#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fr0 s THR 655 N 0.00 3.88 -0.94 4.28 2.01 -1.26 -5.06 115.64 118.55 1fr0 s THR 655 Ca 0.00 -1.66 -0.02 0.00 0.31 0.00 0.00 61.69 60.32 1fr0 s THR 655 Cb 0.00 -3.07 0.25 0.00 0.01 0.00 0.00 72.50 69.69 1fr0 s THR 655 CO 0.00 -0.34 0.98 1.21 -0.69 0.00 0.00 174.62 175.78 1fr0 n GLU 656 N -0.93 3.16 -2.23 4.92 2.13 -1.26 -5.04 120.64 121.39 1fr0 n GLU 656 Ca -0.07 -4.52 -0.43 0.00 0.66 0.00 0.00 57.16 52.80 1fr0 n GLU 656 Cb 0.58 -2.43 -0.02 0.00 0.27 0.00 0.00 31.44 29.83 1fr0 n GLU 656 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 1fr0 s GLU 657 N -1.83 4.21 0.12 5.31 2.12 -1.26 -4.93 118.70 122.44 1fr0 s GLU 657 Ca 0.31 1.91 -0.35 0.00 0.36 0.00 0.00 54.97 57.20 1fr0 s GLU 657 Cb -0.02 -3.87 -0.16 0.00 0.26 0.00 0.00 34.13 30.34 1fr0 s GLU 657 CO -0.05 -0.77 1.24 0.27 -0.54 0.00 0.00 175.26 175.40 1fr0 n ASN 658 N 6.86 1.38 -4.50 -1.70 6.94 -1.26 -4.78 115.26 118.20 1fr0 n ASN 658 Ca 0.15 1.13 -0.39 0.00 -0.02 0.00 0.00 54.58 55.45 1fr0 n ASN 658 Cb 0.44 -1.18 -0.02 0.00 -2.36 0.00 0.00 39.78 36.66 1fr0 n ASN 658 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 1fr0 n SER 659 N 2.24 4.33 0.20 0.53 3.41 -1.26 -4.70 113.62 118.37 1fr0 n SER 659 Ca 0.17 -2.85 0.07 0.00 -0.26 0.00 0.00 58.87 56.00 1fr0 n SER 659 Cb 0.21 -1.72 0.41 0.00 -0.26 0.00 0.00 64.21 62.84 1fr0 n SER 659 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 1fr0 h LYS 660 N 8.01 0.00 -0.01 4.33 2.10 -2.00 -0.31 116.57 128.70 1fr0 h LYS 660 Ca 0.40 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.05 1fr0 h LYS 660 Cb 0.87 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.20 1fr0 h LYS 660 CO 1.44 0.32 -0.28 0.45 -2.00 0.00 0.00 179.45 179.38 1fr0 n SER 661 N -3.56 1.35 -0.00 7.07 2.88 -1.26 -4.45 113.62 115.64 1fr0 n SER 661 Ca -0.00 -1.17 0.06 0.00 -1.33 0.00 0.00 58.87 56.42 1fr0 n SER 661 Cb 0.45 0.49 -0.08 0.00 -0.75 0.00 0.00 64.21 64.33 1fr0 n SER 661 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1fr0 n GLU 662 N -0.25 1.63 0.13 -1.46 2.13 -1.15 -4.36 120.64 117.31 1fr0 n GLU 662 Ca 0.05 -0.06 0.12 0.00 0.66 0.00 0.00 57.16 57.93 1fr0 n GLU 662 Cb 0.26 -1.19 0.47 0.00 0.27 0.00 0.00 31.44 31.26 1fr0 n GLU 662 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1fr0 n ALA 663 N -1.63 1.84 -0.04 4.31 0.00 -0.14 -2.96 120.51 121.90 1fr0 n ALA 663 Ca -0.00 0.06 0.01 0.00 0.00 0.00 0.00 53.44 53.50 1fr0 n ALA 663 Cb 0.26 -1.42 -0.15 0.00 0.00 0.00 0.00 19.45 18.14 1fr0 n ALA 663 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1fr0 n LEU 664 N -2.28 0.12 -4.17 0.00 4.77 -1.26 -4.51 117.00 109.69 1fr0 n LEU 664 Ca 0.03 0.05 -0.12 0.00 -0.03 0.00 0.00 56.01 55.94 1fr0 n LEU 664 Cb 0.29 0.22 -0.09 0.00 -2.33 0.00 0.00 43.42 41.51 1fr0 n LEU 664 CO 0.23 0.23 -0.14 -1.48 -1.33 0.00 0.00 177.39 174.90 1fr0 s LEU 665 N -5.10 1.04 -0.33 2.23 0.05 -1.15 -2.39 118.68 113.03 1fr0 s LEU 665 Ca -0.08 -1.34 -0.18 0.00 0.05 0.00 0.00 54.13 52.58 1fr0 s LEU 665 Cb 0.10 0.70 -0.01 0.00 -2.05 0.00 0.00 46.19 44.92 1fr0 s LEU 665 CO 0.86 -0.93 0.50 -0.62 -0.55 0.00 0.00 176.35 175.61 1fr0 s ASP 666 N -3.15 6.33 0.11 1.48 -1.08 -0.79 -4.62 116.67 114.96 1fr0 s ASP 666 Ca 0.36 0.11 -0.14 0.00 -0.52 0.00 0.00 52.55 52.35 1fr0 s ASP 666 Cb 0.05 -2.27 -0.07 0.00 -1.46 0.00 0.00 42.92 39.18 1fr0 s ASP 666 CO 0.13 -0.42 1.45 0.40 0.52 0.00 0.00 175.17 177.25 1fr0 h ILE 667 N 5.55 1.29 0.02 4.11 5.03 -1.92 -2.33 117.51 129.26 1fr0 h ILE 667 Ca -0.28 -1.41 -0.00 0.00 -0.12 0.00 0.00 64.86 63.04 1fr0 h ILE 667 Cb 1.13 1.47 0.00 0.00 -3.03 0.00 0.00 36.82 36.40 1fr0 h ILE 667 CO 0.75 0.46 -0.01 1.55 -0.68 0.00 0.00 178.15 180.22 1fr0 h PRO 668 N 0.52 -0.02 -0.62 2.37 0.13 -1.99 -2.26 132.00 130.13 1fr0 h PRO 668 Ca 0.06 0.00 0.11 0.00 -0.87 0.00 0.00 66.00 65.31 1fr0 h PRO 668 Cb 0.82 0.01 -0.09 0.00 0.13 0.00 0.00 31.00 31.87 1fr0 h PRO 668 CO 0.07 0.67 0.16 1.98 -0.23 0.00 0.00 178.00 180.65 1fr0 h MET 669 N -0.77 0.29 -0.62 0.86 4.05 -1.98 0.19 114.93 116.95 1fr0 h MET 669 Ca -0.00 -0.02 -0.04 0.00 -0.28 0.00 0.00 59.70 59.36 1fr0 h MET 669 Cb 0.71 -0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 31.41 1fr0 h MET 669 CO 0.00 0.19 0.21 -0.07 0.23 0.00 0.00 176.91 177.48 1fr0 h LEU 670 N 0.30 0.85 0.63 3.39 3.38 -1.48 -1.99 115.31 120.39 1fr0 h LEU 670 Ca 0.33 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 58.14 1fr0 h LEU 670 Cb 0.48 -0.22 0.01 0.00 0.09 0.00 0.00 40.66 41.02 1fr0 h LEU 670 CO -0.39 0.79 -0.30 -0.08 0.09 0.00 0.00 178.44 178.54 1fr0 h GLU 671 N 0.90 -0.82 -0.49 1.13 4.81 -0.10 -2.73 114.58 117.28 1fr0 h GLU 671 Ca 0.21 0.06 0.10 0.00 -0.13 0.00 0.00 59.36 59.59 1fr0 h GLU 671 Cb 0.23 0.19 -0.08 0.00 0.63 0.00 0.00 28.75 29.71 1fr0 h GLU 671 CO -0.01 -0.52 -0.03 0.37 -0.73 0.00 0.00 179.01 178.09 1fr0 h GLN 672 N -0.94 0.08 -0.75 1.92 4.15 -0.85 -0.24 115.11 118.48 1fr0 h GLN 672 Ca -0.09 -0.00 0.16 0.00 0.77 0.00 0.00 58.65 59.48 1fr0 h GLN 672 Cb 0.68 -0.02 -0.14 0.00 0.21 0.00 0.00 27.48 28.21 1fr0 h GLN 672 CO 0.14 0.05 -0.15 1.88 -1.93 0.00 0.00 178.83 178.83 1fr0 h TYR 673 N 0.08 -0.33 0.00 3.99 -1.99 -1.21 1.76 116.97 119.27 1fr0 h TYR 673 Ca 0.25 0.06 0.00 0.00 2.00 0.00 0.00 58.73 61.04 1fr0 h TYR 673 Cb 0.37 0.26 0.00 0.00 2.00 0.00 0.00 36.73 39.37 1fr0 h TYR 673 CO -0.34 -0.31 0.00 -0.07 -0.00 0.00 0.00 178.16 177.44 1fr0 h LEU 674 N 0.02 0.00 0.00 3.88 3.38 -0.81 0.11 115.31 121.89 1fr0 h LEU 674 Ca 0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.34 1fr0 h LEU 674 Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1fr0 h LEU 674 CO -0.75 0.00 0.00 1.21 0.09 0.00 0.00 178.44 178.99 1fr0 n GLU 675 N -2.77 0.95 0.05 1.13 2.13 0.60 -3.56 120.64 119.15 1fr0 n GLU 675 Ca 0.02 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.84 1fr0 n GLU 675 Cb 0.30 -1.17 0.00 0.00 0.27 0.00 0.00 31.44 30.84 1fr0 n GLU 675 CO 0.00 0.00 0.00 1.47 -0.41 0.00 0.00 177.13 178.19 1fr0 n LEU 676 N -0.67 -0.56 -0.05 4.31 -0.00 -0.97 -4.95 117.00 114.11 1fr0 n LEU 676 Ca 0.08 0.17 -0.03 0.00 -0.00 0.00 0.00 56.01 56.22 1fr0 n LEU 676 Cb 0.04 0.75 -0.15 0.00 -0.00 0.00 0.00 43.42 44.06 1fr0 n LEU 676 CO 0.06 -0.43 -0.85 1.33 -0.00 0.00 0.00 177.39 177.49 1fr0 n VAL 677 N -2.72 1.06 -1.83 1.47 0.24 -0.05 -5.09 118.33 111.40 1fr0 n VAL 677 Ca 0.00 -0.74 0.00 0.00 -2.04 0.00 0.00 64.34 61.56 1fr0 n VAL 677 Cb 0.00 -0.45 0.00 0.00 -1.47 0.00 0.00 33.84 31.92 1fr0 n VAL 677 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1fr0 n GLY 678 N 1.56 -2.15 0.04 7.63 0.00 -0.72 -4.23 105.19 107.32 1fr0 n GLY 678 Ca -0.21 -1.73 0.11 0.00 0.00 0.00 0.00 46.02 44.20 1fr0 n GLY 678 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1fr0 n PRO 679 N -0.10 0.08 0.26 1.61 -0.04 -1.26 -3.86 135.00 131.69 1fr0 n PRO 679 Ca 0.00 0.21 -0.14 0.00 -0.04 0.00 0.00 63.50 63.54 1fr0 n PRO 679 Cb 0.00 -1.62 -0.07 0.00 -0.04 0.00 0.00 33.50 31.77 1fr0 n PRO 679 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1fr0 h LYS 680 N 0.00 -0.77 0.66 0.54 1.79 -1.98 0.15 116.57 116.96 1fr0 h LYS 680 Ca 0.00 0.05 -0.03 0.00 -2.18 0.00 0.00 60.65 58.49 1fr0 h LYS 680 Cb 0.41 0.17 0.00 0.00 -1.58 0.00 0.00 32.23 31.24 1fr0 h LYS 680 CO 0.00 -0.51 -0.35 1.25 -1.08 0.00 0.00 179.45 178.76 1fr0 h LEU 681 N -0.79 -0.85 -0.49 2.94 5.85 -1.78 0.13 115.31 120.30 1fr0 h LEU 681 Ca -0.06 0.04 0.10 0.00 0.84 0.00 0.00 57.88 58.80 1fr0 h LEU 681 Cb 0.66 0.23 -0.10 0.00 0.37 0.00 0.00 40.66 41.82 1fr0 h LEU 681 CO 0.02 -0.58 -0.22 0.40 -0.34 0.00 0.00 178.44 177.73 1fr0 h ILE 682 N -0.94 0.35 0.06 4.05 5.03 -1.69 1.28 117.51 125.65 1fr0 h ILE 682 Ca -0.09 0.00 -0.00 0.00 -0.12 0.00 0.00 64.86 64.65 1fr0 h ILE 682 Cb 0.74 0.35 0.00 0.00 -3.03 0.00 0.00 36.82 34.88 1fr0 h ILE 682 CO 0.12 0.00 -0.03 0.74 -0.68 0.00 0.00 178.15 178.31 1fr0 h THR 683 N -0.10 1.02 0.63 -0.27 2.02 -0.56 -1.41 112.91 114.23 1fr0 h THR 683 Ca 0.23 -0.25 -0.03 0.00 0.77 0.00 0.00 66.41 67.14 1fr0 h THR 683 Cb 0.47 1.18 0.01 0.00 -1.74 0.00 0.00 68.15 68.06 1fr0 h THR 683 CO -0.56 0.06 -0.30 0.44 0.37 0.00 0.00 175.52 175.53 1fr0 h ASP 684 N -0.19 -0.71 -1.39 4.18 3.32 0.14 -1.55 116.42 120.23 1fr0 h ASP 684 Ca -0.01 0.02 0.40 0.00 0.02 0.00 0.00 57.03 57.47 1fr0 h ASP 684 Cb 0.16 0.18 -0.07 0.00 0.22 0.00 0.00 39.33 39.82 1fr0 h ASP 684 CO 0.01 -0.40 0.98 1.23 -1.72 0.00 0.00 179.24 179.35 1fr0 h GLY 685 N -1.06 0.28 0.27 2.75 0.00 0.15 0.71 103.07 106.17 1fr0 h GLY 685 Ca -0.09 -0.03 -0.00 0.00 0.00 0.00 0.00 47.33 47.21 1fr0 h GLY 685 CO 0.14 -0.06 -0.02 -2.00 0.00 0.00 0.00 176.54 174.60 1fr0 h LEU 686 N 0.05 -0.05 -0.86 3.11 5.85 -0.99 -2.60 115.31 119.81 1fr0 h LEU 686 Ca 0.69 -0.60 0.19 0.00 0.84 0.00 0.00 57.88 59.00 1fr0 h LEU 686 Cb 2.61 0.01 -0.11 0.00 0.37 0.00 0.00 40.66 43.54 1fr0 h LEU 686 CO -0.09 0.63 0.38 0.00 -0.34 0.00 0.00 178.44 179.02 1fr0 h ALA 687 N 0.03 1.32 0.21 1.25 0.00 0.17 0.23 119.26 122.46 1fr0 h ALA 687 Ca -0.01 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1fr0 h ALA 687 Cb 0.65 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1fr0 h ALA 687 CO 0.01 -0.26 -0.10 0.28 0.00 0.00 0.00 179.25 179.18 1fr0 h VAL 688 N 0.46 0.87 0.00 0.00 2.07 -1.49 -2.59 116.25 115.58 1fr0 h VAL 688 Ca 0.51 -0.63 0.00 0.00 0.82 0.00 0.00 66.70 67.40 1fr0 h VAL 688 Cb 0.88 1.23 0.00 0.00 -1.52 0.00 0.00 31.29 31.88 1fr0 h VAL 688 CO -0.47 0.14 0.00 0.33 0.02 0.00 0.00 177.57 177.59 1fr0 n PHE 689 N -5.07 0.77 -0.01 1.57 7.35 -0.71 -2.23 117.46 119.12 1fr0 n PHE 689 Ca -0.09 0.37 -0.17 0.00 -0.76 0.00 0.00 57.45 56.80 1fr0 n PHE 689 Cb 0.23 -1.09 -0.14 0.00 0.35 0.00 0.00 39.48 38.84 1fr0 n PHE 689 CO 0.00 0.00 0.00 0.93 -0.76 0.00 0.00 176.76 176.93 1fr0 h GLU 690 N 0.00 0.16 -0.20 -4.13 5.08 -0.21 0.19 114.58 115.47 1fr0 h GLU 690 Ca 0.00 -0.26 -0.10 0.00 -1.00 0.00 0.00 59.36 58.00 1fr0 h GLU 690 Cb 0.12 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1fr0 h GLU 690 CO 0.00 1.10 -0.30 -0.22 -1.00 0.00 0.00 179.01 178.59 1fr0 h LYS 691 N -0.65 0.40 -0.01 2.33 3.11 -1.14 -2.72 116.57 117.90 1fr0 h LYS 691 Ca -0.07 -0.16 0.00 0.00 -2.81 0.00 0.00 60.65 57.61 1fr0 h LYS 691 Cb 1.29 -0.02 0.00 0.00 -1.00 0.00 0.00 32.23 32.51 1fr0 h LYS 691 CO 0.08 0.67 -0.49 -0.12 -2.81 0.00 0.00 179.45 176.77 1fr0 n MET 692 N -4.09 0.55 0.13 1.90 1.56 -0.95 -4.21 117.12 112.01 1fr0 n MET 692 Ca -0.01 -0.38 -0.13 0.00 -0.27 0.00 0.00 57.70 56.91 1fr0 n MET 692 Cb 0.43 -1.49 -0.06 0.00 2.15 0.00 0.00 33.22 34.25 1fr0 n MET 692 CO 0.00 0.00 0.00 0.52 -0.73 0.00 0.00 175.97 175.76 1fr0 h MET 693 N 0.93 -0.40 0.00 2.12 2.86 -0.27 0.22 114.93 120.39 1fr0 h MET 693 Ca 0.00 0.03 -0.07 0.00 -2.06 0.00 0.00 59.70 57.60 1fr0 h MET 693 Cb 0.55 0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.30 1fr0 h MET 693 CO 0.00 -0.27 -0.31 -1.00 1.06 0.00 0.00 176.91 176.39 1fr0 h PRO 694 N -0.42 0.00 -0.11 -0.22 0.13 -1.75 -2.79 132.00 126.84 1fr0 h PRO 694 Ca 0.01 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 65.00 1fr0 h PRO 694 Cb 0.42 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.56 1fr0 h PRO 694 CO -0.09 0.31 -0.49 0.78 -0.23 0.00 0.00 178.00 178.28 1fr0 h GLY 695 N 1.93 0.58 0.97 1.56 0.00 -1.57 -2.30 103.07 104.25 1fr0 h GLY 695 Ca -0.00 -0.81 -0.00 0.00 0.00 0.00 0.00 47.33 46.52 1fr0 h GLY 695 CO 0.04 0.72 0.07 -0.97 0.00 0.00 0.00 176.54 176.40 1fr0 h TYR 696 N 0.13 0.14 -0.84 5.60 0.05 -0.49 -2.46 116.97 119.11 1fr0 h TYR 696 Ca -0.03 0.00 0.04 0.00 0.05 0.00 0.00 58.73 58.79 1fr0 h TYR 696 Cb 1.14 -0.05 -0.05 0.00 1.01 0.00 0.00 36.73 38.78 1fr0 h TYR 696 CO 0.11 0.12 0.53 0.28 -1.05 0.00 0.00 178.16 178.16 1fr0 h VAL 697 N 0.12 1.11 0.04 -2.88 2.07 -1.54 -2.53 116.25 112.65 1fr0 h VAL 697 Ca 0.04 -0.35 0.02 0.00 0.82 0.00 0.00 66.70 67.23 1fr0 h VAL 697 Cb 0.02 -0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 29.74 1fr0 h VAL 697 CO -0.01 0.19 -0.48 -1.28 0.02 0.00 0.00 177.57 176.01 1fr0 h SER 698 N 1.03 -1.47 -1.01 0.57 0.87 -0.95 0.86 113.55 113.44 1fr0 h SER 698 Ca 0.34 0.17 0.23 0.00 -1.23 0.00 0.00 61.79 61.30 1fr0 h SER 698 Cb 0.04 0.56 -0.10 0.00 -0.44 0.00 0.00 62.40 62.46 1fr0 h SER 698 CO -0.13 -0.51 0.62 0.58 -0.53 0.00 0.00 176.83 176.87 1fr0 h VAL 699 N -0.66 0.60 0.23 2.23 2.07 -1.15 -0.71 116.25 118.86 1fr0 h VAL 699 Ca 0.02 -0.20 0.01 0.00 0.82 0.00 0.00 66.70 67.35 1fr0 h VAL 699 Cb 0.71 -0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.42 1fr0 h VAL 699 CO -0.32 0.10 -0.36 0.25 0.02 0.00 0.00 177.57 177.27 1fr0 h LEU 700 N 0.57 -1.02 -0.91 2.57 7.12 -0.44 -1.30 115.31 121.90 1fr0 h LEU 700 Ca 0.59 0.10 0.22 0.00 0.13 0.00 0.00 57.88 58.92 1fr0 h LEU 700 Cb 1.19 0.37 -0.12 0.00 -0.53 0.00 0.00 40.66 41.57 1fr0 h LEU 700 CO -0.37 -0.47 0.44 -0.33 -0.13 0.00 0.00 178.44 177.58 1fr0 h GLU 701 N -0.66 0.45 -0.38 1.25 5.08 -0.47 0.69 114.58 120.54 1fr0 h GLU 701 Ca 0.00 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.36 1fr0 h GLU 701 Cb 0.65 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 1fr0 h GLU 701 CO -0.14 0.30 0.25 1.03 -1.00 0.00 0.00 179.01 179.45 1fr0 h SER 702 N 0.47 0.35 0.20 1.42 0.87 -0.94 -2.64 113.55 113.28 1fr0 h SER 702 Ca 0.57 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 61.11 1fr0 h SER 702 Cb 1.04 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.92 1fr0 h SER 702 CO -0.50 0.25 -0.09 0.78 -0.53 0.00 0.00 176.83 176.74 1fr0 h ASN 703 N 0.41 -0.22 -0.92 6.23 4.21 1.00 -2.74 115.58 123.55 1fr0 h ASN 703 Ca 0.15 -0.31 0.26 0.00 1.21 0.00 0.00 56.30 57.61 1fr0 h ASN 703 Cb 0.09 0.06 -0.14 0.00 -1.12 0.00 0.00 38.32 37.21 1fr0 h ASN 703 CO -0.03 0.28 0.32 -0.07 -1.29 0.00 0.00 177.43 176.63 1fr0 h LEU 704 N -0.82 0.13 -1.32 1.61 -0.00 -1.11 1.28 115.31 115.08 1fr0 h LEU 704 Ca -0.03 0.20 -0.07 0.00 -0.00 0.00 0.00 57.88 57.98 1fr0 h LEU 704 Cb 0.52 0.23 -0.01 0.00 -0.00 0.00 0.00 40.66 41.40 1fr0 h LEU 704 CO 0.04 -0.15 -0.33 0.74 -0.00 0.00 0.00 178.44 178.75 1fr0 h THR 705 N 0.24 1.07 -0.55 0.22 2.02 -1.47 -2.13 112.91 112.31 1fr0 h THR 705 Ca 0.60 -1.18 0.00 0.00 0.77 0.00 0.00 66.41 66.60 1fr0 h THR 705 Cb 1.26 1.67 0.00 0.00 -1.74 0.00 0.00 68.15 69.34 1fr0 h THR 705 CO -0.65 0.32 0.00 0.00 0.37 0.00 0.00 175.52 175.56 1fr0 n ALA 706 N -2.40 2.41 -3.74 6.16 0.00 0.41 -4.93 120.51 118.42 1fr0 n ALA 706 Ca -0.02 -1.01 -0.28 0.00 0.00 0.00 0.00 53.44 52.13 1fr0 n ALA 706 Cb 0.39 -0.95 0.03 0.00 0.00 0.00 0.00 19.45 18.92 1fr0 n ALA 706 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1fr0 n GLN 707 N 1.23 -5.61 -2.59 0.00 3.00 0.74 -4.86 117.38 109.29 1fr0 n GLN 707 Ca 0.20 0.64 -0.41 0.00 -0.01 0.00 0.00 57.00 57.42 1fr0 n GLN 707 Cb 0.51 -5.54 -0.03 0.00 0.00 0.00 0.00 30.24 25.18 1fr0 n GLN 707 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 1fr0 s ASP 708 N -3.19 6.52 0.00 1.08 2.15 -0.95 -4.90 116.67 117.38 1fr0 s ASP 708 Ca 0.60 -1.51 0.00 0.00 0.43 0.00 0.00 52.55 52.07 1fr0 s ASP 708 Cb -0.30 -2.56 0.00 0.00 -0.30 0.00 0.00 42.92 39.77 1fr0 s ASP 708 CO 0.74 -1.47 0.36 1.17 -0.17 0.00 0.00 175.17 175.81 1fr0 n LYS 709 N 8.70 0.00 -0.42 4.34 4.81 -1.26 -0.62 118.16 133.71 1fr0 n LYS 709 Ca 0.33 0.04 0.35 0.00 -0.87 0.00 0.00 58.31 58.16 1fr0 n LYS 709 Cb 0.51 -0.86 0.67 0.00 0.02 0.00 0.00 35.03 35.36 1fr0 n LYS 709 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 1fr0 h LYS 710 N 0.00 0.13 0.83 1.64 3.11 -1.99 -0.70 116.57 119.58 1fr0 h LYS 710 Ca 0.00 -0.01 -0.04 0.00 -2.81 0.00 0.00 60.65 57.79 1fr0 h LYS 710 Cb 0.00 -0.03 0.01 0.00 -1.00 0.00 0.00 32.23 31.21 1fr0 h LYS 710 CO 0.00 0.08 -0.40 0.78 -2.81 0.00 0.00 179.45 177.10 1fr0 h GLY 711 N 0.13 -1.17 0.34 5.01 0.00 -1.91 -0.04 103.07 105.43 1fr0 h GLY 711 Ca 0.71 0.43 0.09 0.00 0.00 0.00 0.00 47.33 48.56 1fr0 h GLY 711 CO -0.22 -0.42 0.09 -2.22 0.00 0.00 0.00 176.54 173.77 1fr0 h ILE 712 N -1.16 0.71 0.58 2.60 2.04 0.64 -2.14 117.51 120.79 1fr0 h ILE 712 Ca -0.11 -0.08 -0.03 0.00 1.00 0.00 0.00 64.86 65.64 1fr0 h ILE 712 Cb 0.86 0.46 0.00 0.00 -0.74 0.00 0.00 36.82 37.40 1fr0 h ILE 712 CO 0.19 0.04 -0.31 0.58 0.00 0.00 0.00 178.15 178.65 1fr0 h VAL 713 N 0.23 0.00 -0.44 1.67 2.07 -1.33 0.11 116.25 118.56 1fr0 h VAL 713 Ca 0.25 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.82 1fr0 h VAL 713 Cb 0.34 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.05 1fr0 h VAL 713 CO -0.33 0.00 -0.38 -0.08 0.02 0.00 0.00 177.57 176.80 1fr0 h GLU 714 N -0.81 -0.14 0.00 1.57 4.57 -0.86 1.98 114.58 120.89 1fr0 h GLU 714 Ca -0.08 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.11 1fr0 h GLU 714 Cb 0.63 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.26 1fr0 h GLU 714 CO 0.11 -0.09 0.00 0.39 -1.18 0.00 0.00 179.01 178.24 1fr0 n GLU 715 N -4.47 0.12 0.00 1.92 1.02 -0.82 -0.91 120.64 117.50 1fr0 n GLU 715 Ca -0.01 0.62 0.00 0.00 -0.02 0.00 0.00 57.16 57.75 1fr0 n GLU 715 Cb 0.20 -1.90 0.00 0.00 -0.02 0.00 0.00 31.44 29.72 1fr0 n GLU 715 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1fr0 n GLY 716 N -1.33 -1.03 0.21 0.62 0.00 0.66 -1.52 105.19 102.80 1fr0 n GLY 716 Ca -0.01 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.16 1fr0 n GLY 716 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 1fr0 h HIS 717 N 0.00 0.00 0.01 1.61 2.07 -1.14 -1.45 115.15 116.25 1fr0 h HIS 717 Ca 0.00 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1fr0 h HIS 717 Cb 0.00 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.98 1fr0 h HIS 717 CO 0.06 0.00 -0.01 -0.22 -3.07 0.00 0.00 177.93 174.70 1fr0 h LYS 718 N 0.00 -0.01 0.27 5.12 3.64 -1.12 -2.64 116.57 121.83 1fr0 h LYS 718 Ca 0.00 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1fr0 h LYS 718 Cb 0.29 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 1fr0 h LYS 718 CO 0.00 0.80 -0.13 0.82 -2.27 0.00 0.00 179.45 178.67 1fr0 h ILE 719 N -0.92 0.00 -1.14 2.00 2.04 -1.11 -2.54 117.51 115.84 1fr0 h ILE 719 Ca -0.00 -0.40 0.32 0.00 1.00 0.00 0.00 64.86 65.78 1fr0 h ILE 719 Cb 0.82 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.81 1fr0 h ILE 719 CO 0.00 0.00 0.76 0.11 0.00 0.00 0.00 178.15 179.02 1fr0 h LYS 720 N -0.77 0.23 0.57 2.37 6.56 -1.45 -1.39 116.57 122.70 1fr0 h LYS 720 Ca -0.04 -0.01 -0.03 0.00 -1.06 0.00 0.00 60.65 59.51 1fr0 h LYS 720 Cb 0.28 -0.05 0.01 0.00 -0.57 0.00 0.00 32.23 31.89 1fr0 h LYS 720 CO 0.06 0.15 -0.27 0.78 -2.06 0.00 0.00 179.45 178.11 1fr0 h GLY 721 N 0.23 -0.80 -1.35 3.86 0.00 -1.47 -1.24 103.07 102.31 1fr0 h GLY 721 Ca 0.63 0.30 0.49 0.00 0.00 0.00 0.00 47.33 48.74 1fr0 h GLY 721 CO -0.23 -0.29 1.20 0.00 0.00 0.00 0.00 176.54 177.22 1fr0 h ALA 722 N -1.50 3.58 0.05 3.60 0.00 -0.82 0.77 119.26 124.94 1fr0 h ALA 722 Ca -0.08 -0.06 -0.22 0.00 0.00 0.00 0.00 54.91 54.55 1fr0 h ALA 722 Cb 0.58 0.13 0.02 0.00 0.00 0.00 0.00 17.79 18.52 1fr0 h ALA 722 CO 0.13 -2.06 -0.91 0.00 0.00 0.00 0.00 179.25 176.41 1fr0 h ALA 723 N 1.17 0.04 -0.03 0.00 0.00 -1.04 -3.14 119.26 116.25 1fr0 h ALA 723 Ca 0.80 -0.67 0.01 0.00 0.00 0.00 0.00 54.91 55.04 1fr0 h ALA 723 Cb 3.20 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 21.06 1fr0 h ALA 723 CO -0.01 0.52 0.06 0.78 0.00 0.00 0.00 179.25 180.60 1fr0 h GLY 724 N 0.07 0.00 2.00 0.00 0.00 0.18 0.94 103.07 106.26 1fr0 h GLY 724 Ca -0.13 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.14 1fr0 h GLY 724 CO 0.18 0.00 -0.28 1.48 0.00 0.00 0.00 176.54 177.92 1fr0 h SER 725 N 0.00 0.00 -0.34 0.19 4.64 -1.38 -2.29 113.55 114.37 1fr0 h SER 725 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1fr0 h SER 725 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 1fr0 h SER 725 CO -0.00 0.28 0.00 0.52 -0.87 0.00 0.00 176.83 176.76 1fr0 n VAL 726 N -3.47 0.70 -0.14 0.95 0.31 0.28 -4.81 118.33 112.15 1fr0 n VAL 726 Ca -0.00 -0.53 0.00 0.00 -0.01 0.00 0.00 64.34 63.79 1fr0 n VAL 726 Cb 0.45 0.08 0.00 0.00 -0.91 0.00 0.00 33.84 33.47 1fr0 n VAL 726 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1fr0 n GLY 727 N 0.89 0.88 3.42 2.92 0.00 -0.86 -4.97 105.19 107.47 1fr0 n GLY 727 Ca 0.12 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.71 1fr0 n GLY 727 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1fr0 n LEU 728 N 0.00 5.32 0.17 0.99 4.77 -0.41 -1.88 117.00 125.96 1fr0 n LEU 728 Ca 0.00 -4.40 0.03 0.00 -0.03 0.00 0.00 56.01 51.61 1fr0 n LEU 728 Cb 0.00 -1.63 0.30 0.00 -2.33 0.00 0.00 43.42 39.76 1fr0 n LEU 728 CO 0.00 0.71 0.64 0.08 -1.33 0.00 0.00 177.39 177.49 1fr0 h ARG 729 N 7.06 0.00 -0.64 3.23 0.11 -1.69 -2.71 114.38 119.74 1fr0 h ARG 729 Ca 0.35 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.42 1fr0 h ARG 729 Cb 0.85 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.90 1fr0 h ARG 729 CO 1.31 0.45 0.38 1.25 0.10 0.00 0.00 179.97 183.46 1fr0 h HIS 730 N 0.00 0.84 0.16 4.08 2.76 -1.70 -2.02 115.15 119.28 1fr0 h HIS 730 Ca -0.00 0.00 -0.24 0.00 -2.20 0.00 0.00 60.37 57.92 1fr0 h HIS 730 Cb 0.90 -0.28 0.03 0.00 1.55 0.00 0.00 27.41 29.61 1fr0 h HIS 730 CO 0.00 0.57 -1.05 -0.07 -1.30 0.00 0.00 177.93 176.08 1fr0 h LEU 731 N 0.89 0.64 -0.53 0.26 -0.00 -1.77 -2.74 115.31 112.06 1fr0 h LEU 731 Ca 0.23 -0.91 0.09 0.00 -0.00 0.00 0.00 57.88 57.29 1fr0 h LEU 731 Cb -0.02 -0.21 -0.07 0.00 -0.00 0.00 0.00 40.66 40.36 1fr0 h LEU 731 CO -0.04 1.50 0.15 -0.61 -0.00 0.00 0.00 178.44 179.44 1fr0 h GLN 732 N -0.11 0.30 0.06 1.13 -0.00 -1.22 -2.04 115.11 113.21 1fr0 h GLN 732 Ca -0.18 -0.02 -0.00 0.00 -0.00 0.00 0.00 58.65 58.45 1fr0 h GLN 732 Cb 1.81 -0.07 0.00 0.00 0.00 0.00 0.00 27.48 29.22 1fr0 h GLN 732 CO 0.20 0.20 -0.03 1.96 0.00 0.00 0.00 178.83 181.16 1fr0 h GLN 733 N 0.31 -0.07 -0.29 1.69 4.20 -1.47 -1.95 115.11 117.52 1fr0 h GLN 733 Ca 0.27 0.00 0.03 0.00 0.06 0.00 0.00 58.65 59.01 1fr0 h GLN 733 Cb 0.34 0.02 -0.05 0.00 0.30 0.00 0.00 27.48 28.09 1fr0 h GLN 733 CO -0.31 0.34 -0.29 -0.07 -0.67 0.00 0.00 178.83 177.84 1fr0 h LEU 734 N -0.51 -0.98 -0.82 1.46 4.07 -1.15 0.16 115.31 117.54 1fr0 h LEU 734 Ca -0.01 0.14 0.13 0.00 0.08 0.00 0.00 57.88 58.21 1fr0 h LEU 734 Cb 0.45 0.41 -0.09 0.00 1.08 0.00 0.00 40.66 42.51 1fr0 h LEU 734 CO 0.01 -0.18 0.43 1.23 -1.08 0.00 0.00 178.44 178.85 1fr0 h GLY 735 N -0.15 1.30 -0.71 0.83 0.00 -1.46 0.36 103.07 103.24 1fr0 h GLY 735 Ca 0.05 -0.26 0.36 0.00 0.00 0.00 0.00 47.33 47.48 1fr0 h GLY 735 CO -0.35 0.01 0.59 -1.61 0.00 0.00 0.00 176.54 175.19 1fr0 h GLN 736 N 0.65 0.20 0.00 4.80 4.15 0.11 1.33 115.11 126.37 1fr0 h GLN 736 Ca 0.43 -0.01 -0.15 0.00 0.77 0.00 0.00 58.65 59.68 1fr0 h GLN 736 Cb 0.54 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.16 1fr0 h GLN 736 CO -0.32 0.13 -0.92 1.96 -1.93 0.00 0.00 178.83 177.75 1fr0 h GLN 737 N 0.21 0.00 0.00 1.69 1.08 -0.34 -3.20 115.11 114.55 1fr0 h GLN 737 Ca 0.77 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.97 1fr0 h GLN 737 Cb 1.93 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.36 1fr0 h GLN 737 CO -0.63 0.53 0.00 0.82 -0.95 0.00 0.00 178.83 178.60 1fr0 h ILE 738 N 0.00 0.00 -0.01 2.54 2.04 0.23 -1.37 117.51 120.94 1fr0 h ILE 738 Ca -0.07 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.64 1fr0 h ILE 738 Cb 1.55 0.83 0.00 0.00 -0.74 0.00 0.00 36.82 38.46 1fr0 h ILE 738 CO 0.07 0.00 0.00 1.67 0.00 0.00 0.00 178.15 179.89 1fr0 n GLN 739 N -2.39 1.03 -2.73 2.37 0.00 -0.70 -3.82 117.38 111.15 1fr0 n GLN 739 Ca 0.00 -0.05 -0.22 0.00 -0.00 0.00 0.00 57.00 56.73 1fr0 n GLN 739 Cb 0.15 -1.16 -0.01 0.00 0.00 0.00 0.00 30.24 29.22 1fr0 n GLN 739 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.06 175.93 1fr0 n SER 740 N -0.61 3.44 -2.60 1.69 3.41 -0.52 -4.94 113.62 113.49 1fr0 n SER 740 Ca 0.08 -3.40 -0.07 0.00 -0.26 0.00 0.00 58.87 55.21 1fr0 n SER 740 Cb 0.05 -0.52 -0.04 0.00 -0.26 0.00 0.00 64.21 63.43 1fr0 n SER 740 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1fr0 n PRO 741 N -0.23 0.89 0.00 4.33 -0.04 -1.25 -2.77 135.00 135.93 1fr0 n PRO 741 Ca 0.29 -0.60 0.00 0.00 -0.04 0.00 0.00 63.50 63.15 1fr0 n PRO 741 Cb 0.63 -1.88 0.00 0.00 -0.04 0.00 0.00 33.50 32.21 1fr0 n PRO 741 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1fr0 n ASP 742 N 3.42 0.93 -4.78 3.54 5.68 -1.26 -4.95 116.55 119.14 1fr0 n ASP 742 Ca 0.19 0.00 -0.41 0.00 -0.50 0.00 0.00 54.79 54.07 1fr0 n ASP 742 Cb 0.23 0.17 -0.00 0.00 -1.14 0.00 0.00 41.12 40.38 1fr0 n ASP 742 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 1fr0 s LEU 743 N -0.77 4.32 0.49 -2.12 1.02 -1.11 -4.84 118.68 115.66 1fr0 s LEU 743 Ca 0.00 3.06 0.33 0.00 0.02 0.00 0.00 54.13 57.54 1fr0 s LEU 743 Cb 0.00 -3.67 1.56 0.00 0.02 0.00 0.00 46.19 44.11 1fr0 s LEU 743 CO 0.00 -0.90 1.99 1.55 0.02 0.00 0.00 176.35 179.01 1fr0 h PRO 744 N 3.21 0.00 0.00 1.29 0.13 -1.97 -2.15 132.00 132.51 1fr0 h PRO 744 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1fr0 h PRO 744 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1fr0 h PRO 744 CO 0.66 0.00 -1.87 0.00 -0.23 0.00 0.00 178.00 176.56 1fr0 n ALA 745 N -1.98 2.91 -0.04 -0.56 0.00 -1.26 -4.35 120.51 115.24 1fr0 n ALA 745 Ca -0.00 -0.50 -0.16 0.00 0.00 0.00 0.00 53.44 52.78 1fr0 n ALA 745 Cb 0.19 -0.71 -0.08 0.00 0.00 0.00 0.00 19.45 18.84 1fr0 n ALA 745 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.50 179.85 1fr0 h TRP 746 N 0.00 0.72 0.00 0.00 7.01 -1.75 0.12 115.95 122.05 1fr0 h TRP 746 Ca 0.00 -0.30 0.00 0.00 2.11 0.00 0.00 58.89 60.70 1fr0 h TRP 746 Cb 0.91 -0.12 0.00 0.00 -2.10 0.00 0.00 29.16 27.85 1fr0 h TRP 746 CO 0.00 1.07 0.00 -1.91 -2.79 0.00 0.00 178.44 174.81 1fr0 n GLU 747 N -4.24 0.10 0.00 2.65 4.07 -1.12 -0.25 120.64 121.85 1fr0 n GLU 747 Ca -0.07 0.52 0.06 0.00 -0.06 0.00 0.00 57.16 57.60 1fr0 n GLU 747 Cb 0.58 -1.77 -0.05 0.00 -0.06 0.00 0.00 31.44 30.13 1fr0 n GLU 747 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 1fr0 n ASP 748 N -1.98 0.74 -0.01 4.31 2.03 -1.02 -4.45 116.55 116.18 1fr0 n ASP 748 Ca 0.00 -0.87 0.08 0.00 0.52 0.00 0.00 54.79 54.52 1fr0 n ASP 748 Cb 0.08 0.88 -0.12 0.00 -0.72 0.00 0.00 41.12 41.23 1fr0 n ASP 748 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1fr0 n ASN 749 N -1.02 1.44 -0.39 1.67 3.02 -0.00 -4.57 115.26 115.41 1fr0 n ASN 749 Ca 0.03 -0.00 -0.01 0.00 -0.03 0.00 0.00 54.58 54.57 1fr0 n ASN 749 Cb 0.20 1.71 0.04 0.00 -0.61 0.00 0.00 39.78 41.12 1fr0 n ASN 749 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1fr0 h VAL 750 N 0.00 0.00 -0.73 2.41 2.07 -0.84 0.38 116.25 119.54 1fr0 h VAL 750 Ca 0.00 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.65 1fr0 h VAL 750 Cb 0.71 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.35 1fr0 h VAL 750 CO 0.00 0.00 -0.31 1.23 0.02 0.00 0.00 177.57 178.51 1fr0 h GLY 751 N -0.00 0.11 0.80 2.17 0.00 -1.86 -0.28 103.07 104.01 1fr0 h GLY 751 Ca 0.34 0.41 -0.01 0.00 0.00 0.00 0.00 47.33 48.07 1fr0 h GLY 751 CO -0.99 -0.23 -0.26 -2.09 0.00 0.00 0.00 176.54 172.97 1fr0 h GLU 752 N -0.09 -0.58 -0.85 4.80 4.81 -0.59 -1.67 114.58 120.42 1fr0 h GLU 752 Ca 0.30 0.04 0.18 0.00 -0.13 0.00 0.00 59.36 59.74 1fr0 h GLU 752 Cb 0.57 0.13 -0.16 0.00 0.63 0.00 0.00 28.75 29.92 1fr0 h GLU 752 CO -0.78 -0.39 -0.16 -1.49 -0.73 0.00 0.00 179.01 175.46 1fr0 h TRP 753 N -0.61 -0.35 0.13 0.92 6.55 -0.19 0.24 115.95 122.65 1fr0 h TRP 753 Ca -0.03 0.07 -0.01 0.00 0.95 0.00 0.00 58.89 59.88 1fr0 h TRP 753 Cb 0.52 0.29 0.00 0.00 -0.86 0.00 0.00 29.16 29.11 1fr0 h TRP 753 CO -0.13 -0.35 -0.06 0.82 -1.05 0.00 0.00 178.44 177.66 1fr0 h ILE 754 N 0.02 1.01 0.62 1.49 2.04 -0.97 -0.71 117.51 121.01 1fr0 h ILE 754 Ca 0.43 -0.65 -0.03 0.00 1.00 0.00 0.00 64.86 65.61 1fr0 h ILE 754 Cb 0.69 1.41 0.00 0.00 -0.74 0.00 0.00 36.82 38.19 1fr0 h ILE 754 CO -0.85 0.15 -0.33 -0.33 0.00 0.00 0.00 178.15 176.79 1fr0 h GLU 755 N -0.49 -0.85 -0.43 2.37 5.08 -0.29 -2.21 114.58 117.75 1fr0 h GLU 755 Ca -0.02 0.06 0.06 0.00 -1.00 0.00 0.00 59.36 58.46 1fr0 h GLU 755 Cb 0.39 0.19 -0.05 0.00 0.50 0.00 0.00 28.75 29.78 1fr0 h GLU 755 CO 0.03 -0.57 0.13 1.49 -1.00 0.00 0.00 179.01 179.10 1fr0 h GLU 756 N -0.88 0.28 -0.26 2.33 4.81 -0.65 -2.49 114.58 117.71 1fr0 h GLU 756 Ca -0.08 -0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.19 1fr0 h GLU 756 Cb 0.69 -0.06 -0.08 0.00 0.63 0.00 0.00 28.75 29.93 1fr0 h GLU 756 CO 0.11 0.19 -0.35 1.98 -0.73 0.00 0.00 179.01 180.21 1fr0 h MET 757 N 0.29 -0.34 -0.07 1.92 4.05 -0.96 -2.53 114.93 117.29 1fr0 h MET 757 Ca 0.21 0.02 0.02 0.00 -0.28 0.00 0.00 59.70 59.67 1fr0 h MET 757 Cb 0.22 0.08 -0.05 0.00 -0.80 0.00 0.00 31.60 31.05 1fr0 h MET 757 CO -0.23 -0.23 -0.41 0.87 0.23 0.00 0.00 176.91 177.14 1fr0 h LYS 758 N -0.36 -0.44 -3.09 0.39 1.57 -0.96 -0.36 116.57 113.32 1fr0 h LYS 758 Ca 0.12 0.03 -0.68 0.00 -1.87 0.00 0.00 60.65 58.25 1fr0 h LYS 758 Cb 0.56 0.10 0.01 0.00 0.08 0.00 0.00 32.23 32.98 1fr0 h LYS 758 CO -0.45 -0.30 3.68 0.39 -0.57 0.00 0.00 179.45 182.20 1fr0 n GLU 759 N -4.72 3.67 0.00 3.15 1.02 -0.96 -3.70 120.64 119.10 1fr0 n GLU 759 Ca -0.05 -2.34 0.00 0.00 -0.02 0.00 0.00 57.16 54.75 1fr0 n GLU 759 Cb 0.29 -2.84 0.00 0.00 -0.02 0.00 0.00 31.44 28.87 1fr0 n GLU 759 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1fr0 n GLU 760 N 3.74 0.00 0.01 3.49 4.07 -0.95 -4.91 120.64 126.08 1fr0 n GLU 760 Ca 0.75 0.00 -0.12 0.00 -0.06 0.00 0.00 57.16 57.72 1fr0 n GLU 760 Cb 0.25 0.00 -0.08 0.00 -0.06 0.00 0.00 31.44 31.54 1fr0 n GLU 760 CO 0.00 0.00 0.00 0.11 -0.06 0.00 0.00 177.13 177.18 1fr0 h TRP 761 N 0.00 0.01 -0.71 4.31 5.08 -1.15 -2.60 115.95 120.88 1fr0 h TRP 761 Ca 0.00 -0.00 0.13 0.00 1.08 0.00 0.00 58.89 60.10 1fr0 h TRP 761 Cb 0.00 -0.00 -0.09 0.00 -3.00 0.00 0.00 29.16 26.07 1fr0 h TRP 761 CO 0.00 0.27 0.27 -0.09 -1.28 0.00 0.00 178.44 177.61 1fr0 h ARG 762 N -0.25 0.42 -0.42 0.12 2.43 -1.82 -0.45 114.38 114.41 1fr0 h ARG 762 Ca 0.00 -0.03 0.05 0.00 -0.81 0.00 0.00 59.98 59.19 1fr0 h ARG 762 Cb 0.26 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.68 1fr0 h ARG 762 CO 0.00 0.28 0.17 1.25 -1.51 0.00 0.00 179.97 180.15 1fr0 h HIS 763 N 0.43 0.30 -0.62 2.20 2.76 -1.87 -0.28 115.15 118.07 1fr0 h HIS 763 Ca 0.38 0.02 0.14 0.00 -2.20 0.00 0.00 60.37 58.71 1fr0 h HIS 763 Cb 0.55 -0.07 -0.04 0.00 1.55 0.00 0.00 27.41 29.40 1fr0 h HIS 763 CO -0.17 0.13 0.43 0.22 -1.30 0.00 0.00 177.93 177.23 1fr0 h ASP 764 N 0.35 0.23 0.09 3.26 3.58 -0.70 -2.39 116.42 120.82 1fr0 h ASP 764 Ca 0.19 0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.65 1fr0 h ASP 764 Cb 0.16 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.18 1fr0 h ASP 764 CO -0.18 0.12 -0.04 0.58 -2.88 0.00 0.00 179.24 176.84 1fr0 h VAL 765 N 0.24 0.00 -1.58 2.25 2.07 -0.55 -2.64 116.25 116.05 1fr0 h VAL 765 Ca 0.30 -0.08 0.49 0.00 0.82 0.00 0.00 66.70 68.22 1fr0 h VAL 765 Cb 0.84 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.51 1fr0 h VAL 765 CO -0.06 0.00 1.09 -0.08 0.02 0.00 0.00 177.57 178.54 1fr0 h GLU 766 N -0.20 0.03 0.02 1.57 4.81 -1.35 0.39 114.58 119.87 1fr0 h GLU 766 Ca -0.01 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1fr0 h GLU 766 Cb 0.09 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.46 1fr0 h GLU 766 CO 0.02 0.02 -0.01 0.28 -0.73 0.00 0.00 179.01 178.59 1fr0 h VAL 767 N 0.04 1.26 -0.19 0.32 2.07 -1.40 -2.77 116.25 115.57 1fr0 h VAL 767 Ca 0.85 -0.89 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 1fr0 h VAL 767 Cb 3.05 1.86 -0.01 0.00 -1.52 0.00 0.00 31.29 34.67 1fr0 h VAL 767 CO -0.21 0.23 0.05 0.17 0.02 0.00 0.00 177.57 177.83 1fr0 h LEU 768 N -0.42 0.23 -0.23 2.57 8.10 0.13 -1.94 115.31 123.76 1fr0 h LEU 768 Ca -0.00 -0.02 -0.01 0.00 0.11 0.00 0.00 57.88 57.96 1fr0 h LEU 768 Cb 0.40 -0.06 -0.01 0.00 -0.44 0.00 0.00 40.66 40.55 1fr0 h LEU 768 CO 0.01 0.24 0.11 0.11 -4.11 0.00 0.00 178.44 174.79 1fr0 h LYS 769 N 0.26 0.33 0.00 0.17 1.57 -1.20 -2.22 116.57 115.48 1fr0 h LYS 769 Ca 0.07 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.73 1fr0 h LYS 769 Cb 0.10 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 1fr0 h LYS 769 CO -0.00 0.34 -0.30 0.00 -0.57 0.00 0.00 179.45 178.92 1fr0 h ALA 770 N 0.97 1.38 -0.73 3.86 0.00 -1.16 -2.34 119.26 121.24 1fr0 h ALA 770 Ca 0.08 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.65 1fr0 h ALA 770 Cb 0.12 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1fr0 h ALA 770 CO -0.01 0.37 0.20 2.35 0.00 0.00 0.00 179.25 182.16 1fr0 h TRP 771 N 0.00 1.20 0.00 0.00 7.01 -0.78 -1.65 115.95 121.73 1fr0 h TRP 771 Ca -0.00 -0.13 -0.15 0.00 2.11 0.00 0.00 58.89 60.72 1fr0 h TRP 771 Cb 0.57 -0.34 -0.02 0.00 -2.10 0.00 0.00 29.16 27.27 1fr0 h TRP 771 CO 0.00 0.96 -0.70 0.28 -2.79 0.00 0.00 178.44 176.19 1fr0 h VAL 772 N 1.10 1.28 0.00 2.65 2.07 -1.16 0.22 116.25 122.41 1fr0 h VAL 772 Ca 0.23 -2.62 0.00 0.00 0.82 0.00 0.00 66.70 65.13 1fr0 h VAL 772 Cb 0.34 2.51 0.00 0.00 -1.52 0.00 0.00 31.29 32.63 1fr0 h VAL 772 CO -0.00 0.69 -0.01 0.00 0.02 0.00 0.00 177.57 178.27 1fr0 n ALA 773 N -2.30 2.33 -0.01 1.67 0.00 -0.91 -3.62 120.51 117.67 1fr0 n ALA 773 Ca 0.01 -0.07 -0.02 0.00 0.00 0.00 0.00 53.44 53.36 1fr0 n ALA 773 Cb 0.78 -1.46 -0.01 0.00 0.00 0.00 0.00 19.45 18.76 1fr0 n ALA 773 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1fr0 n LYS 774 N -1.86 0.05 0.24 0.00 4.81 -0.65 -4.83 118.16 115.92 1fr0 n LYS 774 Ca 0.06 0.02 -0.11 0.00 -0.87 0.00 0.00 58.31 57.41 1fr0 n LYS 774 Cb 0.38 -0.72 -0.06 0.00 0.02 0.00 0.00 35.03 34.66 1fr0 n LYS 774 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1fr0 h ALA 775 N -0.06 -1.11 -0.09 3.14 0.00 -0.74 -3.28 119.26 117.13 1fr0 h ALA 775 Ca -0.05 -0.14 -0.36 0.00 0.00 0.00 0.00 54.91 54.35 1fr0 h ALA 775 Cb 1.06 0.39 0.06 0.00 0.00 0.00 0.00 17.79 19.30 1fr0 h ALA 775 CO -0.03 -1.08 0.99 2.41 0.00 0.00 0.00 179.25 181.54 1fr0 n THR 776 N -4.05 0.51 -1.14 0.00 -1.04 -1.24 -4.90 114.28 102.43 1fr0 n THR 776 Ca -0.08 -0.49 -0.34 0.00 -2.04 0.00 0.00 64.05 61.10 1fr0 n THR 776 Cb 0.28 -2.07 0.13 0.00 -1.82 0.00 0.00 70.33 66.85 1fr0 n THR 776 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 1fr0 s LYS 777 N 7.19 1.66 0.00 -2.82 2.20 -1.24 -4.91 119.74 121.81 1fr0 s LYS 777 Ca 0.72 1.77 0.13 0.00 -0.36 0.00 0.00 55.97 58.23 1fr0 s LYS 777 Cb 0.06 -1.78 0.77 0.00 -1.51 0.00 0.00 37.83 35.38 1fr0 s LYS 777 CO 0.23 -2.20 1.20 1.63 -0.36 0.00 0.00 175.35 175.85