.81 -2.59 115.31 119.97 2paw h LEU 777 Ca 0.09 -0.63 -0.03 0.00 0.09 0.00 0.00 57.88 57.40 2paw h LEU 777 Cb 0.10 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 2paw h LEU 777 CO -0.01 1.33 -0.02 0.25 0.09 0.00 0.00 178.44 180.07 2paw h LEU 778 N 0.39 0.22 -0.64 1.67 5.85 -0.24 -2.51 115.31 120.05 2paw h LEU 778 Ca -0.04 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.65 2paw h LEU 778 Cb 1.30 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.28 2paw h LEU 778 CO 0.14 0.29 -0.45 -2.11 -0.34 0.00 0.00 178.44 175.97 2paw n ARG 779 N -4.37 0.87 0.00 1.25 1.85 -0.44 -4.92 116.66 110.90 2paw n ARG 779 Ca -0.00 -0.64 0.00 0.00 -1.00 0.00 0.00 57.85 56.21 2paw n ARG 779 Cb 0.19 -1.49 0.00 0.00 -1.05 0.00 0.00 32.46 30.11 2paw n ARG 779 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2paw n GLY 780 N 1.40 -1.50 3.30 2.89 0.00 -0.95 -4.81 105.19 105.53 2paw n GLY 780 Ca 0.10 -1.52 -0.09 0.00 0.00 0.00 0.00 46.02 44.51 2paw n GLY 780 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2paw n GLY 781 N 3.70 -0.23 0.40 -0.02 0.00 -1.26 -4.69 105.19 103.09 2paw n GLY 781 Ca 0.00 0.05 0.05 0.00 0.00 0.00 0.00 46.02 46.12 2paw n GLY 781 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2paw n ASN 782 N 10.28 2.69 0.19 1.61 4.13 -1.26 -4.77 115.26 128.13 2paw n ASN 782 Ca 0.28 -2.25 0.04 0.00 1.68 0.00 0.00 54.58 54.32 2paw n ASN 782 Cb 0.42 -0.22 0.43 0.00 -1.54 0.00 0.00 39.78 38.87 2paw n ASN 782 CO 0.00 0.00 0.00 1.05 0.28 0.00 0.00 177.26 178.59 2paw h GLU 783 N 1.11 0.06 -6.63 3.52 9.09 -1.99 -3.46 114.58 116.28 2paw h GLU 783 Ca 0.00 -0.02 -0.58 0.00 0.05 0.00 0.00 59.36 58.81 2paw h GLU 783 Cb 0.78 -0.01 0.12 0.00 -1.65 0.00 0.00 28.75 27.99 2paw h GLU 783 CO 0.03 0.29 0.28 -3.47 0.05 0.00 0.00 179.01 176.19 2paw n ASP 784 N -4.25 1.84 -0.01 3.06 -0.08 -1.26 -4.94 116.55 110.91 2paw n ASP 784 Ca -0.02 1.15 0.07 0.00 -1.51 0.00 0.00 54.79 54.47 2paw n ASP 784 Cb 0.30 -1.38 -0.11 0.00 2.34 0.00 0.00 41.12 42.27 2paw n ASP 784 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2paw n GLY 785 N 1.04 -0.63 0.17 0.27 0.00 -1.26 -4.44 105.19 100.34 2paw n GLY 785 Ca 0.08 -0.33 0.14 0.00 0.00 0.00 0.00 46.02 45.91 2paw n GLY 785 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2paw h ASP 786 N 0.00 0.00 -3.54 1.61 5.19 -2.01 -3.44 116.42 114.23 2paw h ASP 786 Ca -0.01 0.00 -0.66 0.00 -0.62 0.00 0.00 57.03 55.73 2paw h ASP 786 Cb 0.67 0.00 -0.15 0.00 0.18 0.00 0.00 39.33 40.03 2paw h ASP 786 CO 0.00 0.00 -0.72 -0.54 -3.12 0.00 0.00 179.24 174.86 2paw s LYS 787 N -3.36 2.30 0.43 3.56 1.02 -1.26 -4.94 119.74 117.48 2paw s LYS 787 Ca 0.05 -0.92 -0.22 0.00 0.02 0.00 0.00 55.97 54.90 2paw s LYS 787 Cb 0.09 -2.39 -0.10 0.00 -0.52 0.00 0.00 37.83 34.92 2paw s LYS 787 CO 0.49 0.53 0.99 0.34 -0.92 0.00 0.00 175.35 176.79 2paw s ASP 788 N -2.05 6.75 0.27 2.83 2.15 -1.26 -4.90 116.67 120.47 2paw s ASP 788 Ca 0.21 1.83 -0.00 0.00 0.43 0.00 0.00 52.55 55.02 2paw s ASP 788 Cb -0.11 -2.56 0.52 0.00 -0.30 0.00 0.00 42.92 40.48 2paw s ASP 788 CO 0.13 -0.49 1.82 -0.65 -0.17 0.00 0.00 175.17 175.81 2paw h PRO 789 N 2.00 0.86 -0.49 4.34 0.11 -1.95 -1.58 132.00 135.29 2paw h PRO 789 Ca -0.49 -0.05 0.06 0.00 0.11 0.00 0.00 66.00 65.63 2paw h PRO 789 Cb 1.20 -0.19 -0.05 0.00 0.11 0.00 0.00 31.00 32.06 2paw h PRO 789 CO 0.61 0.57 0.19 0.82 -0.21 0.00 0.00 178.00 179.98 2paw h ILE 790 N 0.89 0.86 -0.40 4.15 1.08 -1.98 -2.00 117.51 120.10 2paw h ILE 790 Ca 0.47 -0.13 -0.10 0.00 -0.39 0.00 0.00 64.86 64.72 2paw h ILE 790 Cb 0.50 0.45 -0.02 0.00 -3.07 0.00 0.00 36.82 34.68 2paw h ILE 790 CO -0.28 0.07 -0.14 0.44 -0.69 0.00 0.00 178.15 177.54 2paw h ASP 791 N 0.38 0.73 -0.37 1.72 5.19 -1.73 -1.69 116.42 120.64 2paw h ASP 791 Ca 0.23 -0.23 -0.07 0.00 -0.62 0.00 0.00 57.03 56.35 2paw h ASP 791 Cb 0.23 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 39.53 2paw h ASP 791 CO -0.22 0.88 -0.03 0.40 -3.12 0.00 0.00 179.24 177.15 2paw h ILE 792 N 0.66 1.27 -0.32 0.35 2.04 -0.98 -2.48 117.51 118.06 2paw h ILE 792 Ca 0.11 -1.04 -0.10 0.00 1.00 0.00 0.00 64.86 64.83 2paw h ILE 792 Cb 0.62 1.21 -0.01 0.00 -0.74 0.00 0.00 36.82 37.89 2paw h ILE 792 CO 0.04 0.35 -0.21 0.78 0.00 0.00 0.00 178.15 179.11 2paw h ASN 793 N 0.47 0.60 0.36 1.72 2.35 -1.25 -2.37 115.58 117.46 2paw h ASN 793 Ca 0.10 -0.20 -0.01 0.00 -0.55 0.00 0.00 56.30 55.65 2paw h ASN 793 Cb 0.51 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.70 2paw h ASN 793 CO 0.02 0.81 -0.31 0.22 -1.65 0.00 0.00 177.43 176.52 2paw h TYR 794 N 0.53 -0.83 -0.63 1.19 3.20 -1.25 -1.73 116.97 117.46 2paw h TYR 794 Ca 0.08 0.00 0.16 0.00 3.14 0.00 0.00 58.73 62.11 2paw h TYR 794 Cb 0.65 0.31 -0.03 0.00 1.54 0.00 0.00 36.73 39.21 2paw h TYR 794 CO 0.03 -0.45 0.44 0.93 -1.64 0.00 0.00 178.16 177.46 2paw h GLU 795 N -0.68 0.14 0.00 1.82 5.08 -1.29 0.25 114.58 119.89 2paw h GLU 795 Ca -0.03 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 2paw h GLU 795 Cb 0.60 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.82 2paw h GLU 795 CO -0.03 0.09 -0.15 0.87 -1.00 0.00 0.00 179.01 178.79 2paw h LYS 796 N 0.14 0.00 0.00 2.33 1.57 -0.78 -1.99 116.57 117.84 2paw h LYS 796 Ca 0.30 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 2paw h LYS 796 Cb 0.99 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.30 2paw h LYS 796 CO -0.04 0.15 0.00 -0.07 -0.57 0.00 0.00 179.45 178.92 2paw h LEU 797 N 0.00 0.00 -1.48 2.94 3.38 -0.33 -3.47 115.31 116.34 2paw h LEU 797 Ca -0.00 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.47 2paw h LEU 797 Cb 0.36 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.03 2paw h LEU 797 CO 0.02 0.00 -0.84 0.54 0.09 0.00 0.00 178.44 178.25 2paw n ARG 798 N -3.08 -3.95 -3.72 1.13 1.74 -0.75 -4.13 116.66 103.90 2paw n ARG 798 Ca 0.02 0.46 -0.17 0.00 -0.77 0.00 0.00 57.85 57.39 2paw n ARG 798 Cb 0.36 -4.97 -0.16 0.00 -1.02 0.00 0.00 32.46 26.67 2paw n ARG 798 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2paw s THR 799 N -3.61 -0.10 -0.13 0.55 2.01 -1.26 -1.60 115.64 111.51 2paw s THR 799 Ca 0.34 0.30 -0.29 0.00 0.31 0.00 0.00 61.69 62.34 2paw s THR 799 Cb -0.18 -0.15 -0.01 0.00 0.01 0.00 0.00 72.50 72.17 2paw s THR 799 CO 0.88 0.12 1.05 -0.62 -0.69 0.00 0.00 174.62 175.36 2paw s ASP 800 N 1.59 7.18 -0.10 3.53 2.15 -0.44 -4.88 116.67 125.70 2paw s ASP 800 Ca -0.03 1.54 0.04 0.00 0.43 0.00 0.00 52.55 54.52 2paw s ASP 800 Cb -0.12 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 39.95 2paw s ASP 800 CO -0.04 -0.52 -0.23 -0.63 -0.17 0.00 0.00 175.17 173.58 2paw s ILE 801 N 2.34 1.98 0.09 4.11 1.01 -1.26 -1.43 121.20 128.04 2paw s ILE 801 Ca 0.48 -0.97 0.05 0.00 0.00 0.00 0.00 60.65 60.22 2paw s ILE 801 Cb -0.18 -1.72 -0.03 0.00 0.01 0.00 0.00 42.46 40.54 2paw s ILE 801 CO 0.16 0.54 -0.13 -0.54 0.00 0.00 0.00 174.94 174.97 2paw s LYS 802 N 0.41 0.87 -0.19 2.79 1.02 -0.20 -4.97 119.74 119.47 2paw s LYS 802 Ca -0.18 -1.06 -0.18 0.00 0.02 0.00 0.00 55.97 54.57 2paw s LYS 802 Cb -0.18 -0.78 -0.03 0.00 -0.52 0.00 0.00 37.83 36.32 2paw s LYS 802 CO 0.08 0.16 0.50 0.08 -0.92 0.00 0.00 175.35 175.24 2paw s VAL 803 N -1.73 5.12 -0.12 3.17 1.01 -1.26 0.04 120.40 126.63 2paw s VAL 803 Ca 0.02 0.93 -0.27 0.00 0.00 0.00 0.00 61.98 62.66 2paw s VAL 803 Cb -0.07 -3.83 -0.02 0.00 0.00 0.00 0.00 36.38 32.46 2paw s VAL 803 CO 0.02 0.20 0.91 -0.69 0.00 0.00 0.00 175.10 175.54 2paw s VAL 804 N 1.50 4.85 0.20 2.92 1.01 -0.48 -4.90 120.40 125.50 2paw s VAL 804 Ca 0.24 1.83 -0.33 0.00 0.00 0.00 0.00 61.98 63.72 2paw s VAL 804 Cb -0.15 -4.22 -0.13 0.00 0.00 0.00 0.00 36.38 31.87 2paw s VAL 804 CO 0.10 0.05 1.58 -0.67 0.00 0.00 0.00 175.10 176.15 2paw n ASP 805 N 4.91 3.31 0.28 3.32 -0.08 -1.26 -4.72 116.55 122.31 2paw n ASP 805 Ca 0.06 1.09 0.15 0.00 -1.51 0.00 0.00 54.79 54.58 2paw n ASP 805 Cb 0.49 -1.47 0.80 0.00 2.34 0.00 0.00 41.12 43.28 2paw n ASP 805 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 2paw h LYS 806 N 5.71 0.00 -0.01 -0.67 1.79 -1.97 -2.83 116.57 118.58 2paw h LYS 806 Ca -0.45 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.02 2paw h LYS 806 Cb 1.24 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.89 2paw h LYS 806 CO 0.87 0.08 -0.33 -0.25 -1.08 0.00 0.00 179.45 178.74 2paw n ASP 807 N -3.56 1.41 -4.48 0.86 8.00 -1.26 -4.57 116.55 112.94 2paw n ASP 807 Ca -0.02 -1.13 -0.29 0.00 0.71 0.00 0.00 54.79 54.05 2paw n ASP 807 Cb 0.20 0.26 0.15 0.00 -0.02 0.00 0.00 41.12 41.72 2paw n ASP 807 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2paw s SER 808 N -2.48 3.26 0.15 -2.24 1.04 -1.07 -4.91 113.70 107.44 2paw s SER 808 Ca 0.22 0.67 -0.05 0.00 0.48 0.00 0.00 55.95 57.27 2paw s SER 808 Cb 0.19 -1.02 -0.04 0.00 0.10 0.00 0.00 66.02 65.25 2paw s SER 808 CO 0.54 -2.68 1.36 -0.33 0.98 0.00 0.00 173.24 173.12 2paw h GLU 809 N -1.59 0.50 -0.30 4.02 4.39 -1.93 -2.47 114.58 117.20 2paw h GLU 809 Ca -0.47 -0.44 0.05 0.00 0.34 0.00 0.00 59.36 58.84 2paw h GLU 809 Cb 1.30 0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 30.01 2paw h GLU 809 CO 0.52 1.08 0.02 0.93 -1.16 0.00 0.00 179.01 180.39 2paw h GLU 810 N 0.32 0.10 -0.10 2.33 5.08 -1.94 0.31 114.58 120.69 2paw h GLU 810 Ca -0.05 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2paw h GLU 810 Cb 1.41 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.63 2paw h GLU 810 CO 0.15 0.07 0.05 0.00 -1.00 0.00 0.00 179.01 178.28 2paw h ALA 811 N 1.25 0.12 -0.14 3.43 0.00 -1.77 0.47 119.26 122.62 2paw h ALA 811 Ca 0.14 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.03 2paw h ALA 811 Cb 0.18 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 2paw h ALA 811 CO -0.22 -0.34 -0.06 0.87 0.00 0.00 0.00 179.25 179.50 2paw h LYS 812 N 0.06 -0.04 -0.82 0.00 1.57 -1.13 0.35 116.57 116.56 2paw h LYS 812 Ca 0.03 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.82 2paw h LYS 812 Cb 0.07 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.35 2paw h LYS 812 CO -0.01 -0.02 0.53 0.82 -0.57 0.00 0.00 179.45 180.20 2paw h ILE 813 N -0.04 1.22 -0.40 1.86 2.04 -0.77 0.12 117.51 121.54 2paw h ILE 813 Ca 0.08 -0.41 -0.12 0.00 1.00 0.00 0.00 64.86 65.41 2paw h ILE 813 Cb 0.15 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.24 2paw h ILE 813 CO -0.17 0.21 -0.21 0.40 0.00 0.00 0.00 178.15 178.39 2paw h ILE 814 N 1.12 1.28 -0.13 -0.67 2.04 -0.34 -2.25 117.51 118.56 2paw h ILE 814 Ca 0.30 -1.35 -0.08 0.00 1.00 0.00 0.00 64.86 64.73 2paw h ILE 814 Cb -0.11 1.29 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 2paw h ILE 814 CO -0.06 0.45 -0.29 0.11 0.00 0.00 0.00 178.15 178.36 2paw h LYS 815 N 0.66 0.25 -0.45 2.37 1.57 0.12 -1.65 116.57 119.45 2paw h LYS 815 Ca 0.09 -0.09 -0.12 0.00 -1.87 0.00 0.00 60.65 58.66 2paw h LYS 815 Cb 0.77 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.05 2paw h LYS 815 CO 0.06 0.53 -0.18 0.37 -0.57 0.00 0.00 179.45 179.66 2paw h GLN 816 N 0.23 0.91 -0.96 3.15 5.75 -0.86 -2.17 115.11 121.15 2paw h GLN 816 Ca 0.03 -0.38 0.00 0.00 -0.15 0.00 0.00 58.65 58.15 2paw h GLN 816 Cb 0.64 -0.03 -0.05 0.00 1.07 0.00 0.00 27.48 29.10 2paw h GLN 816 CO 0.05 1.04 0.62 -0.92 -2.65 0.00 0.00 178.83 176.96 2paw h TYR 817 N 0.75 1.23 0.11 3.99 3.20 -0.79 -1.06 116.97 124.40 2paw h TYR 817 Ca 0.10 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.98 2paw h TYR 817 Cb 0.75 -0.41 0.00 0.00 1.54 0.00 0.00 36.73 38.61 2paw h TYR 817 CO 0.05 0.79 -0.05 0.28 -1.64 0.00 0.00 178.16 177.59 2paw h VAL 818 N 1.31 1.09 -0.38 1.81 2.07 -1.18 -2.91 116.25 118.06 2paw h VAL 818 Ca 0.35 -0.92 0.04 0.00 0.82 0.00 0.00 66.70 66.99 2paw h VAL 818 Cb -0.12 1.65 -0.04 0.00 -1.52 0.00 0.00 31.29 31.27 2paw h VAL 818 CO -0.07 0.22 0.15 0.50 0.02 0.00 0.00 177.57 178.38 2paw h LYS 819 N -0.59 0.31 0.02 1.57 3.64 -1.21 -3.09 116.57 117.21 2paw h LYS 819 Ca -0.02 -0.02 -0.21 0.00 -1.27 0.00 0.00 60.65 59.14 2paw h LYS 819 Cb 0.47 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 2paw h LYS 819 CO 0.03 0.20 -0.93 -0.91 -2.27 0.00 0.00 179.45 175.57 2paw h ASN 820 N 0.32 0.27 -0.33 4.20 2.35 -1.32 -3.27 115.58 117.81 2paw h ASN 820 Ca 0.17 -0.23 0.00 0.00 -0.55 0.00 0.00 56.30 55.69 2paw h ASN 820 Cb 0.13 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.41 2paw h ASN 820 CO -0.16 1.06 0.00 0.35 -1.65 0.00 0.00 177.43 177.03 2paw n THR 821 N -3.63 0.68 -3.04 2.81 -2.24 -1.10 -3.33 114.28 104.43 2paw n THR 821 Ca -0.04 -0.52 -0.45 0.00 -2.27 0.00 0.00 64.05 60.78 2paw n THR 821 Cb 0.84 0.08 -0.03 0.00 -2.10 0.00 0.00 70.33 69.12 2paw n THR 821 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 2paw s HIS 822 N -1.61 3.22 0.95 4.78 5.04 -1.17 -2.56 115.29 123.93 2paw s HIS 822 Ca 0.24 -1.41 -0.11 0.00 -1.54 0.00 0.00 55.06 52.24 2paw s HIS 822 Cb 0.14 -4.13 0.17 0.00 0.04 0.00 0.00 32.58 28.80 2paw s HIS 822 CO 0.14 -1.35 0.37 0.00 -2.34 0.00 0.00 174.74 171.56 2paw n ALA 823 N 5.99 0.32 0.05 1.58 0.00 -1.26 -4.94 120.51 122.25 2paw n ALA 823 Ca 0.14 -0.89 -0.16 0.00 0.00 0.00 0.00 53.44 52.53 2paw n ALA 823 Cb 0.47 -0.72 -0.14 0.00 0.00 0.00 0.00 19.45 19.06 2paw n ALA 823 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2paw h ALA 824 N -2.73 0.36 0.00 0.00 0.00 -1.96 -3.33 119.26 111.59 2paw h ALA 824 Ca -0.18 -1.18 0.00 0.00 0.00 0.00 0.00 54.91 53.55 2paw h ALA 824 Cb 0.61 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.73 2paw h ALA 824 CO 0.11 1.22 0.00 0.25 0.00 0.00 0.00 179.25 180.83 2paw n THR 825 N -3.40 0.09 -0.74 0.00 -2.24 -1.26 -2.98 114.28 103.75 2paw n THR 825 Ca -0.17 0.02 0.08 0.00 -2.27 0.00 0.00 64.05 61.71 2paw n THR 825 Cb 1.04 -0.55 0.30 0.00 -2.10 0.00 0.00 70.33 69.02 2paw n THR 825 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2paw n HIS 826 N -1.43 1.24 0.98 4.78 -0.00 -1.25 -4.53 115.22 115.01 2paw n HIS 826 Ca 0.09 -0.71 0.00 0.00 -0.00 0.00 0.00 57.72 57.10 2paw n HIS 826 Cb 0.29 -0.28 0.00 0.00 -0.00 0.00 0.00 29.99 30.00 2paw n HIS 826 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 2paw n ASN 827 N 0.34 2.47 -0.19 0.41 3.02 -1.16 -3.18 115.26 116.96 2paw n ASN 827 Ca 0.22 -1.97 0.15 0.00 -0.03 0.00 0.00 54.58 52.95 2paw n ASN 827 Cb 0.87 -0.49 0.68 0.00 -0.61 0.00 0.00 39.78 40.23 2paw n ASN 827 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2paw n ALA 828 N 0.38 2.69 -3.50 5.41 0.00 -1.26 -4.86 120.51 119.37 2paw n ALA 828 Ca 0.00 -0.30 -0.10 0.00 0.00 0.00 0.00 53.44 53.04 2paw n ALA 828 Cb 0.43 -1.33 -0.03 0.00 0.00 0.00 0.00 19.45 18.52 2paw n ALA 828 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 2paw s TYR 829 N -2.20 -0.41 0.35 0.00 -0.85 -1.19 -4.62 117.35 108.43 2paw s TYR 829 Ca 0.37 0.37 0.07 0.00 -0.52 0.00 0.00 57.07 57.36 2paw s TYR 829 Cb 0.21 0.52 -0.02 0.00 0.38 0.00 0.00 41.96 43.04 2paw s TYR 829 CO 0.41 -0.57 0.34 -0.51 -1.52 0.00 0.00 175.55 173.69 2paw s ASP 830 N -2.21 5.35 -0.04 -0.18 1.01 0.33 -4.92 116.67 116.01 2paw s ASP 830 Ca 0.02 -0.49 0.02 0.00 0.71 0.00 0.00 52.55 52.81 2paw s ASP 830 Cb -0.01 -0.93 0.01 0.00 1.01 0.00 0.00 42.92 43.00 2paw s ASP 830 CO -0.06 -0.42 -0.09 -0.22 0.21 0.00 0.00 175.17 174.58 2paw s LEU 831 N -4.05 1.62 -0.08 1.23 2.96 -1.26 -1.54 118.68 117.56 2paw s LEU 831 Ca 0.43 -0.21 0.04 0.00 -0.22 0.00 0.00 54.13 54.17 2paw s LEU 831 Cb -0.06 -0.62 0.00 0.00 0.50 0.00 0.00 46.19 46.01 2paw s LEU 831 CO 0.28 0.03 -0.20 -0.75 -1.32 0.00 0.00 176.35 174.38 2paw s LYS 832 N 0.53 2.47 -0.55 1.98 2.20 -0.32 -4.97 119.74 121.08 2paw s LYS 832 Ca -0.09 -0.70 -0.24 0.00 -0.36 0.00 0.00 55.97 54.57 2paw s LYS 832 Cb -0.13 -1.93 0.04 0.00 -1.51 0.00 0.00 37.83 34.30 2paw s LYS 832 CO 0.01 0.15 0.94 0.08 -0.36 0.00 0.00 175.35 176.17 2paw s VAL 833 N 0.39 4.40 0.01 4.02 1.01 -1.26 -0.70 120.40 128.27 2paw s VAL 833 Ca -0.15 0.26 -0.18 0.00 0.00 0.00 0.00 61.98 61.91 2paw s VAL 833 Cb -0.16 -4.54 -0.29 0.00 0.00 0.00 0.00 36.38 31.39 2paw s VAL 833 CO 0.06 -1.11 1.04 0.58 0.00 0.00 0.00 175.10 175.67 2paw h VAL 834 N 6.02 1.38 -2.10 2.92 2.07 -1.63 -3.48 116.25 121.43 2paw h VAL 834 Ca -0.26 -2.40 -0.06 0.00 0.82 0.00 0.00 66.70 64.79 2paw h VAL 834 Cb 1.07 2.84 -0.20 0.00 -1.52 0.00 0.00 31.29 33.49 2paw h VAL 834 CO 1.09 0.71 0.13 -0.70 0.02 0.00 0.00 177.57 178.82 2paw s GLU 835 N -2.86 0.97 -0.09 1.57 2.56 -1.16 -4.99 118.70 114.72 2paw s GLU 835 Ca -0.11 0.36 0.02 0.00 0.00 0.00 0.00 54.97 55.24 2paw s GLU 835 Cb 0.04 0.46 0.01 0.00 2.00 0.00 0.00 34.13 36.64 2paw s GLU 835 CO 0.88 -0.27 -0.15 0.42 -0.56 0.00 0.00 175.26 175.58 2paw s ILE 836 N -0.89 1.40 0.07 -3.70 1.01 -1.26 0.17 121.20 118.01 2paw s ILE 836 Ca -0.09 -0.62 0.09 0.00 0.00 0.00 0.00 60.65 60.03 2paw s ILE 836 Cb -0.01 -1.27 -0.03 0.00 0.01 0.00 0.00 42.46 41.15 2paw s ILE 836 CO 0.08 0.42 -0.21 -0.36 0.00 0.00 0.00 174.94 174.86 2paw s PHE 837 N 0.74 2.46 -0.26 3.97 0.40 0.20 -1.38 117.98 124.11 2paw s PHE 837 Ca -0.12 -0.31 -0.12 0.00 -0.60 0.00 0.00 56.93 55.77 2paw s PHE 837 Cb -0.16 -1.39 -0.05 0.00 0.51 0.00 0.00 43.02 41.94 2paw s PHE 837 CO 0.03 0.26 0.25 0.50 0.70 0.00 0.00 175.22 176.96 2paw s ARG 838 N -1.63 4.01 0.16 0.44 6.06 0.11 0.10 118.95 128.20 2paw s ARG 838 Ca 0.14 -0.17 0.10 0.00 -2.50 0.00 0.00 55.73 53.30 2paw s ARG 838 Cb -0.10 -3.62 -0.04 0.00 0.06 0.00 0.00 34.95 31.24 2paw s ARG 838 CO 0.06 -0.14 -0.18 0.96 -2.50 0.00 0.00 175.30 173.50 2paw s ILE 839 N 1.64 2.78 -0.29 4.11 -4.36 -0.05 -1.03 121.20 123.99 2paw s ILE 839 Ca 0.10 -1.70 0.00 0.00 -0.26 0.00 0.00 60.65 58.79 2paw s ILE 839 Cb -0.15 -2.32 0.14 0.00 1.25 0.00 0.00 42.46 41.38 2paw s ILE 839 CO 0.09 -0.02 0.33 -0.70 0.24 0.00 0.00 174.94 174.88 2paw s GLU 840 N -2.48 0.36 0.22 0.37 2.12 -0.52 -4.44 118.70 114.33 2paw s GLU 840 Ca 0.20 -0.06 -0.30 0.00 0.36 0.00 0.00 54.97 55.17 2paw s GLU 840 Cb -0.09 -0.54 -0.09 0.00 0.26 0.00 0.00 34.13 33.67 2paw s GLU 840 CO 0.11 -1.04 1.21 1.03 -0.54 0.00 0.00 175.26 176.03 2paw s ARG 841 N 2.41 4.49 0.01 4.30 0.52 -1.26 -1.33 118.95 128.09 2paw s ARG 841 Ca 0.10 1.92 -0.37 0.00 -0.52 0.00 0.00 55.73 56.85 2paw s ARG 841 Cb -0.13 -3.21 -0.16 0.00 0.52 0.00 0.00 34.95 31.96 2paw s ARG 841 CO -0.32 -0.07 1.44 -1.91 0.02 0.00 0.00 175.30 174.46 2paw n GLU 842 N 2.15 1.20 -0.84 3.54 2.13 -0.63 -1.37 120.64 126.83 2paw n GLU 842 Ca 0.03 0.44 0.00 0.00 0.66 0.00 0.00 57.16 58.29 2paw n GLU 842 Cb 0.44 -2.10 0.00 0.00 0.27 0.00 0.00 31.44 30.06 2paw n GLU 842 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2paw n GLY 843 N 2.93 0.08 0.21 8.31 0.00 -1.26 -4.84 105.19 110.62 2paw n GLY 843 Ca 0.20 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.08 2paw n GLY 843 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2paw h GLU 844 N 0.21 0.64 -0.24 1.61 4.81 -1.61 -2.89 114.58 117.11 2paw h GLU 844 Ca 0.00 -0.52 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 2paw h GLU 844 Cb 0.56 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.04 2paw h GLU 844 CO 0.00 1.14 0.16 0.77 -0.73 0.00 0.00 179.01 180.35 2paw h SER 845 N 0.44 0.27 -0.13 1.04 0.02 -1.89 -2.09 113.55 111.21 2paw h SER 845 Ca -0.04 -0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 60.82 2paw h SER 845 Cb 1.36 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.84 2paw h SER 845 CO 0.15 0.20 -0.24 -0.61 -1.14 0.00 0.00 176.83 175.18 2paw h GLN 846 N 0.32 0.40 0.00 3.45 5.75 -1.90 -2.59 115.11 120.54 2paw h GLN 846 Ca 0.09 -0.25 -0.01 0.00 -0.15 0.00 0.00 58.65 58.33 2paw h GLN 846 Cb -0.04 0.03 -0.00 0.00 1.07 0.00 0.00 27.48 28.54 2paw h GLN 846 CO -0.02 0.85 -0.03 0.07 -2.65 0.00 0.00 178.83 177.04 2paw h ARG 847 N -0.00 0.00 0.00 1.69 0.11 -1.30 -2.99 114.38 111.89 2paw h ARG 847 Ca 0.01 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 60.04 2paw h ARG 847 Cb 0.82 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.90 2paw h ARG 847 CO 0.05 0.03 -0.58 -0.92 0.10 0.00 0.00 179.97 178.65 2paw h TYR 848 N 0.00 0.00 -0.95 4.08 3.20 -1.39 -3.40 116.97 118.51 2paw h TYR 848 Ca -0.00 0.00 0.24 0.00 3.14 0.00 0.00 58.73 62.11 2paw h TYR 848 Cb 0.71 0.00 -0.17 0.00 1.54 0.00 0.00 36.73 38.81 2paw h TYR 848 CO 0.00 0.20 -0.00 0.87 -1.64 0.00 0.00 178.16 177.59 2paw h LYS 849 N 0.00 0.03 -0.26 1.82 1.57 -1.30 0.10 116.57 118.52 2paw h LYS 849 Ca -0.02 -0.00 0.08 0.00 -1.87 0.00 0.00 60.65 58.83 2paw h LYS 849 Cb 1.18 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.47 2paw h LYS 849 CO 0.02 0.02 0.21 -1.35 -0.57 0.00 0.00 179.45 177.78 2paw h PRO 850 N 0.03 0.00 -0.00 3.15 0.11 -1.81 -2.01 132.00 131.47 2paw h PRO 850 Ca 0.55 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.66 2paw h PRO 850 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2paw h PRO 850 CO -0.88 0.00 -0.05 1.19 -0.21 0.00 0.00 178.00 178.05 2paw n PHE 851 N -4.23 0.00 0.59 0.65 3.72 0.35 -2.88 117.46 115.66 2paw n PHE 851 Ca 0.03 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.55 2paw n PHE 851 Cb 0.36 -0.14 0.45 0.00 -0.94 0.00 0.00 39.48 39.22 2paw n PHE 851 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 2paw n LYS 852 N -0.93 0.12 0.23 -1.08 5.02 -0.75 -1.95 118.16 118.82 2paw n LYS 852 Ca 0.17 0.25 0.12 0.00 -2.02 0.00 0.00 58.31 56.83 2paw n LYS 852 Cb 0.23 -1.69 0.31 0.00 -0.02 0.00 0.00 35.03 33.86 2paw n LYS 852 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 2paw h GLN 853 N 0.00 0.00 -7.25 1.97 1.08 -1.71 -3.45 115.11 105.75 2paw h GLN 853 Ca 0.00 0.00 -0.49 0.00 -1.45 0.00 0.00 58.65 56.71 2paw h GLN 853 Cb 0.45 0.00 0.04 0.00 -0.05 0.00 0.00 27.48 27.92 2paw h GLN 853 CO 0.00 0.07 0.39 -0.51 -0.95 0.00 0.00 178.83 177.83 2paw s LEU 854 N -6.27 3.47 0.44 1.46 1.43 -0.82 -5.08 118.68 113.31 2paw s LEU 854 Ca 0.05 1.57 0.08 0.00 -1.03 0.00 0.00 54.13 54.80 2paw s LEU 854 Cb 0.07 -4.50 0.02 0.00 0.03 0.00 0.00 46.19 41.80 2paw s LEU 854 CO 0.64 -0.80 0.60 -1.38 0.23 0.00 0.00 176.35 175.64 2paw s HIS 855 N -2.77 2.65 -1.04 0.29 -3.43 -1.26 -4.61 115.29 105.11 2paw s HIS 855 Ca 0.58 -0.43 -0.00 0.00 -0.80 0.00 0.00 55.06 54.42 2paw s HIS 855 Cb -0.11 -2.37 -0.00 0.00 -1.43 0.00 0.00 32.58 28.66 2paw s HIS 855 CO 0.40 -0.52 0.87 -1.71 -2.00 0.00 0.00 174.74 171.78 2paw n ASN 856 N -1.91 -2.21 -4.63 7.38 5.15 -1.26 -0.72 115.26 117.05 2paw n ASN 856 Ca 0.09 -0.55 -0.39 0.00 -0.60 0.00 0.00 54.58 53.13 2paw n ASN 856 Cb 0.59 -4.56 -0.08 0.00 -0.53 0.00 0.00 39.78 35.21 2paw n ASN 856 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 2paw s ARG 857 N -5.15 4.09 0.19 1.20 0.52 -1.26 -1.24 118.95 117.30 2paw s ARG 857 Ca 0.02 0.18 0.09 0.00 -0.52 0.00 0.00 55.73 55.49 2paw s ARG 857 Cb -0.00 -3.61 -0.04 0.00 0.52 0.00 0.00 34.95 31.81 2paw s ARG 857 CO 0.64 -0.21 -0.18 -0.65 0.02 0.00 0.00 175.30 174.92 2paw s GLN 858 N 1.86 1.34 -0.54 3.54 -0.21 -0.65 -2.59 119.66 122.40 2paw s GLN 858 Ca 0.18 -1.50 -0.18 0.00 0.02 0.00 0.00 55.36 53.89 2paw s GLN 858 Cb -0.15 -1.35 0.09 0.00 1.00 0.00 0.00 33.01 32.60 2paw s GLN 858 CO 0.09 0.26 0.60 -1.17 -2.12 0.00 0.00 175.29 172.95 2paw s LEU 859 N -2.92 5.44 0.25 2.90 2.96 -0.29 -0.41 118.68 126.60 2paw s LEU 859 Ca 0.19 -1.33 0.10 0.00 -0.22 0.00 0.00 54.13 52.87 2paw s LEU 859 Cb -0.04 -2.31 -0.04 0.00 0.50 0.00 0.00 46.19 44.29 2paw s LEU 859 CO 0.08 -0.94 -0.06 -0.76 -1.32 0.00 0.00 176.35 173.35 2paw s LEU 860 N 2.33 3.03 0.15 -0.68 1.43 0.47 -4.63 118.68 120.76 2paw s LEU 860 Ca 0.10 -0.71 -0.19 0.00 -1.03 0.00 0.00 54.13 52.30 2paw s LEU 860 Cb -0.24 -1.58 -0.07 0.00 0.03 0.00 0.00 46.19 44.33 2paw s LEU 860 CO 0.07 0.03 0.64 0.26 0.23 0.00 0.00 176.35 177.59 2paw s TRP 861 N -2.22 3.74 -0.13 0.29 0.52 -0.41 0.22 118.94 120.94 2paw s TRP 861 Ca 0.30 1.32 -0.04 0.00 0.02 0.00 0.00 56.10 57.70 2paw s TRP 861 Cb -0.07 -2.55 0.05 0.00 -1.15 0.00 0.00 33.47 29.76 2paw s TRP 861 CO 0.18 0.47 0.08 -1.58 0.02 0.00 0.00 176.95 176.12 2paw s HIS 862 N -1.31 0.15 0.11 -1.98 2.46 0.13 -1.36 115.29 113.49 2paw s HIS 862 Ca 0.36 -0.13 0.01 0.00 0.47 0.00 0.00 55.06 55.77 2paw s HIS 862 Cb -0.18 -0.62 -0.04 0.00 -0.13 0.00 0.00 32.58 31.61 2paw s HIS 862 CO 0.21 -0.42 0.26 0.20 -2.47 0.00 0.00 174.74 172.52 2paw s GLY 863 N 2.15 1.93 0.17 1.59 0.00 -1.26 -0.53 107.32 111.37 2paw s GLY 863 Ca 0.03 -0.93 -0.24 0.00 0.00 0.00 0.00 44.72 43.58 2paw s GLY 863 CO -0.07 -0.92 0.74 -0.45 0.00 0.00 0.00 173.10 172.40 2paw s SER 864 N -2.91 -0.37 0.47 1.64 0.15 -1.25 -4.78 113.70 106.65 2paw s SER 864 Ca 0.35 -0.27 -0.23 0.00 0.70 0.00 0.00 55.95 56.51 2paw s SER 864 Cb -0.12 0.59 -0.07 0.00 -1.71 0.00 0.00 66.02 64.71 2paw s SER 864 CO 0.28 -1.03 1.19 -0.13 1.20 0.00 0.00 173.24 174.75 2paw s ARG 865 N -3.63 3.67 0.58 5.44 0.52 -1.24 -4.41 118.95 119.88 2paw s ARG 865 Ca 0.07 1.83 0.28 0.00 -0.52 0.00 0.00 55.73 57.39 2paw s ARG 865 Cb -0.03 -2.38 1.64 0.00 0.52 0.00 0.00 34.95 34.70 2paw s ARG 865 CO -0.03 -0.64 2.10 1.79 0.02 0.00 0.00 175.30 178.54 2paw h THR 866 N 1.80 0.50 0.00 0.02 1.35 -1.91 -1.00 112.91 113.68 2paw h THR 866 Ca -0.50 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.36 2paw h THR 866 Cb 1.25 0.84 0.00 0.00 -1.73 0.00 0.00 68.15 68.52 2paw h THR 866 CO 0.60 0.00 0.00 0.35 -0.25 0.00 0.00 175.52 176.22 2paw n THR 867 N -3.86 0.41 0.60 6.82 -2.24 -1.26 -2.96 114.28 111.80 2paw n THR 867 Ca 0.02 0.10 0.11 0.00 -2.27 0.00 0.00 64.05 62.01 2paw n THR 867 Cb 0.32 -0.78 -0.08 0.00 -2.10 0.00 0.00 70.33 67.69 2paw n THR 867 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2paw n ASN 868 N -1.30 0.61 0.22 3.42 3.02 -0.38 -4.22 115.26 116.63 2paw n ASN 868 Ca 0.09 -0.48 0.06 0.00 -0.03 0.00 0.00 54.58 54.22 2paw n ASN 868 Cb 0.16 1.19 0.51 0.00 -0.61 0.00 0.00 39.78 41.04 2paw n ASN 868 CO 0.00 0.00 0.00 -0.26 -2.62 0.00 0.00 177.26 174.38 2paw h PHE 869 N 0.00 0.00 -0.30 3.10 -1.00 -1.66 0.48 116.94 117.57 2paw h PHE 869 Ca 0.00 0.00 -0.13 0.00 2.81 0.00 0.00 57.97 60.65 2paw h PHE 869 Cb 0.70 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.25 2paw h PHE 869 CO 0.00 0.20 -0.33 0.00 -1.61 0.00 0.00 178.31 176.56 2paw h ALA 870 N 1.80 0.86 -0.12 2.45 0.00 -1.82 0.39 119.26 122.83 2paw h ALA 870 Ca -0.00 -0.41 -0.14 0.00 0.00 0.00 0.00 54.91 54.36 2paw h ALA 870 Cb 0.36 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.04 2paw h ALA 870 CO 0.03 0.63 -0.46 0.78 0.00 0.00 0.00 179.25 180.23 2paw h GLY 871 N 1.00 0.57 0.82 0.00 0.00 -1.61 -0.79 103.07 103.06 2paw h GLY 871 Ca 0.06 -0.77 -0.00 0.00 0.00 0.00 0.00 47.33 46.62 2paw h GLY 871 CO 0.07 0.69 0.00 -2.22 0.00 0.00 0.00 176.54 175.08 2paw h ILE 872 N 0.12 1.15 -0.18 2.60 2.04 -0.79 0.24 117.51 122.69 2paw h ILE 872 Ca -0.02 -0.43 -0.06 0.00 1.00 0.00 0.00 64.86 65.34 2paw h ILE 872 Cb 1.09 1.44 -0.01 0.00 -0.74 0.00 0.00 36.82 38.59 2paw h ILE 872 CO 0.10 0.11 -0.17 -0.07 0.00 0.00 0.00 178.15 178.12 2paw h LEU 873 N -0.18 0.28 0.08 1.44 3.38 -0.27 1.00 115.31 121.04 2paw h LEU 873 Ca 0.00 -0.07 -0.32 0.00 0.09 0.00 0.00 57.88 57.58 2paw h LEU 873 Cb 0.18 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 2paw h LEU 873 CO -0.00 0.47 -1.73 0.77 0.09 0.00 0.00 178.44 178.04 2paw h SER 874 N 0.27 0.26 -0.00 -0.43 4.64 -0.97 -3.39 113.55 113.93 2paw h SER 874 Ca 0.05 -0.49 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 2paw h SER 874 Cb 0.46 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 2paw h SER 874 CO 0.03 1.43 -0.42 0.00 -0.87 0.00 0.00 176.83 177.00 2paw n GLN 875 N -3.33 2.67 -0.24 4.77 1.13 0.83 -4.99 117.38 118.22 2paw n GLN 875 Ca -0.21 -0.29 0.03 0.00 -1.94 0.00 0.00 57.00 54.59 2paw n GLN 875 Cb 1.05 -1.09 -0.01 0.00 0.11 0.00 0.00 30.24 30.30 2paw n GLN 875 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2paw n GLY 876 N 1.15 -1.86 3.77 1.08 0.00 0.34 -4.79 105.19 104.87 2paw n GLY 876 Ca 0.03 -1.45 -0.39 0.00 0.00 0.00 0.00 46.02 44.22 2paw n GLY 876 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2paw s LEU 877 N -4.66 4.26 0.23 0.99 1.43 -1.26 -4.55 118.68 115.13 2paw s LEU 877 Ca 0.00 2.48 -0.01 0.00 -1.03 0.00 0.00 54.13 55.57 2paw s LEU 877 Cb 0.00 -3.90 -0.03 0.00 0.03 0.00 0.00 46.19 42.28 2paw s LEU 877 CO 0.00 -0.67 0.21 0.00 0.23 0.00 0.00 176.35 176.12 2paw s ARG 878 N -2.15 1.36 0.10 1.70 1.70 -1.26 -4.94 118.95 115.47 2paw s ARG 878 Ca 0.55 -1.65 -0.11 0.00 -0.47 0.00 0.00 55.73 54.05 2paw s ARG 878 Cb -0.34 0.31 -0.06 0.00 -0.57 0.00 0.00 34.95 34.29 2paw s ARG 878 CO 0.44 -0.48 0.45 0.42 -1.08 0.00 0.00 175.30 175.05 2paw s ILE 879 N -3.98 5.02 0.42 4.99 1.01 -1.26 -4.77 121.20 122.63 2paw s ILE 879 Ca 0.37 0.55 -0.24 0.00 0.00 0.00 0.00 60.65 61.33 2paw s ILE 879 Cb 0.05 -3.67 -0.11 0.00 0.01 0.00 0.00 42.46 38.74 2paw s ILE 879 CO 0.15 0.26 0.91 0.00 0.00 0.00 0.00 174.94 176.25 2paw n ALA 880 N 0.82 -0.21 -0.86 9.38 0.00 -1.26 -4.92 120.51 123.46 2paw n ALA 880 Ca -0.07 0.21 -0.29 0.00 0.00 0.00 0.00 53.44 53.29 2paw n ALA 880 Cb 0.52 -2.01 0.20 0.00 0.00 0.00 0.00 19.45 18.16 2paw n ALA 880 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2paw s PRO 881 N -1.94 0.09 0.30 0.00 0.04 -1.26 -4.90 135.00 127.33 2paw s PRO 881 Ca 0.64 0.83 0.07 0.00 0.04 0.00 0.00 61.00 62.57 2paw s PRO 881 Cb -0.57 -1.67 0.79 0.00 0.04 0.00 0.00 34.50 33.09 2paw s PRO 881 CO 0.57 -3.05 1.74 -1.35 0.04 0.00 0.00 177.00 174.95 2paw h PRO 882 N -2.13 0.58 -0.21 0.56 0.11 -2.01 -2.44 132.00 126.45 2paw h PRO 882 Ca -0.55 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.48 2paw h PRO 882 Cb 1.31 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 2paw h PRO 882 CO 0.52 0.38 -0.08 0.93 -0.21 0.00 0.00 178.00 179.55 2paw h GLU 883 N 0.59 0.33 -6.86 1.05 3.07 -1.91 -3.44 114.58 107.41 2paw h GLU 883 Ca 0.60 -0.07 -0.55 0.00 -0.50 0.00 0.00 59.36 58.83 2paw h GLU 883 Cb 1.06 -0.05 0.11 0.00 -0.84 0.00 0.00 28.75 29.04 2paw h GLU 883 CO -0.45 0.42 0.65 0.00 -1.40 0.00 0.00 179.01 178.23 2paw n ALA 884 N -2.49 1.89 -1.77 3.43 0.00 -0.92 -4.06 120.51 116.58 2paw n ALA 884 Ca 0.00 0.34 -0.37 0.00 0.00 0.00 0.00 53.44 53.41 2paw n ALA 884 Cb 0.25 -2.35 -0.03 0.00 0.00 0.00 0.00 19.45 17.33 2paw n ALA 884 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2paw s PRO 885 N -2.03 4.08 0.51 0.00 0.04 -1.26 -4.91 135.00 131.43 2paw s PRO 885 Ca 0.55 1.68 0.27 0.00 0.04 0.00 0.00 61.00 63.54 2paw s PRO 885 Cb -0.51 -2.60 1.39 0.00 0.04 0.00 0.00 34.50 32.82 2paw s PRO 885 CO 0.63 -0.25 2.04 0.28 0.04 0.00 0.00 177.00 179.74 2paw h VAL 886 N 2.22 0.57 0.00 -0.36 2.07 -1.93 -2.48 116.25 116.34 2paw h VAL 886 Ca -0.48 -0.60 -0.01 0.00 0.82 0.00 0.00 66.70 66.42 2paw h VAL 886 Cb 1.23 1.39 -0.00 0.00 -1.52 0.00 0.00 31.29 32.39 2paw h VAL 886 CO 0.62 0.13 -0.07 0.74 0.02 0.00 0.00 177.57 179.01 2paw h THR 887 N 0.00 0.15 0.00 2.57 2.02 -1.95 -3.22 112.91 112.48 2paw h THR 887 Ca -0.00 -0.90 0.00 0.00 0.77 0.00 0.00 66.41 66.28 2paw h THR 887 Cb 0.38 1.79 0.00 0.00 -1.74 0.00 0.00 68.15 68.58 2paw h THR 887 CO 0.02 0.07 0.00 0.61 0.37 0.00 0.00 175.52 176.59 2paw n GLY 888 N 0.52 -0.52 2.94 2.16 0.00 -0.93 -4.66 105.19 104.69 2paw n GLY 888 Ca 0.02 -0.06 -0.13 0.00 0.00 0.00 0.00 46.02 45.85 2paw n GLY 888 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2paw s TYR 889 N -2.00 -0.12 0.14 1.61 1.51 -1.22 -4.83 117.35 112.45 2paw s TYR 889 Ca 0.13 0.34 -0.28 0.00 -1.01 0.00 0.00 57.07 56.25 2paw s TYR 889 Cb 0.06 -0.03 -0.02 0.00 -0.11 0.00 0.00 41.96 41.86 2paw s TYR 889 CO 0.10 -0.10 1.58 1.98 -1.11 0.00 0.00 175.55 178.01 2paw h MET 890 N 6.55 -0.38 -0.99 -0.62 4.05 -1.86 -2.77 114.93 118.91 2paw h MET 890 Ca -0.33 0.03 -0.61 0.00 -0.28 0.00 0.00 59.70 58.50 2paw h MET 890 Cb 1.17 0.09 -0.37 0.00 -0.80 0.00 0.00 31.60 31.69 2paw h MET 890 CO 0.44 -0.25 -0.14 1.19 0.23 0.00 0.00 176.91 178.38 2paw n PHE 891 N -5.42 2.99 -1.73 1.39 3.72 -1.26 -2.57 117.46 114.58 2paw n PHE 891 Ca -0.02 -2.58 0.02 0.00 -0.05 0.00 0.00 57.45 54.81 2paw n PHE 891 Cb 0.35 -0.73 -0.00 0.00 -0.94 0.00 0.00 39.48 38.16 2paw n PHE 891 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2paw n GLY 892 N -0.74 -2.11 3.55 1.37 0.00 -1.05 -4.29 105.19 101.92 2paw n GLY 892 Ca 0.50 -1.44 -0.42 0.00 0.00 0.00 0.00 46.02 44.66 2paw n GLY 892 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2paw s LYS 893 N -0.71 3.69 0.06 1.61 1.02 -1.26 -4.81 119.74 119.33 2paw s LYS 893 Ca 0.00 -1.43 0.01 0.00 0.02 0.00 0.00 55.97 54.57 2paw s LYS 893 Cb 0.00 -5.33 -0.00 0.00 -0.52 0.00 0.00 37.83 31.97 2paw s LYS 893 CO 0.00 -2.15 0.03 0.41 -0.92 0.00 0.00 175.35 172.72 2paw n GLY 894 N 6.32 3.92 3.60 -3.33 0.00 -1.26 -4.79 105.19 109.65 2paw n GLY 894 Ca 0.35 -1.82 -0.35 0.00 0.00 0.00 0.00 46.02 44.20 2paw n GLY 894 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2paw s ILE 895 N -1.98 4.77 -0.10 -0.61 1.09 -0.06 -4.76 121.20 119.54 2paw s ILE 895 Ca 0.05 -0.03 -0.08 0.00 -1.10 0.00 0.00 60.65 59.48 2paw s ILE 895 Cb 0.00 -3.18 -0.04 0.00 -1.06 0.00 0.00 42.46 38.18 2paw s ILE 895 CO 0.03 0.42 0.18 -0.31 -0.10 0.00 0.00 174.94 175.16 2paw s TYR 896 N 0.72 3.62 0.20 3.97 1.51 -1.26 -2.64 117.35 123.47 2paw s TYR 896 Ca 0.04 0.60 0.01 0.00 -1.01 0.00 0.00 57.07 56.71 2paw s TYR 896 Cb -0.13 -2.00 -0.05 0.00 -0.11 0.00 0.00 41.96 39.67 2paw s TYR 896 CO 0.02 0.71 0.05 -0.06 -1.11 0.00 0.00 175.55 175.16 2paw s PHE 897 N -1.00 1.31 0.17 2.71 0.40 0.20 -4.78 117.98 116.98 2paw s PHE 897 Ca 0.16 -1.11 -0.00 0.00 -0.60 0.00 0.00 56.93 55.38 2paw s PHE 897 Cb -0.13 -0.75 -0.04 0.00 0.51 0.00 0.00 43.02 42.61 2paw s PHE 897 CO 0.05 -0.30 0.07 0.00 0.70 0.00 0.00 175.22 175.74 2paw s ALA 898 N -3.74 1.14 -0.76 5.36 0.00 -0.47 -1.88 121.76 121.41 2paw s ALA 898 Ca 0.30 -1.60 0.08 0.00 0.00 0.00 0.00 51.96 50.74 2paw s ALA 898 Cb 0.07 0.96 -0.00 0.00 0.00 0.00 0.00 23.12 24.14 2paw s ALA 898 CO 0.08 -0.48 0.57 -0.40 0.00 0.00 0.00 175.76 175.53 2paw n ASP 899 N -0.21 1.09 -4.39 0.00 5.68 -1.26 -1.29 116.55 116.17 2paw n ASP 899 Ca -0.03 -1.05 -0.33 0.00 -0.50 0.00 0.00 54.79 52.88 2paw n ASP 899 Cb 0.64 0.48 -0.14 0.00 -1.14 0.00 0.00 41.12 40.96 2paw n ASP 899 CO 0.00 0.00 0.00 -0.04 -1.33 0.00 0.00 177.20 175.83 2paw s MET 900 N -1.22 3.43 0.38 0.11 -1.94 -1.26 -4.78 119.30 114.01 2paw s MET 900 Ca 0.07 -0.66 0.13 0.00 -1.71 0.00 0.00 55.69 53.52 2paw s MET 900 Cb 0.07 -2.68 0.76 0.00 2.01 0.00 0.00 34.83 34.99 2paw s MET 900 CO 0.21 0.22 1.84 -0.24 -0.01 0.00 0.00 175.02 177.04 2paw h VAL 901 N 5.36 1.23 -0.14 -6.03 3.04 -1.78 -3.00 116.25 114.93 2paw h VAL 901 Ca -0.26 -1.23 0.04 0.00 -1.01 0.00 0.00 66.70 64.24 2paw h VAL 901 Cb 1.21 1.67 -0.05 0.00 -2.01 0.00 0.00 31.29 32.11 2paw h VAL 901 CO 0.57 0.35 -0.17 0.28 -1.01 0.00 0.00 177.57 177.59 2paw h SER 902 N 0.00 -0.53 -0.73 3.17 0.02 -1.89 0.70 113.55 114.29 2paw h SER 902 Ca -0.00 0.10 0.02 0.00 -0.84 0.00 0.00 61.79 61.06 2paw h SER 902 Cb 0.64 0.25 -0.04 0.00 0.14 0.00 0.00 62.40 63.39 2paw h SER 902 CO 0.05 -0.22 0.47 0.50 -1.14 0.00 0.00 176.83 176.49 2paw h LYS 903 N -0.21 0.92 -0.10 3.45 3.64 -1.83 -2.95 116.57 119.50 2paw h LYS 903 Ca 0.10 -0.06 -0.08 0.00 -1.27 0.00 0.00 60.65 59.35 2paw h LYS 903 Cb 0.36 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 2paw h LYS 903 CO -0.26 0.61 -0.24 0.77 -2.27 0.00 0.00 179.45 178.06 2paw h SER 904 N 0.95 0.38 0.00 4.20 0.02 -1.42 -3.21 113.55 114.46 2paw h SER 904 Ca 0.28 -0.58 0.00 0.00 -0.84 0.00 0.00 61.79 60.65 2paw h SER 904 Cb -0.05 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.38 2paw h SER 904 CO -0.08 0.89 0.45 0.00 -1.14 0.00 0.00 176.83 176.95 2paw h ALA 905 N 0.50 1.42 0.06 3.77 0.00 0.55 0.11 119.26 125.68 2paw h ALA 905 Ca -0.00 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.66 2paw h ALA 905 Cb 0.84 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.64 2paw h ALA 905 CO 0.05 -0.42 -1.09 -0.91 0.00 0.00 0.00 179.25 176.88 2paw h ASN 906 N 0.00 0.49 0.00 0.00 2.35 -1.52 -3.20 115.58 113.71 2paw h ASN 906 Ca 0.00 -0.45 0.00 0.00 -0.55 0.00 0.00 56.30 55.30 2paw h ASN 906 Cb 0.90 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 39.11 2paw h ASN 906 CO 0.00 1.29 0.00 -1.22 -1.65 0.00 0.00 177.43 175.85 2paw n TYR 907 N -3.65 0.00 0.10 1.19 4.01 0.40 -3.08 117.16 116.13 2paw n TYR 907 Ca -0.08 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.62 2paw n TYR 907 Cb 0.92 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 40.01 2paw n TYR 907 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2paw n HIS 909 N -3.67 -2.21 -3.41 0.00 8.25 -1.18 -4.24 115.22 108.76 2paw n HIS 909 Ca -0.02 0.90 -0.21 0.00 -0.26 0.00 0.00 57.72 58.13 2paw n HIS 909 Cb 0.73 -4.78 0.01 0.00 1.12 0.00 0.00 29.99 27.07 2paw n HIS 909 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2paw s THR 910 N -3.36 2.28 0.00 1.59 -4.23 -1.26 -5.02 115.64 105.64 2paw s THR 910 Ca 0.12 -1.23 0.00 0.00 -1.18 0.00 0.00 61.69 59.40 2paw s THR 910 Cb -0.02 -2.51 0.00 0.00 1.34 0.00 0.00 72.50 71.31 2paw s THR 910 CO 0.72 0.00 0.00 -1.54 -0.54 0.00 0.00 174.62 173.26 2paw n SER 911 N -1.86 0.00 0.14 3.99 3.41 -0.04 -4.97 113.62 114.28 2paw n SER 911 Ca 0.07 -0.84 -0.00 0.00 -0.26 0.00 0.00 58.87 57.83 2paw n SER 911 Cb 0.62 0.00 0.25 0.00 -0.26 0.00 0.00 64.21 64.82 2paw n SER 911 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 2paw h GLN 912 N 0.00 0.08 0.00 4.33 -0.00 -1.98 -2.54 115.11 115.01 2paw h GLN 912 Ca 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 58.65 58.61 2paw h GLN 912 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.48 2paw h GLN 912 CO 0.00 0.53 -0.24 0.00 0.00 0.00 0.00 178.83 179.12 2paw h ALA 913 N 1.46 0.87 -2.01 3.38 0.00 -2.00 -3.38 119.26 117.58 2paw h ALA 913 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 54.91 54.47 2paw h ALA 913 Cb 0.85 0.00 -0.32 0.00 0.00 0.00 0.00 17.79 18.32 2paw h ALA 913 CO 0.06 0.00 -0.78 0.34 0.00 0.00 0.00 179.25 178.87 2paw s ASP 914 N -5.38 1.00 0.41 0.00 2.15 -1.09 -5.03 116.67 108.73 2paw s ASP 914 Ca 0.07 -2.24 0.24 0.00 0.43 0.00 0.00 52.55 51.04 2paw s ASP 914 Cb 0.09 0.31 0.43 0.00 -0.30 0.00 0.00 42.92 43.45 2paw s ASP 914 CO 0.68 -0.19 1.64 1.55 -0.17 0.00 0.00 175.17 178.67 2paw h PRO 915 N 6.16 0.00 -6.02 4.34 0.13 -1.66 -0.07 132.00 134.88 2paw h PRO 915 Ca 0.14 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.71 2paw h PRO 915 Cb 1.00 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.08 2paw h PRO 915 CO 0.24 0.00 0.12 0.42 -0.23 0.00 0.00 178.00 178.54 2paw s ILE 916 N -3.20 5.03 0.30 -3.56 -1.09 -1.26 -0.68 121.20 116.75 2paw s ILE 916 Ca 0.07 1.46 0.05 0.00 -2.23 0.00 0.00 60.65 60.01 2paw s ILE 916 Cb 0.06 -4.05 -0.06 0.00 -1.58 0.00 0.00 42.46 36.83 2paw s ILE 916 CO 0.66 0.23 -0.01 -0.83 -1.23 0.00 0.00 174.94 173.76 2paw s GLY 917 N 0.85 1.95 0.01 6.18 0.00 0.13 -4.95 107.32 111.49 2paw s GLY 917 Ca 0.37 -1.98 0.08 0.00 0.00 0.00 0.00 44.72 43.19 2paw s GLY 917 CO 0.18 -1.84 -0.25 1.08 0.00 0.00 0.00 173.10 172.27 2paw s LEU 918 N -3.47 2.11 -0.06 0.66 1.43 -1.26 -0.10 118.68 117.99 2paw s LEU 918 Ca 0.32 -0.51 -0.08 0.00 -1.03 0.00 0.00 54.13 52.84 2paw s LEU 918 Cb 0.06 -1.23 0.02 0.00 0.03 0.00 0.00 46.19 45.07 2paw s LEU 918 CO 0.13 0.27 0.21 -0.51 0.23 0.00 0.00 176.35 176.68 2paw s ILE 919 N -0.69 0.02 -0.06 -0.59 2.07 -0.56 -4.09 121.20 117.30 2paw s ILE 919 Ca 0.10 -0.13 -0.03 0.00 -1.41 0.00 0.00 60.65 59.17 2paw s ILE 919 Cb -0.09 -0.34 -0.04 0.00 0.13 0.00 0.00 42.46 42.11 2paw s ILE 919 CO 0.01 -0.07 0.10 -0.76 -1.91 0.00 0.00 174.94 172.30 2paw s LEU 920 N -0.20 4.07 -0.27 8.50 1.43 0.31 -0.44 118.68 132.09 2paw s LEU 920 Ca -0.03 0.28 -0.03 0.00 -1.03 0.00 0.00 54.13 53.33 2paw s LEU 920 Cb -0.03 -2.18 0.03 0.00 0.03 0.00 0.00 46.19 44.05 2paw s LEU 920 CO 0.01 0.34 -0.02 -0.76 0.23 0.00 0.00 176.35 176.14 2paw s LEU 921 N -1.38 3.47 0.15 1.79 1.43 -0.75 0.23 118.68 123.62 2paw s LEU 921 Ca 0.19 -0.92 0.11 0.00 -1.03 0.00 0.00 54.13 52.48 2paw s LEU 921 Cb -0.12 -1.72 -0.04 0.00 0.03 0.00 0.00 46.19 44.34 2paw s LEU 921 CO 0.09 -0.17 -0.25 -0.83 0.23 0.00 0.00 176.35 175.43 2paw s GLY 922 N 1.35 1.57 -0.28 -3.19 0.00 0.13 -1.82 107.32 105.08 2paw s GLY 922 Ca -0.00 -1.50 -0.21 0.00 0.00 0.00 0.00 44.72 43.00 2paw s GLY 922 CO -0.02 -1.51 0.69 1.85 0.00 0.00 0.00 173.10 174.11 2paw s GLU 923 N -2.30 4.01 -0.13 2.90 2.12 0.66 -0.40 118.70 125.56 2paw s GLU 923 Ca 0.16 0.51 0.02 0.00 0.36 0.00 0.00 54.97 56.02 2paw s GLU 923 Cb -0.09 -3.69 0.01 0.00 0.26 0.00 0.00 34.13 30.62 2paw s GLU 923 CO 0.07 -0.54 -0.21 0.54 -0.54 0.00 0.00 175.26 174.58 2paw s VAL 924 N 2.68 1.94 -0.95 3.70 0.11 0.45 -0.93 120.40 127.40 2paw s VAL 924 Ca 0.28 -0.91 -0.24 0.00 -2.93 0.00 0.00 61.98 58.18 2paw s VAL 924 Cb -0.15 -1.72 0.01 0.00 -1.53 0.00 0.00 36.38 32.99 2paw s VAL 924 CO 0.10 0.53 1.63 0.00 -3.33 0.00 0.00 175.10 174.04 2paw s ALA 925 N 0.83 2.32 0.01 1.54 0.00 0.07 -1.64 121.76 124.88 2paw s ALA 925 Ca -0.07 -1.89 -0.19 0.00 0.00 0.00 0.00 51.96 49.81 2paw s ALA 925 Cb -0.15 -4.52 -0.24 0.00 0.00 0.00 0.00 23.12 18.21 2paw s ALA 925 CO -0.01 -4.04 1.09 -0.07 0.00 0.00 0.00 175.76 172.73 2paw h LEU 926 N 14.76 0.58 0.00 0.00 3.38 -1.37 -3.46 115.31 129.21 2paw h LEU 926 Ca 0.12 -0.77 0.00 0.00 0.09 0.00 0.00 57.88 57.32 2paw h LEU 926 Cb 1.02 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.59 2paw h LEU 926 CO 1.34 1.28 0.00 0.61 0.09 0.00 0.00 178.44 181.76 2paw n GLY 927 N 1.12 3.35 3.66 0.83 0.00 0.10 -3.53 105.19 110.73 2paw n GLY 927 Ca -0.11 -0.21 -0.41 0.00 0.00 0.00 0.00 46.02 45.29 2paw n GLY 927 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2paw s ASN 928 N -4.00 6.83 -0.14 1.61 0.01 -1.26 -4.69 114.94 113.29 2paw s ASN 928 Ca 0.00 1.01 -0.14 0.00 -0.71 0.00 0.00 52.86 53.03 2paw s ASN 928 Cb 0.00 -2.41 -0.05 0.00 0.41 0.00 0.00 41.25 39.20 2paw s ASN 928 CO 0.00 -0.37 0.30 -0.04 -1.51 0.00 0.00 177.10 175.49 2paw s MET 929 N 2.18 4.17 -0.77 -0.60 -1.94 -1.26 0.00 119.30 121.08 2paw s MET 929 Ca 0.34 0.13 -0.23 0.00 -1.71 0.00 0.00 55.69 54.22 2paw s MET 929 Cb -0.16 -3.39 0.07 0.00 2.01 0.00 0.00 34.83 33.36 2paw s MET 929 CO 0.11 0.31 1.14 -0.47 -0.01 0.00 0.00 175.02 176.10 2paw s TYR 930 N 0.23 2.63 -0.13 -0.03 5.04 -0.05 -4.86 117.35 120.17 2paw s TYR 930 Ca 0.18 -0.61 -0.29 0.00 -2.44 0.00 0.00 57.07 53.90 2paw s TYR 930 Cb -0.13 -4.43 -0.01 0.00 0.35 0.00 0.00 41.96 37.73 2paw s TYR 930 CO 0.05 -1.77 1.15 -1.21 -1.34 0.00 0.00 175.55 172.44 2paw s GLU 931 N 4.36 4.31 0.06 4.97 2.02 -1.26 -2.06 118.70 131.11 2paw s GLU 931 Ca 0.30 1.56 0.08 0.00 0.02 0.00 0.00 54.97 56.93 2paw s GLU 931 Cb -0.10 -3.64 -0.03 0.00 0.10 0.00 0.00 34.13 30.46 2paw s GLU 931 CO 0.05 -0.54 -0.22 -0.51 0.02 0.00 0.00 175.26 174.06 2paw s LEU 932 N 2.78 2.21 -0.01 1.80 1.43 -0.70 -4.97 118.68 121.22 2paw s LEU 932 Ca 0.52 -0.58 0.19 0.00 -1.03 0.00 0.00 54.13 53.22 2paw s LEU 932 Cb -0.21 -1.00 -0.23 0.00 0.03 0.00 0.00 46.19 44.78 2paw s LEU 932 CO 0.16 0.15 0.67 0.29 0.23 0.00 0.00 176.35 177.85 2paw n LYS 933 N 1.60 0.79 -3.75 1.70 5.02 -1.26 0.33 118.16 122.58 2paw n LYS 933 Ca -0.18 -0.05 -0.12 0.00 -2.02 0.00 0.00 58.31 55.94 2paw n LYS 933 Cb 0.53 -1.40 -0.08 0.00 -0.02 0.00 0.00 35.03 34.07 2paw n LYS 933 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2paw s ASN 934 N -3.20 -0.15 0.46 4.39 4.22 -1.26 -1.91 114.94 117.49 2paw s ASN 934 Ca 0.03 -0.11 -0.20 0.00 -2.14 0.00 0.00 52.86 50.44 2paw s ASN 934 Cb 0.13 0.35 -0.14 0.00 1.28 0.00 0.00 41.25 42.87 2paw s ASN 934 CO 0.77 -0.57 0.20 0.00 -2.04 0.00 0.00 177.10 175.46 2paw n ALA 935 N 0.77 -2.42 -3.65 3.54 0.00 -1.26 -5.03 120.51 112.46 2paw n ALA 935 Ca -0.19 0.06 -0.06 0.00 0.00 0.00 0.00 53.44 53.25 2paw n ALA 935 Cb 0.58 -1.57 -0.07 0.00 0.00 0.00 0.00 19.45 18.39 2paw n ALA 935 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2paw s SER 936 N -1.02 -0.84 -1.57 0.00 0.15 -1.06 -5.05 113.70 104.32 2paw s SER 936 Ca 0.61 1.36 -0.11 0.00 0.70 0.00 0.00 55.95 58.51 2paw s SER 936 Cb -0.57 1.52 -0.06 0.00 -1.71 0.00 0.00 66.02 65.20 2paw s SER 936 CO 0.61 -0.23 2.79 1.41 1.20 0.00 0.00 173.24 179.03 2paw n HIS 937 N 4.74 2.60 -1.69 3.44 8.25 -1.26 -3.56 115.22 127.74 2paw n HIS 937 Ca -0.17 -3.03 -0.52 0.00 -0.26 0.00 0.00 57.72 53.74 2paw n HIS 937 Cb 0.55 -2.48 -0.06 0.00 1.12 0.00 0.00 29.99 29.12 2paw n HIS 937 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 2paw n ILE 938 N 3.92 0.40 -0.12 1.59 5.41 -1.26 -4.76 119.36 124.53 2paw n ILE 938 Ca 0.72 -0.07 -0.22 0.00 1.00 0.00 0.00 62.75 64.18 2paw n ILE 938 Cb 0.26 -1.54 -0.09 0.00 -0.71 0.00 0.00 39.64 37.56 2paw n ILE 938 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 2paw n THR 939 N 4.66 1.30 -4.31 1.39 -1.04 -1.26 -4.32 114.28 110.70 2paw n THR 939 Ca 0.23 -0.39 -0.23 0.00 -2.04 0.00 0.00 64.05 61.62 2paw n THR 939 Cb 0.22 -1.62 -0.12 0.00 -1.82 0.00 0.00 70.33 66.99 2paw n THR 939 CO 0.00 0.00 0.00 -1.59 -0.64 0.00 0.00 175.07 172.84 2paw s LYS 940 N -2.44 1.21 -0.11 -2.82 -2.85 -1.26 -5.05 119.74 106.42 2paw s LYS 940 Ca -0.32 -1.29 -0.09 0.00 -1.00 0.00 0.00 55.97 53.26 2paw s LYS 940 Cb 0.11 -1.38 -0.04 0.00 -2.06 0.00 0.00 37.83 34.46 2paw s LYS 940 CO 0.46 0.30 0.20 -1.17 0.10 0.00 0.00 175.35 175.23 2paw s LEU 941 N -2.30 4.37 0.51 2.77 2.96 -1.26 -5.06 118.68 120.67 2paw s LEU 941 Ca 0.11 0.53 -0.23 0.00 -0.22 0.00 0.00 54.13 54.32 2paw s LEU 941 Cb -0.08 -2.19 -0.06 0.00 0.50 0.00 0.00 46.19 44.37 2paw s LEU 941 CO 0.06 0.34 1.35 -2.84 -1.32 0.00 0.00 176.35 173.93 2paw s PRO 942 N -0.73 3.34 0.27 0.98 0.02 -1.26 -4.89 135.00 132.72 2paw s PRO 942 Ca 0.16 2.22 -0.30 0.00 0.02 0.00 0.00 61.00 63.09 2paw s PRO 942 Cb -0.13 -2.37 -0.13 0.00 0.02 0.00 0.00 34.50 31.89 2paw s PRO 942 CO 0.05 -1.02 1.30 1.63 -0.33 0.00 0.00 177.00 178.63 2paw n LYS 943 N -0.76 1.90 0.00 5.54 4.76 -1.26 -1.48 118.16 126.86 2paw n LYS 943 Ca 0.09 0.67 0.00 0.00 -2.87 0.00 0.00 58.31 56.20 2paw n LYS 943 Cb 0.45 -2.26 0.00 0.00 -1.84 0.00 0.00 35.03 31.38 2paw n LYS 943 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2paw n GLY 944 N 1.63 2.29 3.88 0.72 0.00 -1.26 -5.04 105.19 107.42 2paw n GLY 944 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 2paw n GLY 944 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2paw s LYS 945 N -0.64 3.57 -0.01 1.61 -0.14 -0.55 -4.57 119.74 119.02 2paw s LYS 945 Ca 0.00 -0.08 0.06 0.00 -1.36 0.00 0.00 55.97 54.60 2paw s LYS 945 Cb 0.00 -3.10 -0.08 0.00 -1.68 0.00 0.00 37.83 32.97 2paw s LYS 945 CO 0.00 0.67 0.18 0.72 -0.76 0.00 0.00 175.35 176.16 2paw n HIS 946 N 1.25 0.00 -3.85 3.18 8.25 0.10 -4.80 115.22 119.35 2paw n HIS 946 Ca -0.12 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.25 2paw n HIS 946 Cb 0.53 -0.09 0.01 0.00 1.12 0.00 0.00 29.99 31.56 2paw n HIS 946 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2paw s SER 947 N -2.26 0.03 -0.03 0.41 1.04 -1.16 -4.63 113.70 107.10 2paw s SER 947 Ca -0.00 -1.07 0.07 0.00 0.48 0.00 0.00 55.95 55.43 2paw s SER 947 Cb 0.04 0.80 -0.02 0.00 0.10 0.00 0.00 66.02 66.95 2paw s SER 947 CO 0.25 -1.57 -0.24 -0.69 0.98 0.00 0.00 173.24 171.97 2paw s VAL 948 N -2.74 2.24 -0.29 5.02 1.01 0.21 -0.87 120.40 124.98 2paw s VAL 948 Ca 0.16 -1.03 0.00 0.00 0.00 0.00 0.00 61.98 61.11 2paw s VAL 948 Cb -0.05 -1.80 0.09 0.00 0.00 0.00 0.00 36.38 34.62 2paw s VAL 948 CO 0.11 0.58 0.06 -0.75 0.00 0.00 0.00 175.10 175.10 2paw s LYS 949 N -0.57 1.00 -0.04 2.72 2.20 -0.87 -1.14 119.74 123.03 2paw s LYS 949 Ca 0.09 -1.16 -0.30 0.00 -0.36 0.00 0.00 55.97 54.23 2paw s LYS 949 Cb -0.11 -2.34 -0.04 0.00 -1.51 0.00 0.00 37.83 33.83 2paw s LYS 949 CO -0.00 -0.89 1.38 0.20 -0.36 0.00 0.00 175.35 175.68 2paw s GLY 950 N 1.46 1.81 0.35 5.54 0.00 0.15 -1.72 107.32 114.91 2paw s GLY 950 Ca 0.07 0.78 -0.26 0.00 0.00 0.00 0.00 44.72 45.30 2paw s GLY 950 CO -0.17 2.54 1.02 1.08 0.00 0.00 0.00 173.10 177.57 2paw s LEU 951 N 2.78 4.30 0.29 0.66 1.43 0.15 -1.30 118.68 127.00 2paw s LEU 951 Ca 0.62 2.02 0.05 0.00 -1.03 0.00 0.00 54.13 55.80 2paw s LEU 951 Cb -0.29 -4.00 -0.06 0.00 0.03 0.00 0.00 46.19 41.87 2paw s LEU 951 CO 0.24 -0.27 -0.02 -0.83 0.23 0.00 0.00 176.35 175.70 2paw s GLY 952 N -1.43 1.88 0.46 -3.19 0.00 -1.26 -3.90 107.32 99.88 2paw s GLY 952 Ca 0.52 -1.94 0.25 0.00 0.00 0.00 0.00 44.72 43.55 2paw s GLY 952 CO 0.29 -1.82 1.69 0.50 0.00 0.00 0.00 173.10 173.76 2paw h LYS 953 N 2.24 0.00 -5.23 2.90 1.57 -1.03 -3.42 116.57 113.60 2paw h LYS 953 Ca -0.40 0.00 -0.40 0.00 -1.87 0.00 0.00 60.65 57.98 2paw h LYS 953 Cb 1.23 0.00 -0.22 0.00 0.08 0.00 0.00 32.23 33.33 2paw h LYS 953 CO 0.68 0.03 -0.77 0.99 -0.57 0.00 0.00 179.45 179.80 2paw s THR 954 N -3.31 1.03 0.10 -0.16 2.01 -0.75 -1.00 115.64 113.56 2paw s THR 954 Ca 0.05 -1.25 -0.26 0.00 0.31 0.00 0.00 61.69 60.55 2paw s THR 954 Cb 0.06 -1.00 0.08 0.00 0.01 0.00 0.00 72.50 71.65 2paw s THR 954 CO 0.65 -0.23 0.96 0.00 -0.69 0.00 0.00 174.62 175.31 2paw s ALA 955 N -1.25 -1.73 0.49 7.40 0.00 -1.19 -3.99 121.76 121.50 2paw s ALA 955 Ca -0.03 0.39 -0.22 0.00 0.00 0.00 0.00 51.96 52.11 2paw s ALA 955 Cb -0.10 0.56 -0.07 0.00 0.00 0.00 0.00 23.12 23.52 2paw s ALA 955 CO 0.02 -0.95 1.16 -2.14 0.00 0.00 0.00 175.76 173.84 2paw s PRO 956 N -3.19 3.58 -0.20 0.00 0.02 -1.26 -1.27 135.00 132.68 2paw s PRO 956 Ca 0.10 1.72 -0.28 0.00 0.02 0.00 0.00 61.00 62.56 2paw s PRO 956 Cb -0.01 -2.25 -0.05 0.00 0.02 0.00 0.00 34.50 32.21 2paw s PRO 956 CO -0.01 -0.69 2.12 0.34 -0.33 0.00 0.00 177.00 178.43 2paw s ASP 957 N -1.51 5.67 0.28 2.53 2.15 -0.31 -4.83 116.67 120.65 2paw s ASP 957 Ca 0.67 1.92 0.21 0.00 0.43 0.00 0.00 52.55 55.78 2paw s ASP 957 Cb -0.27 -2.52 1.06 0.00 -0.30 0.00 0.00 42.92 40.89 2paw s ASP 957 CO 0.32 -1.79 1.64 -0.81 -0.17 0.00 0.00 175.17 174.36 2paw n PRO 958 N 8.52 0.15 0.20 4.34 -0.04 -1.26 -1.18 135.00 145.72 2paw n PRO 958 Ca 0.27 0.57 0.09 0.00 -0.04 0.00 0.00 63.50 64.39 2paw n PRO 958 Cb 0.45 -1.91 0.28 0.00 -0.04 0.00 0.00 33.50 32.28 2paw n PRO 958 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 2paw h THR 959 N 0.00 0.45 -0.01 0.52 1.35 -2.00 -3.12 112.91 110.09 2paw h THR 959 Ca 0.00 -1.36 0.00 0.00 -0.55 0.00 0.00 66.41 64.50 2paw h THR 959 Cb 0.10 2.00 0.00 0.00 -1.73 0.00 0.00 68.15 68.52 2paw h THR 959 CO 0.00 0.22 -0.41 0.00 -0.25 0.00 0.00 175.52 175.09 2paw n ALA 960 N -2.18 3.40 -1.63 6.62 0.00 -0.33 -4.96 120.51 121.43 2paw n ALA 960 Ca 0.02 -0.44 -0.45 0.00 0.00 0.00 0.00 53.44 52.57 2paw n ALA 960 Cb 0.54 -1.06 -0.02 0.00 0.00 0.00 0.00 19.45 18.91 2paw n ALA 960 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2paw n THR 961 N -0.85 1.47 -4.48 0.00 -1.04 -1.18 -4.53 114.28 103.66 2paw n THR 961 Ca 0.09 -0.37 -0.22 0.00 -2.04 0.00 0.00 64.05 61.52 2paw n THR 961 Cb 0.36 -1.22 -0.05 0.00 -1.82 0.00 0.00 70.33 67.60 2paw n THR 961 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 2paw n THR 962 N 1.00 0.00 -4.32 12.58 -1.04 -0.86 -4.95 114.28 116.69 2paw n THR 962 Ca 0.10 -1.81 -0.22 0.00 -2.04 0.00 0.00 64.05 60.07 2paw n THR 962 Cb 0.31 0.50 -0.12 0.00 -1.82 0.00 0.00 70.33 69.21 2paw n THR 962 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 2paw s THR 963 N -2.55 1.79 -0.15 12.58 -1.32 -1.26 0.31 115.64 125.05 2paw s THR 963 Ca 0.08 -1.79 -0.04 0.00 -1.21 0.00 0.00 61.69 58.72 2paw s THR 963 Cb 0.00 -1.75 0.07 0.00 -1.51 0.00 0.00 72.50 69.31 2paw s THR 963 CO 0.05 -0.23 0.20 -0.22 -2.21 0.00 0.00 174.62 172.22 2paw s LEU 964 N -2.42 -0.12 -1.55 9.08 0.20 0.16 -4.82 118.68 119.21 2paw s LEU 964 Ca 0.13 0.12 -0.12 0.00 0.69 0.00 0.00 54.13 54.95 2paw s LEU 964 Cb -0.07 0.38 0.09 0.00 -0.43 0.00 0.00 46.19 46.16 2paw s LEU 964 CO 0.06 -0.28 0.79 -0.67 -0.29 0.00 0.00 176.35 175.96 2paw n ASP 965 N 5.33 -3.17 -0.64 3.68 2.03 -1.26 -0.26 116.55 122.26 2paw n ASP 965 Ca -0.05 -0.90 -0.08 0.00 0.52 0.00 0.00 54.79 54.28 2paw n ASP 965 Cb 0.50 -3.37 -0.03 0.00 -0.72 0.00 0.00 41.12 37.50 2paw n ASP 965 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2paw n GLY 966 N -1.63 0.80 3.23 0.27 0.00 -1.26 -5.01 105.19 101.59 2paw n GLY 966 Ca -0.04 -0.67 -0.29 0.00 0.00 0.00 0.00 46.02 45.01 2paw n GLY 966 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2paw s VAL 967 N -2.30 1.82 0.11 1.61 1.01 0.64 -4.95 120.40 118.34 2paw s VAL 967 Ca 0.00 -0.95 -0.30 0.00 0.00 0.00 0.00 61.98 60.73 2paw s VAL 967 Cb 0.00 -1.54 -0.07 0.00 0.00 0.00 0.00 36.38 34.78 2paw s VAL 967 CO 0.00 0.51 1.18 -1.61 0.00 0.00 0.00 175.10 175.18 2paw s GLU 968 N -0.20 4.48 -0.33 2.72 2.02 -1.07 0.40 118.70 126.71 2paw s GLU 968 Ca -0.00 1.79 0.04 0.00 0.02 0.00 0.00 54.97 56.81 2paw s GLU 968 Cb -0.12 -3.31 0.09 0.00 0.10 0.00 0.00 34.13 30.90 2paw s GLU 968 CO 0.02 -0.16 0.03 0.08 0.02 0.00 0.00 175.26 175.25 2paw s VAL 969 N 0.55 2.29 -0.78 2.63 1.01 0.15 -1.14 120.40 125.11 2paw s VAL 969 Ca 0.56 -2.22 -0.06 0.00 0.00 0.00 0.00 61.98 60.26 2paw s VAL 969 Cb -0.30 -2.64 -0.09 0.00 0.00 0.00 0.00 36.38 33.36 2paw s VAL 969 CO 0.32 -0.50 2.32 -0.81 0.00 0.00 0.00 175.10 176.43 2paw n PRO 970 N 4.29 2.10 0.00 2.72 -0.05 -1.26 -2.03 135.00 140.77 2paw n PRO 970 Ca 0.01 -1.35 0.00 0.00 -0.05 0.00 0.00 63.50 62.11 2paw n PRO 970 Cb 0.42 -2.34 0.00 0.00 -0.05 0.00 0.00 33.50 31.53 2paw n PRO 970 CO 0.00 0.00 0.00 1.47 -0.05 0.00 0.00 175.50 176.92 2paw n LEU 971 N 3.74 0.00 -4.70 1.53 -0.00 -1.26 -4.66 117.00 111.65 2paw n LEU 971 Ca 0.45 -0.00 -0.30 0.00 -0.00 0.00 0.00 56.01 56.15 2paw n LEU 971 Cb 0.26 -0.00 0.14 0.00 -0.00 0.00 0.00 43.42 43.82 2paw n LEU 971 CO 0.59 0.00 0.67 -0.83 -0.00 0.00 0.00 177.39 177.82 2paw s GLY 972 N -1.18 1.66 0.49 1.47 0.00 -1.26 -4.65 107.32 103.85 2paw s GLY 972 Ca 0.00 0.27 -0.21 0.00 0.00 0.00 0.00 44.72 44.78 2paw s GLY 972 CO 0.00 0.70 1.12 -1.31 0.00 0.00 0.00 173.10 173.61 2paw s ASN 973 N -3.09 6.09 0.04 1.64 0.01 -1.26 -3.97 114.94 114.39 2paw s ASN 973 Ca 0.64 2.17 -0.30 0.00 -0.71 0.00 0.00 52.86 54.66 2paw s ASN 973 Cb -0.20 -2.59 -0.09 0.00 0.41 0.00 0.00 41.25 38.79 2paw s ASN 973 CO 0.58 -0.96 1.96 -0.83 -1.51 0.00 0.00 177.10 176.33 2paw s GLY 974 N -1.64 1.45 -0.03 0.66 0.00 -1.21 -1.16 107.32 105.40 2paw s GLY 974 Ca 0.67 1.32 -0.00 0.00 0.00 0.00 0.00 44.72 46.70 2paw s GLY 974 CO 0.29 3.45 0.03 -0.42 0.00 0.00 0.00 173.10 176.45 2paw s ILE 975 N 4.40 -0.03 0.23 0.90 1.01 -0.40 -4.92 121.20 122.39 2paw s ILE 975 Ca 0.88 0.24 -0.31 0.00 0.00 0.00 0.00 60.65 61.46 2paw s ILE 975 Cb -0.42 -0.13 -0.14 0.00 0.01 0.00 0.00 42.46 41.78 2paw s ILE 975 CO 0.41 0.12 1.31 -1.54 0.00 0.00 0.00 174.94 175.24 2paw n SER 976 N 4.42 2.31 -4.86 3.58 3.41 -1.26 -3.14 113.62 118.07 2paw n SER 976 Ca -0.23 1.15 -0.31 0.00 -0.26 0.00 0.00 58.87 59.22 2paw n SER 976 Cb 0.50 -1.37 -0.01 0.00 -0.26 0.00 0.00 64.21 63.07 2paw n SER 976 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2paw s THR 977 N -0.22 4.65 0.18 6.66 -4.23 -0.17 -4.92 115.64 117.59 2paw s THR 977 Ca 0.68 0.97 -0.13 0.00 -1.18 0.00 0.00 61.69 62.03 2paw s THR 977 Cb -0.70 -3.81 0.09 0.00 1.34 0.00 0.00 72.50 69.42 2paw s THR 977 CO 0.52 -0.96 1.74 1.23 -0.54 0.00 0.00 174.62 176.60 2paw h GLY 978 N 0.18 0.61 -3.09 3.99 0.00 -1.92 -3.43 103.07 99.40 2paw h GLY 978 Ca -0.45 -0.07 -0.55 0.00 0.00 0.00 0.00 47.33 46.26 2paw h GLY 978 CO 0.62 -0.01 0.60 4.51 0.00 0.00 0.00 176.54 182.26 2paw n ILE 979 N -5.04 3.39 -0.11 2.60 3.06 -1.26 -4.93 119.36 117.06 2paw n ILE 979 Ca 0.05 -0.50 0.00 0.00 -2.50 0.00 0.00 62.75 59.80 2paw n ILE 979 Cb 0.20 -1.69 0.00 0.00 0.54 0.00 0.00 39.64 38.69 2paw n ILE 979 CO 0.00 0.00 0.00 -0.46 -2.50 0.00 0.00 176.55 173.59 2paw n ASN 980 N -0.62 0.00 -1.06 9.51 0.23 -1.26 -4.71 115.26 117.34 2paw n ASN 980 Ca 0.09 0.00 0.02 0.00 -0.53 0.00 0.00 54.58 54.16 2paw n ASN 980 Cb 0.43 0.00 0.16 0.00 -2.08 0.00 0.00 39.78 38.29 2paw n ASN 980 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 2paw n ASP 981 N 0.00 2.88 -4.95 0.53 5.75 -1.26 -4.87 116.55 114.63 2paw n ASP 981 Ca 0.00 -2.37 -0.24 0.00 -0.01 0.00 0.00 54.79 52.16 2paw n ASP 981 Cb 0.00 -0.58 -0.03 0.00 -1.03 0.00 0.00 41.12 39.49 2paw n ASP 981 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 2paw s THR 982 N -1.68 5.28 -0.14 2.12 -1.32 -1.26 -4.97 115.64 113.67 2paw s THR 982 Ca 0.21 -0.73 0.19 0.00 -1.21 0.00 0.00 61.69 60.15 2paw s THR 982 Cb 0.16 -3.79 -0.14 0.00 -1.51 0.00 0.00 72.50 67.22 2paw s THR 982 CO 0.06 -0.21 0.76 0.00 -2.21 0.00 0.00 174.62 173.02 2paw s LEU 984 N -5.49 4.60 0.10 0.00 1.43 -1.25 -4.94 118.68 113.14 2paw s LEU 984 Ca -0.04 1.89 0.04 0.00 -1.03 0.00 0.00 54.13 55.00 2paw s LEU 984 Cb 0.09 -3.59 -0.23 0.00 0.03 0.00 0.00 46.19 42.49 2paw s LEU 984 CO 0.82 0.09 1.22 -0.07 0.23 0.00 0.00 176.35 178.64 2paw h LEU 985 N 4.60 0.12 -8.67 1.79 3.38 -1.91 -2.02 115.31 112.60 2paw h LEU 985 Ca -0.44 -0.13 -0.39 0.00 0.09 0.00 0.00 57.88 57.01 2paw h LEU 985 Cb 1.20 -0.04 -0.16 0.00 0.09 0.00 0.00 40.66 41.75 2paw h LEU 985 CO 0.69 1.10 -0.74 -0.31 0.09 0.00 0.00 178.44 179.27 2paw s TYR 986 N -2.69 1.41 0.61 1.13 2.02 -1.26 -1.82 117.35 116.74 2paw s TYR 986 Ca -0.01 -0.62 -0.17 0.00 -0.37 0.00 0.00 57.07 55.90 2paw s TYR 986 Cb 0.09 -0.71 -0.03 0.00 -0.40 0.00 0.00 41.96 40.91 2paw s TYR 986 CO 0.84 0.16 1.12 -0.80 -1.57 0.00 0.00 175.55 175.31 2paw s ASN 987 N -2.84 5.36 -0.03 2.29 0.01 -1.26 -4.14 114.94 114.33 2paw s ASN 987 Ca 0.14 2.10 -0.01 0.00 -0.71 0.00 0.00 52.86 54.38 2paw s ASN 987 Cb -0.02 -2.57 0.03 0.00 0.41 0.00 0.00 41.25 39.11 2paw s ASN 987 CO 0.03 -1.46 0.04 -1.61 -1.51 0.00 0.00 177.10 172.59 2paw s GLU 988 N -3.70 -0.05 -0.13 -0.60 2.02 -0.42 -4.54 118.70 111.28 2paw s GLU 988 Ca 0.70 0.29 -0.02 0.00 0.02 0.00 0.00 54.97 55.96 2paw s GLU 988 Cb -0.23 -0.40 -0.03 0.00 0.10 0.00 0.00 34.13 33.58 2paw s GLU 988 CO 0.35 -0.25 -0.06 0.71 0.02 0.00 0.00 175.26 176.02 2paw s TYR 989 N 1.66 2.96 -0.06 1.61 1.51 -0.79 0.35 117.35 124.60 2paw s TYR 989 Ca -0.02 -0.31 0.01 0.00 -1.01 0.00 0.00 57.07 55.74 2paw s TYR 989 Cb -0.12 -1.89 0.02 0.00 -0.11 0.00 0.00 41.96 39.86 2paw s TYR 989 CO -0.03 -0.01 -0.05 0.42 -1.11 0.00 0.00 175.55 174.77 2paw s ILE 990 N 0.15 0.64 0.01 2.71 1.09 -0.29 -0.63 121.20 124.88 2paw s ILE 990 Ca -0.03 -0.14 0.05 0.00 -1.10 0.00 0.00 60.65 59.43 2paw s ILE 990 Cb -0.14 -0.67 -0.03 0.00 -1.06 0.00 0.00 42.46 40.56 2paw s ILE 990 CO 0.03 0.26 -0.11 0.68 -0.10 0.00 0.00 174.94 175.71 2paw s VAL 991 N 1.17 3.32 -0.63 2.92 -7.23 -1.08 -0.62 120.40 118.25 2paw s VAL 991 Ca -0.07 -0.91 0.15 0.00 -1.81 0.00 0.00 61.98 59.34 2paw s VAL 991 Cb -0.14 -2.42 0.50 0.00 0.56 0.00 0.00 36.38 34.88 2paw s VAL 991 CO -0.01 0.39 1.42 -1.22 -0.31 0.00 0.00 175.10 175.36 2paw n TYR 992 N 1.60 0.92 -4.03 2.82 4.02 -1.26 -0.89 117.16 120.34 2paw n TYR 992 Ca -0.16 -0.69 -0.25 0.00 -0.01 0.00 0.00 57.90 56.79 2paw n TYR 992 Cb 0.52 -0.21 -0.17 0.00 -0.02 0.00 0.00 39.34 39.47 2paw n TYR 992 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 2paw s ASP 993 N -1.37 1.95 0.65 7.72 -1.08 -1.26 -4.99 116.67 118.29 2paw s ASP 993 Ca 0.38 -0.27 0.38 0.00 -0.52 0.00 0.00 52.55 52.52 2paw s ASP 993 Cb 0.26 -0.77 2.11 0.00 -1.46 0.00 0.00 42.92 43.07 2paw s ASP 993 CO 0.15 -0.09 2.25 1.62 0.52 0.00 0.00 175.17 179.61 2paw h VAL 994 N 6.15 0.15 -0.00 1.11 3.04 -1.92 -1.61 116.25 123.17 2paw h VAL 994 Ca -0.30 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.39 2paw h VAL 994 Cb 1.14 0.92 0.00 0.00 -2.01 0.00 0.00 31.29 31.35 2paw h VAL 994 CO 0.41 0.00 -0.05 0.00 -1.01 0.00 0.00 177.57 176.91 2paw n ALA 995 N -2.12 2.70 1.17 3.17 0.00 -1.26 -3.83 120.51 120.33 2paw n ALA 995 Ca -0.02 -0.28 0.07 0.00 0.00 0.00 0.00 53.44 53.20 2paw n ALA 995 Cb 0.16 -1.35 0.23 0.00 0.00 0.00 0.00 19.45 18.49 2paw n ALA 995 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2paw n GLN 996 N -0.73 1.66 -4.22 0.00 6.02 -0.61 -4.17 117.38 115.33 2paw n GLN 996 Ca 0.18 -1.01 -0.17 0.00 -0.01 0.00 0.00 57.00 55.99 2paw n GLN 996 Cb 0.25 -1.29 -0.15 0.00 1.02 0.00 0.00 30.24 30.08 2paw n GLN 996 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2paw s VAL 997 N -1.69 0.50 -0.23 5.09 0.11 -1.25 -0.75 120.40 122.19 2paw s VAL 997 Ca 0.24 -0.27 -0.01 0.00 -2.93 0.00 0.00 61.98 59.02 2paw s VAL 997 Cb 0.13 -0.43 0.06 0.00 -1.53 0.00 0.00 36.38 34.61 2paw s VAL 997 CO 0.18 0.15 -0.00 0.21 -3.33 0.00 0.00 175.10 172.30 2paw s ASN 998 N -0.10 3.55 0.28 3.54 3.04 -0.11 -4.87 114.94 120.27 2paw s ASN 998 Ca 0.02 -1.12 -0.29 0.00 0.04 0.00 0.00 52.86 51.51 2paw s ASN 998 Cb -0.03 -0.95 -0.10 0.00 -1.54 0.00 0.00 41.25 38.63 2paw s ASN 998 CO -0.00 -0.28 1.33 -0.76 -3.04 0.00 0.00 177.10 174.35 2paw s LEU 999 N 1.57 4.42 -0.01 3.21 1.43 -1.26 -0.25 118.68 127.79 2paw s LEU 999 Ca -0.02 2.60 -0.00 0.00 -1.03 0.00 0.00 54.13 55.68 2paw s LEU 999 Cb -0.18 -3.63 -0.01 0.00 0.03 0.00 0.00 46.19 42.40 2paw s LEU 999 CO -0.09 -0.55 -0.01 0.29 0.23 0.00 0.00 176.35 176.22 2paw n LYS 1000N 1.59 0.02 -4.24 1.70 4.76 -0.75 -4.70 118.16 116.54 2paw n LYS 1000Ca 0.03 0.01 -0.18 0.00 -2.87 0.00 0.00 58.31 55.30 2paw n LYS 1000Cb 0.42 -0.69 -0.11 0.00 -1.84 0.00 0.00 35.03 32.81 2paw n LYS 1000CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 2paw s TYR 1001N -2.02 1.39 -0.09 2.13 2.02 -1.04 -0.87 117.35 118.86 2paw s TYR 1001Ca -0.01 -0.57 -0.00 0.00 -0.37 0.00 0.00 57.07 56.11 2paw s TYR 1001Cb 0.00 -0.72 0.02 0.00 -0.40 0.00 0.00 41.96 40.87 2paw s TYR 1001CO 0.02 0.14 -0.06 -1.17 -1.57 0.00 0.00 175.55 172.92 2paw s LEU 1002N -2.54 1.07 -0.05 -1.29 0.20 0.12 -1.81 118.68 114.37 2paw s LEU 1002Ca 0.10 -0.23 -0.01 0.00 0.69 0.00 0.00 54.13 54.68 2paw s LEU 1002Cb -0.04 -0.70 -0.03 0.00 -0.43 0.00 0.00 46.19 44.98 2paw s LEU 1002CO 0.03 -0.12 0.01 -0.76 -0.29 0.00 0.00 176.35 175.22 2paw s LEU 1003N 1.63 3.62 -0.30 -0.68 1.02 0.42 0.59 118.68 124.98 2paw s LEU 1003Ca 0.02 0.11 -0.10 0.00 0.02 0.00 0.00 54.13 54.18 2paw s LEU 1003Cb -0.13 -1.93 -0.02 0.00 0.02 0.00 0.00 46.19 44.13 2paw s LEU 1003CO -0.06 0.34 0.16 -0.75 0.02 0.00 0.00 176.35 176.06 2paw s LYS 1004N -1.17 3.49 0.07 1.70 2.20 0.13 -1.50 119.74 124.66 2paw s LYS 1004Ca 0.16 -0.62 0.05 0.00 -0.36 0.00 0.00 55.97 55.20 2paw s LYS 1004Cb -0.11 -3.57 -0.04 0.00 -1.51 0.00 0.00 37.83 32.59 2paw s LYS 1004CO 0.06 -0.35 -0.05 -0.51 -0.36 0.00 0.00 175.35 174.14 2paw s LEU 1005N 1.65 3.27 -0.21 5.43 1.43 0.86 -1.53 118.68 129.57 2paw s LEU 1005Ca 0.05 -0.23 0.02 0.00 -1.03 0.00 0.00 54.13 52.94 2paw s LEU 1005Cb -0.17 -1.99 0.04 0.00 0.03 0.00 0.00 46.19 44.10 2paw s LEU 1005CO 0.07 0.20 -0.17 -0.75 0.23 0.00 0.00 176.35 175.94 2paw s LYS 1006N -2.06 2.70 -0.06 1.70 2.20 0.12 0.22 119.74 124.56 2paw s LYS 1006Ca 0.22 -1.03 -0.25 0.00 -0.36 0.00 0.00 55.97 54.55 2paw s LYS 1006Cb -0.11 -2.69 -0.03 0.00 -1.51 0.00 0.00 37.83 33.48 2paw s LYS 1006CO 0.14 -0.35 0.78 -0.06 -0.36 0.00 0.00 175.35 175.50 2paw s PHE 1007N 1.22 3.59 -0.34 4.03 0.40 0.15 -1.18 117.98 125.85 2paw s PHE 1007Ca -0.00 1.36 -0.01 0.00 -0.60 0.00 0.00 56.93 57.68 2paw s PHE 1007Cb -0.16 -2.89 0.08 0.00 0.51 0.00 0.00 43.02 40.56 2paw s PHE 1007CO -0.10 0.05 0.07 1.21 0.70 0.00 0.00 175.22 177.14 2paw s ASN 1008N 0.87 4.95 0.00 1.36 2.47 -0.59 -4.77 114.94 119.23 2paw s ASN 1008Ca 0.41 -1.70 0.30 0.00 0.42 0.00 0.00 52.86 52.29 2paw s ASN 1008Cb -0.18 -1.72 1.51 0.00 -1.45 0.00 0.00 41.25 39.40 2paw s ASN 1008CO 0.20 -0.37 2.00 -1.22 -3.72 0.00 0.00 177.10 174.00