#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gqh s PHE 693 N 0.00 3.32 0.18 2.11 0.40 -0.03 -4.48 117.98 119.48 3gqh s PHE 693 Ca 0.00 0.20 0.04 0.00 -0.60 0.00 0.00 56.93 56.57 3gqh s PHE 693 Cb 0.00 -2.21 -0.05 0.00 0.51 0.00 0.00 43.02 41.27 3gqh s PHE 693 CO 0.00 0.12 -0.05 0.00 0.70 0.00 0.00 175.22 175.99 3gqh s ALA 694 N 0.81 1.54 0.12 5.36 0.00 -1.26 -0.66 121.76 127.66 3gqh s ALA 694 Ca 0.07 -1.59 0.01 0.00 0.00 0.00 0.00 51.96 50.45 3gqh s ALA 694 Cb -0.13 0.28 -0.04 0.00 0.00 0.00 0.00 23.12 23.23 3gqh s ALA 694 CO 0.02 -0.19 -0.02 -1.21 0.00 0.00 0.00 175.76 174.37 3gqh s GLU 695 N -3.82 0.90 0.12 0.00 2.02 -0.86 -2.11 118.70 114.95 3gqh s GLU 695 Ca 0.21 -1.40 -0.28 0.00 0.02 0.00 0.00 54.97 53.53 3gqh s GLU 695 Cb 0.04 -0.07 -0.07 0.00 0.10 0.00 0.00 34.13 34.13 3gqh s GLU 695 CO 0.04 -0.11 0.86 0.71 0.02 0.00 0.00 175.26 176.77 3gqh s TYR 696 N -3.76 3.83 0.08 1.61 1.51 -0.41 -1.30 117.35 118.91 3gqh s TYR 696 Ca 0.17 1.68 0.03 0.00 -1.01 0.00 0.00 57.07 57.95 3gqh s TYR 696 Cb 0.06 -2.92 -0.03 0.00 -0.11 0.00 0.00 41.96 38.96 3gqh s TYR 696 CO -0.02 0.32 -0.10 -0.06 -1.11 0.00 0.00 175.55 174.58 3gqh s PHE 697 N -0.39 1.00 -0.09 2.71 0.40 -0.68 -4.94 117.98 115.99 3gqh s PHE 697 Ca 0.41 -0.61 -0.10 0.00 -0.60 0.00 0.00 56.93 56.03 3gqh s PHE 697 Cb -0.23 -0.56 -0.05 0.00 0.51 0.00 0.00 43.02 42.70 3gqh s PHE 697 CO 0.27 -0.02 0.23 -2.00 0.70 0.00 0.00 175.22 174.40 3gqh s GLU 698 N -2.48 3.63 0.49 0.44 2.12 -1.26 -0.48 118.70 121.15 3gqh s GLU 698 Ca 0.02 0.04 -0.20 0.00 0.36 0.00 0.00 54.97 55.19 3gqh s GLU 698 Cb -0.05 -3.21 -0.08 0.00 0.26 0.00 0.00 34.13 31.05 3gqh s GLU 698 CO 0.00 0.72 1.04 -1.54 -0.54 0.00 0.00 175.26 174.94 3gqh s SER 699 N -0.96 6.33 0.27 -1.70 1.04 0.12 -0.65 113.70 118.15 3gqh s SER 699 Ca 0.18 1.92 -0.03 0.00 0.48 0.00 0.00 55.95 58.50 3gqh s SER 699 Cb -0.13 -2.56 0.35 0.00 0.10 0.00 0.00 66.02 63.78 3gqh s SER 699 CO 0.07 -0.79 1.87 0.25 0.98 0.00 0.00 173.24 175.62 3gqh h LEU 700 N 1.52 0.94 -2.33 2.42 5.85 -1.24 -2.71 115.31 119.77 3gqh h LEU 700 Ca -0.49 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.12 3gqh h LEU 700 Cb 1.22 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 42.01 3gqh h LEU 700 CO 0.59 0.79 0.00 0.61 -0.34 0.00 0.00 178.44 180.09 3gqh n GLY 701 N -1.09 1.64 2.78 3.75 0.00 -1.26 -4.96 105.19 106.05 3gqh n GLY 701 Ca 0.07 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.55 3gqh n GLY 701 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gqh n GLY 702 N 1.01 0.62 3.96 -0.02 0.00 -1.02 -5.01 105.19 104.72 3gqh n GLY 702 Ca 0.14 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.94 3gqh n GLY 702 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gqh s GLN 703 N -0.31 2.96 -0.03 1.61 -0.21 -1.26 -3.76 119.66 118.66 3gqh s GLN 703 Ca 0.00 -0.53 -0.30 0.00 0.02 0.00 0.00 55.36 54.55 3gqh s GLN 703 Cb 0.00 -2.54 -0.03 0.00 1.00 0.00 0.00 33.01 31.44 3gqh s GLN 703 CO 0.00 -0.36 1.01 0.08 -2.12 0.00 0.00 175.29 173.90 3gqh s VAL 704 N -2.60 4.76 -0.23 1.09 1.01 -1.26 -4.75 120.40 118.41 3gqh s VAL 704 Ca 0.50 1.99 -0.11 0.00 0.00 0.00 0.00 61.98 64.36 3gqh s VAL 704 Cb -0.10 -4.28 -0.05 0.00 0.00 0.00 0.00 36.38 31.95 3gqh s VAL 704 CO 0.38 0.10 0.19 -0.63 0.00 0.00 0.00 175.10 175.14 3gqh s ILE 705 N 1.39 5.34 0.77 2.22 1.01 -1.26 -5.08 121.20 125.60 3gqh s ILE 705 Ca 0.51 0.25 -0.11 0.00 0.00 0.00 0.00 60.65 61.31 3gqh s ILE 705 Cb -0.21 -3.53 0.06 0.00 0.01 0.00 0.00 42.46 38.79 3gqh s ILE 705 CO 0.25 0.34 1.09 -1.61 0.00 0.00 0.00 174.94 175.00 3gqh s GLU 706 N 1.05 2.25 0.33 2.79 0.41 -1.26 -4.96 118.70 119.31 3gqh s GLU 706 Ca 0.09 1.12 -0.27 0.00 -0.41 0.00 0.00 54.97 55.50 3gqh s GLU 706 Cb -0.14 -1.90 -0.13 0.00 -1.78 0.00 0.00 34.13 30.19 3gqh s GLU 706 CO 0.05 -1.63 1.11 2.41 -0.49 0.00 0.00 175.26 176.70 3gqh n THR 707 N -3.51 2.06 -0.09 3.63 -1.04 -1.26 -3.17 114.28 110.90 3gqh n THR 707 Ca 0.09 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.60 3gqh n THR 707 Cb 0.53 -1.22 0.00 0.00 -1.82 0.00 0.00 70.33 67.82 3gqh n THR 707 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3gqh n GLY 708 N 1.06 0.82 3.77 3.41 0.00 -0.41 -4.88 105.19 108.95 3gqh n GLY 708 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 3gqh n GLY 708 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gqh s TYR 709 N -2.38 3.86 0.13 1.61 1.51 -1.19 -1.07 117.35 119.82 3gqh s TYR 709 Ca 0.00 1.61 -0.30 0.00 -1.01 0.00 0.00 57.07 57.36 3gqh s TYR 709 Cb 0.00 -2.80 -0.06 0.00 -0.11 0.00 0.00 41.96 38.99 3gqh s TYR 709 CO 0.00 0.44 1.04 -0.51 -1.11 0.00 0.00 175.55 175.41 3gqh s LEU 710 N -0.82 4.47 0.21 -1.29 1.43 0.25 -1.82 118.68 121.12 3gqh s LEU 710 Ca 0.37 1.93 0.09 0.00 -1.03 0.00 0.00 54.13 55.49 3gqh s LEU 710 Cb -0.23 -3.59 -0.05 0.00 0.03 0.00 0.00 46.19 42.36 3gqh s LEU 710 CO 0.26 -0.18 -0.17 0.68 0.23 0.00 0.00 176.35 177.17 3gqh s VAL 711 N 0.07 1.97 0.39 -1.59 -7.23 -0.21 -0.69 120.40 113.12 3gqh s VAL 711 Ca 0.49 -2.19 0.03 0.00 -1.81 0.00 0.00 61.98 58.51 3gqh s VAL 711 Cb -0.26 -2.06 -0.04 0.00 0.56 0.00 0.00 36.38 34.58 3gqh s VAL 711 CO 0.32 -0.46 0.09 0.28 -0.31 0.00 0.00 175.10 175.02 3gqh s THR 712 N -2.58 0.84 -0.11 5.32 -1.32 -0.21 -1.04 115.64 116.53 3gqh s THR 712 Ca 0.23 -2.00 -0.06 0.00 -1.21 0.00 0.00 61.69 58.65 3gqh s THR 712 Cb -0.03 -2.47 -0.04 0.00 -1.51 0.00 0.00 72.50 68.45 3gqh s THR 712 CO 0.09 0.00 0.11 -0.76 -2.21 0.00 0.00 174.62 171.85 3gqh s LEU 713 N -3.60 4.23 -0.04 9.08 1.43 -1.26 -1.94 118.68 126.58 3gqh s LEU 713 Ca 0.26 0.40 -0.02 0.00 -1.03 0.00 0.00 54.13 53.74 3gqh s LEU 713 Cb 0.04 -2.02 0.03 0.00 0.03 0.00 0.00 46.19 44.27 3gqh s LEU 713 CO 0.14 0.40 0.06 -0.70 0.23 0.00 0.00 176.35 176.48 3gqh s GLU 714 N -0.99 -0.07 -1.52 1.70 2.56 0.13 -4.89 118.70 115.62 3gqh s GLU 714 Ca 0.15 0.36 -0.11 0.00 0.00 0.00 0.00 54.97 55.36 3gqh s GLU 714 Cb -0.12 -0.45 0.08 0.00 2.00 0.00 0.00 34.13 35.64 3gqh s GLU 714 CO 0.04 -0.30 0.85 1.63 -0.56 0.00 0.00 175.26 176.91 3gqh n LYS 715 N 5.11 -4.73 -0.98 4.30 4.76 -1.26 -1.53 118.16 123.82 3gqh n LYS 715 Ca -0.07 0.53 0.00 0.00 -2.87 0.00 0.00 58.31 55.90 3gqh n LYS 715 Cb 0.50 -5.27 0.00 0.00 -1.84 0.00 0.00 35.03 28.42 3gqh n LYS 715 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3gqh n GLY 716 N -1.65 0.57 3.29 0.72 0.00 -1.26 -5.00 105.19 101.86 3gqh n GLY 716 Ca -0.04 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.83 3gqh n GLY 716 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gqh s LYS 717 N -0.23 1.19 0.03 1.61 1.02 -0.58 -4.75 119.74 118.02 3gqh s LYS 717 Ca 0.00 -1.55 -0.04 0.00 0.02 0.00 0.00 55.97 54.40 3gqh s LYS 717 Cb 0.00 -0.64 -0.05 0.00 -0.52 0.00 0.00 37.83 36.62 3gqh s LYS 717 CO 0.00 0.01 0.25 0.96 -0.92 0.00 0.00 175.35 175.65 3gqh s ILE 718 N -3.35 5.33 0.17 2.17 -4.36 0.18 0.17 121.20 121.51 3gqh s ILE 718 Ca 0.22 -0.03 -0.05 0.00 -0.26 0.00 0.00 60.65 60.52 3gqh s ILE 718 Cb 0.04 -3.58 -0.02 0.00 1.25 0.00 0.00 42.46 40.14 3gqh s ILE 718 CO 0.04 0.27 0.20 0.00 0.24 0.00 0.00 174.94 175.69 3gqh s ARG 719 N -2.07 1.12 0.28 0.37 1.70 -0.82 -0.78 118.95 118.76 3gqh s ARG 719 Ca 0.31 -1.34 -0.30 0.00 -0.47 0.00 0.00 55.73 53.92 3gqh s ARG 719 Cb -0.13 0.32 -0.12 0.00 -0.57 0.00 0.00 34.95 34.45 3gqh s ARG 719 CO 0.20 -0.38 1.50 1.63 -1.08 0.00 0.00 175.30 177.16 3gqh n LYS 720 N -0.20 2.41 -2.60 3.89 5.02 -1.26 -1.05 118.16 124.38 3gqh n LYS 720 Ca -0.05 0.86 -0.36 0.00 -2.02 0.00 0.00 58.31 56.74 3gqh n LYS 720 Cb 0.64 -2.57 -0.05 0.00 -0.02 0.00 0.00 35.03 33.03 3gqh n LYS 720 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3gqh s ALA 721 N -0.17 3.08 0.36 7.82 0.00 0.13 -4.60 121.76 128.39 3gqh s ALA 721 Ca 0.64 0.65 0.08 0.00 0.00 0.00 0.00 51.96 53.33 3gqh s ALA 721 Cb -0.56 -3.25 -0.06 0.00 0.00 0.00 0.00 23.12 19.26 3gqh s ALA 721 CO 0.51 -0.14 0.06 -1.21 0.00 0.00 0.00 175.76 174.98 3gqh s GLU 722 N -2.54 2.12 0.21 0.00 0.41 -1.26 -0.72 118.70 116.91 3gqh s GLU 722 Ca 0.58 -1.79 -0.32 0.00 -0.41 0.00 0.00 54.97 53.03 3gqh s GLU 722 Cb -0.20 -1.93 -0.12 0.00 -1.78 0.00 0.00 34.13 30.11 3gqh s GLU 722 CO 0.25 0.06 1.69 0.21 -0.49 0.00 0.00 175.26 176.98 3gqh s LYS 723 N -3.77 4.14 0.00 1.61 2.20 0.63 -1.58 119.74 122.97 3gqh s LYS 723 Ca 0.36 2.57 0.00 0.00 -0.36 0.00 0.00 55.97 58.55 3gqh s LYS 723 Cb 0.02 -3.08 0.00 0.00 -1.51 0.00 0.00 37.83 33.26 3gqh s LYS 723 CO 0.20 -0.72 0.00 0.41 -0.36 0.00 0.00 175.35 174.88 3gqh n GLY 724 N 3.79 1.65 3.88 5.54 0.00 -1.26 -5.00 105.19 113.79 3gqh n GLY 724 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 3gqh n GLY 724 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gqh s GLU 725 N -0.21 3.65 -0.21 1.61 2.02 -0.61 -5.00 118.70 119.95 3gqh s GLU 725 Ca 0.00 0.54 -0.29 0.00 0.02 0.00 0.00 54.97 55.24 3gqh s GLU 725 Cb 0.00 -2.24 -0.03 0.00 0.10 0.00 0.00 34.13 31.97 3gqh s GLU 725 CO 0.00 -0.32 1.56 0.15 0.02 0.00 0.00 175.26 176.67 3gqh s LYS 726 N -4.68 3.87 -0.30 1.61 1.02 -1.26 -4.91 119.74 115.09 3gqh s LYS 726 Ca 0.52 1.66 -0.23 0.00 0.02 0.00 0.00 55.97 57.95 3gqh s LYS 726 Cb -0.11 -4.00 -0.00 0.00 -0.52 0.00 0.00 37.83 33.20 3gqh s LYS 726 CO 0.44 -1.20 0.74 0.42 -0.92 0.00 0.00 175.35 174.84 3gqh s ILE 727 N 4.90 4.84 -0.32 2.17 1.01 -1.26 -4.39 121.20 128.15 3gqh s ILE 727 Ca 0.69 1.15 0.23 0.00 0.00 0.00 0.00 60.65 62.71 3gqh s ILE 727 Cb -0.25 -4.09 -0.07 0.00 0.01 0.00 0.00 42.46 38.06 3gqh s ILE 727 CO 0.28 -0.18 0.98 2.30 0.00 0.00 0.00 174.94 178.31 3gqh n ILE 728 N 5.45 0.40 -3.75 2.92 -5.35 -0.21 -5.01 119.36 113.82 3gqh n ILE 728 Ca 0.02 -0.45 0.00 0.00 -0.27 0.00 0.00 62.75 62.06 3gqh n ILE 728 Cb 0.48 -0.15 0.00 0.00 -1.74 0.00 0.00 39.64 38.23 3gqh n ILE 728 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3gqh n GLY 729 N 1.25 -1.00 2.94 3.28 0.00 -1.23 -4.65 105.19 105.78 3gqh n GLY 729 Ca 0.00 -1.06 -0.15 0.00 0.00 0.00 0.00 46.02 44.81 3gqh n GLY 729 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gqh s VAL 730 N -3.00 0.31 0.11 1.61 1.01 -0.81 -1.04 120.40 118.59 3gqh s VAL 730 Ca 0.00 -0.20 -0.31 0.00 0.00 0.00 0.00 61.98 61.47 3gqh s VAL 730 Cb 0.00 -0.27 -0.09 0.00 0.00 0.00 0.00 36.38 36.02 3gqh s VAL 730 CO 0.00 0.06 1.65 -0.63 0.00 0.00 0.00 175.10 176.18 3gqh s ILE 731 N -0.15 2.83 0.03 2.22 -1.09 -0.75 -0.08 121.20 124.20 3gqh s ILE 731 Ca 0.01 0.41 0.06 0.00 -2.23 0.00 0.00 60.65 58.90 3gqh s ILE 731 Cb -0.02 -3.27 -0.02 0.00 -1.58 0.00 0.00 42.46 37.57 3gqh s ILE 731 CO -0.00 0.01 -0.18 -0.55 -1.23 0.00 0.00 174.94 172.99 3gqh s SER 732 N 2.03 2.14 0.00 3.58 0.15 -0.55 -1.29 113.70 119.76 3gqh s SER 732 Ca 0.74 -0.46 0.11 0.00 0.70 0.00 0.00 55.95 57.04 3gqh s SER 732 Cb -0.42 -0.18 0.01 0.00 -1.71 0.00 0.00 66.02 63.72 3gqh s SER 732 CO 0.32 0.14 0.69 -0.62 1.20 0.00 0.00 173.24 174.97 3gqh n GLU 733 N 2.04 1.78 -0.12 5.44 1.02 -1.26 -4.65 120.64 124.89 3gqh n GLU 733 Ca -0.17 -0.72 0.08 0.00 -0.02 0.00 0.00 57.16 56.34 3gqh n GLU 733 Cb 0.54 -1.12 0.14 0.00 -0.02 0.00 0.00 31.44 30.98 3gqh n GLU 733 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3gqh n THR 734 N -0.09 0.44 -0.32 2.62 -2.24 -1.26 -4.64 114.28 108.80 3gqh n THR 734 Ca 0.05 -0.72 -0.04 0.00 -2.27 0.00 0.00 64.05 61.07 3gqh n THR 734 Cb 0.23 0.97 0.09 0.00 -2.10 0.00 0.00 70.33 69.53 3gqh n THR 734 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gqh h ALA 735 N 3.22 1.15 0.00 6.98 0.00 -1.83 -3.36 119.26 125.43 3gqh h ALA 735 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3gqh h ALA 735 Cb 0.77 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3gqh h ALA 735 CO 0.00 0.66 0.00 0.41 0.00 0.00 0.00 179.25 180.32 3gqh n GLY 736 N -1.08 1.69 3.82 0.00 0.00 -1.26 -4.45 105.19 103.90 3gqh n GLY 736 Ca 0.09 -0.26 -0.38 0.00 0.00 0.00 0.00 46.02 45.47 3gqh n GLY 736 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gqh s PHE 737 N 0.00 3.65 -0.01 1.61 0.08 -1.26 -5.10 117.98 116.96 3gqh s PHE 737 Ca 0.00 0.86 0.05 0.00 0.12 0.00 0.00 56.93 57.95 3gqh s PHE 737 Cb 0.00 -2.27 -0.01 0.00 -0.57 0.00 0.00 43.02 40.17 3gqh s PHE 737 CO 0.00 0.56 -0.15 0.08 -0.10 0.00 0.00 175.22 175.61 3gqh s VAL 738 N -0.70 1.17 0.09 -0.44 1.01 -1.26 -4.42 120.40 115.84 3gqh s VAL 738 Ca 0.22 -0.65 0.02 0.00 0.00 0.00 0.00 61.98 61.57 3gqh s VAL 738 Cb -0.15 -0.98 -0.04 0.00 0.00 0.00 0.00 36.38 35.21 3gqh s VAL 738 CO 0.10 0.32 0.16 -0.22 0.00 0.00 0.00 175.10 175.46 3gqh s LEU 739 N -0.38 4.07 0.00 3.92 1.98 -0.90 -4.66 118.68 122.72 3gqh s LEU 739 Ca 0.06 0.10 0.00 0.00 -2.89 0.00 0.00 54.13 51.40 3gqh s LEU 739 Cb -0.06 -2.70 0.00 0.00 0.66 0.00 0.00 46.19 44.09 3gqh s LEU 739 CO -0.00 0.15 0.00 0.61 -1.89 0.00 0.00 176.35 175.21 3gqh n GLY 740 N 0.21 1.35 0.12 7.98 0.00 -1.26 -1.29 105.19 112.30 3gqh n GLY 740 Ca -0.07 -0.20 -0.01 0.00 0.00 0.00 0.00 46.02 45.74 3gqh n GLY 740 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3gqh h GLU 741 N 0.00 0.00 0.00 1.61 5.08 -1.95 -3.32 114.58 116.00 3gqh h GLU 741 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3gqh h GLU 741 Cb 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 3gqh h GLU 741 CO 0.00 0.68 -0.23 -1.13 -1.00 0.00 0.00 179.01 177.34 3gqh n SER 742 N -3.50 1.08 -4.78 1.42 3.41 -1.26 -4.62 113.62 105.36 3gqh n SER 742 Ca -0.00 -2.35 -0.38 0.00 -0.26 0.00 0.00 58.87 55.87 3gqh n SER 742 Cb 0.73 -0.26 -0.06 0.00 -0.26 0.00 0.00 64.21 64.36 3gqh n SER 742 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3gqh s SER 743 N -1.67 7.32 -1.31 4.04 0.15 -1.25 -4.33 113.70 116.66 3gqh s SER 743 Ca 0.13 1.62 -0.04 0.00 0.70 0.00 0.00 55.95 58.36 3gqh s SER 743 Cb 0.11 -2.49 0.01 0.00 -1.71 0.00 0.00 66.02 61.94 3gqh s SER 743 CO 0.01 0.14 0.99 0.49 1.20 0.00 0.00 173.24 176.07 3gqh n PHE 744 N 1.29 -2.35 -3.65 3.44 0.99 -1.26 -5.01 117.46 110.92 3gqh n PHE 744 Ca -0.04 0.94 -0.20 0.00 -0.00 0.00 0.00 57.45 58.15 3gqh n PHE 744 Cb 0.49 -4.80 -0.17 0.00 -1.00 0.00 0.00 39.48 34.00 3gqh n PHE 744 CO 0.00 0.00 0.00 -1.83 -0.00 0.00 0.00 176.76 174.93 3gqh s GLU 745 N -5.91 -0.01 -0.76 -1.08 -1.05 -1.26 -5.06 118.70 103.58 3gqh s GLU 745 Ca 0.25 0.33 -0.03 0.00 -0.15 0.00 0.00 54.97 55.37 3gqh s GLU 745 Cb -0.11 -0.73 0.19 0.00 -0.44 0.00 0.00 34.13 33.03 3gqh s GLU 745 CO 0.76 -0.41 2.39 0.91 0.95 0.00 0.00 175.26 179.86 3gqh n TRP 746 N 5.30 2.29 -2.60 4.83 8.01 -1.26 -4.31 117.44 129.70 3gqh n TRP 746 Ca -0.04 -2.24 0.02 0.00 -1.31 0.00 0.00 57.50 53.93 3gqh n TRP 746 Cb 0.50 -1.36 0.03 0.00 -2.01 0.00 0.00 31.31 28.46 3gqh n TRP 746 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.69 177.72 3gqh n GLN 747 N 0.44 0.59 -0.57 -0.99 6.02 -1.26 -5.03 117.38 116.58 3gqh n GLN 747 Ca 0.52 -2.47 0.00 0.00 -0.01 0.00 0.00 57.00 55.04 3gqh n GLN 747 Cb 0.38 -0.52 0.00 0.00 1.02 0.00 0.00 30.24 31.12 3gqh n GLN 747 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3gqh n GLY 748 N 0.09 2.18 0.16 1.08 0.00 -1.26 -4.80 105.19 102.65 3gqh n GLY 748 Ca 0.05 -2.09 -0.06 0.00 0.00 0.00 0.00 46.02 43.92 3gqh n GLY 748 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gqh h ALA 749 N -0.11 0.80 -3.66 4.61 0.00 -1.97 -3.38 119.26 115.56 3gqh h ALA 749 Ca 0.00 -0.57 -0.67 0.00 0.00 0.00 0.00 54.91 53.67 3gqh h ALA 749 Cb 0.00 -0.08 -0.18 0.00 0.00 0.00 0.00 17.79 17.53 3gqh h ALA 749 CO 0.00 0.75 -0.79 0.08 0.00 0.00 0.00 179.25 179.29 3gqh s VAL 750 N -3.70 2.91 0.34 0.00 1.01 -1.26 -1.25 120.40 118.44 3gqh s VAL 750 Ca -0.04 -1.50 -0.27 0.00 0.00 0.00 0.00 61.98 60.17 3gqh s VAL 750 Cb 0.12 -2.34 -0.09 0.00 0.00 0.00 0.00 36.38 34.06 3gqh s VAL 750 CO 0.80 0.08 1.10 -0.76 0.00 0.00 0.00 175.10 176.33 3gqh s LEU 751 N -2.20 4.36 0.10 3.92 1.43 -0.21 -4.65 118.68 121.43 3gqh s LEU 751 Ca 0.19 2.22 0.09 0.00 -1.03 0.00 0.00 54.13 55.59 3gqh s LEU 751 Cb -0.10 -3.87 -0.04 0.00 0.03 0.00 0.00 46.19 42.20 3gqh s LEU 751 CO 0.11 -0.35 -0.20 -0.54 0.23 0.00 0.00 176.35 175.60 3gqh s LYS 752 N -1.94 1.78 0.97 1.70 1.02 -1.26 -1.81 119.74 120.20 3gqh s LYS 752 Ca 0.51 -1.17 -0.16 0.00 0.02 0.00 0.00 55.97 55.17 3gqh s LYS 752 Cb -0.29 -2.09 0.23 0.00 -0.52 0.00 0.00 37.83 35.16 3gqh s LYS 752 CO 0.36 0.49 1.23 0.27 -0.92 0.00 0.00 175.35 176.78 3gqh n ASN 753 N 0.96 -0.24 0.07 2.83 0.23 0.44 -4.87 115.26 114.68 3gqh n ASN 753 Ca -0.16 -1.41 0.08 0.00 -0.53 0.00 0.00 54.58 52.57 3gqh n ASN 753 Cb 0.53 -0.97 0.37 0.00 -2.08 0.00 0.00 39.78 37.63 3gqh n ASN 753 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 3gqh n GLU 754 N -3.84 0.09 -0.17 -3.83 0.28 -1.26 -1.72 120.64 110.19 3gqh n GLU 754 Ca 0.16 0.41 0.10 0.00 -0.16 0.00 0.00 57.16 57.67 3gqh n GLU 754 Cb 0.55 -1.70 0.19 0.00 1.43 0.00 0.00 31.44 31.91 3gqh n GLU 754 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 3gqh n PHE 755 N -1.88 0.46 -0.61 -1.84 3.72 -1.26 -4.95 117.46 111.10 3gqh n PHE 755 Ca 0.02 -0.27 0.00 0.00 -0.05 0.00 0.00 57.45 57.14 3gqh n PHE 755 Cb 0.14 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.68 3gqh n PHE 755 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3gqh n GLY 756 N 1.24 0.75 3.85 1.37 0.00 -0.70 -5.04 105.19 106.66 3gqh n GLY 756 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 3gqh n GLY 756 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gqh s GLY 757 N -1.79 2.34 0.18 -0.02 0.00 -1.26 -4.77 107.32 101.99 3gqh s GLY 757 Ca 0.00 -0.01 -0.31 0.00 0.00 0.00 0.00 44.72 44.40 3gqh s GLY 757 CO 0.00 0.19 1.45 -0.42 0.00 0.00 0.00 173.10 174.33 3gqh s ILE 758 N -1.93 2.87 -0.12 0.90 1.01 -1.26 -0.42 121.20 122.25 3gqh s ILE 758 Ca 0.52 0.66 -0.24 0.00 0.00 0.00 0.00 60.65 61.60 3gqh s ILE 758 Cb -0.11 -3.43 -0.03 0.00 0.01 0.00 0.00 42.46 38.91 3gqh s ILE 758 CO 0.18 0.07 0.74 -0.63 0.00 0.00 0.00 174.94 175.30 3gqh s ILE 759 N 0.67 4.99 -0.13 2.92 1.01 -0.75 -4.82 121.20 125.09 3gqh s ILE 759 Ca 0.64 1.47 -0.03 0.00 0.00 0.00 0.00 60.65 62.74 3gqh s ILE 759 Cb -0.41 -4.06 -0.03 0.00 0.01 0.00 0.00 42.46 37.98 3gqh s ILE 759 CO 0.35 0.16 -0.04 -0.31 0.00 0.00 0.00 174.94 175.10 3gqh s TYR 760 N 1.38 3.02 0.23 3.97 1.51 -1.26 -1.97 117.35 124.22 3gqh s TYR 760 Ca 0.37 -0.21 -0.30 0.00 -1.01 0.00 0.00 57.07 55.92 3gqh s TYR 760 Cb -0.17 -1.90 -0.09 0.00 -0.11 0.00 0.00 41.96 39.70 3gqh s TYR 760 CO 0.15 0.07 0.94 -2.00 -1.11 0.00 0.00 175.55 173.60 3gqh s GLU 761 N 0.04 4.84 -0.45 -0.62 2.12 0.30 -4.83 118.70 120.11 3gqh s GLU 761 Ca -0.00 1.48 -0.23 0.00 0.36 0.00 0.00 54.97 56.58 3gqh s GLU 761 Cb -0.13 -3.29 0.02 0.00 0.26 0.00 0.00 34.13 30.99 3gqh s GLU 761 CO 0.03 0.49 0.77 -2.00 -0.54 0.00 0.00 175.26 174.01 3gqh s GLU 762 N -1.08 3.41 -0.11 4.30 2.12 -1.26 -0.82 118.70 125.26 3gqh s GLU 762 Ca 0.41 -0.11 -0.11 0.00 0.36 0.00 0.00 54.97 55.52 3gqh s GLU 762 Cb -0.26 -3.93 -0.05 0.00 0.26 0.00 0.00 34.13 30.15 3gqh s GLU 762 CO 0.32 -1.10 0.25 0.08 -0.54 0.00 0.00 175.26 174.27 3gqh s VAL 763 N 3.24 5.32 -0.14 3.70 1.01 0.50 -4.95 120.40 129.08 3gqh s VAL 763 Ca 0.29 0.46 -0.01 0.00 0.00 0.00 0.00 61.98 62.73 3gqh s VAL 763 Cb -0.12 -3.55 -0.01 0.00 0.00 0.00 0.00 36.38 32.69 3gqh s VAL 763 CO 0.22 0.52 -0.12 -0.89 0.00 0.00 0.00 175.10 174.84 3gqh s THR 764 N -0.46 3.10 0.66 3.92 2.01 -1.26 -1.35 115.64 122.26 3gqh s THR 764 Ca 0.17 -0.64 -0.04 0.00 0.31 0.00 0.00 61.69 61.49 3gqh s THR 764 Cb -0.13 -2.32 0.05 0.00 0.01 0.00 0.00 72.50 70.11 3gqh s THR 764 CO 0.06 0.51 0.95 0.42 -0.69 0.00 0.00 174.62 175.87 3gqh s THR 765 N 0.50 2.38 0.46 -0.82 -4.23 -0.26 -4.97 115.64 108.70 3gqh s THR 765 Ca -0.08 -0.38 0.12 0.00 -1.18 0.00 0.00 61.69 60.17 3gqh s THR 765 Cb -0.16 -3.00 0.27 0.00 1.34 0.00 0.00 72.50 70.96 3gqh s THR 765 CO 0.04 0.00 2.10 -0.08 -0.54 0.00 0.00 174.62 176.14 3gqh h GLU 766 N -0.42 0.27 -0.10 3.99 4.81 -2.00 -1.99 114.58 119.14 3gqh h GLU 766 Ca -0.44 -0.02 -0.21 0.00 -0.13 0.00 0.00 59.36 58.57 3gqh h GLU 766 Cb 1.31 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.63 3gqh h GLU 766 CO 0.58 0.18 -0.79 0.22 -0.73 0.00 0.00 179.01 178.48 3gqh h ASP 767 N 0.28 0.72 0.00 1.04 3.58 -2.05 -3.47 116.42 116.51 3gqh h ASP 767 Ca 0.09 -0.48 0.00 0.00 0.42 0.00 0.00 57.03 57.05 3gqh h ASP 767 Cb 0.00 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 40.84 3gqh h ASP 767 CO -0.02 1.26 0.00 0.61 -2.88 0.00 0.00 179.24 178.21 3gqh n GLY 768 N 0.68 0.77 3.70 -0.78 0.00 -0.75 -5.11 105.19 103.70 3gqh n GLY 768 Ca -0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 3gqh n GLY 768 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gqh s VAL 769 N -1.47 3.60 -0.15 1.61 1.01 -1.26 -4.77 120.40 118.97 3gqh s VAL 769 Ca 0.00 1.06 -0.05 0.00 0.00 0.00 0.00 61.98 62.99 3gqh s VAL 769 Cb 0.00 -3.68 -0.03 0.00 0.00 0.00 0.00 36.38 32.66 3gqh s VAL 769 CO 0.00 0.03 0.01 -0.54 0.00 0.00 0.00 175.10 174.60 3gqh s LYS 770 N 1.93 3.67 0.09 2.72 1.02 -1.26 -1.10 119.74 126.81 3gqh s LYS 770 Ca 0.64 -0.42 -0.05 0.00 0.02 0.00 0.00 55.97 56.16 3gqh s LYS 770 Cb -0.33 -3.02 -0.02 0.00 -0.52 0.00 0.00 37.83 33.94 3gqh s LYS 770 CO 0.28 0.35 0.10 -0.59 -0.92 0.00 0.00 175.35 174.57 3gqh s PHE 771 N 0.11 0.44 -0.03 3.18 -0.12 -0.46 -4.99 117.98 116.12 3gqh s PHE 771 Ca 0.02 -0.89 -0.15 0.00 -0.05 0.00 0.00 56.93 55.86 3gqh s PHE 771 Cb -0.13 -0.25 -0.05 0.00 -0.63 0.00 0.00 43.02 41.96 3gqh s PHE 771 CO 0.02 -0.51 0.41 0.15 -0.05 0.00 0.00 175.22 175.24 3gqh s LYS 772 N -3.93 3.99 -0.03 1.99 1.02 -1.26 -0.37 119.74 121.15 3gqh s LYS 772 Ca 0.11 0.39 -0.01 0.00 0.02 0.00 0.00 55.97 56.48 3gqh s LYS 772 Cb 0.06 -3.26 0.03 0.00 -0.52 0.00 0.00 37.83 34.14 3gqh s LYS 772 CO -0.07 0.59 0.04 0.50 -0.92 0.00 0.00 175.35 175.49 3gqh s ARG 773 N -0.75 -0.03 0.52 1.68 3.52 0.00 -4.94 118.95 118.94 3gqh s ARG 773 Ca 0.23 0.24 -0.23 0.00 -0.13 0.00 0.00 55.73 55.85 3gqh s ARG 773 Cb -0.16 -0.35 -0.06 0.00 -1.56 0.00 0.00 34.95 32.81 3gqh s ARG 773 CO 0.12 -0.22 1.37 -1.25 -0.81 0.00 0.00 175.30 174.51 3gqh s PRO 774 N 1.44 3.31 0.03 5.12 0.04 -1.26 0.11 135.00 143.79 3gqh s PRO 774 Ca -0.04 2.27 -0.27 0.00 0.04 0.00 0.00 61.00 62.99 3gqh s PRO 774 Cb -0.13 -2.37 -0.05 0.00 0.04 0.00 0.00 34.50 31.99 3gqh s PRO 774 CO -0.03 -1.06 0.86 -0.51 0.04 0.00 0.00 177.00 176.30 3gqh s LEU 775 N -3.28 4.42 0.39 -3.56 1.43 -0.83 -4.76 118.68 112.48 3gqh s LEU 775 Ca 0.68 1.55 -0.26 0.00 -1.03 0.00 0.00 54.13 55.08 3gqh s LEU 775 Cb -0.41 -3.39 -0.09 0.00 0.03 0.00 0.00 46.19 42.34 3gqh s LEU 775 CO 0.49 -0.10 1.20 -2.16 0.23 0.00 0.00 176.35 176.02 3gqh s PRO 776 N 0.37 4.10 -0.38 1.29 0.04 -1.26 -1.04 135.00 138.12 3gqh s PRO 776 Ca 0.44 1.93 -0.20 0.00 0.04 0.00 0.00 61.00 63.20 3gqh s PRO 776 Cb -0.21 -2.76 0.01 0.00 0.04 0.00 0.00 34.50 31.58 3gqh s PRO 776 CO 0.25 -0.30 0.64 1.21 0.04 0.00 0.00 177.00 178.84 3gqh s ASN 777 N -0.99 6.40 0.43 6.66 2.47 -0.38 -4.46 114.94 125.06 3gqh s ASN 777 Ca 0.55 0.03 0.18 0.00 0.42 0.00 0.00 52.86 54.04 3gqh s ASN 777 Cb -0.33 -2.32 1.10 0.00 -1.45 0.00 0.00 41.25 38.25 3gqh s ASN 777 CO 0.42 -0.64 1.86 -0.65 -3.72 0.00 0.00 177.10 174.37 3gqh h PRO 778 N 8.56 0.37 -0.42 0.43 0.11 -1.91 -2.20 132.00 136.95 3gqh h PRO 778 Ca -0.26 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.82 3gqh h PRO 778 Cb 1.11 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.11 3gqh h PRO 778 CO 0.85 0.25 0.23 -0.44 -0.21 0.00 0.00 178.00 178.68 3gqh h ASP 779 N 0.38 0.52 -2.28 -2.05 5.19 -1.92 -3.45 116.42 112.81 3gqh h ASP 779 Ca 0.46 -0.08 -0.61 0.00 -0.62 0.00 0.00 57.03 56.18 3gqh h ASP 779 Cb 1.17 -0.13 0.07 0.00 0.18 0.00 0.00 39.33 40.62 3gqh h ASP 779 CO -0.17 0.45 0.61 0.33 -3.12 0.00 0.00 179.24 177.35 3gqh n PHE 780 N -4.72 2.00 -3.75 4.55 7.35 -0.83 -4.98 117.46 117.07 3gqh n PHE 780 Ca 0.01 0.44 -0.38 0.00 -0.76 0.00 0.00 57.45 56.76 3gqh n PHE 780 Cb 0.08 -2.45 -0.12 0.00 0.35 0.00 0.00 39.48 37.33 3gqh n PHE 780 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 3gqh s ASP 781 N 0.51 5.25 0.34 -2.13 3.68 -1.26 -4.98 116.67 118.07 3gqh s ASP 781 Ca 0.75 -0.99 0.24 0.00 2.13 0.00 0.00 52.55 54.68 3gqh s ASP 781 Cb -0.73 -1.87 1.21 0.00 -1.45 0.00 0.00 42.92 40.08 3gqh s ASP 781 CO 0.45 -0.28 1.74 -0.65 0.13 0.00 0.00 175.17 176.56 3gqh h PRO 782 N 8.23 0.00 -0.36 4.34 0.11 -1.99 -2.13 132.00 140.20 3gqh h PRO 782 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 3gqh h PRO 782 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3gqh h PRO 782 CO 0.60 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.48 3gqh n ASN 783 N -2.34 3.40 -4.87 -2.05 3.02 -1.26 -4.99 115.26 106.16 3gqh n ASN 783 Ca -0.00 -2.35 -0.33 0.00 -0.03 0.00 0.00 54.58 51.87 3gqh n ASN 783 Cb 0.11 -0.36 -0.05 0.00 -0.61 0.00 0.00 39.78 38.86 3gqh n ASN 783 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 3gqh s LYS 784 N -1.63 3.32 -0.62 3.52 2.20 -0.80 -5.07 119.74 120.65 3gqh s LYS 784 Ca 0.32 -0.40 -0.15 0.00 -0.36 0.00 0.00 55.97 55.38 3gqh s LYS 784 Cb 0.21 -3.01 0.16 0.00 -1.51 0.00 0.00 37.83 33.67 3gqh s LYS 784 CO 0.15 0.65 0.57 -0.80 -0.36 0.00 0.00 175.35 175.56 3gqh s ASN 785 N -2.01 6.32 0.41 1.43 0.01 -1.26 -5.00 114.94 114.84 3gqh s ASN 785 Ca 0.28 -2.09 -0.24 0.00 -0.71 0.00 0.00 52.86 50.09 3gqh s ASN 785 Cb -0.13 -2.19 -0.08 0.00 0.41 0.00 0.00 41.25 39.26 3gqh s ASN 785 CO 0.19 -0.75 1.11 -0.31 -1.51 0.00 0.00 177.10 175.82 3gqh s TYR 786 N 1.12 3.14 -0.21 2.20 1.51 -1.26 -5.02 117.35 118.83 3gqh s TYR 786 Ca 0.08 1.60 -0.19 0.00 -1.01 0.00 0.00 57.07 57.55 3gqh s TYR 786 Cb -0.24 -3.26 -0.03 0.00 -0.11 0.00 0.00 41.96 38.33 3gqh s TYR 786 CO -0.01 -0.99 0.57 0.42 -1.11 0.00 0.00 175.55 174.43 3gqh s ILE 787 N -1.55 5.06 0.70 2.71 1.01 -1.26 -5.07 121.20 122.80 3gqh s ILE 787 Ca 0.58 1.05 -0.11 0.00 0.00 0.00 0.00 60.65 62.17 3gqh s ILE 787 Cb -0.26 -3.89 0.01 0.00 0.01 0.00 0.00 42.46 38.33 3gqh s ILE 787 CO 0.32 0.14 1.07 -2.16 0.00 0.00 0.00 174.94 174.31 3gqh s PRO 788 N 1.83 2.92 0.50 2.79 0.04 -1.26 -4.96 135.00 136.86 3gqh s PRO 788 Ca 0.26 0.74 0.16 0.00 0.04 0.00 0.00 61.00 62.20 3gqh s PRO 788 Cb -0.16 -2.00 1.22 0.00 0.04 0.00 0.00 34.50 33.60 3gqh s PRO 788 CO 0.10 -1.06 2.12 0.00 0.04 0.00 0.00 177.00 178.20 3gqh h ARG 789 N -0.68 0.08 0.00 4.56 2.47 -1.94 -1.41 114.38 117.47 3gqh h ARG 789 Ca -0.45 -0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.27 3gqh h ARG 789 Cb 1.22 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 29.53 3gqh h ARG 789 CO 0.60 0.05 0.00 0.66 0.56 0.00 0.00 179.97 181.84 3gqh h SER 790 N 0.08 0.00 -0.31 7.04 4.64 -1.93 -2.38 113.55 120.70 3gqh h SER 790 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 3gqh h SER 790 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 3gqh h SER 790 CO -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.95 3gqh n GLN 791 N -2.65 2.25 -4.16 4.77 6.02 -0.53 -4.93 117.38 118.14 3gqh n GLN 791 Ca 0.01 -2.07 -0.35 0.00 -0.01 0.00 0.00 57.00 54.58 3gqh n GLN 791 Cb 0.22 -1.43 -0.13 0.00 1.02 0.00 0.00 30.24 29.92 3gqh n GLN 791 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3gqh s ARG 792 N -1.35 3.57 0.49 -1.09 0.52 -0.90 -4.99 118.95 115.20 3gqh s ARG 792 Ca 0.32 -0.55 0.15 0.00 -0.52 0.00 0.00 55.73 55.13 3gqh s ARG 792 Cb 0.19 -3.00 1.18 0.00 0.52 0.00 0.00 34.95 33.83 3gqh s ARG 792 CO 0.27 0.03 2.10 0.00 0.02 0.00 0.00 175.30 177.72 3gqh h ARG 793 N 7.40 0.02 0.00 3.54 3.08 -1.89 -2.04 114.38 124.49 3gqh h ARG 793 Ca -0.35 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.70 3gqh h ARG 793 Cb 1.18 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.23 3gqh h ARG 793 CO 0.61 0.07 0.00 1.05 -1.07 0.00 0.00 179.97 180.62 3gqh h GLU 794 N 0.02 0.00 -5.59 0.04 9.09 -1.86 -3.39 114.58 112.89 3gqh h GLU 794 Ca 0.00 0.00 -0.59 0.00 0.05 0.00 0.00 59.36 58.83 3gqh h GLU 794 Cb 0.09 0.00 -0.09 0.00 -1.65 0.00 0.00 28.75 27.10 3gqh h GLU 794 CO 0.01 0.00 -0.20 -1.58 0.05 0.00 0.00 179.01 177.28 3gqh s TRP 795 N -3.41 3.46 -0.02 2.06 0.52 -0.77 -0.70 118.94 120.08 3gqh s TRP 795 Ca 0.04 0.74 0.05 0.00 0.02 0.00 0.00 56.10 56.96 3gqh s TRP 795 Cb 0.08 -2.49 -0.01 0.00 -1.15 0.00 0.00 33.47 29.90 3gqh s TRP 795 CO 0.56 0.14 -0.17 -1.01 0.02 0.00 0.00 176.95 176.49 3gqh s HIS 796 N 0.75 1.58 -0.31 -1.98 3.76 0.36 -4.87 115.29 114.59 3gqh s HIS 796 Ca 0.22 -0.33 -0.29 0.00 -0.15 0.00 0.00 55.06 54.51 3gqh s HIS 796 Cb -0.14 -1.03 0.01 0.00 1.11 0.00 0.00 32.58 32.53 3gqh s HIS 796 CO 0.08 -0.05 1.09 0.08 -0.85 0.00 0.00 174.74 175.09 3gqh s VAL 797 N -0.33 4.49 -0.24 -0.90 1.01 -1.26 -1.69 120.40 121.48 3gqh s VAL 797 Ca 0.05 1.73 -0.03 0.00 0.00 0.00 0.00 61.98 63.72 3gqh s VAL 797 Cb -0.08 -4.38 0.01 0.00 0.00 0.00 0.00 36.38 31.93 3gqh s VAL 797 CO -0.00 -0.45 -0.05 -0.69 0.00 0.00 0.00 175.10 173.91 3gqh s VAL 798 N 3.67 3.15 0.05 2.92 1.01 -0.42 -1.48 120.40 129.29 3gqh s VAL 798 Ca 0.46 -0.75 -0.30 0.00 0.00 0.00 0.00 61.98 61.38 3gqh s VAL 798 Cb -0.13 -2.51 -0.05 0.00 0.00 0.00 0.00 36.38 33.69 3gqh s VAL 798 CO 0.15 0.31 1.17 -0.83 0.00 0.00 0.00 175.10 175.90 3gqh s GLY 799 N 1.41 2.47 -0.03 4.51 0.00 0.89 -2.04 107.32 114.52 3gqh s GLY 799 Ca 0.03 0.80 0.08 0.00 0.00 0.00 0.00 44.72 45.63 3gqh s GLY 799 CO -0.04 2.00 0.13 1.04 0.00 0.00 0.00 173.10 176.23 3gqh n LEU 800 N 3.97 0.00 -3.70 0.66 4.77 0.16 -1.92 117.00 120.94 3gqh n LEU 800 Ca 0.09 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.96 3gqh n LEU 800 Cb 0.47 0.06 -0.11 0.00 -2.33 0.00 0.00 43.42 41.51 3gqh n LEU 800 CO 0.55 0.06 0.06 -0.22 -1.33 0.00 0.00 177.39 176.50 3gqh s LEU 801 N -3.86 0.03 0.00 2.23 2.96 -1.14 -4.40 118.68 114.50 3gqh s LEU 801 Ca -0.03 0.87 0.00 0.00 -0.22 0.00 0.00 54.13 54.75 3gqh s LEU 801 Cb 0.04 1.35 0.00 0.00 0.50 0.00 0.00 46.19 48.09 3gqh s LEU 801 CO 0.33 -0.18 0.00 0.61 -1.32 0.00 0.00 176.35 175.79 3gqh n GLY 802 N 3.95 0.43 3.65 7.98 0.00 -0.10 -0.85 105.19 120.25 3gqh n GLY 802 Ca -0.21 -2.24 -0.42 0.00 0.00 0.00 0.00 46.02 43.15 3gqh n GLY 802 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gqh s GLN 803 N -0.46 4.22 0.00 1.61 -0.21 -1.26 -1.34 119.66 122.22 3gqh s GLN 803 Ca 0.00 1.09 0.02 0.00 0.02 0.00 0.00 55.36 56.49 3gqh s GLN 803 Cb 0.00 -3.64 -0.01 0.00 1.00 0.00 0.00 33.01 30.36 3gqh s GLN 803 CO 0.00 -0.54 -0.07 0.42 -2.12 0.00 0.00 175.29 172.98 3gqh s ILE 804 N 2.90 0.54 0.04 1.08 1.01 -0.15 -4.46 121.20 122.17 3gqh s ILE 804 Ca 0.38 -0.41 -0.30 0.00 0.00 0.00 0.00 60.65 60.32 3gqh s ILE 804 Cb -0.15 -0.48 -0.04 0.00 0.01 0.00 0.00 42.46 41.79 3gqh s ILE 804 CO 0.07 0.07 1.03 0.00 0.00 0.00 0.00 174.94 176.12 3gqh s ALA 805 N -0.34 3.24 -0.01 9.38 0.00 -1.26 -0.76 121.76 132.01 3gqh s ALA 805 Ca 0.01 0.63 0.04 0.00 0.00 0.00 0.00 51.96 52.64 3gqh s ALA 805 Cb -0.04 -3.35 -0.01 0.00 0.00 0.00 0.00 23.12 19.72 3gqh s ALA 805 CO -0.00 -0.24 -0.13 0.08 0.00 0.00 0.00 175.76 175.47 3gqh s VAL 806 N 0.79 1.00 0.21 0.00 1.01 0.36 -4.41 120.40 119.35 3gqh s VAL 806 Ca 0.53 -0.54 -0.30 0.00 0.00 0.00 0.00 61.98 61.66 3gqh s VAL 806 Cb -0.24 -0.84 -0.09 0.00 0.00 0.00 0.00 36.38 35.21 3gqh s VAL 806 CO 0.29 0.28 1.40 -0.13 0.00 0.00 0.00 175.10 176.94 3gqh s ARG 807 N -0.28 4.31 0.12 2.72 0.52 -0.23 -1.50 118.95 124.61 3gqh s ARG 807 Ca 0.05 2.19 0.06 0.00 -0.52 0.00 0.00 55.73 57.51 3gqh s ARG 807 Cb -0.05 -3.16 -0.04 0.00 0.52 0.00 0.00 34.95 32.22 3gqh s ARG 807 CO -0.00 -0.38 -0.14 0.96 0.02 0.00 0.00 175.30 175.75 3gqh s ILE 808 N 0.27 1.31 0.04 1.52 -4.36 0.06 -0.58 121.20 119.47 3gqh s ILE 808 Ca 0.60 -1.66 0.00 0.00 -0.26 0.00 0.00 60.65 59.33 3gqh s ILE 808 Cb -0.40 -1.48 0.01 0.00 1.25 0.00 0.00 42.46 41.84 3gqh s ILE 808 CO 0.39 -0.39 0.06 -0.90 0.24 0.00 0.00 174.94 174.34 3gqh n ASP 809 N 0.63 0.09 0.00 4.36 3.85 -0.05 -0.69 116.55 124.74 3gqh n ASP 809 Ca -0.16 -1.07 0.10 0.00 -0.71 0.00 0.00 54.79 52.95 3gqh n ASP 809 Cb 0.57 -0.04 0.45 0.00 -1.35 0.00 0.00 41.12 40.75 3gqh n ASP 809 CO 0.00 0.00 0.00 -1.84 -1.01 0.00 0.00 177.20 174.35 3gqh n GLU 810 N -1.10 0.02 0.02 0.11 0.00 -1.26 -3.18 120.64 115.25 3gqh n GLU 810 Ca 0.01 0.14 0.12 0.00 0.00 0.00 0.00 57.16 57.42 3gqh n GLU 810 Cb 0.04 -1.50 0.17 0.00 0.00 0.00 0.00 31.44 30.14 3gqh n GLU 810 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 3gqh n THR 811 N -1.48 0.14 -2.46 3.84 -2.24 -1.26 -4.93 114.28 105.89 3gqh n THR 811 Ca 0.05 -0.14 -0.41 0.00 -2.27 0.00 0.00 64.05 61.29 3gqh n THR 811 Cb 0.24 0.15 -0.04 0.00 -2.10 0.00 0.00 70.33 68.58 3gqh n THR 811 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3gqh s VAL 812 N -3.09 3.80 -0.02 2.28 1.01 -1.19 -4.29 120.40 118.89 3gqh s VAL 812 Ca 0.08 1.50 0.05 0.00 0.00 0.00 0.00 61.98 63.61 3gqh s VAL 812 Cb 0.16 -3.96 -0.01 0.00 0.00 0.00 0.00 36.38 32.57 3gqh s VAL 812 CO 0.73 0.23 -0.17 -0.54 0.00 0.00 0.00 175.10 175.35 3gqh s LYS 813 N -0.14 1.51 0.21 2.72 1.02 -1.26 -5.02 119.74 118.78 3gqh s LYS 813 Ca 0.52 -0.62 -0.32 0.00 0.02 0.00 0.00 55.97 55.57 3gqh s LYS 813 Cb -0.30 -1.42 -0.15 0.00 -0.52 0.00 0.00 37.83 35.45 3gqh s LYS 813 CO 0.35 0.34 1.27 0.94 -0.92 0.00 0.00 175.35 177.33 3gqh n GLN 814 N 2.79 1.57 -1.00 1.68 7.27 -1.26 -2.18 117.38 126.25 3gqh n GLN 814 Ca -0.16 0.56 0.00 0.00 0.07 0.00 0.00 57.00 57.47 3gqh n GLN 814 Cb 0.54 -2.13 0.00 0.00 2.41 0.00 0.00 30.24 31.06 3gqh n GLN 814 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3gqh n GLY 815 N 2.07 0.57 3.78 1.69 0.00 0.33 -4.98 105.19 108.65 3gqh n GLY 815 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 3gqh n GLY 815 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3gqh s HIS 816 N -2.29 2.04 0.52 1.61 3.76 -0.93 -4.83 115.29 115.18 3gqh s HIS 816 Ca 0.00 -0.81 0.03 0.00 -0.15 0.00 0.00 55.06 54.12 3gqh s HIS 816 Cb 0.00 -1.78 0.10 0.00 1.11 0.00 0.00 32.58 32.01 3gqh s HIS 816 CO 0.00 0.07 0.72 0.43 -0.85 0.00 0.00 174.74 175.11 3gqh n SER 817 N -1.35 1.26 -4.14 1.40 7.64 -1.21 -0.85 113.62 116.37 3gqh n SER 817 Ca -0.09 -2.00 -0.11 0.00 1.01 0.00 0.00 58.87 57.68 3gqh n SER 817 Cb 0.66 -0.44 -0.10 0.00 -1.01 0.00 0.00 64.21 63.31 3gqh n SER 817 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 3gqh s ILE 818 N -2.14 0.63 0.08 0.44 -4.36 0.71 -1.74 121.20 114.81 3gqh s ILE 818 Ca 0.50 -1.74 0.00 0.00 -0.26 0.00 0.00 60.65 59.16 3gqh s ILE 818 Cb -0.03 -1.43 -0.00 0.00 1.25 0.00 0.00 42.46 42.25 3gqh s ILE 818 CO 0.33 -0.77 0.01 -0.67 0.24 0.00 0.00 174.94 174.07 3gqh n ASP 819 N 0.30 1.76 -4.18 4.36 4.64 0.52 -1.09 116.55 122.87 3gqh n ASP 819 Ca -0.15 -1.39 -0.23 0.00 -1.38 0.00 0.00 54.79 51.65 3gqh n ASP 819 Cb 0.59 0.11 -0.14 0.00 -1.04 0.00 0.00 41.12 40.64 3gqh n ASP 819 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3gqh s ALA 820 N -2.17 1.43 -0.11 -1.67 0.00 -1.26 -1.18 121.76 116.80 3gqh s ALA 820 Ca 0.01 -0.86 -0.02 0.00 0.00 0.00 0.00 51.96 51.10 3gqh s ALA 820 Cb 0.00 -0.29 0.04 0.00 0.00 0.00 0.00 23.12 22.87 3gqh s ALA 820 CO 0.01 0.32 0.01 0.54 0.00 0.00 0.00 175.76 176.63 3gqh s VAL 821 N -0.67 0.45 -1.38 0.00 0.11 -0.43 -0.27 120.40 118.20 3gqh s VAL 821 Ca 0.05 -0.09 -0.06 0.00 -2.93 0.00 0.00 61.98 58.95 3gqh s VAL 821 Cb -0.08 -0.70 0.03 0.00 -1.53 0.00 0.00 36.38 34.11 3gqh s VAL 821 CO 0.01 0.13 0.45 0.61 -3.33 0.00 0.00 175.10 172.97 3gqh n GLY 822 N 5.11 -0.50 2.89 6.54 0.00 -1.14 -1.20 105.19 116.89 3gqh n GLY 822 Ca -0.08 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3gqh n GLY 822 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gqh n GLY 823 N -1.25 1.07 3.66 -0.02 0.00 0.10 -4.82 105.19 103.93 3gqh n GLY 823 Ca -0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.59 3gqh n GLY 823 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gqh s VAL 824 N -3.88 4.75 0.29 1.61 1.01 -0.34 -0.58 120.40 123.25 3gqh s VAL 824 Ca 0.00 -0.06 -0.29 0.00 0.00 0.00 0.00 61.98 61.63 3gqh s VAL 824 Cb 0.00 -3.11 -0.10 0.00 0.00 0.00 0.00 36.38 33.17 3gqh s VAL 824 CO 0.00 0.50 1.44 0.00 0.00 0.00 0.00 175.10 177.05 3gqh s ALA 825 N 0.01 3.61 0.25 5.51 0.00 0.26 -1.31 121.76 130.09 3gqh s ALA 825 Ca 0.06 1.39 0.07 0.00 0.00 0.00 0.00 51.96 53.47 3gqh s ALA 825 Cb -0.12 -3.56 -0.05 0.00 0.00 0.00 0.00 23.12 19.38 3gqh s ALA 825 CO 0.01 -0.80 -0.08 -0.08 0.00 0.00 0.00 175.76 174.80 3gqh s THR 826 N -0.41 1.66 0.18 0.00 -1.32 -0.32 -0.87 115.64 114.55 3gqh s THR 826 Ca 0.57 -2.15 -0.33 0.00 -1.21 0.00 0.00 61.69 58.56 3gqh s THR 826 Cb -0.43 -2.32 -0.14 0.00 -1.51 0.00 0.00 72.50 68.10 3gqh s THR 826 CO 0.49 -0.39 1.51 -0.67 -2.21 0.00 0.00 174.62 173.35 3gqh n ASP 827 N -0.51 2.89 0.00 8.08 4.64 -1.26 -0.36 116.55 130.03 3gqh n ASP 827 Ca -0.06 1.10 0.00 0.00 -1.38 0.00 0.00 54.79 54.45 3gqh n ASP 827 Cb 0.62 -1.41 0.00 0.00 -1.04 0.00 0.00 41.12 39.29 3gqh n ASP 827 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3gqh n GLY 828 N 2.97 2.15 0.00 0.27 0.00 -0.71 -4.19 105.19 105.67 3gqh n GLY 828 Ca 0.15 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.70 3gqh n GLY 828 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3gqh n ASP 829 N 0.00 1.18 -4.80 1.61 8.00 -1.15 -3.29 116.55 118.09 3gqh n ASP 829 Ca 0.00 -1.19 -0.38 0.00 0.71 0.00 0.00 54.79 53.93 3gqh n ASP 829 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.04 3gqh n ASP 829 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 3gqh s ASN 830 N -0.19 6.84 0.68 -2.24 0.01 -0.25 -4.74 114.94 115.04 3gqh s ASN 830 Ca 0.00 0.99 0.00 0.00 -0.71 0.00 0.00 52.86 53.14 3gqh s ASN 830 Cb 0.00 -2.28 0.00 0.00 0.41 0.00 0.00 41.25 39.38 3gqh s ASN 830 CO 0.00 0.24 0.00 0.49 -1.51 0.00 0.00 177.10 176.32 3gqh n PHE 831 N 2.21 -1.55 -4.03 2.20 0.99 -1.26 -0.21 117.46 115.80 3gqh n PHE 831 Ca -0.12 0.00 -0.20 0.00 -0.00 0.00 0.00 57.45 57.13 3gqh n PHE 831 Cb 0.52 0.20 -0.17 0.00 -1.00 0.00 0.00 39.48 39.03 3gqh n PHE 831 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.76 177.18 3gqh s ILE 832 N 0.00 0.45 -0.24 4.37 1.01 -1.19 -4.16 121.20 121.45 3gqh s ILE 832 Ca 0.00 -0.04 -0.29 0.00 0.00 0.00 0.00 60.65 60.32 3gqh s ILE 832 Cb 0.00 -0.52 -0.00 0.00 0.01 0.00 0.00 42.46 41.95 3gqh s ILE 832 CO 0.00 0.22 1.23 -0.69 0.00 0.00 0.00 174.94 175.70 3gqh s VAL 833 N 1.18 4.31 -0.13 2.92 1.01 -0.03 -1.14 120.40 128.52 3gqh s VAL 833 Ca -0.07 1.54 -0.20 0.00 0.00 0.00 0.00 61.98 63.25 3gqh s VAL 833 Cb -0.14 -4.15 -0.18 0.00 0.00 0.00 0.00 36.38 31.92 3gqh s VAL 833 CO -0.02 -0.30 0.53 1.56 0.00 0.00 0.00 175.10 176.87 3gqh h GLN 834 N 8.48 -0.00 -1.78 2.72 4.20 -0.98 0.96 115.11 128.71 3gqh h GLN 834 Ca -0.25 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.47 3gqh h GLN 834 Cb 1.09 0.00 -0.21 0.00 0.30 0.00 0.00 27.48 28.66 3gqh h GLN 834 CO 1.00 0.67 0.37 -1.83 -0.67 0.00 0.00 178.83 178.37 3gqh s GLU 835 N -2.02 0.83 -0.37 1.46 -1.05 -1.14 -4.67 118.70 111.73 3gqh s GLU 835 Ca -0.13 0.21 -0.21 0.00 -0.15 0.00 0.00 54.97 54.69 3gqh s GLU 835 Cb -0.02 0.39 0.01 0.00 -0.44 0.00 0.00 34.13 34.07 3gqh s GLU 835 CO 0.47 -0.26 0.64 0.42 0.95 0.00 0.00 175.26 177.49 3gqh s ILE 836 N -1.14 4.87 -0.14 1.83 1.01 -1.26 -0.62 121.20 125.75 3gqh s ILE 836 Ca -0.06 0.53 0.14 0.00 0.00 0.00 0.00 60.65 61.25 3gqh s ILE 836 Cb -0.00 -4.10 -0.24 0.00 0.01 0.00 0.00 42.46 38.13 3gqh s ILE 836 CO 0.06 -0.36 0.31 0.35 0.00 0.00 0.00 174.94 175.29 3gqh n THR 837 N 5.64 1.51 -3.87 2.92 -2.24 -0.23 -4.71 114.28 113.29 3gqh n THR 837 Ca -0.01 -0.81 -0.30 0.00 -2.27 0.00 0.00 64.05 60.66 3gqh n THR 837 Cb 0.48 -0.82 -0.15 0.00 -2.10 0.00 0.00 70.33 67.74 3gqh n THR 837 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3gqh s THR 838 N -2.54 1.39 0.49 4.28 2.01 -0.68 -4.98 115.64 115.62 3gqh s THR 838 Ca -0.10 -1.45 -0.23 0.00 0.31 0.00 0.00 61.69 60.22 3gqh s THR 838 Cb 0.07 -1.87 -0.07 0.00 0.01 0.00 0.00 72.50 70.63 3gqh s THR 838 CO 0.81 -0.40 1.24 -2.65 -0.69 0.00 0.00 174.62 172.93 3gqh n PRO 839 N 4.67 1.65 -1.64 4.92 -0.02 -1.26 0.15 135.00 143.47 3gqh n PRO 839 Ca -0.05 0.60 -0.45 0.00 -2.02 0.00 0.00 63.50 61.58 3gqh n PRO 839 Cb 0.43 -2.40 -0.02 0.00 -0.02 0.00 0.00 33.50 31.49 3gqh n PRO 839 CO 0.00 0.00 0.00 0.98 1.98 0.00 0.00 175.50 178.46 3gqh n TYR 840 N -0.76 1.81 -4.62 6.00 4.19 -1.26 -4.57 117.16 117.95 3gqh n TYR 840 Ca 0.09 0.57 -0.25 0.00 3.31 0.00 0.00 57.90 61.62 3gqh n TYR 840 Cb 0.43 -2.36 -0.17 0.00 0.49 0.00 0.00 39.34 37.73 3gqh n TYR 840 CO 0.00 0.00 0.00 0.99 0.91 0.00 0.00 176.86 178.76 3gqh s THR 841 N -0.60 1.20 0.38 2.97 2.01 -1.19 -4.89 115.64 115.52 3gqh s THR 841 Ca 0.63 -0.52 0.12 0.00 0.31 0.00 0.00 61.69 62.24 3gqh s THR 841 Cb -0.68 -1.09 0.34 0.00 0.01 0.00 0.00 72.50 71.09 3gqh s THR 841 CO 0.56 0.37 1.87 0.07 -0.69 0.00 0.00 174.62 176.80 3gqh h LYS 842 N 6.96 0.56 0.00 4.92 -0.00 -1.95 0.16 116.57 127.22 3gqh h LYS 842 Ca -0.30 -0.03 0.00 0.00 -0.00 0.00 0.00 60.65 60.32 3gqh h LYS 842 Cb 1.19 -0.13 0.00 0.00 -0.00 0.00 0.00 32.23 33.30 3gqh h LYS 842 CO 0.47 0.37 -0.19 0.39 -0.00 0.00 0.00 179.45 180.49 3gqh n GLU 843 N -4.54 0.02 -0.11 0.07 -0.58 -1.26 -3.14 120.64 111.09 3gqh n GLU 843 Ca 0.17 0.01 -0.13 0.00 -0.42 0.00 0.00 57.16 56.79 3gqh n GLU 843 Cb 0.54 -1.52 -0.14 0.00 -0.57 0.00 0.00 31.44 29.75 3gqh n GLU 843 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 3gqh n LYS 844 N -1.54 0.67 -0.60 3.49 4.81 -0.69 -5.01 118.16 119.29 3gqh n LYS 844 Ca 0.06 0.06 0.00 0.00 -0.87 0.00 0.00 58.31 57.56 3gqh n LYS 844 Cb 0.34 -1.52 0.00 0.00 0.02 0.00 0.00 35.03 33.87 3gqh n LYS 844 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3gqh n GLY 845 N 1.96 0.77 3.52 3.14 0.00 0.47 -5.00 105.19 110.05 3gqh n GLY 845 Ca -0.38 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.54 3gqh n GLY 845 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3gqh s TYR 846 N -2.84 -0.40 0.14 1.61 1.13 -1.23 -4.87 117.35 110.88 3gqh s TYR 846 Ca 0.00 0.18 0.00 0.00 -1.41 0.00 0.00 57.07 55.85 3gqh s TYR 846 Cb 0.00 0.58 -0.00 0.00 -1.10 0.00 0.00 41.96 41.43 3gqh s TYR 846 CO 0.00 -0.78 0.02 0.41 -2.51 0.00 0.00 175.55 172.68 3gqh n GLY 847 N -0.35 3.95 2.92 5.49 0.00 0.13 -3.14 105.19 114.18 3gqh n GLY 847 Ca -0.12 -2.15 -0.18 0.00 0.00 0.00 0.00 46.02 43.57 3gqh n GLY 847 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gqh s VAL 848 N -1.72 0.46 0.08 1.61 1.01 0.12 -0.76 120.40 121.20 3gqh s VAL 848 Ca 0.02 -0.15 0.05 0.00 0.00 0.00 0.00 61.98 61.90 3gqh s VAL 848 Cb 0.00 -0.46 -0.03 0.00 0.00 0.00 0.00 36.38 35.89 3gqh s VAL 848 CO 0.02 0.18 -0.13 0.00 0.00 0.00 0.00 175.10 175.16 3gqh s ALA 849 N 0.49 1.16 -0.13 5.51 0.00 -0.56 -1.07 121.76 127.15 3gqh s ALA 849 Ca -0.06 -1.05 -0.23 0.00 0.00 0.00 0.00 51.96 50.62 3gqh s ALA 849 Cb -0.09 -0.06 -0.03 0.00 0.00 0.00 0.00 23.12 22.94 3gqh s ALA 849 CO -0.00 0.11 0.69 0.42 0.00 0.00 0.00 175.76 176.98 3gqh s ILE 850 N -1.59 5.01 -0.04 0.00 -1.09 0.21 -0.48 121.20 123.22 3gqh s ILE 850 Ca 0.00 1.37 0.06 0.00 -2.23 0.00 0.00 60.65 59.86 3gqh s ILE 850 Cb -0.08 -4.02 -0.01 0.00 -1.58 0.00 0.00 42.46 36.77 3gqh s ILE 850 CO 0.02 0.16 -0.23 -0.69 -1.23 0.00 0.00 174.94 172.96 3gqh s VAL 851 N 1.45 1.89 -0.48 2.92 1.01 0.06 -0.27 120.40 126.98 3gqh s VAL 851 Ca 0.34 -1.00 -0.23 0.00 0.00 0.00 0.00 61.98 61.10 3gqh s VAL 851 Cb -0.17 -1.59 0.03 0.00 0.00 0.00 0.00 36.38 34.66 3gqh s VAL 851 CO 0.14 0.53 0.79 -0.22 0.00 0.00 0.00 175.10 176.34 3gqh s LEU 852 N -0.31 4.33 -0.14 3.92 2.96 -0.29 -0.98 118.68 128.17 3gqh s LEU 852 Ca 0.02 -0.30 -0.15 0.00 -0.22 0.00 0.00 54.13 53.49 3gqh s LEU 852 Cb -0.11 -2.84 -0.05 0.00 0.50 0.00 0.00 46.19 43.69 3gqh s LEU 852 CO 0.01 -0.98 0.34 -0.69 -1.32 0.00 0.00 176.35 173.71 3gqh s VAL 853 N 3.33 5.27 0.00 1.68 1.01 -0.45 -3.14 120.40 128.10 3gqh s VAL 853 Ca 0.27 0.65 0.00 0.00 0.00 0.00 0.00 61.98 62.90 3gqh s VAL 853 Cb -0.13 -3.68 0.00 0.00 0.00 0.00 0.00 36.38 32.57 3gqh s VAL 853 CO 0.20 0.39 0.00 0.29 0.00 0.00 0.00 175.10 175.98