#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p3g s HIS 639 N 0.00 3.87 -0.17 6.00 2.46 -1.26 -5.06 115.29 121.13 1p3g s HIS 639 Ca 0.00 1.50 -0.06 0.00 0.47 0.00 0.00 55.06 56.98 1p3g s HIS 639 Cb 0.00 -2.67 0.08 0.00 -0.13 0.00 0.00 32.58 29.86 1p3g s HIS 639 CO 0.00 0.54 0.34 0.50 -2.47 0.00 0.00 174.74 173.65 1p3g s ARG 640 N -1.16 0.24 0.35 2.88 3.52 -1.26 -5.14 118.95 118.38 1p3g s ARG 640 Ca 0.34 0.87 -0.28 0.00 -0.13 0.00 0.00 55.73 56.53 1p3g s ARG 640 Cb -0.22 0.11 -0.09 0.00 -1.56 0.00 0.00 34.95 33.19 1p3g s ARG 640 CO 0.24 -0.29 1.21 0.71 -0.81 0.00 0.00 175.30 176.36 1p3g s TYR 641 N 2.52 3.18 0.49 5.12 1.51 -1.26 -4.98 117.35 123.92 1p3g s TYR 641 Ca 0.00 1.54 -0.22 0.00 -1.01 0.00 0.00 57.07 57.38 1p3g s TYR 641 Cb -0.12 -3.48 -0.07 0.00 -0.11 0.00 0.00 41.96 38.18 1p3g s TYR 641 CO -0.11 -1.34 1.15 1.03 -1.11 0.00 0.00 175.55 175.17 1p3g s ARG 642 N -1.90 3.62 -0.19 -0.62 0.52 -1.26 -4.89 118.95 114.22 1p3g s ARG 642 Ca 0.51 1.71 -0.37 0.00 -0.52 0.00 0.00 55.73 57.05 1p3g s ARG 642 Cb -0.34 -2.26 -0.14 0.00 0.52 0.00 0.00 34.95 32.73 1p3g s ARG 642 CO 0.45 -0.65 1.82 -0.35 0.02 0.00 0.00 175.30 176.58 1p3g n PRO 643 N -0.78 1.65 0.00 3.54 -0.04 -1.26 -1.71 135.00 136.40 1p3g n PRO 643 Ca 0.09 0.60 0.00 0.00 -0.04 0.00 0.00 63.50 64.15 1p3g n PRO 643 Cb 0.49 -2.37 0.00 0.00 -0.04 0.00 0.00 33.50 31.59 1p3g n PRO 643 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1p3g n GLY 644 N 4.32 1.06 0.10 0.55 0.00 -1.26 -4.96 105.19 105.00 1p3g n GLY 644 Ca 0.25 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.09 1p3g n GLY 644 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1p3g h THR 645 N 0.00 1.57 0.00 2.61 2.02 -1.69 -2.99 112.91 114.43 1p3g h THR 645 Ca 0.00 -2.29 -0.08 0.00 0.77 0.00 0.00 66.41 64.80 1p3g h THR 645 Cb 0.00 3.05 -0.01 0.00 -1.74 0.00 0.00 68.15 69.45 1p3g h THR 645 CO 0.00 0.64 -0.40 0.58 0.37 0.00 0.00 175.52 176.71 1p3g h VAL 646 N -0.49 1.09 -0.46 3.16 2.07 -1.93 -2.18 116.25 117.51 1p3g h VAL 646 Ca -0.08 -1.46 -0.03 0.00 0.82 0.00 0.00 66.70 65.95 1p3g h VAL 646 Cb 1.31 1.83 -0.02 0.00 -1.52 0.00 0.00 31.29 32.89 1p3g h VAL 646 CO 0.09 0.39 0.17 0.00 0.02 0.00 0.00 177.57 178.24 1p3g h ALA 647 N 1.60 0.60 -0.12 1.67 0.00 -1.92 -0.81 119.26 120.27 1p3g h ALA 647 Ca -0.00 -0.16 -0.15 0.00 0.00 0.00 0.00 54.91 54.60 1p3g h ALA 647 Cb 0.80 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1p3g h ALA 647 CO 0.05 0.22 -0.56 -0.07 0.00 0.00 0.00 179.25 178.90 1p3g h LEU 648 N 0.60 0.41 -0.36 0.00 3.38 -1.36 -1.72 115.31 116.26 1p3g h LEU 648 Ca 0.15 -0.22 0.02 0.00 0.09 0.00 0.00 57.88 57.92 1p3g h LEU 648 Cb 0.22 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1p3g h LEU 648 CO -0.01 0.88 0.21 -0.09 0.09 0.00 0.00 178.44 179.52 1p3g h ARG 649 N 0.28 0.41 -0.66 1.13 2.43 -1.12 -1.61 114.38 115.25 1p3g h ARG 649 Ca 0.00 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.11 1p3g h ARG 649 Cb 1.06 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 30.49 1p3g h ARG 649 CO 0.09 0.27 0.27 0.93 -1.51 0.00 0.00 179.97 180.03 1p3g h GLU 650 N 0.43 0.97 -0.23 0.20 5.08 -0.87 -0.06 114.58 120.10 1p3g h GLU 650 Ca 0.14 -0.17 0.02 0.00 -1.00 0.00 0.00 59.36 58.36 1p3g h GLU 650 Cb 0.01 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.07 1p3g h GLU 650 CO -0.07 0.81 0.07 0.82 -1.00 0.00 0.00 179.01 179.64 1p3g h ILE 651 N 0.92 0.94 -0.63 3.13 2.04 -0.95 0.14 117.51 123.10 1p3g h ILE 651 Ca 0.22 -0.06 -0.04 0.00 1.00 0.00 0.00 64.86 65.98 1p3g h ILE 651 Cb 0.19 0.74 -0.03 0.00 -0.74 0.00 0.00 36.82 36.98 1p3g h ILE 651 CO -0.02 0.03 0.25 0.03 0.00 0.00 0.00 178.15 178.44 1p3g h ARG 652 N 0.18 0.92 0.42 2.37 3.08 -1.05 -0.42 114.38 119.89 1p3g h ARG 652 Ca 0.10 -0.15 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 1p3g h ARG 652 Cb 0.07 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 29.97 1p3g h ARG 652 CO -0.11 0.75 -0.20 -0.09 -1.07 0.00 0.00 179.97 179.25 1p3g h ARG 653 N 0.90 -0.55 0.00 0.04 2.43 -0.10 -2.82 114.38 114.28 1p3g h ARG 653 Ca 0.21 0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.40 1p3g h ARG 653 Cb 0.18 0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 29.85 1p3g h ARG 653 CO -0.02 -0.29 -0.10 1.88 -1.51 0.00 0.00 179.97 179.94 1p3g h TYR 654 N -0.73 0.00 0.00 2.20 -1.99 -0.64 -2.71 116.97 113.10 1p3g h TYR 654 Ca -0.06 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.67 1p3g h TYR 654 Cb 0.52 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.25 1p3g h TYR 654 CO -0.01 0.10 0.00 1.04 -0.00 0.00 0.00 178.16 179.28 1p3g n GLN 655 N -3.18 0.18 0.00 4.88 6.02 -0.18 -2.73 117.38 122.37 1p3g n GLN 655 Ca 0.02 0.15 0.12 0.00 -0.01 0.00 0.00 57.00 57.28 1p3g n GLN 655 Cb 0.43 -1.71 0.21 0.00 1.02 0.00 0.00 30.24 30.19 1p3g n GLN 655 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 1p3g n LYS 656 N -2.03 0.73 -4.59 -1.09 4.81 -1.03 -4.95 118.16 110.01 1p3g n LYS 656 Ca 0.06 -0.50 -0.27 0.00 -0.87 0.00 0.00 58.31 56.73 1p3g n LYS 656 Cb 0.40 -1.49 -0.11 0.00 0.02 0.00 0.00 35.03 33.85 1p3g n LYS 656 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 1p3g s SER 657 N -2.62 3.61 0.00 3.14 1.04 -1.11 -5.08 113.70 112.68 1p3g s SER 657 Ca 0.19 -1.38 0.00 0.00 0.48 0.00 0.00 55.95 55.24 1p3g s SER 657 Cb 0.18 -0.31 0.00 0.00 0.10 0.00 0.00 66.02 65.99 1p3g s SER 657 CO 0.59 -0.49 0.30 0.35 0.98 0.00 0.00 173.24 174.97 1p3g n THR 658 N -0.93 0.00 -1.78 2.02 -2.24 -1.26 -4.96 114.28 105.13 1p3g n THR 658 Ca -0.05 -0.32 -0.34 0.00 -2.27 0.00 0.00 64.05 61.07 1p3g n THR 658 Cb 0.67 1.32 0.05 0.00 -2.10 0.00 0.00 70.33 70.27 1p3g n THR 658 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1p3g s GLU 659 N -0.05 2.73 0.60 -0.78 4.04 -1.26 -4.97 118.70 119.01 1p3g s GLU 659 Ca 0.00 1.58 -0.18 0.00 0.04 0.00 0.00 54.97 56.41 1p3g s GLU 659 Cb 0.00 -1.93 -0.03 0.00 0.02 0.00 0.00 34.13 32.19 1p3g s GLU 659 CO 0.00 -1.34 1.17 -0.51 -1.84 0.00 0.00 175.26 172.75 1p3g s LEU 660 N -4.67 3.62 -0.00 1.83 1.43 -1.26 -4.96 118.68 114.67 1p3g s LEU 660 Ca 0.71 2.27 0.17 0.00 -1.03 0.00 0.00 54.13 56.25 1p3g s LEU 660 Cb -0.24 -4.59 -0.19 0.00 0.03 0.00 0.00 46.19 41.20 1p3g s LEU 660 CO 0.39 -1.56 0.72 0.18 0.23 0.00 0.00 176.35 176.31 1p3g n LEU 661 N -1.73 0.79 -4.80 1.79 4.77 -1.26 -4.91 117.00 111.65 1p3g n LEU 661 Ca 0.13 -0.49 -0.37 0.00 -0.03 0.00 0.00 56.01 55.25 1p3g n LEU 661 Cb 0.50 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.53 1p3g n LEU 661 CO 0.44 0.20 -0.09 -0.63 -1.33 0.00 0.00 177.39 175.98 1p3g s ILE 662 N -2.62 5.36 0.21 -0.08 1.01 -1.26 -5.03 121.20 118.79 1p3g s ILE 662 Ca 0.06 0.38 -0.32 0.00 0.00 0.00 0.00 60.65 60.77 1p3g s ILE 662 Cb 0.13 -3.52 -0.14 0.00 0.01 0.00 0.00 42.46 38.94 1p3g s ILE 662 CO 0.70 0.51 1.37 0.54 0.00 0.00 0.00 174.94 178.07 1p3g n ARG 663 N 2.72 1.83 0.33 2.79 5.12 -1.26 -4.92 116.66 123.27 1p3g n ARG 663 Ca -0.16 0.65 -0.14 0.00 -1.93 0.00 0.00 57.85 56.27 1p3g n ARG 663 Cb 0.53 -2.29 -0.07 0.00 -1.16 0.00 0.00 32.46 29.47 1p3g n ARG 663 CO 0.00 0.00 0.00 0.87 -1.93 0.00 0.00 177.63 176.57 1p3g h LYS 664 N 4.26 -0.85 -0.31 5.56 1.57 -1.97 -2.66 116.57 122.18 1p3g h LYS 664 Ca -0.45 0.06 0.06 0.00 -1.87 0.00 0.00 60.65 58.45 1p3g h LYS 664 Cb 1.29 0.19 -0.06 0.00 0.08 0.00 0.00 32.23 33.73 1p3g h LYS 664 CO 0.76 -0.56 -0.10 1.25 -0.57 0.00 0.00 179.45 180.23 1p3g h LEU 665 N -0.88 -0.36 -0.94 2.94 5.85 -2.00 -1.26 115.31 118.66 1p3g h LEU 665 Ca -0.08 0.10 0.11 0.00 0.84 0.00 0.00 57.88 58.85 1p3g h LEU 665 Cb 0.69 0.22 -0.08 0.00 0.37 0.00 0.00 40.66 41.86 1p3g h LEU 665 CO 0.12 -0.13 0.57 -0.65 -0.34 0.00 0.00 178.44 178.01 1p3g h PRO 666 N -0.04 0.90 -0.36 5.25 0.11 -1.97 -1.35 132.00 134.53 1p3g h PRO 666 Ca 0.15 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.19 1p3g h PRO 666 Cb 0.27 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.16 1p3g h PRO 666 CO -0.34 0.59 0.16 0.35 -0.21 0.00 0.00 178.00 178.56 1p3g h PHE 667 N 0.92 0.54 -0.97 0.65 3.57 -0.91 -2.75 116.94 117.99 1p3g h PHE 667 Ca 0.46 -0.03 0.10 0.00 3.53 0.00 0.00 57.97 62.03 1p3g h PHE 667 Cb 0.44 -0.16 -0.08 0.00 2.79 0.00 0.00 35.95 38.94 1p3g h PHE 667 CO -0.03 0.47 0.61 0.37 -2.23 0.00 0.00 178.31 177.50 1p3g h GLN 668 N 0.45 0.98 -0.27 1.11 4.15 -0.19 -1.56 115.11 119.78 1p3g h GLN 668 Ca 0.12 -0.06 -0.07 0.00 0.77 0.00 0.00 58.65 59.41 1p3g h GLN 668 Cb 0.15 -0.22 -0.02 0.00 0.21 0.00 0.00 27.48 27.60 1p3g h GLN 668 CO -0.01 0.65 -0.14 0.00 -1.93 0.00 0.00 178.83 177.39 1p3g h ARG 669 N 1.01 0.46 -0.55 1.69 3.08 -1.16 -0.31 114.38 118.59 1p3g h ARG 669 Ca 0.46 -0.13 -0.09 0.00 0.07 0.00 0.00 59.98 60.29 1p3g h ARG 669 Cb 0.37 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 1p3g h ARG 669 CO -0.23 0.59 0.01 1.25 -1.07 0.00 0.00 179.97 180.52 1p3g h LEU 670 N 0.42 0.95 0.10 3.04 5.85 -1.04 0.12 115.31 124.75 1p3g h LEU 670 Ca 0.08 -0.30 -0.00 0.00 0.84 0.00 0.00 57.88 58.49 1p3g h LEU 670 Cb 0.50 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.28 1p3g h LEU 670 CO 0.03 1.02 -0.05 0.58 -0.34 0.00 0.00 178.44 179.68 1p3g h VAL 671 N 0.85 0.97 -0.57 1.05 2.07 -0.68 -1.76 116.25 118.19 1p3g h VAL 671 Ca 0.16 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 1p3g h VAL 671 Cb 0.53 1.12 -0.03 0.00 -1.52 0.00 0.00 31.29 31.39 1p3g h VAL 671 CO 0.03 0.06 0.27 0.03 0.02 0.00 0.00 177.57 177.97 1p3g h ARG 672 N -0.23 0.80 -0.19 1.57 3.08 -0.92 -0.49 114.38 117.99 1p3g h ARG 672 Ca -0.01 -0.10 -0.02 0.00 0.07 0.00 0.00 59.98 59.92 1p3g h ARG 672 Cb 0.19 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 1p3g h ARG 672 CO 0.02 0.62 0.04 1.49 -1.07 0.00 0.00 179.97 181.08 1p3g h GLU 673 N 0.80 0.30 -0.34 0.04 4.81 -0.50 -0.37 114.58 119.31 1p3g h GLU 673 Ca 0.20 -0.07 -0.09 0.00 -0.13 0.00 0.00 59.36 59.26 1p3g h GLU 673 Cb 0.09 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 1p3g h GLU 673 CO -0.03 0.43 -0.14 0.82 -0.73 0.00 0.00 179.01 179.37 1p3g h ILE 674 N 0.11 1.28 -0.75 2.32 2.04 -1.10 -1.21 117.51 120.21 1p3g h ILE 674 Ca 0.06 -1.24 -0.03 0.00 1.00 0.00 0.00 64.86 64.65 1p3g h ILE 674 Cb 0.27 1.36 -0.03 0.00 -0.74 0.00 0.00 36.82 37.68 1p3g h ILE 674 CO 0.00 0.41 0.35 0.00 0.00 0.00 0.00 178.15 178.91 1p3g h ALA 675 N 0.79 0.97 -0.11 1.87 0.00 -1.08 -3.08 119.26 118.63 1p3g h ALA 675 Ca 0.08 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1p3g h ALA 675 Cb 0.67 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1p3g h ALA 675 CO 0.05 0.55 -0.04 0.37 0.00 0.00 0.00 179.25 180.17 1p3g h GLN 676 N 1.06 0.22 -0.35 0.00 4.15 -0.97 -0.44 115.11 118.78 1p3g h GLN 676 Ca 0.26 -0.09 0.00 0.00 0.77 0.00 0.00 58.65 59.59 1p3g h GLN 676 Cb 0.13 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.82 1p3g h GLN 676 CO -0.03 0.55 0.00 -0.25 -1.93 0.00 0.00 178.83 177.17 1p3g n ASP 677 N -4.73 0.35 0.00 -0.69 8.00 -0.46 -2.21 116.55 116.80 1p3g n ASP 677 Ca -0.06 -0.83 0.00 0.00 0.71 0.00 0.00 54.79 54.60 1p3g n ASP 677 Cb 0.26 -0.18 0.00 0.00 -0.02 0.00 0.00 41.12 41.19 1p3g n ASP 677 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1p3g n PHE 678 N 0.17 0.00 -3.23 1.24 0.99 -0.34 -5.04 117.46 111.25 1p3g n PHE 678 Ca 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 57.45 57.49 1p3g n PHE 678 Cb 0.09 0.00 -0.03 0.00 -1.00 0.00 0.00 39.48 38.54 1p3g n PHE 678 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.76 176.97 1p3g s LYS 679 N -1.73 0.22 0.97 -1.08 2.36 -0.32 -5.10 119.74 115.05 1p3g s LYS 679 Ca 0.00 0.45 -0.12 0.00 -2.55 0.00 0.00 55.97 53.75 1p3g s LYS 679 Cb 0.00 0.26 0.17 0.00 -1.05 0.00 0.00 37.83 37.21 1p3g s LYS 679 CO 0.00 -0.17 1.09 0.95 1.55 0.00 0.00 175.35 178.76 1p3g s THR 680 N 2.70 2.37 -1.14 3.43 -4.23 -1.24 -4.30 115.64 113.23 1p3g s THR 680 Ca -0.00 0.12 -0.14 0.00 -1.18 0.00 0.00 61.69 60.49 1p3g s THR 680 Cb -0.08 -2.41 -0.02 0.00 1.34 0.00 0.00 72.50 71.32 1p3g s THR 680 CO -0.14 -0.16 0.81 0.47 -0.54 0.00 0.00 174.62 175.06 1p3g n ASP 681 N -4.22 -5.09 -4.49 3.99 9.92 -1.26 -5.01 116.55 110.38 1p3g n ASP 681 Ca 0.07 -0.91 -0.29 0.00 -0.53 0.00 0.00 54.79 53.13 1p3g n ASP 681 Cb 0.54 -3.94 -0.11 0.00 -0.64 0.00 0.00 41.12 36.97 1p3g n ASP 681 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1p3g s LEU 682 N -6.22 2.69 0.28 0.64 1.43 -1.26 -5.14 118.68 111.10 1p3g s LEU 682 Ca 0.41 -0.62 0.11 0.00 -1.03 0.00 0.00 54.13 53.00 1p3g s LEU 682 Cb -0.12 -1.49 -0.05 0.00 0.03 0.00 0.00 46.19 44.56 1p3g s LEU 682 CO 0.82 0.16 -0.14 -0.13 0.23 0.00 0.00 176.35 177.29 1p3g s ARG 683 N -2.34 1.85 -0.05 1.70 0.52 -1.26 -5.10 118.95 114.28 1p3g s ARG 683 Ca 0.19 -1.68 0.02 0.00 -0.52 0.00 0.00 55.73 53.74 1p3g s ARG 683 Cb -0.10 -1.87 0.01 0.00 0.52 0.00 0.00 34.95 33.51 1p3g s ARG 683 CO 0.11 0.33 -0.09 -0.06 0.02 0.00 0.00 175.30 175.61 1p3g s PHE 684 N -2.46 1.11 0.44 -0.53 0.40 -1.26 -5.12 117.98 110.56 1p3g s PHE 684 Ca 0.31 -0.35 -0.24 0.00 -0.60 0.00 0.00 56.93 56.05 1p3g s PHE 684 Cb -0.05 -0.84 -0.08 0.00 0.51 0.00 0.00 43.02 42.57 1p3g s PHE 684 CO 0.16 -0.19 1.20 -0.65 0.70 0.00 0.00 175.22 176.45 1p3g s GLN 685 N 0.55 3.82 0.47 0.44 -0.21 -1.26 -4.87 119.66 118.60 1p3g s GLN 685 Ca -0.10 1.89 0.13 0.00 0.02 0.00 0.00 55.36 57.30 1p3g s GLN 685 Cb -0.13 -2.52 1.10 0.00 1.00 0.00 0.00 33.01 32.46 1p3g s GLN 685 CO 0.02 -0.53 2.09 0.66 -2.12 0.00 0.00 175.29 175.40 1p3g h SER 686 N 2.25 0.22 0.91 5.90 4.64 -2.01 -1.22 113.55 124.23 1p3g h SER 686 Ca -0.49 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 1p3g h SER 686 Cb 1.25 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1p3g h SER 686 CO 0.61 0.15 0.00 -1.54 -0.87 0.00 0.00 176.83 175.18 1p3g n SER 687 N -4.50 0.46 0.07 4.97 3.41 -1.26 -2.21 113.62 114.56 1p3g n SER 687 Ca 0.01 0.58 -0.09 0.00 -0.26 0.00 0.00 58.87 59.12 1p3g n SER 687 Cb 0.14 -0.69 -0.12 0.00 -0.26 0.00 0.00 64.21 63.27 1p3g n SER 687 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1p3g h ALA 688 N 2.49 0.30 0.00 7.33 0.00 -1.58 -2.18 119.26 125.62 1p3g h ALA 688 Ca 0.00 -0.91 -0.18 0.00 0.00 0.00 0.00 54.91 53.83 1p3g h ALA 688 Cb 0.45 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1p3g h ALA 688 CO 0.00 1.20 -0.84 0.28 0.00 0.00 0.00 179.25 179.89 1p3g h VAL 689 N 0.01 1.59 0.01 0.00 2.07 -1.42 -2.48 116.25 116.03 1p3g h VAL 689 Ca -0.03 -2.84 -0.22 0.00 0.82 0.00 0.00 66.70 64.43 1p3g h VAL 689 Cb 1.81 2.54 -0.00 0.00 -1.52 0.00 0.00 31.29 34.11 1p3g h VAL 689 CO 0.14 0.81 -0.94 0.24 0.02 0.00 0.00 177.57 177.85 1p3g h MET 690 N 0.01 0.35 -0.57 1.57 2.86 -1.51 -1.86 114.93 115.78 1p3g h MET 690 Ca -0.01 -0.39 -0.06 0.00 -2.06 0.00 0.00 59.70 57.19 1p3g h MET 690 Cb 1.48 0.11 -0.02 0.00 0.06 0.00 0.00 31.60 33.23 1p3g h MET 690 CO 0.11 1.07 0.14 0.00 1.06 0.00 0.00 176.91 179.29 1p3g h ALA 691 N 0.79 0.75 -0.60 6.32 0.00 -1.37 0.14 119.26 125.29 1p3g h ALA 691 Ca -0.07 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.55 1p3g h ALA 691 Cb 1.58 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 19.12 1p3g h ALA 691 CO 0.16 0.46 0.13 -0.07 0.00 0.00 0.00 179.25 179.92 1p3g h LEU 692 N 0.82 0.88 -0.41 0.00 3.38 -1.36 -1.10 115.31 117.53 1p3g h LEU 692 Ca 0.18 -0.18 -0.18 0.00 0.09 0.00 0.00 57.88 57.79 1p3g h LEU 692 Cb 0.35 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 1p3g h LEU 692 CO 0.00 0.87 -0.69 -0.61 0.09 0.00 0.00 178.44 178.10 1p3g h GLN 693 N 0.90 0.48 -0.52 1.13 4.15 -1.07 -0.02 115.11 120.16 1p3g h GLN 693 Ca 0.19 -0.37 -0.05 0.00 0.77 0.00 0.00 58.65 59.20 1p3g h GLN 693 Cb 0.35 0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.09 1p3g h GLN 693 CO 0.00 0.99 0.14 0.93 -1.93 0.00 0.00 178.83 178.96 1p3g h GLU 694 N 0.33 0.82 -0.16 1.69 4.39 -0.48 -1.63 114.58 119.54 1p3g h GLU 694 Ca -0.02 -0.19 -0.21 0.00 0.34 0.00 0.00 59.36 59.28 1p3g h GLU 694 Cb 1.27 -0.11 0.01 0.00 -0.10 0.00 0.00 28.75 29.81 1p3g h GLU 694 CO 0.12 0.78 -0.71 0.00 -1.16 0.00 0.00 179.01 178.04 1p3g h ALA 695 N 1.01 0.31 -0.52 3.43 0.00 -1.13 -2.39 119.26 119.97 1p3g h ALA 695 Ca 0.16 -0.58 -0.03 0.00 0.00 0.00 0.00 54.91 54.47 1p3g h ALA 695 Cb 0.32 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1p3g h ALA 695 CO -0.00 0.63 0.22 0.77 0.00 0.00 0.00 179.25 180.88 1p3g h SER 696 N 0.49 0.71 -0.11 0.00 0.02 -0.93 -0.00 113.55 113.73 1p3g h SER 696 Ca -0.04 -0.16 -0.10 0.00 -0.84 0.00 0.00 61.79 60.65 1p3g h SER 696 Cb 1.34 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.68 1p3g h SER 696 CO 0.15 0.67 -0.24 -0.33 -1.14 0.00 0.00 176.83 175.94 1p3g h GLU 697 N 0.70 0.54 -0.02 3.45 5.08 -1.36 0.03 114.58 123.00 1p3g h GLU 697 Ca 0.18 -0.20 -0.10 0.00 -1.00 0.00 0.00 59.36 58.23 1p3g h GLU 697 Cb 0.17 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 1p3g h GLU 697 CO -0.02 0.74 -0.46 0.00 -1.00 0.00 0.00 179.01 178.27 1p3g h ALA 698 N 1.27 1.19 -0.07 3.43 0.00 -1.06 -1.75 119.26 122.27 1p3g h ALA 698 Ca 0.07 -0.43 -0.03 0.00 0.00 0.00 0.00 54.91 54.52 1p3g h ALA 698 Cb 0.67 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 1p3g h ALA 698 CO 0.05 0.59 -0.08 -0.92 0.00 0.00 0.00 179.25 178.89 1p3g h TYR 699 N 0.05 0.22 -0.47 0.00 3.20 -0.56 -2.91 116.97 116.50 1p3g h TYR 699 Ca -0.00 -0.07 -0.10 0.00 3.14 0.00 0.00 58.73 61.70 1p3g h TYR 699 Cb 0.83 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 39.04 1p3g h TYR 699 CO 0.00 0.64 -0.10 -0.07 -1.64 0.00 0.00 178.16 176.99 1p3g h LEU 700 N -0.26 0.84 -0.49 2.82 3.38 -0.88 -1.48 115.31 119.23 1p3g h LEU 700 Ca 0.01 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 57.70 1p3g h LEU 700 Cb 0.61 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 1p3g h LEU 700 CO 0.02 0.96 0.21 0.58 0.09 0.00 0.00 178.44 180.30 1p3g h VAL 701 N 0.76 1.21 -0.17 1.22 2.07 -1.39 0.03 116.25 119.97 1p3g h VAL 701 Ca 0.13 -0.62 -0.09 0.00 0.82 0.00 0.00 66.70 66.94 1p3g h VAL 701 Cb 0.60 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 1p3g h VAL 701 CO 0.04 0.24 -0.27 0.00 0.02 0.00 0.00 177.57 177.59 1p3g h ALA 702 N 1.05 1.22 -0.36 1.67 0.00 -1.34 -2.37 119.26 119.12 1p3g h ALA 702 Ca 0.16 -0.33 -0.10 0.00 0.00 0.00 0.00 54.91 54.65 1p3g h ALA 702 Cb 0.18 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1p3g h ALA 702 CO -0.02 0.51 -0.16 1.25 0.00 0.00 0.00 179.25 180.84 1p3g h LEU 703 N 0.29 0.76 -1.72 0.00 5.85 -0.82 -2.79 115.31 116.89 1p3g h LEU 703 Ca 0.04 -0.40 -0.03 0.00 0.84 0.00 0.00 57.88 58.34 1p3g h LEU 703 Cb 0.64 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.45 1p3g h LEU 703 CO 0.05 0.99 -0.11 -0.26 -0.34 0.00 0.00 178.44 178.76 1p3g h PHE 704 N 0.53 0.03 -0.04 1.25 0.05 -0.61 0.30 116.94 118.46 1p3g h PHE 704 Ca 0.08 -0.00 -0.00 0.00 3.82 0.00 0.00 57.97 61.87 1p3g h PHE 704 Cb 0.69 -0.01 -0.00 0.00 2.00 0.00 0.00 35.95 38.63 1p3g h PHE 704 CO 0.06 0.15 0.01 0.93 -0.18 0.00 0.00 178.31 179.27 1p3g h GLU 705 N 0.03 0.06 -0.78 1.51 5.08 -1.25 0.24 114.58 119.48 1p3g h GLU 705 Ca 0.01 -0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.38 1p3g h GLU 705 Cb 0.23 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.42 1p3g h GLU 705 CO 0.02 0.29 0.50 -0.44 -1.00 0.00 0.00 179.01 178.37 1p3g h ASP 706 N -0.18 0.82 -0.60 1.42 3.32 -1.13 -0.81 116.42 119.27 1p3g h ASP 706 Ca 0.01 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 1p3g h ASP 706 Cb 0.26 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.60 1p3g h ASP 706 CO 0.00 0.57 0.35 0.74 -1.72 0.00 0.00 179.24 179.18 1p3g h THR 707 N 0.97 1.18 -0.67 0.35 2.02 -0.74 -1.00 112.91 115.03 1p3g h THR 707 Ca 0.31 -0.41 0.02 0.00 0.77 0.00 0.00 66.41 67.10 1p3g h THR 707 Cb 0.01 0.37 -0.04 0.00 -1.74 0.00 0.00 68.15 66.75 1p3g h THR 707 CO -0.11 0.19 0.42 -1.13 0.37 0.00 0.00 175.52 175.26 1p3g h ASN 708 N 0.81 0.70 -0.67 4.18 -1.24 0.55 -0.82 115.58 119.09 1p3g h ASN 708 Ca 0.21 -0.00 -0.03 0.00 0.71 0.00 0.00 56.30 57.19 1p3g h ASN 708 Cb -0.01 -0.16 -0.03 0.00 0.73 0.00 0.00 38.32 38.86 1p3g h ASN 708 CO -0.04 0.49 0.29 -0.07 -1.29 0.00 0.00 177.43 176.82 1p3g h LEU 709 N 0.83 0.90 -1.29 0.34 3.38 -0.57 -1.31 115.31 117.59 1p3g h LEU 709 Ca 0.26 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 1p3g h LEU 709 Cb -0.01 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 1p3g h LEU 709 CO -0.09 0.80 -0.03 0.00 0.09 0.00 0.00 178.44 179.21 1p3g h ALA 711 N 1.55 0.15 -0.23 0.00 0.00 -0.81 -2.88 119.26 117.04 1p3g h ALA 711 Ca 0.09 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 1p3g h ALA 711 Cb 0.33 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1p3g h ALA 711 CO 0.01 0.04 0.06 0.82 0.00 0.00 0.00 179.25 180.18 1p3g h ILE 712 N -0.15 1.11 -0.14 0.00 2.04 -1.01 0.60 117.51 119.96 1p3g h ILE 712 Ca 0.01 -0.38 0.01 0.00 1.00 0.00 0.00 64.86 65.51 1p3g h ILE 712 Cb 0.69 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.63 1p3g h ILE 712 CO 0.03 0.14 0.10 -0.74 0.00 0.00 0.00 178.15 177.68 1p3g h HIS 713 N 0.32 0.14 -0.31 1.37 2.76 -0.80 0.33 115.15 118.96 1p3g h HIS 713 Ca 0.08 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.25 1p3g h HIS 713 Cb 0.12 -0.05 0.00 0.00 1.55 0.00 0.00 27.41 29.03 1p3g h HIS 713 CO 0.00 0.09 0.00 0.00 -1.30 0.00 0.00 177.93 176.72 1p3g n ALA 714 N -2.53 2.65 -2.96 5.26 0.00 0.12 -4.89 120.51 118.15 1p3g n ALA 714 Ca -0.01 -0.67 -0.21 0.00 0.00 0.00 0.00 53.44 52.56 1p3g n ALA 714 Cb 0.12 -1.00 0.03 0.00 0.00 0.00 0.00 19.45 18.60 1p3g n ALA 714 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1p3g n LYS 715 N 0.42 -4.58 -4.56 0.00 5.02 0.12 -5.00 118.16 109.57 1p3g n LYS 715 Ca 0.12 0.85 -0.26 0.00 -2.02 0.00 0.00 58.31 57.00 1p3g n LYS 715 Cb 0.40 -5.58 -0.11 0.00 -0.02 0.00 0.00 35.03 29.72 1p3g n LYS 715 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1p3g s ARG 716 N -5.62 1.86 0.00 1.97 0.52 -0.68 -5.00 118.95 112.00 1p3g s ARG 716 Ca 0.28 -2.04 0.00 0.00 -0.52 0.00 0.00 55.73 53.46 1p3g s ARG 716 Cb -0.12 -1.43 0.00 0.00 0.52 0.00 0.00 34.95 33.92 1p3g s ARG 716 CO 0.35 -0.07 0.24 1.33 0.02 0.00 0.00 175.30 177.17 1p3g n VAL 717 N -0.87 0.00 -3.63 3.52 0.24 -1.26 -3.32 118.33 113.01 1p3g n VAL 717 Ca -0.04 -0.35 -0.39 0.00 -2.04 0.00 0.00 64.34 61.51 1p3g n VAL 717 Cb 0.67 1.20 -0.11 0.00 -1.47 0.00 0.00 33.84 34.12 1p3g n VAL 717 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1p3g s THR 718 N -0.23 4.65 0.26 3.34 2.01 -1.26 -5.02 115.64 119.40 1p3g s THR 718 Ca 0.00 -0.51 -0.29 0.00 0.31 0.00 0.00 61.69 61.20 1p3g s THR 718 Cb 0.00 -3.43 -0.09 0.00 0.01 0.00 0.00 72.50 68.99 1p3g s THR 718 CO 0.00 -0.01 1.15 0.27 -0.69 0.00 0.00 174.62 175.34 1p3g s ILE 719 N 1.61 3.42 0.22 1.82 -4.36 -1.26 -4.94 121.20 117.71 1p3g s ILE 719 Ca 0.04 1.36 0.05 0.00 -0.26 0.00 0.00 60.65 61.85 1p3g s ILE 719 Cb -0.18 -3.87 -0.05 0.00 1.25 0.00 0.00 42.46 39.61 1p3g s ILE 719 CO 0.07 0.30 -0.06 -0.04 0.24 0.00 0.00 174.94 175.44 1p3g s MET 720 N -1.17 1.34 0.32 0.37 -1.94 -1.26 -5.04 119.30 111.92 1p3g s MET 720 Ca 0.47 -1.65 0.07 0.00 -1.71 0.00 0.00 55.69 52.88 1p3g s MET 720 Cb -0.33 -0.85 0.77 0.00 2.01 0.00 0.00 34.83 36.43 1p3g s MET 720 CO 0.41 0.02 1.81 -1.35 -0.01 0.00 0.00 175.02 175.90 1p3g h PRO 721 N 2.49 0.72 -0.64 2.03 0.11 -2.00 0.16 132.00 134.88 1p3g h PRO 721 Ca -0.38 -0.04 0.09 0.00 0.11 0.00 0.00 66.00 65.78 1p3g h PRO 721 Cb 1.22 -0.16 -0.04 0.00 0.11 0.00 0.00 31.00 32.13 1p3g h PRO 721 CO 0.65 0.48 0.43 1.57 -0.21 0.00 0.00 178.00 180.91 1p3g h LYS 722 N 0.74 0.48 -0.18 1.05 2.10 -1.99 -0.03 116.57 118.74 1p3g h LYS 722 Ca 0.54 -0.03 -0.05 0.00 -2.00 0.00 0.00 60.65 59.11 1p3g h LYS 722 Cb 0.86 -0.11 -0.00 0.00 -0.90 0.00 0.00 32.23 32.08 1p3g h LYS 722 CO -0.31 0.32 -0.10 -0.44 -2.00 0.00 0.00 179.45 176.91 1p3g h ASP 723 N 0.49 0.40 -0.71 7.07 3.32 -1.32 -1.07 116.42 124.61 1p3g h ASP 723 Ca 0.29 -0.42 -0.00 0.00 0.02 0.00 0.00 57.03 56.92 1p3g h ASP 723 Cb 0.50 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 39.90 1p3g h ASP 723 CO -0.09 0.73 0.44 0.40 -1.72 0.00 0.00 179.24 179.01 1p3g h ILE 724 N 0.07 1.20 -0.09 0.35 2.04 -1.19 -1.29 117.51 118.60 1p3g h ILE 724 Ca 0.04 -0.42 -0.15 0.00 1.00 0.00 0.00 64.86 65.33 1p3g h ILE 724 Cb 0.59 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 1p3g h ILE 724 CO 0.03 0.20 -0.59 1.56 0.00 0.00 0.00 178.15 179.35 1p3g h GLN 725 N 0.98 0.29 -0.27 2.37 4.20 -0.82 -2.49 115.11 119.37 1p3g h GLN 725 Ca 0.26 -0.19 -0.09 0.00 0.06 0.00 0.00 58.65 58.69 1p3g h GLN 725 Cb -0.06 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 1p3g h GLN 725 CO -0.05 0.79 -0.17 1.25 -0.67 0.00 0.00 178.83 179.98 1p3g h LEU 726 N 0.21 0.61 -0.83 1.46 5.85 -0.55 -1.45 115.31 120.61 1p3g h LEU 726 Ca -0.00 -0.43 -0.02 0.00 0.84 0.00 0.00 57.88 58.26 1p3g h LEU 726 Cb 1.10 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.92 1p3g h LEU 726 CO 0.09 0.91 0.43 0.00 -0.34 0.00 0.00 178.44 179.53 1p3g h ALA 727 N 0.72 1.07 -0.02 1.25 0.00 -1.24 -1.51 119.26 119.53 1p3g h ALA 727 Ca 0.05 -0.14 -0.16 0.00 0.00 0.00 0.00 54.91 54.66 1p3g h ALA 727 Cb 0.70 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1p3g h ALA 727 CO 0.05 0.61 -0.73 0.00 0.00 0.00 0.00 179.25 179.18 1p3g h ARG 728 N 1.17 0.15 -0.50 0.00 3.08 -1.34 -0.07 114.38 116.87 1p3g h ARG 728 Ca 0.29 -0.13 -0.12 0.00 0.07 0.00 0.00 59.98 60.09 1p3g h ARG 728 Cb 0.08 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 1p3g h ARG 728 CO -0.04 0.81 -0.15 -0.09 -1.07 0.00 0.00 179.97 179.43 1p3g h ARG 729 N 0.10 0.98 -0.08 0.04 2.43 -0.99 0.61 114.38 117.46 1p3g h ARG 729 Ca -0.02 -0.39 -0.19 0.00 -0.81 0.00 0.00 59.98 58.58 1p3g h ARG 729 Cb 1.29 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 30.78 1p3g h ARG 729 CO 0.11 1.06 -0.74 0.82 -1.51 0.00 0.00 179.97 179.71 1p3g h ILE 730 N 0.84 1.38 0.00 1.20 2.04 -1.14 -2.60 117.51 119.22 1p3g h ILE 730 Ca 0.12 -2.14 0.00 0.00 1.00 0.00 0.00 64.86 63.84 1p3g h ILE 730 Cb 0.72 2.11 0.00 0.00 -0.74 0.00 0.00 36.82 38.91 1p3g h ILE 730 CO 0.05 0.64 0.00 0.03 0.00 0.00 0.00 178.15 178.88 1p3g h ARG 731 N 0.28 0.00 -0.56 2.37 3.08 -0.83 -3.46 114.38 115.26 1p3g h ARG 731 Ca -0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1p3g h ARG 731 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.36 1p3g h ARG 731 CO 0.13 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.44 1p3g n GLY 732 N -0.63 0.94 0.56 0.04 0.00 -0.73 -4.97 105.19 100.40 1p3g n GLY 732 Ca -0.01 -0.51 0.08 0.00 0.00 0.00 0.00 46.02 45.58 1p3g n GLY 732 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1p3g n GLU 733 N -0.49 1.47 -0.05 1.61 1.02 0.13 -4.61 120.64 119.70 1p3g n GLU 733 Ca 0.00 -1.24 0.00 0.00 -0.02 0.00 0.00 57.16 55.90 1p3g n GLU 733 Cb 0.35 -1.30 0.00 0.00 -0.02 0.00 0.00 31.44 30.47 1p3g n GLU 733 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 1p3g n ARG 734 N 0.55 0.00 0.00 3.49 1.85 -1.24 -4.97 116.66 116.34 1p3g n ARG 734 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.94 1p3g n ARG 734 Cb 0.39 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.80 1p3g n ARG 734 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62