#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p3a s HIS 639 N 0.00 3.68 -0.25 6.00 2.46 -1.26 -5.04 115.29 120.89 1p3a s HIS 639 Ca 0.00 1.73 -0.07 0.00 0.47 0.00 0.00 55.06 57.19 1p3a s HIS 639 Cb 0.00 -3.21 0.12 0.00 -0.13 0.00 0.00 32.58 29.36 1p3a s HIS 639 CO 0.00 -0.31 0.52 0.50 -2.47 0.00 0.00 174.74 172.98 1p3a s ARG 640 N -1.15 0.44 0.29 2.88 3.52 -1.26 -5.15 118.95 118.52 1p3a s ARG 640 Ca 0.45 1.17 -0.29 0.00 -0.13 0.00 0.00 55.73 56.92 1p3a s ARG 640 Cb -0.30 0.51 -0.10 0.00 -1.56 0.00 0.00 34.95 33.50 1p3a s ARG 640 CO 0.38 -0.29 1.16 0.71 -0.81 0.00 0.00 175.30 176.45 1p3a s TYR 641 N 2.74 3.44 0.57 5.12 1.51 -1.26 -4.99 117.35 124.47 1p3a s TYR 641 Ca -0.01 1.61 -0.20 0.00 -1.01 0.00 0.00 57.07 57.47 1p3a s TYR 641 Cb -0.12 -3.39 -0.04 0.00 -0.11 0.00 0.00 41.96 38.29 1p3a s TYR 641 CO -0.16 -0.92 1.28 1.03 -1.11 0.00 0.00 175.55 175.67 1p3a s ARG 642 N -1.49 3.06 0.05 -0.62 0.52 -1.26 -4.86 118.95 114.35 1p3a s ARG 642 Ca 0.46 2.02 -0.34 0.00 -0.52 0.00 0.00 55.73 57.35 1p3a s ARG 642 Cb -0.34 -2.10 -0.13 0.00 0.52 0.00 0.00 34.95 32.90 1p3a s ARG 642 CO 0.44 -1.19 1.70 -0.35 0.02 0.00 0.00 175.30 175.92 1p3a n PRO 643 N -1.29 2.11 0.00 3.54 -0.04 -1.26 -2.54 135.00 135.51 1p3a n PRO 643 Ca 0.12 0.77 0.00 0.00 -0.04 0.00 0.00 63.50 64.35 1p3a n PRO 643 Cb 0.47 -2.56 0.00 0.00 -0.04 0.00 0.00 33.50 31.37 1p3a n PRO 643 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1p3a n GLY 644 N 3.82 0.83 0.14 0.55 0.00 -1.26 -4.96 105.19 104.31 1p3a n GLY 644 Ca 0.20 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.00 1p3a n GLY 644 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1p3a h THR 645 N 0.00 1.38 -0.23 2.61 2.02 -1.84 -2.52 112.91 114.33 1p3a h THR 645 Ca 0.00 -2.51 -0.16 0.00 0.77 0.00 0.00 66.41 64.51 1p3a h THR 645 Cb 0.00 2.97 -0.01 0.00 -1.74 0.00 0.00 68.15 69.37 1p3a h THR 645 CO 0.00 0.74 -0.49 0.58 0.37 0.00 0.00 175.52 176.72 1p3a h VAL 646 N -0.04 1.30 -0.70 3.16 2.07 -1.93 -1.39 116.25 118.72 1p3a h VAL 646 Ca -0.18 -1.70 0.04 0.00 0.82 0.00 0.00 66.70 65.68 1p3a h VAL 646 Cb 1.83 1.65 -0.05 0.00 -1.52 0.00 0.00 31.29 33.20 1p3a h VAL 646 CO 0.21 0.54 0.43 0.00 0.02 0.00 0.00 177.57 178.76 1p3a h ALA 647 N 0.95 0.93 -0.32 1.67 0.00 -1.94 0.35 119.26 120.90 1p3a h ALA 647 Ca 0.02 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1p3a h ALA 647 Cb 1.04 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1p3a h ALA 647 CO 0.10 0.17 -0.06 -0.07 0.00 0.00 0.00 179.25 179.40 1p3a h LEU 648 N 0.82 0.61 -0.51 0.00 3.38 -1.34 0.83 115.31 119.10 1p3a h LEU 648 Ca 0.29 -0.35 0.10 0.00 0.09 0.00 0.00 57.88 58.01 1p3a h LEU 648 Cb 0.07 -0.17 -0.10 0.00 0.09 0.00 0.00 40.66 40.56 1p3a h LEU 648 CO -0.13 0.82 -0.15 -0.09 0.09 0.00 0.00 178.44 178.98 1p3a h ARG 649 N 0.40 -0.03 -0.08 1.13 2.43 -0.31 -0.57 114.38 117.36 1p3a h ARG 649 Ca 0.08 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 59.14 1p3a h ARG 649 Cb 0.54 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.08 1p3a h ARG 649 CO 0.03 -0.02 -0.48 0.93 -1.51 0.00 0.00 179.97 178.92 1p3a h GLU 650 N -0.03 0.19 0.41 0.20 5.08 0.16 0.56 114.58 121.16 1p3a h GLU 650 Ca 0.24 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.48 1p3a h GLU 650 Cb 0.40 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1p3a h GLU 650 CO -0.54 0.64 -0.20 0.82 -1.00 0.00 0.00 179.01 178.73 1p3a h ILE 651 N 0.15 0.59 -0.44 3.13 2.04 -0.09 0.21 117.51 123.10 1p3a h ILE 651 Ca 0.01 -0.27 0.09 0.00 1.00 0.00 0.00 64.86 65.69 1p3a h ILE 651 Cb 0.91 0.72 -0.08 0.00 -0.74 0.00 0.00 36.82 37.64 1p3a h ILE 651 CO 0.07 0.05 -0.06 0.03 0.00 0.00 0.00 178.15 178.24 1p3a h ARG 652 N -0.71 0.05 0.28 2.37 3.08 -1.01 -0.84 114.38 117.60 1p3a h ARG 652 Ca -0.06 -0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 1p3a h ARG 652 Cb 0.50 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.52 1p3a h ARG 652 CO 0.09 0.03 -0.41 -0.09 -1.07 0.00 0.00 179.97 178.52 1p3a h ARG 653 N 0.05 -0.70 0.00 0.04 2.43 -0.72 -3.05 114.38 112.44 1p3a h ARG 653 Ca 0.22 0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.42 1p3a h ARG 653 Cb 0.33 0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 30.03 1p3a h ARG 653 CO -0.41 -0.47 -0.05 1.88 -1.51 0.00 0.00 179.97 179.41 1p3a h TYR 654 N -0.72 0.00 -0.00 2.20 -1.99 -0.32 -2.40 116.97 113.73 1p3a h TYR 654 Ca -0.03 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.70 1p3a h TYR 654 Cb 0.66 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.39 1p3a h TYR 654 CO -0.30 0.05 -0.00 1.04 -0.00 0.00 0.00 178.16 178.95 1p3a n GLN 655 N -3.24 0.21 -0.04 4.88 6.02 -0.34 -3.30 117.38 121.57 1p3a n GLN 655 Ca -0.01 -0.00 -0.19 0.00 -0.01 0.00 0.00 57.00 56.79 1p3a n GLN 655 Cb 0.25 -1.50 -0.13 0.00 1.02 0.00 0.00 30.24 29.88 1p3a n GLN 655 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1p3a n LYS 656 N -1.39 0.72 -1.99 -1.09 5.02 -0.91 -4.96 118.16 113.55 1p3a n LYS 656 Ca 0.11 0.22 -0.29 0.00 -2.02 0.00 0.00 58.31 56.33 1p3a n LYS 656 Cb 0.29 -1.65 0.17 0.00 -0.02 0.00 0.00 35.03 33.82 1p3a n LYS 656 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1p3a s SER 657 N -6.79 3.38 0.00 4.39 1.04 -1.17 -5.02 113.70 109.52 1p3a s SER 657 Ca -0.25 0.26 0.00 0.00 0.48 0.00 0.00 55.95 56.44 1p3a s SER 657 Cb 0.07 -0.39 0.00 0.00 0.10 0.00 0.00 66.02 65.81 1p3a s SER 657 CO 0.72 -2.56 0.41 0.35 0.98 0.00 0.00 173.24 173.14 1p3a n THR 658 N -3.63 0.00 -2.42 2.02 -2.24 -1.26 -4.97 114.28 101.78 1p3a n THR 658 Ca 0.14 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.59 1p3a n THR 658 Cb 0.60 0.94 -0.02 0.00 -2.10 0.00 0.00 70.33 69.75 1p3a n THR 658 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1p3a s GLU 659 N 0.00 3.67 0.40 -0.78 4.04 -1.26 -4.97 118.70 119.80 1p3a s GLU 659 Ca 0.00 1.34 -0.27 0.00 0.04 0.00 0.00 54.97 56.08 1p3a s GLU 659 Cb 0.00 -2.08 -0.10 0.00 0.02 0.00 0.00 34.13 31.98 1p3a s GLU 659 CO 0.00 -0.54 1.46 -0.51 -1.84 0.00 0.00 175.26 173.83 1p3a s LEU 660 N -3.73 4.25 0.00 1.83 1.43 -1.26 -4.90 118.68 116.30 1p3a s LEU 660 Ca 0.67 3.00 0.22 0.00 -1.03 0.00 0.00 54.13 56.99 1p3a s LEU 660 Cb -0.17 -3.77 0.54 0.00 0.03 0.00 0.00 46.19 42.83 1p3a s LEU 660 CO 0.24 -0.98 1.47 0.18 0.23 0.00 0.00 176.35 177.49 1p3a n LEU 661 N 0.22 3.52 -4.37 1.79 4.77 -1.26 -4.90 117.00 116.78 1p3a n LEU 661 Ca 0.02 -1.65 -0.33 0.00 -0.03 0.00 0.00 56.01 54.03 1p3a n LEU 661 Cb 0.40 -0.36 -0.15 0.00 -2.33 0.00 0.00 43.42 40.99 1p3a n LEU 661 CO 0.62 0.82 -0.47 -0.63 -1.33 0.00 0.00 177.39 176.40 1p3a s ILE 662 N -1.29 2.87 0.17 -0.08 1.01 -1.26 -5.08 121.20 117.54 1p3a s ILE 662 Ca 0.43 -0.74 -0.33 0.00 0.00 0.00 0.00 60.65 60.00 1p3a s ILE 662 Cb 0.23 -2.17 -0.15 0.00 0.01 0.00 0.00 42.46 40.38 1p3a s ILE 662 CO 0.32 0.54 1.29 0.54 0.00 0.00 0.00 174.94 177.63 1p3a n ARG 663 N 3.24 1.44 0.31 2.79 5.12 -1.26 -4.92 116.66 123.38 1p3a n ARG 663 Ca -0.18 0.52 -0.12 0.00 -1.93 0.00 0.00 57.85 56.13 1p3a n ARG 663 Cb 0.53 -2.11 -0.06 0.00 -1.16 0.00 0.00 32.46 29.66 1p3a n ARG 663 CO 0.00 0.00 0.00 0.87 -1.93 0.00 0.00 177.63 176.57 1p3a h LYS 664 N 4.06 -0.78 -0.65 5.56 1.57 -1.98 -2.88 116.57 121.49 1p3a h LYS 664 Ca -0.45 0.05 0.12 0.00 -1.87 0.00 0.00 60.65 58.50 1p3a h LYS 664 Cb 1.32 0.18 -0.09 0.00 0.08 0.00 0.00 32.23 33.72 1p3a h LYS 664 CO 0.75 -0.52 0.20 1.25 -0.57 0.00 0.00 179.45 180.56 1p3a h LEU 665 N -0.88 0.13 -0.77 2.94 5.85 -1.99 -0.38 115.31 120.20 1p3a h LEU 665 Ca -0.08 0.10 0.07 0.00 0.84 0.00 0.00 57.88 58.81 1p3a h LEU 665 Cb 0.62 0.12 -0.06 0.00 0.37 0.00 0.00 40.66 41.70 1p3a h LEU 665 CO 0.14 0.06 0.46 -0.65 -0.34 0.00 0.00 178.44 178.10 1p3a h PRO 666 N 0.34 0.80 -0.60 5.25 0.11 -1.96 -1.65 132.00 134.30 1p3a h PRO 666 Ca 0.34 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 66.33 1p3a h PRO 666 Cb 0.50 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.41 1p3a h PRO 666 CO -0.39 0.53 0.07 0.35 -0.21 0.00 0.00 178.00 178.36 1p3a h PHE 667 N 0.82 1.08 -0.85 0.65 3.57 -0.91 -2.53 116.94 118.76 1p3a h PHE 667 Ca 0.35 -0.16 -0.03 0.00 3.53 0.00 0.00 57.97 61.66 1p3a h PHE 667 Cb 0.21 -0.29 -0.04 0.00 2.79 0.00 0.00 35.95 38.62 1p3a h PHE 667 CO -0.06 0.94 0.42 0.37 -2.23 0.00 0.00 178.31 177.75 1p3a h GLN 668 N 0.91 1.21 -0.26 1.11 4.15 -0.75 -1.56 115.11 119.92 1p3a h GLN 668 Ca 0.18 -0.17 -0.00 0.00 0.77 0.00 0.00 58.65 59.43 1p3a h GLN 668 Cb 0.46 -0.22 -0.01 0.00 0.21 0.00 0.00 27.48 27.91 1p3a h GLN 668 CO 0.02 0.92 0.16 0.00 -1.93 0.00 0.00 178.83 177.99 1p3a h ARG 669 N 1.20 0.36 -0.26 1.69 3.08 -1.02 0.67 114.38 120.10 1p3a h ARG 669 Ca 0.29 -0.03 0.06 0.00 0.07 0.00 0.00 59.98 60.38 1p3a h ARG 669 Cb 0.10 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 1p3a h ARG 669 CO -0.04 0.28 0.18 1.25 -1.07 0.00 0.00 179.97 180.57 1p3a h LEU 670 N 0.33 0.04 -0.01 3.04 5.85 -1.02 0.10 115.31 123.65 1p3a h LEU 670 Ca 0.09 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 1p3a h LEU 670 Cb 0.02 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.04 1p3a h LEU 670 CO -0.02 0.03 -0.05 0.58 -0.34 0.00 0.00 178.44 178.64 1p3a h VAL 671 N 0.05 1.54 -0.99 1.05 2.07 -0.27 -2.33 116.25 117.37 1p3a h VAL 671 Ca 0.12 -1.67 0.02 0.00 0.82 0.00 0.00 66.70 65.99 1p3a h VAL 671 Cb 0.41 2.64 -0.05 0.00 -1.52 0.00 0.00 31.29 32.77 1p3a h VAL 671 CO -0.01 0.44 0.66 0.03 0.02 0.00 0.00 177.57 178.71 1p3a h ARG 672 N -0.62 1.28 0.89 1.57 3.08 -0.18 0.11 114.38 120.51 1p3a h ARG 672 Ca -0.00 -0.08 -0.04 0.00 0.07 0.00 0.00 59.98 59.92 1p3a h ARG 672 Cb 0.75 -0.29 0.01 0.00 0.08 0.00 0.00 29.97 30.52 1p3a h ARG 672 CO 0.01 0.85 -0.43 1.49 -1.07 0.00 0.00 179.97 180.82 1p3a h GLU 673 N 1.32 -1.15 -0.67 0.04 4.81 -0.85 0.82 114.58 118.89 1p3a h GLU 673 Ca 0.37 0.08 0.05 0.00 -0.13 0.00 0.00 59.36 59.73 1p3a h GLU 673 Cb -0.11 0.26 -0.04 0.00 0.63 0.00 0.00 28.75 29.49 1p3a h GLU 673 CO -0.09 -0.77 0.44 0.82 -0.73 0.00 0.00 179.01 178.68 1p3a h ILE 674 N -1.22 1.06 -0.17 2.32 2.04 -1.21 -1.93 117.51 118.40 1p3a h ILE 674 Ca -0.12 -0.25 -0.05 0.00 1.00 0.00 0.00 64.86 65.43 1p3a h ILE 674 Cb 0.92 0.25 -0.00 0.00 -0.74 0.00 0.00 36.82 37.24 1p3a h ILE 674 CO 0.20 0.14 -0.09 0.00 0.00 0.00 0.00 178.15 178.39 1p3a h ALA 675 N 1.62 0.24 0.00 1.87 0.00 -0.54 -3.19 119.26 119.25 1p3a h ALA 675 Ca 0.28 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1p3a h ALA 675 Cb 0.16 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1p3a h ALA 675 CO -0.08 0.06 0.00 0.94 0.00 0.00 0.00 179.25 180.17 1p3a n GLN 676 N -4.60 0.20 -1.25 0.00 0.00 0.26 -1.10 117.38 110.90 1p3a n GLN 676 Ca -0.05 0.06 -0.26 0.00 -0.00 0.00 0.00 57.00 56.74 1p3a n GLN 676 Cb 0.32 -1.50 0.16 0.00 0.00 0.00 0.00 30.24 29.22 1p3a n GLN 676 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 1p3a n ASP 677 N -1.38 4.56 0.00 1.69 8.00 -0.76 -4.02 116.55 124.64 1p3a n ASP 677 Ca 0.09 -3.65 0.00 0.00 0.71 0.00 0.00 54.79 51.94 1p3a n ASP 677 Cb 0.24 -0.87 0.00 0.00 -0.02 0.00 0.00 41.12 40.48 1p3a n ASP 677 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1p3a n PHE 678 N -1.10 0.00 -3.63 1.24 7.35 -0.26 -5.02 117.46 116.04 1p3a n PHE 678 Ca 0.60 0.00 -0.07 0.00 -0.76 0.00 0.00 57.45 57.22 1p3a n PHE 678 Cb 1.46 0.00 -0.02 0.00 0.35 0.00 0.00 39.48 41.27 1p3a n PHE 678 CO 0.00 0.00 0.00 0.21 -0.76 0.00 0.00 176.76 176.21 1p3a s LYS 679 N -1.00 1.14 0.52 -4.13 2.36 -0.65 -5.13 119.74 112.85 1p3a s LYS 679 Ca 0.00 -0.55 0.01 0.00 -2.55 0.00 0.00 55.97 52.89 1p3a s LYS 679 Cb 0.00 0.45 0.01 0.00 -1.05 0.00 0.00 37.83 37.24 1p3a s LYS 679 CO 0.00 -0.51 0.11 0.25 1.55 0.00 0.00 175.35 176.74 1p3a n THR 680 N -0.38 0.00 -4.20 3.43 -2.24 -1.26 -3.80 114.28 105.83 1p3a n THR 680 Ca -0.08 -2.34 -0.33 0.00 -2.27 0.00 0.00 64.05 59.03 1p3a n THR 680 Cb 0.61 0.35 -0.05 0.00 -2.10 0.00 0.00 70.33 69.14 1p3a n THR 680 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1p3a n ASP 681 N -1.45 -1.32 -4.42 3.42 9.92 -1.26 -4.91 116.55 116.54 1p3a n ASP 681 Ca -0.16 -1.10 -0.36 0.00 -0.53 0.00 0.00 54.79 52.65 1p3a n ASP 681 Cb 0.64 -2.46 -0.13 0.00 -0.64 0.00 0.00 41.12 38.53 1p3a n ASP 681 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1p3a s LEU 682 N -7.20 3.26 0.17 0.64 1.43 -1.26 -5.09 118.68 110.62 1p3a s LEU 682 Ca 0.38 -0.24 0.03 0.00 -1.03 0.00 0.00 54.13 53.27 1p3a s LEU 682 Cb -0.21 -1.85 -0.03 0.00 0.03 0.00 0.00 46.19 44.13 1p3a s LEU 682 CO 0.94 0.01 0.28 -0.13 0.23 0.00 0.00 176.35 177.68 1p3a s ARG 683 N 1.34 3.37 -0.07 1.70 0.52 -1.26 -5.05 118.95 119.50 1p3a s ARG 683 Ca 0.04 -0.66 0.03 0.00 -0.52 0.00 0.00 55.73 54.63 1p3a s ARG 683 Cb -0.15 -2.91 0.01 0.00 0.52 0.00 0.00 34.95 32.42 1p3a s ARG 683 CO 0.01 0.50 -0.17 -0.06 0.02 0.00 0.00 175.30 175.60 1p3a s PHE 684 N -1.79 1.89 0.57 -0.53 0.40 -1.26 -5.12 117.98 112.15 1p3a s PHE 684 Ca 0.34 -0.70 -0.18 0.00 -0.60 0.00 0.00 56.93 55.79 1p3a s PHE 684 Cb -0.11 -1.31 -0.05 0.00 0.51 0.00 0.00 43.02 42.07 1p3a s PHE 684 CO 0.28 -0.30 1.10 -0.65 0.70 0.00 0.00 175.22 176.35 1p3a s GLN 685 N 0.42 3.30 0.13 0.44 -0.21 -1.26 -4.91 119.66 117.57 1p3a s GLN 685 Ca -0.14 1.46 -0.14 0.00 0.02 0.00 0.00 55.36 56.56 1p3a s GLN 685 Cb -0.16 -2.01 -0.01 0.00 1.00 0.00 0.00 33.01 31.83 1p3a s GLN 685 CO 0.05 -0.86 1.59 0.66 -2.12 0.00 0.00 175.29 174.61 1p3a h SER 686 N 0.89 0.72 0.77 5.90 4.64 -2.00 -2.06 113.55 122.41 1p3a h SER 686 Ca -0.49 -0.29 0.00 0.00 -0.47 0.00 0.00 61.79 60.54 1p3a h SER 686 Cb 1.25 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 1p3a h SER 686 CO 0.57 0.83 0.00 -1.54 -0.87 0.00 0.00 176.83 175.81 1p3a n SER 687 N -4.44 0.71 -0.08 4.97 3.41 -1.26 -1.36 113.62 115.57 1p3a n SER 687 Ca -0.00 0.67 -0.14 0.00 -0.26 0.00 0.00 58.87 59.13 1p3a n SER 687 Cb 0.27 -0.82 -0.05 0.00 -0.26 0.00 0.00 64.21 63.35 1p3a n SER 687 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1p3a h ALA 688 N 2.27 0.42 0.00 7.33 0.00 -1.74 -0.44 119.26 127.09 1p3a h ALA 688 Ca 0.00 -0.48 -0.03 0.00 0.00 0.00 0.00 54.91 54.41 1p3a h ALA 688 Cb 0.39 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1p3a h ALA 688 CO 0.00 0.56 -0.12 0.28 0.00 0.00 0.00 179.25 179.97 1p3a h VAL 689 N 0.53 0.29 0.03 0.00 2.07 -1.15 -2.76 116.25 115.26 1p3a h VAL 689 Ca 0.02 -0.89 -0.24 0.00 0.82 0.00 0.00 66.70 66.41 1p3a h VAL 689 Cb 1.05 1.70 -0.03 0.00 -1.52 0.00 0.00 31.29 32.50 1p3a h VAL 689 CO 0.10 0.12 -1.21 0.24 0.02 0.00 0.00 177.57 176.84 1p3a h MET 690 N 0.00 0.06 -0.61 1.57 2.86 -0.92 -2.79 114.93 115.10 1p3a h MET 690 Ca -0.00 -0.10 -0.10 0.00 -2.06 0.00 0.00 59.70 57.44 1p3a h MET 690 Cb 0.69 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.36 1p3a h MET 690 CO 0.02 0.95 -0.00 0.00 1.06 0.00 0.00 176.91 178.93 1p3a h ALA 691 N 0.90 0.84 -0.04 6.32 0.00 -0.97 -0.21 119.26 126.10 1p3a h ALA 691 Ca -0.10 -0.31 -0.10 0.00 0.00 0.00 0.00 54.91 54.40 1p3a h ALA 691 Cb 1.86 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 19.41 1p3a h ALA 691 CO 0.13 0.67 -0.43 -0.07 0.00 0.00 0.00 179.25 179.56 1p3a h LEU 692 N 0.98 0.08 0.15 0.00 3.38 -1.54 -0.72 115.31 117.64 1p3a h LEU 692 Ca 0.17 -0.03 -0.29 0.00 0.09 0.00 0.00 57.88 57.82 1p3a h LEU 692 Cb 0.56 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.30 1p3a h LEU 692 CO 0.03 0.50 -1.28 -0.61 0.09 0.00 0.00 178.44 177.17 1p3a h GLN 693 N 0.07 0.33 -0.02 1.13 4.15 -1.21 -1.87 115.11 117.68 1p3a h GLN 693 Ca 0.00 -0.56 0.01 0.00 0.77 0.00 0.00 58.65 58.87 1p3a h GLN 693 Cb 0.79 0.21 -0.01 0.00 0.21 0.00 0.00 27.48 28.67 1p3a h GLN 693 CO 0.06 1.26 -0.02 0.93 -1.93 0.00 0.00 178.83 179.13 1p3a h GLU 694 N 0.09 -0.03 -0.64 1.69 4.39 -0.79 -1.77 114.58 117.54 1p3a h GLU 694 Ca -0.16 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.49 1p3a h GLU 694 Cb 2.00 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 30.63 1p3a h GLU 694 CO 0.22 -0.02 0.20 0.00 -1.16 0.00 0.00 179.01 178.25 1p3a h ALA 695 N 1.00 0.84 -0.31 3.43 0.00 -1.19 -1.63 119.26 121.40 1p3a h ALA 695 Ca 0.02 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 1p3a h ALA 695 Cb 0.05 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1p3a h ALA 695 CO -0.04 0.51 0.03 0.77 0.00 0.00 0.00 179.25 180.52 1p3a h SER 696 N 0.92 0.50 -0.33 0.00 0.02 -1.14 0.75 113.55 114.27 1p3a h SER 696 Ca 0.21 -0.28 -0.04 0.00 -0.84 0.00 0.00 61.79 60.84 1p3a h SER 696 Cb 0.29 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 1p3a h SER 696 CO -0.01 0.65 0.05 -0.33 -1.14 0.00 0.00 176.83 176.05 1p3a h GLU 697 N 0.33 0.55 -0.27 3.45 5.08 -1.34 0.16 114.58 122.55 1p3a h GLU 697 Ca 0.09 -0.15 0.06 0.00 -1.00 0.00 0.00 59.36 58.36 1p3a h GLU 697 Cb 0.37 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.50 1p3a h GLU 697 CO 0.01 0.64 -0.14 0.00 -1.00 0.00 0.00 179.01 178.52 1p3a h ALA 698 N 0.89 0.07 -0.11 3.43 0.00 -1.12 0.13 119.26 122.55 1p3a h ALA 698 Ca 0.10 0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.14 1p3a h ALA 698 Cb 0.36 0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 1p3a h ALA 698 CO 0.01 -0.55 -0.06 -0.92 0.00 0.00 0.00 179.25 177.73 1p3a h TYR 699 N -0.11 -0.14 -0.38 0.00 3.20 -0.56 -1.99 116.97 117.00 1p3a h TYR 699 Ca 0.14 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.97 1p3a h TYR 699 Cb 0.33 0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.66 1p3a h TYR 699 CO -0.33 -0.09 0.04 -0.07 -1.64 0.00 0.00 178.16 176.07 1p3a h LEU 700 N -0.05 0.62 -1.04 2.82 3.38 -0.07 -0.58 115.31 120.38 1p3a h LEU 700 Ca 0.06 -0.28 0.02 0.00 0.09 0.00 0.00 57.88 57.77 1p3a h LEU 700 Cb 0.15 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.68 1p3a h LEU 700 CO -0.14 0.74 0.65 0.58 0.09 0.00 0.00 178.44 180.36 1p3a h VAL 701 N 0.47 1.22 0.51 1.22 2.07 -0.72 0.95 116.25 121.97 1p3a h VAL 701 Ca 0.11 -0.44 -0.02 0.00 0.82 0.00 0.00 66.70 67.16 1p3a h VAL 701 Cb 0.40 -0.19 0.00 0.00 -1.52 0.00 0.00 31.29 29.99 1p3a h VAL 701 CO 0.01 0.24 -0.24 0.00 0.02 0.00 0.00 177.57 177.59 1p3a h ALA 702 N 1.40 -0.68 -0.35 1.67 0.00 -1.16 -1.79 119.26 118.36 1p3a h ALA 702 Ca 0.37 -0.15 0.07 0.00 0.00 0.00 0.00 54.91 55.20 1p3a h ALA 702 Cb -0.09 0.26 -0.07 0.00 0.00 0.00 0.00 17.79 17.89 1p3a h ALA 702 CO -0.09 -0.87 -0.09 1.25 0.00 0.00 0.00 179.25 179.44 1p3a h LEU 703 N -0.70 -0.34 -1.07 0.00 5.85 -0.55 -2.05 115.31 116.45 1p3a h LEU 703 Ca -0.07 0.11 0.12 0.00 0.84 0.00 0.00 57.88 58.87 1p3a h LEU 703 Cb 0.53 0.22 -0.08 0.00 0.37 0.00 0.00 40.66 41.70 1p3a h LEU 703 CO 0.11 -0.12 0.62 -0.26 -0.34 0.00 0.00 178.44 178.45 1p3a h PHE 704 N -0.01 1.08 -0.25 1.25 0.05 -0.62 -0.02 116.94 118.43 1p3a h PHE 704 Ca 0.17 0.03 -0.01 0.00 3.82 0.00 0.00 57.97 61.98 1p3a h PHE 704 Cb 0.26 -0.35 -0.01 0.00 2.00 0.00 0.00 35.95 37.86 1p3a h PHE 704 CO -0.33 0.44 0.11 0.93 -0.18 0.00 0.00 178.31 179.28 1p3a h GLU 705 N 0.96 0.37 -0.71 1.51 5.08 -0.60 0.12 114.58 121.31 1p3a h GLU 705 Ca 0.48 -0.07 0.01 0.00 -1.00 0.00 0.00 59.36 58.79 1p3a h GLU 705 Cb 0.49 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.64 1p3a h GLU 705 CO -0.24 0.40 0.47 -0.44 -1.00 0.00 0.00 179.01 178.20 1p3a h ASP 706 N 0.26 0.80 -0.80 1.42 5.19 -1.19 0.51 116.42 122.61 1p3a h ASP 706 Ca 0.08 -0.02 -0.02 0.00 -0.62 0.00 0.00 57.03 56.46 1p3a h ASP 706 Cb 0.17 -0.19 -0.04 0.00 0.18 0.00 0.00 39.33 39.45 1p3a h ASP 706 CO -0.01 0.57 0.41 0.74 -3.12 0.00 0.00 179.24 177.83 1p3a h THR 707 N 0.94 1.24 -0.35 0.35 2.02 -0.78 -1.50 112.91 114.83 1p3a h THR 707 Ca 0.27 -0.65 -0.06 0.00 0.77 0.00 0.00 66.41 66.74 1p3a h THR 707 Cb -0.07 0.21 -0.02 0.00 -1.74 0.00 0.00 68.15 66.53 1p3a h THR 707 CO -0.07 0.28 -0.02 -1.13 0.37 0.00 0.00 175.52 174.95 1p3a h ASN 708 N 1.12 0.53 -0.12 4.18 -1.24 0.04 -2.35 115.58 117.75 1p3a h ASN 708 Ca 0.28 -0.11 -0.02 0.00 0.71 0.00 0.00 56.30 57.16 1p3a h ASN 708 Cb 0.08 -0.14 -0.00 0.00 0.73 0.00 0.00 38.32 38.98 1p3a h ASN 708 CO -0.04 0.61 -0.00 -0.07 -1.29 0.00 0.00 177.43 176.64 1p3a h LEU 709 N 0.53 0.20 -1.00 0.34 3.38 -0.07 -2.60 115.31 116.10 1p3a h LEU 709 Ca 0.11 -0.32 0.09 0.00 0.09 0.00 0.00 57.88 57.85 1p3a h LEU 709 Cb 0.37 -0.05 -0.07 0.00 0.09 0.00 0.00 40.66 40.99 1p3a h LEU 709 CO 0.01 0.47 0.63 0.00 0.09 0.00 0.00 178.44 179.65 1p3a h ALA 711 N 1.49 0.51 0.00 0.00 0.00 -1.36 -1.83 119.26 118.06 1p3a h ALA 711 Ca 0.46 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.30 1p3a h ALA 711 Cb 0.31 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1p3a h ALA 711 CO -0.21 -0.03 -0.18 0.82 0.00 0.00 0.00 179.25 179.64 1p3a h ILE 712 N 0.54 0.74 -0.07 0.00 2.04 -0.94 -0.16 117.51 119.66 1p3a h ILE 712 Ca 0.15 -0.75 -0.14 0.00 1.00 0.00 0.00 64.86 65.12 1p3a h ILE 712 Cb -0.05 1.46 -0.01 0.00 -0.74 0.00 0.00 36.82 37.48 1p3a h ILE 712 CO -0.03 0.18 -0.57 -0.74 0.00 0.00 0.00 178.15 176.99 1p3a h HIS 713 N 0.00 0.28 -0.00 1.37 2.76 -0.90 -1.53 115.15 117.13 1p3a h HIS 713 Ca -0.00 -0.10 0.00 0.00 -2.20 0.00 0.00 60.37 58.07 1p3a h HIS 713 Cb 0.44 -0.05 0.00 0.00 1.55 0.00 0.00 27.41 29.35 1p3a h HIS 713 CO 0.00 0.74 -0.06 0.00 -1.30 0.00 0.00 177.93 177.31 1p3a n ALA 714 N -2.47 2.47 -2.11 5.26 0.00 -0.37 -4.91 120.51 118.39 1p3a n ALA 714 Ca -0.02 -0.13 -0.04 0.00 0.00 0.00 0.00 53.44 53.24 1p3a n ALA 714 Cb 0.59 -1.43 -0.00 0.00 0.00 0.00 0.00 19.45 18.61 1p3a n ALA 714 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1p3a n LYS 715 N -1.49 -0.40 -4.40 0.00 5.02 -0.57 -5.05 118.16 111.27 1p3a n LYS 715 Ca 0.07 0.22 -0.25 0.00 -2.02 0.00 0.00 58.31 56.33 1p3a n LYS 715 Cb 0.34 -3.94 -0.09 0.00 -0.02 0.00 0.00 35.03 31.31 1p3a n LYS 715 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1p3a s HIS 716 N -2.25 2.51 0.00 2.13 3.76 -0.21 -5.00 115.29 116.22 1p3a s HIS 716 Ca 0.00 -0.47 0.00 0.00 -0.15 0.00 0.00 55.06 54.45 1p3a s HIS 716 Cb -0.00 -1.49 0.00 0.00 1.11 0.00 0.00 32.58 32.20 1p3a s HIS 716 CO 0.01 0.50 0.32 1.33 -0.85 0.00 0.00 174.74 176.04 1p3a n VAL 717 N -0.92 0.00 -3.71 -0.90 0.24 -1.26 -3.36 118.33 108.41 1p3a n VAL 717 Ca -0.04 -0.35 -0.38 0.00 -2.04 0.00 0.00 64.34 61.52 1p3a n VAL 717 Cb 0.63 1.26 -0.12 0.00 -1.47 0.00 0.00 33.84 34.14 1p3a n VAL 717 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1p3a s THR 718 N -0.08 4.12 0.07 3.34 2.01 -1.26 -5.02 115.64 118.82 1p3a s THR 718 Ca 0.00 -0.78 -0.31 0.00 0.31 0.00 0.00 61.69 60.91 1p3a s THR 718 Cb 0.00 -3.20 -0.08 0.00 0.01 0.00 0.00 72.50 69.23 1p3a s THR 718 CO 0.00 -0.04 1.64 0.27 -0.69 0.00 0.00 174.62 175.80 1p3a s ILE 719 N 1.50 3.07 0.35 1.82 -4.36 -1.26 -4.94 121.20 117.38 1p3a s ILE 719 Ca 0.02 0.51 0.08 0.00 -0.26 0.00 0.00 60.65 61.00 1p3a s ILE 719 Cb -0.18 -3.33 -0.04 0.00 1.25 0.00 0.00 42.46 40.16 1p3a s ILE 719 CO 0.04 -0.00 0.15 -0.04 0.24 0.00 0.00 174.94 175.32 1p3a s MET 720 N 2.64 2.35 0.32 0.37 -1.94 -1.26 -5.00 119.30 116.77 1p3a s MET 720 Ca 0.73 -1.58 0.07 0.00 -1.71 0.00 0.00 55.69 53.20 1p3a s MET 720 Cb -0.39 -2.15 0.77 0.00 2.01 0.00 0.00 34.83 35.06 1p3a s MET 720 CO 0.32 0.08 1.80 -1.35 -0.01 0.00 0.00 175.02 175.86 1p3a h PRO 721 N 1.53 0.72 0.00 2.03 0.11 -2.01 0.85 132.00 135.24 1p3a h PRO 721 Ca -0.43 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.59 1p3a h PRO 721 Cb 1.25 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1p3a h PRO 721 CO 0.64 0.48 -0.18 1.57 -0.21 0.00 0.00 178.00 180.30 1p3a h LYS 722 N 0.74 0.00 -0.26 1.05 2.10 -1.99 -1.05 116.57 117.17 1p3a h LYS 722 Ca 0.55 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 59.18 1p3a h LYS 722 Cb 0.89 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.21 1p3a h LYS 722 CO -0.34 0.18 0.07 -0.44 -2.00 0.00 0.00 179.45 176.92 1p3a h ASP 723 N 0.00 0.39 -0.74 7.07 3.32 -1.19 -0.56 116.42 124.71 1p3a h ASP 723 Ca -0.00 -0.22 -0.04 0.00 0.02 0.00 0.00 57.03 56.79 1p3a h ASP 723 Cb 0.45 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.87 1p3a h ASP 723 CO 0.02 0.51 0.31 0.40 -1.72 0.00 0.00 179.24 178.76 1p3a h ILE 724 N 0.25 1.25 -0.41 0.35 2.04 -1.26 -0.94 117.51 118.79 1p3a h ILE 724 Ca 0.08 -0.77 -0.04 0.00 1.00 0.00 0.00 64.86 65.13 1p3a h ILE 724 Cb 0.27 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 36.67 1p3a h ILE 724 CO -0.00 0.32 0.09 1.56 0.00 0.00 0.00 178.15 180.12 1p3a h GLN 725 N 1.09 0.67 -0.04 2.37 4.20 -0.95 0.70 115.11 123.15 1p3a h GLN 725 Ca 0.25 -0.16 -0.00 0.00 0.06 0.00 0.00 58.65 58.80 1p3a h GLN 725 Cb 0.19 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 27.88 1p3a h GLN 725 CO -0.02 0.69 0.02 1.25 -0.67 0.00 0.00 178.83 180.09 1p3a h LEU 726 N 0.53 0.05 0.42 1.46 5.85 -0.78 -0.68 115.31 122.16 1p3a h LEU 726 Ca 0.13 -0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1p3a h LEU 726 Cb 0.33 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 1p3a h LEU 726 CO 0.00 0.16 -0.44 0.00 -0.34 0.00 0.00 178.44 177.83 1p3a h ALA 727 N 0.89 -0.96 -0.99 1.25 0.00 -1.08 -0.09 119.26 118.28 1p3a h ALA 727 Ca 0.01 -0.15 0.19 0.00 0.00 0.00 0.00 54.91 54.96 1p3a h ALA 727 Cb 0.13 0.64 -0.10 0.00 0.00 0.00 0.00 17.79 18.46 1p3a h ALA 727 CO -0.00 -1.08 0.61 0.00 0.00 0.00 0.00 179.25 178.78 1p3a h ARG 728 N -0.88 0.69 0.48 0.00 2.47 -0.74 0.28 114.38 116.69 1p3a h ARG 728 Ca -0.04 -0.04 -0.02 0.00 -1.26 0.00 0.00 59.98 58.61 1p3a h ARG 728 Cb 0.78 -0.16 0.00 0.00 -1.65 0.00 0.00 29.97 28.95 1p3a h ARG 728 CO -0.08 0.46 -0.23 -0.09 0.56 0.00 0.00 179.97 180.59 1p3a h ARG 729 N 0.71 -0.63 -0.94 0.04 2.43 -0.76 -1.14 114.38 114.09 1p3a h ARG 729 Ca 0.56 0.04 0.16 0.00 -0.81 0.00 0.00 59.98 59.93 1p3a h ARG 729 Cb 0.95 0.14 -0.08 0.00 -0.42 0.00 0.00 29.97 30.56 1p3a h ARG 729 CO -0.35 -0.42 0.60 0.82 -1.51 0.00 0.00 179.97 179.11 1p3a h ILE 730 N -0.92 0.80 -0.14 1.20 2.04 -0.64 0.45 117.51 120.30 1p3a h ILE 730 Ca -0.07 -0.25 0.04 0.00 1.00 0.00 0.00 64.86 65.58 1p3a h ILE 730 Cb 0.50 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 1p3a h ILE 730 CO 0.11 0.13 0.15 0.03 0.00 0.00 0.00 178.15 178.57 1p3a h ARG 731 N 0.73 0.00 0.00 2.37 3.08 -0.42 -3.46 114.38 116.67 1p3a h ARG 731 Ca 0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.54 1p3a h ARG 731 Cb 0.78 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.83 1p3a h ARG 731 CO -0.25 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.06 1p3a n GLY 732 N -1.40 0.80 0.05 0.04 0.00 0.16 -5.01 105.19 99.83 1p3a n GLY 732 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 1p3a n GLY 732 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1p3a n GLU 733 N 0.00 1.70 -3.27 1.61 1.02 -0.46 -4.97 120.64 116.28 1p3a n GLU 733 Ca 0.00 -1.38 0.00 0.00 -0.02 0.00 0.00 57.16 55.76 1p3a n GLU 733 Cb 0.00 -0.91 0.00 0.00 -0.02 0.00 0.00 31.44 30.51 1p3a n GLU 733 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1p3a n ARG 734 N -0.49 -0.93 0.00 3.49 0.63 -1.26 -4.87 116.66 113.24 1p3a n ARG 734 Ca 0.03 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.96 1p3a n ARG 734 Cb 0.42 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.33 1p3a n ARG 734 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12