#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 0.50 -0.39 2.46 2.02 -2.05 -2.22 112.91 113.24 1o9k h THR 645 Ca 0.00 -0.10 0.02 0.00 0.77 0.00 0.00 66.41 67.10 1o9k h THR 645 Cb 0.00 0.19 -0.03 0.00 -1.74 0.00 0.00 68.15 66.57 1o9k h THR 645 CO 0.00 0.05 0.21 0.77 0.37 0.00 0.00 175.52 176.92 1o9k h SER 646 N 0.29 0.33 -0.42 4.18 4.64 -2.05 0.20 113.55 120.72 1o9k h SER 646 Ca 0.44 0.01 -0.04 0.00 -0.47 0.00 0.00 61.79 61.73 1o9k h SER 646 Cb 0.77 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 62.78 1o9k h SER 646 CO -0.52 0.24 0.13 0.25 -0.87 0.00 0.00 176.83 176.06 1o9k h LEU 647 N 0.43 0.68 0.09 5.97 5.85 -1.86 -0.91 115.31 125.56 1o9k h LEU 647 Ca 0.16 -0.11 -0.26 0.00 0.84 0.00 0.00 57.88 58.51 1o9k h LEU 647 Cb 0.03 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 1o9k h LEU 647 CO -0.09 0.66 -1.23 0.77 -0.34 0.00 0.00 178.44 178.21 1o9k h SER 648 N 0.71 0.29 -0.14 1.25 4.64 -0.93 -2.41 113.55 116.97 1o9k h SER 648 Ca 0.16 -0.33 -0.11 0.00 -0.47 0.00 0.00 61.79 61.04 1o9k h SER 648 Cb 0.25 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.23 1o9k h SER 648 CO -0.00 1.26 -0.28 0.25 -0.87 0.00 0.00 176.83 177.18 1o9k h LEU 649 N 0.05 0.62 -0.22 5.97 7.12 -0.42 -1.86 115.31 126.57 1o9k h LEU 649 Ca -0.12 -0.23 -0.03 0.00 0.13 0.00 0.00 57.88 57.62 1o9k h LEU 649 Cb 1.93 -0.17 -0.01 0.00 -0.53 0.00 0.00 40.66 41.88 1o9k h LEU 649 CO 0.17 0.88 0.00 0.15 -0.13 0.00 0.00 178.44 179.51 1o9k h PHE 650 N 0.53 0.43 -0.46 1.25 3.57 -1.16 -2.35 116.94 118.74 1o9k h PHE 650 Ca 0.07 -0.07 -0.06 0.00 3.53 0.00 0.00 57.97 61.43 1o9k h PHE 650 Cb 0.75 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.36 1o9k h PHE 650 CO 0.03 0.57 0.04 1.88 -2.23 0.00 0.00 178.31 178.60 1o9k h TYR 651 N 0.16 0.83 0.23 0.41 0.05 -1.38 0.97 116.97 118.24 1o9k h TYR 651 Ca 0.06 -0.13 0.01 0.00 0.05 0.00 0.00 58.73 58.72 1o9k h TYR 651 Cb 0.40 -0.22 -0.03 0.00 1.01 0.00 0.00 36.73 37.89 1o9k h TYR 651 CO 0.03 0.79 -0.29 0.87 -1.05 0.00 0.00 178.16 178.52 1o9k h LYS 652 N 0.63 -0.55 -0.55 4.88 1.57 -1.29 0.10 116.57 121.36 1o9k h LYS 652 Ca 0.13 0.04 0.04 0.00 -1.87 0.00 0.00 60.65 58.99 1o9k h LYS 652 Cb 0.43 0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.82 1o9k h LYS 652 CO 0.01 -0.37 0.30 0.87 -0.57 0.00 0.00 179.45 179.69 1o9k h LYS 653 N -0.57 0.56 -0.72 3.15 1.79 -1.30 -1.16 116.57 118.31 1o9k h LYS 653 Ca 0.00 -0.03 0.04 0.00 -2.18 0.00 0.00 60.65 58.48 1o9k h LYS 653 Cb 0.55 -0.13 -0.05 0.00 -1.58 0.00 0.00 32.23 31.03 1o9k h LYS 653 CO -0.10 0.37 0.44 0.28 -1.08 0.00 0.00 179.45 179.36 1o9k h VAL 654 N 0.57 1.05 0.06 0.50 2.07 -0.35 -1.85 116.25 118.31 1o9k h VAL 654 Ca 0.24 -0.29 -0.00 0.00 0.82 0.00 0.00 66.70 67.47 1o9k h VAL 654 Cb 0.11 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.02 1o9k h VAL 654 CO -0.14 0.15 -0.03 1.88 0.02 0.00 0.00 177.57 179.45 1o9k h TYR 655 N 0.84 -0.08 -0.58 1.57 0.05 -0.11 0.14 116.97 118.80 1o9k h TYR 655 Ca 0.30 -0.00 0.07 0.00 0.05 0.00 0.00 58.73 59.15 1o9k h TYR 655 Cb 0.09 0.03 -0.06 0.00 1.01 0.00 0.00 36.73 37.80 1o9k h TYR 655 CO -0.05 0.09 0.26 -0.09 -1.05 0.00 0.00 178.16 177.32 1o9k h ARG 656 N -0.23 0.47 -0.60 4.88 2.43 -1.01 0.11 114.38 120.44 1o9k h ARG 656 Ca -0.01 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.10 1o9k h ARG 656 Cb 0.20 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.62 1o9k h ARG 656 CO 0.01 0.31 0.24 1.25 -1.51 0.00 0.00 179.97 180.28 1o9k h LEU 657 N 0.49 0.82 -0.07 3.80 6.46 -1.21 -2.10 115.31 123.49 1o9k h LEU 657 Ca 0.27 -0.17 -0.00 0.00 -0.12 0.00 0.00 57.88 57.86 1o9k h LEU 657 Cb 0.25 -0.21 -0.00 0.00 -0.73 0.00 0.00 40.66 39.96 1o9k h LEU 657 CO -0.23 0.76 0.04 0.00 -0.62 0.00 0.00 178.44 178.40 1o9k h ALA 658 N 1.09 0.09 -0.53 1.25 0.00 0.29 -2.97 119.26 118.48 1o9k h ALA 658 Ca 0.20 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1o9k h ALA 658 Cb 0.20 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1o9k h ALA 658 CO -0.02 -0.38 0.24 -0.92 0.00 0.00 0.00 179.25 178.17 1o9k h TYR 659 N 0.04 0.78 -0.60 0.00 3.20 -0.73 -1.58 116.97 118.07 1o9k h TYR 659 Ca 0.03 -0.05 0.04 0.00 3.14 0.00 0.00 58.73 61.89 1o9k h TYR 659 Cb 0.06 -0.24 -0.03 0.00 1.54 0.00 0.00 36.73 38.06 1o9k h TYR 659 CO -0.05 0.62 0.40 -0.07 -1.64 0.00 0.00 178.16 177.42 1o9k h LEU 660 N 0.72 0.60 -0.07 2.82 3.38 -1.37 0.28 115.31 121.67 1o9k h LEU 660 Ca 0.18 -0.01 -0.25 0.00 0.09 0.00 0.00 57.88 57.90 1o9k h LEU 660 Cb 0.15 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 40.77 1o9k h LEU 660 CO -0.02 0.41 -1.03 0.03 0.09 0.00 0.00 178.44 177.92 1o9k h ARG 661 N 0.69 0.52 0.18 1.13 3.08 -1.32 -2.58 114.38 116.09 1o9k h ARG 661 Ca 0.24 -0.58 -0.01 0.00 0.07 0.00 0.00 59.98 59.70 1o9k h ARG 661 Cb 0.11 0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.34 1o9k h ARG 661 CO -0.07 1.21 -0.09 1.25 -1.07 0.00 0.00 179.97 181.20 1o9k h LEU 662 N 0.28 -0.21 -2.02 3.04 6.46 -0.65 -2.69 115.31 119.52 1o9k h LEU 662 Ca -0.11 -0.04 0.08 0.00 -0.12 0.00 0.00 57.88 57.69 1o9k h LEU 662 Cb 1.68 0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 41.65 1o9k h LEU 662 CO 0.19 -0.10 0.20 -1.13 -0.62 0.00 0.00 178.44 176.98 1o9k h ASN 663 N -0.30 0.00 -0.07 1.25 -0.73 -0.49 -0.08 115.58 115.15 1o9k h ASN 663 Ca -0.03 0.00 -0.12 0.00 1.87 0.00 0.00 56.30 58.02 1o9k h ASN 663 Cb 0.24 0.00 0.01 0.00 0.27 0.00 0.00 38.32 38.83 1o9k h ASN 663 CO 0.04 0.00 -0.44 0.74 -0.37 0.00 0.00 177.43 177.40 1o9k h THR 664 N 0.00 1.40 -0.25 -3.57 2.02 -1.15 -2.66 112.91 108.71 1o9k h THR 664 Ca 0.13 -1.83 -0.13 0.00 0.77 0.00 0.00 66.41 65.35 1o9k h THR 664 Cb 0.53 2.32 -0.00 0.00 -1.74 0.00 0.00 68.15 69.26 1o9k h THR 664 CO -0.00 0.54 -0.37 -0.07 0.37 0.00 0.00 175.52 175.98 1o9k h LEU 665 N -0.03 0.75 -0.60 2.58 3.38 -1.08 -3.03 115.31 117.28 1o9k h LEU 665 Ca -0.03 -0.52 -0.03 0.00 0.09 0.00 0.00 57.88 57.39 1o9k h LEU 665 Cb 1.10 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.61 1o9k h LEU 665 CO 0.09 1.12 0.25 0.00 0.09 0.00 0.00 178.44 180.00 1o9k h GLU 667 N 0.83 0.09 0.07 0.00 4.81 -1.53 0.51 114.58 119.36 1o9k h GLU 667 Ca 0.20 -0.02 -0.31 0.00 -0.13 0.00 0.00 59.36 59.10 1o9k h GLU 667 Cb 0.18 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.52 1o9k h GLU 667 CO -0.02 0.25 -1.71 0.00 -0.73 0.00 0.00 179.01 176.80 1o9k h ARG 668 N 0.09 0.16 0.00 1.92 3.08 -1.23 -3.33 114.38 115.07 1o9k h ARG 668 Ca 0.02 -0.27 -0.27 0.00 0.07 0.00 0.00 59.98 59.53 1o9k h ARG 668 Cb 0.32 0.10 -0.05 0.00 0.08 0.00 0.00 29.97 30.42 1o9k h ARG 668 CO 0.02 0.92 -2.28 1.28 -1.07 0.00 0.00 179.97 178.83 1o9k n LEU 669 N -3.31 0.00 -1.36 3.04 4.32 0.17 -4.61 117.00 115.24 1o9k n LEU 669 Ca -0.20 0.00 -0.08 0.00 -0.02 0.00 0.00 56.01 55.71 1o9k n LEU 669 Cb 1.04 0.37 0.11 0.00 -1.62 0.00 0.00 43.42 43.32 1o9k n LEU 669 CO 0.46 0.37 0.25 0.18 -1.22 0.00 0.00 177.39 177.43 1o9k n LEU 670 N -2.62 3.62 0.26 2.23 4.77 0.18 -4.79 117.00 120.65 1o9k n LEU 670 Ca -0.25 -4.19 0.18 0.00 -0.03 0.00 0.00 56.01 51.71 1o9k n LEU 670 Cb 1.00 -0.39 0.95 0.00 -2.33 0.00 0.00 43.42 42.66 1o9k n LEU 670 CO 0.44 1.68 1.03 0.77 -1.33 0.00 0.00 177.39 179.98 1o9k h SER 671 N 1.59 0.00 0.00 -1.43 4.64 -1.66 -1.71 113.55 114.99 1o9k h SER 671 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1o9k h SER 671 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1o9k h SER 671 CO 0.36 0.00 -0.60 -0.62 -0.87 0.00 0.00 176.83 175.09 1o9k n GLU 672 N -2.73 0.88 -2.86 4.77 1.02 -1.26 -4.34 120.64 116.12 1o9k n GLU 672 Ca -0.02 -0.73 -0.23 0.00 -0.02 0.00 0.00 57.16 56.16 1o9k n GLU 672 Cb 0.06 -1.48 -0.02 0.00 -0.02 0.00 0.00 31.44 29.98 1o9k n GLU 672 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1o9k n HIS 673 N -0.42 2.64 -0.19 -0.32 8.25 -0.64 -4.96 115.22 119.57 1o9k n HIS 673 Ca 0.08 -3.62 0.30 0.00 -0.26 0.00 0.00 57.72 54.22 1o9k n HIS 673 Cb 0.43 -0.37 0.60 0.00 1.12 0.00 0.00 29.99 31.77 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 2.90 0.00 0.00 -0.41 0.11 -1.75 -0.42 132.00 132.43 1o9k h PRO 674 Ca 0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.24 1o9k h PRO 674 Cb 0.79 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.90 1o9k h PRO 674 CO 0.71 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.65 1o9k n GLU 675 N -3.54 0.11 -0.12 1.05 0.00 -1.26 -3.98 120.64 112.89 1o9k n GLU 675 Ca 0.21 0.16 -0.13 0.00 0.00 0.00 0.00 57.16 57.41 1o9k n GLU 675 Cb 1.30 -1.64 -0.01 0.00 0.00 0.00 0.00 31.44 31.08 1o9k n GLU 675 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 1o9k h LEU 676 N 0.00 0.99 -0.53 -1.84 3.38 -1.43 -3.31 115.31 112.57 1o9k h LEU 676 Ca 0.00 -0.45 0.11 0.00 0.09 0.00 0.00 57.88 57.63 1o9k h LEU 676 Cb 0.52 -0.28 -0.10 0.00 0.09 0.00 0.00 40.66 40.89 1o9k h LEU 676 CO 0.00 1.25 -0.12 -0.08 0.09 0.00 0.00 178.44 179.58 1o9k h GLU 677 N 0.76 0.01 -0.28 1.13 4.81 -1.79 0.16 114.58 119.39 1o9k h GLU 677 Ca 0.06 -0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.26 1o9k h GLU 677 Cb 0.97 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.33 1o9k h GLU 677 CO 0.09 0.01 0.01 1.25 -0.73 0.00 0.00 179.01 179.64 1o9k h HIS 678 N 0.01 0.42 -0.13 0.92 2.76 -1.83 0.17 115.15 117.47 1o9k h HIS 678 Ca 0.26 -0.03 -0.08 0.00 -2.20 0.00 0.00 60.37 58.32 1o9k h HIS 678 Cb 0.39 -0.13 -0.00 0.00 1.55 0.00 0.00 27.41 29.22 1o9k h HIS 678 CO -0.43 0.41 -0.21 0.82 -1.30 0.00 0.00 177.93 177.22 1o9k h ILE 679 N 0.40 1.37 -0.33 6.26 2.04 -1.12 -2.20 117.51 123.93 1o9k h ILE 679 Ca 0.09 -1.45 0.00 0.00 1.00 0.00 0.00 64.86 64.51 1o9k h ILE 679 Cb 0.24 1.99 -0.02 0.00 -0.74 0.00 0.00 36.82 38.30 1o9k h ILE 679 CO 0.00 0.43 0.21 0.40 0.00 0.00 0.00 178.15 179.19 1o9k h ILE 680 N -0.02 1.09 -0.93 -0.67 2.04 -0.37 -1.94 117.51 116.71 1o9k h ILE 680 Ca 0.01 -0.17 0.06 0.00 1.00 0.00 0.00 64.86 65.76 1o9k h ILE 680 Cb 0.78 0.62 -0.06 0.00 -0.74 0.00 0.00 36.82 37.42 1o9k h ILE 680 CO 0.05 0.09 0.61 -0.25 0.00 0.00 0.00 178.15 178.64 1o9k h TRP 681 N 0.44 1.09 -0.86 1.37 2.91 -0.66 0.83 115.95 121.07 1o9k h TRP 681 Ca 0.12 0.03 -0.02 0.00 1.13 0.00 0.00 58.89 60.15 1o9k h TRP 681 Cb -0.04 -0.36 -0.04 0.00 -0.51 0.00 0.00 29.16 28.21 1o9k h TRP 681 CO -0.05 0.58 0.47 1.15 -1.03 0.00 0.00 178.44 179.56 1o9k h THR 682 N 1.08 1.25 -0.17 2.65 2.02 -0.72 -0.54 112.91 118.48 1o9k h THR 682 Ca 0.40 -0.63 -0.03 0.00 0.77 0.00 0.00 66.41 66.91 1o9k h THR 682 Cb 0.16 0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 66.66 1o9k h THR 682 CO -0.15 0.29 -0.02 0.25 0.37 0.00 0.00 175.52 176.26 1o9k h LEU 683 N 1.20 0.32 -0.32 2.58 6.46 -0.47 -2.40 115.31 122.69 1o9k h LEU 683 Ca 0.30 -0.34 0.06 0.00 -0.12 0.00 0.00 57.88 57.79 1o9k h LEU 683 Cb 0.04 -0.09 -0.06 0.00 -0.73 0.00 0.00 40.66 39.82 1o9k h LEU 683 CO -0.05 0.58 -0.07 0.15 -0.62 0.00 0.00 178.44 178.43 1o9k h PHE 684 N 0.05 -0.15 -0.19 1.25 3.04 -0.65 -1.07 116.94 119.21 1o9k h PHE 684 Ca 0.05 0.03 -0.03 0.00 3.98 0.00 0.00 57.97 62.00 1o9k h PHE 684 Cb 0.43 0.12 -0.01 0.00 2.56 0.00 0.00 35.95 39.05 1o9k h PHE 684 CO 0.04 -0.13 0.01 0.37 -2.02 0.00 0.00 178.31 176.58 1o9k h GLN 685 N 0.01 0.34 -0.55 1.11 4.15 -1.14 0.02 115.11 119.05 1o9k h GLN 685 Ca 0.15 -0.10 0.10 0.00 0.77 0.00 0.00 58.65 59.57 1o9k h GLN 685 Cb 0.23 -0.03 -0.08 0.00 0.21 0.00 0.00 27.48 27.81 1o9k h GLN 685 CO -0.32 0.53 0.09 1.25 -1.93 0.00 0.00 178.83 178.45 1o9k h HIS 686 N 0.10 0.13 0.65 3.99 2.76 -1.22 0.27 115.15 121.83 1o9k h HIS 686 Ca 0.06 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.24 1o9k h HIS 686 Cb 0.37 0.03 -0.01 0.00 1.55 0.00 0.00 27.41 29.35 1o9k h HIS 686 CO 0.03 -0.05 -0.44 1.15 -1.30 0.00 0.00 177.93 177.33 1o9k h THR 687 N 0.22 0.12 -0.99 6.26 2.02 -0.93 1.00 112.91 120.61 1o9k h THR 687 Ca 0.28 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.61 1o9k h THR 687 Cb 0.41 0.12 -0.09 0.00 -1.74 0.00 0.00 68.15 66.85 1o9k h THR 687 CO -0.39 0.00 0.62 -0.07 0.37 0.00 0.00 175.52 176.05 1o9k h LEU 688 N -1.04 0.83 0.13 2.58 3.38 -0.15 0.15 115.31 121.19 1o9k h LEU 688 Ca -0.08 0.06 -0.33 0.00 0.09 0.00 0.00 57.88 57.62 1o9k h LEU 688 Cb 0.85 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 1o9k h LEU 688 CO 0.06 0.39 -1.73 -0.61 0.09 0.00 0.00 178.44 176.64 1o9k h GLN 689 N 0.86 0.27 0.00 1.13 4.15 -0.20 -3.37 115.11 117.95 1o9k h GLN 689 Ca 0.52 -0.46 -0.19 0.00 0.77 0.00 0.00 58.65 59.30 1o9k h GLN 689 Cb 0.69 0.17 -0.03 0.00 0.21 0.00 0.00 27.48 28.51 1o9k h GLN 689 CO -0.30 1.13 -1.70 0.09 -1.93 0.00 0.00 178.83 176.12 1o9k n ASN 690 N -3.45 2.66 -2.24 -0.69 3.02 0.34 -4.62 115.26 110.28 1o9k n ASN 690 Ca -0.23 -0.02 -0.32 0.00 -0.03 0.00 0.00 54.58 53.99 1o9k n ASN 690 Cb 1.05 0.46 0.06 0.00 -0.61 0.00 0.00 39.78 40.75 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 -2.52 2.97 0.00 3.52 -0.58 0.48 -4.78 120.64 119.73 1o9k n GLU 691 Ca -0.18 -3.55 0.00 0.00 -0.42 0.00 0.00 57.16 53.00 1o9k n GLU 691 Cb 0.80 -2.29 0.00 0.00 -0.57 0.00 0.00 31.44 29.39 1o9k n GLU 691 CO 0.00 0.00 0.00 2.48 -0.48 0.00 0.00 177.13 179.13 1o9k n TYR 692 N -0.86 0.00 0.19 -0.32 0.18 -1.05 -1.53 117.16 113.78 1o9k n TYR 692 Ca 0.57 0.00 0.07 0.00 1.88 0.00 0.00 57.90 60.42 1o9k n TYR 692 Cb 0.75 -0.32 0.32 0.00 -0.38 0.00 0.00 39.34 39.71 1o9k n TYR 692 CO 0.00 0.00 0.00 0.93 -2.08 0.00 0.00 176.86 175.71 1o9k h GLU 693 N 0.00 0.00 -0.33 -3.48 4.39 -1.88 -2.66 114.58 110.63 1o9k h GLU 693 Ca 0.00 0.00 0.06 0.00 0.34 0.00 0.00 59.36 59.76 1o9k h GLU 693 Cb 0.06 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.69 1o9k h GLU 693 CO 0.00 0.33 0.23 -0.07 -1.16 0.00 0.00 179.01 178.34 1o9k h LEU 694 N 0.00 0.14 -0.27 1.33 -0.00 -1.65 -1.99 115.31 112.87 1o9k h LEU 694 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1o9k h LEU 694 Cb 0.94 -0.03 0.00 0.00 -0.00 0.00 0.00 40.66 41.57 1o9k h LEU 694 CO 0.04 0.09 0.00 0.23 -0.00 0.00 0.00 178.44 178.80 1o9k n MET 695 N -4.47 0.23 -1.64 1.13 2.81 -1.00 -4.61 117.12 109.57 1o9k n MET 695 Ca 0.04 0.29 -0.43 0.00 -1.81 0.00 0.00 57.70 55.79 1o9k n MET 695 Cb 0.29 -1.83 -0.03 0.00 -0.71 0.00 0.00 33.22 30.94 1o9k n MET 695 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 1o9k n ARG 696 N -2.24 2.45 -1.44 0.03 0.63 -0.75 -0.33 116.66 115.01 1o9k n ARG 696 Ca 0.04 0.84 -0.15 0.00 -0.92 0.00 0.00 57.85 57.66 1o9k n ARG 696 Cb 0.35 -3.02 -0.07 0.00 0.45 0.00 0.00 32.46 30.18 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 8.76 -5.15 -2.88 6.15 8.00 -1.26 -4.97 116.55 125.20 1o9k n ASP 697 Ca 0.24 0.38 -0.11 0.00 0.71 0.00 0.00 54.79 56.01 1o9k n ASP 697 Cb 0.40 -3.99 -0.02 0.00 -0.02 0.00 0.00 41.12 37.49 1o9k n ASP 697 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1o9k n ARG 698 N -2.14 1.57 -5.19 -1.24 1.74 0.55 -4.81 116.66 107.15 1o9k n ARG 698 Ca -0.15 -1.21 -0.31 0.00 -0.77 0.00 0.00 57.85 55.41 1o9k n ARG 698 Cb 0.55 0.31 -0.17 0.00 -1.02 0.00 0.00 32.46 32.14 1o9k n ARG 698 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1o9k s HIS 699 N -1.55 2.36 0.35 -1.55 5.65 -1.26 -4.98 115.29 114.30 1o9k s HIS 699 Ca 0.01 -0.78 0.15 0.00 0.25 0.00 0.00 55.06 54.68 1o9k s HIS 699 Cb -0.00 -1.56 1.08 0.00 -1.18 0.00 0.00 32.58 30.91 1o9k s HIS 699 CO 0.00 -0.27 1.67 1.25 -0.65 0.00 0.00 174.74 176.75 1o9k h LEU 700 N 6.28 0.53 -0.72 8.88 6.46 -1.99 0.03 115.31 134.78 1o9k h LEU 700 Ca -0.29 0.18 -0.09 0.00 -0.12 0.00 0.00 57.88 57.56 1o9k h LEU 700 Cb 1.19 0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 41.23 1o9k h LEU 700 CO 0.47 -0.10 -0.43 0.44 -0.62 0.00 0.00 178.44 178.20 1o9k h ASP 701 N 0.35 0.00 -0.60 1.25 3.32 -1.97 -2.32 116.42 116.46 1o9k h ASP 701 Ca 0.72 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.69 1o9k h ASP 701 Cb 1.65 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 41.17 1o9k h ASP 701 CO -0.57 0.43 0.07 1.56 -1.72 0.00 0.00 179.24 179.01 1o9k h GLN 702 N 0.00 1.03 -0.37 3.56 4.20 -1.27 -1.32 115.11 120.94 1o9k h GLN 702 Ca -0.00 -0.28 -0.12 0.00 0.06 0.00 0.00 58.65 58.30 1o9k h GLN 702 Cb 1.03 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.69 1o9k h GLN 702 CO 0.06 0.97 -0.24 0.82 -0.67 0.00 0.00 178.83 179.77 1o9k h ILE 703 N 0.96 1.28 0.14 2.54 5.03 -1.45 -2.53 117.51 123.49 1o9k h ILE 703 Ca 0.19 -1.38 -0.00 0.00 -0.12 0.00 0.00 64.86 63.54 1o9k h ILE 703 Cb 0.46 1.37 -0.01 0.00 -3.03 0.00 0.00 36.82 35.62 1o9k h ILE 703 CO 0.02 0.46 -0.10 -0.03 -0.68 0.00 0.00 178.15 177.82 1o9k h MET 704 N 0.60 -0.23 -0.42 2.37 1.85 -1.14 0.89 114.93 118.84 1o9k h MET 704 Ca 0.07 0.02 -0.05 0.00 -0.61 0.00 0.00 59.70 59.13 1o9k h MET 704 Cb 0.80 0.05 -0.02 0.00 0.43 0.00 0.00 31.60 32.86 1o9k h MET 704 CO 0.07 -0.15 0.04 0.52 -0.40 0.00 0.00 176.91 176.98 1o9k h MET 705 N -0.24 0.66 -0.04 0.39 2.86 -1.29 -1.86 114.93 115.41 1o9k h MET 705 Ca -0.01 -0.14 -0.15 0.00 -2.06 0.00 0.00 59.70 57.34 1o9k h MET 705 Cb 0.21 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.76 1o9k h MET 705 CO -0.00 0.65 -0.64 0.00 1.06 0.00 0.00 176.91 177.97 1o9k h SER 707 N 0.10 0.96 0.22 0.00 0.02 -0.28 -0.69 113.55 113.89 1o9k h SER 707 Ca -0.01 -0.31 -0.01 0.00 -0.84 0.00 0.00 61.79 60.62 1o9k h SER 707 Cb 1.15 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 63.43 1o9k h SER 707 CO 0.09 1.08 -0.11 0.24 -1.14 0.00 0.00 176.83 177.00 1o9k h MET 708 N 0.86 -0.28 -0.60 3.45 2.86 -0.99 -2.50 114.93 117.72 1o9k h MET 708 Ca 0.13 0.02 0.03 0.00 -2.06 0.00 0.00 59.70 57.83 1o9k h MET 708 Cb 0.66 0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.35 1o9k h MET 708 CO 0.05 -0.10 0.40 -0.92 1.06 0.00 0.00 176.91 177.40 1o9k h TYR 709 N -0.42 0.68 0.07 -0.22 3.20 -1.14 -2.51 116.97 116.62 1o9k h TYR 709 Ca -0.03 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.85 1o9k h TYR 709 Cb 0.32 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.37 1o9k h TYR 709 CO -0.03 0.39 -0.03 0.78 -1.64 0.00 0.00 178.16 177.63 1o9k h GLY 710 N 0.70 -0.10 -0.21 1.82 0.00 -0.85 -2.76 103.07 101.67 1o9k h GLY 710 Ca 0.24 0.04 0.30 0.00 0.00 0.00 0.00 47.33 47.91 1o9k h GLY 710 CO -0.07 -0.04 0.75 -2.22 0.00 0.00 0.00 176.54 174.97 1o9k h ILE 711 N -0.11 0.47 0.21 2.60 1.08 -1.43 0.49 117.51 120.83 1o9k h ILE 711 Ca -0.01 -0.05 -0.01 0.00 -0.39 0.00 0.00 64.86 64.40 1o9k h ILE 711 Cb 0.07 0.30 0.00 0.00 -3.07 0.00 0.00 36.82 34.12 1o9k h ILE 711 CO 0.02 0.03 -0.10 0.00 -0.69 0.00 0.00 178.15 177.40 1o9k h LYS 713 N -0.54 0.01 -0.04 0.00 1.79 -0.60 0.32 116.57 117.51 1o9k h LYS 713 Ca -0.03 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 1o9k h LYS 713 Cb 0.40 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.05 1o9k h LYS 713 CO 0.05 0.01 0.00 1.33 -1.08 0.00 0.00 179.45 179.75 1o9k n VAL 714 N -5.46 0.05 0.14 0.50 0.24 -1.09 -2.36 118.33 110.35 1o9k n VAL 714 Ca 0.10 -0.09 0.02 0.00 -2.04 0.00 0.00 64.34 62.33 1o9k n VAL 714 Cb 0.38 -0.11 -0.00 0.00 -1.47 0.00 0.00 33.84 32.63 1o9k n VAL 714 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1o9k n LYS 715 N -0.50 2.67 -1.44 7.34 4.76 0.83 -4.76 118.16 127.07 1o9k n LYS 715 Ca 0.14 -0.36 -0.07 0.00 -2.87 0.00 0.00 58.31 55.15 1o9k n LYS 715 Cb 0.13 -0.86 -0.02 0.00 -1.84 0.00 0.00 35.03 32.44 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 -0.43 -3.48 -4.71 4.39 4.13 0.42 -5.02 115.26 110.56 1o9k n ASN 716 Ca 0.01 0.12 -0.39 0.00 1.68 0.00 0.00 54.58 56.00 1o9k n ASN 716 Cb 0.07 -1.89 -0.05 0.00 -1.54 0.00 0.00 39.78 36.36 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 -2.27 5.08 -0.69 2.41 -1.09 -0.84 -5.01 121.20 118.81 1o9k s ILE 717 Ca 0.00 1.30 -0.25 0.00 -2.23 0.00 0.00 60.65 59.46 1o9k s ILE 717 Cb 0.00 -3.97 0.04 0.00 -1.58 0.00 0.00 42.46 36.95 1o9k s ILE 717 CO 0.00 0.26 1.14 -0.62 -1.23 0.00 0.00 174.94 174.50 1o9k s ASP 718 N 0.78 6.20 -0.44 3.58 2.15 -1.26 -4.32 116.67 123.36 1o9k s ASP 718 Ca 0.34 -0.57 0.03 0.00 0.43 0.00 0.00 52.55 52.77 1o9k s ASP 718 Cb -0.17 -2.50 0.13 0.00 -0.30 0.00 0.00 42.92 40.07 1o9k s ASP 718 CO 0.15 -1.63 0.21 -0.22 -0.17 0.00 0.00 175.17 173.51 1o9k s LEU 719 N 5.00 3.30 0.41 -1.34 2.96 -1.26 -5.10 118.68 122.64 1o9k s LEU 719 Ca 0.31 -2.59 -0.27 0.00 -0.22 0.00 0.00 54.13 51.36 1o9k s LEU 719 Cb -0.11 -1.25 -0.10 0.00 0.50 0.00 0.00 46.19 45.23 1o9k s LEU 719 CO 0.15 -0.28 1.47 0.29 -1.32 0.00 0.00 176.35 176.66 1o9k n LYS 720 N 3.62 2.52 0.26 1.98 5.02 -1.26 -4.87 118.16 125.42 1o9k n LYS 720 Ca 0.06 0.89 0.11 0.00 -2.02 0.00 0.00 58.31 57.35 1o9k n LYS 720 Cb 0.35 -2.67 0.70 0.00 -0.02 0.00 0.00 35.03 33.39 1o9k n LYS 720 CO 0.00 0.00 0.00 0.35 -0.52 0.00 0.00 177.40 177.23 1o9k h PHE 721 N 2.68 0.00 0.00 2.13 3.04 -1.99 0.05 116.94 122.85 1o9k h PHE 721 Ca -0.51 0.00 -0.02 0.00 3.98 0.00 0.00 57.97 61.43 1o9k h PHE 721 Cb 1.25 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 39.76 1o9k h PHE 721 CO 0.52 0.12 -0.07 1.57 -2.02 0.00 0.00 178.31 178.42 1o9k h LYS 722 N 0.00 0.00 0.04 1.11 2.10 -1.98 0.15 116.57 117.98 1o9k h LYS 722 Ca -0.00 0.00 -0.26 0.00 -2.00 0.00 0.00 60.65 58.39 1o9k h LYS 722 Cb 0.30 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.60 1o9k h LYS 722 CO 0.02 0.07 -1.35 0.82 -2.00 0.00 0.00 179.45 177.01 1o9k h ILE 723 N 0.00 1.32 -0.32 0.07 1.08 -1.35 -2.07 117.51 116.24 1o9k h ILE 723 Ca -0.00 -3.05 -0.15 0.00 -0.39 0.00 0.00 64.86 61.27 1o9k h ILE 723 Cb 0.55 2.71 -0.00 0.00 -3.07 0.00 0.00 36.82 37.01 1o9k h ILE 723 CO 0.01 0.80 -0.39 0.40 -0.69 0.00 0.00 178.15 178.27 1o9k h ILE 724 N 0.02 1.28 -0.37 -0.67 2.04 -1.08 -3.02 117.51 115.72 1o9k h ILE 724 Ca -0.15 -1.57 -0.15 0.00 1.00 0.00 0.00 64.86 63.98 1o9k h ILE 724 Cb 1.91 1.53 -0.01 0.00 -0.74 0.00 0.00 36.82 39.51 1o9k h ILE 724 CO 0.13 0.51 -0.38 0.58 0.00 0.00 0.00 178.15 179.00 1o9k h VAL 725 N 0.62 1.28 -0.45 1.67 2.07 -0.78 -2.14 116.25 118.53 1o9k h VAL 725 Ca 0.04 -1.55 -0.12 0.00 0.82 0.00 0.00 66.70 65.90 1o9k h VAL 725 Cb 0.99 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 32.13 1o9k h VAL 725 CO 0.09 0.52 -0.17 0.74 0.02 0.00 0.00 177.57 178.77 1o9k h THR 726 N 0.73 1.27 -0.39 2.57 2.02 -1.41 -2.37 112.91 115.33 1o9k h THR 726 Ca 0.06 -1.32 -0.15 0.00 0.77 0.00 0.00 66.41 65.78 1o9k h THR 726 Cb 0.96 1.18 -0.01 0.00 -1.74 0.00 0.00 68.15 68.54 1o9k h THR 726 CO 0.09 0.45 -0.33 0.00 0.37 0.00 0.00 175.52 176.10 1o9k h ALA 727 N 0.85 0.57 -0.85 6.16 0.00 -1.56 -3.05 119.26 121.38 1o9k h ALA 727 Ca 0.11 -0.43 0.14 0.00 0.00 0.00 0.00 54.91 54.72 1o9k h ALA 727 Cb 0.73 -0.13 -0.09 0.00 0.00 0.00 0.00 17.79 18.31 1o9k h ALA 727 CO 0.06 0.64 0.45 -0.92 0.00 0.00 0.00 179.25 179.47 1o9k h TYR 728 N 0.74 0.80 -0.48 0.00 3.20 -1.19 -0.44 116.97 119.60 1o9k h TYR 728 Ca 0.07 0.03 0.14 0.00 3.14 0.00 0.00 58.73 62.11 1o9k h TYR 728 Cb 0.92 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.94 1o9k h TYR 728 CO 0.06 0.22 0.42 0.87 -1.64 0.00 0.00 178.16 178.10 1o9k h LYS 729 N 0.67 0.00 0.00 1.82 1.57 -1.31 -0.99 116.57 118.33 1o9k h LYS 729 Ca 0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.23 1o9k h LYS 729 Cb 0.59 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.90 1o9k h LYS 729 CO -0.34 0.00 0.00 -0.25 -0.57 0.00 0.00 179.45 178.29 1o9k n ASP 730 N -4.00 0.00 -4.77 0.86 8.00 -0.17 -4.79 116.55 111.68 1o9k n ASP 730 Ca 0.09 0.41 -0.37 0.00 0.71 0.00 0.00 54.79 55.63 1o9k n ASP 730 Cb 0.62 -0.47 0.00 0.00 -0.02 0.00 0.00 41.12 41.25 1o9k n ASP 730 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1o9k s LEU 731 N -2.94 3.91 0.45 0.64 1.43 -0.38 -4.94 118.68 116.86 1o9k s LEU 731 Ca 0.15 2.32 0.18 0.00 -1.03 0.00 0.00 54.13 55.74 1o9k s LEU 731 Cb 0.18 -4.36 1.07 0.00 0.03 0.00 0.00 46.19 43.12 1o9k s LEU 731 CO 0.48 -1.10 1.98 1.55 0.23 0.00 0.00 176.35 179.50 1o9k h PRO 732 N 1.70 0.00 0.00 1.29 0.13 -1.89 -3.01 132.00 130.22 1o9k h PRO 732 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1o9k h PRO 732 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1o9k h PRO 732 CO 0.59 0.20 -1.23 -2.39 -0.23 0.00 0.00 178.00 174.94 1o9k n HIS 733 N -4.09 0.40 -1.59 1.56 1.44 -1.26 -4.98 115.22 106.71 1o9k n HIS 733 Ca -0.02 0.12 -0.49 0.00 -2.01 0.00 0.00 57.72 55.32 1o9k n HIS 733 Cb 0.27 -0.59 -0.04 0.00 0.12 0.00 0.00 29.99 29.75 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 -2.01 -0.66 -3.10 1.59 0.00 -1.14 -5.00 120.51 110.18 1o9k n ALA 734 Ca 0.00 0.47 -0.25 0.00 0.00 0.00 0.00 53.44 53.65 1o9k n ALA 734 Cb 0.49 -2.05 -0.16 0.00 0.00 0.00 0.00 19.45 17.73 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 -0.09 1.32 0.26 0.00 1.01 -1.26 -4.99 120.40 116.65 1o9k s VAL 735 Ca 0.74 -0.63 -0.03 0.00 0.00 0.00 0.00 61.98 62.07 1o9k s VAL 735 Cb -0.85 -1.15 0.24 0.00 0.00 0.00 0.00 36.38 34.62 1o9k s VAL 735 CO 0.51 0.39 1.84 1.56 0.00 0.00 0.00 175.10 179.40 1o9k h GLN 736 N 6.51 0.95 -0.12 2.72 4.20 -1.97 -1.21 115.11 126.19 1o9k h GLN 736 Ca -0.31 -0.06 0.04 0.00 0.06 0.00 0.00 58.65 58.38 1o9k h GLN 736 Cb 1.18 -0.22 -0.00 0.00 0.30 0.00 0.00 27.48 28.74 1o9k h GLN 736 CO 0.48 0.63 0.39 1.49 -0.67 0.00 0.00 178.83 181.15 1o9k h GLU 737 N 0.98 0.00 0.00 1.46 4.81 -1.95 -1.50 114.58 118.37 1o9k h GLU 737 Ca 0.42 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.63 1o9k h GLU 737 Cb 0.30 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.67 1o9k h GLU 737 CO -0.21 0.00 -0.09 1.15 -0.73 0.00 0.00 179.01 179.12 1o9k h THR 738 N 0.00 0.95 0.00 0.32 2.02 -1.51 -1.37 112.91 113.32 1o9k h THR 738 Ca 0.06 -0.34 0.00 0.00 0.77 0.00 0.00 66.41 66.90 1o9k h THR 738 Cb 0.83 1.19 0.00 0.00 -1.74 0.00 0.00 68.15 68.43 1o9k h THR 738 CO -0.00 0.09 -0.48 2.22 0.37 0.00 0.00 175.52 177.72 1o9k n PHE 739 N -4.25 0.00 0.64 3.16 1.16 -0.60 -4.63 117.46 112.93 1o9k n PHE 739 Ca -0.03 0.00 0.11 0.00 -1.87 0.00 0.00 57.45 55.67 1o9k n PHE 739 Cb 0.17 -0.03 0.05 0.00 -1.61 0.00 0.00 39.48 38.07 1o9k n PHE 739 CO 0.00 0.00 0.00 1.63 -1.87 0.00 0.00 176.76 176.52 1o9k n LYS 740 N -1.25 0.24 -3.34 3.97 5.02 -0.97 -0.05 118.16 121.78 1o9k n LYS 740 Ca 0.01 0.01 -0.24 0.00 -2.02 0.00 0.00 58.31 56.07 1o9k n LYS 740 Cb 0.11 -1.59 -0.09 0.00 -0.02 0.00 0.00 35.03 33.44 1o9k n LYS 740 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1o9k s ARG 741 N -3.16 0.80 0.04 1.97 3.52 -0.53 -3.74 118.95 117.84 1o9k s ARG 741 Ca 0.05 -1.64 0.04 0.00 -0.13 0.00 0.00 55.73 54.05 1o9k s ARG 741 Cb 0.15 -1.14 -0.04 0.00 -1.56 0.00 0.00 34.95 32.36 1o9k s ARG 741 CO 0.79 -1.31 -0.05 0.08 -0.81 0.00 0.00 175.30 173.99 1o9k s VAL 742 N 0.57 3.74 0.13 7.11 1.01 0.38 -4.76 120.40 128.59 1o9k s VAL 742 Ca 0.27 -0.87 -0.31 0.00 0.00 0.00 0.00 61.98 61.07 1o9k s VAL 742 Cb -0.05 -2.68 -0.08 0.00 0.00 0.00 0.00 36.38 33.56 1o9k s VAL 742 CO -0.11 0.29 1.37 -0.22 0.00 0.00 0.00 175.10 176.43 1o9k s LEU 743 N -1.74 4.38 0.00 3.92 0.20 -1.26 -0.71 118.68 123.46 1o9k s LEU 743 Ca 0.20 2.34 0.00 0.00 0.69 0.00 0.00 54.13 57.36 1o9k s LEU 743 Cb -0.11 -3.59 0.00 0.00 -0.43 0.00 0.00 46.19 42.06 1o9k s LEU 743 CO 0.11 -0.63 0.00 -0.38 -0.29 0.00 0.00 176.35 175.16 1o9k n ILE 744 N 3.70 0.00 0.00 6.68 2.08 0.10 -4.90 119.36 127.03 1o9k n ILE 744 Ca 0.10 0.06 0.00 0.00 0.56 0.00 0.00 62.75 63.47 1o9k n ILE 744 Cb 0.42 -0.99 0.00 0.00 -0.75 0.00 0.00 39.64 38.32 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 -1.54 0.00 -0.02 0.38 5.02 -1.25 -4.96 118.16 115.78 1o9k n LYS 745 Ca 0.00 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.26 1o9k n LYS 745 Cb 0.00 -0.13 -0.01 0.00 -0.02 0.00 0.00 35.03 34.87 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 -1.94 0.20 -1.19 1.97 0.00 -1.26 -4.90 120.64 113.52 1o9k n GLU 746 Ca 0.00 0.08 0.02 0.00 0.00 0.00 0.00 57.16 57.26 1o9k n GLU 746 Cb 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 31.44 30.67 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 -3.49 0.00 -3.67 3.44 1.02 -1.26 -5.08 120.64 111.60 1o9k n GLU 747 Ca -0.05 -1.59 -0.37 0.00 -0.02 0.00 0.00 57.16 55.13 1o9k n GLU 747 Cb 0.19 -0.05 -0.10 0.00 -0.02 0.00 0.00 31.44 31.46 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 0.00 4.01 -0.16 3.49 2.56 -1.26 -5.01 118.70 122.33 1o9k s GLU 748 Ca 0.21 -0.30 -0.01 0.00 0.00 0.00 0.00 54.97 54.87 1o9k s GLU 748 Cb 0.25 -3.53 -0.01 0.00 2.00 0.00 0.00 34.13 32.83 1o9k s GLU 748 CO -0.11 -0.00 -0.11 0.71 -0.56 0.00 0.00 175.26 175.19 1o9k s TYR 749 N 1.22 2.86 0.40 5.30 1.51 -1.26 0.02 117.35 127.40 1o9k s TYR 749 Ca 0.07 -0.77 0.03 0.00 -1.01 0.00 0.00 57.07 55.39 1o9k s TYR 749 Cb -0.14 -1.92 -0.01 0.00 -0.11 0.00 0.00 41.96 39.77 1o9k s TYR 749 CO 0.06 -0.33 0.13 -3.47 -1.11 0.00 0.00 175.55 170.82 1o9k n ASP 750 N 3.93 1.42 -4.64 2.29 -0.08 0.11 -4.75 116.55 114.82 1o9k n ASP 750 Ca -0.18 -3.07 -0.30 0.00 -1.51 0.00 0.00 54.79 49.72 1o9k n ASP 750 Cb 0.52 0.92 0.18 0.00 2.34 0.00 0.00 41.12 45.08 1o9k n ASP 750 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 1o9k s SER 751 N -3.41 2.67 0.57 1.67 1.04 -1.25 0.14 113.70 115.14 1o9k s SER 751 Ca 0.18 1.84 0.29 0.00 0.48 0.00 0.00 55.95 58.74 1o9k s SER 751 Cb 0.01 -2.42 1.70 0.00 0.10 0.00 0.00 66.02 65.41 1o9k s SER 751 CO 0.13 -3.20 2.19 -0.29 0.98 0.00 0.00 173.24 173.05 1o9k h ILE 752 N -1.93 0.53 -0.31 -1.02 2.10 -0.76 -2.58 117.51 113.54 1o9k h ILE 752 Ca -0.49 -0.19 -0.04 0.00 1.08 0.00 0.00 64.86 65.22 1o9k h ILE 752 Cb 1.28 1.12 -0.01 0.00 -1.09 0.00 0.00 36.82 38.12 1o9k h ILE 752 CO 0.47 0.04 0.05 0.40 -1.08 0.00 0.00 178.15 178.03 1o9k h ILE 753 N 0.00 1.24 -0.46 2.19 2.04 -1.91 -1.01 117.51 119.60 1o9k h ILE 753 Ca -0.00 -0.82 -0.00 0.00 1.00 0.00 0.00 64.86 65.04 1o9k h ILE 753 Cb 0.12 1.17 -0.02 0.00 -0.74 0.00 0.00 36.82 37.35 1o9k h ILE 753 CO 0.01 0.27 0.27 0.58 0.00 0.00 0.00 178.15 179.28 1o9k h VAL 754 N 0.34 1.14 -0.56 1.67 2.07 -1.82 -1.85 116.25 117.24 1o9k h VAL 754 Ca 0.09 -0.32 0.07 0.00 0.82 0.00 0.00 66.70 67.36 1o9k h VAL 754 Cb 0.35 0.54 -0.06 0.00 -1.52 0.00 0.00 31.29 30.60 1o9k h VAL 754 CO 0.01 0.14 0.25 0.15 0.02 0.00 0.00 177.57 178.14 1o9k h PHE 755 N 0.61 0.45 -0.16 1.57 3.57 -1.38 0.63 116.94 122.22 1o9k h PHE 755 Ca 0.16 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.73 1o9k h PHE 755 Cb -0.01 -0.12 -0.04 0.00 2.79 0.00 0.00 35.95 38.58 1o9k h PHE 755 CO -0.03 0.18 -0.07 -0.92 -2.23 0.00 0.00 178.31 175.23 1o9k h TYR 756 N 0.47 -0.17 -0.07 0.41 3.20 -0.69 0.81 116.97 120.92 1o9k h TYR 756 Ca 0.26 0.02 -0.21 0.00 3.14 0.00 0.00 58.73 61.94 1o9k h TYR 756 Cb 0.24 0.10 0.01 0.00 1.54 0.00 0.00 36.73 38.62 1o9k h TYR 756 CO -0.13 -0.12 -0.76 -0.91 -1.64 0.00 0.00 178.16 174.61 1o9k h ASN 757 N -0.05 0.79 1.25 -2.11 2.35 -0.67 -1.02 115.58 116.12 1o9k h ASN 757 Ca 0.09 -0.69 -0.07 0.00 -0.55 0.00 0.00 56.30 55.09 1o9k h ASN 757 Cb 0.18 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.30 1o9k h ASN 757 CO -0.20 1.36 -0.78 0.28 -1.65 0.00 0.00 177.43 176.44 1o9k h SER 758 N 0.29 0.00 0.00 5.81 0.02 0.23 -3.41 113.55 116.49 1o9k h SER 758 Ca -0.07 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 1o9k h SER 758 Cb 1.41 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.95 1o9k h SER 758 CO 0.15 0.26 -0.02 0.52 -1.14 0.00 0.00 176.83 176.61 1o9k n VAL 759 N -2.95 0.74 0.00 2.27 0.31 0.10 -4.81 118.33 113.99 1o9k n VAL 759 Ca -0.01 0.24 0.00 0.00 -0.01 0.00 0.00 64.34 64.56 1o9k n VAL 759 Cb 0.66 -1.17 0.00 0.00 -0.91 0.00 0.00 33.84 32.42 1o9k n VAL 759 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 1o9k n PHE 760 N -3.48 0.00 -0.33 3.52 7.35 -0.15 -1.77 117.46 122.62 1o9k n PHE 760 Ca 0.00 0.00 0.10 0.00 -0.76 0.00 0.00 57.45 56.79 1o9k n PHE 760 Cb 0.01 -0.36 0.27 0.00 0.35 0.00 0.00 39.48 39.75 1o9k n PHE 760 CO 0.00 0.00 0.00 1.98 -0.76 0.00 0.00 176.76 177.98 1o9k h MET 761 N 0.00 0.69 -0.07 -4.13 4.05 -1.43 -0.68 114.93 113.35 1o9k h MET 761 Ca 0.00 -0.04 0.04 0.00 -0.28 0.00 0.00 59.70 59.42 1o9k h MET 761 Cb 0.00 -0.15 -0.05 0.00 -0.80 0.00 0.00 31.60 30.59 1o9k h MET 761 CO 0.00 0.45 -0.27 1.96 0.23 0.00 0.00 176.91 179.28 1o9k h GLN 762 N 0.71 -0.36 0.00 0.39 1.08 -1.75 1.56 115.11 116.73 1o9k h GLN 762 Ca 0.52 0.02 -0.04 0.00 -1.45 0.00 0.00 58.65 57.71 1o9k h GLN 762 Cb 0.76 0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 28.27 1o9k h GLN 762 CO -0.37 -0.24 -0.18 -0.09 -0.95 0.00 0.00 178.83 176.99 1o9k h ARG 763 N -0.38 0.00 -0.00 1.46 9.65 -0.34 -3.21 114.38 121.55 1o9k h ARG 763 Ca 0.08 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.96 1o9k h ARG 763 Cb 0.50 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.08 1o9k h ARG 763 CO -0.28 0.18 -0.36 1.28 2.80 0.00 0.00 179.97 183.59 1o9k n LEU 764 N -4.04 0.96 -0.32 3.80 4.77 -0.43 -4.78 117.00 116.96 1o9k n LEU 764 Ca -0.02 -0.65 -0.08 0.00 -0.03 0.00 0.00 56.01 55.23 1o9k n LEU 764 Cb 0.26 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.28 1o9k n LEU 764 CO 0.34 0.20 0.45 1.17 -1.33 0.00 0.00 177.39 178.23 1o9k n LYS 765 N -0.68 -0.33 -0.29 3.23 4.81 0.52 -0.15 118.16 125.28 1o9k n LYS 765 Ca 0.04 1.32 0.09 0.00 -0.87 0.00 0.00 58.31 58.89 1o9k n LYS 765 Cb 0.21 -1.94 0.25 0.00 0.02 0.00 0.00 35.03 33.57 1o9k n LYS 765 CO 0.00 0.00 0.00 1.79 1.17 0.00 0.00 177.40 180.36 1o9k h THR 766 N 0.00 0.56 0.12 3.15 1.35 -1.84 -1.78 112.91 114.47 1o9k h THR 766 Ca 0.12 -0.15 -0.28 0.00 -0.55 0.00 0.00 66.41 65.55 1o9k h THR 766 Cb 0.31 0.09 0.03 0.00 -1.73 0.00 0.00 68.15 66.85 1o9k h THR 766 CO -0.71 0.08 -1.17 -1.13 -0.25 0.00 0.00 175.52 172.34 1o9k h ASN 767 N 0.43 0.83 -0.39 5.36 -0.73 -1.28 -3.27 115.58 116.53 1o9k h ASN 767 Ca 0.49 -0.83 0.05 0.00 1.87 0.00 0.00 56.30 57.88 1o9k h ASN 767 Cb 0.85 -0.26 -0.02 0.00 0.27 0.00 0.00 38.32 39.16 1o9k h ASN 767 CO -0.47 1.58 0.26 0.40 -0.37 0.00 0.00 177.43 178.82 1o9k h ILE 768 N 0.19 0.98 0.00 2.57 2.04 0.07 -0.15 117.51 123.21 1o9k h ILE 768 Ca -0.18 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.56 1o9k h ILE 768 Cb 1.86 0.62 0.00 0.00 -0.74 0.00 0.00 36.82 38.56 1o9k h ILE 768 CO 0.23 0.06 0.00 0.18 0.00 0.00 0.00 178.15 178.62 1o9k n LEU 769 N -4.48 0.00 -0.04 1.44 7.99 -0.73 -3.04 117.00 118.14 1o9k n LEU 769 Ca 0.04 0.00 -0.14 0.00 -0.01 0.00 0.00 56.01 55.90 1o9k n LEU 769 Cb 0.21 0.00 -0.11 0.00 -0.11 0.00 0.00 43.42 43.41 1o9k n LEU 769 CO 0.35 0.00 0.48 -0.61 -1.51 0.00 0.00 177.39 176.10 1o9k h GLN 770 N 0.00 0.06 0.00 3.23 4.15 -1.14 -2.93 115.11 118.47 1o9k h GLN 770 Ca 0.00 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.36 1o9k h GLN 770 Cb 0.00 0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.70 1o9k h GLN 770 CO 0.00 0.80 0.00 0.66 -1.93 0.00 0.00 178.83 178.36 1o9k n TYR 771 N -4.66 0.35 0.29 3.99 4.01 -1.17 -2.14 117.16 117.83 1o9k n TYR 771 Ca -0.09 0.16 0.15 0.00 -0.16 0.00 0.00 57.90 57.95 1o9k n TYR 771 Cb 0.41 -0.75 0.87 0.00 -0.31 0.00 0.00 39.34 39.55 1o9k n TYR 771 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1o9k h ALA 772 N 2.20 1.38 -2.38 -0.72 0.00 -1.58 -3.43 119.26 114.74 1o9k h ALA 772 Ca 0.00 -0.04 -0.49 0.00 0.00 0.00 0.00 54.91 54.38 1o9k h ALA 772 Cb 0.15 -0.01 0.13 0.00 0.00 0.00 0.00 17.79 18.06 1o9k h ALA 772 CO 0.00 0.06 0.30 0.45 0.00 0.00 0.00 179.25 180.06 1o9k s SER 773 N -6.07 4.06 0.00 0.00 0.15 -0.91 -4.96 113.70 105.97 1o9k s SER 773 Ca -0.04 1.40 0.25 0.00 0.70 0.00 0.00 55.95 58.26 1o9k s SER 773 Cb 0.14 -2.11 0.41 0.00 -1.71 0.00 0.00 66.02 62.75 1o9k s SER 773 CO 0.55 -2.26 1.34 0.35 1.20 0.00 0.00 173.24 174.43 1o9k n THR 774 N -3.63 0.00 -0.97 6.45 -2.24 -1.26 -4.94 114.28 107.69 1o9k n THR 774 Ca 0.07 -0.09 -0.29 0.00 -2.27 0.00 0.00 64.05 61.47 1o9k n THR 774 Cb 0.56 0.58 0.21 0.00 -2.10 0.00 0.00 70.33 69.58 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 -2.72 -0.29 0.01 -0.78 1.70 -1.26 -4.96 118.95 110.64 1o9k s ARG 775 Ca 0.17 0.50 -0.30 0.00 -0.47 0.00 0.00 55.73 55.63 1o9k s ARG 775 Cb 0.18 -1.65 -0.05 0.00 -0.57 0.00 0.00 34.95 32.85 1o9k s ARG 775 CO 0.63 -3.22 1.32 -1.25 -1.08 0.00 0.00 175.30 171.71 1o9k s PRO 776 N -4.88 4.33 0.16 3.89 0.04 -1.26 -5.03 135.00 132.25 1o9k s PRO 776 Ca 0.67 1.88 -0.22 0.00 0.04 0.00 0.00 61.00 63.37 1o9k s PRO 776 Cb -0.19 -3.50 -0.08 0.00 0.04 0.00 0.00 34.50 30.77 1o9k s PRO 776 CO 0.59 -0.48 0.71 -1.25 0.04 0.00 0.00 177.00 176.61 1o9k s PRO 777 N 2.01 4.39 -1.02 0.56 0.04 -1.26 -5.00 135.00 134.72 1o9k s PRO 777 Ca 0.61 0.97 -0.23 0.00 0.04 0.00 0.00 61.00 62.40 1o9k s PRO 777 Cb -0.30 -3.15 -0.00 0.00 0.04 0.00 0.00 34.50 31.08 1o9k s PRO 777 CO 0.26 0.54 1.73 0.99 0.04 0.00 0.00 177.00 180.56 1o9k s THR 778 N -1.24 3.71 0.76 1.26 2.01 -1.26 -4.97 115.64 115.91 1o9k s THR 778 Ca 0.36 -0.74 -0.11 0.00 0.31 0.00 0.00 61.69 61.51 1o9k s THR 778 Cb -0.20 -4.60 0.05 0.00 0.01 0.00 0.00 72.50 67.75 1o9k s THR 778 CO 0.23 -1.45 1.09 -0.76 -0.69 0.00 0.00 174.62 173.03 1o9k s LEU 779 N 7.57 3.05 0.03 4.42 1.43 -1.26 -5.06 118.68 128.86 1o9k s LEU 779 Ca 0.59 1.79 0.01 0.00 -1.03 0.00 0.00 54.13 55.48 1o9k s LEU 779 Cb -0.02 -4.52 -0.04 0.00 0.03 0.00 0.00 46.19 41.64 1o9k s LEU 779 CO -0.02 -1.92 0.09 -0.44 0.23 0.00 0.00 176.35 174.29 1o9k s SER 780 N -3.46 5.67 0.20 2.29 0.01 -1.26 -5.08 113.70 112.06 1o9k s SER 780 Ca 0.61 0.10 -0.31 0.00 1.31 0.00 0.00 55.95 57.65 1o9k s SER 780 Cb -0.17 -1.60 -0.11 0.00 0.21 0.00 0.00 66.02 64.36 1o9k s SER 780 CO 0.56 0.23 1.59 -2.84 0.41 0.00 0.00 173.24 173.19 1o9k s PRO 781 N -2.00 4.19 0.23 12.44 0.02 -1.26 -4.84 135.00 143.78 1o9k s PRO 781 Ca 0.26 2.44 -0.30 0.00 0.02 0.00 0.00 61.00 63.42 1o9k s PRO 781 Cb -0.12 -3.12 -0.09 0.00 0.02 0.00 0.00 34.50 31.19 1o9k s PRO 781 CO 0.18 -0.62 1.30 0.42 -0.33 0.00 0.00 177.00 177.94 1o9k s ILE 782 N 0.92 3.10 0.61 2.83 -1.09 -1.26 -4.96 121.20 121.35 1o9k s ILE 782 Ca 0.69 0.96 -0.19 0.00 -2.23 0.00 0.00 60.65 59.88 1o9k s ILE 782 Cb -0.45 -3.61 -0.03 0.00 -1.58 0.00 0.00 42.46 36.79 1o9k s ILE 782 CO 0.34 0.17 1.29 -2.16 -1.23 0.00 0.00 174.94 173.35 1o9k s PRO 783 N -0.56 2.81 0.00 2.79 0.04 -1.26 -4.98 135.00 133.84 1o9k s PRO 783 Ca 0.54 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.62 1o9k s PRO 783 Cb -0.37 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.20 1o9k s PRO 783 CO 0.42 -1.39 0.00 -2.39 0.04 0.00 0.00 177.00 173.68 1o9k n HIS 784 N -1.60 0.00 -2.80 0.56 1.44 -1.26 -4.92 115.22 106.63 1o9k n HIS 784 Ca 0.14 0.00 -0.04 0.00 -2.01 0.00 0.00 57.72 55.81 1o9k n HIS 784 Cb 0.48 0.00 0.02 0.00 0.12 0.00 0.00 29.99 30.60 1o9k n HIS 784 CO 0.00 0.00 0.00 -0.89 -2.81 0.00 0.00 176.34 172.64 1o9k n ILE 785 N 0.00 -8.17 0.00 0.61 5.41 -1.26 -5.04 119.36 110.91 1o9k n ILE 785 Ca 0.00 -0.47 0.00 0.00 1.00 0.00 0.00 62.75 63.28 1o9k n ILE 785 Cb 0.00 -6.15 0.00 0.00 -0.71 0.00 0.00 39.64 32.78 1o9k n ILE 785 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 1o9k n PRO 786 N -2.01 0.00 0.00 0.38 -0.04 -1.26 -5.25 135.00 126.83 1o9k n PRO 786 Ca -0.02 0.00 0.15 0.00 -0.04 0.00 0.00 63.50 63.59 1o9k n PRO 786 Cb 0.53 0.00 0.86 0.00 -0.04 0.00 0.00 33.50 34.85 1o9k n PRO 786 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35