#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 1.16 -3.46 12.58 -1.04 -1.26 -5.02 114.28 117.24 1fr0 n THR 655 Ca 0.00 -2.27 -0.14 0.00 -2.04 0.00 0.00 64.05 59.60 1fr0 n THR 655 Cb 0.00 0.37 0.00 0.00 -1.82 0.00 0.00 70.33 68.89 1fr0 n THR 655 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1fr0 n GLU 656 N -0.32 -1.43 -2.87 -2.82 1.02 -1.26 -3.97 120.64 108.99 1fr0 n GLU 656 Ca 0.14 1.07 -0.02 0.00 -0.02 0.00 0.00 57.16 58.33 1fr0 n GLU 656 Cb 0.92 -3.92 0.00 0.00 -0.02 0.00 0.00 31.44 28.43 1fr0 n GLU 656 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1fr0 n GLU 657 N -2.33 -2.56 -1.66 3.49 2.13 -1.26 -4.74 120.64 113.71 1fr0 n GLU 657 Ca -0.17 2.20 -0.51 0.00 0.66 0.00 0.00 57.16 59.34 1fr0 n GLU 657 Cb 0.60 -4.19 -0.06 0.00 0.27 0.00 0.00 31.44 28.07 1fr0 n GLU 657 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1fr0 n ASN 658 N 0.76 2.53 -4.44 4.31 6.94 -1.25 -4.70 115.26 119.40 1fr0 n ASN 658 Ca 0.01 1.07 -0.46 0.00 -0.02 0.00 0.00 54.58 55.17 1fr0 n ASN 658 Cb 0.18 -1.27 -0.11 0.00 -2.36 0.00 0.00 39.78 36.23 1fr0 n ASN 658 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 1fr0 n SER 659 N 4.30 1.08 -2.62 0.53 7.64 -1.26 -4.73 113.62 118.57 1fr0 n SER 659 Ca 0.21 0.23 -0.17 0.00 1.01 0.00 0.00 58.87 60.15 1fr0 n SER 659 Cb 0.22 -1.09 -0.08 0.00 -1.01 0.00 0.00 64.21 62.25 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 8.30 1.96 0.00 1.43 4.76 -1.26 -2.16 118.16 131.18 1fr0 n LYS 660 Ca 0.54 -1.15 0.00 0.00 -2.87 0.00 0.00 58.31 54.83 1fr0 n LYS 660 Cb 0.14 -2.17 0.00 0.00 -1.84 0.00 0.00 35.03 31.16 1fr0 n LYS 660 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1fr0 n SER 661 N 3.24 0.00 -0.14 4.39 2.88 -1.26 -4.95 113.62 117.78 1fr0 n SER 661 Ca 0.42 0.00 0.06 0.00 -1.33 0.00 0.00 58.87 58.02 1fr0 n SER 661 Cb 0.44 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.86 1fr0 n SER 661 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1fr0 n GLU 662 N 0.00 2.47 0.24 -1.46 2.13 -1.16 -4.28 120.64 118.58 1fr0 n GLU 662 Ca 0.00 -0.33 0.14 0.00 0.66 0.00 0.00 57.16 57.64 1fr0 n GLU 662 Cb 0.00 -1.12 0.41 0.00 0.27 0.00 0.00 31.44 31.00 1fr0 n GLU 662 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1fr0 h ALA 663 N 1.97 0.99 0.00 4.31 0.00 -1.79 -3.25 119.26 121.48 1fr0 h ALA 663 Ca 0.00 -0.02 -0.36 0.00 0.00 0.00 0.00 54.91 54.53 1fr0 h ALA 663 Cb 0.36 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.08 1fr0 h ALA 663 CO 0.00 0.03 -2.32 1.28 0.00 0.00 0.00 179.25 178.23 1fr0 n LEU 664 N -3.11 0.54 -4.34 0.00 4.77 -1.26 -4.45 117.00 109.15 1fr0 n LEU 664 Ca 0.02 0.03 -0.20 0.00 -0.03 0.00 0.00 56.01 55.83 1fr0 n LEU 664 Cb 0.43 0.24 -0.09 0.00 -2.33 0.00 0.00 43.42 41.68 1fr0 n LEU 664 CO 0.31 0.55 -0.17 -1.48 -1.33 0.00 0.00 177.39 175.27 1fr0 s LEU 665 N -5.72 1.72 -0.37 2.23 2.34 -1.23 -1.19 118.68 116.47 1fr0 s LEU 665 Ca -0.13 -1.63 -0.11 0.00 0.06 0.00 0.00 54.13 52.32 1fr0 s LEU 665 Cb 0.07 0.26 0.03 0.00 -0.56 0.00 0.00 46.19 45.98 1fr0 s LEU 665 CO 0.80 -0.94 0.21 -0.62 -1.06 0.00 0.00 176.35 174.73 1fr0 s ASP 666 N -3.40 5.73 0.15 1.48 -1.08 -0.86 -4.50 116.67 114.19 1fr0 s ASP 666 Ca 0.35 -0.96 -0.13 0.00 -0.52 0.00 0.00 52.55 51.29 1fr0 s ASP 666 Cb 0.04 -2.03 0.02 0.00 -1.46 0.00 0.00 42.92 39.49 1fr0 s ASP 666 CO 0.20 -0.38 1.62 0.40 0.52 0.00 0.00 175.17 177.53 1fr0 h ILE 667 N 5.85 1.25 -0.03 4.11 5.03 -1.89 -0.90 117.51 130.94 1fr0 h ILE 667 Ca -0.26 -0.97 -0.11 0.00 -0.12 0.00 0.00 64.86 63.40 1fr0 h ILE 667 Cb 1.11 0.94 0.01 0.00 -3.03 0.00 0.00 36.82 35.85 1fr0 h ILE 667 CO 0.67 0.34 -0.41 1.55 -0.68 0.00 0.00 178.15 179.62 1fr0 h PRO 668 N 0.68 0.33 -0.72 2.37 0.13 -2.00 -2.70 132.00 130.10 1fr0 h PRO 668 Ca 0.14 -0.32 -0.04 0.00 -0.87 0.00 0.00 66.00 64.92 1fr0 h PRO 668 Cb 0.43 0.08 -0.03 0.00 0.13 0.00 0.00 31.00 31.61 1fr0 h PRO 668 CO 0.01 0.99 0.31 1.98 -0.23 0.00 0.00 178.00 181.06 1fr0 h MET 669 N -0.21 1.05 0.45 0.86 4.05 -1.97 -2.12 114.93 117.05 1fr0 h MET 669 Ca -0.04 -0.17 -0.02 0.00 -0.28 0.00 0.00 59.70 59.19 1fr0 h MET 669 Cb 1.10 -0.18 0.00 0.00 -0.80 0.00 0.00 31.60 31.73 1fr0 h MET 669 CO 0.08 0.84 -0.22 -0.07 0.23 0.00 0.00 176.91 177.78 1fr0 h LEU 670 N 1.04 -0.51 -0.60 3.39 3.38 -1.21 -2.69 115.31 118.11 1fr0 h LEU 670 Ca 0.24 -0.07 0.11 0.00 0.09 0.00 0.00 57.88 58.26 1fr0 h LEU 670 Cb 0.17 0.13 -0.09 0.00 0.09 0.00 0.00 40.66 40.96 1fr0 h LEU 670 CO -0.02 -0.23 0.11 -0.08 0.09 0.00 0.00 178.44 178.30 1fr0 h GLU 671 N -0.80 0.23 -0.22 1.13 4.22 -1.38 -1.71 114.58 116.05 1fr0 h GLU 671 Ca -0.06 -0.01 0.06 0.00 0.08 0.00 0.00 59.36 59.42 1fr0 h GLU 671 Cb 0.55 -0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.68 1fr0 h GLU 671 CO 0.10 0.15 -0.29 0.37 -2.18 0.00 0.00 179.01 177.16 1fr0 h GLN 672 N 0.23 -0.30 -1.00 1.92 4.15 -1.29 0.60 115.11 119.43 1fr0 h GLN 672 Ca 0.31 0.02 0.21 0.00 0.77 0.00 0.00 58.65 59.97 1fr0 h GLN 672 Cb 0.47 0.07 -0.10 0.00 0.21 0.00 0.00 27.48 28.13 1fr0 h GLN 672 CO -0.42 -0.20 0.62 1.88 -1.93 0.00 0.00 178.83 178.78 1fr0 h TYR 673 N -0.32 0.93 -0.21 3.99 0.05 -0.98 0.44 116.97 120.87 1fr0 h TYR 673 Ca 0.12 0.03 -0.06 0.00 0.05 0.00 0.00 58.73 58.88 1fr0 h TYR 673 Cb 0.51 -0.28 -0.01 0.00 1.01 0.00 0.00 36.73 37.96 1fr0 h TYR 673 CO -0.42 0.17 -0.13 -0.07 -1.05 0.00 0.00 178.16 176.66 1fr0 h LEU 674 N 0.63 0.33 -0.94 3.88 3.38 -0.50 -1.17 115.31 120.91 1fr0 h LEU 674 Ca 0.58 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.47 1fr0 h LEU 674 Cb 1.09 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.75 1fr0 h LEU 674 CO -0.36 0.49 0.00 -0.33 0.09 0.00 0.00 178.44 178.33 1fr0 h GLU 675 N 0.32 0.00 0.00 1.13 4.39 0.68 -2.16 114.58 118.95 1fr0 h GLU 675 Ca 0.06 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.76 1fr0 h GLU 675 Cb 0.43 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.08 1fr0 h GLU 675 CO 0.02 0.00 -0.14 1.28 -1.16 0.00 0.00 179.01 179.02 1fr0 n LEU 676 N -2.92 0.40 -0.09 1.33 4.77 -0.63 -4.81 117.00 115.05 1fr0 n LEU 676 Ca 0.02 0.26 -0.11 0.00 -0.03 0.00 0.00 56.01 56.15 1fr0 n LEU 676 Cb 0.35 -0.57 -0.12 0.00 -2.33 0.00 0.00 43.42 40.75 1fr0 n LEU 676 CO 0.28 -0.48 -1.12 0.52 -1.33 0.00 0.00 177.39 175.26 1fr0 n VAL 677 N -2.80 1.20 0.00 4.08 0.31 -0.54 -5.11 118.33 115.46 1fr0 n VAL 677 Ca -0.02 -0.63 0.00 0.00 -0.01 0.00 0.00 64.34 63.68 1fr0 n VAL 677 Cb 0.07 -0.83 0.00 0.00 -0.91 0.00 0.00 33.84 32.17 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 2.15 -0.23 0.00 2.92 0.00 -0.81 -4.42 105.19 104.80 1fr0 n GLY 678 Ca -0.32 -2.01 0.10 0.00 0.00 0.00 0.00 46.02 43.79 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 0.75 0.00 1.61 -0.04 -1.26 -3.91 135.00 132.14 1fr0 n PRO 679 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1fr0 n PRO 679 Cb 0.00 -1.44 0.00 0.00 -0.04 0.00 0.00 33.50 32.02 1fr0 n PRO 679 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1fr0 n LYS 680 N -0.94 0.00 0.33 0.54 5.02 -1.26 -0.47 118.16 121.38 1fr0 n LYS 680 Ca 0.16 0.44 0.13 0.00 -2.02 0.00 0.00 58.31 57.02 1fr0 n LYS 680 Cb 0.07 -1.01 0.71 0.00 -0.02 0.00 0.00 35.03 34.77 1fr0 n LYS 680 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1fr0 h LEU 681 N 0.00 0.00 0.00 -0.35 5.85 -1.85 1.10 115.31 120.06 1fr0 h LEU 681 Ca 0.00 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.54 1fr0 h LEU 681 Cb 0.00 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 1fr0 h LEU 681 CO 0.00 0.00 -1.11 -0.38 -0.34 0.00 0.00 178.44 176.61 1fr0 n ILE 682 N -2.85 1.51 -0.01 4.05 2.08 -1.24 -3.04 119.36 119.85 1fr0 n ILE 682 Ca -0.02 0.03 -0.15 0.00 0.56 0.00 0.00 62.75 63.17 1fr0 n ILE 682 Cb 0.47 -2.12 -0.04 0.00 -0.75 0.00 0.00 39.64 37.20 1fr0 n ILE 682 CO 0.00 0.00 0.00 0.74 0.56 0.00 0.00 176.55 177.85 1fr0 h THR 683 N -1.00 1.30 0.36 1.39 2.02 0.12 -2.00 112.91 115.10 1fr0 h THR 683 Ca -0.28 -1.97 -0.02 0.00 0.77 0.00 0.00 66.41 64.91 1fr0 h THR 683 Cb 1.13 1.96 0.00 0.00 -1.74 0.00 0.00 68.15 69.50 1fr0 h THR 683 CO -0.17 0.62 -0.17 -0.78 0.37 0.00 0.00 175.52 175.39 1fr0 h ASP 684 N 0.50 -0.41 -0.87 4.18 1.82 0.11 -0.64 116.42 121.10 1fr0 h ASP 684 Ca -0.04 0.01 0.21 0.00 -0.39 0.00 0.00 57.03 56.82 1fr0 h ASP 684 Cb 1.36 0.11 -0.06 0.00 0.68 0.00 0.00 39.33 41.42 1fr0 h ASP 684 CO 0.15 -0.16 0.59 1.23 -1.61 0.00 0.00 179.24 179.44 1fr0 h GLY 685 N -0.76 0.63 1.62 -0.78 0.00 -1.62 0.24 103.07 102.40 1fr0 h GLY 685 Ca -0.05 -0.13 -0.15 0.00 0.00 0.00 0.00 47.33 46.99 1fr0 h GLY 685 CO 0.08 -0.00 -0.57 -2.00 0.00 0.00 0.00 176.54 174.05 1fr0 h LEU 686 N 0.29 0.44 0.47 3.11 5.85 -1.31 -1.50 115.31 122.67 1fr0 h LEU 686 Ca 0.44 -0.24 -0.02 0.00 0.84 0.00 0.00 57.88 58.90 1fr0 h LEU 686 Cb 1.26 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.17 1fr0 h LEU 686 CO -0.13 0.92 -0.22 0.00 -0.34 0.00 0.00 178.44 178.67 1fr0 h ALA 687 N 1.09 -0.63 -0.63 1.25 0.00 0.11 0.13 119.26 120.58 1fr0 h ALA 687 Ca 0.00 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 1fr0 h ALA 687 Cb 1.09 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 1fr0 h ALA 687 CO 0.10 -0.76 0.07 -0.24 0.00 0.00 0.00 179.25 178.41 1fr0 h VAL 688 N -0.81 1.26 0.44 0.00 3.04 -1.52 -1.70 116.25 116.97 1fr0 h VAL 688 Ca -0.06 -1.07 -0.02 0.00 -1.01 0.00 0.00 66.70 64.53 1fr0 h VAL 688 Cb 0.56 0.70 0.00 0.00 -2.01 0.00 0.00 31.29 30.54 1fr0 h VAL 688 CO 0.10 0.40 -0.21 0.15 -1.01 0.00 0.00 177.57 177.00 1fr0 h PHE 689 N 0.99 -0.55 -0.15 3.17 3.57 -1.23 -2.44 116.94 120.29 1fr0 h PHE 689 Ca 0.19 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.72 1fr0 h PHE 689 Cb 0.48 0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.39 1fr0 h PHE 689 CO 0.03 -0.23 0.17 1.05 -2.23 0.00 0.00 178.31 177.11 1fr0 h GLU 690 N -0.92 0.00 -0.38 1.11 -0.00 -0.76 0.29 114.58 113.92 1fr0 h GLU 690 Ca -0.06 0.00 -0.16 0.00 -0.00 0.00 0.00 59.36 59.14 1fr0 h GLU 690 Cb 0.57 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.32 1fr0 h GLU 690 CO 0.10 0.00 -0.40 -0.22 -0.00 0.00 0.00 179.01 178.49 1fr0 h LYS 691 N 0.00 0.93 -0.73 1.06 3.64 -1.03 -2.99 116.57 117.45 1fr0 h LYS 691 Ca 0.07 -0.49 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 1fr0 h LYS 691 Cb 0.42 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 1fr0 h LYS 691 CO -0.00 1.15 0.00 -1.33 -2.27 0.00 0.00 179.45 177.00 1fr0 n MET 692 N -4.05 2.97 0.10 1.90 2.81 -0.14 -4.49 117.12 116.22 1fr0 n MET 692 Ca -0.02 -2.73 -0.13 0.00 -1.81 0.00 0.00 57.70 53.00 1fr0 n MET 692 Cb 0.55 -1.65 -0.08 0.00 -0.71 0.00 0.00 33.22 31.33 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 4.30 -0.20 0.00 0.03 2.86 -0.36 0.20 114.93 121.75 1fr0 h MET 693 Ca 0.00 0.01 -0.08 0.00 -2.06 0.00 0.00 59.70 57.58 1fr0 h MET 693 Cb 1.10 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.80 1fr0 h MET 693 CO 0.05 -0.02 -0.37 -1.00 1.06 0.00 0.00 176.91 176.63 1fr0 h PRO 694 N -0.35 0.00 0.00 -0.22 0.13 -1.79 -2.18 132.00 127.60 1fr0 h PRO 694 Ca -0.02 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.86 1fr0 h PRO 694 Cb 0.27 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.42 1fr0 h PRO 694 CO 0.04 0.37 -0.96 0.78 -0.23 0.00 0.00 178.00 177.99 1fr0 h GLY 695 N 1.56 0.72 0.91 1.56 0.00 -1.76 -1.82 103.07 104.24 1fr0 h GLY 695 Ca -0.00 -1.27 -0.01 0.00 0.00 0.00 0.00 47.33 46.05 1fr0 h GLY 695 CO 0.05 1.12 0.10 -0.97 0.00 0.00 0.00 176.54 176.84 1fr0 h TYR 696 N 0.29 0.37 -0.54 5.60 0.05 -0.45 -2.57 116.97 119.72 1fr0 h TYR 696 Ca -0.12 -0.03 -0.06 0.00 0.05 0.00 0.00 58.73 58.57 1fr0 h TYR 696 Cb 1.62 -0.11 -0.02 0.00 1.01 0.00 0.00 36.73 39.23 1fr0 h TYR 696 CO 0.11 0.38 0.09 0.28 -1.05 0.00 0.00 178.16 177.97 1fr0 h VAL 697 N 0.25 1.24 -0.34 -2.88 2.07 -1.45 -2.56 116.25 112.57 1fr0 h VAL 697 Ca 0.08 -0.91 0.07 0.00 0.82 0.00 0.00 66.70 66.77 1fr0 h VAL 697 Cb 0.17 0.73 -0.07 0.00 -1.52 0.00 0.00 31.29 30.59 1fr0 h VAL 697 CO -0.01 0.33 -0.14 -1.28 0.02 0.00 0.00 177.57 176.50 1fr0 h SER 698 N 0.81 -0.47 -0.75 0.57 0.87 -0.94 -0.21 113.55 113.43 1fr0 h SER 698 Ca 0.17 0.12 0.01 0.00 -1.23 0.00 0.00 61.79 60.86 1fr0 h SER 698 Cb 0.36 0.27 -0.04 0.00 -0.44 0.00 0.00 62.40 62.56 1fr0 h SER 698 CO 0.01 -0.17 0.50 0.58 -0.53 0.00 0.00 176.83 177.21 1fr0 h VAL 699 N -0.07 1.19 -0.77 2.23 2.07 -1.21 -0.84 116.25 118.86 1fr0 h VAL 699 Ca 0.17 -0.35 0.17 0.00 0.82 0.00 0.00 66.70 67.51 1fr0 h VAL 699 Cb 0.33 0.08 -0.05 0.00 -1.52 0.00 0.00 31.29 30.14 1fr0 h VAL 699 CO -0.39 0.19 0.52 0.25 0.02 0.00 0.00 177.57 178.16 1fr0 h LEU 700 N 1.02 0.30 -0.16 2.57 5.85 -0.68 0.77 115.31 124.98 1fr0 h LEU 700 Ca 0.28 0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.95 1fr0 h LEU 700 Cb -0.12 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 40.87 1fr0 h LEU 700 CO -0.06 0.14 -0.18 -0.08 -0.34 0.00 0.00 178.44 177.92 1fr0 h GLU 701 N 0.31 0.40 -0.40 1.25 4.81 -0.05 0.14 114.58 121.05 1fr0 h GLU 701 Ca 0.38 -0.22 -0.01 0.00 -0.13 0.00 0.00 59.36 59.38 1fr0 h GLU 701 Cb 1.03 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.41 1fr0 h GLU 701 CO -0.10 0.79 0.20 1.03 -0.73 0.00 0.00 179.01 180.20 1fr0 h SER 702 N 0.03 0.51 -0.40 1.04 0.87 -0.67 -0.84 113.55 114.09 1fr0 h SER 702 Ca 0.02 -0.11 -0.07 0.00 -1.23 0.00 0.00 61.79 60.40 1fr0 h SER 702 Cb 0.73 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.54 1fr0 h SER 702 CO 0.04 0.48 -0.01 0.78 -0.53 0.00 0.00 176.83 177.59 1fr0 h ASN 703 N 0.51 0.71 -0.79 6.23 4.21 -0.92 -0.92 115.58 124.59 1fr0 h ASN 703 Ca 0.14 -0.31 0.07 0.00 1.21 0.00 0.00 56.30 57.40 1fr0 h ASN 703 Cb 0.09 -0.19 -0.06 0.00 -1.12 0.00 0.00 38.32 37.04 1fr0 h ASN 703 CO -0.02 0.85 0.47 0.25 -1.29 0.00 0.00 177.43 177.69 1fr0 h LEU 704 N 0.55 0.72 -1.00 1.61 5.85 -0.45 0.15 115.31 122.74 1fr0 h LEU 704 Ca 0.11 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 1fr0 h LEU 704 Cb 0.49 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.40 1fr0 h LEU 704 CO 0.02 0.46 -0.05 0.71 -0.34 0.00 0.00 178.44 179.24 1fr0 h THR 705 N 0.85 0.10 -0.46 1.05 1.35 -0.91 -2.57 112.91 112.33 1fr0 h THR 705 Ca 0.36 -0.77 0.00 0.00 -0.55 0.00 0.00 66.41 65.44 1fr0 h THR 705 Cb 0.21 1.70 0.00 0.00 -1.73 0.00 0.00 68.15 68.32 1fr0 h THR 705 CO -0.19 0.05 0.00 0.00 -0.25 0.00 0.00 175.52 175.13 1fr0 n ALA 706 N -2.12 2.55 -3.66 6.62 0.00 0.43 -4.92 120.51 119.42 1fr0 n ALA 706 Ca 0.01 -0.87 -0.22 0.00 0.00 0.00 0.00 53.44 52.36 1fr0 n ALA 706 Cb 0.39 -0.98 0.05 0.00 0.00 0.00 0.00 19.45 18.92 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 0.82 -5.76 -2.96 0.00 1.13 -0.62 -4.90 117.38 105.09 1fr0 n GLN 707 Ca 0.16 0.69 -0.44 0.00 -1.94 0.00 0.00 57.00 55.48 1fr0 n GLN 707 Cb 0.46 -5.47 0.01 0.00 0.11 0.00 0.00 30.24 25.34 1fr0 n GLN 707 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 1fr0 n ASP 708 N -3.04 5.84 -0.25 1.08 -0.08 -0.61 -4.84 116.55 114.67 1fr0 n ASP 708 Ca -0.21 -3.22 0.04 0.00 -1.51 0.00 0.00 54.79 49.88 1fr0 n ASP 708 Cb 0.64 -1.37 0.16 0.00 2.34 0.00 0.00 41.12 42.90 1fr0 n ASP 708 CO 0.00 0.00 0.00 0.07 0.12 0.00 0.00 177.20 177.39 1fr0 h LYS 709 N 5.97 0.45 0.00 -0.67 2.10 -1.90 0.20 116.57 122.72 1fr0 h LYS 709 Ca 0.24 -0.03 -0.08 0.00 -2.00 0.00 0.00 60.65 58.79 1fr0 h LYS 709 Cb 0.71 -0.10 -0.01 0.00 -0.90 0.00 0.00 32.23 31.92 1fr0 h LYS 709 CO 1.30 0.30 -0.36 1.57 -2.00 0.00 0.00 179.45 180.26 1fr0 h LYS 710 N 0.46 0.00 0.13 0.07 5.09 -2.00 -2.67 116.57 117.65 1fr0 h LYS 710 Ca 0.38 0.00 -0.01 0.00 0.09 0.00 0.00 60.65 61.12 1fr0 h LYS 710 Cb 0.54 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.87 1fr0 h LYS 710 CO -0.37 0.36 -0.06 0.78 -2.09 0.00 0.00 179.45 178.07 1fr0 h GLY 711 N 1.32 -0.18 -0.64 0.07 0.00 -1.13 -2.58 103.07 99.93 1fr0 h GLY 711 Ca -0.00 0.07 0.26 0.00 0.00 0.00 0.00 47.33 47.66 1fr0 h GLY 711 CO 0.05 -0.06 0.21 -2.22 0.00 0.00 0.00 176.54 174.51 1fr0 h ILE 712 N -0.78 0.20 0.44 2.60 2.04 -0.84 -1.78 117.51 119.39 1fr0 h ILE 712 Ca -0.02 -0.05 -0.02 0.00 1.00 0.00 0.00 64.86 65.78 1fr0 h ILE 712 Cb 0.13 0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.27 1fr0 h ILE 712 CO 0.03 0.02 -0.21 0.58 0.00 0.00 0.00 178.15 178.57 1fr0 h VAL 713 N 0.13 0.00 -0.03 1.67 2.07 -1.57 0.93 116.25 119.46 1fr0 h VAL 713 Ca 0.60 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 68.04 1fr0 h VAL 713 Cb 1.26 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.03 1fr0 h VAL 713 CO -0.74 0.00 -0.02 -0.08 0.02 0.00 0.00 177.57 176.75 1fr0 h GLU 714 N -0.67 -0.00 0.00 1.57 4.81 -0.92 2.15 114.58 121.52 1fr0 h GLU 714 Ca -0.06 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1fr0 h GLU 714 Cb 0.45 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.83 1fr0 h GLU 714 CO 0.10 -0.00 0.21 1.05 -0.73 0.00 0.00 179.01 179.63 1fr0 h GLU 715 N -0.00 0.00 0.00 1.92 4.11 -1.48 -0.58 114.58 118.54 1fr0 h GLU 715 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1fr0 h GLU 715 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1fr0 h GLU 715 CO -0.03 0.00 0.00 0.41 0.07 0.00 0.00 179.01 179.46 1fr0 n GLY 716 N -1.22 -1.93 0.25 1.06 0.00 0.72 -1.28 105.19 102.79 1fr0 n GLY 716 Ca -0.02 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.07 1.61 2.07 -1.08 -0.66 115.15 117.02 1fr0 h HIS 717 Ca 0.00 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.50 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 0.12 0.16 -0.02 0.87 -3.07 0.00 0.00 177.93 175.99 1fr0 h LYS 718 N 0.00 0.14 0.00 5.12 1.57 -1.16 -0.05 116.57 122.18 1fr0 h LYS 718 Ca -0.00 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1fr0 h LYS 718 Cb 0.50 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.80 1fr0 h LYS 718 CO 0.02 0.48 -0.02 0.82 -0.57 0.00 0.00 179.45 180.18 1fr0 h ILE 719 N -0.21 0.06 -0.59 1.86 5.03 -1.06 -2.73 117.51 119.86 1fr0 h ILE 719 Ca 0.02 -1.04 0.16 0.00 -0.12 0.00 0.00 64.86 63.87 1fr0 h ILE 719 Cb 0.43 0.11 -0.03 0.00 -3.03 0.00 0.00 36.82 34.30 1fr0 h ILE 719 CO 0.01 0.02 0.42 0.11 -0.68 0.00 0.00 178.15 178.02 1fr0 h LYS 720 N -1.00 0.07 0.35 2.37 6.56 -1.27 -1.79 116.57 121.86 1fr0 h LYS 720 Ca -0.00 -0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 59.57 1fr0 h LYS 720 Cb 0.05 -0.02 0.00 0.00 -0.57 0.00 0.00 32.23 31.70 1fr0 h LYS 720 CO -0.00 0.05 -0.17 0.78 -2.06 0.00 0.00 179.45 178.05 1fr0 h GLY 721 N 0.07 -0.49 0.07 3.86 0.00 -1.09 -2.27 103.07 103.21 1fr0 h GLY 721 Ca 0.28 0.18 0.08 0.00 0.00 0.00 0.00 47.33 47.88 1fr0 h GLY 721 CO -0.02 -0.18 -0.17 0.00 0.00 0.00 0.00 176.54 176.17 1fr0 h ALA 722 N -0.59 0.14 -0.27 3.60 0.00 -1.06 -1.49 119.26 119.60 1fr0 h ALA 722 Ca -0.05 0.14 0.06 0.00 0.00 0.00 0.00 54.91 55.07 1fr0 h ALA 722 Cb 0.53 0.43 -0.06 0.00 0.00 0.00 0.00 17.79 18.68 1fr0 h ALA 722 CO 0.08 -0.53 -0.16 0.00 0.00 0.00 0.00 179.25 178.64 1fr0 h ALA 723 N 1.21 0.04 -0.78 0.00 0.00 -1.40 0.32 119.26 118.66 1fr0 h ALA 723 Ca 0.19 0.10 0.23 0.00 0.00 0.00 0.00 54.91 55.43 1fr0 h ALA 723 Cb 0.39 0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 1fr0 h ALA 723 CO -0.46 -0.56 0.76 0.78 0.00 0.00 0.00 179.25 179.77 1fr0 h GLY 724 N -0.13 0.00 2.00 0.00 0.00 -0.69 1.31 103.07 105.56 1fr0 h GLY 724 Ca 0.14 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.38 1fr0 h GLY 724 CO -0.35 0.00 -0.42 0.23 0.00 0.00 0.00 176.54 176.00 1fr0 h SER 725 N 0.00 0.00 -0.29 0.19 0.87 -0.01 -2.14 113.55 112.17 1fr0 h SER 725 Ca 0.37 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.93 1fr0 h SER 725 Cb 1.89 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.85 1fr0 h SER 725 CO -0.00 0.42 0.00 0.52 -0.53 0.00 0.00 176.83 177.24 1fr0 n VAL 726 N -3.79 0.83 -0.31 2.23 0.31 0.45 -4.80 118.33 113.25 1fr0 n VAL 726 Ca -0.01 -0.53 0.00 0.00 -0.01 0.00 0.00 64.34 63.79 1fr0 n VAL 726 Cb 0.49 -0.09 0.00 0.00 -0.91 0.00 0.00 33.84 33.32 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 0.65 0.81 3.17 2.92 0.00 -0.81 -4.88 105.19 107.05 1fr0 n GLY 727 Ca 0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 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 5.92 0.23 0.99 4.77 -0.62 -2.03 117.00 126.26 1fr0 n LEU 728 Ca 0.00 -4.58 0.12 0.00 -0.03 0.00 0.00 56.01 51.52 1fr0 n LEU 728 Cb 0.00 -1.54 0.44 0.00 -2.33 0.00 0.00 43.42 39.99 1fr0 n LEU 728 CO 0.00 1.07 0.83 0.08 -1.33 0.00 0.00 177.39 178.04 1fr0 h ARG 729 N 6.43 0.00 0.04 3.23 0.11 -1.60 -2.68 114.38 119.91 1fr0 h ARG 729 Ca 0.35 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.43 1fr0 h ARG 729 Cb 0.75 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.83 1fr0 h ARG 729 CO 1.42 0.15 -0.03 1.25 0.10 0.00 0.00 179.97 182.85 1fr0 h HIS 730 N 0.00 -0.09 -0.29 4.08 2.76 -1.37 -1.50 115.15 118.74 1fr0 h HIS 730 Ca -0.00 0.00 -0.10 0.00 -2.20 0.00 0.00 60.37 58.07 1fr0 h HIS 730 Cb 0.77 0.03 -0.01 0.00 1.55 0.00 0.00 27.41 29.76 1fr0 h HIS 730 CO 0.00 -0.06 -0.21 -0.07 -1.30 0.00 0.00 177.93 176.30 1fr0 h LEU 731 N -0.08 0.68 -1.60 0.26 3.38 -1.78 -2.68 115.31 113.48 1fr0 h LEU 731 Ca 0.00 -0.44 0.23 0.00 0.09 0.00 0.00 57.88 57.76 1fr0 h LEU 731 Cb 0.08 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 40.57 1fr0 h LEU 731 CO -0.01 0.98 0.62 -0.61 0.09 0.00 0.00 178.44 179.51 1fr0 h GLN 732 N 0.39 0.30 0.08 1.13 4.15 -1.25 -1.34 115.11 118.58 1fr0 h GLN 732 Ca 0.06 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.45 1fr0 h GLN 732 Cb 0.75 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.38 1fr0 h GLN 732 CO 0.06 0.20 -0.04 1.96 -1.93 0.00 0.00 178.83 179.08 1fr0 h GLN 733 N 0.31 -0.11 -0.68 1.69 4.20 -1.01 -2.64 115.11 116.87 1fr0 h GLN 733 Ca 0.48 0.01 0.15 0.00 0.06 0.00 0.00 58.65 59.34 1fr0 h GLN 733 Cb 1.35 0.02 -0.11 0.00 0.30 0.00 0.00 27.48 29.04 1fr0 h GLN 733 CO -0.15 0.44 0.08 -0.07 -0.67 0.00 0.00 178.83 178.46 1fr0 h LEU 734 N -0.80 -0.15 0.51 1.46 4.07 -0.97 -1.50 115.31 117.94 1fr0 h LEU 734 Ca -0.01 0.15 -0.02 0.00 0.08 0.00 0.00 57.88 58.08 1fr0 h LEU 734 Cb 0.59 0.24 0.00 0.00 1.08 0.00 0.00 40.66 42.58 1fr0 h LEU 734 CO 0.02 -0.08 -0.24 1.23 -1.08 0.00 0.00 178.44 178.28 1fr0 h GLY 735 N 0.19 -0.71 -0.95 0.83 0.00 -1.35 -1.34 103.07 99.74 1fr0 h GLY 735 Ca 0.37 0.26 0.19 0.00 0.00 0.00 0.00 47.33 48.16 1fr0 h GLY 735 CO -0.53 -0.26 -0.24 -1.61 0.00 0.00 0.00 176.54 173.90 1fr0 h GLN 736 N -0.69 0.00 -0.18 4.80 4.15 -0.90 1.25 115.11 123.54 1fr0 h GLN 736 Ca -0.07 -0.00 -0.10 0.00 0.77 0.00 0.00 58.65 59.25 1fr0 h GLN 736 Cb 0.53 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.21 1fr0 h GLN 736 CO 0.11 0.00 -0.33 1.96 -1.93 0.00 0.00 178.83 178.65 1fr0 h GLN 737 N 0.00 0.36 0.00 1.69 1.08 -1.18 -2.29 115.11 114.76 1fr0 h GLN 737 Ca 0.47 -0.15 0.00 0.00 -1.45 0.00 0.00 58.65 57.52 1fr0 h GLN 737 Cb 0.71 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.13 1fr0 h GLN 737 CO -1.00 0.65 0.00 0.82 -0.95 0.00 0.00 178.83 178.35 1fr0 h ILE 738 N 0.31 0.00 0.00 2.54 2.04 0.27 -1.72 117.51 120.95 1fr0 h ILE 738 Ca 0.04 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.75 1fr0 h ILE 738 Cb 0.73 0.88 0.00 0.00 -0.74 0.00 0.00 36.82 37.69 1fr0 h ILE 738 CO 0.06 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.21 1fr0 n GLN 739 N -2.53 0.98 -2.67 2.37 1.13 -0.59 -3.78 117.38 112.29 1fr0 n GLN 739 Ca -0.00 0.00 -0.21 0.00 -1.94 0.00 0.00 57.00 54.85 1fr0 n GLN 739 Cb 0.14 -1.03 -0.00 0.00 0.11 0.00 0.00 30.24 29.46 1fr0 n GLN 739 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 1fr0 n SER 740 N -0.53 3.39 -2.29 1.08 7.64 -0.65 -4.93 113.62 117.32 1fr0 n SER 740 Ca 0.02 -3.36 -0.05 0.00 1.01 0.00 0.00 58.87 56.49 1fr0 n SER 740 Cb 0.01 -0.51 -0.06 0.00 -1.01 0.00 0.00 64.21 62.63 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 -0.26 0.76 0.00 1.43 -0.04 -1.25 -2.80 135.00 132.84 1fr0 n PRO 741 Ca 0.28 -0.38 0.00 0.00 -0.04 0.00 0.00 63.50 63.36 1fr0 n PRO 741 Cb 0.66 -1.68 0.00 0.00 -0.04 0.00 0.00 33.50 32.44 1fr0 n PRO 741 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1fr0 n ASP 742 N 2.78 1.35 -4.76 3.54 5.75 -1.26 -4.98 116.55 118.97 1fr0 n ASP 742 Ca 0.16 -0.05 -0.41 0.00 -0.01 0.00 0.00 54.79 54.49 1fr0 n ASP 742 Cb 0.35 0.36 -0.03 0.00 -1.03 0.00 0.00 41.12 40.77 1fr0 n ASP 742 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1fr0 s LEU 743 N -0.99 4.44 0.40 -2.12 1.02 -1.12 -4.87 118.68 115.44 1fr0 s LEU 743 Ca 0.00 2.57 0.29 0.00 0.02 0.00 0.00 54.13 57.01 1fr0 s LEU 743 Cb 0.00 -3.64 1.30 0.00 0.02 0.00 0.00 46.19 43.87 1fr0 s LEU 743 CO 0.00 -0.48 1.86 1.55 0.02 0.00 0.00 176.35 179.30 1fr0 h PRO 744 N 3.91 0.00 0.00 1.29 0.13 -1.97 -2.26 132.00 133.11 1fr0 h PRO 744 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1fr0 h PRO 744 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1fr0 h PRO 744 CO 0.69 0.00 -1.66 0.00 -0.23 0.00 0.00 178.00 176.80 1fr0 n ALA 745 N -1.90 3.35 -0.01 -0.56 0.00 -1.26 -4.23 120.51 115.90 1fr0 n ALA 745 Ca 0.00 -0.52 -0.17 0.00 0.00 0.00 0.00 53.44 52.75 1fr0 n ALA 745 Cb 0.20 -0.73 -0.10 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 0.65 0.00 0.00 7.01 -1.76 -1.85 115.95 119.99 1fr0 h TRP 746 Ca 0.00 -0.33 0.00 0.00 2.11 0.00 0.00 58.89 60.67 1fr0 h TRP 746 Cb 0.81 -0.09 0.00 0.00 -2.10 0.00 0.00 29.16 27.79 1fr0 h TRP 746 CO 0.00 1.13 0.00 -1.91 -2.79 0.00 0.00 178.44 174.87 1fr0 n GLU 747 N -4.22 0.52 -0.02 2.65 2.13 -1.17 -0.61 120.64 119.93 1fr0 n GLU 747 Ca -0.09 0.04 0.04 0.00 0.66 0.00 0.00 57.16 57.80 1fr0 n GLU 747 Cb 0.65 -1.50 -0.10 0.00 0.27 0.00 0.00 31.44 30.76 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 -1.11 2.08 -0.00 4.31 2.03 -1.13 -4.56 116.55 118.17 1fr0 n ASP 748 Ca 0.14 0.00 0.06 0.00 0.52 0.00 0.00 54.79 55.50 1fr0 n ASP 748 Cb 0.11 1.41 -0.08 0.00 -0.72 0.00 0.00 41.12 41.84 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 -2.05 1.34 -0.28 1.67 0.23 -0.71 -4.55 115.26 110.91 1fr0 n ASN 749 Ca -0.06 -0.42 0.09 0.00 -0.53 0.00 0.00 54.58 53.66 1fr0 n ASN 749 Cb 0.45 1.25 0.23 0.00 -2.08 0.00 0.00 39.78 39.63 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 0.00 0.38 -0.09 3.53 2.07 -1.08 -1.19 116.25 119.87 1fr0 h VAL 750 Ca 0.00 -0.07 0.01 0.00 0.82 0.00 0.00 66.70 67.46 1fr0 h VAL 750 Cb 0.40 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 1fr0 h VAL 750 CO 0.00 0.04 -0.07 1.23 0.02 0.00 0.00 177.57 178.79 1fr0 h GLY 751 N 0.21 -2.19 1.73 2.17 0.00 -1.84 1.02 103.07 104.17 1fr0 h GLY 751 Ca 0.48 0.99 0.02 0.00 0.00 0.00 0.00 47.33 48.81 1fr0 h GLY 751 CO -0.62 -0.80 0.12 -2.09 0.00 0.00 0.00 176.54 173.16 1fr0 h GLU 752 N -0.02 0.00 -0.48 4.80 4.57 -1.72 -1.31 114.58 120.41 1fr0 h GLU 752 Ca 0.01 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.16 1fr0 h GLU 752 Cb 0.06 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.63 1fr0 h GLU 752 CO -0.10 0.00 0.16 2.35 -1.18 0.00 0.00 179.01 180.25 1fr0 h TRP 753 N 0.00 0.77 -0.08 0.92 2.91 0.22 -1.00 115.95 119.69 1fr0 h TRP 753 Ca 0.03 -0.07 -0.14 0.00 1.13 0.00 0.00 58.89 59.84 1fr0 h TRP 753 Cb 0.26 -0.22 0.01 0.00 -0.51 0.00 0.00 29.16 28.69 1fr0 h TRP 753 CO 0.00 0.67 -0.49 0.82 -1.03 0.00 0.00 178.44 178.40 1fr0 h ILE 754 N 0.65 1.39 0.60 2.65 1.08 0.08 -2.39 117.51 121.56 1fr0 h ILE 754 Ca 0.16 -1.86 -0.02 0.00 -0.39 0.00 0.00 64.86 62.75 1fr0 h ILE 754 Cb 0.25 2.29 -0.00 0.00 -3.07 0.00 0.00 36.82 36.28 1fr0 h ILE 754 CO -0.01 0.55 -0.36 -0.08 -0.69 0.00 0.00 178.15 177.56 1fr0 h GLU 755 N 0.04 -0.87 -0.85 2.37 4.81 -1.42 -0.87 114.58 117.79 1fr0 h GLU 755 Ca -0.04 0.06 0.11 0.00 -0.13 0.00 0.00 59.36 59.36 1fr0 h GLU 755 Cb 1.15 0.20 -0.06 0.00 0.63 0.00 0.00 28.75 30.67 1fr0 h GLU 755 CO 0.10 -0.58 0.55 1.49 -0.73 0.00 0.00 179.01 179.84 1fr0 h GLU 756 N -0.91 0.72 0.88 1.92 4.81 -1.28 -2.62 114.58 118.09 1fr0 h GLU 756 Ca -0.07 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.07 1fr0 h GLU 756 Cb 0.73 -0.16 0.01 0.00 0.63 0.00 0.00 28.75 29.96 1fr0 h GLU 756 CO 0.08 0.48 -0.42 1.98 -0.73 0.00 0.00 179.01 180.39 1fr0 h MET 757 N 0.74 -1.13 -0.48 1.92 4.05 -0.86 -3.23 114.93 115.94 1fr0 h MET 757 Ca 0.40 0.08 0.05 0.00 -0.28 0.00 0.00 59.70 59.95 1fr0 h MET 757 Cb 0.55 0.26 -0.08 0.00 -0.80 0.00 0.00 31.60 31.52 1fr0 h MET 757 CO -0.17 -0.76 -0.50 0.87 0.23 0.00 0.00 176.91 176.58 1fr0 h LYS 758 N -1.23 -0.27 -3.35 0.39 1.57 -0.83 -0.65 116.57 112.21 1fr0 h LYS 758 Ca -0.12 0.02 -0.69 0.00 -1.87 0.00 0.00 60.65 57.99 1fr0 h LYS 758 Cb 0.90 0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.28 1fr0 h LYS 758 CO 0.20 -0.18 3.58 -1.91 -0.57 0.00 0.00 179.45 180.57 1fr0 n GLU 759 N -5.06 3.42 0.00 3.15 4.07 -1.03 -3.81 120.64 121.38 1fr0 n GLU 759 Ca -0.02 -2.36 0.00 0.00 -0.06 0.00 0.00 57.16 54.71 1fr0 n GLU 759 Cb 0.29 -2.97 0.00 0.00 -0.06 0.00 0.00 31.44 28.70 1fr0 n GLU 759 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 1fr0 n GLU 760 N 4.44 0.00 -0.17 5.31 2.13 -0.85 -4.90 120.64 126.60 1fr0 n GLU 760 Ca 0.69 0.00 -0.02 0.00 0.66 0.00 0.00 57.16 58.50 1fr0 n GLU 760 Cb 0.29 0.00 0.07 0.00 0.27 0.00 0.00 31.44 32.07 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 -0.57 4.31 5.08 -1.24 -1.97 115.95 121.62 1fr0 h TRP 761 Ca 0.00 0.04 0.08 0.00 1.08 0.00 0.00 58.89 60.09 1fr0 h TRP 761 Cb 0.00 0.05 -0.10 0.00 -3.00 0.00 0.00 29.16 26.11 1fr0 h TRP 761 CO 0.00 -0.08 -0.46 -0.09 -1.28 0.00 0.00 178.44 176.54 1fr0 h ARG 762 N 0.17 -0.24 -0.73 0.12 2.43 -1.82 0.29 114.38 114.60 1fr0 h ARG 762 Ca 0.27 0.02 0.16 0.00 -0.81 0.00 0.00 59.98 59.61 1fr0 h ARG 762 Cb 0.39 0.05 -0.11 0.00 -0.42 0.00 0.00 29.97 29.88 1fr0 h ARG 762 CO -0.40 -0.16 0.12 1.25 -1.51 0.00 0.00 179.97 179.28 1fr0 h HIS 763 N -0.25 0.17 -0.73 2.20 2.76 -1.73 0.59 115.15 118.16 1fr0 h HIS 763 Ca 0.16 0.05 0.19 0.00 -2.20 0.00 0.00 60.37 58.56 1fr0 h HIS 763 Cb 0.56 0.04 -0.04 0.00 1.55 0.00 0.00 27.41 29.52 1fr0 h HIS 763 CO -0.72 -0.13 0.51 -0.44 -1.30 0.00 0.00 177.93 175.84 1fr0 h ASP 764 N 0.21 0.17 0.23 3.26 5.19 -0.15 -2.14 116.42 123.19 1fr0 h ASP 764 Ca 0.41 0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 56.82 1fr0 h ASP 764 Cb 0.71 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 40.20 1fr0 h ASP 764 CO -0.55 0.08 -0.11 0.58 -3.12 0.00 0.00 179.24 176.12 1fr0 h VAL 765 N 0.17 0.34 -1.34 -1.35 2.07 0.78 -2.52 116.25 114.40 1fr0 h VAL 765 Ca 0.36 -0.91 0.39 0.00 0.82 0.00 0.00 66.70 67.36 1fr0 h VAL 765 Cb 1.16 0.58 -0.05 0.00 -1.52 0.00 0.00 31.29 31.45 1fr0 h VAL 765 CO -0.06 0.09 0.98 -0.08 0.02 0.00 0.00 177.57 178.52 1fr0 h GLU 766 N -1.02 0.00 0.08 1.57 4.57 -0.95 0.36 114.58 119.19 1fr0 h GLU 766 Ca -0.03 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.14 1fr0 h GLU 766 Cb 0.39 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.98 1fr0 h GLU 766 CO 0.05 0.00 -0.04 0.28 -1.18 0.00 0.00 179.01 178.13 1fr0 h VAL 767 N 0.00 0.00 -1.03 0.32 2.07 -1.39 -2.76 116.25 113.47 1fr0 h VAL 767 Ca 0.64 -0.44 0.27 0.00 0.82 0.00 0.00 66.70 67.99 1fr0 h VAL 767 Cb 2.58 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 32.28 1fr0 h VAL 767 CO -0.01 0.00 0.70 0.17 0.02 0.00 0.00 177.57 178.45 1fr0 h LEU 768 N -0.55 0.24 0.05 2.57 8.10 -0.93 0.39 115.31 125.18 1fr0 h LEU 768 Ca -0.01 0.04 -0.00 0.00 0.11 0.00 0.00 57.88 58.02 1fr0 h LEU 768 Cb 0.08 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.30 1fr0 h LEU 768 CO 0.02 0.06 -0.02 0.50 -4.11 0.00 0.00 178.44 174.88 1fr0 h LYS 769 N 0.22 -0.06 -0.45 0.17 3.11 -1.04 -2.82 116.57 115.70 1fr0 h LYS 769 Ca 0.53 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.38 1fr0 h LYS 769 Cb 1.69 0.01 -0.02 0.00 -1.00 0.00 0.00 32.23 32.91 1fr0 h LYS 769 CO -0.15 0.24 0.29 0.00 -2.81 0.00 0.00 179.45 177.03 1fr0 h ALA 770 N 0.57 0.57 -0.57 5.00 0.00 -0.68 -1.16 119.26 122.98 1fr0 h ALA 770 Ca -0.01 -0.04 0.11 0.00 0.00 0.00 0.00 54.91 54.97 1fr0 h ALA 770 Cb 0.33 -0.18 -0.11 0.00 0.00 0.00 0.00 17.79 17.83 1fr0 h ALA 770 CO 0.01 0.03 -0.27 2.35 0.00 0.00 0.00 179.25 181.37 1fr0 h TRP 771 N 0.60 -0.72 -0.55 0.00 7.01 -1.08 2.10 115.95 123.31 1fr0 h TRP 771 Ca 0.16 0.06 -0.10 0.00 2.11 0.00 0.00 58.89 61.13 1fr0 h TRP 771 Cb -0.05 0.40 -0.02 0.00 -2.10 0.00 0.00 29.16 27.39 1fr0 h TRP 771 CO -0.04 -0.35 -0.04 0.28 -2.79 0.00 0.00 178.44 175.50 1fr0 h VAL 772 N -0.13 1.26 -0.00 2.65 2.07 -1.23 2.06 116.25 122.95 1fr0 h VAL 772 Ca 0.25 -1.17 0.00 0.00 0.82 0.00 0.00 66.70 66.60 1fr0 h VAL 772 Cb 0.52 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 1fr0 h VAL 772 CO -0.65 0.42 -0.01 0.00 0.02 0.00 0.00 177.57 177.35 1fr0 n ALA 773 N -2.49 2.46 -0.01 1.67 0.00 0.18 -3.56 120.51 118.76 1fr0 n ALA 773 Ca 0.02 -0.14 -0.01 0.00 0.00 0.00 0.00 53.44 53.32 1fr0 n ALA 773 Cb 0.36 -1.48 -0.03 0.00 0.00 0.00 0.00 19.45 18.30 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 -1.33 2.71 0.00 0.00 4.81 0.69 -4.02 118.16 121.02 1fr0 n LYS 774 Ca 0.12 -0.01 0.11 0.00 -0.87 0.00 0.00 58.31 57.67 1fr0 n LYS 774 Cb 0.27 -1.08 0.53 0.00 0.02 0.00 0.00 35.03 34.77 1fr0 n LYS 774 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1fr0 n ALA 775 N -2.00 2.11 0.00 3.14 0.00 0.69 -3.23 120.51 121.22 1fr0 n ALA 775 Ca -0.04 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1fr0 n ALA 775 Cb 0.49 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.56 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 -1.41 0.00 -3.68 0.00 5.66 -1.23 -4.97 114.28 108.65 1fr0 n THR 776 Ca 0.08 -0.38 -0.38 0.00 -3.05 0.00 0.00 64.05 60.31 1fr0 n THR 776 Cb 0.23 0.91 -0.12 0.00 -1.55 0.00 0.00 70.33 69.80 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 -1.07 3.12 0.00 1.09 2.36 -1.20 -5.11 119.74 118.93 1fr0 s LYS 777 Ca 0.00 -0.86 0.15 0.00 -2.55 0.00 0.00 55.97 52.72 1fr0 s LYS 777 Cb 0.00 -3.53 0.92 0.00 -1.05 0.00 0.00 37.83 34.17 1fr0 s LYS 777 CO 0.00 -0.49 1.33 1.63 1.55 0.00 0.00 175.35 179.37