#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 1.12 -2.71 4.28 5.66 -1.26 -4.88 114.28 116.50 1fr0 n THR 655 Ca 0.00 -4.83 -0.07 0.00 -3.05 0.00 0.00 64.05 56.10 1fr0 n THR 655 Cb 0.00 -1.52 0.10 0.00 -1.55 0.00 0.00 70.33 67.36 1fr0 n THR 655 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 1fr0 n GLU 656 N 0.65 1.03 -4.02 1.09 2.13 -1.26 -5.14 120.64 115.11 1fr0 n GLU 656 Ca 0.27 -1.76 -0.08 0.00 0.66 0.00 0.00 57.16 56.25 1fr0 n GLU 656 Cb 0.49 -0.44 -0.09 0.00 0.27 0.00 0.00 31.44 31.66 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 0.21 0.64 0.29 5.31 2.12 -1.26 -5.03 118.70 120.98 1fr0 s GLU 657 Ca 0.21 -1.09 0.03 0.00 0.36 0.00 0.00 54.97 54.48 1fr0 s GLU 657 Cb 0.33 0.23 0.74 0.00 0.26 0.00 0.00 34.13 35.69 1fr0 s GLU 657 CO -0.07 -0.14 1.66 -2.95 -0.54 0.00 0.00 175.26 173.22 1fr0 h ASN 658 N 3.20 0.12 -5.34 -1.70 -1.07 -2.02 -3.46 115.58 105.31 1fr0 h ASN 658 Ca -0.34 0.18 0.00 0.00 0.07 0.00 0.00 56.30 56.22 1fr0 h ASN 658 Cb 1.16 0.22 -0.02 0.00 -2.07 0.00 0.00 38.32 37.61 1fr0 h ASN 658 CO 0.61 -0.11 -1.05 -1.20 0.07 0.00 0.00 177.43 175.75 1fr0 n SER 659 N -5.17 -6.87 -2.71 6.14 7.64 -1.26 -3.90 113.62 107.50 1fr0 n SER 659 Ca 0.22 1.27 -0.16 0.00 1.01 0.00 0.00 58.87 61.20 1fr0 n SER 659 Cb 0.69 -4.68 -0.06 0.00 -1.01 0.00 0.00 64.21 59.15 1fr0 n SER 659 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1fr0 n LYS 660 N 0.97 1.82 0.00 1.43 5.02 -1.26 -2.42 118.16 123.72 1fr0 n LYS 660 Ca -0.05 -1.12 0.00 0.00 -2.02 0.00 0.00 58.31 55.12 1fr0 n LYS 660 Cb 0.16 -2.17 0.00 0.00 -0.02 0.00 0.00 35.03 33.00 1fr0 n LYS 660 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1fr0 n SER 661 N 3.42 0.00 -0.00 4.39 3.41 -1.26 -4.96 113.62 118.61 1fr0 n SER 661 Ca 0.39 0.00 0.08 0.00 -0.26 0.00 0.00 58.87 59.08 1fr0 n SER 661 Cb 0.36 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.20 1fr0 n SER 661 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1fr0 n GLU 662 N 0.00 1.18 0.16 4.33 1.02 -1.15 -4.38 120.64 121.80 1fr0 n GLU 662 Ca 0.00 -0.06 0.04 0.00 -0.02 0.00 0.00 57.16 57.11 1fr0 n GLU 662 Cb 0.00 -1.32 0.22 0.00 -0.02 0.00 0.00 31.44 30.32 1fr0 n GLU 662 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1fr0 h ALA 663 N 1.97 0.87 0.00 0.62 0.00 -1.59 -3.10 119.26 118.03 1fr0 h ALA 663 Ca 0.00 -0.42 -0.03 0.00 0.00 0.00 0.00 54.91 54.46 1fr0 h ALA 663 Cb 0.54 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1fr0 h ALA 663 CO 0.00 0.58 -0.38 -0.07 0.00 0.00 0.00 179.25 179.39 1fr0 h LEU 664 N 0.00 0.00 -7.90 0.00 3.38 -1.82 -3.31 115.31 105.66 1fr0 h LEU 664 Ca -0.00 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.84 1fr0 h LEU 664 Cb 1.09 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.67 1fr0 h LEU 664 CO 0.06 0.11 -0.52 -1.48 0.09 0.00 0.00 178.44 176.70 1fr0 s LEU 665 N -6.05 1.80 -0.37 1.67 2.34 -1.17 -3.10 118.68 113.80 1fr0 s LEU 665 Ca 0.04 -0.54 -0.27 0.00 0.06 0.00 0.00 54.13 53.41 1fr0 s LEU 665 Cb 0.07 0.61 0.02 0.00 -0.56 0.00 0.00 46.19 46.33 1fr0 s LEU 665 CO 0.72 -0.52 1.01 -0.62 -1.06 0.00 0.00 176.35 175.88 1fr0 s ASP 666 N -2.17 6.75 0.06 1.48 -1.08 -0.89 -4.64 116.67 116.18 1fr0 s ASP 666 Ca -0.04 0.71 -0.16 0.00 -0.52 0.00 0.00 52.55 52.53 1fr0 s ASP 666 Cb -0.01 -2.51 -0.18 0.00 -1.46 0.00 0.00 42.92 38.76 1fr0 s ASP 666 CO -0.05 -0.94 1.23 0.40 0.52 0.00 0.00 175.17 176.33 1fr0 h ILE 667 N 5.87 1.34 -0.02 4.11 5.03 -1.93 -2.36 117.51 129.56 1fr0 h ILE 667 Ca -0.22 -1.93 -0.05 0.00 -0.12 0.00 0.00 64.86 62.54 1fr0 h ILE 667 Cb 1.07 2.19 0.00 0.00 -3.03 0.00 0.00 36.82 37.05 1fr0 h ILE 667 CO 1.03 0.59 -0.18 1.55 -0.68 0.00 0.00 178.15 180.46 1fr0 h PRO 668 N 0.24 0.15 -0.55 2.37 0.13 -1.98 -2.17 132.00 130.20 1fr0 h PRO 668 Ca -0.05 -0.14 0.02 0.00 -0.87 0.00 0.00 66.00 64.95 1fr0 h PRO 668 Cb 1.29 0.03 -0.03 0.00 0.13 0.00 0.00 31.00 32.42 1fr0 h PRO 668 CO 0.13 0.84 0.35 1.98 -0.23 0.00 0.00 178.00 181.07 1fr0 h MET 669 N -0.49 0.68 -0.78 0.86 4.05 -1.98 -0.84 114.93 116.44 1fr0 h MET 669 Ca -0.02 -0.04 -0.02 0.00 -0.28 0.00 0.00 59.70 59.34 1fr0 h MET 669 Cb 0.89 -0.15 -0.04 0.00 -0.80 0.00 0.00 31.60 31.50 1fr0 h MET 669 CO 0.04 0.45 0.40 -0.07 0.23 0.00 0.00 176.91 177.96 1fr0 h LEU 670 N 0.70 0.99 -1.31 3.39 3.38 -1.49 -1.87 115.31 119.09 1fr0 h LEU 670 Ca 0.21 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1fr0 h LEU 670 Cb -0.02 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 1fr0 h LEU 670 CO -0.07 0.82 0.28 -0.08 0.09 0.00 0.00 178.44 179.47 1fr0 h GLU 671 N 1.08 0.75 0.14 1.13 4.57 -0.69 -2.19 114.58 119.37 1fr0 h GLU 671 Ca 0.27 -0.08 -0.01 0.00 -1.18 0.00 0.00 59.36 58.36 1fr0 h GLU 671 Cb 0.07 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 28.51 1fr0 h GLU 671 CO -0.04 0.57 -0.06 0.37 -1.18 0.00 0.00 179.01 178.66 1fr0 h GLN 672 N 0.75 -0.18 0.00 1.92 4.15 -0.36 -1.16 115.11 120.24 1fr0 h GLN 672 Ca 0.19 0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.62 1fr0 h GLN 672 Cb 0.05 0.04 -0.00 0.00 0.21 0.00 0.00 27.48 27.78 1fr0 h GLN 672 CO -0.03 -0.06 -0.01 1.88 -1.93 0.00 0.00 178.83 178.69 1fr0 h TYR 673 N -0.25 0.00 0.00 3.99 0.05 -1.11 -1.17 116.97 118.47 1fr0 h TYR 673 Ca -0.02 0.00 -0.19 0.00 0.05 0.00 0.00 58.73 58.58 1fr0 h TYR 673 Cb 0.20 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 37.91 1fr0 h TYR 673 CO -0.05 0.01 -0.89 -0.07 -1.05 0.00 0.00 178.16 176.11 1fr0 h LEU 674 N 0.00 0.00 -0.06 3.88 -0.00 -0.72 0.23 115.31 118.64 1fr0 h LEU 674 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1fr0 h LEU 674 Cb 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.68 1fr0 h LEU 674 CO 0.00 0.88 0.00 -0.62 -0.00 0.00 0.00 178.44 178.70 1fr0 n GLU 675 N -3.31 1.04 0.00 1.13 -0.58 -0.45 -4.03 120.64 114.43 1fr0 n GLU 675 Ca 0.00 -0.06 0.00 0.00 -0.42 0.00 0.00 57.16 56.68 1fr0 n GLU 675 Cb 0.89 -1.05 0.00 0.00 -0.57 0.00 0.00 31.44 30.71 1fr0 n GLU 675 CO 0.00 0.00 0.00 1.47 -0.48 0.00 0.00 177.13 178.12 1fr0 n LEU 676 N -0.49 0.00 0.00 -4.62 -0.00 -1.20 -5.07 117.00 105.62 1fr0 n LEU 676 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.04 1fr0 n LEU 676 Cb 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.44 1fr0 n LEU 676 CO 0.02 0.00 0.00 0.52 -0.00 0.00 0.00 177.39 177.93 1fr0 n VAL 677 N -1.22 0.00 0.00 1.47 0.31 0.49 -5.12 118.33 114.27 1fr0 n VAL 677 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1fr0 n VAL 677 Cb 0.00 -0.22 0.00 0.00 -0.91 0.00 0.00 33.84 32.71 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 2.59 0.12 0.00 2.92 0.00 0.50 -4.63 105.19 106.69 1fr0 n GLY 678 Ca 0.00 -1.80 0.10 0.00 0.00 0.00 0.00 46.02 44.32 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 0.59 0.00 1.61 -0.04 -1.26 -3.50 135.00 132.40 1fr0 n PRO 679 Ca 0.00 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 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 1.17 -0.04 0.00 0.00 175.50 176.63 1fr0 n LYS 680 N -1.02 0.00 0.10 0.54 4.81 -1.26 -0.45 118.16 120.88 1fr0 n LYS 680 Ca 0.14 0.50 0.13 0.00 -0.87 0.00 0.00 58.31 58.21 1fr0 n LYS 680 Cb 0.08 -1.48 0.39 0.00 0.02 0.00 0.00 35.03 34.03 1fr0 n LYS 680 CO 0.00 0.00 0.00 1.47 1.17 0.00 0.00 177.40 180.04 1fr0 n LEU 681 N -1.97 0.82 -0.06 3.14 -0.00 -1.26 -2.76 117.00 114.90 1fr0 n LEU 681 Ca 0.00 0.56 -0.08 0.00 -0.00 0.00 0.00 56.01 56.49 1fr0 n LEU 681 Cb 0.00 -0.31 -0.06 0.00 -0.00 0.00 0.00 43.42 43.05 1fr0 n LEU 681 CO 0.00 -0.18 0.03 0.40 -0.00 0.00 0.00 177.39 177.65 1fr0 h ILE 682 N 0.00 0.70 -0.39 1.47 2.04 -1.59 -1.11 117.51 118.63 1fr0 h ILE 682 Ca 0.00 -1.58 -0.06 0.00 1.00 0.00 0.00 64.86 64.22 1fr0 h ILE 682 Cb 0.74 1.37 -0.02 0.00 -0.74 0.00 0.00 36.82 38.17 1fr0 h ILE 682 CO 0.00 0.24 -0.01 0.74 0.00 0.00 0.00 178.15 179.11 1fr0 h THR 683 N -1.00 1.22 0.04 -0.27 2.02 -0.89 0.14 112.91 114.17 1fr0 h THR 683 Ca -0.04 -0.90 -0.00 0.00 0.77 0.00 0.00 66.41 66.25 1fr0 h THR 683 Cb 0.54 0.94 0.00 0.00 -1.74 0.00 0.00 68.15 67.89 1fr0 h THR 683 CO -0.02 0.31 -0.02 -0.78 0.37 0.00 0.00 175.52 175.38 1fr0 h ASP 684 N 0.59 -0.04 -0.60 4.18 1.82 -1.59 -2.33 116.42 118.45 1fr0 h ASP 684 Ca 0.12 -0.29 0.07 0.00 -0.39 0.00 0.00 57.03 56.54 1fr0 h ASP 684 Cb 0.39 0.01 -0.04 0.00 0.68 0.00 0.00 39.33 40.38 1fr0 h ASP 684 CO 0.02 0.59 0.40 1.23 -1.61 0.00 0.00 179.24 179.86 1fr0 h GLY 685 N -1.00 0.68 1.12 -0.78 0.00 -1.23 -1.40 103.07 100.46 1fr0 h GLY 685 Ca -0.01 -0.21 -0.17 0.00 0.00 0.00 0.00 47.33 46.94 1fr0 h GLY 685 CO 0.01 0.15 -0.47 -2.00 0.00 0.00 0.00 176.54 174.23 1fr0 h LEU 686 N 0.53 0.97 0.48 3.11 5.85 -0.81 -1.89 115.31 123.54 1fr0 h LEU 686 Ca 0.26 -0.51 -0.01 0.00 0.84 0.00 0.00 57.88 58.46 1fr0 h LEU 686 Cb 0.36 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 1fr0 h LEU 686 CO -0.08 1.29 -0.37 0.00 -0.34 0.00 0.00 178.44 178.94 1fr0 h ALA 687 N 0.71 -0.87 -0.63 1.25 0.00 -0.68 0.82 119.26 119.86 1fr0 h ALA 687 Ca 0.03 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.80 1fr0 h ALA 687 Cb 1.08 0.51 -0.03 0.00 0.00 0.00 0.00 17.79 19.34 1fr0 h ALA 687 CO 0.11 -1.02 0.41 -0.24 0.00 0.00 0.00 179.25 178.51 1fr0 h VAL 688 N -0.84 1.15 -0.99 0.00 3.04 -1.52 -2.23 116.25 114.86 1fr0 h VAL 688 Ca -0.05 -0.29 0.04 0.00 -1.01 0.00 0.00 66.70 65.39 1fr0 h VAL 688 Cb 0.72 0.24 -0.06 0.00 -2.01 0.00 0.00 31.29 30.18 1fr0 h VAL 688 CO -0.00 0.15 0.65 0.15 -1.01 0.00 0.00 177.57 177.51 1fr0 h PHE 689 N 0.84 1.22 -0.56 3.17 3.57 -1.05 -1.75 116.94 122.37 1fr0 h PHE 689 Ca 0.23 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.72 1fr0 h PHE 689 Cb -0.08 -0.41 -0.03 0.00 2.79 0.00 0.00 35.95 38.23 1fr0 h PHE 689 CO -0.03 0.71 0.17 0.93 -2.23 0.00 0.00 178.31 177.85 1fr0 h GLU 690 N 1.26 0.85 -0.48 1.11 5.08 -0.26 0.32 114.58 122.46 1fr0 h GLU 690 Ca 0.39 -0.16 -0.07 0.00 -1.00 0.00 0.00 59.36 58.52 1fr0 h GLU 690 Cb -0.01 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 1fr0 h GLU 690 CO -0.12 0.74 -0.00 -0.22 -1.00 0.00 0.00 179.01 178.40 1fr0 h LYS 691 N 0.82 0.80 -0.57 2.33 1.63 -0.90 -2.67 116.57 118.01 1fr0 h LYS 691 Ca 0.19 -0.21 0.00 0.00 -0.85 0.00 0.00 60.65 59.77 1fr0 h LYS 691 Cb 0.25 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 31.78 1fr0 h LYS 691 CO -0.01 0.80 0.00 -0.12 -3.45 0.00 0.00 179.45 176.67 1fr0 n MET 692 N -4.21 2.63 0.06 1.90 1.56 -0.97 -4.47 117.12 113.61 1fr0 n MET 692 Ca 0.02 -2.50 -0.13 0.00 -0.27 0.00 0.00 57.70 54.83 1fr0 n MET 692 Cb 0.30 -1.55 -0.09 0.00 2.15 0.00 0.00 33.22 34.04 1fr0 n MET 692 CO 0.00 0.00 0.00 1.98 -0.73 0.00 0.00 175.97 177.22 1fr0 h MET 693 N 4.45 -0.16 0.00 2.12 4.05 -0.01 -0.14 114.93 125.24 1fr0 h MET 693 Ca 0.00 0.01 -0.07 0.00 -0.28 0.00 0.00 59.70 59.36 1fr0 h MET 693 Cb 1.00 0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.82 1fr0 h MET 693 CO 0.00 0.17 -0.33 -1.00 0.23 0.00 0.00 176.91 175.98 1fr0 h PRO 694 N -0.51 0.00 -0.06 0.39 0.13 -1.78 -2.38 132.00 127.79 1fr0 h PRO 694 Ca -0.02 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.87 1fr0 h PRO 694 Cb 0.41 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.55 1fr0 h PRO 694 CO 0.03 0.33 -0.92 0.78 -0.23 0.00 0.00 178.00 177.98 1fr0 h GLY 695 N 1.46 0.82 0.89 1.56 0.00 -1.77 -1.13 103.07 104.91 1fr0 h GLY 695 Ca -0.00 -1.32 -0.03 0.00 0.00 0.00 0.00 47.33 45.98 1fr0 h GLY 695 CO 0.04 1.17 -0.28 -0.97 0.00 0.00 0.00 176.54 176.49 1fr0 h TYR 696 N 0.45 -0.74 0.27 5.60 0.05 -0.78 -1.50 116.97 120.32 1fr0 h TYR 696 Ca -0.10 -0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.66 1fr0 h TYR 696 Cb 1.57 0.24 -0.00 0.00 1.01 0.00 0.00 36.73 39.55 1fr0 h TYR 696 CO 0.10 -0.42 -0.17 0.28 -1.05 0.00 0.00 178.16 176.90 1fr0 h VAL 697 N -0.91 0.64 -0.51 -2.88 2.07 -1.52 -1.43 116.25 111.71 1fr0 h VAL 697 Ca -0.08 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.49 1fr0 h VAL 697 Cb 0.65 0.64 -0.08 0.00 -1.52 0.00 0.00 31.29 30.98 1fr0 h VAL 697 CO 0.13 0.00 -0.48 0.28 0.02 0.00 0.00 177.57 177.52 1fr0 h SER 698 N -0.43 -1.66 -1.01 0.57 0.02 -1.19 1.12 113.55 110.98 1fr0 h SER 698 Ca -0.03 0.23 0.25 0.00 -0.84 0.00 0.00 61.79 61.40 1fr0 h SER 698 Cb 0.36 0.70 -0.09 0.00 0.14 0.00 0.00 62.40 63.51 1fr0 h SER 698 CO 0.03 -0.29 0.65 0.58 -1.14 0.00 0.00 176.83 176.66 1fr0 h VAL 699 N -0.22 0.57 0.31 2.27 2.07 -1.11 0.12 116.25 120.26 1fr0 h VAL 699 Ca 0.09 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.46 1fr0 h VAL 699 Cb 0.45 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.30 1fr0 h VAL 699 CO -0.60 0.08 -0.31 0.25 0.02 0.00 0.00 177.57 177.01 1fr0 h LEU 700 N 0.43 -0.85 -1.51 2.57 5.85 0.24 -0.87 115.31 121.17 1fr0 h LEU 700 Ca 0.57 0.08 0.18 0.00 0.84 0.00 0.00 57.88 59.54 1fr0 h LEU 700 Cb 1.38 0.29 -0.06 0.00 0.37 0.00 0.00 40.66 42.64 1fr0 h LEU 700 CO -0.28 -0.44 0.56 -0.08 -0.34 0.00 0.00 178.44 177.86 1fr0 h GLU 701 N -0.65 0.43 -0.45 1.25 4.81 0.38 0.18 114.58 120.53 1fr0 h GLU 701 Ca -0.01 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1fr0 h GLU 701 Cb 0.60 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.86 1fr0 h GLU 701 CO -0.06 0.28 0.27 0.77 -0.73 0.00 0.00 179.01 179.53 1fr0 h SER 702 N 0.44 0.54 0.88 1.04 0.02 -0.57 -2.21 113.55 113.70 1fr0 h SER 702 Ca 0.43 -0.06 -0.13 0.00 -0.84 0.00 0.00 61.79 61.19 1fr0 h SER 702 Cb 1.00 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 63.38 1fr0 h SER 702 CO -0.16 0.45 -0.60 0.78 -1.14 0.00 0.00 176.83 176.15 1fr0 h ASN 703 N 0.59 0.00 -0.84 3.07 2.35 -0.16 -3.15 115.58 117.45 1fr0 h ASN 703 Ca 0.16 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.91 1fr0 h ASN 703 Cb 0.01 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.34 1fr0 h ASN 703 CO -0.03 0.60 0.52 -0.07 -1.65 0.00 0.00 177.43 176.81 1fr0 h LEU 704 N 0.00 0.99 -1.38 1.61 3.38 -0.16 -1.35 115.31 118.40 1fr0 h LEU 704 Ca -0.01 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 1fr0 h LEU 704 Cb 1.21 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.69 1fr0 h LEU 704 CO 0.08 0.75 0.03 0.71 0.09 0.00 0.00 178.44 180.10 1fr0 h THR 705 N 1.15 1.16 -0.00 0.22 1.35 -1.38 -0.31 112.91 115.09 1fr0 h THR 705 Ca 0.30 -0.62 0.00 0.00 -0.55 0.00 0.00 66.41 65.54 1fr0 h THR 705 Cb -0.08 0.91 0.00 0.00 -1.73 0.00 0.00 68.15 67.26 1fr0 h THR 705 CO -0.06 0.22 -0.01 0.00 -0.25 0.00 0.00 175.52 175.42 1fr0 n ALA 706 N -2.48 2.66 -3.56 6.62 0.00 -0.59 -4.91 120.51 118.25 1fr0 n ALA 706 Ca 0.01 -0.25 -0.21 0.00 0.00 0.00 0.00 53.44 52.99 1fr0 n ALA 706 Cb 0.20 -1.43 0.08 0.00 0.00 0.00 0.00 19.45 18.29 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 -0.79 -6.95 -2.81 0.00 1.13 -0.13 -4.89 117.38 102.94 1fr0 n GLN 707 Ca 0.22 0.80 -0.44 0.00 -1.94 0.00 0.00 57.00 55.64 1fr0 n GLN 707 Cb 0.18 -5.78 -0.00 0.00 0.11 0.00 0.00 30.24 24.74 1fr0 n GLN 707 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1fr0 s ASP 708 N -3.85 6.95 0.56 1.08 -1.08 -1.01 -4.81 116.67 114.52 1fr0 s ASP 708 Ca 0.30 -2.71 0.30 0.00 -0.52 0.00 0.00 52.55 49.92 1fr0 s ASP 708 Cb -0.13 -2.47 1.46 0.00 -1.46 0.00 0.00 42.92 40.32 1fr0 s ASP 708 CO 0.75 -0.93 1.89 0.50 0.52 0.00 0.00 175.17 177.89 1fr0 h LYS 709 N 7.48 0.00 0.00 4.34 3.64 -1.90 0.62 116.57 130.76 1fr0 h LYS 709 Ca 0.35 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.73 1fr0 h LYS 709 Cb 0.89 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.71 1fr0 h LYS 709 CO 1.32 0.00 -0.00 0.87 -2.27 0.00 0.00 179.45 179.37 1fr0 h LYS 710 N 0.00 0.00 -0.74 1.90 1.79 -1.99 -2.50 116.57 115.03 1fr0 h LYS 710 Ca 0.33 0.00 0.21 0.00 -2.18 0.00 0.00 60.65 59.02 1fr0 h LYS 710 Cb 1.48 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 32.10 1fr0 h LYS 710 CO -0.00 0.00 0.58 0.78 -1.08 0.00 0.00 179.45 179.73 1fr0 h GLY 711 N -0.32 0.00 0.24 3.86 0.00 -1.93 -1.11 103.07 103.82 1fr0 h GLY 711 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1fr0 h GLY 711 CO 0.00 0.00 -0.08 -2.22 0.00 0.00 0.00 176.54 174.24 1fr0 h ILE 712 N 0.00 0.51 -0.82 2.60 2.04 -0.99 -2.43 117.51 118.42 1fr0 h ILE 712 Ca 0.35 -1.09 0.10 0.00 1.00 0.00 0.00 64.86 65.22 1fr0 h ILE 712 Cb 1.51 0.90 -0.06 0.00 -0.74 0.00 0.00 36.82 38.44 1fr0 h ILE 712 CO -0.00 0.15 0.54 0.58 0.00 0.00 0.00 178.15 179.41 1fr0 h VAL 713 N -0.98 0.94 0.48 1.67 2.07 -0.92 0.62 116.25 120.14 1fr0 h VAL 713 Ca -0.02 -0.26 -0.02 0.00 0.82 0.00 0.00 66.70 67.21 1fr0 h VAL 713 Cb 0.41 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.31 1fr0 h VAL 713 CO 0.04 0.14 -0.23 -0.33 0.02 0.00 0.00 177.57 177.20 1fr0 h GLU 714 N 0.76 -0.63 0.00 1.57 5.08 -1.31 -2.96 114.58 117.09 1fr0 h GLU 714 Ca 0.38 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.79 1fr0 h GLU 714 Cb 0.47 0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.86 1fr0 h GLU 714 CO -0.15 -0.42 0.00 0.39 -1.00 0.00 0.00 179.01 177.83 1fr0 n GLU 715 N -5.03 0.10 0.05 2.33 -0.58 -0.92 -0.96 120.64 115.63 1fr0 n GLU 715 Ca -0.08 0.56 -0.02 0.00 -0.42 0.00 0.00 57.16 57.20 1fr0 n GLU 715 Cb 0.26 -1.79 -0.01 0.00 -0.57 0.00 0.00 31.44 29.33 1fr0 n GLU 715 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 1fr0 h GLY 716 N 0.31 -0.14 1.72 0.62 0.00 -0.72 -2.35 103.07 102.51 1fr0 h GLY 716 Ca 0.00 0.05 -0.12 0.00 0.00 0.00 0.00 47.33 47.26 1fr0 h GLY 716 CO 0.00 -0.05 -0.45 1.12 0.00 0.00 0.00 176.54 177.15 1fr0 h HIS 717 N -0.29 0.37 -0.26 5.60 2.07 -1.41 -0.67 115.15 120.56 1fr0 h HIS 717 Ca -0.01 -0.11 0.01 0.00 -2.85 0.00 0.00 60.37 57.41 1fr0 h HIS 717 Cb 0.11 -0.08 -0.02 0.00 2.57 0.00 0.00 27.41 29.99 1fr0 h HIS 717 CO 0.07 0.71 0.14 -0.22 -3.07 0.00 0.00 177.93 175.56 1fr0 h LYS 718 N 0.25 0.29 0.05 5.12 3.64 -1.18 1.80 116.57 126.55 1fr0 h LYS 718 Ca 0.02 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1fr0 h LYS 718 Cb 0.90 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.66 1fr0 h LYS 718 CO 0.07 0.19 -0.03 0.82 -2.27 0.00 0.00 179.45 178.24 1fr0 h ILE 719 N 0.30 1.28 0.00 2.00 2.04 -1.34 -2.75 117.51 119.04 1fr0 h ILE 719 Ca 0.10 -1.49 -0.03 0.00 1.00 0.00 0.00 64.86 64.44 1fr0 h ILE 719 Cb 0.01 2.21 -0.00 0.00 -0.74 0.00 0.00 36.82 38.29 1fr0 h ILE 719 CO -0.06 0.35 -0.16 0.11 0.00 0.00 0.00 178.15 178.40 1fr0 h LYS 720 N -0.78 0.00 -0.11 2.37 6.56 -1.08 -2.49 116.57 121.04 1fr0 h LYS 720 Ca -0.01 0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 59.56 1fr0 h LYS 720 Cb 0.63 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.29 1fr0 h LYS 720 CO 0.01 0.16 -0.00 0.78 -2.06 0.00 0.00 179.45 178.34 1fr0 h GLY 721 N 0.50 0.21 1.69 3.86 0.00 0.28 0.99 103.07 110.61 1fr0 h GLY 721 Ca -0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 47.33 47.15 1fr0 h GLY 721 CO 0.02 0.15 0.09 0.00 0.00 0.00 0.00 176.54 176.80 1fr0 h ALA 722 N 0.74 1.63 0.01 3.60 0.00 -1.16 -2.91 119.26 121.16 1fr0 h ALA 722 Ca 0.03 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 1fr0 h ALA 722 Cb 0.37 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.04 1fr0 h ALA 722 CO 0.01 0.29 -0.26 0.00 0.00 0.00 0.00 179.25 179.29 1fr0 h ALA 723 N 1.71 0.02 -0.66 0.00 0.00 -1.23 -3.18 119.26 115.91 1fr0 h ALA 723 Ca 0.10 -0.49 0.19 0.00 0.00 0.00 0.00 54.91 54.71 1fr0 h ALA 723 Cb 0.12 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1fr0 h ALA 723 CO -0.01 0.09 0.67 0.78 0.00 0.00 0.00 179.25 180.79 1fr0 h GLY 724 N -0.57 0.00 1.91 0.00 0.00 -0.62 0.71 103.07 104.50 1fr0 h GLY 724 Ca -0.04 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.15 1fr0 h GLY 724 CO 0.05 0.00 -0.65 1.76 0.00 0.00 0.00 176.54 177.70 1fr0 h SER 725 N 0.00 0.11 0.00 0.19 0.02 -1.50 -2.58 113.55 109.79 1fr0 h SER 725 Ca 0.31 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.20 1fr0 h SER 725 Cb 1.65 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 64.16 1fr0 h SER 725 CO -0.00 0.73 0.00 0.52 -1.14 0.00 0.00 176.83 176.93 1fr0 n VAL 726 N -3.80 0.00 0.00 2.27 0.31 0.24 -4.78 118.33 112.57 1fr0 n VAL 726 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 1fr0 n VAL 726 Cb 0.64 -0.34 0.00 0.00 -0.91 0.00 0.00 33.84 33.23 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 0.82 1.07 3.21 2.92 0.00 -0.98 -4.94 105.19 107.30 1fr0 n GLY 727 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 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 5.84 -0.03 0.99 4.77 0.15 -2.09 117.00 126.63 1fr0 n LEU 728 Ca 0.00 -4.56 -0.10 0.00 -0.03 0.00 0.00 56.01 51.32 1fr0 n LEU 728 Cb 0.00 -1.55 0.05 0.00 -2.33 0.00 0.00 43.42 39.58 1fr0 n LEU 728 CO 0.00 1.02 0.52 0.08 -1.33 0.00 0.00 177.39 177.68 1fr0 h ARG 729 N 6.52 0.65 -0.66 3.23 0.11 -1.66 -2.10 114.38 120.47 1fr0 h ARG 729 Ca 0.35 -0.38 0.13 0.00 0.10 0.00 0.00 59.98 60.18 1fr0 h ARG 729 Cb 0.77 0.03 -0.09 0.00 1.11 0.00 0.00 29.97 31.78 1fr0 h ARG 729 CO 1.40 0.99 0.17 1.25 0.10 0.00 0.00 179.97 183.88 1fr0 h HIS 730 N 0.52 0.27 -0.07 4.08 2.76 -1.64 -0.27 115.15 120.80 1fr0 h HIS 730 Ca 0.03 0.04 -0.21 0.00 -2.20 0.00 0.00 60.37 58.02 1fr0 h HIS 730 Cb 1.03 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 29.98 1fr0 h HIS 730 CO 0.05 -0.03 -0.83 -0.07 -1.30 0.00 0.00 177.93 175.75 1fr0 h LEU 731 N 0.29 0.66 -0.86 0.26 -0.00 -1.79 -2.56 115.31 111.31 1fr0 h LEU 731 Ca 0.36 -0.47 0.11 0.00 -0.00 0.00 0.00 57.88 57.88 1fr0 h LEU 731 Cb 0.55 -0.20 -0.08 0.00 -0.00 0.00 0.00 40.66 40.94 1fr0 h LEU 731 CO -0.43 1.24 0.50 -0.61 -0.00 0.00 0.00 178.44 179.14 1fr0 h GLN 732 N 0.35 0.78 0.05 1.13 -0.00 -0.39 -1.74 115.11 115.28 1fr0 h GLN 732 Ca -0.06 -0.05 -0.00 0.00 -0.00 0.00 0.00 58.65 58.54 1fr0 h GLN 732 Cb 1.44 -0.18 0.00 0.00 0.00 0.00 0.00 27.48 28.75 1fr0 h GLN 732 CO 0.15 0.51 -0.02 1.96 0.00 0.00 0.00 178.83 181.43 1fr0 h GLN 733 N 0.80 -0.07 -1.15 1.69 4.20 -1.15 -2.71 115.11 116.73 1fr0 h GLN 733 Ca 0.43 0.00 0.36 0.00 0.06 0.00 0.00 58.65 59.51 1fr0 h GLN 733 Cb 0.44 0.01 -0.13 0.00 0.30 0.00 0.00 27.48 28.10 1fr0 h GLN 733 CO -0.27 0.53 0.71 -0.07 -0.67 0.00 0.00 178.83 179.06 1fr0 h LEU 734 N -0.75 0.37 0.18 1.46 4.07 -1.09 0.11 115.31 119.67 1fr0 h LEU 734 Ca -0.01 0.15 -0.01 0.00 0.08 0.00 0.00 57.88 58.09 1fr0 h LEU 734 Cb 0.63 0.11 0.00 0.00 1.08 0.00 0.00 40.66 42.48 1fr0 h LEU 734 CO 0.01 -0.12 -0.09 1.23 -1.08 0.00 0.00 178.44 178.39 1fr0 h GLY 735 N 0.22 -0.25 -0.74 0.83 0.00 -1.30 -2.05 103.07 99.78 1fr0 h GLY 735 Ca 0.75 0.09 0.33 0.00 0.00 0.00 0.00 47.33 48.50 1fr0 h GLY 735 CO -0.46 -0.09 1.06 -1.61 0.00 0.00 0.00 176.54 175.43 1fr0 h GLN 736 N -0.82 0.00 0.00 4.80 4.15 -0.46 1.25 115.11 124.03 1fr0 h GLN 736 Ca -0.02 0.00 -0.28 0.00 0.77 0.00 0.00 58.65 59.11 1fr0 h GLN 736 Cb 0.52 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.16 1fr0 h GLN 736 CO 0.04 0.00 -1.69 1.04 -1.93 0.00 0.00 178.83 176.29 1fr0 n GLN 737 N -3.61 0.63 0.29 1.69 1.13 -0.83 -3.85 117.38 112.84 1fr0 n GLN 737 Ca 0.25 0.29 0.19 0.00 -1.94 0.00 0.00 57.00 55.78 1fr0 n GLN 737 Cb 1.41 -1.79 0.83 0.00 0.11 0.00 0.00 30.24 30.80 1fr0 n GLN 737 CO 0.00 0.00 0.00 0.97 -1.44 0.00 0.00 177.06 176.59 1fr0 h ILE 738 N 0.00 0.00 -0.12 5.09 6.09 0.23 -1.48 117.51 127.33 1fr0 h ILE 738 Ca -0.28 -0.38 0.00 0.00 -1.37 0.00 0.00 64.86 62.84 1fr0 h ILE 738 Cb 1.98 1.37 0.00 0.00 0.47 0.00 0.00 36.82 40.64 1fr0 h ILE 738 CO 0.08 0.00 0.00 1.67 -3.07 0.00 0.00 178.15 176.83 1fr0 n GLN 739 N -3.09 1.46 -2.40 2.19 0.00 -0.85 -3.97 117.38 110.72 1fr0 n GLN 739 Ca -0.00 -0.69 -0.28 0.00 -0.00 0.00 0.00 57.00 56.02 1fr0 n GLN 739 Cb 0.24 -1.32 0.01 0.00 0.00 0.00 0.00 30.24 29.17 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 -0.07 5.05 -2.57 1.69 3.41 -0.56 -4.91 113.62 115.67 1fr0 n SER 740 Ca 0.14 -3.73 -0.06 0.00 -0.26 0.00 0.00 58.87 54.95 1fr0 n SER 740 Cb 0.22 -0.53 -0.04 0.00 -0.26 0.00 0.00 64.21 63.60 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 -0.50 0.77 0.00 4.33 -0.04 -1.25 -2.79 135.00 135.52 1fr0 n PRO 741 Ca 0.41 -0.52 0.00 0.00 -0.04 0.00 0.00 63.50 63.35 1fr0 n PRO 741 Cb 0.62 -1.83 0.00 0.00 -0.04 0.00 0.00 33.50 32.25 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 3.36 1.28 -4.76 3.54 -0.08 -1.26 -4.96 116.55 113.66 1fr0 n ASP 742 Ca 0.17 0.00 -0.41 0.00 -1.51 0.00 0.00 54.79 53.04 1fr0 n ASP 742 Cb 0.22 0.25 -0.03 0.00 2.34 0.00 0.00 41.12 43.90 1fr0 n ASP 742 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 1fr0 s LEU 743 N -0.84 4.44 0.21 -2.67 1.02 -1.12 -4.87 118.68 114.86 1fr0 s LEU 743 Ca 0.00 2.53 0.19 0.00 0.02 0.00 0.00 54.13 56.86 1fr0 s LEU 743 Cb 0.00 -3.63 0.88 0.00 0.02 0.00 0.00 46.19 43.46 1fr0 s LEU 743 CO 0.00 -0.47 1.58 -0.81 0.02 0.00 0.00 176.35 176.67 1fr0 n PRO 744 N 1.50 0.13 -0.04 1.29 -0.04 -1.26 -1.84 135.00 134.73 1fr0 n PRO 744 Ca 0.02 0.48 0.03 0.00 -0.04 0.00 0.00 63.50 63.99 1fr0 n PRO 744 Cb 0.43 -1.81 -0.16 0.00 -0.04 0.00 0.00 33.50 31.92 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 -1.71 2.28 -0.04 0.55 0.00 -1.26 -4.27 120.51 116.07 1fr0 n ALA 745 Ca 0.01 -0.80 -0.13 0.00 0.00 0.00 0.00 53.44 52.52 1fr0 n ALA 745 Cb 0.13 -0.50 -0.08 0.00 0.00 0.00 0.00 19.45 19.00 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 0.31 0.00 0.00 7.01 -1.72 0.15 115.95 121.70 1fr0 h TRP 746 Ca -0.20 -0.10 0.00 0.00 2.11 0.00 0.00 58.89 60.70 1fr0 h TRP 746 Cb 1.43 -0.06 0.00 0.00 -2.10 0.00 0.00 29.16 28.43 1fr0 h TRP 746 CO 0.00 0.70 0.00 -1.91 -2.79 0.00 0.00 178.44 174.44 1fr0 n GLU 747 N -4.62 0.09 0.00 2.65 2.13 -1.11 -0.96 120.64 118.82 1fr0 n GLU 747 Ca -0.07 0.54 0.04 0.00 0.66 0.00 0.00 57.16 58.33 1fr0 n GLU 747 Cb 0.35 -1.78 0.02 0.00 0.27 0.00 0.00 31.44 30.30 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 -1.97 1.37 -0.02 4.31 -0.08 -0.98 -4.52 116.55 114.65 1fr0 n ASP 748 Ca -0.00 -1.19 0.03 0.00 -1.51 0.00 0.00 54.79 52.12 1fr0 n ASP 748 Cb 0.06 0.25 -0.10 0.00 2.34 0.00 0.00 41.12 43.67 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 0.06 2.10 -0.33 1.67 3.02 0.49 -4.59 115.26 117.68 1fr0 n ASN 749 Ca 0.04 0.00 0.04 0.00 -0.03 0.00 0.00 54.58 54.63 1fr0 n ASN 749 Cb 0.19 1.36 0.11 0.00 -0.61 0.00 0.00 39.78 40.83 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 0.08 -0.71 2.41 2.07 -1.28 0.17 116.25 118.99 1fr0 h VAL 750 Ca -0.09 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.50 1fr0 h VAL 750 Cb 0.90 0.08 -0.10 0.00 -1.52 0.00 0.00 31.29 30.65 1fr0 h VAL 750 CO 0.00 0.00 -0.57 1.23 0.02 0.00 0.00 177.57 178.25 1fr0 h GLY 751 N -0.00 -0.93 2.00 2.17 0.00 -1.86 0.38 103.07 104.82 1fr0 h GLY 751 Ca 0.43 0.76 0.00 0.00 0.00 0.00 0.00 47.33 48.52 1fr0 h GLY 751 CO -0.94 -0.04 0.00 -2.09 0.00 0.00 0.00 176.54 173.47 1fr0 h GLU 752 N -0.19 0.00 -0.15 4.80 4.57 -1.45 -2.73 114.58 119.43 1fr0 h GLU 752 Ca 0.12 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.27 1fr0 h GLU 752 Cb 0.50 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.08 1fr0 h GLU 752 CO -0.77 0.00 -0.01 2.35 -1.18 0.00 0.00 179.01 179.40 1fr0 h TRP 753 N 0.00 0.29 0.00 0.92 2.91 0.25 -1.78 115.95 118.55 1fr0 h TRP 753 Ca 0.00 -0.06 -0.14 0.00 1.13 0.00 0.00 58.89 59.82 1fr0 h TRP 753 Cb 0.70 -0.07 0.01 0.00 -0.51 0.00 0.00 29.16 29.29 1fr0 h TRP 753 CO 0.00 0.51 -0.56 0.82 -1.03 0.00 0.00 178.44 178.19 1fr0 h ILE 754 N -0.01 1.45 -0.07 2.65 1.08 -1.14 -2.68 117.51 118.78 1fr0 h ILE 754 Ca 0.04 -2.08 0.04 0.00 -0.39 0.00 0.00 64.86 62.47 1fr0 h ILE 754 Cb 0.40 2.64 -0.05 0.00 -3.07 0.00 0.00 36.82 36.74 1fr0 h ILE 754 CO 0.01 0.60 -0.22 -0.33 -0.69 0.00 0.00 178.15 177.51 1fr0 h GLU 755 N -0.17 -0.30 -0.54 2.37 5.08 -1.54 -1.62 114.58 117.86 1fr0 h GLU 755 Ca -0.07 0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.36 1fr0 h GLU 755 Cb 1.28 0.07 -0.05 0.00 0.50 0.00 0.00 28.75 30.55 1fr0 h GLU 755 CO 0.11 -0.20 0.27 1.49 -1.00 0.00 0.00 179.01 179.68 1fr0 h GLU 756 N -0.31 0.50 -0.34 2.33 4.57 -1.41 -2.53 114.58 117.38 1fr0 h GLU 756 Ca 0.08 -0.03 0.07 0.00 -1.18 0.00 0.00 59.36 58.30 1fr0 h GLU 756 Cb 0.43 -0.11 -0.09 0.00 -0.16 0.00 0.00 28.75 28.82 1fr0 h GLU 756 CO -0.26 0.33 -0.37 1.98 -1.18 0.00 0.00 179.01 179.52 1fr0 h MET 757 N 0.52 -0.31 0.13 1.92 4.05 -0.96 -2.37 114.93 117.91 1fr0 h MET 757 Ca 0.24 0.02 0.01 0.00 -0.28 0.00 0.00 59.70 59.69 1fr0 h MET 757 Cb 0.17 0.07 -0.04 0.00 -0.80 0.00 0.00 31.60 31.00 1fr0 h MET 757 CO -0.18 -0.21 -0.47 -0.22 0.23 0.00 0.00 176.91 176.06 1fr0 h LYS 758 N -0.32 -0.67 -3.09 0.39 3.64 -0.97 0.20 116.57 115.75 1fr0 h LYS 758 Ca 0.14 0.05 -0.68 0.00 -1.27 0.00 0.00 60.65 58.88 1fr0 h LYS 758 Cb 0.57 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.54 1fr0 h LYS 758 CO -0.52 -0.45 3.59 -1.91 -2.27 0.00 0.00 179.45 177.90 1fr0 n GLU 759 N -5.16 3.70 0.00 1.90 0.00 -0.91 -3.91 120.64 116.27 1fr0 n GLU 759 Ca -0.08 -2.41 0.00 0.00 0.00 0.00 0.00 57.16 54.67 1fr0 n GLU 759 Cb 0.37 -2.84 0.00 0.00 0.00 0.00 0.00 31.44 28.97 1fr0 n GLU 759 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1fr0 n GLU 760 N 3.69 0.00 -0.27 5.31 4.07 -1.03 -4.90 120.64 127.52 1fr0 n GLU 760 Ca 0.73 0.00 0.07 0.00 -0.06 0.00 0.00 57.16 57.90 1fr0 n GLU 760 Cb 0.25 0.00 0.21 0.00 -0.06 0.00 0.00 31.44 31.84 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 0.44 -0.02 4.31 5.08 -0.73 -1.55 115.95 123.49 1fr0 h TRP 761 Ca 0.00 0.04 0.03 0.00 1.08 0.00 0.00 58.89 60.04 1fr0 h TRP 761 Cb 0.00 -0.07 -0.06 0.00 -3.00 0.00 0.00 29.16 26.03 1fr0 h TRP 761 CO 0.00 -0.02 -0.44 -0.09 -1.28 0.00 0.00 178.44 176.61 1fr0 h ARG 762 N 0.36 -0.56 -0.77 0.12 9.65 -1.79 -0.92 114.38 120.48 1fr0 h ARG 762 Ca 0.45 0.04 0.18 0.00 -1.10 0.00 0.00 59.98 59.54 1fr0 h ARG 762 Cb 0.76 0.13 -0.13 0.00 -1.39 0.00 0.00 29.97 29.34 1fr0 h ARG 762 CO -0.48 -0.37 0.08 1.25 2.80 0.00 0.00 179.97 183.25 1fr0 h HIS 763 N -0.58 0.09 -1.00 2.20 2.76 -1.66 0.51 115.15 117.47 1fr0 h HIS 763 Ca 0.05 0.05 0.17 0.00 -2.20 0.00 0.00 60.37 58.44 1fr0 h HIS 763 Cb 0.66 0.08 -0.10 0.00 1.55 0.00 0.00 27.41 29.61 1fr0 h HIS 763 CO -0.45 -0.20 0.62 -0.44 -1.30 0.00 0.00 177.93 176.16 1fr0 h ASP 764 N 0.16 0.80 0.04 3.26 3.32 -0.83 -1.70 116.42 121.46 1fr0 h ASP 764 Ca 0.43 0.08 -0.00 0.00 0.02 0.00 0.00 57.03 57.56 1fr0 h ASP 764 Cb 0.78 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.26 1fr0 h ASP 764 CO -0.62 0.33 -0.02 0.58 -1.72 0.00 0.00 179.24 177.78 1fr0 h VAL 765 N 0.80 1.27 -0.63 -1.35 2.07 0.38 -2.32 116.25 116.48 1fr0 h VAL 765 Ca 0.55 -1.70 0.06 0.00 0.82 0.00 0.00 66.70 66.44 1fr0 h VAL 765 Cb 0.81 2.29 -0.09 0.00 -1.52 0.00 0.00 31.29 32.78 1fr0 h VAL 765 CO -0.34 0.39 -0.54 -0.08 0.02 0.00 0.00 177.57 177.02 1fr0 h GLU 766 N -0.89 -0.20 -0.39 1.57 4.81 -0.42 0.18 114.58 119.24 1fr0 h GLU 766 Ca -0.01 0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.26 1fr0 h GLU 766 Cb 0.68 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.07 1fr0 h GLU 766 CO 0.01 -0.14 0.20 0.28 -0.73 0.00 0.00 179.01 178.63 1fr0 h VAL 767 N -0.21 0.99 -0.33 0.32 2.07 -1.46 -2.57 116.25 115.06 1fr0 h VAL 767 Ca 0.10 -0.14 0.05 0.00 0.82 0.00 0.00 66.70 67.53 1fr0 h VAL 767 Cb 0.48 0.55 -0.08 0.00 -1.52 0.00 0.00 31.29 30.72 1fr0 h VAL 767 CO -0.70 0.07 -0.55 0.25 0.02 0.00 0.00 177.57 176.66 1fr0 h LEU 768 N 0.41 -1.81 -1.16 2.57 5.85 -0.24 0.42 115.31 121.35 1fr0 h LEU 768 Ca 0.16 0.23 0.26 0.00 0.84 0.00 0.00 57.88 59.37 1fr0 h LEU 768 Cb 0.06 0.73 -0.11 0.00 0.37 0.00 0.00 40.66 41.71 1fr0 h LEU 768 CO -0.11 -0.43 0.63 0.50 -0.34 0.00 0.00 178.44 178.70 1fr0 h LYS 769 N -0.45 0.48 -0.46 1.25 3.64 -0.48 0.30 116.57 120.85 1fr0 h LYS 769 Ca 0.07 -0.03 -0.14 0.00 -1.27 0.00 0.00 60.65 59.28 1fr0 h LYS 769 Cb 0.62 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.32 1fr0 h LYS 769 CO -0.55 0.32 -0.24 0.00 -2.27 0.00 0.00 179.45 176.70 1fr0 h ALA 770 N 1.68 0.69 0.64 5.00 0.00 0.07 -2.52 119.26 124.81 1fr0 h ALA 770 Ca 0.63 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 1fr0 h ALA 770 Cb 1.38 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 1fr0 h ALA 770 CO -0.40 0.67 -0.37 2.35 0.00 0.00 0.00 179.25 181.51 1fr0 h TRP 771 N 0.83 -0.97 -0.97 0.00 7.01 0.25 1.16 115.95 123.26 1fr0 h TRP 771 Ca 0.10 -0.01 0.13 0.00 2.11 0.00 0.00 58.89 61.22 1fr0 h TRP 771 Cb 0.82 0.34 -0.09 0.00 -2.10 0.00 0.00 29.16 28.13 1fr0 h TRP 771 CO 0.05 -0.57 0.59 0.28 -2.79 0.00 0.00 178.44 176.01 1fr0 h VAL 772 N -0.94 0.87 0.00 2.65 2.07 -1.42 1.35 116.25 120.84 1fr0 h VAL 772 Ca -0.08 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.13 1fr0 h VAL 772 Cb 0.75 -0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 1fr0 h VAL 772 CO 0.10 0.17 -0.03 0.00 0.02 0.00 0.00 177.57 177.83 1fr0 h ALA 773 N 1.55 0.99 0.00 1.67 0.00 -1.05 -3.29 119.26 119.12 1fr0 h ALA 773 Ca 0.49 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.32 1fr0 h ALA 773 Cb 0.55 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1fr0 h ALA 773 CO -0.29 0.00 -1.08 1.17 0.00 0.00 0.00 179.25 179.05 1fr0 n LYS 774 N -2.89 0.52 -0.08 0.00 0.00 0.40 -4.25 118.16 111.86 1fr0 n LYS 774 Ca 0.04 0.36 0.24 0.00 0.00 0.00 0.00 58.31 58.95 1fr0 n LYS 774 Cb 0.51 -1.56 0.53 0.00 0.00 0.00 0.00 35.03 34.51 1fr0 n LYS 774 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1fr0 h ALA 775 N -0.95 2.61 -3.09 3.14 0.00 0.15 -3.12 119.26 118.00 1fr0 h ALA 775 Ca -0.13 -0.03 -0.71 0.00 0.00 0.00 0.00 54.91 54.04 1fr0 h ALA 775 Cb 0.96 0.06 -0.34 0.00 0.00 0.00 0.00 17.79 18.47 1fr0 h ALA 775 CO -0.08 -1.34 -0.31 0.99 0.00 0.00 0.00 179.25 178.51 1fr0 s THR 776 N -4.46 3.98 -0.21 0.00 2.01 -1.24 -5.05 115.64 110.67 1fr0 s THR 776 Ca -0.03 -2.79 -0.05 0.00 0.31 0.00 0.00 61.69 59.13 1fr0 s THR 776 Cb 0.14 -3.58 -0.02 0.00 0.01 0.00 0.00 72.50 69.04 1fr0 s THR 776 CO 0.47 -0.88 0.01 -0.75 -0.69 0.00 0.00 174.62 172.77 1fr0 s LYS 777 N 0.10 3.59 0.00 4.92 2.47 -1.18 -4.88 119.74 124.76 1fr0 s LYS 777 Ca 0.16 -0.53 0.00 0.00 -1.56 0.00 0.00 55.97 54.04 1fr0 s LYS 777 Cb -0.19 -3.11 0.00 0.00 -1.46 0.00 0.00 37.83 33.07 1fr0 s LYS 777 CO -0.04 -0.05 0.00 1.63 0.16 0.00 0.00 175.35 177.05