#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p3f n PRO 638 N 0.00 0.65 -1.70 1.64 -0.02 -1.26 -4.86 135.00 129.46 1p3f n PRO 638 Ca 0.00 0.23 -0.40 0.00 -2.02 0.00 0.00 63.50 61.31 1p3f n PRO 638 Cb 0.00 -1.63 0.02 0.00 -0.02 0.00 0.00 33.50 31.87 1p3f n PRO 638 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 1p3f n HIS 639 N 1.18 2.00 -3.34 6.00 -0.00 -1.26 -5.00 115.22 114.80 1p3f n HIS 639 Ca 0.17 0.49 -0.01 0.00 0.46 0.00 0.00 57.72 58.82 1p3f n HIS 639 Cb 0.21 -2.35 -0.04 0.00 -0.12 0.00 0.00 29.99 27.69 1p3f n HIS 639 CO 0.00 0.00 0.00 0.50 0.46 0.00 0.00 176.34 177.30 1p3f s ARG 640 N -2.33 0.49 0.34 1.57 3.52 -1.26 -5.16 118.95 116.12 1p3f s ARG 640 Ca 0.64 0.97 -0.28 0.00 -0.13 0.00 0.00 55.73 56.93 1p3f s ARG 640 Cb -0.49 0.33 -0.09 0.00 -1.56 0.00 0.00 34.95 33.14 1p3f s ARG 640 CO 0.56 -0.52 1.21 0.71 -0.81 0.00 0.00 175.30 176.45 1p3f s TYR 641 N 2.76 3.18 0.37 5.12 1.51 -1.26 -5.00 117.35 124.04 1p3f s TYR 641 Ca 0.12 1.54 -0.27 0.00 -1.01 0.00 0.00 57.07 57.45 1p3f s TYR 641 Cb -0.14 -3.48 -0.09 0.00 -0.11 0.00 0.00 41.96 38.14 1p3f s TYR 641 CO -0.19 -1.34 1.24 1.03 -1.11 0.00 0.00 175.55 175.19 1p3f s ARG 642 N -1.89 4.17 -0.31 -0.62 0.52 -1.26 -4.86 118.95 114.70 1p3f s ARG 642 Ca 0.51 2.05 -0.41 0.00 -0.52 0.00 0.00 55.73 57.35 1p3f s ARG 642 Cb -0.35 -2.87 -0.17 0.00 0.52 0.00 0.00 34.95 32.09 1p3f s ARG 642 CO 0.45 -0.29 1.70 -0.35 0.02 0.00 0.00 175.30 176.83 1p3f n PRO 643 N 0.41 0.90 0.00 3.54 -0.04 -1.26 -1.11 135.00 137.43 1p3f n PRO 643 Ca 0.02 0.33 0.00 0.00 -0.04 0.00 0.00 63.50 63.81 1p3f n PRO 643 Cb 0.44 -1.97 0.00 0.00 -0.04 0.00 0.00 33.50 31.93 1p3f n PRO 643 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1p3f n GLY 644 N 4.08 2.45 0.07 0.55 0.00 -1.26 -4.96 105.19 106.12 1p3f n GLY 644 Ca 0.27 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.16 1p3f n GLY 644 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1p3f h THR 645 N 0.00 1.33 -0.78 2.61 2.02 -1.46 -1.73 112.91 114.90 1p3f h THR 645 Ca 0.00 -0.99 -0.05 0.00 0.77 0.00 0.00 66.41 66.14 1p3f h THR 645 Cb 0.00 1.93 -0.03 0.00 -1.74 0.00 0.00 68.15 68.31 1p3f h THR 645 CO 0.00 0.27 0.31 0.58 0.37 0.00 0.00 175.52 177.04 1p3f h VAL 646 N -0.33 1.26 -0.40 3.16 2.07 -1.93 -1.29 116.25 118.79 1p3f h VAL 646 Ca 0.01 -0.82 0.07 0.00 0.82 0.00 0.00 66.70 66.78 1p3f h VAL 646 Cb 0.44 0.34 -0.06 0.00 -1.52 0.00 0.00 31.29 30.48 1p3f h VAL 646 CO 0.00 0.33 0.01 0.00 0.02 0.00 0.00 177.57 177.94 1p3f h ALA 647 N 1.16 0.38 -0.16 1.67 0.00 -1.88 0.33 119.26 120.76 1p3f h ALA 647 Ca 0.26 0.11 -0.09 0.00 0.00 0.00 0.00 54.91 55.19 1p3f h ALA 647 Cb 0.22 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1p3f h ALA 647 CO -0.02 -0.38 -0.29 -0.07 0.00 0.00 0.00 179.25 178.48 1p3f h LEU 648 N 0.12 0.30 -1.04 0.00 3.38 -1.05 0.59 115.31 117.61 1p3f h LEU 648 Ca 0.20 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 1p3f h LEU 648 Cb 0.28 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1p3f h LEU 648 CO -0.32 0.59 0.11 -0.09 0.09 0.00 0.00 178.44 178.82 1p3f h ARG 649 N 0.27 0.80 -0.00 1.13 2.43 0.22 -1.65 114.38 117.57 1p3f h ARG 649 Ca 0.04 -0.17 -0.23 0.00 -0.81 0.00 0.00 59.98 58.81 1p3f h ARG 649 Cb 0.65 -0.12 0.01 0.00 -0.42 0.00 0.00 29.97 30.09 1p3f h ARG 649 CO 0.05 0.73 -0.95 0.93 -1.51 0.00 0.00 179.97 179.22 1p3f h GLU 650 N 0.77 0.45 -0.14 0.20 5.08 0.15 -1.50 114.58 119.59 1p3f h GLU 650 Ca 0.17 -0.49 0.01 0.00 -1.00 0.00 0.00 59.36 58.06 1p3f h GLU 650 Cb 0.31 0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 1p3f h GLU 650 CO 0.00 1.14 0.04 0.82 -1.00 0.00 0.00 179.01 180.01 1p3f h ILE 651 N 0.25 0.96 -0.98 3.13 2.04 -0.65 0.82 117.51 123.08 1p3f h ILE 651 Ca -0.09 -0.04 0.13 0.00 1.00 0.00 0.00 64.86 65.87 1p3f h ILE 651 Cb 1.59 0.84 -0.08 0.00 -0.74 0.00 0.00 36.82 38.43 1p3f h ILE 651 CO 0.17 0.02 0.62 0.03 0.00 0.00 0.00 178.15 178.98 1p3f h ARG 652 N 0.10 0.88 0.13 2.37 3.08 -1.15 0.16 114.38 119.95 1p3f h ARG 652 Ca 0.06 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 1p3f h ARG 652 Cb 0.04 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 29.90 1p3f h ARG 652 CO -0.07 0.58 -0.06 -0.09 -1.07 0.00 0.00 179.97 179.26 1p3f h ARG 653 N 0.90 -0.17 -0.21 0.04 2.43 -0.73 -2.84 114.38 113.80 1p3f h ARG 653 Ca 0.49 0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 59.56 1p3f h ARG 653 Cb 0.58 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.16 1p3f h ARG 653 CO -0.26 0.25 -0.36 1.88 -1.51 0.00 0.00 179.97 179.97 1p3f h TYR 654 N -0.66 0.52 0.00 2.20 0.99 -0.40 -1.94 116.97 117.68 1p3f h TYR 654 Ca -0.02 -0.14 0.00 0.00 2.00 0.00 0.00 58.73 60.58 1p3f h TYR 654 Cb 0.50 -0.12 0.00 0.00 1.00 0.00 0.00 36.73 38.11 1p3f h TYR 654 CO 0.07 0.75 0.00 1.04 -0.00 0.00 0.00 178.16 180.02 1p3f n GLN 655 N -4.06 0.15 0.00 4.88 6.02 0.00 -2.11 117.38 122.27 1p3f n GLN 655 Ca -0.01 0.34 0.12 0.00 -0.01 0.00 0.00 57.00 57.44 1p3f n GLN 655 Cb 0.47 -1.77 0.24 0.00 1.02 0.00 0.00 30.24 30.21 1p3f n GLN 655 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 1p3f n LYS 656 N -2.05 0.36 -4.01 -1.09 4.81 -0.74 -4.97 118.16 110.48 1p3f n LYS 656 Ca 0.03 -0.23 -0.21 0.00 -0.87 0.00 0.00 58.31 57.03 1p3f n LYS 656 Cb 0.25 -1.50 -0.06 0.00 0.02 0.00 0.00 35.03 33.74 1p3f n LYS 656 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1p3f n SER 657 N -1.12 1.22 -0.36 3.14 3.41 -0.90 -5.09 113.62 113.93 1p3f n SER 657 Ca 0.08 -2.82 0.02 0.00 -0.26 0.00 0.00 58.87 55.89 1p3f n SER 657 Cb 0.35 0.85 0.02 0.00 -0.26 0.00 0.00 64.21 65.17 1p3f n SER 657 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1p3f n THR 658 N -0.77 0.31 -1.51 6.66 -2.24 -1.26 -4.97 114.28 110.50 1p3f n THR 658 Ca -0.05 -0.37 -0.31 0.00 -2.27 0.00 0.00 64.05 61.05 1p3f n THR 658 Cb 0.51 0.45 0.06 0.00 -2.10 0.00 0.00 70.33 69.25 1p3f n THR 658 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1p3f s GLU 659 N -0.46 2.75 0.78 -0.78 8.01 -1.26 -4.99 118.70 122.74 1p3f s GLU 659 Ca 0.05 1.04 -0.11 0.00 0.01 0.00 0.00 54.97 55.96 1p3f s GLU 659 Cb 0.04 -1.96 0.06 0.00 -4.31 0.00 0.00 34.13 27.96 1p3f s GLU 659 CO 0.00 -1.25 1.08 -0.51 0.01 0.00 0.00 175.26 174.60 1p3f s LEU 660 N -5.58 2.92 0.00 1.80 1.43 -1.26 -4.97 118.68 113.02 1p3f s LEU 660 Ca 0.59 1.70 0.00 0.00 -1.03 0.00 0.00 54.13 55.39 1p3f s LEU 660 Cb -0.15 -4.39 0.00 0.00 0.03 0.00 0.00 46.19 41.68 1p3f s LEU 660 CO 0.54 -1.99 0.09 0.18 0.23 0.00 0.00 176.35 175.40 1p3f n LEU 661 N -3.48 0.19 -4.86 1.79 4.77 -1.26 -4.96 117.00 109.17 1p3f n LEU 661 Ca 0.08 -0.59 -0.37 0.00 -0.03 0.00 0.00 56.01 55.10 1p3f n LEU 661 Cb 0.54 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.57 1p3f n LEU 661 CO 0.54 0.05 -0.06 -0.63 -1.33 0.00 0.00 177.39 175.96 1p3f s ILE 662 N -0.80 5.31 0.23 -0.08 1.01 -1.26 -5.01 121.20 120.59 1p3f s ILE 662 Ca 0.00 0.46 -0.31 0.00 0.00 0.00 0.00 60.65 60.80 1p3f s ILE 662 Cb 0.00 -3.53 -0.14 0.00 0.01 0.00 0.00 42.46 38.80 1p3f s ILE 662 CO 0.00 0.59 1.23 0.54 0.00 0.00 0.00 174.94 177.30 1p3f n ARG 663 N 1.88 1.58 0.39 2.79 5.12 -1.26 -4.89 116.66 122.27 1p3f n ARG 663 Ca -0.17 0.56 -0.17 0.00 -1.93 0.00 0.00 57.85 56.14 1p3f n ARG 663 Cb 0.54 -2.10 -0.08 0.00 -1.16 0.00 0.00 32.46 29.66 1p3f n ARG 663 CO 0.00 0.00 0.00 0.87 -1.93 0.00 0.00 177.63 176.57 1p3f h LYS 664 N 3.34 -0.96 -0.55 5.56 1.57 -1.98 -2.52 116.57 121.04 1p3f h LYS 664 Ca -0.43 0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 58.35 1p3f h LYS 664 Cb 1.31 0.22 -0.02 0.00 0.08 0.00 0.00 32.23 33.82 1p3f h LYS 664 CO 0.70 -0.62 0.12 1.25 -0.57 0.00 0.00 179.45 180.33 1p3f h LEU 665 N -1.13 0.84 -0.33 2.94 5.85 -2.00 -2.40 115.31 119.08 1p3f h LEU 665 Ca -0.10 -0.24 0.07 0.00 0.84 0.00 0.00 57.88 58.44 1p3f h LEU 665 Cb 0.78 -0.22 -0.07 0.00 0.37 0.00 0.00 40.66 41.52 1p3f h LEU 665 CO 0.17 0.87 -0.11 -0.65 -0.34 0.00 0.00 178.44 178.38 1p3f h PRO 666 N 0.78 -0.04 -0.96 5.25 0.11 -1.92 -1.85 132.00 133.38 1p3f h PRO 666 Ca 0.17 0.00 0.17 0.00 0.11 0.00 0.00 66.00 66.45 1p3f h PRO 666 Cb 0.37 0.01 -0.10 0.00 0.11 0.00 0.00 31.00 31.39 1p3f h PRO 666 CO 0.01 -0.03 0.56 0.35 -0.21 0.00 0.00 178.00 178.68 1p3f h PHE 667 N -0.04 0.99 -0.52 0.65 3.57 -1.28 -1.07 116.94 119.23 1p3f h PHE 667 Ca 0.16 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.75 1p3f h PHE 667 Cb 0.29 -0.29 -0.03 0.00 2.79 0.00 0.00 35.95 38.70 1p3f h PHE 667 CO -0.33 0.25 0.35 0.37 -2.23 0.00 0.00 178.31 176.72 1p3f h GLN 668 N 0.76 0.46 -0.02 1.11 4.15 -0.82 -0.63 115.11 120.10 1p3f h GLN 668 Ca 0.53 -0.03 -0.17 0.00 0.77 0.00 0.00 58.65 59.75 1p3f h GLN 668 Cb 0.76 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 28.33 1p3f h GLN 668 CO -0.36 0.30 -0.76 0.00 -1.93 0.00 0.00 178.83 176.09 1p3f h ARG 669 N 0.47 0.16 -0.30 1.69 3.08 -0.94 0.25 114.38 118.79 1p3f h ARG 669 Ca 0.22 -0.15 -0.11 0.00 0.07 0.00 0.00 59.98 60.02 1p3f h ARG 669 Cb 0.29 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 1p3f h ARG 669 CO -0.06 0.84 -0.26 1.25 -1.07 0.00 0.00 179.97 180.67 1p3f h LEU 670 N 0.10 0.60 -0.01 3.04 5.85 -0.97 0.26 115.31 124.19 1p3f h LEU 670 Ca -0.02 -0.22 -0.00 0.00 0.84 0.00 0.00 57.88 58.48 1p3f h LEU 670 Cb 1.33 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 42.19 1p3f h LEU 670 CO 0.11 0.84 0.00 0.58 -0.34 0.00 0.00 178.44 179.64 1p3f h VAL 671 N 0.52 1.19 0.00 1.05 2.07 -0.51 0.23 116.25 120.79 1p3f h VAL 671 Ca 0.07 -0.56 -0.02 0.00 0.82 0.00 0.00 66.70 67.01 1p3f h VAL 671 Cb 0.72 1.55 -0.00 0.00 -1.52 0.00 0.00 31.29 32.03 1p3f h VAL 671 CO 0.06 0.15 -0.09 0.03 0.02 0.00 0.00 177.57 177.73 1p3f h ARG 672 N -0.21 0.00 0.02 1.57 3.08 -0.24 0.75 114.38 119.35 1p3f h ARG 672 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 1p3f h ARG 672 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.29 1p3f h ARG 672 CO 0.00 0.09 -0.01 1.49 -1.07 0.00 0.00 179.97 180.48 1p3f h GLU 673 N 0.00 -0.02 -0.63 0.04 4.81 0.28 -2.61 114.58 116.45 1p3f h GLU 673 Ca -0.00 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.28 1p3f h GLU 673 Cb 0.36 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.70 1p3f h GLU 673 CO 0.01 0.63 0.36 0.82 -0.73 0.00 0.00 179.01 180.10 1p3f h ILE 674 N -0.97 1.00 -0.75 2.32 2.04 -0.30 -0.67 117.51 120.18 1p3f h ILE 674 Ca -0.00 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.63 1p3f h ILE 674 Cb 0.66 0.26 -0.04 0.00 -0.74 0.00 0.00 36.82 36.97 1p3f h ILE 674 CO 0.00 0.12 0.48 0.00 0.00 0.00 0.00 178.15 178.75 1p3f h ALA 675 N 1.31 0.95 0.03 1.87 0.00 -0.94 -2.98 119.26 119.50 1p3f h ALA 675 Ca 0.27 -0.07 -0.25 0.00 0.00 0.00 0.00 54.91 54.86 1p3f h ALA 675 Cb 0.13 -0.30 0.01 0.00 0.00 0.00 0.00 17.79 17.63 1p3f h ALA 675 CO -0.16 0.39 -1.04 0.37 0.00 0.00 0.00 179.25 178.81 1p3f h GLN 676 N 1.02 0.53 -2.88 0.00 4.15 -1.04 -0.56 115.11 116.32 1p3f h GLN 676 Ca 0.27 -0.60 -0.71 0.00 0.77 0.00 0.00 58.65 58.37 1p3f h GLN 676 Cb -0.08 0.18 -0.06 0.00 0.21 0.00 0.00 27.48 27.72 1p3f h GLN 676 CO -0.06 1.23 2.97 -0.25 -1.93 0.00 0.00 178.83 180.79 1p3f n ASP 677 N -3.77 7.95 0.00 -0.69 8.00 -0.30 -2.29 116.55 125.45 1p3f n ASP 677 Ca -0.09 -2.91 0.00 0.00 0.71 0.00 0.00 54.79 52.50 1p3f n ASP 677 Cb 0.89 -1.46 0.00 0.00 -0.02 0.00 0.00 41.12 40.53 1p3f n ASP 677 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1p3f n PHE 678 N 2.76 0.00 0.00 1.24 3.01 -1.03 -4.91 117.46 118.53 1p3f n PHE 678 Ca 0.67 0.00 0.00 0.00 1.01 0.00 0.00 57.45 59.13 1p3f n PHE 678 Cb 0.25 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.72 1p3f n PHE 678 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 1p3f n LYS 679 N -0.10 0.00 -2.12 -1.08 0.00 -0.25 -5.08 118.16 109.54 1p3f n LYS 679 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 58.31 58.04 1p3f n LYS 679 Cb 0.00 0.00 0.11 0.00 0.00 0.00 0.00 35.03 35.14 1p3f n LYS 679 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 1p3f s THR 680 N 0.00 2.12 -1.36 3.15 -4.23 -1.26 -4.00 115.64 110.07 1p3f s THR 680 Ca 0.00 -0.19 -0.03 0.00 -1.18 0.00 0.00 61.69 60.29 1p3f s THR 680 Cb 0.00 -2.94 -0.00 0.00 1.34 0.00 0.00 72.50 70.90 1p3f s THR 680 CO 0.00 0.00 0.50 0.47 -0.54 0.00 0.00 174.62 175.05 1p3f n ASP 681 N -3.23 -1.08 -4.89 3.99 9.92 -1.26 -4.96 116.55 115.04 1p3f n ASP 681 Ca 0.11 -0.99 -0.21 0.00 -0.53 0.00 0.00 54.79 53.17 1p3f n ASP 681 Cb 0.60 -3.20 -0.03 0.00 -0.64 0.00 0.00 41.12 37.86 1p3f n ASP 681 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1p3f s LEU 682 N -6.87 3.76 0.15 0.64 1.43 -1.26 -5.14 118.68 111.38 1p3f s LEU 682 Ca 0.07 -0.36 0.01 0.00 -1.03 0.00 0.00 54.13 52.82 1p3f s LEU 682 Cb -0.03 -2.40 -0.04 0.00 0.03 0.00 0.00 46.19 43.76 1p3f s LEU 682 CO 0.88 -0.32 0.00 -0.13 0.23 0.00 0.00 176.35 177.01 1p3f s ARG 683 N -4.02 1.01 -0.02 1.70 0.52 -1.26 -5.11 118.95 111.78 1p3f s ARG 683 Ca 0.40 -1.47 0.01 0.00 -0.52 0.00 0.00 55.73 54.15 1p3f s ARG 683 Cb -0.07 -0.14 0.01 0.00 0.52 0.00 0.00 34.95 35.27 1p3f s ARG 683 CO 0.28 -0.14 -0.02 -0.06 0.02 0.00 0.00 175.30 175.37 1p3f s PHE 684 N -3.74 0.41 0.35 -0.53 0.40 -1.26 -5.11 117.98 108.51 1p3f s PHE 684 Ca 0.22 -0.06 -0.27 0.00 -0.60 0.00 0.00 56.93 56.21 1p3f s PHE 684 Cb 0.06 -0.39 -0.09 0.00 0.51 0.00 0.00 43.02 43.12 1p3f s PHE 684 CO 0.02 -0.09 1.11 -0.65 0.70 0.00 0.00 175.22 176.31 1p3f s GLN 685 N 0.55 4.33 0.54 0.44 -0.21 -1.26 -4.88 119.66 119.16 1p3f s GLN 685 Ca -0.06 1.74 0.20 0.00 0.02 0.00 0.00 55.36 57.26 1p3f s GLN 685 Cb -0.09 -2.85 1.40 0.00 1.00 0.00 0.00 33.01 32.47 1p3f s GLN 685 CO -0.01 -0.05 2.14 0.66 -2.12 0.00 0.00 175.29 175.91 1p3f h SER 686 N 3.08 0.00 0.49 5.90 4.64 -2.01 0.05 113.55 125.71 1p3f h SER 686 Ca -0.48 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.81 1p3f h SER 686 Cb 1.22 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1p3f h SER 686 CO 0.64 0.00 -0.14 0.77 -0.87 0.00 0.00 176.83 177.23 1p3f h SER 687 N 0.00 0.00 0.18 4.97 4.64 -1.98 -1.19 113.55 120.17 1p3f h SER 687 Ca 0.04 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.17 1p3f h SER 687 Cb 0.19 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.28 1p3f h SER 687 CO -0.00 0.14 -0.76 0.00 -0.87 0.00 0.00 176.83 175.35 1p3f h ALA 688 N 1.86 0.52 -0.25 5.18 0.00 -1.35 0.68 119.26 125.90 1p3f h ALA 688 Ca -0.00 -0.61 -0.13 0.00 0.00 0.00 0.00 54.91 54.17 1p3f h ALA 688 Cb 0.43 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1p3f h ALA 688 CO 0.02 0.75 -0.38 0.28 0.00 0.00 0.00 179.25 179.92 1p3f h VAL 689 N 0.33 1.29 -0.18 0.00 2.07 -1.11 -1.84 116.25 116.81 1p3f h VAL 689 Ca -0.04 -1.52 -0.09 0.00 0.82 0.00 0.00 66.70 65.87 1p3f h VAL 689 Cb 1.35 1.51 -0.01 0.00 -1.52 0.00 0.00 31.29 32.62 1p3f h VAL 689 CO 0.14 0.48 -0.28 0.24 0.02 0.00 0.00 177.57 178.17 1p3f h MET 690 N 0.47 0.34 -0.22 1.57 2.86 -1.03 -1.47 114.93 117.45 1p3f h MET 690 Ca 0.05 -0.13 -0.18 0.00 -2.06 0.00 0.00 59.70 57.37 1p3f h MET 690 Cb 0.87 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.51 1p3f h MET 690 CO 0.07 0.60 -0.58 0.00 1.06 0.00 0.00 176.91 178.06 1p3f h ALA 691 N 1.40 0.37 -0.36 6.32 0.00 -0.57 -1.04 119.26 125.38 1p3f h ALA 691 Ca 0.04 -0.53 0.04 0.00 0.00 0.00 0.00 54.91 54.47 1p3f h ALA 691 Cb 0.66 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 1p3f h ALA 691 CO 0.05 0.61 0.14 -0.07 0.00 0.00 0.00 179.25 179.97 1p3f h LEU 692 N 0.53 0.16 -1.14 0.00 3.38 -1.15 -0.68 115.31 116.41 1p3f h LEU 692 Ca -0.01 0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 1p3f h LEU 692 Cb 1.20 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 1p3f h LEU 692 CO 0.13 0.13 -0.18 -0.61 0.09 0.00 0.00 178.44 177.99 1p3f h GLN 693 N 0.30 0.38 -0.00 1.13 4.15 -1.05 0.02 115.11 120.03 1p3f h GLN 693 Ca 0.16 -0.12 -0.18 0.00 0.77 0.00 0.00 58.65 59.28 1p3f h GLN 693 Cb 0.12 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.76 1p3f h GLN 693 CO -0.15 0.56 -0.82 0.93 -1.93 0.00 0.00 178.83 177.41 1p3f h GLU 694 N 0.35 0.13 -0.40 1.69 4.39 -0.65 -2.67 114.58 117.40 1p3f h GLU 694 Ca 0.06 -0.13 -0.06 0.00 0.34 0.00 0.00 59.36 59.57 1p3f h GLU 694 Cb 0.53 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.20 1p3f h GLU 694 CO 0.03 0.88 0.03 0.00 -1.16 0.00 0.00 179.01 178.79 1p3f h ALA 695 N 1.08 0.54 -0.21 3.43 0.00 -0.74 -2.12 119.26 121.25 1p3f h ALA 695 Ca -0.03 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 1p3f h ALA 695 Cb 1.43 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1p3f h ALA 695 CO 0.12 0.29 0.03 0.77 0.00 0.00 0.00 179.25 180.46 1p3f h SER 696 N 0.53 0.34 -0.22 0.00 0.02 -0.97 -1.73 113.55 111.51 1p3f h SER 696 Ca 0.12 -0.27 -0.13 0.00 -0.84 0.00 0.00 61.79 60.67 1p3f h SER 696 Cb 0.43 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.87 1p3f h SER 696 CO 0.01 0.52 -0.31 -0.33 -1.14 0.00 0.00 176.83 175.59 1p3f h GLU 697 N 0.14 0.73 0.00 3.45 5.08 -1.52 0.40 114.58 122.86 1p3f h GLU 697 Ca 0.06 -0.33 -0.05 0.00 -1.00 0.00 0.00 59.36 58.04 1p3f h GLU 697 Cb 0.33 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 1p3f h GLU 697 CO 0.01 0.94 -0.22 0.00 -1.00 0.00 0.00 179.01 178.73 1p3f h ALA 698 N 1.04 1.09 0.00 3.43 0.00 -1.28 0.20 119.26 123.73 1p3f h ALA 698 Ca 0.07 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1p3f h ALA 698 Cb 0.83 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1p3f h ALA 698 CO 0.07 0.28 -0.00 -0.92 0.00 0.00 0.00 179.25 178.68 1p3f h TYR 699 N 0.00 -0.00 -0.61 0.00 3.20 -0.76 -3.05 116.97 115.74 1p3f h TYR 699 Ca -0.00 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 61.94 1p3f h TYR 699 Cb 0.66 0.00 -0.06 0.00 1.54 0.00 0.00 36.73 38.87 1p3f h TYR 699 CO 0.00 0.78 0.29 -0.07 -1.64 0.00 0.00 178.16 177.52 1p3f h LEU 700 N -0.99 0.37 -0.68 2.82 3.38 -0.02 0.16 115.31 120.35 1p3f h LEU 700 Ca -0.00 0.05 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 1p3f h LEU 700 Cb 0.78 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.50 1p3f h LEU 700 CO 0.00 0.23 0.18 0.58 0.09 0.00 0.00 178.44 179.52 1p3f h VAL 701 N 0.52 1.26 0.00 1.22 2.07 -0.73 -1.00 116.25 119.59 1p3f h VAL 701 Ca 0.29 -0.94 -0.03 0.00 0.82 0.00 0.00 66.70 66.85 1p3f h VAL 701 Cb 0.28 0.57 -0.00 0.00 -1.52 0.00 0.00 31.29 30.62 1p3f h VAL 701 CO -0.24 0.36 -0.12 0.00 0.02 0.00 0.00 177.57 177.59 1p3f h ALA 702 N 1.08 1.10 0.01 1.67 0.00 -1.32 -2.62 119.26 119.17 1p3f h ALA 702 Ca 0.21 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1p3f h ALA 702 Cb 0.35 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1p3f h ALA 702 CO 0.00 0.15 -0.12 1.25 0.00 0.00 0.00 179.25 180.53 1p3f h LEU 703 N 0.00 0.09 -1.19 0.00 6.46 0.52 -3.16 115.31 118.03 1p3f h LEU 703 Ca -0.00 -0.88 0.15 0.00 -0.12 0.00 0.00 57.88 57.04 1p3f h LEU 703 Cb 0.51 -0.03 -0.08 0.00 -0.73 0.00 0.00 40.66 40.33 1p3f h LEU 703 CO 0.02 0.95 0.60 -0.26 -0.62 0.00 0.00 178.44 179.13 1p3f h PHE 704 N -0.77 0.92 -0.01 1.25 0.05 -0.93 -0.28 116.94 117.16 1p3f h PHE 704 Ca -0.02 0.03 0.03 0.00 3.82 0.00 0.00 57.97 61.83 1p3f h PHE 704 Cb 0.98 -0.29 -0.05 0.00 2.00 0.00 0.00 35.95 38.60 1p3f h PHE 704 CO 0.23 0.31 -0.27 0.93 -0.18 0.00 0.00 178.31 179.32 1p3f h GLU 705 N 0.75 -0.39 -0.98 1.51 5.08 -1.54 0.61 114.58 119.62 1p3f h GLU 705 Ca 0.49 0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.88 1p3f h GLU 705 Cb 0.75 0.09 -0.05 0.00 0.50 0.00 0.00 28.75 30.05 1p3f h GLU 705 CO -0.25 -0.26 0.64 -0.44 -1.00 0.00 0.00 179.01 177.69 1p3f h ASP 706 N -0.41 1.13 -0.44 1.42 3.32 -1.04 0.11 116.42 120.51 1p3f h ASP 706 Ca 0.07 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 1p3f h ASP 706 Cb 0.50 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 1p3f h ASP 706 CO -0.25 0.83 0.24 0.74 -1.72 0.00 0.00 179.24 179.09 1p3f h THR 707 N 1.33 1.16 -0.54 0.35 2.02 -0.93 0.26 112.91 116.56 1p3f h THR 707 Ca 0.36 -0.41 -0.05 0.00 0.77 0.00 0.00 66.41 67.08 1p3f h THR 707 Cb -0.14 0.62 -0.03 0.00 -1.74 0.00 0.00 68.15 66.87 1p3f h THR 707 CO -0.08 0.17 0.15 -1.13 0.37 0.00 0.00 175.52 175.00 1p3f h ASN 708 N 0.58 0.75 -0.22 4.18 -1.24 0.12 -0.29 115.58 119.46 1p3f h ASN 708 Ca 0.16 -0.12 -0.09 0.00 0.71 0.00 0.00 56.30 56.95 1p3f h ASN 708 Cb 0.05 -0.20 -0.00 0.00 0.73 0.00 0.00 38.32 38.90 1p3f h ASN 708 CO -0.03 0.73 -0.21 -0.07 -1.29 0.00 0.00 177.43 176.57 1p3f h LEU 709 N 0.79 0.56 -0.49 0.34 3.38 -0.11 -2.78 115.31 117.00 1p3f h LEU 709 Ca 0.18 -0.47 0.06 0.00 0.09 0.00 0.00 57.88 57.74 1p3f h LEU 709 Cb 0.26 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.80 1p3f h LEU 709 CO -0.01 0.92 0.20 0.00 0.09 0.00 0.00 178.44 179.64 1p3f h ALA 711 N 1.31 -0.46 -0.84 0.00 0.00 -1.06 -1.72 119.26 116.48 1p3f h ALA 711 Ca 0.23 -0.05 0.20 0.00 0.00 0.00 0.00 54.91 55.29 1p3f h ALA 711 Cb 0.21 0.42 -0.06 0.00 0.00 0.00 0.00 17.79 18.37 1p3f h ALA 711 CO -0.21 -0.81 0.57 0.82 0.00 0.00 0.00 179.25 179.62 1p3f h ILE 712 N -0.49 0.69 0.00 0.00 2.04 -1.40 0.58 117.51 118.94 1p3f h ILE 712 Ca 0.02 -0.11 -0.03 0.00 1.00 0.00 0.00 64.86 65.75 1p3f h ILE 712 Cb 0.50 0.34 -0.00 0.00 -0.74 0.00 0.00 36.82 36.92 1p3f h ILE 712 CO -0.14 0.06 -0.12 -0.74 0.00 0.00 0.00 178.15 177.21 1p3f h HIS 713 N 0.32 0.00 -0.44 1.37 2.76 -0.67 0.47 115.15 118.96 1p3f h HIS 713 Ca 0.43 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.60 1p3f h HIS 713 Cb 1.17 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.13 1p3f h HIS 713 CO -0.00 0.12 0.00 0.00 -1.30 0.00 0.00 177.93 176.75 1p3f n ALA 714 N -2.43 2.97 -2.19 5.26 0.00 0.20 -4.92 120.51 119.41 1p3f n ALA 714 Ca -0.02 -1.09 -0.20 0.00 0.00 0.00 0.00 53.44 52.13 1p3f n ALA 714 Cb 0.20 -1.03 -0.03 0.00 0.00 0.00 0.00 19.45 18.60 1p3f n ALA 714 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1p3f n LYS 715 N 0.66 -1.52 -4.47 0.00 5.02 0.16 -5.00 118.16 113.01 1p3f n LYS 715 Ca 0.18 1.00 -0.27 0.00 -2.02 0.00 0.00 58.31 57.20 1p3f n LYS 715 Cb 0.67 -5.53 -0.10 0.00 -0.02 0.00 0.00 35.03 30.06 1p3f n LYS 715 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1p3f s ARG 716 N -4.67 2.05 0.00 1.97 0.52 -0.94 -4.97 118.95 112.91 1p3f s ARG 716 Ca 0.00 -2.04 0.00 0.00 -0.52 0.00 0.00 55.73 53.17 1p3f s ARG 716 Cb 0.00 -1.75 0.00 0.00 0.52 0.00 0.00 34.95 33.72 1p3f s ARG 716 CO 0.00 -0.09 0.50 1.33 0.02 0.00 0.00 175.30 177.06 1p3f n VAL 717 N -1.07 0.16 -3.70 3.52 0.24 -1.26 -3.16 118.33 113.05 1p3f n VAL 717 Ca -0.04 -0.48 -0.38 0.00 -2.04 0.00 0.00 64.34 61.40 1p3f n VAL 717 Cb 0.66 1.09 -0.12 0.00 -1.47 0.00 0.00 33.84 34.00 1p3f n VAL 717 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1p3f s THR 718 N -0.16 4.12 0.58 3.34 2.01 -1.26 -5.00 115.64 119.27 1p3f s THR 718 Ca 0.00 -0.88 -0.20 0.00 0.31 0.00 0.00 61.69 60.93 1p3f s THR 718 Cb 0.00 -3.25 -0.04 0.00 0.01 0.00 0.00 72.50 69.22 1p3f s THR 718 CO 0.00 -0.10 1.26 0.27 -0.69 0.00 0.00 174.62 175.36 1p3f s ILE 719 N 1.49 2.40 0.21 1.82 -4.36 -1.26 -4.93 121.20 116.57 1p3f s ILE 719 Ca 0.01 0.27 0.01 0.00 -0.26 0.00 0.00 60.65 60.67 1p3f s ILE 719 Cb -0.19 -3.12 -0.05 0.00 1.25 0.00 0.00 42.46 40.36 1p3f s ILE 719 CO 0.04 -0.04 0.08 -0.04 0.24 0.00 0.00 174.94 175.22 1p3f s MET 720 N -3.17 1.23 0.24 0.37 -1.94 -1.26 -5.02 119.30 109.75 1p3f s MET 720 Ca 0.76 -1.64 -0.06 0.00 -1.71 0.00 0.00 55.69 53.04 1p3f s MET 720 Cb -0.34 -0.08 0.43 0.00 2.01 0.00 0.00 34.83 36.84 1p3f s MET 720 CO 0.38 -0.27 1.70 -1.35 -0.01 0.00 0.00 175.02 175.47 1p3f h PRO 721 N 2.57 0.29 0.00 2.03 0.11 -2.00 0.28 132.00 135.27 1p3f h PRO 721 Ca -0.37 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.71 1p3f h PRO 721 Cb 1.23 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 1p3f h PRO 721 CO 0.59 0.19 -0.05 1.57 -0.21 0.00 0.00 178.00 180.09 1p3f h LYS 722 N 0.30 0.00 0.28 1.05 2.10 -1.97 -1.15 116.57 117.18 1p3f h LYS 722 Ca 0.39 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 59.03 1p3f h LYS 722 Cb 0.64 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.98 1p3f h LYS 722 CO -0.47 0.05 -0.13 -0.44 -2.00 0.00 0.00 179.45 176.46 1p3f h ASP 723 N 0.00 -0.32 -0.89 7.07 3.32 -0.79 -1.35 116.42 123.46 1p3f h ASP 723 Ca -0.00 -0.19 0.17 0.00 0.02 0.00 0.00 57.03 57.03 1p3f h ASP 723 Cb 0.23 0.08 -0.10 0.00 0.22 0.00 0.00 39.33 39.76 1p3f h ASP 723 CO 0.01 0.05 0.47 0.40 -1.72 0.00 0.00 179.24 178.44 1p3f h ILE 724 N -0.72 0.68 0.00 0.35 2.04 -1.31 0.34 117.51 118.88 1p3f h ILE 724 Ca -0.04 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 65.60 1p3f h ILE 724 Cb 0.49 0.01 -0.00 0.00 -0.74 0.00 0.00 36.82 36.58 1p3f h ILE 724 CO 0.06 0.11 -0.06 1.56 0.00 0.00 0.00 178.15 179.82 1p3f h GLN 725 N 0.62 0.00 0.13 2.37 4.20 -1.05 -2.18 115.11 119.18 1p3f h GLN 725 Ca 0.50 0.00 -0.34 0.00 0.06 0.00 0.00 58.65 58.88 1p3f h GLN 725 Cb 0.77 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.54 1p3f h GLN 725 CO -0.39 0.06 -1.79 1.25 -0.67 0.00 0.00 178.83 177.29 1p3f h LEU 726 N 0.00 0.41 -1.00 1.46 5.85 0.74 -2.05 115.31 120.73 1p3f h LEU 726 Ca -0.00 -0.89 0.06 0.00 0.84 0.00 0.00 57.88 57.88 1p3f h LEU 726 Cb 0.47 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.30 1p3f h LEU 726 CO 0.01 1.78 0.64 0.00 -0.34 0.00 0.00 178.44 180.53 1p3f h ALA 727 N 0.00 1.36 0.01 1.25 0.00 -0.82 0.26 119.26 121.33 1p3f h ALA 727 Ca -0.38 -0.03 -0.22 0.00 0.00 0.00 0.00 54.91 54.28 1p3f h ALA 727 Cb 1.94 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 19.40 1p3f h ALA 727 CO 0.07 0.47 -0.94 0.00 0.00 0.00 0.00 179.25 178.85 1p3f h ARG 728 N 1.19 0.30 0.67 0.00 3.08 -1.47 0.18 114.38 118.33 1p3f h ARG 728 Ca 0.42 -0.34 -0.03 0.00 0.07 0.00 0.00 59.98 60.10 1p3f h ARG 728 Cb 0.12 0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 1p3f h ARG 728 CO -0.16 1.05 -0.47 -0.09 -1.07 0.00 0.00 179.97 179.23 1p3f h ARG 729 N 0.16 -1.04 -0.28 0.04 2.43 -0.53 -1.24 114.38 113.92 1p3f h ARG 729 Ca -0.07 0.07 0.04 0.00 -0.81 0.00 0.00 59.98 59.21 1p3f h ARG 729 Cb 1.58 0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 31.35 1p3f h ARG 729 CO 0.15 -0.70 0.19 0.82 -1.51 0.00 0.00 179.97 178.92 1p3f h ILE 730 N -1.08 0.97 0.00 1.20 2.04 -0.44 0.50 117.51 120.69 1p3f h ILE 730 Ca -0.09 -0.07 -0.02 0.00 1.00 0.00 0.00 64.86 65.68 1p3f h ILE 730 Cb 0.89 0.75 -0.00 0.00 -0.74 0.00 0.00 36.82 37.71 1p3f h ILE 730 CO 0.05 0.04 -0.08 0.03 0.00 0.00 0.00 178.15 178.19 1p3f h ARG 731 N 0.20 0.00 0.00 2.37 3.08 0.06 -3.48 114.38 116.61 1p3f h ARG 731 Ca 0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.17 1p3f h ARG 731 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.27 1p3f h ARG 731 CO -0.02 0.08 0.00 0.41 -1.07 0.00 0.00 179.97 179.37 1p3f n GLY 732 N -0.38 0.12 0.00 0.04 0.00 0.17 -4.99 105.19 100.15 1p3f n GLY 732 Ca -0.01 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.22 1p3f n GLY 732 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1p3f n GLU 733 N 0.56 0.00 0.00 1.61 1.02 -1.22 -4.91 120.64 117.70 1p3f n GLU 733 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1p3f n GLU 733 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1p3f n GLU 733 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 1p3f n ARG 734 N 0.00 0.00 -0.25 3.49 1.85 -1.26 -5.01 116.66 115.48 1p3f n ARG 734 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1p3f n ARG 734 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 1p3f n ARG 734 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62