#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 -0.61 0.00 4.28 -1.04 -1.26 -4.84 114.28 110.81 1fr0 n THR 655 Ca 0.00 0.77 0.00 0.00 -2.04 0.00 0.00 64.05 62.78 1fr0 n THR 655 Cb 0.00 -1.23 0.00 0.00 -1.82 0.00 0.00 70.33 67.28 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 -4.23 0.00 -3.46 -2.82 1.02 -1.26 -4.92 120.64 104.97 1fr0 n GLU 656 Ca -0.07 0.00 -0.24 0.00 -0.02 0.00 0.00 57.16 56.83 1fr0 n GLU 656 Cb 0.65 -0.21 -0.12 0.00 -0.02 0.00 0.00 31.44 31.74 1fr0 n GLU 656 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1fr0 s GLU 657 N -0.04 0.36 -0.45 3.49 2.12 -1.26 -5.06 118.70 117.86 1fr0 s GLU 657 Ca 0.00 -0.60 0.06 0.00 0.36 0.00 0.00 54.97 54.79 1fr0 s GLU 657 Cb 0.00 -0.96 0.19 0.00 0.26 0.00 0.00 34.13 33.61 1fr0 s GLU 657 CO 0.00 -1.08 0.71 -0.80 -0.54 0.00 0.00 175.26 173.54 1fr0 s ASN 658 N 1.90 -1.41 0.12 -1.70 0.02 -1.26 -4.98 114.94 107.63 1fr0 s ASN 658 Ca 0.12 -1.13 0.12 0.00 -1.02 0.00 0.00 52.86 50.95 1fr0 s ASN 658 Cb -0.17 1.82 0.57 0.00 0.02 0.00 0.00 41.25 43.49 1fr0 s ASN 658 CO -0.24 -0.11 1.36 -1.54 0.02 0.00 0.00 177.10 176.59 1fr0 n SER 659 N 3.72 0.24 0.15 -1.22 3.41 -1.26 -3.02 113.62 115.64 1fr0 n SER 659 Ca 0.14 0.59 -0.14 0.00 -0.26 0.00 0.00 58.87 59.19 1fr0 n SER 659 Cb 0.57 -0.63 -0.07 0.00 -0.26 0.00 0.00 64.21 63.82 1fr0 n SER 659 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1fr0 h LYS 660 N 0.00 -0.63 -0.20 4.33 6.56 -1.99 -2.44 116.57 122.21 1fr0 h LYS 660 Ca 0.00 0.04 0.05 0.00 -1.06 0.00 0.00 60.65 59.69 1fr0 h LYS 660 Cb 0.10 0.14 -0.07 0.00 -0.57 0.00 0.00 32.23 31.83 1fr0 h LYS 660 CO 0.00 -0.42 -0.37 0.66 -2.06 0.00 0.00 179.45 177.26 1fr0 h SER 661 N -0.65 -1.16 -0.98 0.86 4.64 -1.95 -0.04 113.55 114.26 1fr0 h SER 661 Ca 0.01 0.17 0.30 0.00 -0.47 0.00 0.00 61.79 61.80 1fr0 h SER 661 Cb 0.65 0.50 -0.15 0.00 -0.31 0.00 0.00 62.40 63.09 1fr0 h SER 661 CO -0.17 -0.38 0.50 -0.08 -0.87 0.00 0.00 176.83 175.83 1fr0 h GLU 662 N -0.40 0.31 0.00 4.77 4.22 -1.67 1.60 114.58 123.41 1fr0 h GLU 662 Ca 0.10 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.53 1fr0 h GLU 662 Cb 0.58 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1fr0 h GLU 662 CO -0.42 0.21 0.00 0.00 -2.18 0.00 0.00 179.01 176.62 1fr0 n ALA 663 N -2.38 2.27 0.36 2.92 0.00 -0.14 -3.25 120.51 120.29 1fr0 n ALA 663 Ca 0.29 -0.08 0.11 0.00 0.00 0.00 0.00 53.44 53.76 1fr0 n ALA 663 Cb 0.90 -1.45 -0.15 0.00 0.00 0.00 0.00 19.45 18.74 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 -1.67 0.37 -3.73 0.00 4.77 0.52 -4.45 117.00 112.81 1fr0 n LEU 664 Ca 0.06 -0.18 -0.11 0.00 -0.03 0.00 0.00 56.01 55.75 1fr0 n LEU 664 Cb 0.35 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.37 1fr0 n LEU 664 CO 0.27 0.09 0.05 -1.48 -1.33 0.00 0.00 177.39 174.99 1fr0 s LEU 665 N -3.96 0.82 -0.32 2.23 2.34 0.23 -3.10 118.68 116.92 1fr0 s LEU 665 Ca -0.02 -0.32 -0.26 0.00 0.06 0.00 0.00 54.13 53.59 1fr0 s LEU 665 Cb 0.15 1.45 0.01 0.00 -0.56 0.00 0.00 46.19 47.24 1fr0 s LEU 665 CO 0.89 -0.72 0.94 -0.62 -1.06 0.00 0.00 176.35 175.79 1fr0 s ASP 666 N -2.46 6.79 0.03 1.48 -1.08 -0.68 -4.52 116.67 116.23 1fr0 s ASP 666 Ca -0.00 0.83 -0.23 0.00 -0.52 0.00 0.00 52.55 52.62 1fr0 s ASP 666 Cb 0.01 -2.48 -0.16 0.00 -1.46 0.00 0.00 42.92 38.84 1fr0 s ASP 666 CO -0.08 -0.77 1.40 0.40 0.52 0.00 0.00 175.17 176.64 1fr0 h ILE 667 N 5.69 1.30 0.04 4.11 5.03 -1.91 -2.23 117.51 129.54 1fr0 h ILE 667 Ca -0.22 -0.97 -0.00 0.00 -0.12 0.00 0.00 64.86 63.54 1fr0 h ILE 667 Cb 1.08 1.79 0.00 0.00 -3.03 0.00 0.00 36.82 36.66 1fr0 h ILE 667 CO 0.97 0.27 -0.02 1.55 -0.68 0.00 0.00 178.15 180.24 1fr0 h PRO 668 N -0.19 -0.05 -0.38 2.37 0.13 -1.99 -2.13 132.00 129.76 1fr0 h PRO 668 Ca 0.02 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 65.23 1fr0 h PRO 668 Cb 0.44 0.01 -0.07 0.00 0.13 0.00 0.00 31.00 31.51 1fr0 h PRO 668 CO 0.01 0.46 -0.09 1.98 -0.23 0.00 0.00 178.00 180.13 1fr0 h MET 669 N -0.58 0.00 0.01 0.86 4.05 -1.98 0.15 114.93 117.44 1fr0 h MET 669 Ca -0.01 -0.00 0.02 0.00 -0.28 0.00 0.00 59.70 59.44 1fr0 h MET 669 Cb 0.53 -0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.30 1fr0 h MET 669 CO 0.01 0.00 -0.14 -0.07 0.23 0.00 0.00 176.91 176.94 1fr0 h LEU 670 N 0.00 -0.40 -1.08 3.39 3.38 -1.43 -1.44 115.31 117.74 1fr0 h LEU 670 Ca 0.18 0.06 0.13 0.00 0.09 0.00 0.00 57.88 58.33 1fr0 h LEU 670 Cb 0.28 0.17 -0.08 0.00 0.09 0.00 0.00 40.66 41.11 1fr0 h LEU 670 CO -0.39 -0.19 0.62 -0.08 0.09 0.00 0.00 178.44 178.49 1fr0 h GLU 671 N -0.24 0.90 0.16 1.13 4.22 -0.62 -2.43 114.58 117.70 1fr0 h GLU 671 Ca 0.04 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 59.44 1fr0 h GLU 671 Cb 0.29 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 1fr0 h GLU 671 CO -0.13 0.59 -0.39 0.37 -2.18 0.00 0.00 179.01 177.27 1fr0 h GLN 672 N 0.92 -0.59 -0.92 1.92 4.15 0.37 -0.96 115.11 120.01 1fr0 h GLN 672 Ca 0.49 0.04 0.24 0.00 0.77 0.00 0.00 58.65 60.19 1fr0 h GLN 672 Cb 0.54 0.13 -0.13 0.00 0.21 0.00 0.00 27.48 28.23 1fr0 h GLN 672 CO -0.25 -0.39 0.41 1.88 -1.93 0.00 0.00 178.83 178.55 1fr0 h TYR 673 N -0.61 0.68 -1.00 3.99 0.05 -1.13 0.40 116.97 119.34 1fr0 h TYR 673 Ca -0.01 0.04 0.10 0.00 0.05 0.00 0.00 58.73 58.90 1fr0 h TYR 673 Cb 0.59 -0.15 -0.08 0.00 1.01 0.00 0.00 36.73 38.10 1fr0 h TYR 673 CO -0.37 -0.09 0.64 -0.07 -1.05 0.00 0.00 178.16 177.23 1fr0 h LEU 674 N 0.37 0.97 0.02 3.88 -0.00 -0.83 0.21 115.31 119.94 1fr0 h LEU 674 Ca 0.60 0.03 -0.00 0.00 -0.00 0.00 0.00 57.88 58.50 1fr0 h LEU 674 Cb 1.18 -0.17 0.00 0.00 -0.00 0.00 0.00 40.66 41.67 1fr0 h LEU 674 CO -0.56 0.57 -0.01 -0.33 -0.00 0.00 0.00 178.44 178.11 1fr0 h GLU 675 N 1.07 -0.03 -0.86 1.13 4.39 0.62 -2.50 114.58 118.41 1fr0 h GLU 675 Ca 0.47 0.00 0.22 0.00 0.34 0.00 0.00 59.36 60.38 1fr0 h GLU 675 Cb 0.35 0.01 -0.15 0.00 -0.10 0.00 0.00 28.75 28.85 1fr0 h GLU 675 CO -0.22 -0.02 0.05 1.37 -1.16 0.00 0.00 179.01 179.03 1fr0 h LEU 676 N -0.09 -0.33 0.00 1.33 8.10 -1.41 -3.39 115.31 119.52 1fr0 h LEU 676 Ca -0.00 0.22 0.00 0.00 0.11 0.00 0.00 57.88 58.21 1fr0 h LEU 676 Cb 0.02 0.38 0.00 0.00 -0.44 0.00 0.00 40.66 40.62 1fr0 h LEU 676 CO 0.00 -0.23 0.00 0.52 -4.11 0.00 0.00 178.44 174.62 1fr0 n VAL 677 N -5.37 0.00 -0.75 0.15 0.31 0.03 -5.10 118.33 107.60 1fr0 n VAL 677 Ca 0.18 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.51 1fr0 n VAL 677 Cb 0.60 -0.60 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 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 3.54 0.34 0.00 2.92 0.00 0.51 -4.84 105.19 107.66 1fr0 n GLY 678 Ca 0.00 -1.43 0.09 0.00 0.00 0.00 0.00 46.02 44.68 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 0.22 0.09 1.61 -0.04 -1.26 -2.83 135.00 132.78 1fr0 n PRO 679 Ca 0.00 0.12 -0.06 0.00 -0.04 0.00 0.00 63.50 63.52 1fr0 n PRO 679 Cb 0.00 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 31.96 1fr0 n PRO 679 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1fr0 h LYS 680 N 0.00 0.07 0.03 0.54 3.64 -1.94 0.60 116.57 119.52 1fr0 h LYS 680 Ca 0.00 -0.08 -0.22 0.00 -1.27 0.00 0.00 60.65 59.07 1fr0 h LYS 680 Cb 0.20 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 1fr0 h LYS 680 CO 0.00 0.88 -1.03 1.25 -2.27 0.00 0.00 179.45 178.29 1fr0 h LEU 681 N 0.04 0.14 0.00 5.20 7.12 -1.87 -2.88 115.31 123.07 1fr0 h LEU 681 Ca -0.02 -0.15 -0.20 0.00 0.13 0.00 0.00 57.88 57.64 1fr0 h LEU 681 Cb 1.50 -0.05 -0.03 0.00 -0.53 0.00 0.00 40.66 41.55 1fr0 h LEU 681 CO 0.12 1.07 -1.14 0.40 -0.13 0.00 0.00 178.44 178.76 1fr0 h ILE 682 N 0.03 0.83 -0.87 4.05 2.04 -1.66 -3.11 117.51 118.82 1fr0 h ILE 682 Ca -0.05 -2.04 0.06 0.00 1.00 0.00 0.00 64.86 63.83 1fr0 h ILE 682 Cb 1.75 1.99 -0.06 0.00 -0.74 0.00 0.00 36.82 39.76 1fr0 h ILE 682 CO 0.15 0.28 0.54 0.74 0.00 0.00 0.00 178.15 179.86 1fr0 h THR 683 N -1.00 1.04 0.00 -0.27 2.02 -1.04 0.13 112.91 113.80 1fr0 h THR 683 Ca -0.30 -0.34 0.00 0.00 0.77 0.00 0.00 66.41 66.54 1fr0 h THR 683 Cb 1.20 -0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.58 1fr0 h THR 683 CO -0.18 0.18 0.00 -0.67 0.37 0.00 0.00 175.52 175.22 1fr0 n ASP 684 N -4.61 0.00 -0.41 4.18 -0.08 -1.09 -1.24 116.55 113.31 1fr0 n ASP 684 Ca 0.13 0.62 0.33 0.00 -1.51 0.00 0.00 54.79 54.36 1fr0 n ASP 684 Cb 0.18 -0.41 0.62 0.00 2.34 0.00 0.00 41.12 43.85 1fr0 n ASP 684 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 1fr0 h GLY 685 N 0.00 1.12 1.79 0.27 0.00 -1.59 1.09 103.07 105.76 1fr0 h GLY 685 Ca 0.00 -0.13 -0.16 0.00 0.00 0.00 0.00 47.33 47.04 1fr0 h GLY 685 CO 0.00 -0.27 -0.71 -2.00 0.00 0.00 0.00 176.54 173.56 1fr0 h LEU 686 N 0.17 0.24 0.47 3.11 5.85 -0.78 -2.16 115.31 122.21 1fr0 h LEU 686 Ca 0.74 -0.16 -0.02 0.00 0.84 0.00 0.00 57.88 59.27 1fr0 h LEU 686 Cb 2.29 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 43.25 1fr0 h LEU 686 CO -0.33 0.87 -0.23 0.00 -0.34 0.00 0.00 178.44 178.41 1fr0 h ALA 687 N 1.12 -0.63 -0.93 1.25 0.00 0.27 0.89 119.26 121.23 1fr0 h ALA 687 Ca -0.02 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1fr0 h ALA 687 Cb 1.26 0.25 -0.05 0.00 0.00 0.00 0.00 17.79 19.25 1fr0 h ALA 687 CO 0.11 -0.70 0.56 -0.24 0.00 0.00 0.00 179.25 178.98 1fr0 h VAL 688 N -0.94 1.26 0.00 0.00 3.04 -1.51 -1.39 116.25 116.70 1fr0 h VAL 688 Ca -0.06 -0.55 -0.05 0.00 -1.01 0.00 0.00 66.70 65.02 1fr0 h VAL 688 Cb 0.59 -0.06 -0.01 0.00 -2.01 0.00 0.00 31.29 29.80 1fr0 h VAL 688 CO 0.11 0.27 -0.23 0.15 -1.01 0.00 0.00 177.57 176.86 1fr0 h PHE 689 N 1.28 0.00 -0.18 3.17 3.57 -1.36 -2.24 116.94 121.18 1fr0 h PHE 689 Ca 0.33 0.00 -0.18 0.00 3.53 0.00 0.00 57.97 61.66 1fr0 h PHE 689 Cb -0.06 0.00 0.01 0.00 2.79 0.00 0.00 35.95 38.69 1fr0 h PHE 689 CO 0.01 0.23 -0.58 0.93 -2.23 0.00 0.00 178.31 176.67 1fr0 h GLU 690 N 0.00 0.71 0.00 1.11 4.39 0.30 0.20 114.58 121.28 1fr0 h GLU 690 Ca -0.00 -0.52 -0.06 0.00 0.34 0.00 0.00 59.36 59.12 1fr0 h GLU 690 Cb 0.71 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.44 1fr0 h GLU 690 CO 0.03 1.14 -0.29 1.57 -1.16 0.00 0.00 179.01 180.30 1fr0 h LYS 691 N 0.41 0.00 -0.02 2.33 2.10 -1.34 -3.07 116.57 116.98 1fr0 h LYS 691 Ca -0.02 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 1fr0 h LYS 691 Cb 1.20 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.53 1fr0 h LYS 691 CO 0.12 0.29 -0.18 -1.33 -2.00 0.00 0.00 179.45 176.36 1fr0 n MET 692 N -3.27 1.89 -0.06 0.07 2.81 -0.85 -4.39 117.12 113.32 1fr0 n MET 692 Ca 0.02 -1.56 -0.11 0.00 -1.81 0.00 0.00 57.70 54.24 1fr0 n MET 692 Cb 0.57 -1.47 -0.05 0.00 -0.71 0.00 0.00 33.22 31.56 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 3.80 0.31 -0.19 0.03 2.86 -0.49 -1.35 114.93 119.90 1fr0 h MET 693 Ca 0.00 -0.07 -0.18 0.00 -2.06 0.00 0.00 59.70 57.39 1fr0 h MET 693 Cb 0.90 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 32.52 1fr0 h MET 693 CO 0.00 0.43 -0.62 -1.00 1.06 0.00 0.00 176.91 176.79 1fr0 h PRO 694 N 0.13 0.64 -0.35 -0.22 0.13 -1.77 -2.66 132.00 127.91 1fr0 h PRO 694 Ca 0.06 -0.44 -0.07 0.00 -0.87 0.00 0.00 66.00 64.68 1fr0 h PRO 694 Cb 0.26 0.07 -0.02 0.00 0.13 0.00 0.00 31.00 31.44 1fr0 h PRO 694 CO 0.00 1.06 -0.09 0.78 -0.23 0.00 0.00 178.00 179.52 1fr0 h GLY 695 N 0.94 0.63 0.65 1.56 0.00 -1.75 -1.65 103.07 103.46 1fr0 h GLY 695 Ca -0.01 -0.43 -0.03 0.00 0.00 0.00 0.00 47.33 46.86 1fr0 h GLY 695 CO 0.12 0.40 -0.31 -0.97 0.00 0.00 0.00 176.54 175.78 1fr0 h TYR 696 N 0.54 -0.81 -0.87 5.60 0.05 -1.14 -2.75 116.97 117.58 1fr0 h TYR 696 Ca 0.10 -0.02 0.18 0.00 0.05 0.00 0.00 58.73 59.04 1fr0 h TYR 696 Cb 0.48 0.27 -0.07 0.00 1.01 0.00 0.00 36.73 38.43 1fr0 h TYR 696 CO 0.02 -0.51 0.57 -0.39 -1.05 0.00 0.00 178.16 176.81 1fr0 h VAL 697 N -1.22 0.73 0.02 -2.88 -1.51 -1.47 -0.90 116.25 109.02 1fr0 h VAL 697 Ca -0.09 -0.16 0.01 0.00 -1.23 0.00 0.00 66.70 65.23 1fr0 h VAL 697 Cb 0.67 0.21 -0.02 0.00 -2.13 0.00 0.00 31.29 30.03 1fr0 h VAL 697 CO 0.15 0.09 -0.09 0.77 -1.23 0.00 0.00 177.57 177.25 1fr0 h SER 698 N 0.48 -0.26 0.12 4.19 4.64 -1.21 -0.95 113.55 120.55 1fr0 h SER 698 Ca 0.45 0.04 -0.02 0.00 -0.47 0.00 0.00 61.79 61.79 1fr0 h SER 698 Cb 1.01 0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 63.20 1fr0 h SER 698 CO -0.18 -0.14 -0.09 0.58 -0.87 0.00 0.00 176.83 176.13 1fr0 h VAL 699 N -0.17 0.93 0.43 0.95 2.07 -0.89 -2.66 116.25 116.92 1fr0 h VAL 699 Ca 0.03 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 67.20 1fr0 h VAL 699 Cb 0.20 1.18 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 1fr0 h VAL 699 CO -0.08 0.09 -0.21 0.25 0.02 0.00 0.00 177.57 177.64 1fr0 h LEU 700 N 0.00 -0.49 -1.04 2.57 5.85 -0.47 -2.12 115.31 119.61 1fr0 h LEU 700 Ca -0.00 -0.10 0.16 0.00 0.84 0.00 0.00 57.88 58.78 1fr0 h LEU 700 Cb 0.17 0.13 -0.10 0.00 0.37 0.00 0.00 40.66 41.23 1fr0 h LEU 700 CO 0.01 -0.14 0.62 -0.33 -0.34 0.00 0.00 178.44 178.26 1fr0 h GLU 701 N -0.89 0.81 -0.67 1.25 3.07 -1.07 0.11 114.58 117.19 1fr0 h GLU 701 Ca -0.06 -0.05 -0.04 0.00 -0.50 0.00 0.00 59.36 58.71 1fr0 h GLU 701 Cb 0.57 -0.18 -0.03 0.00 -0.84 0.00 0.00 28.75 28.26 1fr0 h GLU 701 CO 0.10 0.54 0.26 1.03 -1.40 0.00 0.00 179.01 179.54 1fr0 h SER 702 N 0.84 0.91 0.42 1.42 0.87 -1.36 -2.41 113.55 114.23 1fr0 h SER 702 Ca 0.54 -0.13 -0.02 0.00 -1.23 0.00 0.00 61.79 60.95 1fr0 h SER 702 Cb 0.75 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.48 1fr0 h SER 702 CO -0.32 0.82 -0.20 0.78 -0.53 0.00 0.00 176.83 177.37 1fr0 h ASN 703 N 0.97 -0.47 -0.99 6.23 4.21 -0.11 -2.37 115.58 123.04 1fr0 h ASN 703 Ca 0.23 -0.11 0.25 0.00 1.21 0.00 0.00 56.30 57.88 1fr0 h ASN 703 Cb 0.20 0.12 -0.07 0.00 -1.12 0.00 0.00 38.32 37.44 1fr0 h ASN 703 CO -0.02 -0.13 0.66 0.25 -1.29 0.00 0.00 177.43 176.90 1fr0 h LEU 704 N -0.85 0.35 -0.71 1.61 5.85 -1.26 0.39 115.31 120.70 1fr0 h LEU 704 Ca -0.06 0.05 -0.13 0.00 0.84 0.00 0.00 57.88 58.59 1fr0 h LEU 704 Cb 0.55 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 1fr0 h LEU 704 CO 0.09 0.10 -0.41 0.74 -0.34 0.00 0.00 178.44 178.62 1fr0 h THR 705 N 0.32 1.30 -0.34 1.05 2.02 -1.20 -2.56 112.91 113.50 1fr0 h THR 705 Ca 0.53 -1.57 0.00 0.00 0.77 0.00 0.00 66.41 66.15 1fr0 h THR 705 Cb 1.48 1.57 0.00 0.00 -1.74 0.00 0.00 68.15 69.47 1fr0 h THR 705 CO -0.20 0.49 0.00 0.00 0.37 0.00 0.00 175.52 176.18 1fr0 n ALA 706 N -2.50 2.65 -2.98 6.16 0.00 0.13 -4.89 120.51 119.08 1fr0 n ALA 706 Ca -0.02 -0.73 -0.20 0.00 0.00 0.00 0.00 53.44 52.50 1fr0 n ALA 706 Cb 0.51 -1.00 0.04 0.00 0.00 0.00 0.00 19.45 19.00 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 0.50 -4.63 -1.75 0.00 3.00 -0.53 -4.88 117.38 109.08 1fr0 n GLN 707 Ca 0.13 0.80 -0.40 0.00 -0.01 0.00 0.00 57.00 57.52 1fr0 n GLN 707 Cb 0.42 -5.46 -0.01 0.00 0.00 0.00 0.00 30.24 25.19 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 -2.07 8.16 0.00 1.08 8.00 -0.55 -4.81 116.55 126.36 1fr0 n ASP 708 Ca -0.09 -2.93 0.00 0.00 0.71 0.00 0.00 54.79 52.48 1fr0 n ASP 708 Cb 0.60 -1.44 0.00 0.00 -0.02 0.00 0.00 41.12 40.26 1fr0 n ASP 708 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1fr0 n LYS 709 N 2.52 0.00 -0.36 -1.24 4.01 -1.26 -0.93 118.16 120.91 1fr0 n LYS 709 Ca 0.68 0.82 0.06 0.00 -0.51 0.00 0.00 58.31 59.36 1fr0 n LYS 709 Cb 0.25 -1.39 0.14 0.00 -0.51 0.00 0.00 35.03 33.51 1fr0 n LYS 709 CO 0.00 0.00 0.00 0.87 -1.11 0.00 0.00 177.40 177.16 1fr0 h LYS 710 N 0.00 -0.00 -0.16 1.97 1.79 -2.00 0.30 116.57 118.48 1fr0 h LYS 710 Ca 0.00 0.00 0.04 0.00 -2.18 0.00 0.00 60.65 58.51 1fr0 h LYS 710 Cb 0.00 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 30.61 1fr0 h LYS 710 CO 0.00 -0.00 -0.12 0.78 -1.08 0.00 0.00 179.45 179.03 1fr0 h GLY 711 N -0.00 -0.01 0.72 3.86 0.00 -1.57 -1.54 103.07 104.53 1fr0 h GLY 711 Ca 0.47 0.15 0.01 0.00 0.00 0.00 0.00 47.33 47.97 1fr0 h GLY 711 CO -1.02 -0.13 -0.15 -2.22 0.00 0.00 0.00 176.54 173.02 1fr0 h ILE 712 N -0.13 0.66 -0.28 2.60 2.04 0.14 -1.96 117.51 120.57 1fr0 h ILE 712 Ca 0.10 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.02 1fr0 h ILE 712 Cb 0.28 0.66 -0.07 0.00 -0.74 0.00 0.00 36.82 36.94 1fr0 h ILE 712 CO -0.24 0.00 -0.24 0.58 0.00 0.00 0.00 178.15 178.26 1fr0 h VAL 713 N -0.28 0.39 0.08 1.67 2.07 -0.90 -0.44 116.25 118.84 1fr0 h VAL 713 Ca 0.03 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.55 1fr0 h VAL 713 Cb 0.31 0.39 -0.00 0.00 -1.52 0.00 0.00 31.29 30.46 1fr0 h VAL 713 CO -0.09 0.00 -0.09 -0.08 0.02 0.00 0.00 177.57 177.32 1fr0 h GLU 714 N -0.22 -0.17 -0.78 1.57 4.81 -1.02 0.11 114.58 118.88 1fr0 h GLU 714 Ca 0.15 0.01 0.23 0.00 -0.13 0.00 0.00 59.36 59.62 1fr0 h GLU 714 Cb 0.45 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.84 1fr0 h GLU 714 CO -0.41 -0.11 0.96 0.93 -0.73 0.00 0.00 179.01 179.65 1fr0 h GLU 715 N -0.17 0.00 0.00 1.92 5.08 -1.21 -2.01 114.58 118.19 1fr0 h GLU 715 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1fr0 h GLU 715 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1fr0 h GLU 715 CO -0.02 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.40 1fr0 n GLY 716 N -1.63 -2.80 0.00 -3.84 0.00 0.02 -1.46 105.19 95.48 1fr0 n GLY 716 Ca 0.17 0.06 0.04 0.00 0.00 0.00 0.00 46.02 46.29 1fr0 n GLY 716 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1fr0 n HIS 717 N -1.18 0.00 -0.05 1.61 1.44 -0.90 -1.82 115.22 114.31 1fr0 n HIS 717 Ca 0.00 0.00 -0.01 0.00 -2.01 0.00 0.00 57.72 55.70 1fr0 n HIS 717 Cb 0.00 -0.31 -0.01 0.00 0.12 0.00 0.00 29.99 29.79 1fr0 n HIS 717 CO 0.00 0.00 0.00 0.87 -2.81 0.00 0.00 176.34 174.40 1fr0 h LYS 718 N 0.00 0.00 0.05 -1.40 1.79 -1.13 -2.89 116.57 112.99 1fr0 h LYS 718 Ca 0.00 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1fr0 h LYS 718 Cb 0.09 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.74 1fr0 h LYS 718 CO 0.00 0.08 -0.02 0.82 -1.08 0.00 0.00 179.45 179.25 1fr0 h ILE 719 N -1.00 1.28 -0.19 1.86 2.04 -1.19 -2.71 117.51 117.59 1fr0 h ILE 719 Ca -0.00 -1.61 0.06 0.00 1.00 0.00 0.00 64.86 64.31 1fr0 h ILE 719 Cb 0.10 2.26 -0.01 0.00 -0.74 0.00 0.00 36.82 38.43 1fr0 h ILE 719 CO -0.00 0.37 0.17 0.11 0.00 0.00 0.00 178.15 178.80 1fr0 h LYS 720 N -0.85 0.00 0.04 2.37 6.56 -1.54 0.18 116.57 123.33 1fr0 h LYS 720 Ca -0.01 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.58 1fr0 h LYS 720 Cb 0.66 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.32 1fr0 h LYS 720 CO 0.01 0.00 -0.02 0.78 -2.06 0.00 0.00 179.45 178.16 1fr0 h GLY 721 N 0.00 -0.05 0.94 3.86 0.00 -1.51 -1.60 103.07 104.71 1fr0 h GLY 721 Ca 0.09 0.02 -0.01 0.00 0.00 0.00 0.00 47.33 47.43 1fr0 h GLY 721 CO -0.00 -0.02 0.14 0.00 0.00 0.00 0.00 176.54 176.66 1fr0 h ALA 722 N 0.24 0.35 -0.65 3.60 0.00 -1.02 -2.70 119.26 119.08 1fr0 h ALA 722 Ca -0.01 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.86 1fr0 h ALA 722 Cb 0.60 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 1fr0 h ALA 722 CO 0.01 -0.11 0.39 0.00 0.00 0.00 0.00 179.25 179.54 1fr0 h ALA 723 N 1.00 0.84 -0.61 0.00 0.00 -1.06 -0.56 119.26 118.88 1fr0 h ALA 723 Ca 0.09 -0.01 0.15 0.00 0.00 0.00 0.00 54.91 55.14 1fr0 h ALA 723 Cb 0.09 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1fr0 h ALA 723 CO -0.01 0.13 0.42 0.78 0.00 0.00 0.00 179.25 180.57 1fr0 h GLY 724 N 0.76 0.29 2.00 0.00 0.00 -0.98 0.38 103.07 105.53 1fr0 h GLY 724 Ca 0.26 -0.08 -0.05 0.00 0.00 0.00 0.00 47.33 47.47 1fr0 h GLY 724 CO -0.12 0.03 -0.23 1.76 0.00 0.00 0.00 176.54 177.98 1fr0 h SER 725 N 0.18 0.00 -0.13 0.19 0.02 -0.82 -1.59 113.55 111.41 1fr0 h SER 725 Ca 0.29 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.24 1fr0 h SER 725 Cb 0.91 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.45 1fr0 h SER 725 CO -0.05 0.23 0.00 0.52 -1.14 0.00 0.00 176.83 176.40 1fr0 n VAL 726 N -3.69 0.21 -0.25 2.27 0.31 0.13 -4.78 118.33 112.52 1fr0 n VAL 726 Ca -0.01 -0.18 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 1fr0 n VAL 726 Cb 0.35 0.03 0.00 0.00 -0.91 0.00 0.00 33.84 33.31 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 0.64 0.84 3.47 2.92 0.00 -0.61 -4.96 105.19 107.50 1fr0 n GLY 727 Ca 0.04 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.63 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 5.20 0.13 0.99 4.77 -0.64 -1.68 117.00 125.77 1fr0 n LEU 728 Ca 0.00 -4.38 -0.02 0.00 -0.03 0.00 0.00 56.01 51.58 1fr0 n LEU 728 Cb 0.00 -1.64 0.19 0.00 -2.33 0.00 0.00 43.42 39.64 1fr0 n LEU 728 CO 0.00 0.65 0.53 0.08 -1.33 0.00 0.00 177.39 177.32 1fr0 h ARG 729 N 7.17 0.08 -0.98 3.23 0.11 -1.74 -2.76 114.38 119.49 1fr0 h ARG 729 Ca 0.34 -0.05 0.01 0.00 0.10 0.00 0.00 59.98 60.38 1fr0 h ARG 729 Cb 0.87 0.01 -0.05 0.00 1.11 0.00 0.00 29.97 31.90 1fr0 h ARG 729 CO 1.29 0.62 0.64 1.25 0.10 0.00 0.00 179.97 183.87 1fr0 h HIS 730 N 0.06 1.25 0.27 4.08 2.76 -1.76 -1.95 115.15 119.87 1fr0 h HIS 730 Ca -0.00 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.18 1fr0 h HIS 730 Cb 1.02 -0.42 0.00 0.00 1.55 0.00 0.00 27.41 29.56 1fr0 h HIS 730 CO 0.01 0.80 -0.13 -0.07 -1.30 0.00 0.00 177.93 177.23 1fr0 h LEU 731 N 1.34 -0.31 -1.91 0.26 -0.00 -1.78 -2.30 115.31 110.60 1fr0 h LEU 731 Ca 0.36 -0.13 0.45 0.00 -0.00 0.00 0.00 57.88 58.56 1fr0 h LEU 731 Cb -0.14 0.08 -0.07 0.00 -0.00 0.00 0.00 40.66 40.53 1fr0 h LEU 731 CO -0.08 0.18 1.09 -0.61 -0.00 0.00 0.00 178.44 179.02 1fr0 h GLN 732 N -1.03 0.02 0.02 1.13 -0.00 -1.40 0.35 115.11 114.21 1fr0 h GLN 732 Ca -0.04 -0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.61 1fr0 h GLN 732 Cb 0.42 -0.01 0.00 0.00 0.00 0.00 0.00 27.48 27.90 1fr0 h GLN 732 CO 0.06 0.02 -0.01 1.96 0.00 0.00 0.00 178.83 180.86 1fr0 h GLN 733 N 0.03 -0.03 -0.14 1.69 1.08 -1.29 -1.44 115.11 115.01 1fr0 h GLN 733 Ca 0.75 0.00 0.05 0.00 -1.45 0.00 0.00 58.65 58.00 1fr0 h GLN 733 Cb 2.91 0.01 -0.06 0.00 -0.05 0.00 0.00 27.48 30.28 1fr0 h GLN 733 CO -0.06 0.70 -0.26 -0.07 -0.95 0.00 0.00 178.83 178.18 1fr0 h LEU 734 N -0.82 -0.82 -0.81 1.46 3.38 0.22 -0.64 115.31 117.28 1fr0 h LEU 734 Ca -0.00 0.13 0.01 0.00 0.09 0.00 0.00 57.88 58.11 1fr0 h LEU 734 Cb 0.74 0.36 -0.04 0.00 0.09 0.00 0.00 40.66 41.81 1fr0 h LEU 734 CO 0.00 -0.31 0.53 1.23 0.09 0.00 0.00 178.44 179.99 1fr0 h GLY 735 N -0.33 1.14 -0.71 0.83 0.00 -1.30 -1.23 103.07 101.47 1fr0 h GLY 735 Ca 0.10 -0.42 0.28 0.00 0.00 0.00 0.00 47.33 47.29 1fr0 h GLY 735 CO -0.33 0.40 0.22 -1.61 0.00 0.00 0.00 176.54 175.23 1fr0 h GLN 736 N 1.08 0.11 0.04 4.80 5.75 0.02 0.69 115.11 127.60 1fr0 h GLN 736 Ca 0.30 -0.01 -0.24 0.00 -0.15 0.00 0.00 58.65 58.56 1fr0 h GLN 736 Cb -0.11 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.40 1fr0 h GLN 736 CO -0.07 0.07 -1.14 1.96 -2.65 0.00 0.00 178.83 177.00 1fr0 h GLN 737 N 0.11 0.09 -0.99 1.69 7.50 -0.93 -3.27 115.11 119.31 1fr0 h GLN 737 Ca 0.62 -0.15 0.25 0.00 0.50 0.00 0.00 58.65 59.87 1fr0 h GLN 737 Cb 1.34 0.06 -0.07 0.00 0.05 0.00 0.00 27.48 28.86 1fr0 h GLN 737 CO -0.76 1.04 0.66 0.82 -1.50 0.00 0.00 178.83 179.09 1fr0 h ILE 738 N 0.02 0.57 -0.40 2.54 1.08 0.15 0.79 117.51 122.27 1fr0 h ILE 738 Ca -0.07 -0.11 -0.26 0.00 -0.39 0.00 0.00 64.86 64.02 1fr0 h ILE 738 Cb 1.85 0.22 -0.11 0.00 -3.07 0.00 0.00 36.82 35.72 1fr0 h ILE 738 CO 0.15 0.06 0.30 0.00 -0.69 0.00 0.00 178.15 177.96 1fr0 n GLN 739 N -4.50 1.68 -2.69 2.37 10.64 -0.92 -4.15 117.38 119.81 1fr0 n GLN 739 Ca 0.22 -1.27 -0.07 0.00 -1.83 0.00 0.00 57.00 54.06 1fr0 n GLN 739 Cb 0.85 -1.54 0.05 0.00 -0.86 0.00 0.00 30.24 28.75 1fr0 n GLN 739 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 1fr0 n SER 740 N 0.72 0.91 -2.72 2.61 2.88 0.27 -4.98 113.62 113.31 1fr0 n SER 740 Ca 0.25 -2.55 -0.07 0.00 -1.33 0.00 0.00 58.87 55.17 1fr0 n SER 740 Cb 0.57 -0.27 -0.03 0.00 -0.75 0.00 0.00 64.21 63.73 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 -0.27 0.83 0.00 -1.46 -0.04 -1.26 -2.79 135.00 130.01 1fr0 n PRO 741 Ca 0.06 -0.64 0.00 0.00 -0.04 0.00 0.00 63.50 62.88 1fr0 n PRO 741 Cb 0.82 -1.94 0.00 0.00 -0.04 0.00 0.00 33.50 32.34 1fr0 n PRO 741 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1fr0 n ASP 742 N 3.72 0.79 -4.76 3.54 2.03 -1.26 -5.01 116.55 115.59 1fr0 n ASP 742 Ca 0.18 0.00 -0.41 0.00 0.52 0.00 0.00 54.79 55.08 1fr0 n ASP 742 Cb 0.17 0.14 -0.03 0.00 -0.72 0.00 0.00 41.12 40.68 1fr0 n ASP 742 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1fr0 s LEU 743 N -0.66 4.45 0.36 -2.67 1.02 -1.12 -4.88 118.68 115.19 1fr0 s LEU 743 Ca 0.00 2.57 0.27 0.00 0.02 0.00 0.00 54.13 56.98 1fr0 s LEU 743 Cb 0.00 -3.64 1.23 0.00 0.02 0.00 0.00 46.19 43.80 1fr0 s LEU 743 CO 0.00 -0.44 1.81 1.55 0.02 0.00 0.00 176.35 179.28 1fr0 h PRO 744 N 3.69 0.00 0.00 1.29 0.13 -1.97 -2.26 132.00 132.87 1fr0 h PRO 744 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1fr0 h PRO 744 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1fr0 h PRO 744 CO 0.67 0.00 -1.80 0.00 -0.23 0.00 0.00 178.00 176.64 1fr0 n ALA 745 N -1.86 3.10 -0.04 -0.56 0.00 -1.26 -4.42 120.51 115.48 1fr0 n ALA 745 Ca 0.00 -0.51 -0.13 0.00 0.00 0.00 0.00 53.44 52.80 1fr0 n ALA 745 Cb 0.18 -0.73 -0.08 0.00 0.00 0.00 0.00 19.45 18.83 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 0.22 0.00 0.00 7.01 -1.76 0.30 115.95 121.72 1fr0 h TRP 746 Ca 0.00 -0.06 0.00 0.00 2.11 0.00 0.00 58.89 60.94 1fr0 h TRP 746 Cb 0.88 -0.05 0.00 0.00 -2.10 0.00 0.00 29.16 27.89 1fr0 h TRP 746 CO 0.00 0.57 0.12 0.93 -2.79 0.00 0.00 178.44 177.27 1fr0 h GLU 747 N -0.19 0.00 -0.06 2.65 3.07 -1.76 0.25 114.58 118.53 1fr0 h GLU 747 Ca 0.02 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.88 1fr0 h GLU 747 Cb 0.52 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.43 1fr0 h GLU 747 CO 0.02 0.00 0.00 -3.47 -1.40 0.00 0.00 179.01 174.16 1fr0 n ASP 748 N -2.63 1.86 -0.04 1.42 -0.08 -0.94 -4.56 116.55 111.58 1fr0 n ASP 748 Ca -0.02 -1.47 -0.04 0.00 -1.51 0.00 0.00 54.79 51.75 1fr0 n ASP 748 Cb 0.16 -0.03 -0.07 0.00 2.34 0.00 0.00 41.12 43.52 1fr0 n ASP 748 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 1fr0 n ASN 749 N 0.39 2.80 -0.36 1.67 4.13 0.10 -4.64 115.26 119.34 1fr0 n ASN 749 Ca 0.05 0.00 0.02 0.00 1.68 0.00 0.00 54.58 56.33 1fr0 n ASN 749 Cb 0.23 0.77 0.08 0.00 -1.54 0.00 0.00 39.78 39.32 1fr0 n ASN 749 CO 0.00 0.00 0.00 0.58 0.28 0.00 0.00 177.26 178.12 1fr0 h VAL 750 N 0.00 0.02 -0.79 2.41 2.07 -0.97 0.36 116.25 119.34 1fr0 h VAL 750 Ca -0.23 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.44 1fr0 h VAL 750 Cb 1.48 0.02 -0.15 0.00 -1.52 0.00 0.00 31.29 31.12 1fr0 h VAL 750 CO 0.01 0.00 -0.28 1.23 0.02 0.00 0.00 177.57 178.55 1fr0 h GLY 751 N -0.01 0.28 0.98 2.17 0.00 -1.84 0.13 103.07 104.78 1fr0 h GLY 751 Ca 0.40 0.37 -0.12 0.00 0.00 0.00 0.00 47.33 47.99 1fr0 h GLY 751 CO -0.99 -0.26 -0.25 -2.09 0.00 0.00 0.00 176.54 172.95 1fr0 h GLU 752 N -0.05 0.73 -0.73 4.80 4.57 -0.69 -2.48 114.58 120.74 1fr0 h GLU 752 Ca 0.34 -0.36 0.14 0.00 -1.18 0.00 0.00 59.36 58.30 1fr0 h GLU 752 Cb 0.59 0.00 -0.14 0.00 -0.16 0.00 0.00 28.75 29.04 1fr0 h GLU 752 CO -0.83 0.98 -0.21 2.35 -1.18 0.00 0.00 179.01 180.11 1fr0 h TRP 753 N 0.49 -0.49 -0.07 0.92 2.91 0.12 0.11 115.95 119.93 1fr0 h TRP 753 Ca 0.06 0.07 -0.07 0.00 1.13 0.00 0.00 58.89 60.08 1fr0 h TRP 753 Cb 0.82 0.33 0.00 0.00 -0.51 0.00 0.00 29.16 29.80 1fr0 h TRP 753 CO 0.07 -0.33 -0.23 0.82 -1.03 0.00 0.00 178.44 177.73 1fr0 h ILE 754 N -0.02 1.43 0.26 2.65 1.08 -1.34 -0.44 117.51 121.12 1fr0 h ILE 754 Ca 0.34 -1.62 0.00 0.00 -0.39 0.00 0.00 64.86 63.20 1fr0 h ILE 754 Cb 0.55 2.29 -0.04 0.00 -3.07 0.00 0.00 36.82 36.55 1fr0 h ILE 754 CO -0.76 0.46 -0.51 -0.33 -0.69 0.00 0.00 178.15 176.31 1fr0 h GLU 755 N -0.22 -0.80 -0.62 2.37 5.08 -0.80 0.18 114.58 119.77 1fr0 h GLU 755 Ca -0.01 0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.33 1fr0 h GLU 755 Cb 0.86 0.18 -0.03 0.00 0.50 0.00 0.00 28.75 30.27 1fr0 h GLU 755 CO 0.05 -0.53 0.10 1.49 -1.00 0.00 0.00 179.01 179.11 1fr0 h GLU 756 N -0.83 1.02 0.77 2.33 4.57 -0.94 -2.72 114.58 118.78 1fr0 h GLU 756 Ca -0.03 -0.26 -0.03 0.00 -1.18 0.00 0.00 59.36 57.86 1fr0 h GLU 756 Cb 0.79 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 29.25 1fr0 h GLU 756 CO -0.20 0.94 -0.50 1.98 -1.18 0.00 0.00 179.01 180.05 1fr0 h MET 757 N 0.96 -1.16 -0.10 1.92 4.05 -0.59 -3.09 114.93 116.91 1fr0 h MET 757 Ca 0.19 0.08 0.03 0.00 -0.28 0.00 0.00 59.70 59.72 1fr0 h MET 757 Cb 0.42 0.26 -0.06 0.00 -0.80 0.00 0.00 31.60 31.42 1fr0 h MET 757 CO 0.01 -0.77 -0.49 -0.22 0.23 0.00 0.00 176.91 175.67 1fr0 h LYS 758 N -1.20 -0.55 -3.08 0.39 1.63 -0.65 0.49 116.57 113.60 1fr0 h LYS 758 Ca -0.10 0.04 -0.67 0.00 -0.85 0.00 0.00 60.65 59.06 1fr0 h LYS 758 Cb 0.97 0.12 0.02 0.00 -0.60 0.00 0.00 32.23 32.75 1fr0 h LYS 758 CO 0.09 -0.36 3.80 -1.91 -3.45 0.00 0.00 179.45 177.62 1fr0 n GLU 759 N -5.44 3.64 0.00 1.90 2.13 -1.03 -3.79 120.64 118.05 1fr0 n GLU 759 Ca -0.05 -2.24 0.00 0.00 0.66 0.00 0.00 57.16 55.53 1fr0 n GLU 759 Cb 0.38 -2.84 0.00 0.00 0.27 0.00 0.00 31.44 29.25 1fr0 n GLU 759 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1fr0 n GLU 760 N 3.78 0.00 -0.26 5.31 2.13 -0.93 -4.88 120.64 125.79 1fr0 n GLU 760 Ca 0.77 0.00 0.05 0.00 0.66 0.00 0.00 57.16 58.64 1fr0 n GLU 760 Cb 0.24 0.00 0.16 0.00 0.27 0.00 0.00 31.44 32.12 1fr0 n GLU 760 CO 0.00 0.00 0.00 0.11 -0.41 0.00 0.00 177.13 176.83 1fr0 h TRP 761 N 0.00 -0.01 -0.26 4.31 5.08 -1.01 0.29 115.95 124.34 1fr0 h TRP 761 Ca 0.00 0.05 0.06 0.00 1.08 0.00 0.00 58.89 60.09 1fr0 h TRP 761 Cb 0.00 0.12 -0.08 0.00 -3.00 0.00 0.00 29.16 26.21 1fr0 h TRP 761 CO 0.00 -0.23 -0.31 -0.09 -1.28 0.00 0.00 178.44 176.53 1fr0 h ARG 762 N 0.12 -0.30 -0.83 0.12 2.43 -1.82 -0.01 114.38 114.09 1fr0 h ARG 762 Ca 0.42 0.02 0.20 0.00 -0.81 0.00 0.00 59.98 59.81 1fr0 h ARG 762 Cb 0.74 0.07 -0.15 0.00 -0.42 0.00 0.00 29.97 30.21 1fr0 h ARG 762 CO -0.65 -0.20 0.00 1.25 -1.51 0.00 0.00 179.97 178.86 1fr0 h HIS 763 N -0.31 -0.06 -0.46 2.20 2.76 -1.31 0.36 115.15 118.33 1fr0 h HIS 763 Ca 0.13 0.06 0.08 0.00 -2.20 0.00 0.00 60.37 58.45 1fr0 h HIS 763 Cb 0.53 0.16 -0.07 0.00 1.55 0.00 0.00 27.41 29.58 1fr0 h HIS 763 CO -0.46 -0.30 0.05 -0.44 -1.30 0.00 0.00 177.93 175.48 1fr0 h ASP 764 N 0.08 -0.09 -0.17 3.26 5.19 -0.73 -1.57 116.42 122.38 1fr0 h ASP 764 Ca 0.47 0.10 0.01 0.00 -0.62 0.00 0.00 57.03 56.98 1fr0 h ASP 764 Cb 0.86 0.15 -0.01 0.00 0.18 0.00 0.00 39.33 40.51 1fr0 h ASP 764 CO -0.75 -0.02 0.09 0.58 -3.12 0.00 0.00 179.24 176.03 1fr0 h VAL 765 N 0.17 1.01 0.20 -1.35 2.07 0.04 0.97 116.25 119.36 1fr0 h VAL 765 Ca 0.23 -0.07 -0.00 0.00 0.82 0.00 0.00 66.70 67.68 1fr0 h VAL 765 Cb 0.32 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 1fr0 h VAL 765 CO -0.34 0.04 -0.25 -0.33 0.02 0.00 0.00 177.57 176.70 1fr0 h GLU 766 N 0.20 -0.45 -0.47 1.57 5.08 -0.52 -1.90 114.58 118.09 1fr0 h GLU 766 Ca 0.07 0.03 0.09 0.00 -1.00 0.00 0.00 59.36 58.55 1fr0 h GLU 766 Cb 0.00 0.10 -0.08 0.00 0.50 0.00 0.00 28.75 29.28 1fr0 h GLU 766 CO -0.04 -0.30 0.01 0.28 -1.00 0.00 0.00 179.01 177.96 1fr0 h VAL 767 N -0.47 0.64 -0.80 3.13 2.07 -1.29 -1.96 116.25 117.57 1fr0 h VAL 767 Ca -0.02 -0.04 0.10 0.00 0.82 0.00 0.00 66.70 67.56 1fr0 h VAL 767 Cb 0.42 0.51 -0.12 0.00 -1.52 0.00 0.00 31.29 30.57 1fr0 h VAL 767 CO -0.06 0.02 -0.47 0.25 0.02 0.00 0.00 177.57 177.33 1fr0 h LEU 768 N 0.12 -1.69 -0.53 2.57 5.85 -0.49 0.35 115.31 121.49 1fr0 h LEU 768 Ca 0.24 0.29 0.09 0.00 0.84 0.00 0.00 57.88 59.33 1fr0 h LEU 768 Cb 0.35 0.78 -0.07 0.00 0.37 0.00 0.00 40.66 42.09 1fr0 h LEU 768 CO -0.39 -0.30 0.12 0.50 -0.34 0.00 0.00 178.44 178.03 1fr0 h LYS 769 N -0.11 0.25 -0.37 1.25 3.64 -0.59 -1.51 116.57 119.13 1fr0 h LYS 769 Ca 0.21 -0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.65 1fr0 h LYS 769 Cb 0.53 -0.06 -0.07 0.00 -0.41 0.00 0.00 32.23 32.23 1fr0 h LYS 769 CO -0.83 0.17 -0.06 0.00 -2.27 0.00 0.00 179.45 176.45 1fr0 h ALA 770 N 1.41 0.28 -0.77 5.00 0.00 -0.03 -0.58 119.26 124.57 1fr0 h ALA 770 Ca 0.27 0.13 0.17 0.00 0.00 0.00 0.00 54.91 55.48 1fr0 h ALA 770 Cb 0.37 0.25 -0.11 0.00 0.00 0.00 0.00 17.79 18.30 1fr0 h ALA 770 CO -0.34 -0.44 0.23 2.35 0.00 0.00 0.00 179.25 181.05 1fr0 h TRP 771 N 0.03 0.37 0.00 0.00 7.01 -0.03 0.55 115.95 123.87 1fr0 h TRP 771 Ca 0.18 0.04 -0.07 0.00 2.11 0.00 0.00 58.89 61.15 1fr0 h TRP 771 Cb 0.27 -0.04 -0.01 0.00 -2.10 0.00 0.00 29.16 27.27 1fr0 h TRP 771 CO -0.31 -0.06 -0.32 0.28 -2.79 0.00 0.00 178.44 175.24 1fr0 h VAL 772 N 0.31 0.95 0.00 2.65 2.07 -0.87 1.16 116.25 122.52 1fr0 h VAL 772 Ca 0.44 -1.22 0.00 0.00 0.82 0.00 0.00 66.70 66.74 1fr0 h VAL 772 Cb 0.76 1.72 0.00 0.00 -1.52 0.00 0.00 31.29 32.25 1fr0 h VAL 772 CO -0.50 0.31 0.00 0.00 0.02 0.00 0.00 177.57 177.40 1fr0 n ALA 773 N -2.35 2.07 0.00 1.67 0.00 0.18 -3.72 120.51 118.35 1fr0 n ALA 773 Ca -0.01 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1fr0 n ALA 773 Cb 0.41 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.42 1fr0 n ALA 773 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1fr0 n LYS 774 N -2.26 0.81 0.00 0.00 5.02 -0.56 -4.81 118.16 116.36 1fr0 n LYS 774 Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 1fr0 n LYS 774 Cb 0.36 -0.93 0.00 0.00 -0.02 0.00 0.00 35.03 34.44 1fr0 n LYS 774 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1fr0 n ALA 775 N -1.33 0.00 -2.67 7.82 0.00 0.39 -4.41 120.51 120.31 1fr0 n ALA 775 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 1fr0 n ALA 775 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 1fr0 n ALA 775 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1fr0 s THR 776 N 0.00 4.34 0.00 0.00 -4.23 -1.26 -4.95 115.64 109.54 1fr0 s THR 776 Ca 0.00 -2.01 0.00 0.00 -1.18 0.00 0.00 61.69 58.50 1fr0 s THR 776 Cb 0.00 -5.11 0.00 0.00 1.34 0.00 0.00 72.50 68.73 1fr0 s THR 776 CO 0.00 -1.92 0.00 2.29 -0.54 0.00 0.00 174.62 174.45 1fr0 n LYS 777 N 7.74 2.97 0.00 3.99 2.85 -1.26 -4.95 118.16 129.50 1fr0 n LYS 777 Ca 0.44 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.70 1fr0 n LYS 777 Cb 0.46 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.84 1fr0 n LYS 777 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98