#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fyx h ARG 637 N 0.00 -0.38 0.00 4.33 2.43 -2.10 -3.42 114.38 115.25 1fyx h ARG 637 Ca 0.00 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1fyx h ARG 637 Cb 0.00 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 1fyx h ARG 637 CO 0.00 -0.25 0.00 -1.71 -1.51 0.00 0.00 179.97 176.50 1fyx n ASN 638 N -5.40 0.00 -4.35 -3.80 2.85 -1.26 -5.29 115.26 98.01 1fyx n ASN 638 Ca -0.04 0.00 -0.46 0.00 -0.11 0.00 0.00 54.58 53.98 1fyx n ASN 638 Cb 0.31 0.00 -0.04 0.00 1.24 0.00 0.00 39.78 41.29 1fyx n ASN 638 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1fyx s ILE 639 N 0.00 5.15 -0.10 -1.44 1.01 -1.26 -5.21 121.20 119.35 1fyx s ILE 639 Ca 0.00 -1.62 -0.30 0.00 0.00 0.00 0.00 60.65 58.73 1fyx s ILE 639 Cb 0.00 -4.47 0.12 0.00 0.01 0.00 0.00 42.46 38.12 1fyx s ILE 639 CO 0.00 -1.06 0.96 -0.31 0.00 0.00 0.00 174.94 174.53 1fyx s TYR 641 N 1.65 -0.35 0.02 3.97 1.51 -0.45 -4.89 117.35 118.81 1fyx s TYR 641 Ca 0.13 0.44 -0.18 0.00 -1.01 0.00 0.00 57.07 56.44 1fyx s TYR 641 Cb -0.20 0.49 -0.24 0.00 -0.11 0.00 0.00 41.96 41.89 1fyx s TYR 641 CO -0.00 -0.42 1.11 -0.44 -1.11 0.00 0.00 175.55 174.68 1fyx h ASP 642 N 2.31 0.63 -4.96 2.29 5.19 -1.46 1.05 116.42 121.47 1fyx h ASP 642 Ca -0.19 -0.77 -0.11 0.00 -0.62 0.00 0.00 57.03 55.34 1fyx h ASP 642 Cb 1.19 -0.19 -0.20 0.00 0.18 0.00 0.00 39.33 40.31 1fyx h ASP 642 CO 0.31 1.32 -0.23 0.00 -3.12 0.00 0.00 179.24 177.51 1fyx s ALA 643 N -3.18 -0.87 -0.20 3.45 0.00 -1.23 -1.00 121.76 118.73 1fyx s ALA 643 Ca -0.12 0.43 -0.04 0.00 0.00 0.00 0.00 51.96 52.22 1fyx s ALA 643 Cb 0.04 0.06 -0.02 0.00 0.00 0.00 0.00 23.12 23.20 1fyx s ALA 643 CO 0.85 -0.27 -0.02 0.12 0.00 0.00 0.00 175.76 176.44 1fyx s PHE 644 N -1.28 3.00 -0.35 0.00 5.36 0.25 -4.43 117.98 120.52 1fyx s PHE 644 Ca -0.13 -0.60 -0.07 0.00 -0.96 0.00 0.00 56.93 55.17 1fyx s PHE 644 Cb -0.05 -2.07 0.04 0.00 -0.34 0.00 0.00 43.02 40.61 1fyx s PHE 644 CO 0.05 -0.32 0.12 0.08 -1.46 0.00 0.00 175.22 173.69 1fyx s VAL 645 N 1.08 3.83 -0.03 3.12 1.01 -1.26 0.16 120.40 128.31 1fyx s VAL 645 Ca 0.02 -1.16 -0.15 0.00 0.00 0.00 0.00 61.98 60.69 1fyx s VAL 645 Cb -0.14 -3.19 -0.05 0.00 0.00 0.00 0.00 36.38 32.99 1fyx s VAL 645 CO 0.01 -0.21 0.40 -0.55 0.00 0.00 0.00 175.10 174.75 1fyx s SER 646 N 1.47 6.75 0.25 3.32 0.15 -0.31 -1.11 113.70 124.22 1fyx s SER 646 Ca -0.01 0.89 -0.21 0.00 0.70 0.00 0.00 55.95 57.32 1fyx s SER 646 Cb -0.20 -2.25 0.06 0.00 -1.71 0.00 0.00 66.02 61.92 1fyx s SER 646 CO 0.03 0.26 0.90 -0.72 1.20 0.00 0.00 173.24 174.90 1fyx s TYR 647 N -0.69 -0.01 0.38 3.44 -0.85 -1.26 -2.13 117.35 116.22 1fyx s TYR 647 Ca 0.23 -0.45 0.07 0.00 -0.52 0.00 0.00 57.07 56.41 1fyx s TYR 647 Cb -0.16 0.73 -0.00 0.00 0.38 0.00 0.00 41.96 42.90 1fyx s TYR 647 CO 0.12 -1.13 0.49 -1.54 -1.52 0.00 0.00 175.55 171.97 1fyx s SER 648 N -3.11 5.73 0.25 -0.18 1.04 -1.26 -4.73 113.70 111.45 1fyx s SER 648 Ca 0.16 -0.34 -0.03 0.00 0.48 0.00 0.00 55.95 56.21 1fyx s SER 648 Cb -0.04 -0.92 0.31 0.00 0.10 0.00 0.00 66.02 65.47 1fyx s SER 648 CO 0.06 -0.58 1.79 -0.33 0.98 0.00 0.00 173.24 175.16 1fyx h GLU 649 N 0.82 0.93 0.00 4.02 5.08 -1.98 -2.20 114.58 121.26 1fyx h GLU 649 Ca -0.43 -0.20 -0.02 0.00 -1.00 0.00 0.00 59.36 57.71 1fyx h GLU 649 Cb 1.27 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 30.38 1fyx h GLU 649 CO 0.50 0.83 -0.12 0.00 -1.00 0.00 0.00 179.01 179.23 1fyx h ARG 650 N 0.90 0.00 -0.34 2.33 3.08 -1.98 -1.18 114.38 117.17 1fyx h ARG 650 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.24 1fyx h ARG 650 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.37 1fyx h ARG 650 CO -0.00 0.12 0.00 -0.25 -1.07 0.00 0.00 179.97 178.76 1fyx n ASP 651 N -4.13 3.14 -0.33 7.04 8.00 -0.94 -4.57 116.55 124.76 1fyx n ASP 651 Ca -0.02 -1.95 0.11 0.00 0.71 0.00 0.00 54.79 53.64 1fyx n ASP 651 Cb 0.20 -0.22 0.32 0.00 -0.02 0.00 0.00 41.12 41.39 1fyx n ASP 651 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1fyx h ALA 652 N 4.44 1.69 0.24 2.24 0.00 -0.61 -2.48 119.26 124.78 1fyx h ALA 652 Ca 0.00 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1fyx h ALA 652 Cb 0.90 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1fyx h ALA 652 CO 0.00 0.02 -0.12 -0.92 0.00 0.00 0.00 179.25 178.23 1fyx h TYR 653 N 0.81 -0.30 -0.13 0.00 3.20 -1.80 0.19 116.97 118.94 1fyx h TYR 653 Ca 0.51 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.42 1fyx h TYR 653 Cb 0.72 0.10 -0.06 0.00 1.54 0.00 0.00 36.73 39.04 1fyx h TYR 653 CO -0.00 -0.19 -0.22 2.35 -1.64 0.00 0.00 178.16 178.45 1fyx h TRP 654 N -0.33 -0.60 -0.07 -3.82 7.01 -1.80 -0.54 115.95 115.80 1fyx h TRP 654 Ca -0.03 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 60.99 1fyx h TRP 654 Cb 0.25 0.28 -0.00 0.00 -2.10 0.00 0.00 29.16 27.59 1fyx h TRP 654 CO -0.06 -0.31 0.03 0.28 -2.79 0.00 0.00 178.44 175.60 1fyx h VAL 655 N -0.29 1.11 0.00 2.65 2.07 -1.29 -0.83 116.25 119.68 1fyx h VAL 655 Ca 0.10 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.29 1fyx h VAL 655 Cb 0.43 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.41 1fyx h VAL 655 CO -0.30 0.10 0.00 -0.62 0.02 0.00 0.00 177.57 176.77 1fyx n GLU 656 N -4.97 0.39 0.00 1.57 1.02 0.66 -2.54 120.64 116.77 1fyx n GLU 656 Ca -0.06 0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1fyx n GLU 656 Cb 0.09 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.01 1fyx n GLU 656 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1fyx n ASN 657 N -1.23 0.00 -0.06 1.62 3.02 -0.23 -4.66 115.26 113.71 1fyx n ASN 657 Ca 0.12 0.00 -0.12 0.00 -0.03 0.00 0.00 54.58 54.55 1fyx n ASN 657 Cb 0.16 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.26 1fyx n ASN 657 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1fyx h LEU 658 N 0.00 -1.49 -0.52 3.41 -0.00 -1.30 -0.28 115.31 115.12 1fyx h LEU 658 Ca 0.00 0.20 -0.08 0.00 -0.00 0.00 0.00 57.88 58.00 1fyx h LEU 658 Cb 0.00 0.62 -0.02 0.00 -0.00 0.00 0.00 40.66 41.26 1fyx h LEU 658 CO 0.00 -0.42 0.01 -0.03 -0.00 0.00 0.00 178.44 178.01 1fyx h MET 659 N -0.44 0.91 -0.68 1.13 4.05 -1.39 -2.83 114.93 115.69 1fyx h MET 659 Ca 0.09 -0.28 0.01 0.00 -0.28 0.00 0.00 59.70 59.23 1fyx h MET 659 Cb 0.62 -0.09 -0.03 0.00 -0.80 0.00 0.00 31.60 31.30 1fyx h MET 659 CO -0.49 0.93 0.45 0.28 0.23 0.00 0.00 176.91 178.31 1fyx h VAL 660 N 0.78 1.17 0.00 -5.77 2.07 -1.22 -1.06 116.25 112.22 1fyx h VAL 660 Ca 0.15 -0.31 -0.07 0.00 0.82 0.00 0.00 66.70 67.29 1fyx h VAL 660 Cb 0.51 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 1fyx h VAL 660 CO 0.02 0.17 -0.32 -0.61 0.02 0.00 0.00 177.57 176.85 1fyx h GLN 661 N 0.91 0.00 -0.00 1.57 4.15 -0.94 0.16 115.11 120.96 1fyx h GLN 661 Ca 0.25 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.67 1fyx h GLN 661 Cb -0.10 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.59 1fyx h GLN 661 CO -0.06 0.32 -0.40 0.39 -1.93 0.00 0.00 178.83 177.15 1fyx n GLU 662 N -4.11 0.29 0.06 1.69 -0.58 -0.97 -3.87 120.64 113.16 1fyx n GLU 662 Ca -0.02 -0.17 0.00 0.00 -0.42 0.00 0.00 57.16 56.55 1fyx n GLU 662 Cb 0.37 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.74 1fyx n GLU 662 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1fyx n LEU 663 N -1.21 0.57 -0.01 -4.62 4.77 -0.44 -4.45 117.00 111.61 1fyx n LEU 663 Ca 0.08 0.19 -0.02 0.00 -0.03 0.00 0.00 56.01 56.23 1fyx n LEU 663 Cb 0.34 -0.09 0.23 0.00 -2.33 0.00 0.00 43.42 41.57 1fyx n LEU 663 CO 0.32 -0.71 0.84 -0.33 -1.33 0.00 0.00 177.39 176.18 1fyx h GLU 664 N 0.00 0.56 -0.65 3.23 5.08 -0.90 -1.02 114.58 120.88 1fyx h GLU 664 Ca 0.00 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1fyx h GLU 664 Cb 0.00 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.19 1fyx h GLU 664 CO 0.00 0.66 0.00 0.09 -1.00 0.00 0.00 179.01 178.76 1fyx n ASN 665 N -4.20 4.32 -3.04 1.42 3.02 -0.50 -4.43 115.26 111.84 1fyx n ASN 665 Ca 0.01 -2.37 -0.16 0.00 -0.03 0.00 0.00 54.58 52.03 1fyx n ASN 665 Cb 0.32 -0.54 0.12 0.00 -0.61 0.00 0.00 39.78 39.07 1fyx n ASN 665 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1fyx n PHE 666 N 1.06 -3.77 -3.40 3.10 7.35 -0.84 -4.90 117.46 116.06 1fyx n PHE 666 Ca 0.23 -0.59 -0.11 0.00 -0.76 0.00 0.00 57.45 56.23 1fyx n PHE 666 Cb 0.80 -0.58 -0.09 0.00 0.35 0.00 0.00 39.48 39.96 1fyx n PHE 666 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 1fyx s ASN 667 N -3.39 0.45 1.20 -2.13 2.47 -1.26 -3.21 114.94 109.07 1fyx s ASN 667 Ca 0.39 0.18 -0.14 0.00 0.42 0.00 0.00 52.86 53.71 1fyx s ASN 667 Cb -0.02 0.97 0.30 0.00 -1.45 0.00 0.00 41.25 41.04 1fyx s ASN 667 CO 0.29 -0.30 1.02 -2.16 -3.72 0.00 0.00 177.10 172.22 1fyx s PRO 668 N 2.50 -1.21 0.35 0.43 0.04 -1.26 -5.15 135.00 130.70 1fyx s PRO 668 Ca 0.11 0.67 0.05 0.00 0.04 0.00 0.00 61.00 61.87 1fyx s PRO 668 Cb -0.15 -1.53 -0.01 0.00 0.04 0.00 0.00 34.50 32.84 1fyx s PRO 668 CO -0.15 -3.87 0.51 -1.25 0.04 0.00 0.00 177.00 172.28 1fyx s PRO 669 N -4.58 3.15 0.12 0.56 0.04 -1.20 -5.00 135.00 128.08 1fyx s PRO 669 Ca 0.68 -0.84 0.02 0.00 0.04 0.00 0.00 61.00 60.90 1fyx s PRO 669 Cb -0.23 -2.76 -0.04 0.00 0.04 0.00 0.00 34.50 31.51 1fyx s PRO 669 CO 0.63 0.02 0.24 -0.06 0.04 0.00 0.00 177.00 177.88 1fyx s PHE 670 N -2.25 3.47 -0.28 0.56 0.40 -0.45 -4.98 117.98 114.45 1fyx s PHE 670 Ca 0.44 0.16 -0.08 0.00 -0.60 0.00 0.00 56.93 56.85 1fyx s PHE 670 Cb -0.10 -1.69 -0.01 0.00 0.51 0.00 0.00 43.02 41.73 1fyx s PHE 670 CO 0.33 0.54 0.11 0.15 0.70 0.00 0.00 175.22 177.05 1fyx s LYS 671 N -2.94 3.42 0.00 0.44 1.02 -1.26 -4.18 119.74 116.25 1fyx s LYS 671 Ca 0.34 -0.65 0.00 0.00 0.02 0.00 0.00 55.97 55.69 1fyx s LYS 671 Cb -0.12 -3.44 0.00 0.00 -0.52 0.00 0.00 37.83 33.76 1fyx s LYS 671 CO 0.28 -0.33 0.00 1.28 -0.92 0.00 0.00 175.35 175.66 1fyx n LEU 672 N 4.94 0.00 -3.15 3.17 4.77 -1.26 -1.11 117.00 124.36 1fyx n LEU 672 Ca -0.15 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 55.88 1fyx n LEU 672 Cb 0.50 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.58 1fyx n LEU 672 CO 0.32 0.00 0.35 -0.76 -1.33 0.00 0.00 177.39 175.98 1fyx s LEU 674 N 0.00 -0.97 0.09 2.23 1.43 -1.26 -5.03 118.68 115.17 1fyx s LEU 674 Ca 0.00 0.51 -0.11 0.00 -1.03 0.00 0.00 54.13 53.50 1fyx s LEU 674 Cb 0.00 1.77 0.05 0.00 0.03 0.00 0.00 46.19 48.04 1fyx s LEU 674 CO 0.00 -0.18 0.71 1.57 0.23 0.00 0.00 176.35 178.68 1fyx n HIS 675 N 5.42 -0.08 -1.31 0.29 -0.00 -0.26 -0.66 115.22 118.62 1fyx n HIS 675 Ca -0.02 0.57 -0.24 0.00 -0.00 0.00 0.00 57.72 58.03 1fyx n HIS 675 Cb 0.53 -0.62 0.15 0.00 -0.00 0.00 0.00 29.99 30.06 1fyx n HIS 675 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 1fyx n LYS 676 N -4.63 2.35 0.00 1.57 5.02 -1.26 -3.86 118.16 117.34 1fyx n LYS 676 Ca 0.03 -3.14 0.00 0.00 -2.02 0.00 0.00 58.31 53.18 1fyx n LYS 676 Cb 0.16 -2.17 0.00 0.00 -0.02 0.00 0.00 35.03 33.00 1fyx n LYS 676 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1fyx n ARG 677 N -1.08 1.79 0.00 1.97 0.63 0.16 -4.91 116.66 115.23 1fyx n ARG 677 Ca 0.57 0.00 0.02 0.00 -0.92 0.00 0.00 57.85 57.52 1fyx n ARG 677 Cb 1.32 -0.46 0.01 0.00 0.45 0.00 0.00 32.46 33.78 1fyx n ARG 677 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1fyx n ASP 678 N -0.34 1.24 -4.76 6.15 8.00 -0.45 -5.00 116.55 121.38 1fyx n ASP 678 Ca 0.00 -1.12 -0.41 0.00 0.71 0.00 0.00 54.79 53.97 1fyx n ASP 678 Cb 0.00 0.15 -0.02 0.00 -0.02 0.00 0.00 41.12 41.23 1fyx n ASP 678 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1fyx s PHE 679 N -0.56 2.94 0.16 1.24 2.99 -1.25 -4.95 117.98 118.54 1fyx s PHE 679 Ca 0.05 1.25 -0.30 0.00 0.00 0.00 0.00 56.93 57.94 1fyx s PHE 679 Cb 0.04 -3.79 -0.07 0.00 0.00 0.00 0.00 43.02 39.19 1fyx s PHE 679 CO 0.08 -2.33 1.16 0.42 -0.00 0.00 0.00 175.22 174.56 1fyx s ILE 680 N -0.82 3.76 0.02 0.64 -1.09 -1.26 -4.97 121.20 117.48 1fyx s ILE 680 Ca 0.53 1.45 -0.27 0.00 -2.23 0.00 0.00 60.65 60.12 1fyx s ILE 680 Cb -0.42 -3.92 -0.15 0.00 -1.58 0.00 0.00 42.46 36.39 1fyx s ILE 680 CO 0.52 0.21 1.20 -0.74 -1.23 0.00 0.00 174.94 174.90 1fyx h HIS 681 N 5.50 -0.91 -0.14 3.97 -0.00 -1.99 -3.30 115.15 118.28 1fyx h HIS 681 Ca -0.44 -0.02 0.04 0.00 -0.00 0.00 0.00 60.37 59.95 1fyx h HIS 681 Cb 1.21 0.30 -0.05 0.00 -0.00 0.00 0.00 27.41 28.88 1fyx h HIS 681 CO 0.63 -0.57 -0.17 0.78 -0.00 0.00 0.00 177.93 178.60 1fyx h GLY 682 N -1.18 -0.12 -3.15 5.26 0.00 -2.04 -3.43 103.07 98.41 1fyx h GLY 682 Ca -0.10 0.21 -0.58 0.00 0.00 0.00 0.00 47.33 46.87 1fyx h GLY 682 CO 0.17 -0.17 -0.71 1.17 0.00 0.00 0.00 176.54 177.00 1fyx n LYS 683 N -5.32 0.26 -1.79 4.80 4.81 -1.24 -4.94 118.16 114.73 1fyx n LYS 683 Ca -0.03 0.11 -0.30 0.00 -0.87 0.00 0.00 58.31 57.23 1fyx n LYS 683 Cb 0.23 -1.51 0.07 0.00 0.02 0.00 0.00 35.03 33.84 1fyx n LYS 683 CO 0.00 0.00 0.00 -1.58 1.17 0.00 0.00 177.40 176.99 1fyx s TRP 684 N -1.88 3.13 0.03 5.64 0.52 -1.26 -4.90 118.94 120.22 1fyx s TRP 684 Ca 0.62 1.03 -0.16 0.00 0.02 0.00 0.00 56.10 57.61 1fyx s TRP 684 Cb -0.40 -3.15 -0.08 0.00 -1.15 0.00 0.00 33.47 28.69 1fyx s TRP 684 CO 0.61 -1.44 1.25 0.97 0.02 0.00 0.00 176.95 178.36 1fyx h ILE 685 N -0.84 0.00 -0.34 2.03 2.10 -1.94 -1.82 117.51 116.70 1fyx h ILE 685 Ca -0.46 0.00 0.10 0.00 1.08 0.00 0.00 64.86 65.58 1fyx h ILE 685 Cb 1.27 0.00 -0.01 0.00 -1.09 0.00 0.00 36.82 36.98 1fyx h ILE 685 CO 0.63 0.00 0.29 0.16 -1.08 0.00 0.00 178.15 178.14 1fyx h ILE 686 N -0.52 0.64 -0.10 2.19 3.07 -1.99 0.69 117.51 121.49 1fyx h ILE 686 Ca -0.04 0.00 -0.12 0.00 1.55 0.00 0.00 64.86 66.25 1fyx h ILE 686 Cb 0.43 0.79 0.00 0.00 -0.27 0.00 0.00 36.82 37.77 1fyx h ILE 686 CO 0.03 0.00 -0.41 0.44 -1.05 0.00 0.00 178.15 177.17 1fyx h ASP 687 N 0.00 0.53 0.30 2.16 3.32 -1.93 -1.67 116.42 119.13 1fyx h ASP 687 Ca 0.16 -0.63 0.00 0.00 0.02 0.00 0.00 57.03 56.58 1fyx h ASP 687 Cb 0.73 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 40.10 1fyx h ASP 687 CO -0.00 1.07 -0.39 0.78 -1.72 0.00 0.00 179.24 178.98 1fyx h ASN 688 N 0.01 -1.09 0.00 6.45 2.35 -0.04 0.20 115.58 123.46 1fyx h ASN 688 Ca -0.02 0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 1fyx h ASN 688 Cb 1.05 0.38 0.00 0.00 0.05 0.00 0.00 38.32 39.80 1fyx h ASN 688 CO 0.09 -0.52 0.00 -0.38 -1.65 0.00 0.00 177.43 174.97 1fyx n ILE 689 N -5.48 0.00 -0.33 2.81 5.41 -0.39 -0.76 119.36 120.62 1fyx n ILE 689 Ca -0.09 1.08 0.22 0.00 1.00 0.00 0.00 62.75 64.95 1fyx n ILE 689 Cb 0.38 -1.93 0.41 0.00 -0.71 0.00 0.00 39.64 37.79 1fyx n ILE 689 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 1fyx n ILE 690 N -0.91 -0.42 -0.06 1.39 -0.00 -0.63 -0.94 119.36 117.80 1fyx n ILE 690 Ca 0.00 2.11 -0.12 0.00 -0.00 0.00 0.00 62.75 64.74 1fyx n ILE 690 Cb 0.00 -3.21 -0.06 0.00 -0.00 0.00 0.00 39.64 36.37 1fyx n ILE 690 CO 0.00 0.00 0.00 0.44 -0.00 0.00 0.00 176.55 176.99 1fyx h ASP 691 N 0.00 0.32 0.67 4.38 3.32 -0.47 -1.54 116.42 123.10 1fyx h ASP 691 Ca 0.70 -0.33 -0.03 0.00 0.02 0.00 0.00 57.03 57.39 1fyx h ASP 691 Cb 1.63 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 41.09 1fyx h ASP 691 CO -0.86 0.58 -0.43 0.28 -1.72 0.00 0.00 179.24 177.09 1fyx h SER 692 N 0.06 -1.08 -0.81 6.45 0.02 0.92 -0.52 113.55 118.59 1fyx h SER 692 Ca 0.05 0.06 0.16 0.00 -0.84 0.00 0.00 61.79 61.22 1fyx h SER 692 Cb 0.42 0.32 -0.15 0.00 0.14 0.00 0.00 62.40 63.13 1fyx h SER 692 CO 0.01 -0.66 -0.23 0.40 -1.14 0.00 0.00 176.83 175.21 1fyx h ILE 693 N -1.04 0.16 0.00 3.27 2.04 -1.25 0.16 117.51 120.85 1fyx h ILE 693 Ca -0.08 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.71 1fyx h ILE 693 Cb 0.84 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 1fyx h ILE 693 CO 0.08 0.00 -0.31 -0.33 0.00 0.00 0.00 178.15 177.58 1fyx h GLU 694 N -0.02 0.00 -0.01 2.37 5.08 -1.01 -3.01 114.58 117.98 1fyx h GLU 694 Ca 0.37 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.73 1fyx h GLU 694 Cb 0.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1fyx h GLU 694 CO -0.84 0.31 -0.15 1.63 -1.00 0.00 0.00 179.01 178.96 1fyx n LYS 695 N -3.63 0.92 -5.03 2.33 5.02 0.47 -4.86 118.16 113.37 1fyx n LYS 695 Ca -0.01 -0.45 -0.31 0.00 -2.02 0.00 0.00 58.31 55.52 1fyx n LYS 695 Cb 0.43 -1.49 -0.15 0.00 -0.02 0.00 0.00 35.03 33.80 1fyx n LYS 695 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1fyx s SER 696 N -2.39 3.36 0.33 4.39 1.04 -0.74 -1.35 113.70 118.33 1fyx s SER 696 Ca 0.29 -0.45 0.04 0.00 0.48 0.00 0.00 55.95 56.31 1fyx s SER 696 Cb 0.20 -0.45 0.64 0.00 0.10 0.00 0.00 66.02 66.51 1fyx s SER 696 CO 0.47 0.30 1.91 0.45 0.98 0.00 0.00 173.24 177.35 1fyx h HIS 697 N 5.13 0.94 -4.11 5.02 3.86 0.11 -3.45 115.15 122.65 1fyx h HIS 697 Ca -0.45 0.02 -0.11 0.00 -1.16 0.00 0.00 60.37 58.67 1fyx h HIS 697 Cb 1.14 -0.31 -0.15 0.00 1.06 0.00 0.00 27.41 29.15 1fyx h HIS 697 CO 0.45 0.46 -0.61 0.15 0.86 0.00 0.00 177.93 179.25 1fyx s LYS 698 N -5.81 0.65 -0.17 2.45 1.02 -0.17 -4.98 119.74 112.73 1fyx s LYS 698 Ca -0.11 -1.12 -0.02 0.00 0.02 0.00 0.00 55.97 54.75 1fyx s LYS 698 Cb 0.20 0.24 -0.01 0.00 -0.52 0.00 0.00 37.83 37.74 1fyx s LYS 698 CO 0.79 -0.14 -0.10 0.99 -0.92 0.00 0.00 175.35 175.97 1fyx s THR 699 N -3.75 3.10 -0.20 2.17 2.01 -1.26 0.84 115.64 118.56 1fyx s THR 699 Ca 0.05 -0.61 -0.04 0.00 0.31 0.00 0.00 61.69 61.40 1fyx s THR 699 Cb 0.06 -2.35 -0.02 0.00 0.01 0.00 0.00 72.50 70.20 1fyx s THR 699 CO -0.10 0.49 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.59 1fyx s VAL 700 N 0.89 3.53 -0.22 3.82 1.01 0.12 -1.29 120.40 128.27 1fyx s VAL 700 Ca -0.02 -0.45 -0.10 0.00 0.00 0.00 0.00 61.98 61.41 1fyx s VAL 700 Cb -0.15 -2.59 -0.05 0.00 0.00 0.00 0.00 36.38 33.60 1fyx s VAL 700 CO 0.00 0.44 0.13 -0.36 0.00 0.00 0.00 175.10 175.31 1fyx s PHE 701 N 1.12 3.30 -0.85 5.22 0.40 -0.03 -1.16 117.98 125.98 1fyx s PHE 701 Ca 0.02 0.16 -0.14 0.00 -0.60 0.00 0.00 56.93 56.37 1fyx s PHE 701 Cb -0.15 -2.21 0.21 0.00 0.51 0.00 0.00 43.02 41.38 1fyx s PHE 701 CO -0.00 0.08 0.83 0.08 0.70 0.00 0.00 175.22 176.91 1fyx s VAL 702 N 0.87 5.52 0.19 -0.44 1.01 -0.90 -0.63 120.40 126.01 1fyx s VAL 702 Ca 0.07 -2.40 -0.30 0.00 0.00 0.00 0.00 61.98 59.35 1fyx s VAL 702 Cb -0.13 -4.51 -0.08 0.00 0.00 0.00 0.00 36.38 31.66 1fyx s VAL 702 CO 0.03 -1.09 1.15 -0.76 0.00 0.00 0.00 175.10 174.43 1fyx s LEU 703 N 0.43 4.47 0.24 3.92 1.43 0.14 -4.70 118.68 124.60 1fyx s LEU 703 Ca 0.20 2.18 -0.22 0.00 -1.03 0.00 0.00 54.13 55.27 1fyx s LEU 703 Cb -0.09 -3.61 0.04 0.00 0.03 0.00 0.00 46.19 42.56 1fyx s LEU 703 CO -0.09 -0.30 0.71 -0.94 0.23 0.00 0.00 176.35 175.96 1fyx s SER 704 N -0.03 -0.33 0.10 2.29 1.04 -1.26 -0.64 113.70 114.87 1fyx s SER 704 Ca 0.51 -0.44 -0.34 0.00 0.48 0.00 0.00 55.95 56.16 1fyx s SER 704 Cb -0.31 0.67 -0.15 0.00 0.10 0.00 0.00 66.02 66.33 1fyx s SER 704 CO 0.36 -1.21 1.54 -0.33 0.98 0.00 0.00 173.24 174.59 1fyx h GLU 705 N 2.00 -0.79 -0.91 4.02 4.39 -1.88 -1.21 114.58 120.20 1fyx h GLU 705 Ca -0.23 0.05 0.14 0.00 0.34 0.00 0.00 59.36 59.66 1fyx h GLU 705 Cb 1.26 0.18 -0.07 0.00 -0.10 0.00 0.00 28.75 30.02 1fyx h GLU 705 CO 0.27 -0.53 0.59 -2.95 -1.16 0.00 0.00 179.01 175.23 1fyx h ASN 706 N -0.82 0.71 -0.14 1.42 -1.07 -1.97 -1.14 115.58 112.56 1fyx h ASN 706 Ca -0.02 0.04 -0.10 0.00 0.07 0.00 0.00 56.30 56.29 1fyx h ASN 706 Cb 0.78 -0.10 -0.01 0.00 -2.07 0.00 0.00 38.32 36.92 1fyx h ASN 706 CO -0.21 0.36 -0.23 0.15 0.07 0.00 0.00 177.43 177.57 1fyx h PHE 707 N 0.75 0.66 0.48 4.14 3.57 -1.72 -1.23 116.94 123.59 1fyx h PHE 707 Ca 0.46 -0.14 -0.02 0.00 3.53 0.00 0.00 57.97 61.80 1fyx h PHE 707 Cb 0.68 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.26 1fyx h PHE 707 CO -0.00 0.77 -0.23 0.28 -2.23 0.00 0.00 178.31 176.90 1fyx h VAL 708 N 0.52 0.48 -0.04 1.41 2.07 -0.03 0.14 116.25 120.79 1fyx h VAL 708 Ca 0.08 -0.29 0.01 0.00 0.82 0.00 0.00 66.70 67.31 1fyx h VAL 708 Cb 0.68 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 1fyx h VAL 708 CO 0.05 0.05 -0.01 0.11 0.02 0.00 0.00 177.57 177.78 1fyx h LYS 709 N -0.83 -0.01 0.00 1.57 1.57 -1.40 -2.96 116.57 114.51 1fyx h LYS 709 Ca -0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1fyx h LYS 709 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.88 1fyx h LYS 709 CO 0.11 -0.00 -0.48 -1.13 -0.57 0.00 0.00 179.45 177.37 1fyx n SER 710 N -5.12 0.67 0.00 0.86 3.41 -0.47 -4.65 113.62 108.33 1fyx n SER 710 Ca -0.06 0.18 0.00 0.00 -0.26 0.00 0.00 58.87 58.73 1fyx n SER 710 Cb 0.06 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 63.98 1fyx n SER 710 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1fyx n GLU 711 N -2.06 2.76 -0.08 4.33 -0.58 0.43 -5.04 120.64 120.40 1fyx n GLU 711 Ca 0.04 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.78 1fyx n GLU 711 Cb 0.42 -0.25 0.00 0.00 -0.57 0.00 0.00 31.44 31.04 1fyx n GLU 711 CO 0.00 0.00 0.00 1.87 -0.48 0.00 0.00 177.13 178.52 1fyx n TRP 712 N -0.07 0.00 0.00 -0.32 -0.00 -0.88 -4.48 117.44 111.70 1fyx n TRP 712 Ca 0.00 -0.19 0.00 0.00 -0.00 0.00 0.00 57.50 57.31 1fyx n TRP 712 Cb 0.00 -0.26 0.00 0.00 -0.00 0.00 0.00 31.31 31.05 1fyx n TRP 712 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 177.69 179.32 1fyx n LYS 714 N 1.67 0.00 0.05 5.87 5.02 -1.26 -3.17 118.16 126.34 1fyx n LYS 714 Ca 0.00 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.41 1fyx n LYS 714 Cb 0.11 0.00 0.18 0.00 -0.02 0.00 0.00 35.03 35.30 1fyx n LYS 714 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1fyx n TYR 715 N 0.00 0.48 0.00 2.13 4.02 -1.26 -4.26 117.16 118.27 1fyx n TYR 715 Ca 0.00 0.14 0.00 0.00 -0.01 0.00 0.00 57.90 58.03 1fyx n TYR 715 Cb 0.00 -0.60 0.00 0.00 -0.02 0.00 0.00 39.34 38.72 1fyx n TYR 715 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 1fyx n GLU 716 N -2.03 0.00 -2.78 -0.72 -0.58 -1.19 -4.65 120.64 108.68 1fyx n GLU 716 Ca 0.03 0.38 -0.43 0.00 -0.42 0.00 0.00 57.16 56.72 1fyx n GLU 716 Cb 0.43 -1.07 -0.03 0.00 -0.57 0.00 0.00 31.44 30.20 1fyx n GLU 716 CO 0.00 0.00 0.00 -0.48 -0.48 0.00 0.00 177.13 176.17 1fyx s LEU 717 N -3.25 3.99 0.44 -4.62 2.34 -1.26 -4.96 118.68 111.36 1fyx s LEU 717 Ca 0.00 0.71 0.05 0.00 0.06 0.00 0.00 54.13 54.95 1fyx s LEU 717 Cb 0.00 -3.31 -0.06 0.00 -0.56 0.00 0.00 46.19 42.27 1fyx s LEU 717 CO 0.00 -0.83 0.04 -0.62 -1.06 0.00 0.00 176.35 173.88 1fyx s ASP 718 N 1.79 4.03 -0.01 1.48 -1.08 -1.26 -4.79 116.67 116.83 1fyx s ASP 718 Ca 0.39 -1.41 -0.08 0.00 -0.52 0.00 0.00 52.55 50.92 1fyx s ASP 718 Cb -0.12 -0.13 0.01 0.00 -1.46 0.00 0.00 42.92 41.21 1fyx s ASP 718 CO 0.17 -0.59 0.18 0.12 0.52 0.00 0.00 175.17 175.57 1fyx s PHE 719 N -2.75 -0.04 0.00 -5.34 5.36 -1.26 -5.05 117.98 108.91 1fyx s PHE 719 Ca 0.28 0.04 0.00 0.00 -0.96 0.00 0.00 56.93 56.29 1fyx s PHE 719 Cb 0.07 -0.00 0.00 0.00 -0.34 0.00 0.00 43.02 42.74 1fyx s PHE 719 CO 0.14 -0.28 0.00 -1.13 -1.46 0.00 0.00 175.22 172.50 1fyx n SER 720 N 1.66 0.00 0.00 6.13 3.41 -1.26 -4.53 113.62 119.03 1fyx n SER 720 Ca -0.21 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.40 1fyx n SER 720 Cb 0.56 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.51 1fyx n SER 720 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1fyx n HIS 721 N 0.00 0.00 -3.20 7.33 8.25 -1.26 -4.93 115.22 121.41 1fyx n HIS 721 Ca 0.00 0.00 -0.46 0.00 -0.26 0.00 0.00 57.72 57.00 1fyx n HIS 721 Cb 0.00 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.09 1fyx n HIS 721 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1fyx s PHE 722 N -1.38 3.61 -0.82 4.41 0.40 -1.26 -4.85 117.98 118.09 1fyx s PHE 722 Ca 0.00 -1.88 0.00 0.00 -0.60 0.00 0.00 56.93 54.45 1fyx s PHE 722 Cb 0.00 -3.97 0.00 0.00 0.51 0.00 0.00 43.02 39.56 1fyx s PHE 722 CO 0.00 -1.15 0.63 0.54 0.70 0.00 0.00 175.22 175.94 1fyx n ARG 723 N 4.68 0.00 0.00 0.44 1.74 -1.26 0.18 116.66 122.43 1fyx n ARG 723 Ca 0.18 0.20 0.02 0.00 -0.77 0.00 0.00 57.85 57.48 1fyx n ARG 723 Cb 0.47 -1.63 0.00 0.00 -1.02 0.00 0.00 32.46 30.28 1fyx n ARG 723 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1fyx n LEU 724 N -1.13 0.90 -1.94 0.55 4.77 -1.26 -5.10 117.00 113.79 1fyx n LEU 724 Ca 0.00 -0.80 0.00 0.00 -0.03 0.00 0.00 56.01 55.18 1fyx n LEU 724 Cb 0.13 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 1fyx n LEU 724 CO 0.00 0.20 -0.40 0.49 -1.33 0.00 0.00 177.39 176.35 1fyx n PHE 725 N -0.28 -4.01 0.28 -1.77 3.01 0.46 -4.36 117.46 110.80 1fyx n PHE 725 Ca 0.02 2.40 0.08 0.00 1.01 0.00 0.00 57.45 60.96 1fyx n PHE 725 Cb 0.09 -3.45 0.44 0.00 -0.01 0.00 0.00 39.48 36.55 1fyx n PHE 725 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 1fyx h ASP 726 N 3.50 0.00 0.43 4.37 3.32 -1.92 0.22 116.42 126.34 1fyx h ASP 726 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1fyx h ASP 726 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1fyx h ASP 726 CO 0.00 0.00 0.00 1.05 -1.72 0.00 0.00 179.24 178.57 1fyx h GLU 727 N 0.00 0.00 0.00 3.56 4.11 -1.98 -2.46 114.58 117.82 1fyx h GLU 727 Ca 0.00 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.37 1fyx h GLU 727 Cb 1.07 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.18 1fyx h GLU 727 CO 0.00 0.00 -0.63 0.27 0.07 0.00 0.00 179.01 178.72 1fyx n ASN 728 N -2.60 0.80 -3.54 3.06 0.23 0.06 -4.84 115.26 108.43 1fyx n ASN 728 Ca -0.00 -2.32 -0.34 0.00 -0.53 0.00 0.00 54.58 51.39 1fyx n ASN 728 Cb 0.16 -0.30 -0.03 0.00 -2.08 0.00 0.00 39.78 37.53 1fyx n ASN 728 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1fyx n ASN 729 N -0.10 5.27 0.00 0.53 5.03 -0.92 -4.84 115.26 120.22 1fyx n ASN 729 Ca 0.06 -3.52 0.00 0.00 0.87 0.00 0.00 54.58 51.99 1fyx n ASN 729 Cb 0.85 -0.91 0.00 0.00 -1.02 0.00 0.00 39.78 38.70 1fyx n ASN 729 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 1fyx n ASP 730 N 0.64 0.00 -1.21 6.41 10.43 -1.26 -4.75 116.55 126.81 1fyx n ASP 730 Ca 0.32 0.00 0.03 0.00 2.57 0.00 0.00 54.79 57.70 1fyx n ASP 730 Cb 0.36 -0.56 -0.02 0.00 1.84 0.00 0.00 41.12 42.74 1fyx n ASP 730 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1fyx n ALA 731 N 0.62 -1.91 -2.14 2.24 0.00 -1.26 -4.93 120.51 113.15 1fyx n ALA 731 Ca 0.00 0.45 -0.31 0.00 0.00 0.00 0.00 53.44 53.59 1fyx n ALA 731 Cb 0.00 -1.25 -0.03 0.00 0.00 0.00 0.00 19.45 18.16 1fyx n ALA 731 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1fyx s ALA 732 N -4.89 3.31 -0.29 0.00 0.00 -1.26 -4.78 121.76 113.84 1fyx s ALA 732 Ca 0.00 -0.13 -0.14 0.00 0.00 0.00 0.00 51.96 51.68 1fyx s ALA 732 Cb 0.00 -2.76 -0.03 0.00 0.00 0.00 0.00 23.12 20.33 1fyx s ALA 732 CO 0.00 -0.01 0.34 0.42 0.00 0.00 0.00 175.76 176.52 1fyx s ILE 733 N -2.37 5.19 -0.15 0.00 1.01 -0.41 -5.00 121.20 119.47 1fyx s ILE 733 Ca 0.52 0.36 -0.06 0.00 0.00 0.00 0.00 60.65 61.48 1fyx s ILE 733 Cb -0.10 -3.71 -0.04 0.00 0.01 0.00 0.00 42.46 38.62 1fyx s ILE 733 CO 0.30 0.10 0.06 -0.76 0.00 0.00 0.00 174.94 174.64 1fyx s LEU 734 N 2.01 3.84 -0.11 2.97 1.43 -1.26 -0.85 118.68 126.71 1fyx s LEU 734 Ca 0.13 0.15 0.03 0.00 -1.03 0.00 0.00 54.13 53.41 1fyx s LEU 734 Cb -0.16 -1.94 -0.00 0.00 0.03 0.00 0.00 46.19 44.11 1fyx s LEU 734 CO 0.11 0.26 -0.21 -0.63 0.23 0.00 0.00 176.35 176.10 1fyx s ILE 735 N -0.13 2.28 -0.56 -0.59 1.01 0.20 -1.08 121.20 122.33 1fyx s ILE 735 Ca 0.07 -0.94 -0.14 0.00 0.00 0.00 0.00 60.65 59.64 1fyx s ILE 735 Cb -0.12 -1.89 0.14 0.00 0.01 0.00 0.00 42.46 40.59 1fyx s ILE 735 CO 0.01 0.55 0.49 -0.22 0.00 0.00 0.00 174.94 175.78 1fyx s LEU 736 N 0.39 6.12 0.27 2.97 2.96 -0.40 0.25 118.68 131.23 1fyx s LEU 736 Ca -0.16 -1.95 0.01 0.00 -0.22 0.00 0.00 54.13 51.81 1fyx s LEU 736 Cb -0.17 -2.15 0.36 0.00 0.50 0.00 0.00 46.19 44.72 1fyx s LEU 736 CO 0.07 -0.78 1.71 0.25 -1.32 0.00 0.00 176.35 176.29 1fyx h LEU 737 N 8.62 0.58 -8.31 -0.68 5.85 -1.16 -0.62 115.31 119.59 1fyx h LEU 737 Ca -0.23 -0.19 -0.13 0.00 0.84 0.00 0.00 57.88 58.18 1fyx h LEU 737 Cb 1.08 -0.16 -0.12 0.00 0.37 0.00 0.00 40.66 41.84 1fyx h LEU 737 CO 0.96 0.79 -0.33 -1.83 -0.34 0.00 0.00 178.44 177.69 1fyx s GLU 738 N -4.59 1.34 0.70 1.25 -1.05 -1.25 -4.60 118.70 110.50 1fyx s GLU 738 Ca -0.08 -1.35 -0.13 0.00 -0.15 0.00 0.00 54.97 53.26 1fyx s GLU 738 Cb 0.14 0.38 0.02 0.00 -0.44 0.00 0.00 34.13 34.23 1fyx s GLU 738 CO 0.80 -0.51 1.10 -1.25 0.95 0.00 0.00 175.26 176.36 1fyx s PRO 739 N -4.05 2.62 -0.08 -4.83 0.04 -1.26 -4.75 135.00 122.69 1fyx s PRO 739 Ca 0.26 1.31 -0.01 0.00 0.04 0.00 0.00 61.00 62.60 1fyx s PRO 739 Cb 0.03 -1.93 0.03 0.00 0.04 0.00 0.00 34.50 32.66 1fyx s PRO 739 CO 0.08 -1.38 -0.02 0.42 0.04 0.00 0.00 177.00 176.13 1fyx s ILE 740 N -2.54 0.56 -0.66 0.56 1.01 -1.26 -4.52 121.20 114.35 1fyx s ILE 740 Ca 0.65 -0.01 -0.26 0.00 0.00 0.00 0.00 60.65 61.02 1fyx s ILE 740 Cb -0.19 -0.66 -0.04 0.00 0.01 0.00 0.00 42.46 41.57 1fyx s ILE 740 CO 0.47 0.28 2.01 -0.70 0.00 0.00 0.00 174.94 177.00 1fyx s GLU 741 N 1.75 2.45 0.36 2.79 2.56 -1.26 -4.79 118.70 122.56 1fyx s GLU 741 Ca 0.02 0.57 0.27 0.00 0.00 0.00 0.00 54.97 55.84 1fyx s GLU 741 Cb -0.13 -4.58 1.24 0.00 2.00 0.00 0.00 34.13 32.66 1fyx s GLU 741 CO -0.05 -3.06 1.80 1.57 -0.56 0.00 0.00 175.26 174.96 1fyx h LYS 742 N 14.98 0.00 -0.73 4.30 2.10 -1.98 -1.32 116.57 133.92 1fyx h LYS 742 Ca -0.17 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.45 1fyx h LYS 742 Cb 1.14 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.44 1fyx h LYS 742 CO 1.19 0.00 0.34 0.87 -2.00 0.00 0.00 179.45 179.86 1fyx h LYS 743 N 0.00 1.06 0.00 0.07 1.57 -1.97 -2.34 116.57 114.96 1fyx h LYS 743 Ca 0.00 -0.16 -0.11 0.00 -1.87 0.00 0.00 60.65 58.51 1fyx h LYS 743 Cb 0.25 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 1fyx h LYS 743 CO 0.00 0.84 -0.53 0.00 -0.57 0.00 0.00 179.45 179.19 1fyx h ALA 744 N 1.17 0.87 -1.94 3.86 0.00 -1.64 -3.44 119.26 118.14 1fyx h ALA 744 Ca 0.25 -0.48 -0.62 0.00 0.00 0.00 0.00 54.91 54.06 1fyx h ALA 744 Cb 0.14 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.86 1fyx h ALA 744 CO -0.03 0.66 1.14 -0.89 0.00 0.00 0.00 179.25 180.14 1fyx n ILE 745 N -3.54 0.54 0.00 0.00 5.41 -0.88 -4.88 119.36 116.00 1fyx n ILE 745 Ca -0.00 -0.13 0.00 0.00 1.00 0.00 0.00 62.75 63.61 1fyx n ILE 745 Cb 0.62 -1.88 0.00 0.00 -0.71 0.00 0.00 39.64 37.66 1fyx n ILE 745 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1fyx n PRO 746 N 6.87 0.00 0.00 0.38 -0.02 -1.26 -4.88 135.00 136.10 1fyx n PRO 746 Ca 0.25 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 1fyx n PRO 746 Cb 0.29 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.77 1fyx n PRO 746 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 1fyx n GLN 747 N 0.00 0.00 0.00 -0.52 -0.06 -1.26 -4.88 117.38 110.66 1fyx n GLN 747 Ca 0.00 0.00 0.13 0.00 -2.00 0.00 0.00 57.00 55.13 1fyx n GLN 747 Cb 0.00 0.00 0.50 0.00 -4.06 0.00 0.00 30.24 26.68 1fyx n GLN 747 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 1fyx n ARG 748 N 0.00 0.01 -2.92 3.69 1.74 -1.26 -5.02 116.66 112.90 1fyx n ARG 748 Ca 0.00 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.68 1fyx n ARG 748 Cb 0.00 -1.51 -0.05 0.00 -1.02 0.00 0.00 32.46 29.88 1fyx n ARG 748 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1fyx s PHE 749 N -3.00 3.78 0.00 -1.55 2.99 -1.26 -5.01 117.98 113.92 1fyx s PHE 749 Ca 0.13 1.58 0.00 0.00 0.00 0.00 0.00 56.93 58.64 1fyx s PHE 749 Cb 0.18 -2.88 0.00 0.00 0.00 0.00 0.00 43.02 40.33 1fyx s PHE 749 CO 0.58 0.28 0.00 1.63 -0.00 0.00 0.00 175.22 177.72 1fyx n LYS 751 N 2.67 0.00 -0.00 0.44 5.02 -1.26 -1.31 118.16 123.72 1fyx n LYS 751 Ca -0.02 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.16 1fyx n LYS 751 Cb 0.50 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.46 1fyx n LYS 751 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1fyx h LEU 752 N 0.00 -1.13 -0.82 -0.35 5.85 -1.96 -1.28 115.31 115.62 1fyx h LEU 752 Ca 0.00 0.16 0.16 0.00 0.84 0.00 0.00 57.88 59.04 1fyx h LEU 752 Cb 0.00 0.47 -0.10 0.00 0.37 0.00 0.00 40.66 41.40 1fyx h LEU 752 CO 0.00 -0.39 0.35 0.03 -0.34 0.00 0.00 178.44 178.10 1fyx h ARG 753 N -0.43 0.46 0.11 1.25 3.08 -1.61 -0.73 114.38 116.51 1fyx h ARG 753 Ca 0.09 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.11 1fyx h ARG 753 Cb 0.58 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 1fyx h ARG 753 CO -0.38 0.30 -0.19 -0.22 -1.07 0.00 0.00 179.97 178.41 1fyx h LYS 754 N 0.47 -0.31 -0.33 0.04 3.64 -1.53 -1.53 116.57 117.02 1fyx h LYS 754 Ca 0.46 0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.90 1fyx h LYS 754 Cb 0.75 0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.60 1fyx h LYS 754 CO -0.43 -0.21 -0.20 -0.89 -2.27 0.00 0.00 179.45 175.46 1fyx n ILE 755 N -3.52 -0.23 -0.16 2.00 2.08 -0.41 0.42 119.36 119.55 1fyx n ILE 755 Ca -0.04 1.10 -0.03 0.00 0.56 0.00 0.00 62.75 64.33 1fyx n ILE 755 Cb 0.16 -1.38 0.03 0.00 -0.75 0.00 0.00 39.64 37.70 1fyx n ILE 755 CO 0.00 0.00 0.00 0.24 0.56 0.00 0.00 176.55 177.35 1fyx h MET 756 N 0.00 -0.06 0.56 0.38 2.86 -0.91 -0.92 114.93 116.85 1fyx h MET 756 Ca 0.05 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.67 1fyx h MET 756 Cb 0.14 0.01 0.01 0.00 0.06 0.00 0.00 31.60 31.82 1fyx h MET 756 CO -0.31 -0.04 -0.27 -0.91 1.06 0.00 0.00 176.91 176.44 1fyx h ASN 757 N -0.06 -0.64 -0.12 1.22 2.35 0.10 -1.62 115.58 116.81 1fyx h ASN 757 Ca 0.24 -0.03 0.04 0.00 -0.55 0.00 0.00 56.30 55.99 1fyx h ASN 757 Cb 0.43 0.17 -0.00 0.00 0.05 0.00 0.00 38.32 38.96 1fyx h ASN 757 CO -0.55 -0.35 0.79 0.74 -1.65 0.00 0.00 177.43 176.40 1fyx h THR 758 N -0.91 0.02 -6.87 2.81 2.02 -0.08 -3.43 112.91 106.47 1fyx h THR 758 Ca -0.08 0.00 -0.57 0.00 0.77 0.00 0.00 66.41 66.53 1fyx h THR 758 Cb 0.63 0.24 -0.17 0.00 -1.74 0.00 0.00 68.15 67.11 1fyx h THR 758 CO 0.13 0.00 -0.93 0.29 0.37 0.00 0.00 175.52 175.38 1fyx n LYS 759 N -2.76 -1.90 -3.95 6.66 5.02 -0.38 -4.91 118.16 115.94 1fyx n LYS 759 Ca 0.02 0.22 -0.35 0.00 -2.02 0.00 0.00 58.31 56.19 1fyx n LYS 759 Cb 0.84 -4.12 -0.14 0.00 -0.02 0.00 0.00 35.03 31.59 1fyx n LYS 759 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1fyx s THR 760 N -4.06 2.89 0.00 -0.18 -4.23 -1.24 -5.04 115.64 103.78 1fyx s THR 760 Ca 0.13 -1.17 0.00 0.00 -1.18 0.00 0.00 61.69 59.47 1fyx s THR 760 Cb -0.07 -2.54 0.00 0.00 1.34 0.00 0.00 72.50 71.22 1fyx s THR 760 CO 0.96 0.09 0.00 0.00 -0.54 0.00 0.00 174.62 175.13 1fyx n TYR 761 N 4.65 0.00 -3.01 3.99 0.18 -1.26 -4.78 117.16 116.92 1fyx n TYR 761 Ca -0.15 0.00 -0.43 0.00 1.88 0.00 0.00 57.90 59.20 1fyx n TYR 761 Cb 0.46 0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 39.36 1fyx n TYR 761 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 1fyx s LEU 762 N 0.00 4.41 -0.13 -3.48 1.43 -0.24 -4.88 118.68 115.79 1fyx s LEU 762 Ca 0.00 -0.36 -0.29 0.00 -1.03 0.00 0.00 54.13 52.45 1fyx s LEU 762 Cb 0.00 -2.79 -0.01 0.00 0.03 0.00 0.00 46.19 43.42 1fyx s LEU 762 CO 0.00 -0.94 1.03 -0.70 0.23 0.00 0.00 176.35 175.97 1fyx s GLU 763 N 3.20 4.38 -0.33 1.70 2.12 -1.26 -1.28 118.70 127.24 1fyx s GLU 763 Ca 0.26 1.41 -0.29 0.00 0.36 0.00 0.00 54.97 56.71 1fyx s GLU 763 Cb -0.14 -3.56 -0.01 0.00 0.26 0.00 0.00 34.13 30.68 1fyx s GLU 763 CO 0.19 -0.39 1.62 -0.46 -0.54 0.00 0.00 175.26 175.69 1fyx s TRP 764 N 2.27 2.08 0.29 5.30 -0.11 -0.24 -4.94 118.94 123.59 1fyx s TRP 764 Ca 0.48 0.63 -0.30 0.00 1.22 0.00 0.00 56.10 58.13 1fyx s TRP 764 Cb -0.18 -4.15 -0.11 0.00 -1.50 0.00 0.00 33.47 27.53 1fyx s TRP 764 CO 0.16 -2.62 1.51 -1.25 -4.62 0.00 0.00 176.95 170.14 1fyx s PRO 765 N 5.16 4.18 0.18 5.86 0.04 -1.26 -4.86 135.00 144.31 1fyx s PRO 765 Ca 0.72 2.46 -0.03 0.00 0.04 0.00 0.00 61.00 64.19 1fyx s PRO 765 Cb -0.20 -3.05 0.09 0.00 0.04 0.00 0.00 34.50 31.38 1fyx s PRO 765 CO 0.32 -0.52 1.47 0.52 0.04 0.00 0.00 177.00 178.83 1fyx h MET 766 N 4.62 0.50 -6.30 4.56 2.86 -1.97 -3.42 114.93 115.78 1fyx h MET 766 Ca -0.47 -0.35 -0.58 0.00 -2.06 0.00 0.00 59.70 56.24 1fyx h MET 766 Cb 1.22 0.05 -0.08 0.00 0.06 0.00 0.00 31.60 32.86 1fyx h MET 766 CO 0.76 0.97 0.74 0.34 1.06 0.00 0.00 176.91 180.78 1fyx s ASP 767 N -6.95 6.71 0.65 1.22 2.15 -1.26 -4.89 116.67 114.30 1fyx s ASP 767 Ca -0.07 0.62 0.37 0.00 0.43 0.00 0.00 52.55 53.90 1fyx s ASP 767 Cb 0.11 -2.50 2.06 0.00 -0.30 0.00 0.00 42.92 42.29 1fyx s ASP 767 CO 0.84 -0.98 2.21 -0.33 -0.17 0.00 0.00 175.17 176.75 1fyx h GLU 768 N 8.63 0.00 0.00 4.34 5.08 -2.03 0.14 114.58 130.74 1fyx h GLU 768 Ca -0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 1fyx h GLU 768 Cb 1.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.32 1fyx h GLU 768 CO 1.03 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 179.04 1fyx h ALA 769 N 1.81 1.00 -0.41 3.43 0.00 -1.95 -3.10 119.26 120.04 1fyx h ALA 769 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1fyx h ALA 769 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1fyx h ALA 769 CO -0.00 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.29 1fyx n GLN 770 N -2.49 2.44 0.12 0.00 6.02 0.51 -4.52 117.38 119.46 1fyx n GLN 770 Ca 0.03 -2.14 -0.02 0.00 -0.01 0.00 0.00 57.00 54.85 1fyx n GLN 770 Cb 0.30 -1.39 0.08 0.00 1.02 0.00 0.00 30.24 30.24 1fyx n GLN 770 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1fyx h ARG 771 N 3.20 0.00 -0.20 -1.09 3.08 -1.60 -3.15 114.38 114.62 1fyx h ARG 771 Ca 0.00 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.08 1fyx h ARG 771 Cb 0.82 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.85 1fyx h ARG 771 CO 0.00 0.70 0.02 1.49 -1.07 0.00 0.00 179.97 181.11 1fyx h GLU 772 N 0.00 0.09 -0.98 0.04 4.81 -1.80 -1.64 114.58 115.11 1fyx h GLU 772 Ca -0.01 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.24 1fyx h GLU 772 Cb 1.34 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 30.64 1fyx h GLU 772 CO 0.09 0.06 0.65 0.78 -0.73 0.00 0.00 179.01 179.86 1fyx h GLY 773 N 0.10 1.40 0.40 1.92 0.00 -1.87 -2.25 103.07 102.77 1fyx h GLY 773 Ca 0.09 -0.50 0.02 0.00 0.00 0.00 0.00 47.33 46.94 1fyx h GLY 773 CO -0.14 0.46 -0.36 -2.75 0.00 0.00 0.00 176.54 173.75 1fyx h PHE 774 N 1.28 -0.99 -0.96 5.60 3.57 -1.28 0.65 116.94 124.81 1fyx h PHE 774 Ca 0.37 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.95 1fyx h PHE 774 Cb -0.07 0.42 -0.06 0.00 2.79 0.00 0.00 35.95 39.02 1fyx h PHE 774 CO -0.00 -0.47 0.63 -1.49 -2.23 0.00 0.00 178.31 174.75 1fyx h TRP 775 N -0.61 1.15 -0.59 0.41 4.06 -1.12 0.27 115.95 119.53 1fyx h TRP 775 Ca 0.02 0.03 0.03 0.00 2.06 0.00 0.00 58.89 61.03 1fyx h TRP 775 Cb 0.63 -0.38 -0.04 0.00 -1.00 0.00 0.00 29.16 28.37 1fyx h TRP 775 CO -0.30 0.62 0.35 0.28 -3.56 0.00 0.00 178.44 175.83 1fyx h VAL 776 N 1.15 1.05 -0.46 1.49 2.07 -0.78 0.03 116.25 120.80 1fyx h VAL 776 Ca 0.40 -0.24 -0.07 0.00 0.82 0.00 0.00 66.70 67.62 1fyx h VAL 776 Cb 0.12 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.18 1fyx h VAL 776 CO -0.15 0.13 0.01 0.78 0.02 0.00 0.00 177.57 178.36 1fyx h ASN 777 N 0.69 0.78 -0.05 0.57 2.35 0.63 -2.22 115.58 118.33 1fyx h ASN 777 Ca 0.24 -0.30 0.03 0.00 -0.55 0.00 0.00 56.30 55.72 1fyx h ASN 777 Cb 0.04 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.17 1fyx h ASN 777 CO -0.11 0.89 -0.14 0.25 -1.65 0.00 0.00 177.43 176.67 1fyx h LEU 778 N 0.65 -0.41 -0.56 1.61 5.85 0.45 -0.29 115.31 122.61 1fyx h LEU 778 Ca 0.13 0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.93 1fyx h LEU 778 Cb 0.48 0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.67 1fyx h LEU 778 CO 0.02 -0.19 0.37 0.03 -0.34 0.00 0.00 178.44 178.34 1fyx h ARG 779 N -0.20 0.74 -0.44 1.25 3.08 -1.01 -1.06 114.38 116.73 1fyx h ARG 779 Ca 0.06 -0.04 0.07 0.00 0.07 0.00 0.00 59.98 60.14 1fyx h ARG 779 Cb 0.29 -0.17 -0.06 0.00 0.08 0.00 0.00 29.97 30.11 1fyx h ARG 779 CO -0.17 0.49 0.07 0.00 -1.07 0.00 0.00 179.97 179.29 1fyx h ALA 780 N 1.21 0.47 0.12 0.04 0.00 -0.94 -0.89 119.26 119.27 1fyx h ALA 780 Ca 0.21 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 1fyx h ALA 780 Cb -0.08 0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1fyx h ALA 780 CO -0.05 -0.33 -0.06 0.00 0.00 0.00 0.00 179.25 178.82 1fyx h ALA 781 N 1.35 -0.16 -0.87 0.00 0.00 -0.44 0.48 119.26 119.63 1fyx h ALA 781 Ca 0.22 -0.07 0.12 0.00 0.00 0.00 0.00 54.91 55.18 1fyx h ALA 781 Cb 0.28 0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.05 1fyx h ALA 781 CO -0.30 -0.55 0.49 0.82 0.00 0.00 0.00 179.25 179.72 1fyx h ILE 782 N -0.24 0.84 -0.01 0.00 2.04 -0.85 -0.41 117.51 118.88 1fyx h ILE 782 Ca -0.02 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.58 1fyx h ILE 782 Cb 0.19 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.28 1fyx h ILE 782 CO 0.03 0.14 -0.08 0.29 0.00 0.00 0.00 178.15 178.53 1fyx n LYS 783 N -4.77 1.39 0.00 2.37 4.76 -0.37 -4.87 118.16 116.67 1fyx n LYS 783 Ca 0.16 -0.80 0.00 0.00 -2.87 0.00 0.00 58.31 54.80 1fyx n LYS 783 Cb 0.36 -1.48 0.00 0.00 -1.84 0.00 0.00 35.03 32.06 1fyx n LYS 783 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90