#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fr0 s THR 655 N 0.00 0.01 -1.40 1.09 2.01 -1.26 -4.86 115.64 111.23 1fr0 s THR 655 Ca 0.00 -0.06 -0.10 0.00 0.31 0.00 0.00 61.69 61.85 1fr0 s THR 655 Cb 0.00 -0.13 0.03 0.00 0.01 0.00 0.00 72.50 72.41 1fr0 s THR 655 CO 0.00 -0.03 1.14 1.21 -0.69 0.00 0.00 174.62 176.25 1fr0 n GLU 656 N 2.94 -7.46 0.00 4.92 0.00 -1.26 -4.86 120.64 114.91 1fr0 n GLU 656 Ca -0.13 0.78 0.00 0.00 0.00 0.00 0.00 57.16 57.81 1fr0 n GLU 656 Cb 0.59 -5.80 0.00 0.00 0.00 0.00 0.00 31.44 26.23 1fr0 n GLU 656 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.13 176.28 1fr0 n GLU 657 N -4.94 0.23 -4.13 5.31 -0.00 -1.26 -5.04 120.64 110.81 1fr0 n GLU 657 Ca 0.01 -0.67 -0.15 0.00 -0.00 0.00 0.00 57.16 56.36 1fr0 n GLU 657 Cb 0.55 -0.88 -0.13 0.00 -0.00 0.00 0.00 31.44 30.98 1fr0 n GLU 657 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1fr0 s ASN 658 N -0.25 0.85 1.02 -1.84 6.03 -1.26 -5.05 114.94 114.45 1fr0 s ASN 658 Ca 0.00 -0.36 -0.11 0.00 -1.03 0.00 0.00 52.86 51.36 1fr0 s ASN 658 Cb 0.00 -0.02 0.21 0.00 -3.03 0.00 0.00 41.25 38.40 1fr0 s ASN 658 CO 0.00 -0.07 1.09 -0.44 -2.03 0.00 0.00 177.10 175.65 1fr0 s SER 659 N -0.95 2.07 0.11 3.54 0.01 -1.26 -4.65 113.70 112.57 1fr0 s SER 659 Ca -0.04 1.90 -0.30 0.00 1.31 0.00 0.00 55.95 58.82 1fr0 s SER 659 Cb -0.07 -2.46 -0.10 0.00 0.21 0.00 0.00 66.02 63.60 1fr0 s SER 659 CO 0.00 -3.58 1.61 0.11 0.41 0.00 0.00 173.24 171.79 1fr0 h LYS 660 N -2.20 -0.62 -0.96 12.44 1.79 -2.00 -0.14 116.57 124.87 1fr0 h LYS 660 Ca -0.51 0.04 0.18 0.00 -2.18 0.00 0.00 60.65 58.19 1fr0 h LYS 660 Cb 1.30 0.14 -0.09 0.00 -1.58 0.00 0.00 32.23 32.00 1fr0 h LYS 660 CO 0.45 -0.41 0.61 0.77 -1.08 0.00 0.00 179.45 179.79 1fr0 h SER 661 N -0.64 0.66 0.79 0.86 0.02 -1.97 0.35 113.55 113.61 1fr0 h SER 661 Ca 0.01 0.07 -0.06 0.00 -0.84 0.00 0.00 61.79 60.96 1fr0 h SER 661 Cb 0.64 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.11 1fr0 h SER 661 CO -0.16 0.26 -0.30 -0.33 -1.14 0.00 0.00 176.83 175.16 1fr0 h GLU 662 N 0.66 0.00 0.00 3.45 5.08 -1.50 -2.60 114.58 119.67 1fr0 h GLU 662 Ca 0.52 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.88 1fr0 h GLU 662 Cb 0.95 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.20 1fr0 h GLU 662 CO -0.28 0.30 0.00 0.00 -1.00 0.00 0.00 179.01 178.03 1fr0 n ALA 663 N -2.28 1.74 -0.02 3.43 0.00 0.12 -2.60 120.51 120.90 1fr0 n ALA 663 Ca -0.00 0.03 0.02 0.00 0.00 0.00 0.00 53.44 53.48 1fr0 n ALA 663 Cb 0.45 -1.35 -0.14 0.00 0.00 0.00 0.00 19.45 18.41 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 -1.98 0.25 -3.82 0.00 4.77 -0.98 -4.19 117.00 111.04 1fr0 n LEU 664 Ca 0.03 0.11 -0.09 0.00 -0.03 0.00 0.00 56.01 56.02 1fr0 n LEU 664 Cb 0.23 0.18 -0.06 0.00 -2.33 0.00 0.00 43.42 41.44 1fr0 n LEU 664 CO 0.19 0.19 0.04 -1.48 -1.33 0.00 0.00 177.39 174.99 1fr0 s LEU 665 N -5.18 0.85 -0.26 2.23 0.05 -1.07 -1.80 118.68 113.50 1fr0 s LEU 665 Ca -0.07 -0.62 -0.19 0.00 0.05 0.00 0.00 54.13 53.30 1fr0 s LEU 665 Cb 0.10 1.42 -0.02 0.00 -2.05 0.00 0.00 46.19 45.64 1fr0 s LEU 665 CO 0.85 -0.86 0.55 -0.62 -0.55 0.00 0.00 176.35 175.73 1fr0 s ASP 666 N -2.88 6.47 -0.03 1.48 -1.08 -0.84 -4.52 116.67 115.26 1fr0 s ASP 666 Ca 0.09 0.54 -0.25 0.00 -0.52 0.00 0.00 52.55 52.42 1fr0 s ASP 666 Cb 0.03 -2.30 -0.19 0.00 -1.46 0.00 0.00 42.92 39.00 1fr0 s ASP 666 CO -0.07 -0.32 1.12 0.40 0.52 0.00 0.00 175.17 176.82 1fr0 h ILE 667 N 5.42 1.15 -0.03 4.11 5.03 -1.92 -2.58 117.51 128.69 1fr0 h ILE 667 Ca -0.28 -1.13 -0.01 0.00 -0.12 0.00 0.00 64.86 63.32 1fr0 h ILE 667 Cb 1.13 1.85 -0.00 0.00 -3.03 0.00 0.00 36.82 36.78 1fr0 h ILE 667 CO 0.74 0.27 -0.02 1.55 -0.68 0.00 0.00 178.15 180.00 1fr0 h PRO 668 N -0.66 0.08 -0.52 2.37 0.13 -2.00 -2.71 132.00 128.69 1fr0 h PRO 668 Ca -0.01 -0.04 0.08 0.00 -0.87 0.00 0.00 66.00 65.16 1fr0 h PRO 668 Cb 0.53 -0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.59 1fr0 h PRO 668 CO 0.02 0.50 0.14 1.98 -0.23 0.00 0.00 178.00 180.41 1fr0 h MET 669 N -0.35 0.29 -0.50 0.86 4.05 -1.99 -1.07 114.93 116.22 1fr0 h MET 669 Ca 0.01 -0.02 0.06 0.00 -0.28 0.00 0.00 59.70 59.47 1fr0 h MET 669 Cb 0.48 -0.07 -0.05 0.00 -0.80 0.00 0.00 31.60 31.16 1fr0 h MET 669 CO 0.01 0.19 0.20 -0.07 0.23 0.00 0.00 176.91 177.47 1fr0 h LEU 670 N 0.30 0.24 -1.44 3.39 3.38 -1.45 0.13 115.31 119.85 1fr0 h LEU 670 Ca 0.26 0.05 0.13 0.00 0.09 0.00 0.00 57.88 58.41 1fr0 h LEU 670 Cb 0.32 0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.04 1fr0 h LEU 670 CO -0.30 0.17 0.52 -0.08 0.09 0.00 0.00 178.44 178.84 1fr0 h GLU 671 N 0.40 0.56 0.31 1.13 4.81 -0.88 -1.69 114.58 119.21 1fr0 h GLU 671 Ca 0.23 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.42 1fr0 h GLU 671 Cb 0.22 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.48 1fr0 h GLU 671 CO -0.22 0.37 -0.15 0.37 -0.73 0.00 0.00 179.01 178.66 1fr0 h GLN 672 N 0.58 -0.39 -0.70 1.92 4.15 -0.26 -1.93 115.11 118.47 1fr0 h GLN 672 Ca 0.38 0.03 0.16 0.00 0.77 0.00 0.00 58.65 59.99 1fr0 h GLN 672 Cb 0.68 0.09 -0.04 0.00 0.21 0.00 0.00 27.48 28.42 1fr0 h GLN 672 CO -0.15 -0.24 0.48 1.88 -1.93 0.00 0.00 178.83 178.87 1fr0 h TYR 673 N -0.44 0.29 -0.32 3.99 -1.99 -1.00 -0.56 116.97 116.95 1fr0 h TYR 673 Ca -0.04 0.01 -0.14 0.00 2.00 0.00 0.00 58.73 60.56 1fr0 h TYR 673 Cb 0.33 -0.09 -0.00 0.00 2.00 0.00 0.00 36.73 38.97 1fr0 h TYR 673 CO -0.05 0.11 -0.34 -0.07 -0.00 0.00 0.00 178.16 177.81 1fr0 h LEU 674 N 0.25 0.86 -1.53 3.88 4.07 -0.96 -1.98 115.31 119.90 1fr0 h LEU 674 Ca 0.34 -0.48 -0.05 0.00 0.08 0.00 0.00 57.88 57.78 1fr0 h LEU 674 Cb 0.97 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 42.46 1fr0 h LEU 674 CO -0.08 1.16 -0.21 -0.08 -1.08 0.00 0.00 178.44 178.15 1fr0 h GLU 675 N 0.57 0.04 0.23 1.13 4.81 -0.39 0.67 114.58 121.64 1fr0 h GLU 675 Ca 0.05 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.26 1fr0 h GLU 675 Cb 0.93 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.30 1fr0 h GLU 675 CO 0.08 0.25 -0.11 -0.07 -0.73 0.00 0.00 179.01 178.43 1fr0 h LEU 676 N 0.03 -0.26 0.00 1.64 3.38 -1.23 -3.43 115.31 115.45 1fr0 h LEU 676 Ca 0.01 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 1fr0 h LEU 676 Cb 0.40 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 1fr0 h LEU 676 CO 0.03 0.21 -1.32 0.52 0.09 0.00 0.00 178.44 177.96 1fr0 n VAL 677 N -4.98 0.32 0.00 1.22 0.31 -0.78 -5.12 118.33 109.30 1fr0 n VAL 677 Ca -0.04 -0.17 0.00 0.00 -0.01 0.00 0.00 64.34 64.12 1fr0 n VAL 677 Cb 0.13 -0.81 0.00 0.00 -0.91 0.00 0.00 33.84 32.25 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 2.93 0.19 0.18 2.92 0.00 0.23 -4.42 105.19 107.22 1fr0 n GLY 678 Ca -0.09 -1.89 0.14 0.00 0.00 0.00 0.00 46.02 44.18 1fr0 n GLY 678 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1fr0 h PRO 679 N 0.00 0.00 0.77 1.61 0.13 -1.89 -3.29 132.00 129.33 1fr0 h PRO 679 Ca 0.00 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.09 1fr0 h PRO 679 Cb 0.00 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.14 1fr0 h PRO 679 CO 0.00 0.00 -0.37 -0.22 -0.23 0.00 0.00 178.00 177.18 1fr0 h LYS 680 N 0.00 -1.00 0.66 0.86 1.63 -1.96 0.66 116.57 117.42 1fr0 h LYS 680 Ca 0.00 0.07 -0.03 0.00 -0.85 0.00 0.00 60.65 59.84 1fr0 h LYS 680 Cb 0.64 0.23 -0.01 0.00 -0.60 0.00 0.00 32.23 32.49 1fr0 h LYS 680 CO 0.00 -0.65 -0.44 1.25 -3.45 0.00 0.00 179.45 176.16 1fr0 h LEU 681 N -1.23 -1.12 -1.56 5.20 5.85 -1.84 0.33 115.31 120.95 1fr0 h LEU 681 Ca -0.11 0.07 0.12 0.00 0.84 0.00 0.00 57.88 58.80 1fr0 h LEU 681 Cb 0.81 0.34 -0.05 0.00 0.37 0.00 0.00 40.66 42.13 1fr0 h LEU 681 CO 0.17 -0.66 0.47 0.40 -0.34 0.00 0.00 178.44 178.48 1fr0 h ILE 682 N -1.05 0.86 0.01 4.05 2.04 -1.65 0.30 117.51 122.08 1fr0 h ILE 682 Ca -0.08 -0.16 -0.00 0.00 1.00 0.00 0.00 64.86 65.62 1fr0 h ILE 682 Cb 0.85 0.35 0.00 0.00 -0.74 0.00 0.00 36.82 37.28 1fr0 h ILE 682 CO 0.06 0.09 -0.01 0.74 0.00 0.00 0.00 178.15 179.03 1fr0 h THR 683 N 0.47 0.00 -0.54 -0.27 2.02 -0.39 -2.15 112.91 112.05 1fr0 h THR 683 Ca 0.34 -0.16 0.10 0.00 0.77 0.00 0.00 66.41 67.46 1fr0 h THR 683 Cb 0.67 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 67.00 1fr0 h THR 683 CO -0.11 0.00 0.05 0.44 0.37 0.00 0.00 175.52 176.28 1fr0 h ASP 684 N -0.18 -0.12 0.38 4.18 3.32 -0.35 0.93 116.42 124.59 1fr0 h ASP 684 Ca -0.00 0.12 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 1fr0 h ASP 684 Cb 0.01 0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 1fr0 h ASP 684 CO 0.00 -0.04 -0.24 1.23 -1.72 0.00 0.00 179.24 178.48 1fr0 h GLY 685 N 0.18 -0.62 1.01 2.75 0.00 -0.53 -1.78 103.07 104.07 1fr0 h GLY 685 Ca 0.28 0.26 0.13 0.00 0.00 0.00 0.00 47.33 48.00 1fr0 h GLY 685 CO -0.41 -0.24 0.38 -2.00 0.00 0.00 0.00 176.54 174.27 1fr0 h LEU 686 N -0.60 0.17 -0.31 3.11 5.85 -0.68 -1.37 115.31 121.48 1fr0 h LEU 686 Ca -0.04 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.65 1fr0 h LEU 686 Cb 0.49 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 1fr0 h LEU 686 CO 0.04 0.09 0.07 0.00 -0.34 0.00 0.00 178.44 178.30 1fr0 h ALA 687 N 1.73 0.40 -0.89 1.25 0.00 0.01 -0.46 119.26 121.30 1fr0 h ALA 687 Ca 0.26 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1fr0 h ALA 687 Cb 0.78 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 1fr0 h ALA 687 CO -0.04 0.07 0.49 0.28 0.00 0.00 0.00 179.25 180.05 1fr0 h VAL 688 N 0.33 1.26 0.08 0.00 2.07 -0.72 -1.94 116.25 117.33 1fr0 h VAL 688 Ca 0.10 -0.65 -0.00 0.00 0.82 0.00 0.00 66.70 66.97 1fr0 h VAL 688 Cb 0.31 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.13 1fr0 h VAL 688 CO 0.00 0.29 -0.04 0.15 0.02 0.00 0.00 177.57 178.00 1fr0 h PHE 689 N 1.25 -0.10 -0.08 1.57 3.57 -1.29 -2.68 116.94 119.19 1fr0 h PHE 689 Ca 0.31 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.84 1fr0 h PHE 689 Cb 0.03 0.03 -0.00 0.00 2.79 0.00 0.00 35.95 38.80 1fr0 h PHE 689 CO 0.01 0.36 0.17 1.05 -2.23 0.00 0.00 178.31 177.67 1fr0 h GLU 690 N -0.59 0.00 0.04 1.11 4.11 -0.98 0.26 114.58 118.52 1fr0 h GLU 690 Ca -0.01 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.34 1fr0 h GLU 690 Cb 0.49 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.75 1fr0 h GLU 690 CO 0.02 0.00 -0.34 -0.22 0.07 0.00 0.00 179.01 178.54 1fr0 h LYS 691 N 0.00 0.16 -0.57 1.06 3.11 -1.16 -3.29 116.57 115.88 1fr0 h LYS 691 Ca 0.04 -0.23 0.00 0.00 -2.81 0.00 0.00 60.65 57.65 1fr0 h LYS 691 Cb 0.39 0.08 0.00 0.00 -1.00 0.00 0.00 32.23 31.69 1fr0 h LYS 691 CO -0.00 1.04 0.00 -1.33 -2.81 0.00 0.00 179.45 176.35 1fr0 n MET 692 N -4.42 2.61 -0.00 1.90 2.81 -0.77 -4.32 117.12 114.93 1fr0 n MET 692 Ca -0.11 -1.90 -0.13 0.00 -1.81 0.00 0.00 57.70 53.76 1fr0 n MET 692 Cb 0.59 -1.58 -0.09 0.00 -0.71 0.00 0.00 33.22 31.42 1fr0 n MET 692 CO 0.00 0.00 0.00 1.98 1.51 0.00 0.00 175.97 179.46 1fr0 h MET 693 N 2.84 -0.01 -0.22 0.03 4.05 -0.59 -1.62 114.93 119.42 1fr0 h MET 693 Ca 0.00 0.00 -0.10 0.00 -0.28 0.00 0.00 59.70 59.32 1fr0 h MET 693 Cb 0.93 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.72 1fr0 h MET 693 CO 0.10 0.38 -0.25 -1.00 0.23 0.00 0.00 176.91 176.38 1fr0 h PRO 694 N -0.40 0.55 -0.63 0.39 0.13 -1.79 -2.53 132.00 127.72 1fr0 h PRO 694 Ca -0.00 -0.31 0.06 0.00 -0.87 0.00 0.00 66.00 64.89 1fr0 h PRO 694 Cb 0.39 0.02 -0.04 0.00 0.13 0.00 0.00 31.00 31.50 1fr0 h PRO 694 CO 0.00 0.90 0.42 0.78 -0.23 0.00 0.00 178.00 179.87 1fr0 h GLY 695 N 0.24 0.78 0.24 1.56 0.00 -1.78 0.92 103.07 105.03 1fr0 h GLY 695 Ca 0.03 -0.25 -0.01 0.00 0.00 0.00 0.00 47.33 47.10 1fr0 h GLY 695 CO 0.06 0.19 -0.11 -0.97 0.00 0.00 0.00 176.54 175.70 1fr0 h TYR 696 N 0.62 -0.29 -0.96 5.60 0.05 -1.08 -2.76 116.97 118.14 1fr0 h TYR 696 Ca 0.27 -0.01 0.25 0.00 0.05 0.00 0.00 58.73 59.29 1fr0 h TYR 696 Cb 0.28 0.10 -0.06 0.00 1.01 0.00 0.00 36.73 38.06 1fr0 h TYR 696 CO -0.00 -0.18 0.65 -0.39 -1.05 0.00 0.00 178.16 177.19 1fr0 h VAL 697 N -0.40 0.58 0.19 -2.88 -1.51 -1.30 -0.84 116.25 110.08 1fr0 h VAL 697 Ca -0.03 -0.09 0.01 0.00 -1.23 0.00 0.00 66.70 65.36 1fr0 h VAL 697 Cb 0.24 0.29 -0.04 0.00 -2.13 0.00 0.00 31.29 29.65 1fr0 h VAL 697 CO 0.05 0.05 -0.45 -1.28 -1.23 0.00 0.00 177.57 174.71 1fr0 h SER 698 N 0.27 -1.30 -0.44 4.19 0.87 -0.69 0.24 113.55 116.68 1fr0 h SER 698 Ca 0.50 0.14 0.13 0.00 -1.23 0.00 0.00 61.79 61.33 1fr0 h SER 698 Cb 1.50 0.48 -0.02 0.00 -0.44 0.00 0.00 62.40 63.92 1fr0 h SER 698 CO -0.15 -0.53 0.32 0.58 -0.53 0.00 0.00 176.83 176.52 1fr0 h VAL 699 N -0.73 0.78 -0.43 2.23 2.07 -0.87 0.10 116.25 119.40 1fr0 h VAL 699 Ca 0.00 -0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.45 1fr0 h VAL 699 Cb 0.72 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 1fr0 h VAL 699 CO -0.22 0.00 -0.01 -0.07 0.02 0.00 0.00 177.57 177.29 1fr0 h LEU 700 N 0.01 0.75 0.05 2.57 4.07 -0.22 -2.22 115.31 120.32 1fr0 h LEU 700 Ca 0.21 -0.32 0.02 0.00 0.08 0.00 0.00 57.88 57.87 1fr0 h LEU 700 Cb 0.84 -0.20 -0.02 0.00 1.08 0.00 0.00 40.66 42.35 1fr0 h LEU 700 CO -0.00 0.88 -0.14 -0.08 -1.08 0.00 0.00 178.44 178.02 1fr0 h GLU 701 N 0.59 -0.26 -0.49 1.13 4.57 0.12 0.24 114.58 120.48 1fr0 h GLU 701 Ca 0.12 0.02 0.10 0.00 -1.18 0.00 0.00 59.36 58.41 1fr0 h GLU 701 Cb 0.51 0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 29.13 1fr0 h GLU 701 CO 0.02 -0.17 0.34 0.77 -1.18 0.00 0.00 179.01 178.79 1fr0 h SER 702 N -0.27 0.22 0.76 1.04 0.02 -1.42 0.75 113.55 114.65 1fr0 h SER 702 Ca 0.03 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.81 1fr0 h SER 702 Cb 0.30 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.78 1fr0 h SER 702 CO -0.10 0.13 -0.84 0.78 -1.14 0.00 0.00 176.83 175.66 1fr0 h ASN 703 N 0.25 0.07 -0.27 3.07 2.35 -0.52 -2.88 115.58 117.64 1fr0 h ASN 703 Ca 0.23 -0.06 -0.00 0.00 -0.55 0.00 0.00 56.30 55.92 1fr0 h ASN 703 Cb 0.58 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.91 1fr0 h ASN 703 CO -0.04 0.88 0.17 -0.07 -1.65 0.00 0.00 177.43 176.71 1fr0 h LEU 704 N 0.03 0.33 -0.19 1.61 -0.00 0.19 -0.94 115.31 116.33 1fr0 h LEU 704 Ca -0.02 -0.05 0.00 0.00 -0.00 0.00 0.00 57.88 57.81 1fr0 h LEU 704 Cb 1.47 -0.08 0.00 0.00 -0.00 0.00 0.00 40.66 42.05 1fr0 h LEU 704 CO 0.11 0.28 0.00 0.35 -0.00 0.00 0.00 178.44 179.18 1fr0 n THR 705 N -4.87 0.63 0.50 0.22 -2.24 -1.04 -2.38 114.28 105.11 1fr0 n THR 705 Ca -0.02 0.07 0.12 0.00 -2.27 0.00 0.00 64.05 61.95 1fr0 n THR 705 Cb 0.05 -0.83 0.22 0.00 -2.10 0.00 0.00 70.33 67.66 1fr0 n THR 705 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1fr0 n ALA 706 N -1.64 2.44 -3.73 6.98 0.00 -0.49 -4.95 120.51 119.12 1fr0 n ALA 706 Ca 0.04 -0.91 -0.26 0.00 0.00 0.00 0.00 53.44 52.32 1fr0 n ALA 706 Cb 0.28 -0.89 0.05 0.00 0.00 0.00 0.00 19.45 18.90 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 1.36 -6.51 -2.23 0.00 1.13 -0.48 -4.87 117.38 105.78 1fr0 n GLN 707 Ca 0.18 0.71 -0.40 0.00 -1.94 0.00 0.00 57.00 55.56 1fr0 n GLN 707 Cb 0.58 -5.64 0.00 0.00 0.11 0.00 0.00 30.24 25.29 1fr0 n GLN 707 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1fr0 n ASP 708 N -2.96 7.63 -0.33 1.08 9.92 -0.61 -4.76 116.55 126.53 1fr0 n ASP 708 Ca -0.04 -3.42 0.19 0.00 -0.53 0.00 0.00 54.79 50.99 1fr0 n ASP 708 Cb 0.57 -1.25 0.43 0.00 -0.64 0.00 0.00 41.12 40.22 1fr0 n ASP 708 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 1fr0 h LYS 709 N 4.23 0.52 0.46 -1.24 1.57 -1.89 -1.80 116.57 118.43 1fr0 h LYS 709 Ca 0.61 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 59.33 1fr0 h LYS 709 Cb 0.32 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.52 1fr0 h LYS 709 CO 1.31 0.35 -0.22 -0.22 -0.57 0.00 0.00 179.45 180.09 1fr0 h LYS 710 N 0.54 -0.60 -0.98 3.15 1.63 -1.99 -0.80 116.57 117.51 1fr0 h LYS 710 Ca 0.59 0.04 0.23 0.00 -0.85 0.00 0.00 60.65 60.67 1fr0 h LYS 710 Cb 1.25 0.14 -0.12 0.00 -0.60 0.00 0.00 32.23 32.90 1fr0 h LYS 710 CO -0.35 -0.40 0.56 0.78 -3.45 0.00 0.00 179.45 176.59 1fr0 h GLY 711 N -0.65 1.84 1.27 5.01 0.00 -1.87 0.19 103.07 108.85 1fr0 h GLY 711 Ca -0.06 -0.30 -0.07 0.00 0.00 0.00 0.00 47.33 46.90 1fr0 h GLY 711 CO 0.10 -0.22 0.08 -2.22 0.00 0.00 0.00 176.54 174.28 1fr0 h ILE 712 N 0.58 1.24 0.32 2.60 2.04 -1.17 -2.32 117.51 120.80 1fr0 h ILE 712 Ca 0.62 -0.96 -0.02 0.00 1.00 0.00 0.00 64.86 65.51 1fr0 h ILE 712 Cb 1.15 0.73 0.00 0.00 -0.74 0.00 0.00 36.82 37.97 1fr0 h ILE 712 CO -0.47 0.35 -0.15 0.58 0.00 0.00 0.00 178.15 178.46 1fr0 h VAL 713 N 0.85 0.71 0.90 1.67 2.07 0.88 0.13 116.25 123.45 1fr0 h VAL 713 Ca 0.17 -0.27 -0.04 0.00 0.82 0.00 0.00 66.70 67.38 1fr0 h VAL 713 Cb 0.40 0.86 0.01 0.00 -1.52 0.00 0.00 31.29 31.03 1fr0 h VAL 713 CO 0.01 0.06 -0.43 -0.33 0.02 0.00 0.00 177.57 176.90 1fr0 h GLU 714 N -0.57 -1.16 0.00 1.57 4.39 -1.44 -1.90 114.58 115.47 1fr0 h GLU 714 Ca -0.04 0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.74 1fr0 h GLU 714 Cb 0.42 0.26 0.00 0.00 -0.10 0.00 0.00 28.75 29.33 1fr0 h GLU 714 CO 0.07 -0.77 0.00 0.39 -1.16 0.00 0.00 179.01 177.54 1fr0 n GLU 715 N -5.59 0.04 0.09 2.33 1.02 -0.88 -1.31 120.64 116.35 1fr0 n GLU 715 Ca -0.15 0.46 -0.04 0.00 -0.02 0.00 0.00 57.16 57.40 1fr0 n GLU 715 Cb 0.48 -1.62 -0.02 0.00 -0.02 0.00 0.00 31.44 30.26 1fr0 n GLU 715 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1fr0 h GLY 716 N 0.80 -0.29 2.00 0.62 0.00 0.09 -2.57 103.07 103.72 1fr0 h GLY 716 Ca 0.00 0.11 -0.08 0.00 0.00 0.00 0.00 47.33 47.36 1fr0 h GLY 716 CO 0.00 -0.10 -0.37 1.12 0.00 0.00 0.00 176.54 177.18 1fr0 h HIS 717 N -0.57 0.00 0.43 5.60 2.07 -1.42 -2.24 115.15 119.02 1fr0 h HIS 717 Ca -0.03 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.47 1fr0 h HIS 717 Cb 0.21 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.20 1fr0 h HIS 717 CO 0.05 0.37 -0.21 -0.22 -3.07 0.00 0.00 177.93 174.85 1fr0 h LYS 718 N 0.00 -0.56 0.50 5.12 3.64 -1.32 0.11 116.57 124.06 1fr0 h LYS 718 Ca -0.00 0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.39 1fr0 h LYS 718 Cb 1.06 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 1fr0 h LYS 718 CO 0.05 -0.25 -0.24 0.82 -2.27 0.00 0.00 179.45 177.56 1fr0 h ILE 719 N -0.95 0.08 -0.13 2.00 5.03 -1.54 -2.78 117.51 119.22 1fr0 h ILE 719 Ca -0.06 -0.51 0.04 0.00 -0.12 0.00 0.00 64.86 64.20 1fr0 h ILE 719 Cb 0.57 0.13 -0.04 0.00 -3.03 0.00 0.00 36.82 34.45 1fr0 h ILE 719 CO 0.10 0.02 -0.10 0.11 -0.68 0.00 0.00 178.15 177.60 1fr0 h LYS 720 N -1.15 -0.11 -0.69 2.37 1.57 -1.55 -2.21 116.57 114.80 1fr0 h LYS 720 Ca -0.07 0.01 0.13 0.00 -1.87 0.00 0.00 60.65 58.85 1fr0 h LYS 720 Cb 0.55 0.02 -0.13 0.00 0.08 0.00 0.00 32.23 32.75 1fr0 h LYS 720 CO 0.11 -0.07 -0.28 0.78 -0.57 0.00 0.00 179.45 179.43 1fr0 h GLY 721 N -0.11 0.18 0.25 3.86 0.00 -0.87 -0.62 103.07 105.76 1fr0 h GLY 721 Ca 0.08 0.36 0.02 0.00 0.00 0.00 0.00 47.33 47.80 1fr0 h GLY 721 CO -0.20 -0.24 -0.41 0.00 0.00 0.00 0.00 176.54 175.69 1fr0 h ALA 722 N 1.34 -0.70 -0.97 3.60 0.00 -1.11 -1.06 119.26 120.36 1fr0 h ALA 722 Ca 0.30 -0.06 0.29 0.00 0.00 0.00 0.00 54.91 55.43 1fr0 h ALA 722 Cb 0.55 0.70 -0.14 0.00 0.00 0.00 0.00 17.79 18.90 1fr0 h ALA 722 CO -0.74 -0.97 0.49 0.00 0.00 0.00 0.00 179.25 178.03 1fr0 h ALA 723 N -0.11 1.77 0.00 0.00 0.00 -0.79 1.44 119.26 121.57 1fr0 h ALA 723 Ca 0.03 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1fr0 h ALA 723 Cb 0.66 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1fr0 h ALA 723 CO -0.26 -0.51 0.30 0.78 0.00 0.00 0.00 179.25 179.56 1fr0 h GLY 724 N 0.33 0.00 1.69 0.00 0.00 -0.37 0.22 103.07 104.95 1fr0 h GLY 724 Ca 0.68 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.86 1fr0 h GLY 724 CO -0.60 0.00 -0.61 0.23 0.00 0.00 0.00 176.54 175.55 1fr0 h SER 725 N 0.00 0.36 -0.04 0.19 0.87 0.20 -2.57 113.55 112.56 1fr0 h SER 725 Ca 0.00 -0.21 0.00 0.00 -1.23 0.00 0.00 61.79 60.35 1fr0 h SER 725 Cb 0.61 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.46 1fr0 h SER 725 CO 0.00 0.88 0.00 0.52 -0.53 0.00 0.00 176.83 177.70 1fr0 n VAL 726 N -3.88 0.05 0.00 2.23 0.31 0.76 -4.78 118.33 113.02 1fr0 n VAL 726 Ca -0.03 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 1fr0 n VAL 726 Cb 0.63 -0.06 0.00 0.00 -0.91 0.00 0.00 33.84 33.50 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 0.68 1.02 3.19 2.92 0.00 -0.97 -4.93 105.19 107.10 1fr0 n GLY 727 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 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 5.88 0.12 0.99 4.77 -0.80 -1.99 117.00 125.96 1fr0 n LEU 728 Ca 0.00 -4.58 -0.02 0.00 -0.03 0.00 0.00 56.01 51.38 1fr0 n LEU 728 Cb 0.00 -1.54 0.20 0.00 -2.33 0.00 0.00 43.42 39.74 1fr0 n LEU 728 CO 0.00 1.05 0.56 0.08 -1.33 0.00 0.00 177.39 177.75 1fr0 h ARG 729 N 6.47 0.13 -0.24 3.23 0.11 -1.67 -2.76 114.38 119.65 1fr0 h ARG 729 Ca 0.34 -0.07 0.06 0.00 0.10 0.00 0.00 59.98 60.41 1fr0 h ARG 729 Cb 0.76 0.01 -0.07 0.00 1.11 0.00 0.00 29.97 31.78 1fr0 h ARG 729 CO 1.40 0.62 -0.26 1.25 0.10 0.00 0.00 179.97 183.09 1fr0 h HIS 730 N 0.10 -0.70 -0.13 4.08 -0.00 -1.52 -1.15 115.15 115.83 1fr0 h HIS 730 Ca 0.00 0.04 -0.05 0.00 -0.00 0.00 0.00 60.37 60.36 1fr0 h HIS 730 Cb 0.96 0.34 -0.00 0.00 -0.00 0.00 0.00 27.41 28.71 1fr0 h HIS 730 CO 0.01 -0.34 -0.10 -0.07 -0.00 0.00 0.00 177.93 177.43 1fr0 h LEU 731 N -0.27 0.31 -0.69 0.26 3.38 -1.79 -2.83 115.31 113.67 1fr0 h LEU 731 Ca 0.13 -0.46 0.12 0.00 0.09 0.00 0.00 57.88 57.77 1fr0 h LEU 731 Cb 0.48 -0.09 -0.13 0.00 0.09 0.00 0.00 40.66 41.02 1fr0 h LEU 731 CO -0.39 0.70 -0.31 -0.61 0.09 0.00 0.00 178.44 177.92 1fr0 h GLN 732 N -0.08 -0.10 0.18 1.13 4.15 -1.15 -0.12 115.11 119.11 1fr0 h GLN 732 Ca 0.02 0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.45 1fr0 h GLN 732 Cb 0.60 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.31 1fr0 h GLN 732 CO 0.03 -0.06 -0.12 1.96 -1.93 0.00 0.00 178.83 178.70 1fr0 h GLN 733 N -0.10 -0.29 -0.77 1.69 1.08 -1.23 -2.45 115.11 113.04 1fr0 h GLN 733 Ca 0.28 0.02 0.10 0.00 -1.45 0.00 0.00 58.65 57.61 1fr0 h GLN 733 Cb 0.56 0.07 -0.12 0.00 -0.05 0.00 0.00 27.48 27.93 1fr0 h GLN 733 CO -0.75 -0.19 -0.46 -0.07 -0.95 0.00 0.00 178.83 176.41 1fr0 h LEU 734 N -0.30 -1.62 -0.49 1.46 4.07 -0.79 0.29 115.31 117.92 1fr0 h LEU 734 Ca -0.01 0.28 0.09 0.00 0.08 0.00 0.00 57.88 58.32 1fr0 h LEU 734 Cb 0.26 0.76 -0.07 0.00 1.08 0.00 0.00 40.66 42.68 1fr0 h LEU 734 CO 0.01 -0.30 0.07 1.23 -1.08 0.00 0.00 178.44 178.36 1fr0 h GLY 735 N -0.12 0.57 -0.59 0.83 0.00 -1.09 0.94 103.07 103.61 1fr0 h GLY 735 Ca 0.22 0.00 0.34 0.00 0.00 0.00 0.00 47.33 47.89 1fr0 h GLY 735 CO -0.82 -0.09 0.60 -1.61 0.00 0.00 0.00 176.54 174.62 1fr0 h GLN 736 N 0.19 0.28 0.00 4.80 4.15 0.04 1.03 115.11 125.60 1fr0 h GLN 736 Ca 0.25 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.65 1fr0 h GLN 736 Cb 0.35 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 27.98 1fr0 h GLN 736 CO -0.35 0.18 -0.79 1.96 -1.93 0.00 0.00 178.83 177.90 1fr0 h GLN 737 N 0.28 0.00 0.00 1.69 4.20 -0.49 -3.32 115.11 117.47 1fr0 h GLN 737 Ca 0.74 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 59.40 1fr0 h GLN 737 Cb 1.79 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.56 1fr0 h GLN 737 CO -0.59 0.00 -0.28 0.82 -0.67 0.00 0.00 178.83 178.12 1fr0 h ILE 738 N 0.00 1.18 -0.29 2.54 1.08 0.33 -2.27 117.51 120.08 1fr0 h ILE 738 Ca 0.00 -0.96 -0.08 0.00 -0.39 0.00 0.00 64.86 63.43 1fr0 h ILE 738 Cb 0.98 1.52 -0.05 0.00 -3.07 0.00 0.00 36.82 36.21 1fr0 h ILE 738 CO 0.00 0.27 0.10 0.00 -0.69 0.00 0.00 178.15 177.83 1fr0 n GLN 739 N -4.18 2.15 -2.57 2.37 10.64 -0.89 -4.14 117.38 120.76 1fr0 n GLN 739 Ca -0.02 -1.23 -0.18 0.00 -1.83 0.00 0.00 57.00 53.74 1fr0 n GLN 739 Cb 0.33 -1.68 0.02 0.00 -0.86 0.00 0.00 30.24 28.05 1fr0 n GLN 739 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 1fr0 n SER 740 N 0.09 3.04 -2.45 2.61 7.64 -0.85 -4.94 113.62 118.77 1fr0 n SER 740 Ca 0.16 -3.19 -0.06 0.00 1.01 0.00 0.00 58.87 56.79 1fr0 n SER 740 Cb 0.76 -0.49 -0.05 0.00 -1.01 0.00 0.00 64.21 63.41 1fr0 n SER 740 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1fr0 n PRO 741 N -0.27 0.83 0.00 1.43 -0.04 -1.26 -2.82 135.00 132.86 1fr0 n PRO 741 Ca 0.24 -0.49 0.00 0.00 -0.04 0.00 0.00 63.50 63.21 1fr0 n PRO 741 Cb 0.75 -1.78 0.00 0.00 -0.04 0.00 0.00 33.50 32.43 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 3.09 1.84 -4.76 3.54 8.00 -1.26 -4.97 116.55 122.03 1fr0 n ASP 742 Ca 0.18 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.27 1fr0 n ASP 742 Cb 0.29 0.36 -0.03 0.00 -0.02 0.00 0.00 41.12 41.72 1fr0 n ASP 742 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1fr0 s LEU 743 N -1.17 4.48 0.17 0.64 1.02 -1.13 -4.88 118.68 117.82 1fr0 s LEU 743 Ca 0.00 2.42 0.19 0.00 0.02 0.00 0.00 54.13 56.75 1fr0 s LEU 743 Cb 0.00 -3.63 0.83 0.00 0.02 0.00 0.00 46.19 43.41 1fr0 s LEU 743 CO 0.00 -0.35 1.58 -0.81 0.02 0.00 0.00 176.35 176.79 1fr0 n PRO 744 N 1.44 0.12 -0.02 1.29 -0.04 -1.26 -1.95 135.00 134.58 1fr0 n PRO 744 Ca 0.01 0.40 0.08 0.00 -0.04 0.00 0.00 63.50 63.95 1fr0 n PRO 744 Cb 0.44 -1.74 -0.17 0.00 -0.04 0.00 0.00 33.50 31.98 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 -1.67 2.65 0.10 0.55 0.00 -1.26 -4.20 120.51 116.68 1fr0 n ALA 745 Ca 0.02 -0.61 -0.17 0.00 0.00 0.00 0.00 53.44 52.68 1fr0 n ALA 745 Cb 0.17 -0.68 -0.12 0.00 0.00 0.00 0.00 19.45 18.82 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 0.63 0.00 0.00 7.01 -1.74 -1.89 115.95 119.95 1fr0 h TRP 746 Ca -0.06 -0.43 0.00 0.00 2.11 0.00 0.00 58.89 60.50 1fr0 h TRP 746 Cb 1.14 -0.04 0.00 0.00 -2.10 0.00 0.00 29.16 28.16 1fr0 h TRP 746 CO 0.00 1.32 0.00 -1.91 -2.79 0.00 0.00 178.44 175.06 1fr0 n GLU 747 N -3.62 0.40 -0.00 2.65 0.00 -1.01 -1.23 120.64 117.83 1fr0 n GLU 747 Ca -0.10 0.06 0.03 0.00 0.00 0.00 0.00 57.16 57.15 1fr0 n GLU 747 Cb 1.00 -1.50 -0.04 0.00 0.00 0.00 0.00 31.44 30.90 1fr0 n GLU 747 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1fr0 n ASP 748 N -1.23 3.72 -0.03 4.31 8.00 -1.19 -4.60 116.55 125.54 1fr0 n ASP 748 Ca 0.12 0.00 0.07 0.00 0.71 0.00 0.00 54.79 55.69 1fr0 n ASP 748 Cb 0.16 1.25 -0.08 0.00 -0.02 0.00 0.00 41.12 42.43 1fr0 n ASP 748 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1fr0 n ASN 749 N -1.70 0.78 -0.19 -2.24 0.23 -0.72 -4.52 115.26 106.91 1fr0 n ASN 749 Ca -0.01 -0.89 0.00 0.00 -0.53 0.00 0.00 54.58 53.15 1fr0 n ASN 749 Cb 0.15 0.96 0.09 0.00 -2.08 0.00 0.00 39.78 38.90 1fr0 n ASN 749 CO 0.00 0.00 0.00 0.58 -0.93 0.00 0.00 177.26 176.91 1fr0 h VAL 750 N 0.15 0.55 -0.61 3.53 2.07 -1.40 -0.38 116.25 120.16 1fr0 h VAL 750 Ca 0.00 -0.05 0.08 0.00 0.82 0.00 0.00 66.70 67.55 1fr0 h VAL 750 Cb 0.37 0.40 -0.10 0.00 -1.52 0.00 0.00 31.29 30.43 1fr0 h VAL 750 CO 0.00 0.03 -0.48 1.23 0.02 0.00 0.00 177.57 178.36 1fr0 h GLY 751 N 0.14 -0.62 2.00 2.17 0.00 -1.85 0.76 103.07 105.67 1fr0 h GLY 751 Ca 0.30 0.63 -0.01 0.00 0.00 0.00 0.00 47.33 48.25 1fr0 h GLY 751 CO -0.47 -0.12 -0.05 -2.09 0.00 0.00 0.00 176.54 173.80 1fr0 h GLU 752 N -0.23 0.00 0.08 4.80 4.81 -1.65 -2.54 114.58 119.84 1fr0 h GLU 752 Ca 0.16 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.39 1fr0 h GLU 752 Cb 0.55 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.93 1fr0 h GLU 752 CO -0.72 0.05 -0.04 2.35 -0.73 0.00 0.00 179.01 179.93 1fr0 h TRP 753 N 0.00 -0.10 -0.06 0.92 2.91 0.22 0.14 115.95 119.98 1fr0 h TRP 753 Ca -0.00 -0.00 -0.13 0.00 1.13 0.00 0.00 58.89 59.89 1fr0 h TRP 753 Cb 0.44 0.03 0.01 0.00 -0.51 0.00 0.00 29.16 29.13 1fr0 h TRP 753 CO 0.00 0.01 -0.46 0.82 -1.03 0.00 0.00 178.44 177.78 1fr0 h ILE 754 N -0.19 1.41 -0.29 2.65 1.08 -1.30 -0.65 117.51 120.22 1fr0 h ILE 754 Ca -0.01 -1.87 0.05 0.00 -0.39 0.00 0.00 64.86 62.64 1fr0 h ILE 754 Cb 0.16 2.37 -0.05 0.00 -3.07 0.00 0.00 36.82 36.23 1fr0 h ILE 754 CO 0.02 0.55 -0.01 -0.33 -0.69 0.00 0.00 178.15 177.68 1fr0 h GLU 755 N -0.05 0.07 0.22 2.37 4.39 -1.43 0.01 114.58 120.15 1fr0 h GLU 755 Ca -0.04 -0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.64 1fr0 h GLU 755 Cb 1.13 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.77 1fr0 h GLU 755 CO 0.09 0.05 -0.10 1.49 -1.16 0.00 0.00 179.01 179.38 1fr0 h GLU 756 N 0.07 -0.28 -0.50 2.33 4.81 -0.76 -2.78 114.58 117.47 1fr0 h GLU 756 Ca 0.14 0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.46 1fr0 h GLU 756 Cb 0.19 0.06 -0.10 0.00 0.63 0.00 0.00 28.75 29.54 1fr0 h GLU 756 CO -0.24 0.04 -0.47 1.98 -0.73 0.00 0.00 179.01 179.59 1fr0 h MET 757 N -0.62 -0.28 -0.35 1.92 4.05 -0.84 -1.27 114.93 117.53 1fr0 h MET 757 Ca -0.03 0.02 0.04 0.00 -0.28 0.00 0.00 59.70 59.45 1fr0 h MET 757 Cb 0.45 0.06 -0.07 0.00 -0.80 0.00 0.00 31.60 31.24 1fr0 h MET 757 CO 0.05 -0.19 -0.49 0.87 0.23 0.00 0.00 176.91 177.38 1fr0 h LYS 758 N -0.29 -0.35 -2.85 0.39 1.79 -1.00 0.22 116.57 114.47 1fr0 h LYS 758 Ca 0.14 0.02 -0.61 0.00 -2.18 0.00 0.00 60.65 58.03 1fr0 h LYS 758 Cb 0.57 0.08 0.01 0.00 -1.58 0.00 0.00 32.23 31.32 1fr0 h LYS 758 CO -0.64 -0.23 3.25 0.39 -1.08 0.00 0.00 179.45 181.13 1fr0 n GLU 759 N -5.06 3.50 0.00 3.15 -0.58 -0.50 -3.74 120.64 117.40 1fr0 n GLU 759 Ca -0.03 -2.07 0.00 0.00 -0.42 0.00 0.00 57.16 54.64 1fr0 n GLU 759 Cb 0.30 -2.69 0.00 0.00 -0.57 0.00 0.00 31.44 28.49 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 3.38 0.00 -0.14 3.49 0.00 -0.56 -4.90 120.64 121.90 1fr0 n GLU 760 Ca 0.74 0.00 -0.03 0.00 0.00 0.00 0.00 57.16 57.87 1fr0 n GLU 760 Cb 0.32 0.00 0.05 0.00 0.00 0.00 0.00 31.44 31.81 1fr0 n GLU 760 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.13 177.24 1fr0 h TRP 761 N 0.00 -0.02 -0.18 4.31 5.08 -0.70 -2.45 115.95 122.00 1fr0 h TRP 761 Ca 0.00 0.03 0.03 0.00 1.08 0.00 0.00 58.89 60.04 1fr0 h TRP 761 Cb 0.00 0.08 -0.06 0.00 -3.00 0.00 0.00 29.16 26.18 1fr0 h TRP 761 CO 0.00 -0.09 -0.51 -0.09 -1.28 0.00 0.00 178.44 176.46 1fr0 h ARG 762 N 0.12 -0.49 -0.68 0.12 2.43 -1.81 -1.90 114.38 112.16 1fr0 h ARG 762 Ca 0.23 0.03 0.07 0.00 -0.81 0.00 0.00 59.98 59.51 1fr0 h ARG 762 Cb 0.34 0.11 -0.10 0.00 -0.42 0.00 0.00 29.97 29.90 1fr0 h ARG 762 CO -0.38 -0.33 -0.54 1.25 -1.51 0.00 0.00 179.97 178.46 1fr0 h HIS 763 N -0.51 -1.69 -0.98 2.20 2.76 -1.81 0.45 115.15 115.57 1fr0 h HIS 763 Ca 0.04 0.10 0.31 0.00 -2.20 0.00 0.00 60.37 58.62 1fr0 h HIS 763 Cb 0.62 0.83 -0.17 0.00 1.55 0.00 0.00 27.41 30.23 1fr0 h HIS 763 CO -0.61 -0.43 0.23 -0.44 -1.30 0.00 0.00 177.93 175.38 1fr0 h ASP 764 N -0.21 -0.13 -0.17 3.26 5.19 -1.04 0.55 116.42 123.87 1fr0 h ASP 764 Ca 0.13 0.26 -0.05 0.00 -0.62 0.00 0.00 57.03 56.75 1fr0 h ASP 764 Cb 0.52 0.37 -0.00 0.00 0.18 0.00 0.00 39.33 40.40 1fr0 h ASP 764 CO -0.75 -0.34 -0.11 0.58 -3.12 0.00 0.00 179.24 175.50 1fr0 h VAL 765 N 0.05 1.32 0.11 -1.35 2.07 0.32 -0.46 116.25 118.31 1fr0 h VAL 765 Ca 0.67 -1.19 0.01 0.00 0.82 0.00 0.00 66.70 67.01 1fr0 h VAL 765 Cb 1.54 1.75 -0.05 0.00 -1.52 0.00 0.00 31.29 33.00 1fr0 h VAL 765 CO -0.82 0.35 -0.53 -0.08 0.02 0.00 0.00 177.57 176.51 1fr0 h GLU 766 N 0.03 -0.72 -0.36 1.57 4.22 0.18 -1.43 114.58 118.07 1fr0 h GLU 766 Ca 0.03 0.05 0.04 0.00 0.08 0.00 0.00 59.36 59.56 1fr0 h GLU 766 Cb 0.60 0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.98 1fr0 h GLU 766 CO 0.03 -0.48 0.13 0.28 -2.18 0.00 0.00 179.01 176.79 1fr0 h VAL 767 N -0.75 0.91 -0.85 0.32 2.07 -1.21 -2.34 116.25 114.40 1fr0 h VAL 767 Ca -0.00 -0.10 0.14 0.00 0.82 0.00 0.00 66.70 67.56 1fr0 h VAL 767 Cb 0.76 0.59 -0.15 0.00 -1.52 0.00 0.00 31.29 30.98 1fr0 h VAL 767 CO -0.29 0.05 -0.34 0.25 0.02 0.00 0.00 177.57 177.25 1fr0 h LEU 768 N 0.29 -1.25 -0.40 2.57 5.85 -0.29 0.44 115.31 122.51 1fr0 h LEU 768 Ca 0.16 0.28 0.04 0.00 0.84 0.00 0.00 57.88 59.20 1fr0 h LEU 768 Cb 0.13 0.67 -0.04 0.00 0.37 0.00 0.00 40.66 41.79 1fr0 h LEU 768 CO -0.16 -0.29 0.16 0.50 -0.34 0.00 0.00 178.44 178.30 1fr0 h LYS 769 N -0.05 0.32 0.10 1.25 1.63 -0.75 -2.52 116.57 116.55 1fr0 h LYS 769 Ca 0.32 -0.02 0.01 0.00 -0.85 0.00 0.00 60.65 60.12 1fr0 h LYS 769 Cb 0.59 -0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 32.13 1fr0 h LYS 769 CO -0.88 0.21 -0.16 0.00 -3.45 0.00 0.00 179.45 175.17 1fr0 h ALA 770 N 1.25 -0.27 -0.90 5.00 0.00 0.04 -2.05 119.26 122.32 1fr0 h ALA 770 Ca 0.18 -0.03 0.23 0.00 0.00 0.00 0.00 54.91 55.30 1fr0 h ALA 770 Cb 0.15 0.24 -0.13 0.00 0.00 0.00 0.00 17.79 18.05 1fr0 h ALA 770 CO -0.17 -0.68 0.38 2.35 0.00 0.00 0.00 179.25 181.13 1fr0 h TRP 771 N -0.32 0.62 -0.34 0.00 7.01 -0.39 0.62 115.95 123.15 1fr0 h TRP 771 Ca 0.02 0.04 -0.05 0.00 2.11 0.00 0.00 58.89 61.01 1fr0 h TRP 771 Cb 0.33 -0.13 -0.02 0.00 -2.10 0.00 0.00 29.16 27.24 1fr0 h TRP 771 CO -0.16 -0.09 -0.01 0.28 -2.79 0.00 0.00 178.44 175.67 1fr0 h VAL 772 N 0.36 1.20 0.00 2.65 2.07 -0.98 1.35 116.25 122.91 1fr0 h VAL 772 Ca 0.58 -0.81 0.00 0.00 0.82 0.00 0.00 66.70 67.28 1fr0 h VAL 772 Cb 1.13 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 31.86 1fr0 h VAL 772 CO -0.56 0.28 -0.01 0.00 0.02 0.00 0.00 177.57 177.30 1fr0 n ALA 773 N -2.48 2.31 0.16 1.67 0.00 0.20 -3.64 120.51 118.73 1fr0 n ALA 773 Ca 0.01 -0.05 0.02 0.00 0.00 0.00 0.00 53.44 53.43 1fr0 n ALA 773 Cb 0.25 -1.47 -0.03 0.00 0.00 0.00 0.00 19.45 18.21 1fr0 n ALA 773 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1fr0 n LYS 774 N -2.02 3.90 0.00 0.00 3.00 -0.08 -4.70 118.16 118.26 1fr0 n LYS 774 Ca 0.06 -0.01 0.00 0.00 -0.00 0.00 0.00 58.31 58.36 1fr0 n LYS 774 Cb 0.40 -0.84 0.00 0.00 0.00 0.00 0.00 35.03 34.60 1fr0 n LYS 774 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1fr0 n ALA 775 N -1.27 0.00 -1.29 3.14 0.00 0.46 -4.05 120.51 117.50 1fr0 n ALA 775 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.07 1fr0 n ALA 775 Cb 0.09 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.52 1fr0 n ALA 775 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1fr0 n THR 776 N 0.00 3.31 -2.49 0.00 5.66 -1.26 -4.91 114.28 114.59 1fr0 n THR 776 Ca 0.00 -2.32 -0.23 0.00 -3.05 0.00 0.00 64.05 58.45 1fr0 n THR 776 Cb 0.00 -2.47 0.06 0.00 -1.55 0.00 0.00 70.33 66.37 1fr0 n THR 776 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 175.07 171.27 1fr0 s LYS 777 N 3.14 2.29 0.00 1.09 2.20 -1.26 -5.06 119.74 122.15 1fr0 s LYS 777 Ca 0.55 -0.66 0.00 0.00 -0.36 0.00 0.00 55.97 55.50 1fr0 s LYS 777 Cb 0.15 -2.36 0.00 0.00 -1.51 0.00 0.00 37.83 34.11 1fr0 s LYS 777 CO -0.04 -1.00 0.00 1.63 -0.36 0.00 0.00 175.35 175.59