#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p3o s ARG 640 N 0.00 0.25 0.40 1.57 3.52 -1.26 -5.14 118.95 118.29 1p3o s ARG 640 Ca 0.00 0.82 -0.26 0.00 -0.13 0.00 0.00 55.73 56.16 1p3o s ARG 640 Cb 0.00 0.01 -0.09 0.00 -1.56 0.00 0.00 34.95 33.31 1p3o s ARG 640 CO 0.00 -0.33 1.24 0.71 -0.81 0.00 0.00 175.30 176.11 1p3o s TYR 641 N 2.51 2.95 0.37 5.12 1.51 -1.26 -4.98 117.35 123.57 1p3o s TYR 641 Ca 0.02 1.48 -0.27 0.00 -1.01 0.00 0.00 57.07 57.29 1p3o s TYR 641 Cb -0.13 -3.54 -0.09 0.00 -0.11 0.00 0.00 41.96 38.09 1p3o s TYR 641 CO -0.11 -1.72 1.23 1.03 -1.11 0.00 0.00 175.55 174.87 1p3o s ARG 642 N -2.24 4.16 -0.23 -0.62 0.52 -1.26 -4.89 118.95 114.39 1p3o s ARG 642 Ca 0.57 2.01 -0.41 0.00 -0.52 0.00 0.00 55.73 57.38 1p3o s ARG 642 Cb -0.35 -2.85 -0.18 0.00 0.52 0.00 0.00 34.95 32.10 1p3o s ARG 642 CO 0.44 -0.28 1.55 -0.35 0.02 0.00 0.00 175.30 176.68 1p3o n PRO 643 N 0.38 0.71 0.00 3.54 -0.04 -1.26 -1.98 135.00 136.35 1p3o n PRO 643 Ca 0.03 0.26 0.00 0.00 -0.04 0.00 0.00 63.50 63.75 1p3o n PRO 643 Cb 0.44 -1.87 0.00 0.00 -0.04 0.00 0.00 33.50 32.04 1p3o n PRO 643 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1p3o n GLY 644 N 3.49 1.65 0.14 0.55 0.00 -1.26 -4.95 105.19 104.81 1p3o n GLY 644 Ca 0.25 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.10 1p3o n GLY 644 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1p3o h THR 645 N 0.00 1.44 -0.18 2.61 2.02 -1.76 -2.40 112.91 114.63 1p3o h THR 645 Ca 0.00 -2.08 -0.14 0.00 0.77 0.00 0.00 66.41 64.96 1p3o h THR 645 Cb 0.00 2.62 -0.01 0.00 -1.74 0.00 0.00 68.15 69.02 1p3o h THR 645 CO 0.00 0.60 -0.47 0.58 0.37 0.00 0.00 175.52 176.60 1p3o h VAL 646 N -0.14 1.32 -0.12 3.16 2.07 -1.93 -1.23 116.25 119.38 1p3o h VAL 646 Ca -0.07 -1.68 0.03 0.00 0.82 0.00 0.00 66.70 65.80 1p3o h VAL 646 Cb 1.30 1.69 -0.04 0.00 -1.52 0.00 0.00 31.29 32.73 1p3o h VAL 646 CO 0.12 0.52 -0.10 0.00 0.02 0.00 0.00 177.57 178.13 1p3o h ALA 647 N 1.11 -0.00 -0.64 1.67 0.00 -1.92 0.35 119.26 119.82 1p3o h ALA 647 Ca 0.02 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1p3o h ALA 647 Cb 0.97 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.94 1p3o h ALA 647 CO 0.09 -0.55 0.25 -0.07 0.00 0.00 0.00 179.25 178.96 1p3o h LEU 648 N -0.11 0.87 -1.03 0.00 3.38 -1.26 -0.74 115.31 116.42 1p3o h LEU 648 Ca 0.08 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1p3o h LEU 648 Cb 0.23 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.71 1p3o h LEU 648 CO -0.19 0.79 0.58 -0.09 0.09 0.00 0.00 178.44 179.62 1p3o h ARG 649 N 0.93 1.24 -0.11 1.13 2.43 0.03 -1.57 114.38 118.46 1p3o h ARG 649 Ca 0.22 -0.10 -0.15 0.00 -0.81 0.00 0.00 59.98 59.14 1p3o h ARG 649 Cb 0.20 -0.27 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 1p3o h ARG 649 CO -0.02 0.85 -0.57 0.93 -1.51 0.00 0.00 179.97 179.65 1p3o h GLU 650 N 1.27 0.33 0.20 0.20 5.08 0.61 -0.24 114.58 122.02 1p3o h GLU 650 Ca 0.33 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 1p3o h GLU 650 Cb -0.09 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.19 1p3o h GLU 650 CO -0.07 0.81 -0.10 0.82 -1.00 0.00 0.00 179.01 179.47 1p3o h ILE 651 N 0.25 0.88 -0.86 3.13 2.04 -0.71 0.14 117.51 122.39 1p3o h ILE 651 Ca 0.00 -0.44 0.06 0.00 1.00 0.00 0.00 64.86 65.48 1p3o h ILE 651 Cb 1.07 1.14 -0.05 0.00 -0.74 0.00 0.00 36.82 38.24 1p3o h ILE 651 CO 0.09 0.10 0.56 0.03 0.00 0.00 0.00 178.15 178.93 1p3o h ARG 652 N -0.49 0.95 0.72 2.37 3.08 -1.21 0.56 114.38 120.36 1p3o h ARG 652 Ca -0.03 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 59.93 1p3o h ARG 652 Cb 0.37 -0.21 0.01 0.00 0.08 0.00 0.00 29.97 30.21 1p3o h ARG 652 CO 0.05 0.63 -0.35 -0.09 -1.07 0.00 0.00 179.97 179.14 1p3o h ARG 653 N 0.98 -0.94 0.00 0.04 2.43 -0.58 -2.77 114.38 113.55 1p3o h ARG 653 Ca 0.36 0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.56 1p3o h ARG 653 Cb 0.17 0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.93 1p3o h ARG 653 CO -0.13 -0.61 -0.19 1.88 -1.51 0.00 0.00 179.97 179.41 1p3o h TYR 654 N -1.01 0.00 0.00 2.20 0.99 -0.69 -2.78 116.97 115.68 1p3o h TYR 654 Ca -0.10 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.63 1p3o h TYR 654 Cb 0.75 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.48 1p3o h TYR 654 CO -0.02 0.19 0.00 1.96 -0.00 0.00 0.00 178.16 180.29 1p3o h GLN 655 N 0.00 0.00 0.00 4.88 4.20 -0.89 -2.91 115.11 120.39 1p3o h GLN 655 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1p3o h GLN 655 Cb 0.84 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.62 1p3o h GLN 655 CO 0.02 0.00 -0.61 -0.22 -0.67 0.00 0.00 178.83 177.36 1p3o h LYS 656 N 0.00 0.00 -5.60 1.46 3.64 -1.21 -3.48 116.57 111.38 1p3o h LYS 656 Ca 0.00 0.00 -0.63 0.00 -1.27 0.00 0.00 60.65 58.75 1p3o h LYS 656 Cb 0.81 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 32.55 1p3o h LYS 656 CO 0.00 0.00 -0.39 -1.54 -2.27 0.00 0.00 179.45 175.25 1p3o s SER 657 N -4.84 4.41 0.00 4.20 1.04 -1.10 -5.08 113.70 112.33 1p3o s SER 657 Ca 0.05 -1.44 0.00 0.00 0.48 0.00 0.00 55.95 55.04 1p3o s SER 657 Cb 0.11 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.72 1p3o s SER 657 CO 0.72 -1.01 0.29 0.35 0.98 0.00 0.00 173.24 174.57 1p3o n THR 658 N -1.55 0.06 -1.64 2.02 -2.24 -1.26 -4.96 114.28 104.71 1p3o n THR 658 Ca -0.10 -0.24 -0.34 0.00 -2.27 0.00 0.00 64.05 61.10 1p3o n THR 658 Cb 0.65 1.46 0.07 0.00 -2.10 0.00 0.00 70.33 70.41 1p3o n THR 658 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1p3o s GLU 659 N -0.06 2.49 0.70 -0.78 4.04 -1.26 -4.96 118.70 118.86 1p3o s GLU 659 Ca 0.00 1.67 -0.14 0.00 0.04 0.00 0.00 54.97 56.54 1p3o s GLU 659 Cb 0.00 -1.89 0.02 0.00 0.02 0.00 0.00 34.13 32.29 1p3o s GLU 659 CO 0.00 -1.55 1.13 -0.51 -1.84 0.00 0.00 175.26 172.49 1p3o s LEU 660 N -4.86 3.30 0.00 1.83 1.43 -1.26 -4.95 118.68 114.17 1p3o s LEU 660 Ca 0.73 2.06 0.10 0.00 -1.03 0.00 0.00 54.13 55.99 1p3o s LEU 660 Cb -0.27 -4.56 0.03 0.00 0.03 0.00 0.00 46.19 41.43 1p3o s LEU 660 CO 0.42 -1.88 0.72 0.18 0.23 0.00 0.00 176.35 176.02 1p3o n LEU 661 N -2.70 1.50 -4.87 1.79 4.77 -1.26 -4.95 117.00 111.28 1p3o n LEU 661 Ca 0.11 -0.86 -0.37 0.00 -0.03 0.00 0.00 56.01 54.86 1p3o n LEU 661 Cb 0.52 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.55 1p3o n LEU 661 CO 0.48 0.29 -0.17 -0.63 -1.33 0.00 0.00 177.39 176.04 1p3o s ILE 662 N -1.16 5.50 0.28 -0.08 1.01 -1.26 -5.05 121.20 120.44 1p3o s ILE 662 Ca 0.10 0.21 -0.30 0.00 0.00 0.00 0.00 60.65 60.66 1p3o s ILE 662 Cb 0.08 -3.41 -0.12 0.00 0.01 0.00 0.00 42.46 39.03 1p3o s ILE 662 CO 0.20 0.60 1.54 0.54 0.00 0.00 0.00 174.94 177.83 1p3o n ARG 663 N 2.13 2.51 0.50 2.79 5.12 -1.26 -4.93 116.66 123.52 1p3o n ARG 663 Ca -0.20 0.89 -0.20 0.00 -1.93 0.00 0.00 57.85 56.42 1p3o n ARG 663 Cb 0.55 -2.64 -0.10 0.00 -1.16 0.00 0.00 32.46 29.11 1p3o n ARG 663 CO 0.00 0.00 0.00 0.87 -1.93 0.00 0.00 177.63 176.57 1p3o h LYS 664 N 4.59 -1.24 -0.28 5.56 1.57 -1.98 -2.60 116.57 122.19 1p3o h LYS 664 Ca -0.46 0.08 0.06 0.00 -1.87 0.00 0.00 60.65 58.46 1p3o h LYS 664 Cb 1.24 0.28 -0.06 0.00 0.08 0.00 0.00 32.23 33.77 1p3o h LYS 664 CO 0.78 -0.83 -0.11 1.25 -0.57 0.00 0.00 179.45 179.98 1p3o h LEU 665 N -1.29 -0.37 -0.77 2.94 5.85 -2.00 -1.09 115.31 118.59 1p3o h LEU 665 Ca -0.13 0.10 0.12 0.00 0.84 0.00 0.00 57.88 58.81 1p3o h LEU 665 Cb 1.00 0.22 -0.08 0.00 0.37 0.00 0.00 40.66 42.16 1p3o h LEU 665 CO 0.19 -0.14 0.37 -0.65 -0.34 0.00 0.00 178.44 177.88 1p3o h PRO 666 N -0.06 0.57 -0.78 5.25 0.11 -1.96 0.61 132.00 135.74 1p3o h PRO 666 Ca 0.14 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 66.22 1p3o h PRO 666 Cb 0.27 -0.13 -0.04 0.00 0.11 0.00 0.00 31.00 31.21 1p3o h PRO 666 CO -0.32 0.38 0.51 0.35 -0.21 0.00 0.00 178.00 178.71 1p3o h PHE 667 N 0.59 0.99 -0.85 0.65 3.57 -0.90 -2.15 116.94 118.85 1p3o h PHE 667 Ca 0.40 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.94 1p3o h PHE 667 Cb 0.51 -0.33 -0.05 0.00 2.79 0.00 0.00 35.95 38.87 1p3o h PHE 667 CO -0.11 0.63 0.55 0.37 -2.23 0.00 0.00 178.31 177.52 1p3o h GLN 668 N 1.06 1.07 -0.75 1.11 4.15 0.28 -1.85 115.11 120.18 1p3o h GLN 668 Ca 0.28 -0.06 -0.03 0.00 0.77 0.00 0.00 58.65 59.62 1p3o h GLN 668 Cb -0.11 -0.24 -0.04 0.00 0.21 0.00 0.00 27.48 27.31 1p3o h GLN 668 CO -0.06 0.71 0.37 0.00 -1.93 0.00 0.00 178.83 177.91 1p3o h ARG 669 N 1.10 1.06 -0.32 1.69 3.08 -0.77 -0.54 114.38 119.69 1p3o h ARG 669 Ca 0.33 -0.14 -0.10 0.00 0.07 0.00 0.00 59.98 60.14 1p3o h ARG 669 Cb -0.06 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 29.78 1p3o h ARG 669 CO -0.09 0.81 -0.21 1.25 -1.07 0.00 0.00 179.97 180.67 1p3o h LEU 670 N 1.06 0.61 -0.03 3.04 5.85 -0.73 0.55 115.31 125.65 1p3o h LEU 670 Ca 0.26 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 1p3o h LEU 670 Cb 0.10 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 40.96 1p3o h LEU 670 CO -0.03 0.81 -0.01 0.58 -0.34 0.00 0.00 178.44 179.45 1p3o h VAL 671 N 0.54 1.30 -0.79 1.05 2.07 -0.91 -1.40 116.25 118.11 1p3o h VAL 671 Ca 0.08 -0.91 0.00 0.00 0.82 0.00 0.00 66.70 66.69 1p3o h VAL 671 Cb 0.65 1.85 -0.04 0.00 -1.52 0.00 0.00 31.29 32.23 1p3o h VAL 671 CO 0.05 0.24 0.49 0.03 0.02 0.00 0.00 177.57 178.40 1p3o h ARG 672 N -0.30 1.06 0.17 1.57 3.08 -0.90 0.11 114.38 119.16 1p3o h ARG 672 Ca 0.01 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 59.97 1p3o h ARG 672 Cb 0.40 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 30.22 1p3o h ARG 672 CO 0.00 0.73 -0.08 1.49 -1.07 0.00 0.00 179.97 181.04 1p3o h GLU 673 N 1.08 -0.22 -0.46 0.04 4.81 -0.77 0.57 114.58 119.62 1p3o h GLU 673 Ca 0.29 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.53 1p3o h GLU 673 Cb -0.07 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.33 1p3o h GLU 673 CO -0.06 0.11 0.30 0.82 -0.73 0.00 0.00 179.01 179.46 1p3o h ILE 674 N -0.58 1.12 -0.08 2.32 2.04 -1.07 -1.99 117.51 119.27 1p3o h ILE 674 Ca -0.02 -0.23 -0.03 0.00 1.00 0.00 0.00 64.86 65.58 1p3o h ILE 674 Cb 0.43 0.45 -0.00 0.00 -0.74 0.00 0.00 36.82 36.96 1p3o h ILE 674 CO 0.04 0.12 -0.08 0.00 0.00 0.00 0.00 178.15 178.23 1p3o h ALA 675 N 1.71 0.11 -0.92 1.87 0.00 -0.82 -3.06 119.26 118.14 1p3o h ALA 675 Ca 0.17 -0.29 0.08 0.00 0.00 0.00 0.00 54.91 54.87 1p3o h ALA 675 Cb -0.06 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.64 1p3o h ALA 675 CO -0.04 -0.07 0.60 0.37 0.00 0.00 0.00 179.25 180.11 1p3o h GLN 676 N -0.24 0.97 0.00 0.00 4.15 -0.57 0.62 115.11 120.05 1p3o h GLN 676 Ca 0.01 -0.06 -0.00 0.00 0.77 0.00 0.00 58.65 59.37 1p3o h GLN 676 Cb 0.59 -0.22 -0.00 0.00 0.21 0.00 0.00 27.48 28.06 1p3o h GLN 676 CO 0.02 0.64 -0.02 -0.44 -1.93 0.00 0.00 178.83 177.11 1p3o h ASP 677 N 1.00 0.00 0.17 -0.69 3.32 -1.28 -2.82 116.42 116.13 1p3o h ASP 677 Ca 0.41 0.00 -0.36 0.00 0.02 0.00 0.00 57.03 57.11 1p3o h ASP 677 Cb 0.28 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.81 1p3o h ASP 677 CO -0.17 0.02 -1.96 0.49 -1.72 0.00 0.00 179.24 175.89 1p3o n PHE 678 N -3.18 1.22 -3.66 4.55 3.01 0.19 -4.93 117.46 114.67 1p3o n PHE 678 Ca -0.02 0.28 -0.07 0.00 1.01 0.00 0.00 57.45 58.65 1p3o n PHE 678 Cb 0.17 -1.17 -0.08 0.00 -0.01 0.00 0.00 39.48 38.39 1p3o n PHE 678 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 1p3o s LYS 679 N -2.56 0.57 0.82 -1.08 2.36 0.25 -5.12 119.74 114.98 1p3o s LYS 679 Ca -0.20 1.15 -0.12 0.00 -2.55 0.00 0.00 55.97 54.25 1p3o s LYS 679 Cb 0.07 0.25 0.08 0.00 -1.05 0.00 0.00 37.83 37.18 1p3o s LYS 679 CO 0.78 -0.17 1.12 0.95 1.55 0.00 0.00 175.35 179.58 1p3o s THR 680 N 1.90 2.68 -0.57 3.43 -4.23 -1.23 -3.89 115.64 113.73 1p3o s THR 680 Ca -0.08 0.22 -0.19 0.00 -1.18 0.00 0.00 61.69 60.46 1p3o s THR 680 Cb -0.08 -3.04 0.03 0.00 1.34 0.00 0.00 72.50 70.75 1p3o s THR 680 CO -0.17 -0.29 0.64 0.47 -0.54 0.00 0.00 174.62 174.73 1p3o n ASP 681 N -3.45 -6.39 -4.05 3.99 9.92 -1.26 -5.02 116.55 110.29 1p3o n ASP 681 Ca 0.07 -0.12 -0.19 0.00 -0.53 0.00 0.00 54.79 54.02 1p3o n ASP 681 Cb 0.58 -3.24 -0.14 0.00 -0.64 0.00 0.00 41.12 37.68 1p3o n ASP 681 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1p3o s LEU 682 N -3.25 2.07 0.11 0.64 1.43 -1.26 -5.15 118.68 113.27 1p3o s LEU 682 Ca 0.21 -0.26 0.08 0.00 -1.03 0.00 0.00 54.13 53.13 1p3o s LEU 682 Cb -0.03 -0.48 -0.04 0.00 0.03 0.00 0.00 46.19 45.67 1p3o s LEU 682 CO 0.83 0.07 -0.12 -0.13 0.23 0.00 0.00 176.35 177.23 1p3o s ARG 683 N -0.52 2.02 -0.10 1.70 0.52 -1.26 -5.08 118.95 116.23 1p3o s ARG 683 Ca 0.02 -1.09 0.03 0.00 -0.52 0.00 0.00 55.73 54.17 1p3o s ARG 683 Cb -0.05 -2.24 0.01 0.00 0.52 0.00 0.00 34.95 33.19 1p3o s ARG 683 CO 0.00 0.49 -0.20 -0.06 0.02 0.00 0.00 175.30 175.56 1p3o s PHE 684 N -1.22 2.21 0.38 -0.53 0.40 -1.26 -5.10 117.98 112.85 1p3o s PHE 684 Ca 0.21 -0.94 -0.27 0.00 -0.60 0.00 0.00 56.93 55.33 1p3o s PHE 684 Cb -0.11 -1.52 -0.09 0.00 0.51 0.00 0.00 43.02 41.81 1p3o s PHE 684 CO 0.13 -0.42 1.30 -0.65 0.70 0.00 0.00 175.22 176.28 1p3o s GLN 685 N 0.57 4.12 0.24 0.44 -0.21 -1.26 -4.87 119.66 118.68 1p3o s GLN 685 Ca -0.15 2.17 -0.05 0.00 0.02 0.00 0.00 55.36 57.35 1p3o s GLN 685 Cb -0.17 -2.87 0.37 0.00 1.00 0.00 0.00 33.01 31.34 1p3o s GLN 685 CO 0.05 -0.37 1.80 0.66 -2.12 0.00 0.00 175.29 175.31 1p3o h SER 686 N 2.93 0.62 0.11 5.90 4.64 -2.01 -0.54 113.55 125.20 1p3o h SER 686 Ca -0.49 0.05 -0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1p3o h SER 686 Cb 1.24 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1p3o h SER 686 CO 0.64 0.36 -0.02 0.77 -0.87 0.00 0.00 176.83 177.70 1p3o h SER 687 N 0.74 0.00 -0.19 4.97 4.64 -1.99 -0.51 113.55 121.22 1p3o h SER 687 Ca 0.38 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.51 1p3o h SER 687 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 1p3o h SER 687 CO -0.24 0.02 -0.59 0.00 -0.87 0.00 0.00 176.83 175.15 1p3o h ALA 688 N 1.98 0.50 -0.28 5.18 0.00 -1.46 0.12 119.26 125.31 1p3o h ALA 688 Ca -0.00 -0.53 -0.14 0.00 0.00 0.00 0.00 54.91 54.24 1p3o h ALA 688 Cb 0.08 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1p3o h ALA 688 CO 0.00 0.69 -0.42 0.28 0.00 0.00 0.00 179.25 179.80 1p3o h VAL 689 N 0.59 1.29 -0.21 0.00 2.07 -0.94 -1.98 116.25 117.08 1p3o h VAL 689 Ca 0.00 -1.59 -0.15 0.00 0.82 0.00 0.00 66.70 65.78 1p3o h VAL 689 Cb 1.18 1.53 -0.01 0.00 -1.52 0.00 0.00 31.29 32.47 1p3o h VAL 689 CO 0.12 0.51 -0.50 0.24 0.02 0.00 0.00 177.57 177.97 1p3o h MET 690 N 0.55 0.58 -0.67 1.57 2.86 -1.23 -1.85 114.93 116.74 1p3o h MET 690 Ca 0.04 -0.34 -0.00 0.00 -2.06 0.00 0.00 59.70 57.34 1p3o h MET 690 Cb 0.95 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.61 1p3o h MET 690 CO 0.09 0.95 0.41 0.00 1.06 0.00 0.00 176.91 179.42 1p3o h ALA 691 N 0.99 0.85 -0.12 6.32 0.00 -0.59 0.61 119.26 127.33 1p3o h ALA 691 Ca 0.02 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 1p3o h ALA 691 Cb 1.03 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1p3o h ALA 691 CO 0.10 0.32 -0.22 -0.07 0.00 0.00 0.00 179.25 179.37 1p3o h LEU 692 N 0.91 0.19 -0.10 0.00 3.38 -1.09 -1.97 115.31 116.63 1p3o h LEU 692 Ca 0.24 -0.05 -0.24 0.00 0.09 0.00 0.00 57.88 57.92 1p3o h LEU 692 Cb -0.05 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 40.66 1p3o h LEU 692 CO -0.05 0.43 -0.97 -0.61 0.09 0.00 0.00 178.44 177.33 1p3o h GLN 693 N 0.18 0.58 -0.62 1.13 4.15 -0.63 -1.35 115.11 118.55 1p3o h GLN 693 Ca 0.03 -0.60 -0.06 0.00 0.77 0.00 0.00 58.65 58.79 1p3o h GLN 693 Cb 0.50 0.17 -0.03 0.00 0.21 0.00 0.00 27.48 28.33 1p3o h GLN 693 CO 0.03 1.22 0.16 0.93 -1.93 0.00 0.00 178.83 179.24 1p3o h GLU 694 N 0.34 0.96 -0.12 1.69 4.39 -0.66 -2.06 114.58 119.12 1p3o h GLU 694 Ca -0.10 -0.21 -0.18 0.00 0.34 0.00 0.00 59.36 59.21 1p3o h GLU 694 Cb 1.61 -0.14 0.01 0.00 -0.10 0.00 0.00 28.75 30.13 1p3o h GLU 694 CO 0.18 0.85 -0.62 0.00 -1.16 0.00 0.00 179.01 178.27 1p3o h ALA 695 N 1.24 0.23 0.18 3.43 0.00 -1.35 -2.39 119.26 120.62 1p3o h ALA 695 Ca 0.20 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1p3o h ALA 695 Cb 0.32 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1p3o h ALA 695 CO -0.00 0.50 -0.18 0.77 0.00 0.00 0.00 179.25 180.34 1p3o h SER 696 N 0.28 -0.47 0.06 0.00 0.02 -1.04 0.39 113.55 112.78 1p3o h SER 696 Ca -0.04 0.04 -0.07 0.00 -0.84 0.00 0.00 61.79 60.88 1p3o h SER 696 Cb 1.26 0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.95 1p3o h SER 696 CO 0.13 -0.27 -0.21 -0.33 -1.14 0.00 0.00 176.83 175.01 1p3o h GLU 697 N -0.39 0.27 -0.66 3.45 5.08 -1.47 0.12 114.58 120.98 1p3o h GLU 697 Ca 0.00 -0.08 -0.07 0.00 -1.00 0.00 0.00 59.36 58.20 1p3o h GLU 697 Cb 0.37 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.56 1p3o h GLU 697 CO -0.04 0.48 0.13 0.00 -1.00 0.00 0.00 179.01 178.58 1p3o h ALA 698 N 1.53 0.87 -0.04 3.43 0.00 -0.91 -0.03 119.26 124.11 1p3o h ALA 698 Ca 0.04 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1p3o h ALA 698 Cb 0.52 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1p3o h ALA 698 CO 0.04 0.62 -0.01 -0.92 0.00 0.00 0.00 179.25 178.98 1p3o h TYR 699 N 1.00 0.10 -0.56 0.00 3.20 -0.29 -2.47 116.97 117.95 1p3o h TYR 699 Ca 0.20 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.03 1p3o h TYR 699 Cb 0.41 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.63 1p3o h TYR 699 CO 0.03 0.43 0.27 -0.07 -1.64 0.00 0.00 178.16 177.18 1p3o h LEU 700 N -0.26 0.71 -0.42 2.82 3.38 -0.61 0.78 115.31 121.70 1p3o h LEU 700 Ca 0.01 -0.07 -0.13 0.00 0.09 0.00 0.00 57.88 57.78 1p3o h LEU 700 Cb 0.40 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1p3o h LEU 700 CO 0.00 0.60 -0.25 0.58 0.09 0.00 0.00 178.44 179.47 1p3o h VAL 701 N 0.79 1.28 -0.52 1.22 2.07 -1.00 -1.42 116.25 118.67 1p3o h VAL 701 Ca 0.20 -1.41 -0.08 0.00 0.82 0.00 0.00 66.70 66.22 1p3o h VAL 701 Cb 0.09 1.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 1p3o h VAL 701 CO -0.03 0.48 -0.02 0.00 0.02 0.00 0.00 177.57 178.02 1p3o h ALA 702 N 0.82 0.99 -0.64 1.67 0.00 -0.92 -2.50 119.26 118.68 1p3o h ALA 702 Ca 0.09 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.63 1p3o h ALA 702 Cb 0.83 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 1p3o h ALA 702 CO 0.07 0.61 0.10 1.25 0.00 0.00 0.00 179.25 181.29 1p3o h LEU 703 N 0.82 0.99 -0.89 0.00 5.85 -0.65 -2.94 115.31 118.49 1p3o h LEU 703 Ca 0.15 -0.23 -0.10 0.00 0.84 0.00 0.00 57.88 58.55 1p3o h LEU 703 Cb 0.51 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 1p3o h LEU 703 CO 0.03 0.99 -0.24 -0.26 -0.34 0.00 0.00 178.44 178.61 1p3o h PHE 704 N 0.98 0.61 0.16 1.25 0.05 -0.92 -0.12 116.94 118.96 1p3o h PHE 704 Ca 0.20 -0.13 -0.00 0.00 3.82 0.00 0.00 57.97 61.85 1p3o h PHE 704 Cb 0.42 -0.15 -0.01 0.00 2.00 0.00 0.00 35.95 38.21 1p3o h PHE 704 CO 0.03 0.74 -0.12 0.93 -0.18 0.00 0.00 178.31 179.71 1p3o h GLU 705 N 0.48 -0.28 -0.82 1.51 5.08 -1.32 0.53 114.58 119.77 1p3o h GLU 705 Ca 0.07 0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.52 1p3o h GLU 705 Cb 0.67 0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.92 1p3o h GLU 705 CO 0.05 -0.18 0.49 -0.44 -1.00 0.00 0.00 179.01 177.93 1p3o h ASP 706 N -0.29 0.76 -0.46 1.42 3.32 -1.34 0.45 116.42 120.28 1p3o h ASP 706 Ca -0.01 0.03 0.01 0.00 0.02 0.00 0.00 57.03 57.08 1p3o h ASP 706 Cb 0.25 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 1p3o h ASP 706 CO -0.00 0.47 0.30 0.74 -1.72 0.00 0.00 179.24 179.02 1p3o h THR 707 N 0.88 1.11 -0.66 0.35 2.02 -0.40 -0.27 112.91 115.94 1p3o h THR 707 Ca 0.37 -0.21 0.01 0.00 0.77 0.00 0.00 66.41 67.36 1p3o h THR 707 Cb 0.23 0.45 -0.04 0.00 -1.74 0.00 0.00 68.15 67.05 1p3o h THR 707 CO -0.19 0.11 0.43 -1.13 0.37 0.00 0.00 175.52 175.10 1p3o h ASN 708 N 0.60 0.72 0.04 4.18 -1.24 0.12 -0.24 115.58 119.77 1p3o h ASN 708 Ca 0.17 -0.01 -0.06 0.00 0.71 0.00 0.00 56.30 57.11 1p3o h ASN 708 Cb -0.06 -0.17 -0.01 0.00 0.73 0.00 0.00 38.32 38.81 1p3o h ASN 708 CO -0.04 0.52 -0.16 -0.07 -1.29 0.00 0.00 177.43 176.38 1p3o h LEU 709 N 0.86 0.25 -0.47 0.34 3.38 -0.39 -1.45 115.31 117.83 1p3o h LEU 709 Ca 0.25 -0.06 -0.17 0.00 0.09 0.00 0.00 57.88 57.99 1p3o h LEU 709 Cb -0.06 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1p3o h LEU 709 CO -0.07 0.43 -0.64 0.00 0.09 0.00 0.00 178.44 178.25 1p3o h ALA 711 N 0.96 -0.45 -0.56 0.00 0.00 -0.72 -2.43 119.26 116.06 1p3o h ALA 711 Ca -0.01 -0.16 0.13 0.00 0.00 0.00 0.00 54.91 54.86 1p3o h ALA 711 Cb 1.20 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 19.13 1p3o h ALA 711 CO 0.11 -0.64 0.39 0.82 0.00 0.00 0.00 179.25 179.92 1p3o h ILE 712 N -0.67 0.80 0.00 0.00 2.04 -1.18 0.76 117.51 119.26 1p3o h ILE 712 Ca -0.05 -0.06 -0.01 0.00 1.00 0.00 0.00 64.86 65.74 1p3o h ILE 712 Cb 0.47 0.61 -0.00 0.00 -0.74 0.00 0.00 36.82 37.16 1p3o h ILE 712 CO 0.08 0.03 -0.06 -0.74 0.00 0.00 0.00 178.15 177.46 1p3o h HIS 713 N 0.18 0.00 -0.35 1.37 2.76 -0.56 0.23 115.15 118.78 1p3o h HIS 713 Ca 0.26 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.43 1p3o h HIS 713 Cb 0.80 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.76 1p3o h HIS 713 CO -0.00 0.06 0.00 0.00 -1.30 0.00 0.00 177.93 176.69 1p3o n ALA 714 N -2.40 2.45 -3.60 5.26 0.00 0.26 -4.91 120.51 117.58 1p3o n ALA 714 Ca -0.03 -0.64 -0.23 0.00 0.00 0.00 0.00 53.44 52.55 1p3o n ALA 714 Cb 0.15 -0.99 0.07 0.00 0.00 0.00 0.00 19.45 18.68 1p3o n ALA 714 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1p3o n LYS 715 N 0.56 -7.06 -4.32 0.00 5.02 0.81 -5.00 118.16 108.17 1p3o n LYS 715 Ca 0.13 0.79 -0.17 0.00 -2.02 0.00 0.00 58.31 57.04 1p3o n LYS 715 Cb 0.32 -5.78 -0.10 0.00 -0.02 0.00 0.00 35.03 29.45 1p3o n LYS 715 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1p3o s ARG 716 N -6.07 1.31 0.00 1.97 0.52 -1.03 -5.00 118.95 110.65 1p3o s ARG 716 Ca 0.39 -1.65 0.00 0.00 -0.52 0.00 0.00 55.73 53.95 1p3o s ARG 716 Cb -0.18 -0.61 0.00 0.00 0.52 0.00 0.00 34.95 34.68 1p3o s ARG 716 CO 0.75 -0.08 0.63 1.33 0.02 0.00 0.00 175.30 177.95 1p3o n VAL 717 N -0.39 0.29 -3.77 3.52 0.24 -1.26 -3.02 118.33 113.93 1p3o n VAL 717 Ca -0.06 -0.62 -0.36 0.00 -2.04 0.00 0.00 64.34 61.26 1p3o n VAL 717 Cb 0.64 0.89 -0.12 0.00 -1.47 0.00 0.00 33.84 33.77 1p3o n VAL 717 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1p3o s THR 718 N -0.29 4.43 0.25 3.34 2.01 -1.26 -5.00 115.64 119.13 1p3o s THR 718 Ca 0.00 -0.13 -0.30 0.00 0.31 0.00 0.00 61.69 61.57 1p3o s THR 718 Cb 0.00 -3.07 -0.09 0.00 0.01 0.00 0.00 72.50 69.35 1p3o s THR 718 CO 0.00 0.34 1.09 0.27 -0.69 0.00 0.00 174.62 175.63 1p3o s ILE 719 N 1.52 3.60 0.21 1.82 -4.36 -1.26 -4.86 121.20 117.87 1p3o s ILE 719 Ca 0.06 1.56 0.03 0.00 -0.26 0.00 0.00 60.65 62.03 1p3o s ILE 719 Cb -0.15 -3.99 -0.05 0.00 1.25 0.00 0.00 42.46 39.52 1p3o s ILE 719 CO 0.04 0.35 0.01 -0.04 0.24 0.00 0.00 174.94 175.54 1p3o s MET 720 N -1.19 1.26 0.24 0.37 -1.94 -1.26 -5.04 119.30 111.74 1p3o s MET 720 Ca 0.45 -1.63 -0.06 0.00 -1.71 0.00 0.00 55.69 52.74 1p3o s MET 720 Cb -0.31 -0.44 0.43 0.00 2.01 0.00 0.00 34.83 36.52 1p3o s MET 720 CO 0.39 -0.13 1.69 -1.35 -0.01 0.00 0.00 175.02 175.60 1p3o h PRO 721 N 2.54 0.25 -0.34 2.03 0.11 -2.00 0.60 132.00 135.19 1p3o h PRO 721 Ca -0.38 -0.02 0.10 0.00 0.11 0.00 0.00 66.00 65.82 1p3o h PRO 721 Cb 1.22 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 1p3o h PRO 721 CO 0.63 0.17 0.33 1.57 -0.21 0.00 0.00 178.00 180.49 1p3o h LYS 722 N 0.26 0.00 0.05 1.05 2.10 -1.98 0.41 116.57 118.45 1p3o h LYS 722 Ca 0.40 0.00 -0.15 0.00 -2.00 0.00 0.00 60.65 58.89 1p3o h LYS 722 Cb 0.66 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.01 1p3o h LYS 722 CO -0.50 0.00 -0.63 -0.44 -2.00 0.00 0.00 179.45 175.88 1p3o h ASP 723 N 0.00 0.48 -0.97 7.07 3.32 -1.23 -1.61 116.42 123.48 1p3o h ASP 723 Ca 0.16 -0.83 0.06 0.00 0.02 0.00 0.00 57.03 56.44 1p3o h ASP 723 Cb 0.81 -0.15 -0.06 0.00 0.22 0.00 0.00 39.33 40.15 1p3o h ASP 723 CO -0.00 1.25 0.63 0.40 -1.72 0.00 0.00 179.24 179.80 1p3o h ILE 724 N -0.24 1.10 -0.12 0.35 2.04 -1.07 -1.62 117.51 117.96 1p3o h ILE 724 Ca -0.09 -0.39 -0.12 0.00 1.00 0.00 0.00 64.86 65.26 1p3o h ILE 724 Cb 1.39 -0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 1p3o h ILE 724 CO 0.12 0.21 -0.45 1.56 0.00 0.00 0.00 178.15 179.59 1p3o h GLN 725 N 1.15 0.29 -0.01 2.37 4.20 -0.92 -2.04 115.11 120.15 1p3o h GLN 725 Ca 0.41 -0.15 -0.17 0.00 0.06 0.00 0.00 58.65 58.80 1p3o h GLN 725 Cb 0.14 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.90 1p3o h GLN 725 CO -0.15 0.68 -0.79 1.25 -0.67 0.00 0.00 178.83 179.16 1p3o h LEU 726 N 0.23 0.17 -0.26 1.46 5.85 -0.42 -2.06 115.31 120.29 1p3o h LEU 726 Ca 0.02 -0.13 -0.20 0.00 0.84 0.00 0.00 57.88 58.40 1p3o h LEU 726 Cb 0.89 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.87 1p3o h LEU 726 CO 0.07 0.89 -0.70 0.00 -0.34 0.00 0.00 178.44 178.36 1p3o h ALA 727 N 1.10 0.43 0.00 1.25 0.00 -1.17 -1.86 119.26 119.01 1p3o h ALA 727 Ca -0.03 -0.58 -0.17 0.00 0.00 0.00 0.00 54.91 54.14 1p3o h ALA 727 Cb 1.38 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.10 1p3o h ALA 727 CO 0.11 0.70 -0.81 0.00 0.00 0.00 0.00 179.25 179.25 1p3o h ARG 728 N 0.52 0.01 -0.46 0.00 3.08 -1.36 0.18 114.38 116.35 1p3o h ARG 728 Ca -0.03 -0.01 -0.08 0.00 0.07 0.00 0.00 59.98 59.92 1p3o h ARG 728 Cb 1.31 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.35 1p3o h ARG 728 CO 0.14 0.81 -0.04 -0.09 -1.07 0.00 0.00 179.97 179.73 1p3o h ARG 729 N 0.01 0.85 -0.25 0.04 2.43 -1.33 0.12 114.38 116.24 1p3o h ARG 729 Ca -0.01 -0.29 -0.18 0.00 -0.81 0.00 0.00 59.98 58.69 1p3o h ARG 729 Cb 1.43 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.92 1p3o h ARG 729 CO 0.11 0.92 -0.53 0.82 -1.51 0.00 0.00 179.97 179.78 1p3o h ILE 730 N 0.69 1.29 -0.20 1.20 2.04 -1.19 -2.88 117.51 118.47 1p3o h ILE 730 Ca 0.13 -1.72 0.06 0.00 1.00 0.00 0.00 64.86 64.32 1p3o h ILE 730 Cb 0.56 1.73 -0.01 0.00 -0.74 0.00 0.00 36.82 38.36 1p3o h ILE 730 CO 0.03 0.55 0.21 0.03 0.00 0.00 0.00 178.15 178.97 1p3o h ARG 731 N 0.56 0.00 0.00 2.37 3.08 -0.51 -3.45 114.38 116.43 1p3o h ARG 731 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1p3o h ARG 731 Cb 1.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.19 1p3o h ARG 731 CO 0.12 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.43 1p3o n GLY 732 N -1.43 1.10 0.40 0.04 0.00 -0.70 -4.97 105.19 99.64 1p3o n GLY 732 Ca 0.02 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.12 1p3o n GLY 732 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1p3o n GLU 733 N -1.73 1.52 0.00 1.61 1.02 0.33 -4.27 120.64 119.12 1p3o n GLU 733 Ca 0.00 -0.79 0.00 0.00 -0.02 0.00 0.00 57.16 56.35 1p3o n GLU 733 Cb 0.00 -1.30 0.00 0.00 -0.02 0.00 0.00 31.44 30.12 1p3o n GLU 733 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 1p3o n ARG 734 N 0.05 0.00 0.00 3.49 1.85 -1.22 -4.93 116.66 115.91 1p3o n ARG 734 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.98 1p3o n ARG 734 Cb 0.23 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.64 1p3o n ARG 734 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62