#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 4.54 0.00 12.58 -1.32 -1.26 -4.87 115.64 125.30 1fr0 s THR 655 Ca 0.00 1.00 0.00 0.00 -1.21 0.00 0.00 61.69 61.48 1fr0 s THR 655 Cb 0.00 -3.75 0.00 0.00 -1.51 0.00 0.00 72.50 67.24 1fr0 s THR 655 CO 0.00 -0.90 0.00 1.21 -2.21 0.00 0.00 174.62 172.72 1fr0 n GLU 656 N -2.26 0.00 0.14 7.08 2.13 -1.26 -4.92 120.64 121.55 1fr0 n GLU 656 Ca 0.06 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.88 1fr0 n GLU 656 Cb 0.54 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.25 1fr0 n GLU 656 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1fr0 n GLU 657 N -0.51 0.00 -3.91 5.31 0.00 -1.26 -5.16 120.64 115.12 1fr0 n GLU 657 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 57.16 57.07 1fr0 n GLU 657 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 31.44 31.37 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 -3.28 0.05 -0.94 4.31 2.20 -1.26 -5.06 114.94 110.96 1fr0 s ASN 658 Ca 0.00 -0.77 -0.02 0.00 -0.94 0.00 0.00 52.86 51.13 1fr0 s ASN 658 Cb 0.00 0.41 0.31 0.00 -2.00 0.00 0.00 41.25 39.97 1fr0 s ASN 658 CO 0.00 -0.84 2.00 -1.20 -2.94 0.00 0.00 177.10 174.12 1fr0 n SER 659 N -0.17 7.43 0.21 3.54 7.64 -1.26 -4.80 113.62 126.22 1fr0 n SER 659 Ca -0.10 -3.70 -0.13 0.00 1.01 0.00 0.00 58.87 55.95 1fr0 n SER 659 Cb 0.63 -1.14 -0.07 0.00 -1.01 0.00 0.00 64.21 62.61 1fr0 n SER 659 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1fr0 h LYS 660 N 3.65 -0.71 0.00 1.43 3.64 -1.99 -0.28 116.57 122.31 1fr0 h LYS 660 Ca 0.55 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.98 1fr0 h LYS 660 Cb 0.21 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 1fr0 h LYS 660 CO 1.29 -0.47 0.00 0.45 -2.27 0.00 0.00 179.45 178.45 1fr0 n SER 661 N -4.64 0.26 0.05 4.20 2.88 -1.26 -1.27 113.62 113.85 1fr0 n SER 661 Ca -0.09 0.62 -0.03 0.00 -1.33 0.00 0.00 58.87 58.04 1fr0 n SER 661 Cb 0.34 -0.65 -0.07 0.00 -0.75 0.00 0.00 64.21 63.07 1fr0 n SER 661 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1fr0 h GLU 662 N 0.00 0.00 -0.02 -1.46 3.07 -1.40 -3.32 114.58 111.46 1fr0 h GLU 662 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1fr0 h GLU 662 Cb 0.03 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.94 1fr0 h GLU 662 CO 0.00 0.53 -0.23 0.00 -1.40 0.00 0.00 179.01 177.91 1fr0 n ALA 663 N -2.37 2.98 0.01 3.43 0.00 -0.39 -4.34 120.51 119.82 1fr0 n ALA 663 Ca -0.06 -0.61 -0.06 0.00 0.00 0.00 0.00 53.44 52.71 1fr0 n ALA 663 Cb 0.88 -0.65 -0.12 0.00 0.00 0.00 0.00 19.45 19.56 1fr0 n ALA 663 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1fr0 h LEU 664 N 2.72 0.00 -8.25 0.00 3.38 -1.42 -3.33 115.31 108.41 1fr0 h LEU 664 Ca 0.00 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 1fr0 h LEU 664 Cb 0.69 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.30 1fr0 h LEU 664 CO 0.00 0.90 -0.57 -1.48 0.09 0.00 0.00 178.44 177.38 1fr0 s LEU 665 N -6.13 1.76 -0.39 1.67 0.05 -1.25 -2.15 118.68 112.25 1fr0 s LEU 665 Ca -0.03 -1.04 -0.29 0.00 0.05 0.00 0.00 54.13 52.82 1fr0 s LEU 665 Cb 0.08 0.52 0.02 0.00 -2.05 0.00 0.00 46.19 44.76 1fr0 s LEU 665 CO 0.82 -0.73 1.13 -0.62 -0.55 0.00 0.00 176.35 176.40 1fr0 s ASP 666 N -2.98 6.77 0.01 1.48 -1.08 -0.84 -4.75 116.67 115.28 1fr0 s ASP 666 Ca 0.17 0.82 -0.16 0.00 -0.52 0.00 0.00 52.55 52.86 1fr0 s ASP 666 Cb 0.07 -2.55 -0.35 0.00 -1.46 0.00 0.00 42.92 38.63 1fr0 s ASP 666 CO -0.03 -1.06 0.92 0.40 0.52 0.00 0.00 175.17 175.92 1fr0 h ILE 667 N 5.98 1.24 -0.07 4.11 1.08 -1.91 -2.55 117.51 125.38 1fr0 h ILE 667 Ca -0.22 -2.65 -0.22 0.00 -0.39 0.00 0.00 64.86 61.38 1fr0 h ILE 667 Cb 1.06 3.01 0.01 0.00 -3.07 0.00 0.00 36.82 37.83 1fr0 h ILE 667 CO 1.07 0.81 -0.85 1.55 -0.69 0.00 0.00 178.15 180.05 1fr0 h PRO 668 N 0.09 0.57 -0.03 2.37 0.13 -1.98 -2.58 132.00 130.57 1fr0 h PRO 668 Ca -0.27 -0.52 -0.02 0.00 -0.87 0.00 0.00 66.00 64.32 1fr0 h PRO 668 Cb 2.11 0.13 -0.00 0.00 0.13 0.00 0.00 31.00 33.37 1fr0 h PRO 668 CO 0.25 1.15 -0.05 1.98 -0.23 0.00 0.00 178.00 181.09 1fr0 h MET 669 N 0.37 0.09 0.15 0.86 4.05 -1.98 -2.49 114.93 115.99 1fr0 h MET 669 Ca -0.06 -0.06 0.02 0.00 -0.28 0.00 0.00 59.70 59.32 1fr0 h MET 669 Cb 1.46 0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 32.23 1fr0 h MET 669 CO 0.16 0.60 -0.40 -0.07 0.23 0.00 0.00 176.91 177.43 1fr0 h LEU 670 N -0.41 -1.18 -0.72 3.39 3.38 -1.53 0.23 115.31 118.48 1fr0 h LEU 670 Ca 0.00 0.13 0.16 0.00 0.09 0.00 0.00 57.88 58.26 1fr0 h LEU 670 Cb 0.59 0.44 -0.12 0.00 0.09 0.00 0.00 40.66 41.66 1fr0 h LEU 670 CO 0.01 -0.49 0.03 -0.08 0.09 0.00 0.00 178.44 178.00 1fr0 h GLU 671 N -0.66 0.12 0.36 1.13 4.81 -1.52 -0.70 114.58 118.13 1fr0 h GLU 671 Ca 0.02 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1fr0 h GLU 671 Cb 0.67 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.00 1fr0 h GLU 671 CO -0.21 0.08 -0.36 0.37 -0.73 0.00 0.00 179.01 178.15 1fr0 h GLN 672 N 0.13 -0.72 -0.64 1.92 4.15 -0.76 -2.29 115.11 116.89 1fr0 h GLN 672 Ca 0.39 0.05 0.12 0.00 0.77 0.00 0.00 58.65 59.98 1fr0 h GLN 672 Cb 0.68 0.16 -0.12 0.00 0.21 0.00 0.00 27.48 28.41 1fr0 h GLN 672 CO -0.61 -0.48 -0.27 1.88 -1.93 0.00 0.00 178.83 177.41 1fr0 h TYR 673 N -0.75 -0.72 -0.81 3.99 0.05 0.45 1.04 116.97 120.22 1fr0 h TYR 673 Ca -0.03 0.07 0.21 0.00 0.05 0.00 0.00 58.73 59.04 1fr0 h TYR 673 Cb 0.68 0.41 -0.04 0.00 1.01 0.00 0.00 36.73 38.78 1fr0 h TYR 673 CO -0.21 -0.35 0.56 -0.07 -1.05 0.00 0.00 178.16 177.04 1fr0 h LEU 674 N -0.10 0.16 -0.45 3.88 3.38 -0.90 0.63 115.31 121.91 1fr0 h LEU 674 Ca 0.28 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.26 1fr0 h LEU 674 Cb 0.54 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 1fr0 h LEU 674 CO -0.70 0.07 -0.01 -0.08 0.09 0.00 0.00 178.44 177.81 1fr0 h GLU 675 N 0.16 0.00 0.00 1.13 4.81 0.16 -2.16 114.58 118.68 1fr0 h GLU 675 Ca 0.40 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.63 1fr0 h GLU 675 Cb 1.33 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.71 1fr0 h GLU 675 CO -0.07 0.01 -0.02 1.28 -0.73 0.00 0.00 179.01 179.48 1fr0 n LEU 676 N -3.10 0.06 -0.19 1.64 4.77 0.21 -4.74 117.00 115.65 1fr0 n LEU 676 Ca 0.03 0.20 0.06 0.00 -0.03 0.00 0.00 56.01 56.27 1fr0 n LEU 676 Cb 0.46 -0.51 -0.03 0.00 -2.33 0.00 0.00 43.42 41.01 1fr0 n LEU 676 CO 0.32 -0.50 0.14 0.52 -1.33 0.00 0.00 177.39 176.54 1fr0 n VAL 677 N -2.38 0.00 -4.00 4.08 0.31 -0.55 -5.10 118.33 110.69 1fr0 n VAL 677 Ca -0.00 -0.30 0.00 0.00 -0.01 0.00 0.00 64.34 64.02 1fr0 n VAL 677 Cb 0.01 1.10 0.00 0.00 -0.91 0.00 0.00 33.84 34.04 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 1.13 -1.28 0.00 2.92 0.00 -0.81 -3.58 105.19 103.56 1fr0 n GLY 678 Ca 0.04 -1.27 0.13 0.00 0.00 0.00 0.00 46.02 44.92 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 0.64 0.10 1.61 -0.04 -1.26 -3.76 135.00 132.29 1fr0 n PRO 679 Ca 0.00 0.02 -0.13 0.00 -0.04 0.00 0.00 63.50 63.35 1fr0 n PRO 679 Cb 0.00 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 31.88 1fr0 n PRO 679 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1fr0 h LYS 680 N 0.00 -0.23 0.06 0.54 1.57 -1.97 -0.90 116.57 115.64 1fr0 h LYS 680 Ca 0.00 0.02 -0.27 0.00 -1.87 0.00 0.00 60.65 58.52 1fr0 h LYS 680 Cb 0.09 0.05 0.02 0.00 0.08 0.00 0.00 32.23 32.47 1fr0 h LYS 680 CO 0.00 0.05 -1.12 1.25 -0.57 0.00 0.00 179.45 179.06 1fr0 h LEU 681 N -0.50 0.77 -0.70 2.94 5.85 -1.76 -1.93 115.31 119.99 1fr0 h LEU 681 Ca -0.02 -0.67 -0.04 0.00 0.84 0.00 0.00 57.88 57.99 1fr0 h LEU 681 Cb 0.39 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 1fr0 h LEU 681 CO 0.04 1.48 0.30 0.40 -0.34 0.00 0.00 178.44 180.32 1fr0 h ILE 682 N 0.28 1.24 0.18 4.05 1.08 -1.66 0.44 117.51 123.12 1fr0 h ILE 682 Ca -0.14 -0.73 -0.01 0.00 -0.39 0.00 0.00 64.86 63.59 1fr0 h ILE 682 Cb 1.79 0.42 0.00 0.00 -3.07 0.00 0.00 36.82 35.96 1fr0 h ILE 682 CO 0.21 0.30 -0.08 0.74 -0.69 0.00 0.00 178.15 178.62 1fr0 h THR 683 N 0.98 0.38 0.13 -0.27 2.02 -1.22 -1.95 112.91 112.98 1fr0 h THR 683 Ca 0.23 -1.02 -0.01 0.00 0.77 0.00 0.00 66.41 66.39 1fr0 h THR 683 Cb 0.18 0.68 0.00 0.00 -1.74 0.00 0.00 68.15 67.27 1fr0 h THR 683 CO -0.02 0.11 -0.06 -0.78 0.37 0.00 0.00 175.52 175.14 1fr0 h ASP 684 N -1.01 -0.14 -0.28 4.18 3.58 -1.39 0.10 116.42 121.46 1fr0 h ASP 684 Ca -0.02 0.00 0.04 0.00 0.42 0.00 0.00 57.03 57.46 1fr0 h ASP 684 Cb 0.36 0.04 -0.03 0.00 1.72 0.00 0.00 39.33 41.42 1fr0 h ASP 684 CO 0.04 -0.10 0.07 1.23 -2.88 0.00 0.00 179.24 177.60 1fr0 h GLY 685 N -0.17 0.32 2.00 -0.78 0.00 -0.26 -0.65 103.07 103.53 1fr0 h GLY 685 Ca -0.02 -0.03 -0.03 0.00 0.00 0.00 0.00 47.33 47.25 1fr0 h GLY 685 CO 0.03 0.00 -0.14 -2.00 0.00 0.00 0.00 176.54 174.43 1fr0 h LEU 686 N 0.17 0.00 0.55 3.11 5.85 -1.13 -2.77 115.31 121.09 1fr0 h LEU 686 Ca 0.13 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.82 1fr0 h LEU 686 Cb 0.12 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.16 1fr0 h LEU 686 CO -0.16 0.14 -0.26 0.00 -0.34 0.00 0.00 178.44 177.82 1fr0 h ALA 687 N 1.86 -0.74 -0.31 1.25 0.00 0.76 -1.41 119.26 120.67 1fr0 h ALA 687 Ca -0.00 -0.20 0.06 0.00 0.00 0.00 0.00 54.91 54.78 1fr0 h ALA 687 Cb 0.31 0.28 -0.06 0.00 0.00 0.00 0.00 17.79 18.33 1fr0 h ALA 687 CO 0.02 -0.76 -0.09 0.28 0.00 0.00 0.00 179.25 178.69 1fr0 h VAL 688 N -1.03 0.66 -0.04 0.00 2.07 -1.33 0.17 116.25 116.75 1fr0 h VAL 688 Ca -0.08 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.46 1fr0 h VAL 688 Cb 0.63 0.66 -0.00 0.00 -1.52 0.00 0.00 31.29 31.06 1fr0 h VAL 688 CO 0.12 0.00 0.05 0.15 0.02 0.00 0.00 177.57 177.91 1fr0 h PHE 689 N -0.02 0.00 -0.00 1.57 3.04 -1.50 -0.86 116.94 119.16 1fr0 h PHE 689 Ca 0.15 0.00 -0.19 0.00 3.98 0.00 0.00 57.97 61.91 1fr0 h PHE 689 Cb 0.25 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 38.75 1fr0 h PHE 689 CO -0.30 0.00 -0.84 0.93 -2.02 0.00 0.00 178.31 176.08 1fr0 h GLU 690 N 0.00 0.17 -0.03 1.11 5.08 0.48 0.13 114.58 121.51 1fr0 h GLU 690 Ca 0.02 -0.18 -0.20 0.00 -1.00 0.00 0.00 59.36 58.01 1fr0 h GLU 690 Cb 0.11 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1fr0 h GLU 690 CO -0.00 0.91 -0.82 -0.22 -1.00 0.00 0.00 179.01 177.88 1fr0 h LYS 691 N 0.10 0.33 0.00 2.33 3.64 -0.44 -3.20 116.57 119.33 1fr0 h LYS 691 Ca -0.04 -0.31 0.00 0.00 -1.27 0.00 0.00 60.65 59.03 1fr0 h LYS 691 Cb 1.46 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.35 1fr0 h LYS 691 CO 0.13 0.98 -0.92 -1.33 -2.27 0.00 0.00 179.45 176.04 1fr0 n MET 692 N -3.76 0.50 -0.24 1.90 2.81 -0.95 -4.23 117.12 113.16 1fr0 n MET 692 Ca -0.05 0.10 -0.01 0.00 -1.81 0.00 0.00 57.70 55.94 1fr0 n MET 692 Cb 0.76 -1.77 0.06 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 0.00 -0.05 -0.15 0.03 2.86 -0.73 0.25 114.93 117.14 1fr0 h MET 693 Ca 0.00 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.53 1fr0 h MET 693 Cb 0.92 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.58 1fr0 h MET 693 CO 0.00 -0.03 -0.42 -1.00 1.06 0.00 0.00 176.91 176.51 1fr0 h PRO 694 N -0.05 0.35 0.00 -0.22 0.13 -1.73 -2.44 132.00 128.03 1fr0 h PRO 694 Ca 0.31 -0.17 -0.05 0.00 -0.87 0.00 0.00 66.00 65.21 1fr0 h PRO 694 Cb 0.54 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.66 1fr0 h PRO 694 CO -0.73 0.71 -0.24 0.78 -0.23 0.00 0.00 178.00 178.29 1fr0 h GLY 695 N 1.18 0.00 0.11 1.56 0.00 -0.83 -2.45 103.07 102.65 1fr0 h GLY 695 Ca 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.35 1fr0 h GLY 695 CO 0.07 0.00 -0.05 -0.97 0.00 0.00 0.00 176.54 175.59 1fr0 h TYR 696 N 0.00 -0.14 -1.41 5.60 0.05 -0.29 -2.81 116.97 117.97 1fr0 h TYR 696 Ca -0.00 -0.00 0.43 0.00 0.05 0.00 0.00 58.73 59.20 1fr0 h TYR 696 Cb 0.47 0.05 -0.10 0.00 1.01 0.00 0.00 36.73 38.16 1fr0 h TYR 696 CO 0.00 -0.09 0.96 -0.39 -1.05 0.00 0.00 178.16 177.59 1fr0 h VAL 697 N -0.36 0.19 0.76 -2.88 -1.51 -1.52 0.18 116.25 111.11 1fr0 h VAL 697 Ca -0.02 -0.03 -0.04 0.00 -1.23 0.00 0.00 66.70 65.39 1fr0 h VAL 697 Cb 0.12 0.10 0.01 0.00 -2.13 0.00 0.00 31.29 29.38 1fr0 h VAL 697 CO 0.03 0.02 -0.36 -1.28 -1.23 0.00 0.00 177.57 174.74 1fr0 h SER 698 N 0.09 -0.86 0.03 4.19 0.87 -1.45 -2.36 113.55 114.05 1fr0 h SER 698 Ca 0.78 0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 61.37 1fr0 h SER 698 Cb 2.66 0.22 -0.00 0.00 -0.44 0.00 0.00 62.40 64.84 1fr0 h SER 698 CO -0.25 -0.54 -0.00 0.58 -0.53 0.00 0.00 176.83 176.09 1fr0 h VAL 699 N -1.16 0.00 -0.05 2.23 2.07 -0.60 -2.14 116.25 116.60 1fr0 h VAL 699 Ca -0.10 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 1fr0 h VAL 699 Cb 0.78 1.01 -0.00 0.00 -1.52 0.00 0.00 31.29 31.56 1fr0 h VAL 699 CO 0.17 0.00 0.00 0.25 0.02 0.00 0.00 177.57 178.01 1fr0 h LEU 700 N 0.00 0.08 -0.56 2.57 5.85 -0.27 -2.60 115.31 120.37 1fr0 h LEU 700 Ca -0.00 -0.28 -0.10 0.00 0.84 0.00 0.00 57.88 58.34 1fr0 h LEU 700 Cb 0.01 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 1fr0 h LEU 700 CO 0.00 0.34 -0.03 -0.08 -0.34 0.00 0.00 178.44 178.33 1fr0 h GLU 701 N -0.19 1.02 -0.59 1.25 4.22 -0.98 -2.68 114.58 116.63 1fr0 h GLU 701 Ca 0.01 -0.34 0.10 0.00 0.08 0.00 0.00 59.36 59.22 1fr0 h GLU 701 Cb 0.30 -0.08 -0.08 0.00 0.50 0.00 0.00 28.75 29.39 1fr0 h GLU 701 CO 0.00 1.02 0.15 1.03 -2.18 0.00 0.00 179.01 179.04 1fr0 h SER 702 N 0.90 0.07 0.10 1.04 0.87 -1.42 -2.05 113.55 113.06 1fr0 h SER 702 Ca 0.16 0.10 -0.00 0.00 -1.23 0.00 0.00 61.79 60.81 1fr0 h SER 702 Cb 0.59 0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.67 1fr0 h SER 702 CO 0.03 0.05 -0.05 0.78 -0.53 0.00 0.00 176.83 177.12 1fr0 h ASN 703 N 0.30 -0.11 -0.76 6.23 4.21 -1.31 -2.43 115.58 121.70 1fr0 h ASN 703 Ca 0.30 -0.17 0.16 0.00 1.21 0.00 0.00 56.30 57.80 1fr0 h ASN 703 Cb 0.42 0.03 -0.14 0.00 -1.12 0.00 0.00 38.32 37.51 1fr0 h ASN 703 CO -0.36 0.11 -0.11 0.25 -1.29 0.00 0.00 177.43 176.03 1fr0 h LEU 704 N -0.33 -0.57 -1.52 1.61 5.85 -1.07 1.44 115.31 120.72 1fr0 h LEU 704 Ca -0.01 0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.92 1fr0 h LEU 704 Cb 0.28 0.43 0.00 0.00 0.37 0.00 0.00 40.66 41.73 1fr0 h LEU 704 CO 0.02 -0.23 0.00 0.74 -0.34 0.00 0.00 178.44 178.63 1fr0 h THR 705 N 0.03 0.00 -0.64 1.05 2.02 -1.26 -2.09 112.91 112.03 1fr0 h THR 705 Ca 0.39 -0.36 0.00 0.00 0.77 0.00 0.00 66.41 67.21 1fr0 h THR 705 Cb 0.64 1.29 0.00 0.00 -1.74 0.00 0.00 68.15 68.34 1fr0 h THR 705 CO -0.74 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.15 1fr0 n ALA 706 N -2.01 3.08 -3.70 6.16 0.00 0.48 -4.93 120.51 119.59 1fr0 n ALA 706 Ca 0.00 -1.53 -0.23 0.00 0.00 0.00 0.00 53.44 51.68 1fr0 n ALA 706 Cb 0.25 -1.03 0.05 0.00 0.00 0.00 0.00 19.45 18.71 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 1.12 -5.78 -2.44 0.00 3.00 -0.42 -4.89 117.38 107.96 1fr0 n GLN 707 Ca 0.25 0.68 -0.38 0.00 -0.01 0.00 0.00 57.00 57.54 1fr0 n GLN 707 Cb 0.87 -5.47 0.02 0.00 0.00 0.00 0.00 30.24 25.66 1fr0 n GLN 707 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 1fr0 n ASP 708 N -3.00 6.83 -0.03 1.08 9.92 -0.89 -4.83 116.55 125.63 1fr0 n ASP 708 Ca -0.16 -3.74 -0.12 0.00 -0.53 0.00 0.00 54.79 50.24 1fr0 n ASP 708 Cb 0.62 -1.00 -0.06 0.00 -0.64 0.00 0.00 41.12 40.04 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 3.54 -0.44 -0.71 -1.24 1.57 -1.90 0.77 116.57 118.16 1fr0 h LYS 709 Ca 0.48 0.03 0.15 0.00 -1.87 0.00 0.00 60.65 59.44 1fr0 h LYS 709 Cb 0.30 0.10 -0.13 0.00 0.08 0.00 0.00 32.23 32.58 1fr0 h LYS 709 CO 1.19 -0.29 -0.12 -0.22 -0.57 0.00 0.00 179.45 179.44 1fr0 h LYS 710 N -0.45 0.03 0.50 3.15 3.64 -2.00 0.14 116.57 121.58 1fr0 h LYS 710 Ca 0.09 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.44 1fr0 h LYS 710 Cb 0.62 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 1fr0 h LYS 710 CO -0.44 0.02 -0.24 0.78 -2.27 0.00 0.00 179.45 177.30 1fr0 h GLY 711 N 0.03 -0.70 -0.23 5.01 0.00 -1.63 -2.20 103.07 103.35 1fr0 h GLY 711 Ca 0.36 0.26 0.15 0.00 0.00 0.00 0.00 47.33 48.10 1fr0 h GLY 711 CO -0.70 -0.25 -0.00 -2.22 0.00 0.00 0.00 176.54 173.37 1fr0 h ILE 712 N -0.82 0.40 0.49 2.60 2.04 0.08 -1.55 117.51 120.75 1fr0 h ILE 712 Ca -0.07 -0.04 -0.02 0.00 1.00 0.00 0.00 64.86 65.73 1fr0 h ILE 712 Cb 0.58 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 36.94 1fr0 h ILE 712 CO 0.11 0.02 -0.27 0.58 0.00 0.00 0.00 178.15 178.59 1fr0 h VAL 713 N 0.11 0.00 -0.38 1.67 2.07 -0.89 -0.30 116.25 118.53 1fr0 h VAL 713 Ca 0.37 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.93 1fr0 h VAL 713 Cb 0.63 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.35 1fr0 h VAL 713 CO -0.61 0.00 -0.30 -0.33 0.02 0.00 0.00 177.57 176.35 1fr0 h GLU 714 N -0.71 -0.09 0.00 1.57 5.08 -0.93 1.83 114.58 121.33 1fr0 h GLU 714 Ca -0.07 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1fr0 h GLU 714 Cb 0.56 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1fr0 h GLU 714 CO 0.08 -0.06 0.26 0.93 -1.00 0.00 0.00 179.01 179.23 1fr0 h GLU 715 N -0.10 0.00 0.00 2.33 5.08 -1.32 0.15 114.58 120.73 1fr0 h GLU 715 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1fr0 h GLU 715 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1fr0 h GLU 715 CO -0.41 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.01 1fr0 n GLY 716 N -1.22 -1.10 0.25 -3.84 0.00 0.62 -1.66 105.19 98.23 1fr0 n GLY 716 Ca -0.02 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.17 1fr0 n GLY 716 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 1fr0 h HIS 717 N 0.00 0.00 0.19 1.61 2.07 -1.21 -1.83 115.15 115.98 1fr0 h HIS 717 Ca 0.00 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.51 1fr0 h HIS 717 Cb 0.00 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.98 1fr0 h HIS 717 CO 0.07 0.00 -0.09 -0.22 -3.07 0.00 0.00 177.93 174.62 1fr0 h LYS 718 N 0.00 -0.24 0.52 5.12 3.64 -0.80 -1.39 116.57 123.41 1fr0 h LYS 718 Ca 0.00 0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.37 1fr0 h LYS 718 Cb 0.36 0.06 0.01 0.00 -0.41 0.00 0.00 32.23 32.24 1fr0 h LYS 718 CO 0.00 0.08 -0.25 0.82 -2.27 0.00 0.00 179.45 177.83 1fr0 h ILE 719 N -0.98 0.00 -0.93 2.00 5.03 -1.27 -2.52 117.51 118.84 1fr0 h ILE 719 Ca -0.03 -0.40 0.17 0.00 -0.12 0.00 0.00 64.86 64.49 1fr0 h ILE 719 Cb 0.43 0.00 -0.08 0.00 -3.03 0.00 0.00 36.82 34.14 1fr0 h ILE 719 CO 0.04 0.00 0.60 0.11 -0.68 0.00 0.00 178.15 178.22 1fr0 h LYS 720 N -1.09 0.63 -0.80 2.37 6.56 -1.49 0.10 116.57 122.85 1fr0 h LYS 720 Ca -0.07 -0.04 0.03 0.00 -1.06 0.00 0.00 60.65 59.51 1fr0 h LYS 720 Cb 0.53 -0.14 -0.05 0.00 -0.57 0.00 0.00 32.23 32.00 1fr0 h LYS 720 CO 0.12 0.41 0.52 0.78 -2.06 0.00 0.00 179.45 179.22 1fr0 h GLY 721 N 0.65 1.15 0.44 3.86 0.00 -1.22 -0.62 103.07 107.32 1fr0 h GLY 721 Ca 0.49 -0.40 -0.01 0.00 0.00 0.00 0.00 47.33 47.42 1fr0 h GLY 721 CO -0.24 0.35 -0.06 0.00 0.00 0.00 0.00 176.54 176.59 1fr0 h ALA 722 N 1.32 -0.17 -0.98 3.60 0.00 -0.40 -3.21 119.26 119.43 1fr0 h ALA 722 Ca 0.31 -0.24 0.18 0.00 0.00 0.00 0.00 54.91 55.17 1fr0 h ALA 722 Cb -0.02 0.06 -0.11 0.00 0.00 0.00 0.00 17.79 17.72 1fr0 h ALA 722 CO -0.10 -0.31 0.58 0.00 0.00 0.00 0.00 179.25 179.42 1fr0 h ALA 723 N -0.01 1.61 -0.17 0.00 0.00 -1.05 0.44 119.26 120.08 1fr0 h ALA 723 Ca -0.02 0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.02 1fr0 h ALA 723 Cb 0.54 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1fr0 h ALA 723 CO 0.03 -0.06 0.27 0.78 0.00 0.00 0.00 179.25 180.27 1fr0 h GLY 724 N 0.74 0.00 1.88 0.00 0.00 -1.09 0.73 103.07 105.33 1fr0 h GLY 724 Ca 0.56 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.76 1fr0 h GLY 724 CO -0.38 0.00 -0.58 1.48 0.00 0.00 0.00 176.54 177.05 1fr0 h SER 725 N 0.00 0.13 0.13 0.19 4.64 -0.18 -2.58 113.55 115.88 1fr0 h SER 725 Ca 0.08 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1fr0 h SER 725 Cb 0.61 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 1fr0 h SER 725 CO -0.00 0.69 0.00 0.52 -0.87 0.00 0.00 176.83 177.17 1fr0 n VAL 726 N -3.87 0.00 0.00 0.95 0.31 0.22 -4.79 118.33 111.15 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 0.59 -0.50 0.00 0.00 -0.91 0.00 0.00 33.84 33.02 1fr0 n VAL 726 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1fr0 n GLY 727 N 1.05 1.26 2.98 2.92 0.00 -0.97 -4.91 105.19 107.51 1fr0 n GLY 727 Ca 0.22 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.81 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 6.42 0.28 0.99 4.77 -0.59 -1.98 117.00 126.89 1fr0 n LEU 728 Ca 0.00 -4.78 -0.15 0.00 -0.03 0.00 0.00 56.01 51.05 1fr0 n LEU 728 Cb 0.00 -1.44 -0.08 0.00 -2.33 0.00 0.00 43.42 39.57 1fr0 n LEU 728 CO 0.00 1.39 0.49 0.03 -1.33 0.00 0.00 177.39 177.97 1fr0 h ARG 729 N 5.84 -0.71 -1.00 3.23 3.08 -1.66 -2.71 114.38 120.46 1fr0 h ARG 729 Ca 0.33 0.05 0.38 0.00 0.07 0.00 0.00 59.98 60.81 1fr0 h ARG 729 Cb 0.66 0.16 -0.17 0.00 0.08 0.00 0.00 29.97 30.70 1fr0 h ARG 729 CO 1.50 -0.40 0.52 1.25 -1.07 0.00 0.00 179.97 181.76 1fr0 h HIS 730 N -1.00 0.81 0.38 3.04 2.76 -1.55 0.25 115.15 119.84 1fr0 h HIS 730 Ca -0.08 0.04 -0.02 0.00 -2.20 0.00 0.00 60.37 58.12 1fr0 h HIS 730 Cb 0.64 -0.19 0.00 0.00 1.55 0.00 0.00 27.41 29.41 1fr0 h HIS 730 CO 0.00 -0.37 -0.18 -0.07 -1.30 0.00 0.00 177.93 176.01 1fr0 h LEU 731 N 0.11 -0.43 -1.43 0.26 -0.00 -1.76 -2.65 115.31 109.41 1fr0 h LEU 731 Ca 0.79 -0.10 0.28 0.00 -0.00 0.00 0.00 57.88 58.85 1fr0 h LEU 731 Cb 1.98 0.11 -0.09 0.00 -0.00 0.00 0.00 40.66 42.66 1fr0 h LEU 731 CO -0.72 -0.14 0.69 -0.61 -0.00 0.00 0.00 178.44 177.66 1fr0 h GLN 732 N -0.73 0.33 0.72 1.13 4.15 -0.22 -1.82 115.11 118.66 1fr0 h GLN 732 Ca -0.05 -0.02 -0.04 0.00 0.77 0.00 0.00 58.65 59.31 1fr0 h GLN 732 Cb 0.51 -0.07 0.01 0.00 0.21 0.00 0.00 27.48 28.13 1fr0 h GLN 732 CO 0.09 0.22 -0.35 1.96 -1.93 0.00 0.00 178.83 178.81 1fr0 h GLN 733 N 0.34 -0.94 -1.05 1.69 1.08 -1.00 -0.01 115.11 115.22 1fr0 h GLN 733 Ca 0.60 0.06 0.37 0.00 -1.45 0.00 0.00 58.65 58.24 1fr0 h GLN 733 Cb 1.63 0.21 -0.16 0.00 -0.05 0.00 0.00 27.48 29.11 1fr0 h GLN 733 CO -0.27 -0.62 0.61 -0.07 -0.95 0.00 0.00 178.83 177.52 1fr0 h LEU 734 N -1.16 0.41 -0.03 1.46 4.07 -1.01 0.34 115.31 119.38 1fr0 h LEU 734 Ca -0.10 0.20 -0.03 0.00 0.08 0.00 0.00 57.88 58.04 1fr0 h LEU 734 Cb 0.74 0.18 0.00 0.00 1.08 0.00 0.00 40.66 42.66 1fr0 h LEU 734 CO 0.16 -0.24 -0.09 1.23 -1.08 0.00 0.00 178.44 178.42 1fr0 h GLY 735 N 0.18 0.12 0.37 0.83 0.00 -1.29 -2.20 103.07 101.08 1fr0 h GLY 735 Ca 0.79 -0.16 0.16 0.00 0.00 0.00 0.00 47.33 48.12 1fr0 h GLY 735 CO -0.63 0.14 0.66 1.46 0.00 0.00 0.00 176.54 178.17 1fr0 h GLN 736 N -0.47 0.00 0.12 4.80 1.08 0.16 0.78 115.11 121.58 1fr0 h GLN 736 Ca -0.00 0.00 -0.33 0.00 -1.45 0.00 0.00 58.65 56.87 1fr0 h GLN 736 Cb 0.72 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.14 1fr0 h GLN 736 CO 0.02 0.00 -1.74 1.96 -0.95 0.00 0.00 178.83 178.12 1fr0 h GLN 737 N 0.00 0.26 0.00 1.46 7.50 -1.17 -3.32 115.11 119.84 1fr0 h GLN 737 Ca 0.27 -0.44 0.00 0.00 0.50 0.00 0.00 58.65 58.98 1fr0 h GLN 737 Cb 1.58 0.16 0.00 0.00 0.05 0.00 0.00 27.48 29.28 1fr0 h GLN 737 CO -0.00 1.21 0.04 0.82 -1.50 0.00 0.00 178.83 179.39 1fr0 h ILE 738 N -0.12 0.00 0.00 2.54 2.04 -0.22 0.77 117.51 122.52 1fr0 h ILE 738 Ca -0.37 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.49 1fr0 h ILE 738 Cb 1.91 0.73 0.00 0.00 -0.74 0.00 0.00 36.82 38.71 1fr0 h ILE 738 CO 0.07 0.00 0.00 1.67 0.00 0.00 0.00 178.15 179.89 1fr0 n GLN 739 N -2.67 0.60 -2.57 2.37 0.00 -0.82 -3.59 117.38 110.70 1fr0 n GLN 739 Ca -0.02 0.03 -0.29 0.00 -0.00 0.00 0.00 57.00 56.71 1fr0 n GLN 739 Cb 0.09 -1.50 -0.01 0.00 0.00 0.00 0.00 30.24 28.82 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 -1.11 5.13 -2.16 1.69 3.41 0.26 -4.89 113.62 115.95 1fr0 n SER 740 Ca 0.16 -3.72 -0.04 0.00 -0.26 0.00 0.00 58.87 55.01 1fr0 n SER 740 Cb 0.12 -0.60 -0.05 0.00 -0.26 0.00 0.00 64.21 63.41 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 -0.39 0.75 0.00 4.33 -0.04 -1.24 -2.83 135.00 135.58 1fr0 n PRO 741 Ca 0.39 -0.32 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 1fr0 n PRO 741 Cb 0.50 -1.61 0.00 0.00 -0.04 0.00 0.00 33.50 32.36 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 2.54 3.00 -4.75 3.54 -0.08 -1.26 -4.96 116.55 114.58 1fr0 n ASP 742 Ca 0.14 -0.03 -0.41 0.00 -1.51 0.00 0.00 54.79 52.98 1fr0 n ASP 742 Cb 0.35 0.66 -0.03 0.00 2.34 0.00 0.00 41.12 44.44 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 -1.92 4.43 0.41 -2.67 1.02 -1.13 -4.88 118.68 113.95 1fr0 s LEU 743 Ca 0.00 2.48 0.29 0.00 0.02 0.00 0.00 54.13 56.92 1fr0 s LEU 743 Cb 0.00 -3.62 1.25 0.00 0.02 0.00 0.00 46.19 43.84 1fr0 s LEU 743 CO 0.00 -0.49 1.87 1.55 0.02 0.00 0.00 176.35 179.29 1fr0 h PRO 744 N 4.65 0.00 0.00 1.29 0.13 -1.96 -2.29 132.00 133.81 1fr0 h PRO 744 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 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 0.73 0.00 -1.53 0.00 -0.23 0.00 0.00 178.00 176.97 1fr0 n ALA 745 N -1.93 3.65 0.13 -0.56 0.00 -1.26 -4.06 120.51 116.48 1fr0 n ALA 745 Ca 0.01 -0.55 -0.22 0.00 0.00 0.00 0.00 53.44 52.68 1fr0 n ALA 745 Cb 0.24 -0.77 -0.15 0.00 0.00 0.00 0.00 19.45 18.76 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 0.83 0.00 0.00 7.01 -1.78 -2.54 115.95 119.47 1fr0 h TRP 746 Ca 0.00 -0.60 0.00 0.00 2.11 0.00 0.00 58.89 60.40 1fr0 h TRP 746 Cb 0.78 -0.03 0.00 0.00 -2.10 0.00 0.00 29.16 27.81 1fr0 h TRP 746 CO 0.00 1.49 0.00 1.05 -2.79 0.00 0.00 178.44 178.19 1fr0 h GLU 747 N 0.12 0.00 0.07 2.65 -0.00 -1.70 0.17 114.58 115.90 1fr0 h GLU 747 Ca -0.23 0.00 -0.34 0.00 -0.00 0.00 0.00 59.36 58.79 1fr0 h GLU 747 Cb 2.11 0.00 -0.03 0.00 -0.00 0.00 0.00 28.75 30.83 1fr0 h GLU 747 CO 0.25 0.00 -1.89 -3.47 -0.00 0.00 0.00 179.01 173.90 1fr0 n ASP 748 N -2.87 1.61 -1.01 3.06 2.03 -1.23 -4.08 116.55 114.07 1fr0 n ASP 748 Ca 0.02 0.29 0.12 0.00 0.52 0.00 0.00 54.79 55.74 1fr0 n ASP 748 Cb 0.36 -0.53 0.19 0.00 -0.72 0.00 0.00 41.12 40.42 1fr0 n ASP 748 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 1fr0 n ASN 749 N -3.30 3.07 -0.15 1.67 0.23 -0.96 -4.40 115.26 111.42 1fr0 n ASN 749 Ca -0.26 -1.96 -0.05 0.00 -0.53 0.00 0.00 54.58 51.78 1fr0 n ASN 749 Cb 1.05 -0.12 0.04 0.00 -2.08 0.00 0.00 39.78 38.67 1fr0 n ASN 749 CO 0.00 0.00 0.00 1.62 -0.93 0.00 0.00 177.26 177.95 1fr0 h VAL 750 N 4.36 0.96 -0.78 3.53 3.04 -0.81 -1.47 116.25 125.09 1fr0 h VAL 750 Ca 0.00 -0.16 0.17 0.00 -1.01 0.00 0.00 66.70 65.70 1fr0 h VAL 750 Cb 0.94 0.46 -0.11 0.00 -2.01 0.00 0.00 31.29 30.57 1fr0 h VAL 750 CO 0.00 0.09 0.25 1.23 -1.01 0.00 0.00 177.57 178.12 1fr0 h GLY 751 N 0.47 1.16 2.00 3.17 0.00 -1.83 0.46 103.07 108.50 1fr0 h GLY 751 Ca 0.20 -0.09 -0.10 0.00 0.00 0.00 0.00 47.33 47.35 1fr0 h GLY 751 CO -0.14 -0.19 -0.48 0.83 0.00 0.00 0.00 176.54 176.56 1fr0 h GLU 752 N 0.34 0.00 -0.56 4.80 4.39 -1.65 -2.74 114.58 119.16 1fr0 h GLU 752 Ca 0.45 0.00 0.05 0.00 0.34 0.00 0.00 59.36 60.20 1fr0 h GLU 752 Cb 0.76 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.37 1fr0 h GLU 752 CO -0.49 0.48 0.29 2.35 -1.16 0.00 0.00 179.01 180.48 1fr0 h TRP 753 N 0.00 0.53 -0.17 4.33 2.91 0.91 -0.86 115.95 123.60 1fr0 h TRP 753 Ca -0.00 0.02 -0.08 0.00 1.13 0.00 0.00 58.89 59.96 1fr0 h TRP 753 Cb 0.87 -0.16 -0.00 0.00 -0.51 0.00 0.00 29.16 29.36 1fr0 h TRP 753 CO 0.00 0.25 -0.21 0.82 -1.03 0.00 0.00 178.44 178.27 1fr0 h ILE 754 N 0.55 1.34 -0.03 2.65 2.04 -1.34 -0.21 117.51 122.52 1fr0 h ILE 754 Ca 0.25 -1.40 0.03 0.00 1.00 0.00 0.00 64.86 64.73 1fr0 h ILE 754 Cb 0.16 1.85 -0.06 0.00 -0.74 0.00 0.00 36.82 38.03 1fr0 h ILE 754 CO -0.17 0.42 -0.47 -0.08 0.00 0.00 0.00 178.15 177.85 1fr0 h GLU 755 N 0.10 -0.58 -0.74 2.37 4.57 -1.14 0.23 114.58 119.38 1fr0 h GLU 755 Ca 0.02 0.04 -0.06 0.00 -1.18 0.00 0.00 59.36 58.18 1fr0 h GLU 755 Cb 0.77 0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 29.46 1fr0 h GLU 755 CO 0.05 -0.39 0.22 1.49 -1.18 0.00 0.00 179.01 179.21 1fr0 h GLU 756 N -0.60 1.16 0.05 1.92 4.81 -1.22 -2.78 114.58 117.92 1fr0 h GLU 756 Ca 0.04 -0.25 0.00 0.00 -0.13 0.00 0.00 59.36 59.02 1fr0 h GLU 756 Cb 0.68 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 1fr0 h GLU 756 CO -0.36 0.99 -0.11 1.98 -0.73 0.00 0.00 179.01 180.78 1fr0 h MET 757 N 1.11 -0.17 -0.70 1.92 4.05 0.00 -2.68 114.93 118.46 1fr0 h MET 757 Ca 0.24 0.01 0.11 0.00 -0.28 0.00 0.00 59.70 59.78 1fr0 h MET 757 Cb 0.32 0.04 -0.12 0.00 -0.80 0.00 0.00 31.60 31.03 1fr0 h MET 757 CO -0.01 -0.11 -0.39 -0.22 0.23 0.00 0.00 176.91 176.41 1fr0 h LYS 758 N -0.18 -0.13 -2.90 0.39 3.64 -1.01 -0.72 116.57 115.65 1fr0 h LYS 758 Ca -0.01 0.01 -0.63 0.00 -1.27 0.00 0.00 60.65 58.75 1fr0 h LYS 758 Cb 0.17 0.03 0.02 0.00 -0.41 0.00 0.00 32.23 32.04 1fr0 h LYS 758 CO -0.05 -0.09 3.47 -1.91 -2.27 0.00 0.00 179.45 178.60 1fr0 n GLU 759 N -5.43 3.58 0.00 1.90 2.13 -1.02 -3.70 120.64 118.10 1fr0 n GLU 759 Ca 0.05 -2.13 0.00 0.00 0.66 0.00 0.00 57.16 55.74 1fr0 n GLU 759 Cb 0.36 -2.73 0.00 0.00 0.27 0.00 0.00 31.44 29.34 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 3.44 0.00 -0.02 5.31 2.13 -0.40 -4.87 120.64 126.24 1fr0 n GLU 760 Ca 0.75 0.00 -0.10 0.00 0.66 0.00 0.00 57.16 58.48 1fr0 n GLU 760 Cb 0.29 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 31.96 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 0.06 -0.58 4.31 5.08 -1.31 -2.66 115.95 120.86 1fr0 h TRP 761 Ca 0.00 0.01 0.11 0.00 1.08 0.00 0.00 58.89 60.08 1fr0 h TRP 761 Cb 0.00 -0.01 -0.11 0.00 -3.00 0.00 0.00 29.16 26.04 1fr0 h TRP 761 CO 0.00 0.03 -0.30 -0.09 -1.28 0.00 0.00 178.44 176.80 1fr0 h ARG 762 N 0.10 -0.14 -0.40 0.12 9.65 -1.84 0.49 114.38 122.35 1fr0 h ARG 762 Ca 0.06 0.01 0.08 0.00 -1.10 0.00 0.00 59.98 59.03 1fr0 h ARG 762 Cb 0.04 0.03 -0.08 0.00 -1.39 0.00 0.00 29.97 28.58 1fr0 h ARG 762 CO -0.07 -0.09 -0.09 1.25 2.80 0.00 0.00 179.97 183.76 1fr0 h HIS 763 N -0.15 -0.20 -0.95 2.20 2.76 -1.84 0.55 115.15 117.52 1fr0 h HIS 763 Ca 0.24 0.04 0.22 0.00 -2.20 0.00 0.00 60.37 58.67 1fr0 h HIS 763 Cb 0.54 0.15 -0.08 0.00 1.55 0.00 0.00 27.41 29.57 1fr0 h HIS 763 CO -0.61 -0.17 0.62 0.22 -1.30 0.00 0.00 177.93 176.70 1fr0 h ASP 764 N 0.01 0.44 0.33 3.26 1.82 -0.59 -2.01 116.42 119.67 1fr0 h ASP 764 Ca 0.19 0.06 -0.02 0.00 -0.39 0.00 0.00 57.03 56.87 1fr0 h ASP 764 Cb 0.29 -0.02 0.00 0.00 0.68 0.00 0.00 39.33 40.28 1fr0 h ASP 764 CO -0.41 0.15 -0.16 0.58 -1.61 0.00 0.00 179.24 177.79 1fr0 h VAL 765 N 0.43 0.00 -1.09 2.25 2.07 -0.28 -2.17 116.25 117.45 1fr0 h VAL 765 Ca 0.51 -0.35 0.32 0.00 0.82 0.00 0.00 66.70 67.99 1fr0 h VAL 765 Cb 1.25 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.98 1fr0 h VAL 765 CO -0.22 0.00 1.08 -0.33 0.02 0.00 0.00 177.57 178.12 1fr0 h GLU 766 N -0.80 0.00 0.01 1.57 5.08 -1.05 -0.91 114.58 118.48 1fr0 h GLU 766 Ca -0.05 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1fr0 h GLU 766 Cb 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1fr0 h GLU 766 CO 0.08 0.00 -0.00 0.28 -1.00 0.00 0.00 179.01 178.36 1fr0 h VAL 767 N 0.00 0.00 -1.39 3.13 2.07 -1.25 -2.68 116.25 116.13 1fr0 h VAL 767 Ca 0.52 -0.08 0.41 0.00 0.82 0.00 0.00 66.70 68.37 1fr0 h VAL 767 Cb 2.67 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 32.36 1fr0 h VAL 767 CO -0.01 0.00 0.97 0.17 0.02 0.00 0.00 177.57 178.72 1fr0 h LEU 768 N -0.08 0.12 -0.08 2.57 8.10 -0.69 0.49 115.31 125.75 1fr0 h LEU 768 Ca -0.00 0.04 -0.03 0.00 0.11 0.00 0.00 57.88 58.01 1fr0 h LEU 768 Cb 0.01 0.03 -0.00 0.00 -0.44 0.00 0.00 40.66 40.26 1fr0 h LEU 768 CO 0.00 -0.03 -0.06 0.50 -4.11 0.00 0.00 178.44 174.74 1fr0 h LYS 769 N 0.08 0.19 0.00 0.17 1.63 -1.29 -2.46 116.57 114.88 1fr0 h LYS 769 Ca 0.72 -0.09 -0.04 0.00 -0.85 0.00 0.00 60.65 60.39 1fr0 h LYS 769 Cb 2.60 -0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 34.22 1fr0 h LYS 769 CO -0.15 0.59 -0.18 0.00 -3.45 0.00 0.00 179.45 176.26 1fr0 h ALA 770 N 0.59 1.23 -0.20 5.00 0.00 0.22 -2.52 119.26 123.59 1fr0 h ALA 770 Ca 0.02 -0.16 -0.16 0.00 0.00 0.00 0.00 54.91 54.60 1fr0 h ALA 770 Cb 0.54 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1fr0 h ALA 770 CO 0.02 0.22 -0.53 2.35 0.00 0.00 0.00 179.25 181.30 1fr0 h TRP 771 N 0.00 0.72 0.10 0.00 7.01 -0.67 -2.81 115.95 120.31 1fr0 h TRP 771 Ca -0.00 -0.25 -0.01 0.00 2.11 0.00 0.00 58.89 60.74 1fr0 h TRP 771 Cb 0.48 -0.14 0.00 0.00 -2.10 0.00 0.00 29.16 27.40 1fr0 h TRP 771 CO 0.00 0.99 -0.05 0.28 -2.79 0.00 0.00 178.44 176.87 1fr0 h VAL 772 N 0.45 1.05 0.00 2.65 2.07 -1.04 0.84 116.25 122.27 1fr0 h VAL 772 Ca 0.01 -1.31 0.00 0.00 0.82 0.00 0.00 66.70 66.22 1fr0 h VAL 772 Cb 1.08 1.79 0.00 0.00 -1.52 0.00 0.00 31.29 32.64 1fr0 h VAL 772 CO 0.10 0.28 0.00 0.00 0.02 0.00 0.00 177.57 177.98 1fr0 n ALA 773 N -2.54 1.02 -0.04 1.67 0.00 -1.00 -1.88 120.51 117.73 1fr0 n ALA 773 Ca -0.08 0.10 -0.05 0.00 0.00 0.00 0.00 53.44 53.41 1fr0 n ALA 773 Cb 0.28 -1.16 -0.04 0.00 0.00 0.00 0.00 19.45 18.53 1fr0 n ALA 773 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1fr0 n LYS 774 N -1.89 1.08 0.21 0.00 4.81 -1.06 -4.48 118.16 116.84 1fr0 n LYS 774 Ca -0.01 0.03 0.07 0.00 -0.87 0.00 0.00 58.31 57.53 1fr0 n LYS 774 Cb 0.02 -1.18 0.46 0.00 0.02 0.00 0.00 35.03 34.35 1fr0 n LYS 774 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1fr0 h ALA 775 N 0.11 1.22 -0.43 3.14 0.00 0.96 -2.37 119.26 121.89 1fr0 h ALA 775 Ca -0.19 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1fr0 h ALA 775 Cb 1.34 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1fr0 h ALA 775 CO -0.02 0.37 0.00 -2.37 0.00 0.00 0.00 179.25 177.23 1fr0 n THR 776 N -3.76 0.67 -0.62 0.00 5.66 -0.79 -4.95 114.28 110.49 1fr0 n THR 776 Ca -0.01 -0.60 -0.27 0.00 -3.05 0.00 0.00 64.05 60.12 1fr0 n THR 776 Cb 0.39 0.23 0.16 0.00 -1.55 0.00 0.00 70.33 69.56 1fr0 n THR 776 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 1fr0 n LYS 777 N 0.74 -1.91 0.00 1.09 4.81 -0.89 -5.08 118.16 116.91 1fr0 n LYS 777 Ca 0.15 -0.55 0.00 0.00 -0.87 0.00 0.00 58.31 57.03 1fr0 n LYS 777 Cb 0.40 -1.56 0.00 0.00 0.02 0.00 0.00 35.03 33.89 1fr0 n LYS 777 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20