#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o9k h THR 645 N 0.00 0.64 -0.47 2.46 2.02 -2.05 -2.00 112.91 113.51 1o9k h THR 645 Ca 0.00 -0.05 0.08 0.00 0.77 0.00 0.00 66.41 67.21 1o9k h THR 645 Cb 0.00 0.50 -0.10 0.00 -1.74 0.00 0.00 68.15 66.81 1o9k h THR 645 CO 0.00 0.02 -0.42 0.77 0.37 0.00 0.00 175.52 176.27 1o9k h SER 646 N 0.13 -1.40 -0.11 4.18 4.64 -2.05 0.32 113.55 119.26 1o9k h SER 646 Ca 0.24 0.22 -0.08 0.00 -0.47 0.00 0.00 61.79 61.70 1o9k h SER 646 Cb 0.36 0.63 -0.01 0.00 -0.31 0.00 0.00 62.40 63.06 1o9k h SER 646 CO -0.39 -0.35 -0.18 0.25 -0.87 0.00 0.00 176.83 175.29 1o9k h LEU 647 N -0.28 0.50 -0.24 5.97 5.85 -1.87 -1.93 115.31 123.30 1o9k h LEU 647 Ca 0.16 -0.15 -0.18 0.00 0.84 0.00 0.00 57.88 58.55 1o9k h LEU 647 Cb 0.57 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.44 1o9k h LEU 647 CO -0.61 0.70 -0.87 0.77 -0.34 0.00 0.00 178.44 178.09 1o9k h SER 648 N 0.46 0.00 -0.43 1.25 4.64 -0.78 -2.15 113.55 116.53 1o9k h SER 648 Ca 0.08 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.30 1o9k h SER 648 Cb 0.58 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.66 1o9k h SER 648 CO 0.04 0.87 -0.11 0.25 -0.87 0.00 0.00 176.83 177.00 1o9k h LEU 649 N 0.00 0.85 0.38 5.97 7.12 -0.20 -1.23 115.31 128.20 1o9k h LEU 649 Ca -0.01 -0.37 -0.02 0.00 0.13 0.00 0.00 57.88 57.62 1o9k h LEU 649 Cb 1.55 -0.23 0.00 0.00 -0.53 0.00 0.00 40.66 41.45 1o9k h LEU 649 CO 0.11 1.02 -0.18 0.15 -0.13 0.00 0.00 178.44 179.41 1o9k h PHE 650 N 0.67 -0.47 -0.13 1.25 3.57 -1.36 -1.58 116.94 118.89 1o9k h PHE 650 Ca 0.11 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.60 1o9k h PHE 650 Cb 0.65 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.54 1o9k h PHE 650 CO 0.05 -0.21 0.08 1.88 -2.23 0.00 0.00 178.31 177.88 1o9k h TYR 651 N -0.65 0.14 -0.54 0.41 0.05 -1.39 0.99 116.97 115.98 1o9k h TYR 651 Ca -0.05 0.00 0.09 0.00 0.05 0.00 0.00 58.73 58.82 1o9k h TYR 651 Cb 0.47 -0.05 -0.10 0.00 1.01 0.00 0.00 36.73 38.06 1o9k h TYR 651 CO -0.02 0.09 -0.41 -0.22 -1.05 0.00 0.00 178.16 176.55 1o9k h LYS 652 N 0.16 -0.22 -0.40 4.88 3.64 -1.12 0.74 116.57 124.25 1o9k h LYS 652 Ca 0.05 0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.39 1o9k h LYS 652 Cb -0.00 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 1o9k h LYS 652 CO -0.03 -0.15 0.02 0.87 -2.27 0.00 0.00 179.45 177.89 1o9k h LYS 653 N -0.23 0.69 -0.65 1.90 1.57 -0.99 -2.70 116.57 116.16 1o9k h LYS 653 Ca 0.18 -0.21 0.11 0.00 -1.87 0.00 0.00 60.65 58.86 1o9k h LYS 653 Cb 0.56 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.77 1o9k h LYS 653 CO -0.66 0.77 0.43 0.28 -0.57 0.00 0.00 179.45 179.70 1o9k h VAL 654 N 0.53 0.87 -0.34 0.50 2.07 0.20 -1.86 116.25 118.23 1o9k h VAL 654 Ca 0.12 -0.14 -0.06 0.00 0.82 0.00 0.00 66.70 67.43 1o9k h VAL 654 Cb 0.44 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 1o9k h VAL 654 CO 0.02 0.08 -0.03 1.88 0.02 0.00 0.00 177.57 179.54 1o9k h TYR 655 N 0.42 0.68 0.22 1.57 0.05 -0.58 -0.97 116.97 118.36 1o9k h TYR 655 Ca 0.30 -0.13 -0.01 0.00 0.05 0.00 0.00 58.73 58.95 1o9k h TYR 655 Cb 0.63 -0.17 0.00 0.00 1.01 0.00 0.00 36.73 38.19 1o9k h TYR 655 CO -0.00 0.75 -0.12 -0.09 -1.05 0.00 0.00 178.16 177.65 1o9k h ARG 656 N 0.41 -0.30 0.07 4.88 2.43 -1.12 0.18 114.38 120.93 1o9k h ARG 656 Ca 0.09 0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.31 1o9k h ARG 656 Cb 0.49 0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 30.07 1o9k h ARG 656 CO 0.02 -0.20 -0.28 1.25 -1.51 0.00 0.00 179.97 179.25 1o9k h LEU 657 N -0.31 -0.82 -0.33 3.80 6.46 -1.38 -1.03 115.31 121.69 1o9k h LEU 657 Ca -0.03 0.10 0.03 0.00 -0.12 0.00 0.00 57.88 57.87 1o9k h LEU 657 Cb 0.25 0.32 -0.03 0.00 -0.73 0.00 0.00 40.66 40.47 1o9k h LEU 657 CO 0.04 -0.36 0.13 0.00 -0.62 0.00 0.00 178.44 177.63 1o9k h ALA 658 N 0.27 0.39 -0.12 1.25 0.00 -0.88 -2.19 119.26 117.98 1o9k h ALA 658 Ca 0.04 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1o9k h ALA 658 Cb 0.52 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1o9k h ALA 658 CO -0.20 -0.26 0.07 -0.92 0.00 0.00 0.00 179.25 177.95 1o9k h TYR 659 N 0.29 0.15 -0.99 0.00 3.20 -0.43 -1.22 116.97 117.98 1o9k h TYR 659 Ca 0.15 -0.00 0.12 0.00 3.14 0.00 0.00 58.73 62.14 1o9k h TYR 659 Cb 0.10 -0.05 -0.08 0.00 1.54 0.00 0.00 36.73 38.23 1o9k h TYR 659 CO -0.12 0.14 0.63 -0.07 -1.64 0.00 0.00 178.16 177.09 1o9k h LEU 660 N 0.12 0.90 -0.33 2.82 3.38 -0.85 0.46 115.31 121.80 1o9k h LEU 660 Ca 0.04 0.05 -0.20 0.00 0.09 0.00 0.00 57.88 57.86 1o9k h LEU 660 Cb 0.03 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 1o9k h LEU 660 CO -0.01 0.48 -0.76 0.03 0.09 0.00 0.00 178.44 178.27 1o9k h ARG 661 N 0.96 0.50 -0.39 1.13 3.08 -1.19 -1.87 114.38 116.60 1o9k h ARG 661 Ca 0.49 -0.41 -0.07 0.00 0.07 0.00 0.00 59.98 60.06 1o9k h ARG 661 Cb 0.51 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.64 1o9k h ARG 661 CO -0.26 1.05 -0.03 1.25 -1.07 0.00 0.00 179.97 180.90 1o9k h LEU 662 N 0.33 0.70 -1.19 3.04 6.46 0.10 -2.08 115.31 122.67 1o9k h LEU 662 Ca -0.04 -0.33 -0.07 0.00 -0.12 0.00 0.00 57.88 57.32 1o9k h LEU 662 Cb 1.35 -0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 41.07 1o9k h LEU 662 CO 0.14 0.86 -0.19 -1.13 -0.62 0.00 0.00 178.44 177.50 1o9k h ASN 663 N 0.52 0.32 -0.38 1.25 -0.73 -0.15 0.23 115.58 116.64 1o9k h ASN 663 Ca 0.11 -0.09 -0.10 0.00 1.87 0.00 0.00 56.30 58.09 1o9k h ASN 663 Cb 0.52 -0.09 -0.01 0.00 0.27 0.00 0.00 38.32 39.02 1o9k h ASN 663 CO 0.03 0.53 -0.13 0.74 -0.37 0.00 0.00 177.43 178.22 1o9k h THR 664 N 0.30 1.28 -0.07 -3.57 2.02 -0.96 -2.23 112.91 109.69 1o9k h THR 664 Ca 0.05 -1.24 -0.23 0.00 0.77 0.00 0.00 66.41 65.76 1o9k h THR 664 Cb 0.51 1.28 0.01 0.00 -1.74 0.00 0.00 68.15 68.21 1o9k h THR 664 CO 0.03 0.41 -0.88 -0.07 0.37 0.00 0.00 175.52 175.38 1o9k h LEU 665 N 0.57 0.79 -1.13 2.58 3.38 -1.09 -3.24 115.31 117.17 1o9k h LEU 665 Ca 0.09 -0.57 -0.09 0.00 0.09 0.00 0.00 57.88 57.40 1o9k h LEU 665 Cb 0.67 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1o9k h LEU 665 CO 0.05 1.36 -0.42 0.00 0.09 0.00 0.00 178.44 179.52 1o9k h GLU 667 N 0.03 0.00 0.00 0.00 4.81 -1.45 0.24 114.58 118.21 1o9k h GLU 667 Ca -0.00 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.12 1o9k h GLU 667 Cb 0.75 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.11 1o9k h GLU 667 CO 0.06 0.12 -2.04 0.54 -0.73 0.00 0.00 179.01 176.95 1o9k n ARG 668 N -3.17 0.71 -0.09 1.92 1.74 -1.09 -4.35 116.66 112.33 1o9k n ARG 668 Ca 0.02 -0.13 -0.10 0.00 -0.77 0.00 0.00 57.85 56.87 1o9k n ARG 668 Cb 0.49 -1.48 -0.11 0.00 -1.02 0.00 0.00 32.46 30.34 1o9k n ARG 668 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1o9k n LEU 669 N -2.36 1.44 -1.66 0.55 4.32 -0.23 -4.72 117.00 114.34 1o9k n LEU 669 Ca -0.12 -0.05 -0.16 0.00 -0.02 0.00 0.00 56.01 55.65 1o9k n LEU 669 Cb 0.72 -0.14 0.07 0.00 -1.62 0.00 0.00 43.42 42.45 1o9k n LEU 669 CO 0.42 0.60 0.27 0.18 -1.22 0.00 0.00 177.39 177.64 1o9k n LEU 670 N -2.81 4.43 0.24 2.23 4.77 0.07 -4.76 117.00 121.17 1o9k n LEU 670 Ca -0.30 -4.51 0.07 0.00 -0.03 0.00 0.00 56.01 51.25 1o9k n LEU 670 Cb 0.94 -0.41 0.57 0.00 -2.33 0.00 0.00 43.42 42.18 1o9k n LEU 670 CO 0.26 1.90 0.94 0.77 -1.33 0.00 0.00 177.39 179.93 1o9k h SER 671 N 1.85 0.00 -0.00 -1.43 4.64 -1.75 -1.94 113.55 114.92 1o9k h SER 671 Ca 0.28 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.55 1o9k h SER 671 Cb 1.39 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.47 1o9k h SER 671 CO 0.58 0.15 -0.14 -0.33 -0.87 0.00 0.00 176.83 176.23 1o9k h GLU 672 N 0.00 0.29 -2.21 4.77 5.08 -1.92 -3.29 114.58 117.30 1o9k h GLU 672 Ca -0.00 -0.07 -0.60 0.00 -1.00 0.00 0.00 59.36 57.69 1o9k h GLU 672 Cb 0.28 -0.04 -0.42 0.00 0.50 0.00 0.00 28.75 29.08 1o9k h GLU 672 CO 0.02 0.44 -0.64 0.72 -1.00 0.00 0.00 179.01 178.55 1o9k n HIS 673 N -4.25 3.25 0.26 4.33 8.25 -0.73 -4.94 115.22 121.38 1o9k n HIS 673 Ca -0.00 -4.11 0.14 0.00 -0.26 0.00 0.00 57.72 53.49 1o9k n HIS 673 Cb 0.29 -0.54 0.61 0.00 1.12 0.00 0.00 29.99 31.47 1o9k n HIS 673 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1o9k h PRO 674 N 4.21 0.00 0.00 -0.41 0.11 -1.63 -0.85 132.00 133.43 1o9k h PRO 674 Ca 0.19 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.22 1o9k h PRO 674 Cb 0.69 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.78 1o9k h PRO 674 CO 0.80 0.00 -0.37 1.05 -0.21 0.00 0.00 178.00 179.26 1o9k h GLU 675 N 0.00 0.00 -0.24 1.05 9.09 -1.92 -3.33 114.58 119.24 1o9k h GLU 675 Ca 0.07 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.46 1o9k h GLU 675 Cb 1.16 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.25 1o9k h GLU 675 CO -0.00 0.37 0.09 -0.07 0.05 0.00 0.00 179.01 179.46 1o9k h LEU 676 N 0.00 0.29 -0.53 3.06 3.38 -1.49 -3.22 115.31 116.80 1o9k h LEU 676 Ca -0.00 -0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.02 1o9k h LEU 676 Cb 0.94 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.55 1o9k h LEU 676 CO 0.05 0.27 0.20 -0.08 0.09 0.00 0.00 178.44 178.97 1o9k h GLU 677 N 0.33 0.38 -0.15 1.13 4.81 -1.79 -1.27 114.58 118.01 1o9k h GLU 677 Ca 0.08 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.20 1o9k h GLU 677 Cb 0.07 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 1o9k h GLU 677 CO -0.01 0.25 -0.32 1.25 -0.73 0.00 0.00 179.01 179.46 1o9k h HIS 678 N 0.39 0.33 -0.12 0.92 2.76 -1.83 0.57 115.15 118.18 1o9k h HIS 678 Ca 0.26 -0.07 -0.11 0.00 -2.20 0.00 0.00 60.37 58.24 1o9k h HIS 678 Cb 0.27 -0.08 0.00 0.00 1.55 0.00 0.00 27.41 29.16 1o9k h HIS 678 CO -0.16 0.58 -0.35 0.82 -1.30 0.00 0.00 177.93 177.52 1o9k h ILE 679 N 0.26 1.38 -0.70 6.26 2.04 -1.56 -2.26 117.51 122.93 1o9k h ILE 679 Ca 0.03 -1.66 0.00 0.00 1.00 0.00 0.00 64.86 64.23 1o9k h ILE 679 Cb 0.69 2.12 -0.03 0.00 -0.74 0.00 0.00 36.82 38.86 1o9k h ILE 679 CO 0.05 0.49 0.44 0.40 0.00 0.00 0.00 178.15 179.53 1o9k h ILE 680 N 0.03 1.19 -0.32 -0.67 2.04 -1.12 -1.55 117.51 117.12 1o9k h ILE 680 Ca -0.01 -0.39 -0.03 0.00 1.00 0.00 0.00 64.86 65.42 1o9k h ILE 680 Cb 0.97 0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 37.24 1o9k h ILE 680 CO 0.08 0.19 0.05 -0.25 0.00 0.00 0.00 178.15 178.22 1o9k h TRP 681 N 0.95 0.47 -0.18 1.37 2.91 -0.89 0.17 115.95 120.74 1o9k h TRP 681 Ca 0.25 -0.03 -0.01 0.00 1.13 0.00 0.00 58.89 60.23 1o9k h TRP 681 Cb -0.06 -0.14 -0.01 0.00 -0.51 0.00 0.00 29.16 28.43 1o9k h TRP 681 CO -0.02 0.43 0.06 1.15 -1.03 0.00 0.00 178.44 179.03 1o9k h THR 682 N 0.46 1.19 -0.70 2.65 2.02 -0.72 -0.27 112.91 117.53 1o9k h THR 682 Ca 0.11 -0.58 -0.04 0.00 0.77 0.00 0.00 66.41 66.67 1o9k h THR 682 Cb 0.22 1.22 -0.03 0.00 -1.74 0.00 0.00 68.15 67.82 1o9k h THR 682 CO 0.00 0.18 0.28 0.25 0.37 0.00 0.00 175.52 176.60 1o9k h LEU 683 N 0.12 0.96 -0.09 2.58 6.46 -0.81 -1.64 115.31 122.89 1o9k h LEU 683 Ca 0.06 -0.17 0.02 0.00 -0.12 0.00 0.00 57.88 57.67 1o9k h LEU 683 Cb 0.23 -0.25 -0.02 0.00 -0.73 0.00 0.00 40.66 39.89 1o9k h LEU 683 CO -0.00 0.87 -0.03 0.15 -0.62 0.00 0.00 178.44 178.81 1o9k h PHE 684 N 1.00 -0.07 -0.29 1.25 3.04 -0.48 -2.23 116.94 119.15 1o9k h PHE 684 Ca 0.23 0.01 -0.14 0.00 3.98 0.00 0.00 57.97 62.05 1o9k h PHE 684 Cb 0.21 0.04 -0.01 0.00 2.56 0.00 0.00 35.95 38.75 1o9k h PHE 684 CO 0.01 -0.05 -0.38 0.37 -2.02 0.00 0.00 178.31 176.24 1o9k h GLN 685 N -0.01 0.68 -0.23 1.11 -0.00 -0.99 -2.32 115.11 113.35 1o9k h GLN 685 Ca 0.05 -0.34 0.00 0.00 -0.00 0.00 0.00 58.65 58.36 1o9k h GLN 685 Cb 0.08 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 27.56 1o9k h GLN 685 CO -0.10 0.95 0.15 1.25 0.00 0.00 0.00 178.83 181.08 1o9k h HIS 686 N 0.56 0.30 0.08 3.99 2.76 -1.08 -1.29 115.15 120.47 1o9k h HIS 686 Ca 0.05 0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.22 1o9k h HIS 686 Cb 0.91 -0.10 0.00 0.00 1.55 0.00 0.00 27.41 29.77 1o9k h HIS 686 CO 0.04 0.19 -0.04 1.15 -1.30 0.00 0.00 177.93 177.98 1o9k h THR 687 N 0.32 0.85 -0.47 6.26 2.02 -0.97 0.18 112.91 121.10 1o9k h THR 687 Ca 0.09 -1.42 0.12 0.00 0.77 0.00 0.00 66.41 65.97 1o9k h THR 687 Cb -0.02 1.54 -0.02 0.00 -1.74 0.00 0.00 68.15 67.90 1o9k h THR 687 CO -0.02 0.26 0.33 -0.07 0.37 0.00 0.00 175.52 176.40 1o9k h LEU 688 N -0.95 0.10 0.04 2.58 3.38 -1.24 0.24 115.31 119.47 1o9k h LEU 688 Ca -0.01 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.63 1o9k h LEU 688 Cb 0.51 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.20 1o9k h LEU 688 CO 0.02 0.06 -1.96 1.67 0.09 0.00 0.00 178.44 178.31 1o9k n GLN 689 N -4.43 0.68 -0.00 1.13 7.27 -0.51 -4.30 117.38 117.23 1o9k n GLN 689 Ca 0.08 0.23 0.01 0.00 0.07 0.00 0.00 57.00 57.39 1o9k n GLN 689 Cb 0.47 -1.71 -0.02 0.00 2.41 0.00 0.00 30.24 31.40 1o9k n GLN 689 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1o9k n ASN 690 N -3.17 4.55 -2.21 1.69 3.02 0.64 -4.66 115.26 115.12 1o9k n ASN 690 Ca -0.26 0.00 -0.27 0.00 -0.03 0.00 0.00 54.58 54.02 1o9k n ASN 690 Cb 1.06 1.00 0.02 0.00 -0.61 0.00 0.00 39.78 41.25 1o9k n ASN 690 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1o9k n GLU 691 N -1.65 3.42 0.30 3.52 -0.58 0.83 -4.84 120.64 121.64 1o9k n GLU 691 Ca -0.01 -4.12 0.19 0.00 -0.42 0.00 0.00 57.16 52.80 1o9k n GLU 691 Cb 0.14 -2.27 0.96 0.00 -0.57 0.00 0.00 31.44 29.70 1o9k n GLU 691 CO 0.00 0.00 0.00 0.10 -0.48 0.00 0.00 177.13 176.75 1o9k h TYR 692 N 2.29 0.00 0.00 -0.32 -0.00 -1.68 -0.76 116.97 116.50 1o9k h TYR 692 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.12 1o9k h TYR 692 Cb 1.23 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.96 1o9k h TYR 692 CO 0.93 0.00 0.00 0.93 -0.00 0.00 0.00 178.16 180.02 1o9k h GLU 693 N 0.00 0.00 0.00 0.10 4.39 -1.89 -1.97 114.58 115.21 1o9k h GLU 693 Ca 0.02 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.67 1o9k h GLU 693 Cb 0.40 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.04 1o9k h GLU 693 CO -0.00 0.00 -0.25 1.25 -1.16 0.00 0.00 179.01 178.85 1o9k h LEU 694 N 0.00 0.00 -0.11 1.33 5.85 -1.50 -2.57 115.31 118.31 1o9k h LEU 694 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1o9k h LEU 694 Cb 0.30 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.33 1o9k h LEU 694 CO 0.00 0.25 0.00 0.24 -0.34 0.00 0.00 178.44 178.59 1o9k h MET 695 N 0.00 0.00 -6.01 1.25 2.86 -1.54 -3.44 114.93 108.05 1o9k h MET 695 Ca -0.00 0.00 -0.67 0.00 -2.06 0.00 0.00 59.70 56.97 1o9k h MET 695 Cb 0.56 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.21 1o9k h MET 695 CO 0.03 0.00 1.38 -2.13 1.06 0.00 0.00 176.91 177.25 1o9k n ARG 696 N -2.80 1.21 -1.94 1.72 0.63 -0.97 0.33 116.66 114.84 1o9k n ARG 696 Ca 0.04 0.35 -0.16 0.00 -0.92 0.00 0.00 57.85 57.16 1o9k n ARG 696 Cb 0.48 -2.51 -0.03 0.00 0.45 0.00 0.00 32.46 30.85 1o9k n ARG 696 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1o9k n ASP 697 N 9.53 -4.89 -4.27 6.15 8.00 -1.26 -4.99 116.55 124.82 1o9k n ASP 697 Ca 0.39 0.17 -0.24 0.00 0.71 0.00 0.00 54.79 55.81 1o9k n ASP 697 Cb 0.24 -3.92 -0.09 0.00 -0.02 0.00 0.00 41.12 37.33 1o9k n ASP 697 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1o9k s ARG 698 N -4.18 1.83 -0.06 -1.24 0.52 0.15 -4.76 118.95 111.22 1o9k s ARG 698 Ca 0.00 -2.09 0.01 0.00 -0.52 0.00 0.00 55.73 53.13 1o9k s ARG 698 Cb 0.00 -0.73 -0.03 0.00 0.52 0.00 0.00 34.95 34.71 1o9k s ARG 698 CO 0.00 -0.37 -0.06 -1.58 0.02 0.00 0.00 175.30 173.31 1o9k s HIS 699 N -3.24 2.95 0.29 -0.53 5.65 -1.26 -4.95 115.29 114.20 1o9k s HIS 699 Ca 0.27 0.03 0.05 0.00 0.25 0.00 0.00 55.06 55.66 1o9k s HIS 699 Cb 0.05 -1.70 0.71 0.00 -1.18 0.00 0.00 32.58 30.46 1o9k s HIS 699 CO 0.14 0.35 1.75 1.25 -0.65 0.00 0.00 174.74 177.59 1o9k h LEU 700 N 5.10 0.64 -1.20 8.88 6.46 -2.00 -1.07 115.31 132.12 1o9k h LEU 700 Ca -0.49 0.11 -0.08 0.00 -0.12 0.00 0.00 57.88 57.30 1o9k h LEU 700 Cb 1.17 0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 41.10 1o9k h LEU 700 CO 0.53 0.19 -0.39 0.44 -0.62 0.00 0.00 178.44 178.59 1o9k h ASP 701 N 0.65 0.00 -0.59 1.25 3.32 -1.97 -2.06 116.42 117.01 1o9k h ASP 701 Ca 0.56 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.52 1o9k h ASP 701 Cb 0.92 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.45 1o9k h ASP 701 CO -0.42 0.39 0.03 1.56 -1.72 0.00 0.00 179.24 179.08 1o9k h GLN 702 N 0.00 1.04 -0.21 3.56 4.20 -1.49 -1.26 115.11 120.96 1o9k h GLN 702 Ca -0.00 -0.31 -0.14 0.00 0.06 0.00 0.00 58.65 58.26 1o9k h GLN 702 Cb 0.72 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.38 1o9k h GLN 702 CO 0.05 1.01 -0.44 0.82 -0.67 0.00 0.00 178.83 179.59 1o9k h ILE 703 N 0.96 1.31 0.69 2.54 5.03 -1.43 -2.48 117.51 124.12 1o9k h ILE 703 Ca 0.18 -1.63 -0.03 0.00 -0.12 0.00 0.00 64.86 63.25 1o9k h ILE 703 Cb 0.52 1.63 0.01 0.00 -3.03 0.00 0.00 36.82 35.94 1o9k h ILE 703 CO 0.03 0.51 -0.33 -0.03 -0.68 0.00 0.00 178.15 177.64 1o9k h MET 704 N 0.42 -0.89 -0.08 2.37 4.05 -1.02 -1.15 114.93 118.64 1o9k h MET 704 Ca 0.03 0.06 -0.04 0.00 -0.28 0.00 0.00 59.70 59.47 1o9k h MET 704 Cb 0.95 0.20 -0.01 0.00 -0.80 0.00 0.00 31.60 31.94 1o9k h MET 704 CO 0.08 -0.57 -0.13 0.52 0.23 0.00 0.00 176.91 177.04 1o9k h MET 705 N -1.01 0.12 0.00 0.39 2.86 -1.31 -1.36 114.93 114.62 1o9k h MET 705 Ca -0.09 -0.02 -0.09 0.00 -2.06 0.00 0.00 59.70 57.43 1o9k h MET 705 Cb 0.73 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.36 1o9k h MET 705 CO 0.15 0.26 -0.43 0.00 1.06 0.00 0.00 176.91 177.96 1o9k h SER 707 N 0.00 0.84 0.47 0.00 0.02 -0.10 -2.29 113.55 112.49 1o9k h SER 707 Ca -0.00 -0.69 -0.02 0.00 -0.84 0.00 0.00 61.79 60.23 1o9k h SER 707 Cb 0.84 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 63.12 1o9k h SER 707 CO 0.06 1.50 -0.24 0.24 -1.14 0.00 0.00 176.83 177.24 1o9k h MET 708 N 0.34 -0.62 -0.73 3.45 2.86 -1.33 -1.84 114.93 117.05 1o9k h MET 708 Ca -0.13 0.04 0.12 0.00 -2.06 0.00 0.00 59.70 57.67 1o9k h MET 708 Cb 1.72 0.14 -0.05 0.00 0.06 0.00 0.00 31.60 33.48 1o9k h MET 708 CO 0.20 -0.42 0.49 -0.92 1.06 0.00 0.00 176.91 177.33 1o9k h TYR 709 N -0.65 0.56 0.25 -0.22 3.20 -1.46 -2.36 116.97 116.29 1o9k h TYR 709 Ca -0.06 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.81 1o9k h TYR 709 Cb 0.51 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.60 1o9k h TYR 709 CO -0.06 0.24 -0.12 0.78 -1.64 0.00 0.00 178.16 177.36 1o9k h GLY 710 N 0.50 -0.34 0.45 1.82 0.00 -0.90 -2.98 103.07 101.62 1o9k h GLY 710 Ca 0.35 0.13 0.14 0.00 0.00 0.00 0.00 47.33 47.95 1o9k h GLY 710 CO -0.12 -0.13 0.60 -2.22 0.00 0.00 0.00 176.54 174.68 1o9k h ILE 711 N -0.54 0.85 -0.99 2.60 5.03 -1.35 0.46 117.51 123.57 1o9k h ILE 711 Ca -0.03 -0.28 0.08 0.00 -0.12 0.00 0.00 64.86 64.50 1o9k h ILE 711 Cb 0.25 -0.04 -0.07 0.00 -3.03 0.00 0.00 36.82 33.93 1o9k h ILE 711 CO 0.06 0.15 0.63 0.00 -0.68 0.00 0.00 178.15 178.31 1o9k h LYS 713 N 1.12 0.02 0.00 0.00 1.79 0.08 0.28 116.57 119.86 1o9k h LYS 713 Ca 0.44 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.91 1o9k h LYS 713 Cb 0.23 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.87 1o9k h LYS 713 CO -0.19 0.01 0.00 -0.39 -1.08 0.00 0.00 179.45 177.80 1o9k h VAL 714 N 0.02 0.00 -0.70 0.50 -1.51 -1.13 -2.26 116.25 111.18 1o9k h VAL 714 Ca 0.04 -0.56 0.00 0.00 -1.23 0.00 0.00 66.70 64.94 1o9k h VAL 714 Cb 0.05 1.53 0.00 0.00 -2.13 0.00 0.00 31.29 30.74 1o9k h VAL 714 CO -0.07 0.00 0.00 0.29 -1.23 0.00 0.00 177.57 176.56 1o9k n LYS 715 N -2.95 3.24 -1.13 5.19 4.76 -0.59 -4.83 118.16 121.85 1o9k n LYS 715 Ca 0.02 -2.77 -0.09 0.00 -2.87 0.00 0.00 58.31 52.60 1o9k n LYS 715 Cb 0.34 -1.74 -0.04 0.00 -1.84 0.00 0.00 35.03 31.75 1o9k n LYS 715 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1o9k n ASN 716 N 1.41 -4.25 -4.67 4.39 4.13 -0.34 -4.93 115.26 111.00 1o9k n ASN 716 Ca 0.25 0.21 -0.43 0.00 1.68 0.00 0.00 54.58 56.30 1o9k n ASN 716 Cb 0.76 -3.28 -0.02 0.00 -1.54 0.00 0.00 39.78 35.69 1o9k n ASN 716 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1o9k s ILE 717 N -1.61 4.31 -0.65 2.41 -1.09 -0.06 -4.95 121.20 119.56 1o9k s ILE 717 Ca 0.00 1.61 -0.27 0.00 -2.23 0.00 0.00 60.65 59.76 1o9k s ILE 717 Cb 0.00 -4.04 0.00 0.00 -1.58 0.00 0.00 42.46 36.84 1o9k s ILE 717 CO 0.00 -0.07 1.60 -0.62 -1.23 0.00 0.00 174.94 174.63 1o9k s ASP 718 N 1.65 5.68 -0.22 3.58 2.15 -1.26 -4.41 116.67 123.84 1o9k s ASP 718 Ca 0.54 0.05 -0.03 0.00 0.43 0.00 0.00 52.55 53.54 1o9k s ASP 718 Cb -0.23 -2.54 0.07 0.00 -0.30 0.00 0.00 42.92 39.92 1o9k s ASP 718 CO 0.18 -2.11 0.07 -0.22 -0.17 0.00 0.00 175.17 172.91 1o9k s LEU 719 N 7.55 1.06 0.34 -1.34 2.96 -1.26 -5.13 118.68 122.86 1o9k s LEU 719 Ca 0.54 -0.98 -0.24 0.00 -0.22 0.00 0.00 54.13 53.24 1o9k s LEU 719 Cb -0.11 -0.52 -0.10 0.00 0.50 0.00 0.00 46.19 45.96 1o9k s LEU 719 CO 0.19 -0.35 0.91 -0.54 -1.32 0.00 0.00 176.35 175.24 1o9k s LYS 720 N 1.92 4.44 0.46 1.98 1.02 -1.26 -4.92 119.74 123.37 1o9k s LYS 720 Ca 0.03 1.20 0.13 0.00 0.02 0.00 0.00 55.97 57.35 1o9k s LYS 720 Cb -0.17 -2.65 1.03 0.00 -0.52 0.00 0.00 37.83 35.53 1o9k s LYS 720 CO -0.15 0.22 2.04 0.35 -0.92 0.00 0.00 175.35 176.88 1o9k h PHE 721 N 2.87 0.12 0.00 3.18 3.04 -1.99 -0.41 116.94 123.74 1o9k h PHE 721 Ca -0.47 -0.00 -0.06 0.00 3.98 0.00 0.00 57.97 61.41 1o9k h PHE 721 Cb 1.19 -0.04 -0.01 0.00 2.56 0.00 0.00 35.95 39.65 1o9k h PHE 721 CO 0.62 0.18 -0.29 -0.22 -2.02 0.00 0.00 178.31 176.58 1o9k h LYS 722 N 0.12 0.00 0.03 1.11 3.64 -2.00 0.19 116.57 119.67 1o9k h LYS 722 Ca 0.03 0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 59.16 1o9k h LYS 722 Cb 0.17 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.00 1o9k h LYS 722 CO 0.01 0.29 -1.03 0.82 -2.27 0.00 0.00 179.45 177.27 1o9k h ILE 723 N 0.00 1.40 -0.34 2.00 1.08 -1.48 -2.98 117.51 117.19 1o9k h ILE 723 Ca -0.00 -2.55 -0.10 0.00 -0.39 0.00 0.00 64.86 61.83 1o9k h ILE 723 Cb 0.55 2.53 -0.01 0.00 -3.07 0.00 0.00 36.82 36.82 1o9k h ILE 723 CO 0.04 0.76 -0.16 0.40 -0.69 0.00 0.00 178.15 178.50 1o9k h ILE 724 N 0.21 1.29 -0.01 -0.67 2.04 -0.78 -3.00 117.51 116.59 1o9k h ILE 724 Ca -0.10 -1.27 0.01 0.00 1.00 0.00 0.00 64.86 64.50 1o9k h ILE 724 Cb 1.68 1.39 -0.01 0.00 -0.74 0.00 0.00 36.82 39.14 1o9k h ILE 724 CO 0.18 0.42 -0.06 0.58 0.00 0.00 0.00 178.15 179.27 1o9k h VAL 725 N 0.49 0.84 -0.99 1.67 2.07 -1.04 -1.65 116.25 117.64 1o9k h VAL 725 Ca 0.08 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.72 1o9k h VAL 725 Cb 0.70 0.84 -0.08 0.00 -1.52 0.00 0.00 31.29 31.23 1o9k h VAL 725 CO 0.05 0.00 0.62 0.74 0.02 0.00 0.00 177.57 179.00 1o9k h THR 726 N -0.10 0.90 0.25 2.57 2.02 -1.53 -1.20 112.91 115.83 1o9k h THR 726 Ca 0.03 -0.32 -0.01 0.00 0.77 0.00 0.00 66.41 66.87 1o9k h THR 726 Cb 0.14 -0.13 0.00 0.00 -1.74 0.00 0.00 68.15 66.42 1o9k h THR 726 CO -0.07 0.17 -0.12 0.00 0.37 0.00 0.00 175.52 175.87 1o9k h ALA 727 N 1.55 -0.34 -0.97 6.16 0.00 -1.35 -3.14 119.26 121.18 1o9k h ALA 727 Ca 0.50 -0.20 0.27 0.00 0.00 0.00 0.00 54.91 55.47 1o9k h ALA 727 Cb 0.54 0.13 -0.18 0.00 0.00 0.00 0.00 17.79 18.28 1o9k h ALA 727 CO -0.26 -0.44 0.05 -0.92 0.00 0.00 0.00 179.25 177.67 1o9k h TYR 728 N -0.84 -0.01 -1.03 0.00 3.20 -0.92 0.60 116.97 117.99 1o9k h TYR 728 Ca -0.03 0.07 0.29 0.00 3.14 0.00 0.00 58.73 62.20 1o9k h TYR 728 Cb 0.51 0.16 -0.04 0.00 1.54 0.00 0.00 36.73 38.90 1o9k h TYR 728 CO 0.05 -0.41 0.73 0.87 -1.64 0.00 0.00 178.16 177.76 1o9k h LYS 729 N 0.03 0.03 0.00 1.82 1.57 -1.18 0.12 116.57 118.96 1o9k h LYS 729 Ca 0.59 -0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 59.31 1o9k h LYS 729 Cb 1.21 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.51 1o9k h LYS 729 CO -0.89 0.02 -0.28 -0.44 -0.57 0.00 0.00 179.45 177.30 1o9k h ASP 730 N 0.03 0.00 -3.69 0.86 3.32 0.13 -3.45 116.42 113.63 1o9k h ASP 730 Ca 0.49 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 57.00 1o9k h ASP 730 Cb 1.92 0.00 0.10 0.00 0.22 0.00 0.00 39.33 41.57 1o9k h ASP 730 CO -0.03 0.28 0.77 0.18 -1.72 0.00 0.00 179.24 178.72 1o9k n LEU 731 N -3.59 4.53 0.32 1.55 4.77 0.41 -4.87 117.00 120.12 1o9k n LEU 731 Ca -0.01 1.21 0.21 0.00 -0.03 0.00 0.00 56.01 57.39 1o9k n LEU 731 Cb 0.41 -1.60 1.12 0.00 -2.33 0.00 0.00 43.42 41.02 1o9k n LEU 731 CO 0.35 0.08 1.14 1.55 -1.33 0.00 0.00 177.39 179.18 1o9k h PRO 732 N 3.36 0.00 -0.01 3.23 0.13 -1.88 -2.35 132.00 134.48 1o9k h PRO 732 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1o9k h PRO 732 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1o9k h PRO 732 CO 0.68 0.00 -0.51 -2.39 -0.23 0.00 0.00 178.00 175.54 1o9k n HIS 733 N -3.00 0.00 -1.67 1.56 1.44 -1.26 -5.01 115.22 107.28 1o9k n HIS 733 Ca -0.02 0.00 -0.46 0.00 -2.01 0.00 0.00 57.72 55.22 1o9k n HIS 733 Cb 0.09 0.00 -0.04 0.00 0.12 0.00 0.00 29.99 30.16 1o9k n HIS 733 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1o9k n ALA 734 N -0.53 1.25 -3.42 1.59 0.00 -0.89 -5.02 120.51 113.49 1o9k n ALA 734 Ca 0.06 0.45 -0.31 0.00 0.00 0.00 0.00 53.44 53.63 1o9k n ALA 734 Cb 0.33 -2.34 -0.17 0.00 0.00 0.00 0.00 19.45 17.28 1o9k n ALA 734 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1o9k s VAL 735 N 0.94 1.93 0.27 0.00 1.01 -1.26 -5.01 120.40 118.28 1o9k s VAL 735 Ca 0.79 -0.93 -0.02 0.00 0.00 0.00 0.00 61.98 61.82 1o9k s VAL 735 Cb -0.69 -1.69 0.29 0.00 0.00 0.00 0.00 36.38 34.29 1o9k s VAL 735 CO 0.38 0.53 1.64 1.56 0.00 0.00 0.00 175.10 179.22 1o9k h GLN 736 N 6.99 0.17 -1.23 2.72 4.20 -1.97 -0.50 115.11 125.48 1o9k h GLN 736 Ca -0.25 -0.01 0.36 0.00 0.06 0.00 0.00 58.65 58.80 1o9k h GLN 736 Cb 1.21 -0.04 -0.05 0.00 0.30 0.00 0.00 27.48 28.91 1o9k h GLN 736 CO 0.50 0.11 0.92 1.49 -0.67 0.00 0.00 178.83 181.18 1o9k h GLU 737 N 0.17 0.00 0.00 1.46 4.81 -1.95 -1.39 114.58 117.68 1o9k h GLU 737 Ca 0.48 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.70 1o9k h GLU 737 Cb 0.91 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.29 1o9k h GLU 737 CO -0.65 0.00 -0.04 1.15 -0.73 0.00 0.00 179.01 178.74 1o9k h THR 738 N 0.00 0.72 0.00 0.32 2.02 -1.36 -1.19 112.91 113.41 1o9k h THR 738 Ca 0.58 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 67.60 1o9k h THR 738 Cb 2.42 1.09 0.00 0.00 -1.74 0.00 0.00 68.15 69.92 1o9k h THR 738 CO -0.01 0.04 -0.44 2.22 0.37 0.00 0.00 175.52 177.70 1o9k n PHE 739 N -4.04 0.00 0.01 3.16 1.16 -0.55 -4.63 117.46 112.56 1o9k n PHE 739 Ca -0.03 0.00 -0.06 0.00 -1.87 0.00 0.00 57.45 55.49 1o9k n PHE 739 Cb 0.13 -0.01 -0.12 0.00 -1.61 0.00 0.00 39.48 37.87 1o9k n PHE 739 CO 0.00 0.00 0.00 0.87 -1.87 0.00 0.00 176.76 175.76 1o9k h LYS 740 N 0.00 0.00 -2.98 3.97 1.57 -1.28 0.26 116.57 118.11 1o9k h LYS 740 Ca 0.00 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 58.18 1o9k h LYS 740 Cb 0.20 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 32.11 1o9k h LYS 740 CO 0.00 0.52 -0.76 0.50 -0.57 0.00 0.00 179.45 179.14 1o9k s ARG 741 N -2.71 1.05 0.06 3.15 3.52 -0.47 -3.25 118.95 120.31 1o9k s ARG 741 Ca -0.03 -1.73 0.09 0.00 -0.13 0.00 0.00 55.73 53.93 1o9k s ARG 741 Cb 0.08 -2.07 -0.03 0.00 -1.56 0.00 0.00 34.95 31.38 1o9k s ARG 741 CO 0.82 -1.15 -0.24 0.08 -0.81 0.00 0.00 175.30 174.00 1o9k s VAL 742 N 0.68 1.94 0.30 7.11 1.01 -0.21 -4.71 120.40 126.52 1o9k s VAL 742 Ca 0.17 -1.39 -0.29 0.00 0.00 0.00 0.00 61.98 60.47 1o9k s VAL 742 Cb -0.23 -1.68 -0.10 0.00 0.00 0.00 0.00 36.38 34.36 1o9k s VAL 742 CO -0.03 0.22 1.28 -0.22 0.00 0.00 0.00 175.10 176.35 1o9k s LEU 743 N -1.41 4.45 0.01 3.92 0.20 -1.26 -1.81 118.68 122.78 1o9k s LEU 743 Ca 0.10 2.57 -0.03 0.00 0.69 0.00 0.00 54.13 57.46 1o9k s LEU 743 Cb -0.10 -3.64 -0.01 0.00 -0.43 0.00 0.00 46.19 42.01 1o9k s LEU 743 CO 0.03 -0.47 -0.07 -0.38 -0.29 0.00 0.00 176.35 175.17 1o9k n ILE 744 N 1.20 0.88 0.05 6.68 2.08 0.15 -4.91 119.36 125.49 1o9k n ILE 744 Ca 0.01 0.27 0.00 0.00 0.56 0.00 0.00 62.75 63.59 1o9k n ILE 744 Cb 0.42 -1.58 0.00 0.00 -0.75 0.00 0.00 39.64 37.73 1o9k n ILE 744 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 1o9k n LYS 745 N -3.35 0.00 0.08 0.38 5.02 -1.25 -4.97 118.16 114.07 1o9k n LYS 745 Ca -0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 1o9k n LYS 745 Cb 0.10 -0.31 0.00 0.00 -0.02 0.00 0.00 35.03 34.80 1o9k n LYS 745 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 1o9k n GLU 746 N -3.25 0.00 -0.31 1.97 0.00 -1.26 -4.93 120.64 112.86 1o9k n GLU 746 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 57.16 57.17 1o9k n GLU 746 Cb 0.00 -0.23 0.01 0.00 0.00 0.00 0.00 31.44 31.22 1o9k n GLU 746 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1o9k n GLU 747 N -3.29 0.20 -3.54 3.44 1.02 -1.26 -5.08 120.64 112.12 1o9k n GLU 747 Ca 0.00 -0.99 -0.37 0.00 -0.02 0.00 0.00 57.16 55.78 1o9k n GLU 747 Cb 0.06 -0.59 -0.09 0.00 -0.02 0.00 0.00 31.44 30.80 1o9k n GLU 747 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1o9k s GLU 748 N -0.25 4.10 0.09 3.49 2.56 -1.26 -5.02 118.70 122.41 1o9k s GLU 748 Ca 0.02 -0.09 0.10 0.00 0.00 0.00 0.00 54.97 55.01 1o9k s GLU 748 Cb 0.02 -3.55 -0.03 0.00 2.00 0.00 0.00 34.13 32.56 1o9k s GLU 748 CO 0.00 -0.01 -0.25 0.71 -0.56 0.00 0.00 175.26 175.15 1o9k s TYR 749 N 1.25 2.18 0.36 5.30 1.51 -1.26 0.33 117.35 127.01 1o9k s TYR 749 Ca 0.12 -0.39 -0.13 0.00 -1.01 0.00 0.00 57.07 55.66 1o9k s TYR 749 Cb -0.14 -1.23 0.04 0.00 -0.11 0.00 0.00 41.96 40.51 1o9k s TYR 749 CO 0.06 0.23 0.69 0.34 -1.11 0.00 0.00 175.55 175.76 1o9k s ASP 750 N -1.71 0.19 0.95 2.29 -1.08 -0.75 -4.84 116.67 111.72 1o9k s ASP 750 Ca 0.12 -1.16 -0.12 0.00 -0.52 0.00 0.00 52.55 50.87 1o9k s ASP 750 Cb -0.10 0.78 0.08 0.00 -1.46 0.00 0.00 42.92 42.22 1o9k s ASP 750 CO 0.04 -1.53 0.63 -1.54 0.52 0.00 0.00 175.17 173.30 1o9k n SER 751 N -1.24 -1.35 0.27 -0.34 3.41 -1.20 -1.04 113.62 112.12 1o9k n SER 751 Ca -0.05 0.33 0.18 0.00 -0.26 0.00 0.00 58.87 59.07 1o9k n SER 751 Cb 0.60 -1.28 0.91 0.00 -0.26 0.00 0.00 64.21 64.18 1o9k n SER 751 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 1o9k h ILE 752 N -1.72 0.00 0.01 -1.33 2.10 -0.75 -2.58 117.51 113.24 1o9k h ILE 752 Ca -0.44 -0.15 -0.00 0.00 1.08 0.00 0.00 64.86 65.35 1o9k h ILE 752 Cb 1.28 1.03 0.00 0.00 -1.09 0.00 0.00 36.82 38.04 1o9k h ILE 752 CO 0.37 0.00 -0.00 0.40 -1.08 0.00 0.00 178.15 177.83 1o9k h ILE 753 N 0.00 1.39 -0.61 2.19 2.04 -1.89 -1.65 117.51 118.99 1o9k h ILE 753 Ca 0.00 -1.22 0.09 0.00 1.00 0.00 0.00 64.86 64.73 1o9k h ILE 753 Cb 0.16 2.22 -0.04 0.00 -0.74 0.00 0.00 36.82 38.42 1o9k h ILE 753 CO 0.00 0.31 0.40 0.58 0.00 0.00 0.00 178.15 179.45 1o9k h VAL 754 N -0.54 0.92 0.01 1.67 2.07 -1.81 -1.01 116.25 117.57 1o9k h VAL 754 Ca -0.00 -0.16 -0.00 0.00 0.82 0.00 0.00 66.70 67.36 1o9k h VAL 754 Cb 0.52 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 1o9k h VAL 754 CO 0.00 0.09 -0.00 0.15 0.02 0.00 0.00 177.57 177.82 1o9k h PHE 755 N 0.47 -0.01 0.37 1.57 3.57 -1.37 0.23 116.94 121.76 1o9k h PHE 755 Ca 0.28 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.77 1o9k h PHE 755 Cb 0.47 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.18 1o9k h PHE 755 CO -0.00 0.27 -0.47 -0.92 -2.23 0.00 0.00 178.31 174.96 1o9k h TYR 756 N -0.28 -1.31 -0.12 0.41 3.20 -0.31 0.53 116.97 119.09 1o9k h TYR 756 Ca -0.00 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.85 1o9k h TYR 756 Cb 0.28 0.52 -0.01 0.00 1.54 0.00 0.00 36.73 39.06 1o9k h TYR 756 CO 0.02 -0.60 -0.09 -0.91 -1.64 0.00 0.00 178.16 174.94 1o9k h ASN 757 N -0.86 0.16 0.54 -2.11 2.35 -1.25 -0.77 115.58 113.65 1o9k h ASN 757 Ca -0.04 -0.03 -0.08 0.00 -0.55 0.00 0.00 56.30 55.60 1o9k h ASN 757 Cb 0.77 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 39.08 1o9k h ASN 757 CO -0.11 0.28 -1.52 -1.20 -1.65 0.00 0.00 177.43 173.23 1o9k n SER 758 N -4.34 0.54 0.03 5.81 7.64 0.81 -4.71 113.62 119.39 1o9k n SER 758 Ca -0.01 0.22 0.00 0.00 1.01 0.00 0.00 58.87 60.09 1o9k n SER 758 Cb 0.22 0.85 0.00 0.00 -1.01 0.00 0.00 64.21 64.27 1o9k n SER 758 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1o9k n VAL 759 N -2.63 0.12 0.25 0.44 0.31 0.12 -4.83 118.33 112.11 1o9k n VAL 759 Ca -0.07 0.04 -0.10 0.00 -0.01 0.00 0.00 64.34 64.20 1o9k n VAL 759 Cb 0.69 -0.91 -0.05 0.00 -0.91 0.00 0.00 33.84 32.67 1o9k n VAL 759 CO 0.00 0.00 0.00 0.15 -1.32 0.00 0.00 176.83 175.66 1o9k h PHE 760 N 0.00 -0.60 -0.99 3.52 3.57 -1.11 -2.56 116.94 118.77 1o9k h PHE 760 Ca 0.00 -0.01 0.25 0.00 3.53 0.00 0.00 57.97 61.74 1o9k h PHE 760 Cb 0.30 0.20 -0.07 0.00 2.79 0.00 0.00 35.95 39.17 1o9k h PHE 760 CO 0.00 -0.37 0.66 1.98 -2.23 0.00 0.00 178.31 178.35 1o9k h MET 761 N -0.66 0.29 -0.06 1.11 4.05 -1.40 -1.44 114.93 116.81 1o9k h MET 761 Ca -0.07 -0.02 -0.09 0.00 -0.28 0.00 0.00 59.70 59.25 1o9k h MET 761 Cb 0.49 -0.06 0.00 0.00 -0.80 0.00 0.00 31.60 31.23 1o9k h MET 761 CO 0.11 0.19 -0.31 1.96 0.23 0.00 0.00 176.91 179.08 1o9k h GLN 762 N 0.29 0.31 0.00 0.39 1.08 -1.77 0.65 115.11 116.07 1o9k h GLN 762 Ca 0.52 -0.26 -0.05 0.00 -1.45 0.00 0.00 58.65 57.41 1o9k h GLN 762 Cb 1.51 0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 28.99 1o9k h GLN 762 CO -0.18 0.91 -0.24 -0.09 -0.95 0.00 0.00 178.83 178.28 1o9k h ARG 763 N -0.21 0.00 -0.01 1.46 9.65 -0.86 -3.17 114.38 121.24 1o9k h ARG 763 Ca -0.02 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.86 1o9k h ARG 763 Cb 0.98 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.56 1o9k h ARG 763 CO 0.06 0.24 -0.17 1.28 2.80 0.00 0.00 179.97 184.19 1o9k n LEU 764 N -3.72 1.24 -0.14 3.80 4.77 -0.75 -4.74 117.00 117.46 1o9k n LEU 764 Ca -0.01 -0.79 -0.09 0.00 -0.03 0.00 0.00 56.01 55.08 1o9k n LEU 764 Cb 0.35 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.41 1o9k n LEU 764 CO 0.34 0.25 0.58 0.50 -1.33 0.00 0.00 177.39 177.73 1o9k h LYS 765 N 1.13 -0.29 -0.60 3.23 3.64 0.36 0.32 116.57 124.37 1o9k h LYS 765 Ca 0.00 0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.48 1o9k h LYS 765 Cb 0.32 0.07 -0.10 0.00 -0.41 0.00 0.00 32.23 32.11 1o9k h LYS 765 CO 0.00 -0.19 -0.47 1.15 -2.27 0.00 0.00 179.45 177.66 1o9k h THR 766 N -0.30 0.06 -0.18 1.00 2.02 -1.83 -2.31 112.91 111.36 1o9k h THR 766 Ca 0.15 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.28 1o9k h THR 766 Cb 0.58 0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.04 1o9k h THR 766 CO -0.59 0.00 -0.08 -1.13 0.37 0.00 0.00 175.52 174.09 1o9k h ASN 767 N -0.23 0.39 -0.17 4.18 -0.73 -1.57 -2.90 115.58 114.55 1o9k h ASN 767 Ca 0.16 -0.40 0.05 0.00 1.87 0.00 0.00 56.30 57.98 1o9k h ASN 767 Cb 0.56 -0.11 -0.01 0.00 0.27 0.00 0.00 38.32 39.03 1o9k h ASN 767 CO -0.70 0.70 0.32 0.40 -0.37 0.00 0.00 177.43 177.78 1o9k h ILE 768 N 0.07 0.21 -0.51 2.57 2.04 -0.18 0.33 117.51 122.03 1o9k h ILE 768 Ca 0.04 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.84 1o9k h ILE 768 Cb 0.55 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 37.32 1o9k h ILE 768 CO 0.02 0.00 0.06 0.25 0.00 0.00 0.00 178.15 178.48 1o9k h LEU 769 N 0.00 0.83 -0.55 1.44 7.12 -1.20 -3.13 115.31 119.82 1o9k h LEU 769 Ca 0.08 -0.27 0.05 0.00 0.13 0.00 0.00 57.88 57.86 1o9k h LEU 769 Cb 0.72 -0.22 -0.07 0.00 -0.53 0.00 0.00 40.66 40.56 1o9k h LEU 769 CO -0.00 0.90 -0.33 1.67 -0.13 0.00 0.00 178.44 180.55 1o9k n GLN 770 N -4.37 -0.24 0.22 1.25 7.27 0.10 0.15 117.38 121.76 1o9k n GLN 770 Ca 0.01 1.17 0.16 0.00 0.07 0.00 0.00 57.00 58.42 1o9k n GLN 770 Cb 0.28 -1.74 0.67 0.00 2.41 0.00 0.00 30.24 31.86 1o9k n GLN 770 CO 0.00 0.00 0.00 1.88 0.07 0.00 0.00 177.06 179.01 1o9k h TYR 771 N 0.00 0.00 -0.12 3.69 0.05 -1.69 0.35 116.97 119.25 1o9k h TYR 771 Ca 0.09 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.78 1o9k h TYR 771 Cb 0.23 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.96 1o9k h TYR 771 CO -0.89 0.00 -0.32 0.00 -1.05 0.00 0.00 178.16 175.90 1o9k h ALA 772 N 1.16 1.23 -2.12 3.88 0.00 0.14 -3.43 119.26 120.12 1o9k h ALA 772 Ca 0.10 -0.35 -0.61 0.00 0.00 0.00 0.00 54.91 54.05 1o9k h ALA 772 Cb 1.12 -0.09 0.05 0.00 0.00 0.00 0.00 17.79 18.87 1o9k h ALA 772 CO -0.00 0.52 0.78 0.45 0.00 0.00 0.00 179.25 180.99 1o9k n SER 773 N -4.10 2.86 -0.48 0.00 2.88 0.12 -4.77 113.62 110.13 1o9k n SER 773 Ca -0.01 1.08 0.00 0.00 -1.33 0.00 0.00 58.87 58.60 1o9k n SER 773 Cb 0.41 -1.37 0.00 0.00 -0.75 0.00 0.00 64.21 62.50 1o9k n SER 773 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1o9k n THR 774 N 3.50 0.00 -4.62 2.46 -2.24 -1.26 -4.61 114.28 107.50 1o9k n THR 774 Ca 0.18 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.64 1o9k n THR 774 Cb 0.27 -0.05 -0.12 0.00 -2.10 0.00 0.00 70.33 68.33 1o9k n THR 774 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1o9k s ARG 775 N -1.04 2.37 0.36 -0.78 1.70 -1.26 -5.11 118.95 115.20 1o9k s ARG 775 Ca 0.00 -0.81 -0.28 0.00 -0.47 0.00 0.00 55.73 54.17 1o9k s ARG 775 Cb 0.00 -2.36 -0.11 0.00 -0.57 0.00 0.00 34.95 31.91 1o9k s ARG 775 CO 0.00 0.58 1.41 -1.25 -1.08 0.00 0.00 175.30 174.97 1o9k s PRO 776 N -1.28 4.19 0.62 3.89 0.04 -1.26 -4.95 135.00 136.25 1o9k s PRO 776 Ca 0.15 2.42 -0.04 0.00 0.04 0.00 0.00 61.00 63.58 1o9k s PRO 776 Cb -0.11 -3.00 0.04 0.00 0.04 0.00 0.00 34.50 31.48 1o9k s PRO 776 CO 0.05 -0.41 0.90 -1.25 0.04 0.00 0.00 177.00 176.34 1o9k s PRO 777 N -1.99 2.48 -1.37 0.56 0.04 -1.26 -5.00 135.00 128.46 1o9k s PRO 777 Ca 0.51 -0.38 -0.13 0.00 0.04 0.00 0.00 61.00 61.04 1o9k s PRO 777 Cb -0.44 -2.30 0.09 0.00 0.04 0.00 0.00 34.50 31.89 1o9k s PRO 777 CO 0.59 -0.93 2.01 2.41 0.04 0.00 0.00 177.00 181.12 1o9k n THR 778 N -2.64 3.82 -1.50 1.26 -1.04 -1.26 -4.98 114.28 107.93 1o9k n THR 778 Ca 0.07 -3.66 -0.50 0.00 -2.04 0.00 0.00 64.05 57.92 1o9k n THR 778 Cb 0.60 -2.49 -0.04 0.00 -1.82 0.00 0.00 70.33 66.57 1o9k n THR 778 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1o9k n LEU 779 N 5.82 0.34 -4.80 -4.42 4.77 -1.26 -4.92 117.00 112.53 1o9k n LEU 779 Ca 0.47 1.15 -0.35 0.00 -0.03 0.00 0.00 56.01 57.25 1o9k n LEU 779 Cb 0.40 -1.08 -0.06 0.00 -2.33 0.00 0.00 43.42 40.34 1o9k n LEU 779 CO 0.84 -2.01 0.68 -0.55 -1.33 0.00 0.00 177.39 175.02 1o9k s SER 780 N -0.44 6.95 0.10 -1.43 0.15 -1.26 -5.00 113.70 112.78 1o9k s SER 780 Ca 0.71 1.84 -0.31 0.00 0.70 0.00 0.00 55.95 58.89 1o9k s SER 780 Cb -0.93 -2.57 -0.08 0.00 -1.71 0.00 0.00 66.02 60.74 1o9k s SER 780 CO 0.56 -0.35 1.37 -2.16 1.20 0.00 0.00 173.24 173.86 1o9k s PRO 781 N -2.68 4.33 0.38 5.44 0.04 -1.26 -4.83 135.00 136.42 1o9k s PRO 781 Ca 0.58 2.04 -0.26 0.00 0.04 0.00 0.00 61.00 63.40 1o9k s PRO 781 Cb -0.16 -3.27 -0.09 0.00 0.04 0.00 0.00 34.50 31.02 1o9k s PRO 781 CO 0.21 -0.42 1.22 0.42 0.04 0.00 0.00 177.00 178.46 1o9k s ILE 782 N 1.15 2.97 -0.03 0.56 -1.09 -1.26 -4.94 121.20 118.55 1o9k s ILE 782 Ca 0.64 0.87 -0.30 0.00 -2.23 0.00 0.00 60.65 59.63 1o9k s ILE 782 Cb -0.36 -3.51 -0.08 0.00 -1.58 0.00 0.00 42.46 36.94 1o9k s ILE 782 CO 0.30 0.12 1.98 -2.84 -1.23 0.00 0.00 174.94 173.28 1o9k s PRO 783 N -2.14 3.93 0.02 2.79 0.02 -1.26 -4.90 135.00 133.46 1o9k s PRO 783 Ca 0.55 2.43 -0.03 0.00 0.02 0.00 0.00 61.00 63.97 1o9k s PRO 783 Cb -0.34 -4.19 -0.01 0.00 0.02 0.00 0.00 34.50 29.98 1o9k s PRO 783 CO 0.44 -1.19 0.69 1.58 -0.33 0.00 0.00 177.00 178.18 1o9k n HIS 784 N 8.38 -0.04 -3.71 6.54 -0.00 -1.26 -4.85 115.22 120.28 1o9k n HIS 784 Ca 0.22 0.12 -0.30 0.00 0.46 0.00 0.00 57.72 58.22 1o9k n HIS 784 Cb 0.42 -0.35 0.03 0.00 -0.12 0.00 0.00 29.99 29.97 1o9k n HIS 784 CO 0.00 0.00 0.00 1.51 0.46 0.00 0.00 176.34 178.31 1o9k n ILE 785 N -2.97 -5.36 0.00 3.57 3.06 -1.26 -5.02 119.36 111.39 1o9k n ILE 785 Ca 0.00 -0.70 0.00 0.00 -2.50 0.00 0.00 62.75 59.56 1o9k n ILE 785 Cb 0.03 -4.03 0.00 0.00 0.54 0.00 0.00 39.64 36.18 1o9k n ILE 785 CO 0.00 0.00 0.00 -0.81 -2.50 0.00 0.00 176.55 173.24 1o9k n PRO 786 N -3.88 0.22 -0.49 9.51 -0.04 -1.26 -5.21 135.00 133.85 1o9k n PRO 786 Ca -0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.34 1o9k n PRO 786 Cb 0.59 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.05 1o9k n PRO 786 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00