#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fr0 n THR 655 N 0.00 3.98 -2.73 4.28 -1.04 -1.26 -4.69 114.28 112.82 1fr0 n THR 655 Ca 0.00 -5.51 -0.04 0.00 -2.04 0.00 0.00 64.05 56.46 1fr0 n THR 655 Cb 0.00 -1.41 0.08 0.00 -1.82 0.00 0.00 70.33 67.17 1fr0 n THR 655 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1fr0 n GLU 656 N -0.25 1.42 0.00 -2.82 1.02 -1.26 -5.12 120.64 113.63 1fr0 n GLU 656 Ca 0.39 -2.56 0.00 0.00 -0.02 0.00 0.00 57.16 54.97 1fr0 n GLU 656 Cb 0.37 -0.72 0.00 0.00 -0.02 0.00 0.00 31.44 31.07 1fr0 n GLU 656 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1fr0 n GLU 657 N -0.74 0.13 -2.04 3.49 2.13 -1.26 -5.06 120.64 117.29 1fr0 n GLU 657 Ca -0.01 0.00 -0.15 0.00 0.66 0.00 0.00 57.16 57.66 1fr0 n GLU 657 Cb 0.83 0.00 0.08 0.00 0.27 0.00 0.00 31.44 32.62 1fr0 n GLU 657 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1fr0 n ASN 658 N -1.56 1.03 -4.57 4.31 0.23 -1.26 -4.96 115.26 108.49 1fr0 n ASN 658 Ca 0.00 -1.84 -0.34 0.00 -0.53 0.00 0.00 54.58 51.87 1fr0 n ASN 658 Cb 0.00 -0.42 -0.04 0.00 -2.08 0.00 0.00 39.78 37.25 1fr0 n ASN 658 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 1fr0 s SER 659 N -3.74 5.84 0.12 0.53 0.15 -1.26 -4.72 113.70 110.61 1fr0 s SER 659 Ca 0.45 -1.33 0.11 0.00 0.70 0.00 0.00 55.95 55.88 1fr0 s SER 659 Cb -0.03 -2.57 -0.15 0.00 -1.71 0.00 0.00 66.02 61.56 1fr0 s SER 659 CO 0.30 -2.14 1.15 0.11 1.20 0.00 0.00 173.24 173.86 1fr0 h LYS 660 N 10.04 0.00 -0.00 5.44 1.57 -1.99 -1.91 116.57 129.72 1fr0 h LYS 660 Ca 0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1fr0 h LYS 660 Cb 0.98 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.29 1fr0 h LYS 660 CO 1.32 0.73 -0.13 -1.13 -0.57 0.00 0.00 179.45 179.67 1fr0 n SER 661 N -3.22 0.62 -0.04 0.86 3.41 -1.26 -3.86 113.62 110.13 1fr0 n SER 661 Ca -0.04 -0.69 -0.04 0.00 -0.26 0.00 0.00 58.87 57.85 1fr0 n SER 661 Cb 0.91 -0.03 -0.05 0.00 -0.26 0.00 0.00 64.21 64.78 1fr0 n SER 661 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1fr0 n GLU 662 N -0.84 2.38 0.15 4.33 2.13 -1.22 -4.17 120.64 123.39 1fr0 n GLU 662 Ca 0.14 0.01 0.12 0.00 0.66 0.00 0.00 57.16 58.09 1fr0 n GLU 662 Cb 0.29 -1.18 0.52 0.00 0.27 0.00 0.00 31.44 31.35 1fr0 n GLU 662 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1fr0 h ALA 663 N 0.28 1.00 0.00 4.31 0.00 -1.47 -2.98 119.26 120.40 1fr0 h ALA 663 Ca -0.19 0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.35 1fr0 h ALA 663 Cb 1.40 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 19.12 1fr0 h ALA 663 CO 0.00 0.00 -2.39 1.28 0.00 0.00 0.00 179.25 178.14 1fr0 n LEU 664 N -2.33 0.21 -4.27 0.00 4.77 -1.25 -4.52 117.00 109.61 1fr0 n LEU 664 Ca 0.02 -0.01 -0.15 0.00 -0.03 0.00 0.00 56.01 55.84 1fr0 n LEU 664 Cb 0.22 0.40 -0.10 0.00 -2.33 0.00 0.00 43.42 41.61 1fr0 n LEU 664 CO 0.20 0.53 -0.35 -1.48 -1.33 0.00 0.00 177.39 174.95 1fr0 s LEU 665 N -5.57 2.26 -0.42 2.23 2.34 -1.13 -1.39 118.68 117.01 1fr0 s LEU 665 Ca -0.12 -1.15 -0.25 0.00 0.06 0.00 0.00 54.13 52.67 1fr0 s LEU 665 Cb 0.06 -0.21 0.02 0.00 -0.56 0.00 0.00 46.19 45.50 1fr0 s LEU 665 CO 0.81 -0.49 0.91 -0.62 -1.06 0.00 0.00 176.35 175.91 1fr0 s ASP 666 N -3.22 6.57 -0.05 1.48 -1.08 0.43 -4.53 116.67 116.28 1fr0 s ASP 666 Ca 0.23 0.30 -0.25 0.00 -0.52 0.00 0.00 52.55 52.32 1fr0 s ASP 666 Cb 0.05 -2.45 -0.22 0.00 -1.46 0.00 0.00 42.92 38.84 1fr0 s ASP 666 CO 0.05 -0.95 1.09 0.40 0.52 0.00 0.00 175.17 176.28 1fr0 h ILE 667 N 5.96 1.52 0.02 4.11 5.03 -1.89 -2.48 117.51 129.78 1fr0 h ILE 667 Ca -0.24 -1.70 -0.00 0.00 -0.12 0.00 0.00 64.86 62.80 1fr0 h ILE 667 Cb 1.08 2.60 0.00 0.00 -3.03 0.00 0.00 36.82 37.46 1fr0 h ILE 667 CO 1.00 0.46 -0.01 1.55 -0.68 0.00 0.00 178.15 180.47 1fr0 h PRO 668 N -0.53 -0.02 -0.51 2.37 0.13 -1.99 -2.34 132.00 129.10 1fr0 h PRO 668 Ca -0.01 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 65.18 1fr0 h PRO 668 Cb 0.81 0.01 -0.05 0.00 0.13 0.00 0.00 31.00 31.90 1fr0 h PRO 668 CO 0.02 0.53 0.23 1.98 -0.23 0.00 0.00 178.00 180.53 1fr0 h MET 669 N -0.60 0.42 0.11 0.86 4.05 -1.98 -2.19 114.93 115.60 1fr0 h MET 669 Ca -0.00 -0.03 0.01 0.00 -0.28 0.00 0.00 59.70 59.40 1fr0 h MET 669 Cb 0.57 -0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 31.26 1fr0 h MET 669 CO 0.00 0.28 -0.14 -0.07 0.23 0.00 0.00 176.91 177.22 1fr0 h LEU 670 N 0.44 -0.37 -0.86 3.39 3.38 -1.48 -1.43 115.31 118.38 1fr0 h LEU 670 Ca 0.24 0.04 0.22 0.00 0.09 0.00 0.00 57.88 58.47 1fr0 h LEU 670 Cb 0.21 0.13 -0.14 0.00 0.09 0.00 0.00 40.66 40.95 1fr0 h LEU 670 CO -0.20 -0.20 0.23 -0.08 0.09 0.00 0.00 178.44 178.28 1fr0 h GLU 671 N -0.29 0.23 0.13 1.13 4.81 -0.89 0.60 114.58 120.31 1fr0 h GLU 671 Ca 0.01 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1fr0 h GLU 671 Cb 0.29 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.62 1fr0 h GLU 671 CO -0.06 0.15 -0.06 0.37 -0.73 0.00 0.00 179.01 178.68 1fr0 h GLN 672 N 0.23 -0.17 -0.79 1.92 4.15 -0.77 -2.18 115.11 117.51 1fr0 h GLN 672 Ca 0.53 0.01 0.18 0.00 0.77 0.00 0.00 58.65 60.14 1fr0 h GLN 672 Cb 1.03 0.04 -0.12 0.00 0.21 0.00 0.00 27.48 28.65 1fr0 h GLN 672 CO -0.62 0.01 0.22 1.88 -1.93 0.00 0.00 178.83 178.38 1fr0 h TYR 673 N -0.32 0.34 -0.18 3.99 -1.99 0.10 0.97 116.97 119.89 1fr0 h TYR 673 Ca -0.02 0.04 -0.03 0.00 2.00 0.00 0.00 58.73 60.73 1fr0 h TYR 673 Cb 0.26 -0.03 -0.01 0.00 2.00 0.00 0.00 36.73 38.95 1fr0 h TYR 673 CO -0.02 -0.10 -0.01 -0.07 -0.00 0.00 0.00 178.16 177.95 1fr0 h LEU 674 N 0.28 0.23 -0.34 3.88 3.38 -0.97 -0.51 115.31 121.26 1fr0 h LEU 674 Ca 0.46 -0.03 -0.15 0.00 0.09 0.00 0.00 57.88 58.26 1fr0 h LEU 674 Cb 0.83 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 1fr0 h LEU 674 CO -0.54 0.29 -0.70 -0.08 0.09 0.00 0.00 178.44 177.49 1fr0 h GLU 675 N 0.25 0.00 0.02 1.13 4.57 0.14 0.17 114.58 120.86 1fr0 h GLU 675 Ca 0.06 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.24 1fr0 h GLU 675 Cb 0.20 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.79 1fr0 h GLU 675 CO 0.00 0.70 -0.01 -0.07 -1.18 0.00 0.00 179.01 178.46 1fr0 h LEU 676 N 0.00 -0.02 0.00 1.64 3.38 0.49 -3.43 115.31 117.37 1fr0 h LEU 676 Ca -0.01 -0.74 0.00 0.00 0.09 0.00 0.00 57.88 57.22 1fr0 h LEU 676 Cb 1.39 0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.14 1fr0 h LEU 676 CO 0.09 0.77 -0.68 0.52 0.09 0.00 0.00 178.44 179.23 1fr0 n VAL 677 N -4.72 0.00 0.00 1.22 0.31 -0.30 -5.10 118.33 109.74 1fr0 n VAL 677 Ca -0.09 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.24 1fr0 n VAL 677 Cb 0.37 -0.67 0.00 0.00 -0.91 0.00 0.00 33.84 32.63 1fr0 n VAL 677 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1fr0 n GLY 678 N 2.19 -0.68 0.00 2.92 0.00 0.60 -4.26 105.19 105.96 1fr0 n GLY 678 Ca 0.00 -1.93 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 0.00 0.62 -0.02 1.61 -0.04 -1.26 -3.47 135.00 132.44 1fr0 n PRO 679 Ca 0.00 0.01 -0.13 0.00 -0.04 0.00 0.00 63.50 63.34 1fr0 n PRO 679 Cb 0.00 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 31.86 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 -0.01 0.00 0.54 1.79 -1.96 1.00 116.57 117.93 1fr0 h LYS 680 Ca 0.00 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 58.38 1fr0 h LYS 680 Cb 0.03 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.67 1fr0 h LYS 680 CO 0.00 0.57 -0.42 1.25 -1.08 0.00 0.00 179.45 179.77 1fr0 h LEU 681 N -0.59 0.00 0.10 2.94 5.85 -1.83 -2.12 115.31 119.65 1fr0 h LEU 681 Ca -0.00 0.00 -0.23 0.00 0.84 0.00 0.00 57.88 58.49 1fr0 h LEU 681 Cb 0.58 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.60 1fr0 h LEU 681 CO 0.00 0.41 -1.16 0.40 -0.34 0.00 0.00 178.44 177.76 1fr0 h ILE 682 N 0.00 1.17 0.04 4.05 1.08 -1.61 -2.93 117.51 119.31 1fr0 h ILE 682 Ca -0.00 -2.39 -0.00 0.00 -0.39 0.00 0.00 64.86 62.07 1fr0 h ILE 682 Cb 1.32 2.81 0.00 0.00 -3.07 0.00 0.00 36.82 37.88 1fr0 h ILE 682 CO 0.05 0.65 -0.02 0.74 -0.69 0.00 0.00 178.15 178.89 1fr0 h THR 683 N -0.46 0.79 0.12 -0.27 2.02 -0.91 -1.99 112.91 112.20 1fr0 h THR 683 Ca -0.25 -1.49 -0.01 0.00 0.77 0.00 0.00 66.41 65.43 1fr0 h THR 683 Cb 1.62 1.46 0.00 0.00 -1.74 0.00 0.00 68.15 69.49 1fr0 h THR 683 CO 0.04 0.26 -0.06 -0.78 0.37 0.00 0.00 175.52 175.35 1fr0 h ASP 684 N -0.98 -0.13 -0.39 4.18 3.58 -1.45 -0.20 116.42 121.04 1fr0 h ASP 684 Ca -0.01 -0.05 0.01 0.00 0.42 0.00 0.00 57.03 57.41 1fr0 h ASP 684 Cb 0.47 0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.53 1fr0 h ASP 684 CO 0.01 -0.04 0.25 1.23 -2.88 0.00 0.00 179.24 177.81 1fr0 h GLY 685 N -0.21 0.54 2.00 -0.78 0.00 -1.56 -1.23 103.07 101.84 1fr0 h GLY 685 Ca -0.02 -0.19 -0.01 0.00 0.00 0.00 0.00 47.33 47.11 1fr0 h GLY 685 CO 0.03 0.18 -0.03 -2.00 0.00 0.00 0.00 176.54 174.72 1fr0 h LEU 686 N 0.51 0.00 0.68 3.11 5.85 -1.15 -2.59 115.31 121.70 1fr0 h LEU 686 Ca 0.15 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.83 1fr0 h LEU 686 Cb -0.04 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.00 1fr0 h LEU 686 CO -0.04 0.03 -0.32 0.00 -0.34 0.00 0.00 178.44 177.77 1fr0 h ALA 687 N 1.97 -0.91 -0.54 1.25 0.00 0.20 0.90 119.26 122.13 1fr0 h ALA 687 Ca -0.00 -0.21 0.10 0.00 0.00 0.00 0.00 54.91 54.80 1fr0 h ALA 687 Cb 0.06 0.35 -0.08 0.00 0.00 0.00 0.00 17.79 18.12 1fr0 h ALA 687 CO 0.00 -0.87 0.05 0.28 0.00 0.00 0.00 179.25 178.71 1fr0 h VAL 688 N -1.19 0.61 0.00 0.00 2.07 -1.31 0.29 116.25 116.71 1fr0 h VAL 688 Ca -0.09 -0.06 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 1fr0 h VAL 688 Cb 0.72 0.43 -0.00 0.00 -1.52 0.00 0.00 31.29 30.91 1fr0 h VAL 688 CO 0.15 0.03 -0.11 0.15 0.02 0.00 0.00 177.57 177.81 1fr0 h PHE 689 N 0.17 0.00 -0.06 1.57 3.57 -1.46 -2.74 116.94 117.99 1fr0 h PHE 689 Ca 0.28 0.00 -0.23 0.00 3.53 0.00 0.00 57.97 61.55 1fr0 h PHE 689 Cb 0.42 0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.17 1fr0 h PHE 689 CO -0.29 0.11 -0.89 0.93 -2.23 0.00 0.00 178.31 175.95 1fr0 h GLU 690 N 0.00 0.60 -0.31 1.11 4.39 0.21 0.27 114.58 120.85 1fr0 h GLU 690 Ca -0.00 -0.57 -0.16 0.00 0.34 0.00 0.00 59.36 58.97 1fr0 h GLU 690 Cb 0.46 0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 29.25 1fr0 h GLU 690 CO 0.01 1.18 -0.43 0.87 -1.16 0.00 0.00 179.01 179.49 1fr0 h LYS 691 N 0.37 0.83 -0.10 2.33 1.79 -0.98 -3.08 116.57 117.73 1fr0 h LYS 691 Ca -0.08 -0.48 0.00 0.00 -2.18 0.00 0.00 60.65 57.91 1fr0 h LYS 691 Cb 1.51 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 32.20 1fr0 h LYS 691 CO 0.17 1.12 0.00 -1.33 -1.08 0.00 0.00 179.45 178.33 1fr0 n MET 692 N -4.11 2.01 0.35 3.15 2.81 -1.06 -4.29 117.12 115.99 1fr0 n MET 692 Ca -0.04 -1.49 -0.17 0.00 -1.81 0.00 0.00 57.70 54.20 1fr0 n MET 692 Cb 0.56 -1.46 -0.09 0.00 -0.71 0.00 0.00 33.22 31.52 1fr0 n MET 692 CO 0.00 0.00 0.00 0.52 1.51 0.00 0.00 175.97 178.00 1fr0 h MET 693 N 3.38 -0.84 -0.06 0.03 2.86 -0.36 0.85 114.93 120.78 1fr0 h MET 693 Ca 0.00 0.06 -0.10 0.00 -2.06 0.00 0.00 59.70 57.60 1fr0 h MET 693 Cb 0.73 0.19 -0.01 0.00 0.06 0.00 0.00 31.60 32.56 1fr0 h MET 693 CO 0.00 -0.53 -0.42 -1.00 1.06 0.00 0.00 176.91 176.02 1fr0 h PRO 694 N -0.98 0.14 -0.18 -0.22 0.13 -1.76 -2.68 132.00 126.44 1fr0 h PRO 694 Ca -0.09 -0.06 -0.13 0.00 -0.87 0.00 0.00 66.00 64.84 1fr0 h PRO 694 Cb 0.70 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.82 1fr0 h PRO 694 CO 0.15 0.54 -0.46 0.78 -0.23 0.00 0.00 178.00 178.78 1fr0 h GLY 695 N 1.26 0.49 0.86 1.56 0.00 -1.72 -2.01 103.07 103.51 1fr0 h GLY 695 Ca 0.01 -0.51 -0.05 0.00 0.00 0.00 0.00 47.33 46.78 1fr0 h GLY 695 CO 0.06 0.46 -0.01 -0.97 0.00 0.00 0.00 176.54 176.08 1fr0 h TYR 696 N 0.36 0.53 -0.60 5.60 0.05 -0.52 -2.75 116.97 119.64 1fr0 h TYR 696 Ca 0.02 -0.10 -0.06 0.00 0.05 0.00 0.00 58.73 58.65 1fr0 h TYR 696 Cb 0.94 -0.14 -0.03 0.00 1.01 0.00 0.00 36.73 38.52 1fr0 h TYR 696 CO 0.03 0.65 0.15 0.28 -1.05 0.00 0.00 178.16 178.22 1fr0 h VAL 697 N 0.26 1.24 0.22 -2.88 2.07 -1.41 -2.38 116.25 113.37 1fr0 h VAL 697 Ca 0.07 -0.88 0.01 0.00 0.82 0.00 0.00 66.70 66.73 1fr0 h VAL 697 Cb 0.45 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 1fr0 h VAL 697 CO 0.02 0.33 -0.35 0.28 0.02 0.00 0.00 177.57 177.87 1fr0 h SER 698 N 0.90 -0.98 -0.19 0.57 0.02 -1.18 -0.25 113.55 112.45 1fr0 h SER 698 Ca 0.19 0.10 0.05 0.00 -0.84 0.00 0.00 61.79 61.30 1fr0 h SER 698 Cb 0.32 0.35 -0.01 0.00 0.14 0.00 0.00 62.40 63.21 1fr0 h SER 698 CO -0.00 -0.46 0.14 1.62 -1.14 0.00 0.00 176.83 176.99 1fr0 h VAL 699 N -0.64 0.87 0.59 2.27 3.04 -1.36 -2.44 116.25 118.58 1fr0 h VAL 699 Ca 0.01 0.00 -0.03 0.00 -1.01 0.00 0.00 66.70 65.67 1fr0 h VAL 699 Cb 0.63 0.90 0.01 0.00 -2.01 0.00 0.00 31.29 30.82 1fr0 h VAL 699 CO -0.14 0.00 -0.28 0.25 -1.01 0.00 0.00 177.57 176.38 1fr0 h LEU 700 N 0.00 -0.67 -0.66 3.16 7.12 -0.54 -2.32 115.31 121.39 1fr0 h LEU 700 Ca 0.09 -0.02 0.13 0.00 0.13 0.00 0.00 57.88 58.21 1fr0 h LEU 700 Cb 0.36 0.17 -0.09 0.00 -0.53 0.00 0.00 40.66 40.57 1fr0 h LEU 700 CO -0.00 -0.40 0.16 -0.08 -0.13 0.00 0.00 178.44 177.99 1fr0 h GLU 701 N -0.92 0.27 -0.78 1.25 4.81 -0.84 0.91 114.58 119.28 1fr0 h GLU 701 Ca -0.08 -0.02 0.12 0.00 -0.13 0.00 0.00 59.36 59.25 1fr0 h GLU 701 Cb 0.65 -0.06 -0.08 0.00 0.63 0.00 0.00 28.75 29.89 1fr0 h GLU 701 CO 0.13 0.18 0.39 1.03 -0.73 0.00 0.00 179.01 180.02 1fr0 h SER 702 N 0.28 0.48 -0.59 1.04 0.87 -1.32 -0.36 113.55 113.96 1fr0 h SER 702 Ca 0.36 0.08 -0.08 0.00 -1.23 0.00 0.00 61.79 60.92 1fr0 h SER 702 Cb 0.56 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.49 1fr0 h SER 702 CO -0.44 0.24 0.08 0.78 -0.53 0.00 0.00 176.83 176.96 1fr0 h ASN 703 N 0.61 0.97 0.16 6.23 2.35 -0.30 -2.27 115.58 123.33 1fr0 h ASN 703 Ca 0.41 -0.23 0.01 0.00 -0.55 0.00 0.00 56.30 55.94 1fr0 h ASN 703 Cb 0.52 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.59 1fr0 h ASN 703 CO -0.32 0.98 -0.30 0.25 -1.65 0.00 0.00 177.43 176.38 1fr0 h LEU 704 N 0.95 -0.85 -1.74 1.61 7.12 0.01 0.14 115.31 122.54 1fr0 h LEU 704 Ca 0.19 0.09 0.00 0.00 0.13 0.00 0.00 57.88 58.29 1fr0 h LEU 704 Cb 0.44 0.31 0.00 0.00 -0.53 0.00 0.00 40.66 40.88 1fr0 h LEU 704 CO 0.01 -0.40 0.00 0.74 -0.13 0.00 0.00 178.44 178.67 1fr0 h THR 705 N -0.54 0.00 -0.61 1.05 2.02 -1.38 -1.10 112.91 112.35 1fr0 h THR 705 Ca 0.02 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 67.00 1fr0 h THR 705 Cb 0.55 1.04 0.00 0.00 -1.74 0.00 0.00 68.15 68.01 1fr0 h THR 705 CO -0.15 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.74 1fr0 n ALA 706 N -1.96 2.78 -3.66 6.16 0.00 0.01 -4.93 120.51 118.90 1fr0 n ALA 706 Ca -0.01 -1.30 -0.23 0.00 0.00 0.00 0.00 53.44 51.90 1fr0 n ALA 706 Cb 0.17 -1.00 0.06 0.00 0.00 0.00 0.00 19.45 18.68 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 1.17 -6.18 -2.60 0.00 3.00 -0.40 -4.89 117.38 107.48 1fr0 n GLN 707 Ca 0.23 0.72 -0.41 0.00 -0.01 0.00 0.00 57.00 57.52 1fr0 n GLN 707 Cb 0.71 -5.58 0.02 0.00 0.00 0.00 0.00 30.24 25.39 1fr0 n GLN 707 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 1fr0 n ASP 708 N -3.01 7.40 0.21 1.08 8.00 0.29 -4.75 116.55 125.76 1fr0 n ASP 708 Ca -0.15 -3.67 0.17 0.00 0.71 0.00 0.00 54.79 51.85 1fr0 n ASP 708 Cb 0.61 -1.18 0.82 0.00 -0.02 0.00 0.00 41.12 41.36 1fr0 n ASP 708 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1fr0 h LYS 709 N 4.21 0.00 0.26 -1.24 1.57 -1.90 -1.61 116.57 117.86 1fr0 h LYS 709 Ca 0.55 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.31 1fr0 h LYS 709 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.63 1fr0 h LYS 709 CO 1.20 0.00 -0.13 0.87 -0.57 0.00 0.00 179.45 180.82 1fr0 h LYS 710 N 0.00 -0.34 -0.83 3.15 1.57 -1.98 -2.48 116.57 115.66 1fr0 h LYS 710 Ca 0.08 0.02 0.14 0.00 -1.87 0.00 0.00 60.65 59.02 1fr0 h LYS 710 Cb 0.43 0.08 -0.06 0.00 0.08 0.00 0.00 32.23 32.76 1fr0 h LYS 710 CO -0.00 -0.23 0.54 0.78 -0.57 0.00 0.00 179.45 179.97 1fr0 h GLY 711 N -0.83 0.99 0.53 3.86 0.00 -1.93 -0.77 103.07 104.93 1fr0 h GLY 711 Ca -0.04 -0.25 -0.03 0.00 0.00 0.00 0.00 47.33 47.02 1fr0 h GLY 711 CO 0.06 0.09 -0.26 -2.22 0.00 0.00 0.00 176.54 174.21 1fr0 h ILE 712 N 0.59 0.00 -0.50 2.60 2.04 -1.36 0.11 117.51 120.99 1fr0 h ILE 712 Ca 0.41 -0.12 0.14 0.00 1.00 0.00 0.00 64.86 66.29 1fr0 h ILE 712 Cb 0.74 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.80 1fr0 h ILE 712 CO -0.16 0.00 0.36 0.58 0.00 0.00 0.00 178.15 178.92 1fr0 h VAL 713 N -0.83 0.77 0.00 1.67 2.07 -1.20 0.14 116.25 118.86 1fr0 h VAL 713 Ca -0.07 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.43 1fr0 h VAL 713 Cb 0.55 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 31.04 1fr0 h VAL 713 CO 0.12 0.01 0.00 -0.62 0.02 0.00 0.00 177.57 177.10 1fr0 n GLU 714 N -4.40 0.00 -0.53 1.57 -0.58 -0.32 -3.19 120.64 113.19 1fr0 n GLU 714 Ca 0.09 0.00 0.45 0.00 -0.42 0.00 0.00 57.16 57.28 1fr0 n GLU 714 Cb 0.55 -0.31 0.72 0.00 -0.57 0.00 0.00 31.44 31.83 1fr0 n GLU 714 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1fr0 h GLU 715 N 0.00 0.00 0.00 3.49 3.07 -0.86 -0.48 114.58 119.80 1fr0 h GLU 715 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1fr0 h GLU 715 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1fr0 h GLU 715 CO 0.00 0.00 0.00 0.41 -1.40 0.00 0.00 179.01 178.02 1fr0 n GLY 716 N -1.85 -2.40 0.47 -3.84 0.00 0.49 -1.03 105.19 97.03 1fr0 n GLY 716 Ca 0.37 0.00 0.25 0.00 0.00 0.00 0.00 46.02 46.63 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 0.02 1.61 2.07 -1.05 0.29 115.15 118.09 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 0.22 0.00 -0.01 -0.22 -3.07 0.00 0.00 177.93 174.85 1fr0 h LYS 718 N 0.00 -0.03 0.45 5.12 3.11 -1.05 -2.62 116.57 121.55 1fr0 h LYS 718 Ca 0.36 0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 58.18 1fr0 h LYS 718 Cb 2.15 0.01 0.00 0.00 -1.00 0.00 0.00 32.23 33.39 1fr0 h LYS 718 CO -0.00 0.61 -0.21 0.82 -2.81 0.00 0.00 179.45 177.85 1fr0 h ILE 719 N -0.70 0.00 -0.97 2.00 2.04 0.12 -2.58 117.51 117.43 1fr0 h ILE 719 Ca -0.00 -0.55 0.28 0.00 1.00 0.00 0.00 64.86 65.59 1fr0 h ILE 719 Cb 0.65 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.69 1fr0 h ILE 719 CO 0.00 0.00 0.86 0.11 0.00 0.00 0.00 178.15 179.12 1fr0 h LYS 720 N -1.15 0.00 0.09 2.37 6.56 -1.29 0.12 116.57 123.28 1fr0 h LYS 720 Ca -0.06 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.52 1fr0 h LYS 720 Cb 0.46 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.12 1fr0 h LYS 720 CO 0.10 0.00 -0.05 0.78 -2.06 0.00 0.00 179.45 178.23 1fr0 h GLY 721 N 0.00 -0.13 0.76 3.86 0.00 -1.36 -1.87 103.07 104.32 1fr0 h GLY 721 Ca 0.46 0.05 0.06 0.00 0.00 0.00 0.00 47.33 47.90 1fr0 h GLY 721 CO -0.00 -0.05 0.59 0.00 0.00 0.00 0.00 176.54 177.08 1fr0 h ALA 722 N -0.07 1.27 0.24 3.60 0.00 -0.41 0.36 119.26 124.25 1fr0 h ALA 722 Ca -0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1fr0 h ALA 722 Cb 0.58 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1fr0 h ALA 722 CO 0.02 0.38 -0.12 0.00 0.00 0.00 0.00 179.25 179.53 1fr0 h ALA 723 N 1.42 -0.32 0.00 0.00 0.00 -1.28 -2.24 119.26 116.83 1fr0 h ALA 723 Ca 0.40 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 1fr0 h ALA 723 Cb 0.14 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1fr0 h ALA 723 CO -0.16 -0.59 -0.01 0.78 0.00 0.00 0.00 179.25 179.27 1fr0 h GLY 724 N -0.51 0.00 2.00 0.00 0.00 -0.93 -1.17 103.07 102.46 1fr0 h GLY 724 Ca -0.03 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.25 1fr0 h GLY 724 CO 0.05 0.00 -0.24 0.23 0.00 0.00 0.00 176.54 176.58 1fr0 h SER 725 N 0.00 0.00 0.03 0.19 0.87 0.30 -2.23 113.55 112.71 1fr0 h SER 725 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1fr0 h SER 725 Cb 0.28 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.24 1fr0 h SER 725 CO 0.00 0.24 -0.03 0.52 -0.53 0.00 0.00 176.83 177.03 1fr0 n VAL 726 N -3.40 0.00 0.00 2.23 0.31 -0.50 -4.84 118.33 112.13 1fr0 n VAL 726 Ca 0.00 -0.20 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 1fr0 n VAL 726 Cb 0.45 0.33 0.00 0.00 -0.91 0.00 0.00 33.84 33.70 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 1.17 1.24 3.22 2.92 0.00 -0.84 -4.96 105.19 107.95 1fr0 n GLY 727 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 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 5.81 0.31 0.99 4.77 -0.84 -0.42 117.00 127.61 1fr0 n LEU 728 Ca 0.00 -4.59 0.19 0.00 -0.03 0.00 0.00 56.01 51.57 1fr0 n LEU 728 Cb 0.00 -1.55 0.97 0.00 -2.33 0.00 0.00 43.42 40.52 1fr0 n LEU 728 CO 0.00 1.04 1.10 0.08 -1.33 0.00 0.00 177.39 178.28 1fr0 h ARG 729 N 6.52 0.00 -0.19 3.23 0.11 -1.64 -2.52 114.38 119.89 1fr0 h ARG 729 Ca 0.33 0.00 -0.06 0.00 0.10 0.00 0.00 59.98 60.35 1fr0 h ARG 729 Cb 0.77 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.85 1fr0 h ARG 729 CO 1.38 0.03 -0.12 1.25 0.10 0.00 0.00 179.97 182.60 1fr0 h HIS 730 N 0.00 0.49 -0.26 4.08 2.76 -1.46 -2.63 115.15 118.12 1fr0 h HIS 730 Ca -0.00 -0.13 -0.05 0.00 -2.20 0.00 0.00 60.37 57.99 1fr0 h HIS 730 Cb 0.18 -0.11 -0.01 0.00 1.55 0.00 0.00 27.41 29.02 1fr0 h HIS 730 CO 0.00 0.74 -0.01 -0.07 -1.30 0.00 0.00 177.93 177.29 1fr0 h LEU 731 N 0.09 0.47 -0.95 0.26 -0.00 -1.70 -2.44 115.31 111.03 1fr0 h LEU 731 Ca 0.04 -0.32 0.12 0.00 -0.00 0.00 0.00 57.88 57.71 1fr0 h LEU 731 Cb 0.63 -0.13 -0.08 0.00 -0.00 0.00 0.00 40.66 41.08 1fr0 h LEU 731 CO 0.03 0.68 0.58 -0.61 -0.00 0.00 0.00 178.44 179.12 1fr0 h GLN 732 N 0.24 0.88 -0.29 1.13 -0.00 -1.42 -1.79 115.11 113.86 1fr0 h GLN 732 Ca 0.07 -0.05 -0.07 0.00 -0.00 0.00 0.00 58.65 58.60 1fr0 h GLN 732 Cb 0.45 -0.20 -0.01 0.00 0.00 0.00 0.00 27.48 27.72 1fr0 h GLN 732 CO 0.02 0.58 -0.10 1.96 0.00 0.00 0.00 178.83 181.29 1fr0 h GLN 733 N 0.91 0.58 0.10 1.69 7.50 -1.31 -1.73 115.11 122.85 1fr0 h GLN 733 Ca 0.48 -0.23 0.02 0.00 0.50 0.00 0.00 58.65 59.41 1fr0 h GLN 733 Cb 0.49 -0.03 -0.03 0.00 0.05 0.00 0.00 27.48 27.96 1fr0 h GLN 733 CO -0.27 0.79 -0.26 -0.07 -1.50 0.00 0.00 178.83 177.52 1fr0 h LEU 734 N 0.34 -0.73 -0.09 1.46 4.07 -0.86 -2.43 115.31 117.07 1fr0 h LEU 734 Ca 0.07 0.09 0.00 0.00 0.08 0.00 0.00 57.88 58.12 1fr0 h LEU 734 Cb 0.59 0.28 -0.01 0.00 1.08 0.00 0.00 40.66 42.61 1fr0 h LEU 734 CO 0.03 -0.34 0.05 1.23 -1.08 0.00 0.00 178.44 178.33 1fr0 h GLY 735 N -0.45 0.12 -0.78 0.83 0.00 -1.42 -1.98 103.07 99.40 1fr0 h GLY 735 Ca 0.04 -0.04 0.34 0.00 0.00 0.00 0.00 47.33 47.66 1fr0 h GLY 735 CO -0.16 0.04 0.40 -1.61 0.00 0.00 0.00 176.54 175.21 1fr0 h GLN 736 N 0.11 0.12 -0.00 4.80 4.15 -0.95 1.16 115.11 124.50 1fr0 h GLN 736 Ca 0.03 -0.01 -0.19 0.00 0.77 0.00 0.00 58.65 59.26 1fr0 h GLN 736 Cb -0.00 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.65 1fr0 h GLN 736 CO -0.02 0.08 -0.85 1.96 -1.93 0.00 0.00 178.83 178.07 1fr0 h GLN 737 N 0.12 0.18 -0.05 1.69 7.50 -0.93 -3.03 115.11 120.59 1fr0 h GLN 737 Ca 0.72 -0.19 0.01 0.00 0.50 0.00 0.00 58.65 59.70 1fr0 h GLN 737 Cb 1.72 0.05 -0.00 0.00 0.05 0.00 0.00 27.48 29.30 1fr0 h GLN 737 CO -0.74 0.93 0.07 0.82 -1.50 0.00 0.00 178.83 178.41 1fr0 h ILE 738 N 0.10 0.39 0.00 2.54 1.08 0.21 0.14 117.51 121.98 1fr0 h ILE 738 Ca -0.04 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.43 1fr0 h ILE 738 Cb 1.47 0.94 0.00 0.00 -3.07 0.00 0.00 36.82 36.16 1fr0 h ILE 738 CO 0.13 0.00 0.00 1.67 -0.69 0.00 0.00 178.15 179.26 1fr0 n GLN 739 N -3.65 0.79 -2.41 2.37 0.00 -0.85 -3.59 117.38 110.04 1fr0 n GLN 739 Ca -0.02 0.00 -0.29 0.00 -0.00 0.00 0.00 57.00 56.69 1fr0 n GLN 739 Cb 0.16 -1.37 0.00 0.00 0.00 0.00 0.00 30.24 29.03 1fr0 n GLN 739 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1fr0 n SER 740 N -0.87 5.23 -2.44 1.69 2.88 0.49 -4.90 113.62 115.71 1fr0 n SER 740 Ca 0.14 -3.74 -0.06 0.00 -1.33 0.00 0.00 58.87 53.88 1fr0 n SER 740 Cb 0.06 -0.58 -0.05 0.00 -0.75 0.00 0.00 64.21 62.89 1fr0 n SER 740 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1fr0 n PRO 741 N -0.47 0.80 0.00 -1.46 -0.04 -1.24 -2.81 135.00 129.79 1fr0 n PRO 741 Ca 0.41 -0.47 0.00 0.00 -0.04 0.00 0.00 63.50 63.41 1fr0 n PRO 741 Cb 0.56 -1.77 0.00 0.00 -0.04 0.00 0.00 33.50 32.26 1fr0 n PRO 741 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1fr0 n ASP 742 N 3.07 1.73 -4.76 3.54 9.92 -1.26 -4.96 116.55 123.83 1fr0 n ASP 742 Ca 0.17 -0.00 -0.41 0.00 -0.53 0.00 0.00 54.79 54.02 1fr0 n ASP 742 Cb 0.29 0.35 -0.02 0.00 -0.64 0.00 0.00 41.12 41.10 1fr0 n ASP 742 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1fr0 s LEU 743 N -1.05 4.42 0.28 0.64 1.02 -1.12 -4.87 118.68 118.00 1fr0 s LEU 743 Ca 0.00 2.61 0.23 0.00 0.02 0.00 0.00 54.13 56.99 1fr0 s LEU 743 Cb 0.00 -3.64 1.03 0.00 0.02 0.00 0.00 46.19 43.61 1fr0 s LEU 743 CO 0.00 -0.55 1.71 -0.81 0.02 0.00 0.00 176.35 176.72 1fr0 n PRO 744 N 1.48 0.19 -0.01 1.29 -0.04 -1.26 -1.90 135.00 134.75 1fr0 n PRO 744 Ca 0.02 0.47 0.11 0.00 -0.04 0.00 0.00 63.50 64.06 1fr0 n PRO 744 Cb 0.42 -1.90 -0.17 0.00 -0.04 0.00 0.00 33.50 31.81 1fr0 n PRO 744 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1fr0 n ALA 745 N -1.78 2.78 0.07 0.55 0.00 -1.26 -4.13 120.51 116.73 1fr0 n ALA 745 Ca 0.01 -0.52 -0.21 0.00 0.00 0.00 0.00 53.44 52.72 1fr0 n ALA 745 Cb 0.19 -0.73 -0.12 0.00 0.00 0.00 0.00 19.45 18.78 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 0.96 0.00 0.00 7.01 -1.74 -1.17 115.95 121.02 1fr0 h TRP 746 Ca -0.01 -0.58 0.00 0.00 2.11 0.00 0.00 58.89 60.41 1fr0 h TRP 746 Cb 1.00 -0.09 0.00 0.00 -2.10 0.00 0.00 29.16 27.97 1fr0 h TRP 746 CO 0.00 1.42 0.00 -1.91 -2.79 0.00 0.00 178.44 175.16 1fr0 n GLU 747 N -3.87 0.67 -0.00 2.65 2.13 -1.03 -0.95 120.64 120.24 1fr0 n GLU 747 Ca -0.13 0.02 0.02 0.00 0.66 0.00 0.00 57.16 57.72 1fr0 n GLU 747 Cb 0.92 -1.50 -0.02 0.00 0.27 0.00 0.00 31.44 31.11 1fr0 n GLU 747 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1fr0 n ASP 748 N -1.07 2.60 -0.00 4.31 2.03 -1.17 -4.65 116.55 118.59 1fr0 n ASP 748 Ca 0.17 -0.23 0.03 0.00 0.52 0.00 0.00 54.79 55.28 1fr0 n ASP 748 Cb 0.11 1.09 -0.04 0.00 -0.72 0.00 0.00 41.12 41.56 1fr0 n ASP 748 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 1fr0 n ASN 749 N -1.40 0.81 -0.32 1.67 6.94 -0.45 -4.62 115.26 117.90 1fr0 n ASN 749 Ca -0.00 -0.54 0.16 0.00 -0.02 0.00 0.00 54.58 54.19 1fr0 n ASN 749 Cb 0.07 1.04 0.36 0.00 -2.36 0.00 0.00 39.78 38.89 1fr0 n ASN 749 CO 0.00 0.00 0.00 0.58 -1.03 0.00 0.00 177.26 176.81 1fr0 h VAL 750 N 0.00 0.42 -0.78 3.53 2.07 -1.25 0.17 116.25 120.41 1fr0 h VAL 750 Ca 0.00 -0.13 0.17 0.00 0.82 0.00 0.00 66.70 67.56 1fr0 h VAL 750 Cb 0.16 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 29.79 1fr0 h VAL 750 CO 0.00 0.07 -0.12 1.23 0.02 0.00 0.00 177.57 178.77 1fr0 h GLY 751 N 0.38 0.68 2.00 2.17 0.00 -1.84 0.71 103.07 107.16 1fr0 h GLY 751 Ca 0.61 0.21 -0.13 0.00 0.00 0.00 0.00 47.33 48.03 1fr0 h GLY 751 CO -0.56 -0.31 -0.60 0.83 0.00 0.00 0.00 176.54 175.91 1fr0 h GLU 752 N 0.03 0.00 -0.13 4.80 5.08 -1.03 -2.72 114.58 120.62 1fr0 h GLU 752 Ca 0.40 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.77 1fr0 h GLU 752 Cb 0.65 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 1fr0 h GLU 752 CO -0.77 0.60 0.04 2.35 -1.00 0.00 0.00 179.01 180.23 1fr0 h TRP 753 N 0.00 0.06 -0.33 4.33 2.91 0.11 0.14 115.95 123.17 1fr0 h TRP 753 Ca -0.01 0.01 -0.11 0.00 1.13 0.00 0.00 58.89 59.91 1fr0 h TRP 753 Cb 1.12 -0.01 -0.01 0.00 -0.51 0.00 0.00 29.16 29.75 1fr0 h TRP 753 CO 0.00 0.03 -0.23 0.82 -1.03 0.00 0.00 178.44 178.03 1fr0 h ILE 754 N 0.10 1.29 -0.00 2.65 2.04 -1.24 -1.40 117.51 120.95 1fr0 h ILE 754 Ca 0.05 -1.37 0.01 0.00 1.00 0.00 0.00 64.86 64.56 1fr0 h ILE 754 Cb 0.04 1.45 -0.02 0.00 -0.74 0.00 0.00 36.82 37.54 1fr0 h ILE 754 CO -0.06 0.45 -0.07 -0.08 0.00 0.00 0.00 178.15 178.38 1fr0 h GLU 755 N 0.51 -0.12 -0.57 2.37 4.57 -1.21 -1.33 114.58 118.81 1fr0 h GLU 755 Ca 0.07 0.01 -0.04 0.00 -1.18 0.00 0.00 59.36 58.21 1fr0 h GLU 755 Cb 0.78 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 29.37 1fr0 h GLU 755 CO 0.06 -0.08 0.18 1.49 -1.18 0.00 0.00 179.01 179.49 1fr0 h GLU 756 N -0.12 0.85 -0.46 1.92 4.81 -0.71 -2.49 114.58 118.38 1fr0 h GLU 756 Ca 0.03 -0.15 0.01 0.00 -0.13 0.00 0.00 59.36 59.11 1fr0 h GLU 756 Cb 0.16 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 1fr0 h GLU 756 CO -0.07 0.73 0.30 1.98 -0.73 0.00 0.00 179.01 181.21 1fr0 h MET 757 N 0.83 0.58 0.61 1.92 4.05 -0.64 -2.95 114.93 119.34 1fr0 h MET 757 Ca 0.19 -0.04 -0.03 0.00 -0.28 0.00 0.00 59.70 59.54 1fr0 h MET 757 Cb 0.23 -0.13 0.01 0.00 -0.80 0.00 0.00 31.60 30.91 1fr0 h MET 757 CO -0.01 0.39 -0.29 0.87 0.23 0.00 0.00 176.91 178.09 1fr0 h LYS 758 N 0.60 -0.79 -2.05 0.39 1.57 -0.94 0.96 116.57 116.30 1fr0 h LYS 758 Ca 0.17 0.05 -0.22 0.00 -1.87 0.00 0.00 60.65 58.78 1fr0 h LYS 758 Cb -0.05 0.18 -0.07 0.00 0.08 0.00 0.00 32.23 32.37 1fr0 h LYS 758 CO -0.05 -0.49 -0.16 0.39 -0.57 0.00 0.00 179.45 178.58 1fr0 n GLU 759 N -5.40 2.10 0.00 3.15 -0.58 -0.97 -3.76 120.64 115.19 1fr0 n GLU 759 Ca -0.12 -1.11 0.00 0.00 -0.42 0.00 0.00 57.16 55.51 1fr0 n GLU 759 Cb 0.35 -2.04 0.00 0.00 -0.57 0.00 0.00 31.44 29.18 1fr0 n GLU 759 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1fr0 n GLU 760 N 2.49 0.00 -0.12 3.49 4.07 -1.12 -4.93 120.64 124.52 1fr0 n GLU 760 Ca 0.45 0.00 -0.05 0.00 -0.06 0.00 0.00 57.16 57.50 1fr0 n GLU 760 Cb 0.87 0.00 0.03 0.00 -0.06 0.00 0.00 31.44 32.28 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 0.08 -0.45 4.31 5.08 -0.90 -2.17 115.95 121.91 1fr0 h TRP 761 Ca 0.00 0.03 0.09 0.00 1.08 0.00 0.00 58.89 60.08 1fr0 h TRP 761 Cb 0.00 0.02 -0.10 0.00 -3.00 0.00 0.00 29.16 26.09 1fr0 h TRP 761 CO 0.00 -0.02 -0.29 -0.09 -1.28 0.00 0.00 178.44 176.77 1fr0 h ARG 762 N 0.17 -0.19 -1.00 0.12 2.43 -1.80 0.32 114.38 114.43 1fr0 h ARG 762 Ca 0.19 0.01 0.19 0.00 -0.81 0.00 0.00 59.98 59.57 1fr0 h ARG 762 Cb 0.25 0.04 -0.10 0.00 -0.42 0.00 0.00 29.97 29.73 1fr0 h ARG 762 CO -0.27 -0.12 0.61 1.25 -1.51 0.00 0.00 179.97 179.93 1fr0 h HIS 763 N -0.19 1.05 -0.19 2.20 2.76 -1.75 0.20 115.15 119.24 1fr0 h HIS 763 Ca 0.20 0.03 0.02 0.00 -2.20 0.00 0.00 60.37 58.42 1fr0 h HIS 763 Cb 0.51 -0.32 -0.02 0.00 1.55 0.00 0.00 27.41 29.14 1fr0 h HIS 763 CO -0.53 0.24 0.06 0.22 -1.30 0.00 0.00 177.93 176.62 1fr0 h ASP 764 N 0.76 0.06 0.67 3.26 3.58 -0.03 -1.14 116.42 123.57 1fr0 h ASP 764 Ca 0.58 0.02 -0.11 0.00 0.42 0.00 0.00 57.03 57.94 1fr0 h ASP 764 Cb 0.91 0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.96 1fr0 h ASP 764 CO -0.37 0.06 -0.52 1.62 -2.88 0.00 0.00 179.24 177.15 1fr0 h VAL 765 N 0.15 1.25 0.62 2.25 3.04 -0.45 -1.72 116.25 121.39 1fr0 h VAL 765 Ca 0.08 -1.86 -0.03 0.00 -1.01 0.00 0.00 66.70 63.88 1fr0 h VAL 765 Cb 0.05 2.03 0.01 0.00 -2.01 0.00 0.00 31.29 31.37 1fr0 h VAL 765 CO -0.09 0.51 -0.30 -0.08 -1.01 0.00 0.00 177.57 176.60 1fr0 h GLU 766 N 0.00 -0.80 0.17 4.17 4.81 -0.08 -1.78 114.58 121.06 1fr0 h GLU 766 Ca -0.01 0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 1fr0 h GLU 766 Cb 0.99 0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.56 1fr0 h GLU 766 CO 0.07 -0.49 -0.08 0.28 -0.73 0.00 0.00 179.01 178.05 1fr0 h VAL 767 N -1.11 0.83 -0.89 0.32 2.07 -1.28 -2.29 116.25 113.90 1fr0 h VAL 767 Ca -0.09 0.00 0.22 0.00 0.82 0.00 0.00 66.70 67.66 1fr0 h VAL 767 Cb 0.68 0.83 -0.16 0.00 -1.52 0.00 0.00 31.29 31.12 1fr0 h VAL 767 CO 0.14 0.00 0.01 0.25 0.02 0.00 0.00 177.57 177.99 1fr0 h LEU 768 N -0.23 -0.44 0.06 2.57 5.85 -1.34 0.27 115.31 122.05 1fr0 h LEU 768 Ca -0.02 0.24 0.02 0.00 0.84 0.00 0.00 57.88 58.96 1fr0 h LEU 768 Cb 0.18 0.43 -0.03 0.00 0.37 0.00 0.00 40.66 41.61 1fr0 h LEU 768 CO 0.04 -0.27 -0.17 0.50 -0.34 0.00 0.00 178.44 178.20 1fr0 h LYS 769 N 0.06 -0.30 -0.56 1.25 3.11 -0.75 -2.38 116.57 117.00 1fr0 h LYS 769 Ca 0.51 0.02 0.04 0.00 -2.81 0.00 0.00 60.65 58.41 1fr0 h LYS 769 Cb 0.98 0.07 -0.04 0.00 -1.00 0.00 0.00 32.23 32.24 1fr0 h LYS 769 CO -0.82 -0.20 0.32 0.00 -2.81 0.00 0.00 179.45 175.95 1fr0 h ALA 770 N 0.57 0.73 -0.16 5.00 0.00 -0.29 -2.60 119.26 122.51 1fr0 h ALA 770 Ca 0.03 0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.98 1fr0 h ALA 770 Cb 0.34 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 17.93 1fr0 h ALA 770 CO -0.11 0.02 -0.48 2.35 0.00 0.00 0.00 179.25 181.02 1fr0 h TRP 771 N 0.63 -1.41 -0.87 0.00 7.01 -0.42 0.81 115.95 121.69 1fr0 h TRP 771 Ca 0.24 0.06 0.17 0.00 2.11 0.00 0.00 58.89 61.47 1fr0 h TRP 771 Cb 0.08 0.64 -0.07 0.00 -2.10 0.00 0.00 29.16 27.71 1fr0 h TRP 771 CO -0.07 -0.51 0.57 0.28 -2.79 0.00 0.00 178.44 175.92 1fr0 h VAL 772 N -0.52 0.75 0.02 2.65 2.07 -1.20 2.15 116.25 122.17 1fr0 h VAL 772 Ca 0.06 -0.17 -0.13 0.00 0.82 0.00 0.00 66.70 67.28 1fr0 h VAL 772 Cb 0.65 0.20 0.01 0.00 -1.52 0.00 0.00 31.29 30.63 1fr0 h VAL 772 CO -0.43 0.09 -0.51 0.00 0.02 0.00 0.00 177.57 176.74 1fr0 h ALA 773 N 1.62 0.03 -0.70 1.67 0.00 -0.48 -3.31 119.26 118.10 1fr0 h ALA 773 Ca 0.45 -0.56 -0.32 0.00 0.00 0.00 0.00 54.91 54.49 1fr0 h ALA 773 Cb 0.96 0.04 -0.19 0.00 0.00 0.00 0.00 17.79 18.60 1fr0 h ALA 773 CO -0.18 0.26 0.31 1.63 0.00 0.00 0.00 179.25 181.26 1fr0 n LYS 774 N -4.30 2.49 -0.01 0.00 5.02 0.26 -4.20 118.16 117.41 1fr0 n LYS 774 Ca -0.11 -3.07 -0.00 0.00 -2.02 0.00 0.00 58.31 53.11 1fr0 n LYS 774 Cb 0.64 -2.06 -0.00 0.00 -0.02 0.00 0.00 35.03 33.59 1fr0 n LYS 774 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1fr0 h ALA 775 N 1.42 0.00 0.00 7.82 0.00 0.34 -3.43 119.26 125.41 1fr0 h ALA 775 Ca 0.39 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1fr0 h ALA 775 Cb 2.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 20.09 1fr0 h ALA 775 CO 0.75 0.00 -0.03 2.41 0.00 0.00 0.00 179.25 182.38 1fr0 n THR 776 N -2.63 0.78 -4.00 0.00 -1.04 -1.26 -5.07 114.28 101.05 1fr0 n THR 776 Ca -0.00 -0.82 -0.00 0.00 -2.04 0.00 0.00 64.05 61.19 1fr0 n THR 776 Cb 0.00 0.55 -0.00 0.00 -1.82 0.00 0.00 70.33 69.06 1fr0 n THR 776 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1fr0 n LYS 777 N -0.45 0.35 0.00 -2.82 5.02 -1.26 -5.20 118.16 113.80 1fr0 n LYS 777 Ca 0.02 -0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1fr0 n LYS 777 Cb 0.39 0.01 0.00 0.00 -0.02 0.00 0.00 35.03 35.41 1fr0 n LYS 777 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05