#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 3.29 0.09 2.11 0.40 -0.45 -2.77 117.98 120.65 3gqh s PHE 693 Ca 0.00 0.16 0.01 0.00 -0.60 0.00 0.00 56.93 56.50 3gqh s PHE 693 Cb 0.00 -2.26 -0.04 0.00 0.51 0.00 0.00 43.02 41.23 3gqh s PHE 693 CO 0.00 0.03 -0.04 0.00 0.70 0.00 0.00 175.22 175.91 3gqh s ALA 694 N 1.09 0.85 0.09 5.36 0.00 -0.75 -0.80 121.76 127.60 3gqh s ALA 694 Ca 0.07 -1.33 0.02 0.00 0.00 0.00 0.00 51.96 50.71 3gqh s ALA 694 Cb -0.14 0.27 -0.04 0.00 0.00 0.00 0.00 23.12 23.21 3gqh s ALA 694 CO 0.05 -0.30 -0.06 -1.21 0.00 0.00 0.00 175.76 174.23 3gqh s GLU 695 N -3.88 0.80 0.10 0.00 2.02 -0.92 -1.55 118.70 115.27 3gqh s GLU 695 Ca 0.12 -1.30 -0.30 0.00 0.02 0.00 0.00 54.97 53.51 3gqh s GLU 695 Cb 0.06 -0.18 -0.05 0.00 0.10 0.00 0.00 34.13 34.06 3gqh s GLU 695 CO -0.05 -0.02 0.97 0.71 0.02 0.00 0.00 175.26 176.89 3gqh s TYR 696 N -3.54 3.78 0.05 1.61 1.51 -0.59 -1.47 117.35 118.70 3gqh s TYR 696 Ca 0.10 1.77 0.05 0.00 -1.01 0.00 0.00 57.07 57.99 3gqh s TYR 696 Cb 0.05 -3.08 -0.02 0.00 -0.11 0.00 0.00 41.96 38.80 3gqh s TYR 696 CO -0.05 0.13 -0.14 -0.06 -1.11 0.00 0.00 175.55 174.32 3gqh s PHE 697 N 0.13 1.22 0.07 2.71 0.40 -0.22 -4.94 117.98 117.35 3gqh s PHE 697 Ca 0.48 -0.40 -0.17 0.00 -0.60 0.00 0.00 56.93 56.24 3gqh s PHE 697 Cb -0.23 -0.70 -0.06 0.00 0.51 0.00 0.00 43.02 42.53 3gqh s PHE 697 CO 0.30 0.04 0.53 -2.00 0.70 0.00 0.00 175.22 174.79 3gqh s GLU 698 N -1.40 4.08 0.36 0.44 2.12 -1.26 -0.84 118.70 122.19 3gqh s GLU 698 Ca -0.00 0.60 -0.11 0.00 0.36 0.00 0.00 54.97 55.81 3gqh s GLU 698 Cb -0.09 -3.16 -0.07 0.00 0.26 0.00 0.00 34.13 31.07 3gqh s GLU 698 CO 0.02 0.61 0.73 -1.54 -0.54 0.00 0.00 175.26 174.54 3gqh s SER 699 N -1.25 6.61 0.15 -1.70 1.04 0.15 -0.81 113.70 117.88 3gqh s SER 699 Ca 0.30 1.14 -0.31 0.00 0.48 0.00 0.00 55.95 57.55 3gqh s SER 699 Cb -0.18 -2.32 -0.09 0.00 0.10 0.00 0.00 66.02 63.53 3gqh s SER 699 CO 0.18 -0.30 1.49 -0.22 0.98 0.00 0.00 173.24 175.37 3gqh s LEU 700 N -3.46 4.37 -2.17 2.42 0.20 0.38 -2.43 118.68 117.98 3gqh s LEU 700 Ca 0.51 2.50 0.00 0.00 0.69 0.00 0.00 54.13 57.83 3gqh s LEU 700 Cb -0.10 -3.59 0.00 0.00 -0.43 0.00 0.00 46.19 42.07 3gqh s LEU 700 CO 0.26 -0.75 0.00 0.61 -0.29 0.00 0.00 176.35 176.18 3gqh n GLY 701 N 3.63 1.70 2.52 7.98 0.00 -1.26 -2.64 105.19 117.11 3gqh n GLY 701 Ca 0.13 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.46 1.08 3.77 -0.02 0.00 -1.02 -4.96 105.19 103.58 3gqh n GLY 702 Ca -0.21 -0.03 -0.37 0.00 0.00 0.00 0.00 46.02 45.41 3gqh n GLY 702 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3gqh s GLN 703 N -4.20 3.99 0.14 1.61 -2.07 -1.08 -4.37 119.66 113.68 3gqh s GLN 703 Ca 0.00 1.68 -0.28 0.00 -1.82 0.00 0.00 55.36 54.94 3gqh s GLN 703 Cb 0.00 -2.52 -0.07 0.00 -1.09 0.00 0.00 33.01 29.33 3gqh s GLN 703 CO 0.00 -0.33 0.88 0.08 -1.32 0.00 0.00 175.29 174.60 3gqh s VAL 704 N -1.56 4.41 -0.14 3.63 1.01 -1.26 -4.74 120.40 121.74 3gqh s VAL 704 Ca 0.60 1.91 0.01 0.00 0.00 0.00 0.00 61.98 64.50 3gqh s VAL 704 Cb -0.26 -4.25 0.02 0.00 0.00 0.00 0.00 36.38 31.89 3gqh s VAL 704 CO 0.33 0.41 -0.15 -0.63 0.00 0.00 0.00 175.10 175.06 3gqh s ILE 705 N -0.54 1.62 0.73 2.22 1.01 -1.26 -5.11 121.20 119.87 3gqh s ILE 705 Ca 0.41 -0.67 -0.11 0.00 0.00 0.00 0.00 60.65 60.28 3gqh s ILE 705 Cb -0.23 -1.51 0.03 0.00 0.01 0.00 0.00 42.46 40.76 3gqh s ILE 705 CO 0.28 0.47 1.07 -1.61 0.00 0.00 0.00 174.94 175.15 3gqh s GLU 706 N 1.36 2.64 0.24 2.79 2.02 -1.26 -4.96 118.70 121.53 3gqh s GLU 706 Ca 0.03 0.96 -0.30 0.00 0.02 0.00 0.00 54.97 55.67 3gqh s GLU 706 Cb -0.13 -1.96 -0.14 0.00 0.10 0.00 0.00 34.13 32.00 3gqh s GLU 706 CO -0.09 -1.31 1.13 2.41 0.02 0.00 0.00 175.26 177.42 3gqh n THR 707 N -3.27 1.46 -0.02 3.63 -1.04 -1.26 -3.10 114.28 110.68 3gqh n THR 707 Ca 0.08 -0.37 0.00 0.00 -2.04 0.00 0.00 64.05 61.72 3gqh n THR 707 Cb 0.54 -1.04 0.00 0.00 -1.82 0.00 0.00 70.33 68.01 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 1.62 0.38 3.77 3.41 0.00 -0.46 -4.89 105.19 109.01 3gqh n GLY 708 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.13 3.86 0.18 1.61 1.51 -1.18 -0.75 117.35 120.45 3gqh s TYR 709 Ca 0.00 1.59 -0.30 0.00 -1.01 0.00 0.00 57.07 57.35 3gqh s TYR 709 Cb 0.00 -2.79 -0.08 0.00 -0.11 0.00 0.00 41.96 38.99 3gqh s TYR 709 CO 0.00 0.44 1.12 -0.51 -1.11 0.00 0.00 175.55 175.49 3gqh s LEU 710 N -0.81 4.48 0.19 -1.29 1.43 0.39 -1.64 118.68 121.43 3gqh s LEU 710 Ca 0.37 2.13 0.10 0.00 -1.03 0.00 0.00 54.13 55.69 3gqh s LEU 710 Cb -0.22 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.35 3gqh s LEU 710 CO 0.25 -0.25 -0.19 0.68 0.23 0.00 0.00 176.35 177.07 3gqh s VAL 711 N -0.24 2.01 0.42 -1.59 -7.23 -0.30 -1.08 120.40 112.38 3gqh s VAL 711 Ca 0.50 -2.04 0.03 0.00 -1.81 0.00 0.00 61.98 58.67 3gqh s VAL 711 Cb -0.30 -1.98 -0.03 0.00 0.56 0.00 0.00 36.38 34.62 3gqh s VAL 711 CO 0.36 -0.31 0.09 0.28 -0.31 0.00 0.00 175.10 175.20 3gqh s THR 712 N -2.12 0.84 -0.07 5.32 -1.32 -0.30 -1.04 115.64 116.96 3gqh s THR 712 Ca 0.19 -2.00 -0.01 0.00 -1.21 0.00 0.00 61.69 58.67 3gqh s THR 712 Cb -0.06 -2.39 -0.03 0.00 -1.51 0.00 0.00 72.50 68.51 3gqh s THR 712 CO 0.08 0.00 -0.02 -0.76 -2.21 0.00 0.00 174.62 171.72 3gqh s LEU 713 N -3.65 3.46 -0.05 9.08 1.43 -1.26 -1.88 118.68 125.82 3gqh s LEU 713 Ca 0.22 0.07 -0.01 0.00 -1.03 0.00 0.00 54.13 53.38 3gqh s LEU 713 Cb 0.03 -1.82 0.03 0.00 0.03 0.00 0.00 46.19 44.46 3gqh s LEU 713 CO 0.12 0.36 0.03 -0.70 0.23 0.00 0.00 176.35 176.39 3gqh s GLU 714 N -0.99 0.21 -1.56 1.70 2.12 0.32 -4.84 118.70 115.66 3gqh s GLU 714 Ca 0.14 0.22 -0.12 0.00 0.36 0.00 0.00 54.97 55.58 3gqh s GLU 714 Cb -0.11 -0.63 0.09 0.00 0.26 0.00 0.00 34.13 33.74 3gqh s GLU 714 CO 0.03 -0.27 0.75 1.63 -0.54 0.00 0.00 175.26 176.87 3gqh n LYS 715 N 4.94 -4.01 -0.99 4.30 5.02 -1.26 -1.44 118.16 124.72 3gqh n LYS 715 Ca -0.11 0.46 0.00 0.00 -2.02 0.00 0.00 58.31 56.64 3gqh n LYS 715 Cb 0.50 -5.08 0.00 0.00 -0.02 0.00 0.00 35.03 30.43 3gqh n LYS 715 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3gqh n GLY 716 N -1.64 0.30 3.34 0.72 0.00 -1.26 -5.00 105.19 101.65 3gqh n GLY 716 Ca -0.05 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.83 1.29 0.24 1.61 1.02 -0.52 -4.80 119.74 117.75 3gqh s LYS 717 Ca 0.00 -1.43 -0.10 0.00 0.02 0.00 0.00 55.97 54.46 3gqh s LYS 717 Cb 0.00 -1.32 -0.07 0.00 -0.52 0.00 0.00 37.83 35.92 3gqh s LYS 717 CO 0.00 0.26 0.57 0.96 -0.92 0.00 0.00 175.35 176.22 3gqh s ILE 718 N -2.13 4.92 0.20 2.17 -4.36 0.01 -0.52 121.20 121.48 3gqh s ILE 718 Ca 0.17 0.48 -0.13 0.00 -0.26 0.00 0.00 60.65 60.91 3gqh s ILE 718 Cb -0.05 -3.63 0.00 0.00 1.25 0.00 0.00 42.46 40.04 3gqh s ILE 718 CO 0.07 -0.11 0.41 0.00 0.24 0.00 0.00 174.94 175.55 3gqh s ARG 719 N -2.90 1.33 0.41 0.37 1.70 -0.79 -0.47 118.95 118.60 3gqh s ARG 719 Ca 0.48 -1.09 -0.27 0.00 -0.47 0.00 0.00 55.73 54.38 3gqh s ARG 719 Cb -0.11 0.45 -0.10 0.00 -0.57 0.00 0.00 34.95 34.62 3gqh s ARG 719 CO 0.22 -0.53 1.39 1.63 -1.08 0.00 0.00 175.30 176.92 3gqh n LYS 720 N -0.30 2.27 -2.90 3.89 5.02 -1.26 -1.14 118.16 123.74 3gqh n LYS 720 Ca -0.07 0.80 -0.35 0.00 -2.02 0.00 0.00 58.31 56.68 3gqh n LYS 720 Cb 0.62 -2.53 -0.07 0.00 -0.02 0.00 0.00 35.03 33.04 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 -1.16 3.21 0.43 7.82 0.00 -0.24 -4.64 121.76 127.18 3gqh s ALA 721 Ca 0.58 0.36 0.04 0.00 0.00 0.00 0.00 51.96 52.94 3gqh s ALA 721 Cb -0.49 -3.05 -0.05 0.00 0.00 0.00 0.00 23.12 19.52 3gqh s ALA 721 CO 0.60 0.21 0.02 -1.21 0.00 0.00 0.00 175.76 175.38 3gqh s GLU 722 N -2.51 1.99 -0.01 0.00 0.41 -1.26 -0.33 118.70 116.98 3gqh s GLU 722 Ca 0.53 -2.18 -0.38 0.00 -0.41 0.00 0.00 54.97 52.53 3gqh s GLU 722 Cb -0.14 -1.42 -0.17 0.00 -1.78 0.00 0.00 34.13 30.62 3gqh s GLU 722 CO 0.19 -0.20 1.44 1.63 -0.49 0.00 0.00 175.26 177.83 3gqh n LYS 723 N -1.02 1.11 0.00 1.61 5.02 -0.41 -1.63 118.16 122.84 3gqh n LYS 723 Ca -0.09 0.40 0.00 0.00 -2.02 0.00 0.00 58.31 56.60 3gqh n LYS 723 Cb 0.67 -2.05 0.00 0.00 -0.02 0.00 0.00 35.03 33.63 3gqh n LYS 723 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3gqh n GLY 724 N 2.93 2.78 3.82 0.72 0.00 -1.26 -5.01 105.19 109.18 3gqh n GLY 724 Ca 0.21 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.08 3.28 -0.17 1.61 2.02 -0.65 -4.97 118.70 119.74 3gqh s GLU 725 Ca 0.00 1.04 -0.29 0.00 0.02 0.00 0.00 54.97 55.74 3gqh s GLU 725 Cb 0.00 -2.03 -0.02 0.00 0.10 0.00 0.00 34.13 32.18 3gqh s GLU 725 CO 0.00 -0.83 1.31 0.15 0.02 0.00 0.00 175.26 175.91 3gqh s LYS 726 N -4.53 4.19 -0.24 1.61 1.02 -1.26 -4.89 119.74 115.64 3gqh s LYS 726 Ca 0.60 1.67 -0.22 0.00 0.02 0.00 0.00 55.97 58.04 3gqh s LYS 726 Cb -0.14 -3.80 -0.01 0.00 -0.52 0.00 0.00 37.83 33.35 3gqh s LYS 726 CO 0.44 -0.77 0.72 0.42 -0.92 0.00 0.00 175.35 175.24 3gqh s ILE 727 N 3.67 4.93 -0.16 2.17 1.01 -1.26 -4.39 121.20 127.17 3gqh s ILE 727 Ca 0.57 1.33 0.22 0.00 0.00 0.00 0.00 60.65 62.77 3gqh s ILE 727 Cb -0.22 -4.01 -0.13 0.00 0.01 0.00 0.00 42.46 38.10 3gqh s ILE 727 CO 0.17 -0.00 0.83 2.30 0.00 0.00 0.00 174.94 178.24 3gqh n ILE 728 N 5.14 0.39 -3.73 2.92 -5.35 -0.21 -5.01 119.36 113.51 3gqh n ILE 728 Ca 0.02 -0.53 0.00 0.00 -0.27 0.00 0.00 62.75 61.97 3gqh n ILE 728 Cb 0.48 -0.21 0.00 0.00 -1.74 0.00 0.00 39.64 38.17 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 1.21 -0.61 2.87 3.28 0.00 -1.24 -4.66 105.19 106.05 3gqh n GLY 729 Ca -0.02 -0.99 -0.12 0.00 0.00 0.00 0.00 46.02 44.89 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 -0.01 0.13 1.61 1.01 -0.89 -1.15 120.40 118.09 3gqh s VAL 730 Ca 0.00 0.03 -0.31 0.00 0.00 0.00 0.00 61.98 61.70 3gqh s VAL 730 Cb 0.00 -0.04 -0.10 0.00 0.00 0.00 0.00 36.38 36.24 3gqh s VAL 730 CO 0.00 0.01 1.81 -0.63 0.00 0.00 0.00 175.10 176.30 3gqh s ILE 731 N 0.15 2.51 0.01 2.22 -1.09 -0.65 -0.15 121.20 124.20 3gqh s ILE 731 Ca -0.01 0.06 0.08 0.00 -2.23 0.00 0.00 60.65 58.55 3gqh s ILE 731 Cb -0.02 -3.04 -0.02 0.00 -1.58 0.00 0.00 42.46 37.80 3gqh s ILE 731 CO -0.00 0.00 -0.24 -0.55 -1.23 0.00 0.00 174.94 172.92 3gqh s SER 732 N 2.58 2.83 0.00 3.58 0.15 -0.35 -1.36 113.70 121.12 3gqh s SER 732 Ca 0.80 -0.48 0.12 0.00 0.70 0.00 0.00 55.95 57.09 3gqh s SER 732 Cb -0.46 -0.29 0.10 0.00 -1.71 0.00 0.00 66.02 63.66 3gqh s SER 732 CO 0.36 0.26 0.89 -0.62 1.20 0.00 0.00 173.24 175.33 3gqh n GLU 733 N 2.21 0.72 -0.28 5.44 1.02 -1.26 -4.66 120.64 123.83 3gqh n GLU 733 Ca -0.16 -1.23 0.07 0.00 -0.02 0.00 0.00 57.16 55.81 3gqh n GLU 733 Cb 0.52 -1.24 0.20 0.00 -0.02 0.00 0.00 31.44 30.91 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 0.69 1.32 -1.84 2.62 -2.24 -1.26 -5.01 114.28 108.55 3gqh n THR 734 Ca 0.07 -1.19 -0.42 0.00 -2.27 0.00 0.00 64.05 60.24 3gqh n THR 734 Cb 0.31 0.32 -0.03 0.00 -2.10 0.00 0.00 70.33 68.83 3gqh n THR 734 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gqh s ALA 735 N -1.42 3.31 -1.21 6.98 0.00 -1.26 -3.61 121.76 124.54 3gqh s ALA 735 Ca 0.31 0.89 0.26 0.00 0.00 0.00 0.00 51.96 53.43 3gqh s ALA 735 Cb 0.19 -3.88 1.23 0.00 0.00 0.00 0.00 23.12 20.66 3gqh s ALA 735 CO 0.16 -1.92 1.88 0.41 0.00 0.00 0.00 175.76 176.28 3gqh n GLY 736 N 4.78 -1.29 3.54 0.00 0.00 -1.12 -4.68 105.19 106.43 3gqh n GLY 736 Ca 0.21 -0.11 -0.01 0.00 0.00 0.00 0.00 46.02 46.12 3gqh n GLY 736 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3gqh s PHE 737 N -2.79 -0.95 -0.24 1.61 -0.71 -1.25 -5.04 117.98 108.61 3gqh s PHE 737 Ca 0.19 1.70 -0.02 0.00 -1.04 0.00 0.00 56.93 57.75 3gqh s PHE 737 Cb 0.18 0.57 0.02 0.00 -1.21 0.00 0.00 43.02 42.57 3gqh s PHE 737 CO 0.44 -0.47 -0.06 0.08 -1.34 0.00 0.00 175.22 173.87 3gqh s VAL 738 N 2.42 3.00 0.40 -2.49 1.01 -1.26 -1.80 120.40 121.68 3gqh s VAL 738 Ca -0.05 -0.88 0.02 0.00 0.00 0.00 0.00 61.98 61.07 3gqh s VAL 738 Cb -0.08 -2.48 -0.01 0.00 0.00 0.00 0.00 36.38 33.82 3gqh s VAL 738 CO -0.18 0.26 0.59 -0.76 0.00 0.00 0.00 175.10 175.01 3gqh s LEU 739 N 1.37 3.81 0.00 3.92 1.43 -0.60 -4.78 118.68 123.83 3gqh s LEU 739 Ca 0.02 0.14 0.00 0.00 -1.03 0.00 0.00 54.13 53.26 3gqh s LEU 739 Cb -0.16 -3.03 0.00 0.00 0.03 0.00 0.00 46.19 43.03 3gqh s LEU 739 CO -0.04 -0.56 0.00 0.61 0.23 0.00 0.00 176.35 176.59 3gqh n GLY 740 N -1.89 0.56 0.25 -3.19 0.00 -1.26 -1.55 105.19 98.11 3gqh n GLY 740 Ca -0.00 -0.83 -0.05 0.00 0.00 0.00 0.00 46.02 45.14 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 0.62 0.00 1.61 5.08 -1.92 -3.26 114.58 116.71 3gqh h GLU 741 Ca 0.00 -0.24 0.00 0.00 -1.00 0.00 0.00 59.36 58.12 3gqh h GLU 741 Cb 0.48 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.70 3gqh h GLU 741 CO 0.00 0.81 -0.95 0.43 -1.00 0.00 0.00 179.01 178.30 3gqh n SER 742 N -4.12 0.83 -4.67 1.42 7.64 -1.26 -4.95 113.62 108.51 3gqh n SER 742 Ca -0.00 -0.79 -0.42 0.00 1.01 0.00 0.00 58.87 58.67 3gqh n SER 742 Cb 0.42 1.11 -0.03 0.00 -1.01 0.00 0.00 64.21 64.70 3gqh n SER 742 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3gqh s SER 743 N -2.82 6.53 -1.06 6.43 1.04 -1.23 -2.30 113.70 120.29 3gqh s SER 743 Ca 0.05 2.54 -0.01 0.00 0.48 0.00 0.00 55.95 59.00 3gqh s SER 743 Cb 0.13 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.70 3gqh s SER 743 CO 0.71 -0.98 0.15 0.49 0.98 0.00 0.00 173.24 174.59 3gqh n PHE 744 N 6.70 -0.86 -3.16 5.02 3.01 -1.26 -4.99 117.46 121.92 3gqh n PHE 744 Ca 0.18 0.13 -0.45 0.00 1.01 0.00 0.00 57.45 58.31 3gqh n PHE 744 Cb 0.41 -2.99 -0.04 0.00 -0.01 0.00 0.00 39.48 36.84 3gqh n PHE 744 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 3gqh s GLU 745 N -4.88 3.14 -0.08 -1.08 2.02 -0.97 -4.88 118.70 111.97 3gqh s GLU 745 Ca 0.07 -1.55 0.07 0.00 0.02 0.00 0.00 54.97 53.58 3gqh s GLU 745 Cb -0.03 -4.34 0.35 0.00 0.10 0.00 0.00 34.13 30.21 3gqh s GLU 745 CO 0.09 -1.50 1.11 0.91 0.02 0.00 0.00 175.26 175.90 3gqh n TRP 746 N 5.89 0.79 -1.24 1.61 8.01 -1.26 -3.99 117.44 127.25 3gqh n TRP 746 Ca -0.05 -0.29 0.09 0.00 -1.31 0.00 0.00 57.50 55.93 3gqh n TRP 746 Cb 0.43 -0.20 0.16 0.00 -2.01 0.00 0.00 31.31 29.69 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 0.34 1.36 -0.38 -0.99 6.02 -1.26 -4.97 117.38 117.49 3gqh n GLN 747 Ca 0.12 -2.79 0.00 0.00 -0.01 0.00 0.00 57.00 54.32 3gqh n GLN 747 Cb 0.56 -1.53 0.00 0.00 1.02 0.00 0.00 30.24 30.29 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 -1.33 2.73 0.15 1.08 0.00 -1.26 -4.99 105.19 101.58 3gqh n GLY 748 Ca 0.17 -2.07 0.04 0.00 0.00 0.00 0.00 46.02 44.15 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 -0.25 0.72 -3.88 4.61 0.00 -1.93 -3.43 119.26 115.11 3gqh h ALA 749 Ca 0.00 -0.40 -0.68 0.00 0.00 0.00 0.00 54.91 53.83 3gqh h ALA 749 Cb 0.00 -0.07 -0.21 0.00 0.00 0.00 0.00 17.79 17.51 3gqh h ALA 749 CO 0.00 0.55 -0.81 0.14 0.00 0.00 0.00 179.25 179.13 3gqh s VAL 750 N -3.02 2.79 0.29 0.00 -7.23 -1.26 -1.60 120.40 110.38 3gqh s VAL 750 Ca 0.04 -1.32 -0.28 0.00 -1.81 0.00 0.00 61.98 58.62 3gqh s VAL 750 Cb 0.07 -2.21 -0.10 0.00 0.56 0.00 0.00 36.38 34.70 3gqh s VAL 750 CO 0.73 0.24 0.95 -0.76 -0.31 0.00 0.00 175.10 175.95 3gqh s LEU 751 N -1.71 4.46 0.12 1.32 1.43 0.10 -4.68 118.68 119.73 3gqh s LEU 751 Ca 0.16 1.89 0.10 0.00 -1.03 0.00 0.00 54.13 55.25 3gqh s LEU 751 Cb -0.10 -3.85 -0.04 0.00 0.03 0.00 0.00 46.19 42.22 3gqh s LEU 751 CO 0.07 0.01 -0.25 -0.54 0.23 0.00 0.00 176.35 175.87 3gqh s LYS 752 N -1.71 1.31 1.00 1.70 1.02 -1.26 -1.75 119.74 120.05 3gqh s LYS 752 Ca 0.47 -1.30 -0.17 0.00 0.02 0.00 0.00 55.97 54.99 3gqh s LYS 752 Cb -0.22 -1.72 0.23 0.00 -0.52 0.00 0.00 37.83 35.60 3gqh s LYS 752 CO 0.27 0.40 1.29 0.27 -0.92 0.00 0.00 175.35 176.67 3gqh n ASN 753 N 0.93 -0.16 0.11 2.83 0.23 0.55 -4.87 115.26 114.89 3gqh n ASN 753 Ca -0.18 -1.44 0.10 0.00 -0.53 0.00 0.00 54.58 52.53 3gqh n ASN 753 Cb 0.53 -1.01 0.46 0.00 -2.08 0.00 0.00 39.78 37.68 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 -3.92 0.14 -0.17 -3.83 0.28 -1.26 -1.02 120.64 110.86 3gqh n GLU 754 Ca 0.16 0.47 0.12 0.00 -0.16 0.00 0.00 57.16 57.75 3gqh n GLU 754 Cb 0.57 -1.82 0.20 0.00 1.43 0.00 0.00 31.44 31.82 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 -2.10 0.45 -0.86 -1.84 3.72 -1.26 -4.96 117.46 110.62 3gqh n PHE 755 Ca 0.01 -0.23 0.00 0.00 -0.05 0.00 0.00 57.45 57.18 3gqh n PHE 755 Cb 0.15 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.69 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 1.49 0.66 3.79 1.37 0.00 -0.19 -4.99 105.19 107.32 3gqh n GLY 756 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.96 2.79 0.30 -0.02 0.00 -1.26 -4.65 107.32 102.52 3gqh s GLY 757 Ca 0.00 0.39 -0.30 0.00 0.00 0.00 0.00 44.72 44.81 3gqh s GLY 757 CO 0.00 0.83 1.58 -0.42 0.00 0.00 0.00 173.10 175.08 3gqh s ILE 758 N -1.48 2.09 -0.20 0.90 1.01 -1.26 -0.33 121.20 121.93 3gqh s ILE 758 Ca 0.45 0.08 -0.17 0.00 0.00 0.00 0.00 60.65 61.01 3gqh s ILE 758 Cb -0.19 -3.05 -0.04 0.00 0.01 0.00 0.00 42.46 39.19 3gqh s ILE 758 CO 0.24 0.01 0.45 -0.63 0.00 0.00 0.00 174.94 175.02 3gqh s ILE 759 N -0.12 5.16 -0.13 2.92 1.01 -0.72 -4.80 121.20 124.51 3gqh s ILE 759 Ca 0.62 0.82 -0.04 0.00 0.00 0.00 0.00 60.65 62.05 3gqh s ILE 759 Cb -0.47 -3.78 -0.04 0.00 0.01 0.00 0.00 42.46 38.18 3gqh s ILE 759 CO 0.49 0.22 0.03 -0.31 0.00 0.00 0.00 174.94 175.37 3gqh s TYR 760 N 1.43 3.21 0.18 3.97 1.51 -1.26 -0.48 117.35 125.92 3gqh s TYR 760 Ca 0.21 0.11 -0.13 0.00 -1.01 0.00 0.00 57.07 56.25 3gqh s TYR 760 Cb -0.15 -1.92 -0.07 0.00 -0.11 0.00 0.00 41.96 39.71 3gqh s TYR 760 CO 0.09 0.32 0.57 -1.83 -1.11 0.00 0.00 175.55 173.58 3gqh s GLU 761 N -0.31 3.94 -0.30 -0.62 -1.05 0.50 -4.88 118.70 115.98 3gqh s GLU 761 Ca 0.07 0.45 -0.20 0.00 -0.15 0.00 0.00 54.97 55.15 3gqh s GLU 761 Cb -0.12 -2.82 -0.01 0.00 -0.44 0.00 0.00 34.13 30.74 3gqh s GLU 761 CO 0.02 0.41 0.62 -1.21 0.95 0.00 0.00 175.26 176.05 3gqh s GLU 762 N -2.26 3.92 -0.08 -4.83 2.02 -1.26 -1.74 118.70 114.46 3gqh s GLU 762 Ca 0.42 0.30 0.00 0.00 0.02 0.00 0.00 54.97 55.71 3gqh s GLU 762 Cb -0.14 -3.72 -0.03 0.00 0.10 0.00 0.00 34.13 30.34 3gqh s GLU 762 CO 0.20 -0.55 -0.06 0.08 0.02 0.00 0.00 175.26 174.95 3gqh s VAL 763 N 2.57 3.81 -0.05 2.63 1.01 0.46 -4.98 120.40 125.85 3gqh s VAL 763 Ca 0.25 -0.43 0.05 0.00 0.00 0.00 0.00 61.98 61.85 3gqh s VAL 763 Cb -0.15 -2.57 -0.01 0.00 0.00 0.00 0.00 36.38 33.65 3gqh s VAL 763 CO 0.11 0.59 -0.22 0.42 0.00 0.00 0.00 175.10 176.00 3gqh s THR 764 N -0.73 1.85 0.52 3.92 -4.23 -1.26 -1.27 115.64 114.44 3gqh s THR 764 Ca 0.11 -0.95 -0.04 0.00 -1.18 0.00 0.00 61.69 59.63 3gqh s THR 764 Cb -0.11 -1.57 -0.01 0.00 1.34 0.00 0.00 72.50 72.15 3gqh s THR 764 CO 0.02 0.52 0.81 0.42 -0.54 0.00 0.00 174.62 175.84 3gqh s THR 765 N -0.07 4.24 0.35 3.99 -4.23 0.07 -4.97 115.64 115.03 3gqh s THR 765 Ca -0.04 -0.02 0.12 0.00 -1.18 0.00 0.00 61.69 60.57 3gqh s THR 765 Cb -0.13 -3.63 0.34 0.00 1.34 0.00 0.00 72.50 70.42 3gqh s THR 765 CO 0.03 -0.59 1.78 1.05 -0.54 0.00 0.00 174.62 176.35 3gqh h GLU 766 N 0.11 0.54 -0.18 3.99 4.11 -2.01 -1.59 114.58 119.55 3gqh h GLU 766 Ca -0.46 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 58.94 3gqh h GLU 766 Cb 1.23 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.36 3gqh h GLU 766 CO 0.60 0.36 0.00 -0.25 0.07 0.00 0.00 179.01 179.79 3gqh n ASP 767 N -4.71 1.27 0.00 3.06 8.00 -1.26 -4.91 116.55 118.00 3gqh n ASP 767 Ca 0.24 -1.78 0.00 0.00 0.71 0.00 0.00 54.79 53.96 3gqh n ASP 767 Cb 0.73 -0.11 0.00 0.00 -0.02 0.00 0.00 41.12 41.71 3gqh n ASP 767 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gqh n GLY 768 N 0.98 0.62 3.72 0.44 0.00 -0.60 -5.07 105.19 105.29 3gqh n GLY 768 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.38 4.64 -0.10 1.61 1.01 -1.26 -4.81 120.40 119.11 3gqh s VAL 769 Ca 0.00 2.05 -0.02 0.00 0.00 0.00 0.00 61.98 64.02 3gqh s VAL 769 Cb 0.00 -4.32 -0.03 0.00 0.00 0.00 0.00 36.38 32.03 3gqh s VAL 769 CO 0.00 0.26 -0.02 -0.54 0.00 0.00 0.00 175.10 174.81 3gqh s LYS 770 N 0.36 3.09 0.19 2.72 1.02 -1.26 -0.75 119.74 125.12 3gqh s LYS 770 Ca 0.48 -0.45 -0.10 0.00 0.02 0.00 0.00 55.97 55.92 3gqh s LYS 770 Cb -0.22 -2.79 -0.01 0.00 -0.52 0.00 0.00 37.83 34.29 3gqh s LYS 770 CO 0.29 0.60 0.35 -0.59 -0.92 0.00 0.00 175.35 175.08 3gqh s PHE 771 N -0.61 0.39 0.04 3.18 -0.12 -0.39 -5.00 117.98 115.47 3gqh s PHE 771 Ca 0.10 -0.74 0.01 0.00 -0.05 0.00 0.00 56.93 56.25 3gqh s PHE 771 Cb -0.12 0.02 -0.04 0.00 -0.63 0.00 0.00 43.02 42.26 3gqh s PHE 771 CO 0.02 -0.81 0.10 0.15 -0.05 0.00 0.00 175.22 174.63 3gqh s LYS 772 N -3.99 3.05 -0.04 1.99 1.02 -1.26 -0.40 119.74 120.11 3gqh s LYS 772 Ca 0.19 -0.55 -0.10 0.00 0.02 0.00 0.00 55.97 55.53 3gqh s LYS 772 Cb 0.02 -2.84 0.02 0.00 -0.52 0.00 0.00 37.83 34.51 3gqh s LYS 772 CO 0.03 0.61 0.23 -0.98 -0.92 0.00 0.00 175.35 174.33 3gqh s ARG 773 N -2.09 0.45 0.41 1.68 1.70 -0.71 -4.97 118.95 115.41 3gqh s ARG 773 Ca 0.27 -0.02 -0.26 0.00 -0.47 0.00 0.00 55.73 55.25 3gqh s ARG 773 Cb -0.12 0.20 -0.10 0.00 -0.57 0.00 0.00 34.95 34.36 3gqh s ARG 773 CO 0.19 -0.10 1.37 -2.30 -1.08 0.00 0.00 175.30 173.38 3gqh n PRO 774 N 2.07 2.23 -2.62 3.89 -0.02 -1.26 -0.37 135.00 138.91 3gqh n PRO 774 Ca -0.18 0.79 -0.43 0.00 -2.02 0.00 0.00 63.50 61.66 3gqh n PRO 774 Cb 0.57 -2.51 -0.02 0.00 -0.02 0.00 0.00 33.50 31.51 3gqh n PRO 774 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3gqh s LEU 775 N -1.96 3.98 0.49 2.45 0.20 0.37 -4.73 118.68 119.48 3gqh s LEU 775 Ca 0.58 1.17 -0.22 0.00 0.69 0.00 0.00 54.13 56.35 3gqh s LEU 775 Cb -0.49 -3.54 -0.07 0.00 -0.43 0.00 0.00 46.19 41.66 3gqh s LEU 775 CO 0.60 -0.84 1.20 -2.16 -0.29 0.00 0.00 176.35 174.86 3gqh s PRO 776 N 3.58 3.56 -0.45 0.98 0.04 -1.26 0.02 135.00 141.47 3gqh s PRO 776 Ca 0.46 1.86 -0.25 0.00 0.04 0.00 0.00 61.00 63.11 3gqh s PRO 776 Cb -0.14 -2.32 0.03 0.00 0.04 0.00 0.00 34.50 32.11 3gqh s PRO 776 CO 0.14 -0.74 0.90 1.21 0.04 0.00 0.00 177.00 178.55 3gqh s ASN 777 N -1.32 6.50 0.23 6.66 2.47 -0.63 -4.53 114.94 124.32 3gqh s ASN 777 Ca 0.67 0.12 0.22 0.00 0.42 0.00 0.00 52.86 54.29 3gqh s ASN 777 Cb -0.31 -2.44 0.93 0.00 -1.45 0.00 0.00 41.25 37.99 3gqh s ASN 777 CO 0.37 -1.01 1.66 -0.81 -3.72 0.00 0.00 177.10 173.59 3gqh n PRO 778 N 7.05 0.16 -0.85 0.43 -0.04 -1.26 -1.70 135.00 138.79 3gqh n PRO 778 Ca 0.06 0.42 0.01 0.00 -0.04 0.00 0.00 63.50 63.95 3gqh n PRO 778 Cb 0.48 -1.82 0.32 0.00 -0.04 0.00 0.00 33.50 32.44 3gqh n PRO 778 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3gqh n ASP 779 N -2.13 4.89 -4.60 3.54 8.00 -1.26 -4.89 116.55 120.10 3gqh n ASP 779 Ca 0.02 -2.93 -0.38 0.00 0.71 0.00 0.00 54.79 52.21 3gqh n ASP 779 Cb 0.20 -0.69 -0.11 0.00 -0.02 0.00 0.00 41.12 40.50 3gqh n ASP 779 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3gqh s PHE 780 N -2.61 3.24 -0.38 1.24 5.36 -0.69 -5.05 117.98 119.08 3gqh s PHE 780 Ca 0.48 0.18 -0.14 0.00 -0.96 0.00 0.00 56.93 56.50 3gqh s PHE 780 Cb 0.38 -2.40 0.01 0.00 -0.34 0.00 0.00 43.02 40.67 3gqh s PHE 780 CO 0.13 -0.14 0.26 -0.51 -1.46 0.00 0.00 175.22 173.50 3gqh s ASP 781 N 1.66 6.00 0.19 6.13 1.11 -1.26 -4.97 116.67 125.53 3gqh s ASP 781 Ca 0.08 -0.80 0.21 0.00 0.18 0.00 0.00 52.55 52.23 3gqh s ASP 781 Cb -0.16 -2.12 0.89 0.00 1.07 0.00 0.00 42.92 42.60 3gqh s ASP 781 CO 0.10 -0.38 1.65 -0.81 1.18 0.00 0.00 175.17 176.92 3gqh n PRO 782 N 5.11 0.15 0.23 8.23 -0.04 -1.26 -3.14 135.00 144.28 3gqh n PRO 782 Ca -0.12 0.37 0.15 0.00 -0.04 0.00 0.00 63.50 63.86 3gqh n PRO 782 Cb 0.47 -1.77 0.45 0.00 -0.04 0.00 0.00 33.50 32.61 3gqh n PRO 782 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 3gqh h ASN 783 N 0.00 0.00 0.82 3.54 -0.26 -2.05 -3.29 115.58 114.34 3gqh h ASN 783 Ca 0.00 0.00 -0.03 0.00 -0.56 0.00 0.00 56.30 55.71 3gqh h ASN 783 Cb 0.35 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.60 3gqh h ASN 783 CO 0.00 0.00 -0.13 0.11 -1.06 0.00 0.00 177.43 176.35 3gqh h LYS 784 N 0.00 0.00 -5.85 0.81 1.57 -1.99 -3.48 116.57 107.63 3gqh h LYS 784 Ca 0.00 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.53 3gqh h LYS 784 Cb 0.71 0.00 0.06 0.00 0.08 0.00 0.00 32.23 33.08 3gqh h LYS 784 CO 0.00 0.13 -0.60 0.09 -0.57 0.00 0.00 179.45 178.50 3gqh n ASN 785 N -3.34 -6.43 -4.67 0.86 3.02 -1.24 -4.92 115.26 98.54 3gqh n ASN 785 Ca -0.00 -0.60 -0.40 0.00 -0.03 0.00 0.00 54.58 53.55 3gqh n ASN 785 Cb 0.35 -4.16 0.03 0.00 -0.61 0.00 0.00 39.78 35.38 3gqh n ASN 785 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3gqh n TYR 786 N -2.85 1.71 -3.85 3.10 4.02 -1.26 -4.98 117.16 113.05 3gqh n TYR 786 Ca -0.09 0.49 -0.36 0.00 -0.01 0.00 0.00 57.90 57.93 3gqh n TYR 786 Cb 0.58 -2.30 -0.07 0.00 -0.02 0.00 0.00 39.34 37.53 3gqh n TYR 786 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 3gqh s ILE 787 N -1.29 5.35 0.36 -0.72 1.01 -1.26 -5.07 121.20 119.58 3gqh s ILE 787 Ca 0.66 0.16 -0.28 0.00 0.00 0.00 0.00 60.65 61.19 3gqh s ILE 787 Cb -0.48 -3.38 -0.11 0.00 0.01 0.00 0.00 42.46 38.50 3gqh s ILE 787 CO 0.54 0.53 1.51 -0.81 0.00 0.00 0.00 174.94 176.71 3gqh n PRO 788 N 2.76 2.69 -0.55 2.79 -0.04 -1.26 -4.88 135.00 136.51 3gqh n PRO 788 Ca -0.18 0.95 0.44 0.00 -0.04 0.00 0.00 63.50 64.67 3gqh n PRO 788 Cb 0.53 -2.69 0.73 0.00 -0.04 0.00 0.00 33.50 32.03 3gqh n PRO 788 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 3gqh h ARG 789 N 3.29 0.01 0.00 0.54 9.65 -1.94 0.11 114.38 126.04 3gqh h ARG 789 Ca -0.50 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.38 3gqh h ARG 789 Cb 1.24 -0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.82 3gqh h ARG 789 CO 0.67 0.01 0.00 0.66 2.80 0.00 0.00 179.97 184.10 3gqh h SER 790 N 0.01 0.00 -0.50 -3.80 4.64 -1.90 -2.93 113.55 109.07 3gqh h SER 790 Ca 0.90 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.22 3gqh h SER 790 Cb 3.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 65.21 3gqh h SER 790 CO -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.64 3gqh n GLN 791 N -2.67 2.55 -3.73 4.77 1.13 0.39 -4.86 117.38 114.96 3gqh n GLN 791 Ca 0.04 -2.37 -0.37 0.00 -1.94 0.00 0.00 57.00 52.35 3gqh n GLN 791 Cb 0.41 -1.50 -0.12 0.00 0.11 0.00 0.00 30.24 29.13 3gqh n GLN 791 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 3gqh s ARG 792 N -1.25 3.40 0.41 -1.09 0.52 -1.11 -4.98 118.95 114.85 3gqh s ARG 792 Ca 0.40 -0.66 0.21 0.00 -0.52 0.00 0.00 55.73 55.17 3gqh s ARG 792 Cb 0.22 -3.40 1.19 0.00 0.52 0.00 0.00 34.95 33.48 3gqh s ARG 792 CO 0.30 -0.32 1.74 0.00 0.02 0.00 0.00 175.30 177.04 3gqh h ARG 793 N 8.26 0.30 0.00 3.54 3.08 -1.89 -1.75 114.38 125.93 3gqh h ARG 793 Ca -0.35 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.68 3gqh h ARG 793 Cb 1.15 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.13 3gqh h ARG 793 CO 0.60 0.20 0.00 1.05 -1.07 0.00 0.00 179.97 180.75 3gqh h GLU 794 N 0.31 0.00 -5.53 0.04 9.09 -1.86 -3.42 114.58 113.22 3gqh h GLU 794 Ca 0.64 0.00 -0.59 0.00 0.05 0.00 0.00 59.36 59.46 3gqh h GLU 794 Cb 1.75 0.00 -0.10 0.00 -1.65 0.00 0.00 28.75 28.75 3gqh h GLU 794 CO -0.31 0.00 -0.20 -1.58 0.05 0.00 0.00 179.01 176.97 3gqh s TRP 795 N -3.32 3.43 -0.00 2.06 0.52 -0.66 -0.67 118.94 120.30 3gqh s TRP 795 Ca 0.06 0.69 0.05 0.00 0.02 0.00 0.00 56.10 56.93 3gqh s TRP 795 Cb 0.08 -2.50 -0.02 0.00 -1.15 0.00 0.00 33.47 29.88 3gqh s TRP 795 CO 0.60 0.09 -0.17 -1.01 0.02 0.00 0.00 176.95 176.48 3gqh s HIS 796 N 0.95 1.54 -0.36 -1.98 3.76 -0.02 -4.89 115.29 114.28 3gqh s HIS 796 Ca 0.21 -0.31 -0.28 0.00 -0.15 0.00 0.00 55.06 54.53 3gqh s HIS 796 Cb -0.14 -0.98 0.02 0.00 1.11 0.00 0.00 32.58 32.59 3gqh s HIS 796 CO 0.08 -0.01 1.02 0.08 -0.85 0.00 0.00 174.74 175.06 3gqh s VAL 797 N -0.49 4.51 -0.24 -0.90 1.01 -1.26 -1.06 120.40 121.97 3gqh s VAL 797 Ca 0.06 1.45 -0.04 0.00 0.00 0.00 0.00 61.98 63.46 3gqh s VAL 797 Cb -0.07 -4.40 0.00 0.00 0.00 0.00 0.00 36.38 31.91 3gqh s VAL 797 CO -0.00 -0.56 -0.02 -0.69 0.00 0.00 0.00 175.10 173.82 3gqh s VAL 798 N 3.66 3.36 -0.02 2.92 1.01 -0.54 -1.22 120.40 129.58 3gqh s VAL 798 Ca 0.43 -0.65 -0.30 0.00 0.00 0.00 0.00 61.98 61.45 3gqh s VAL 798 Cb -0.11 -2.61 -0.04 0.00 0.00 0.00 0.00 36.38 33.61 3gqh s VAL 798 CO 0.19 0.31 1.27 -0.83 0.00 0.00 0.00 175.10 176.03 3gqh s GLY 799 N 1.45 2.06 -0.05 4.51 0.00 0.79 -2.16 107.32 113.91 3gqh s GLY 799 Ca 0.04 0.74 0.12 0.00 0.00 0.00 0.00 44.72 45.62 3gqh s GLY 799 CO -0.03 2.29 0.20 1.04 0.00 0.00 0.00 173.10 176.60 3gqh n LEU 800 N 5.06 0.00 -3.70 0.66 4.77 0.02 -2.11 117.00 121.70 3gqh n LEU 800 Ca 0.11 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.98 3gqh n LEU 800 Cb 0.45 0.10 -0.11 0.00 -2.33 0.00 0.00 43.42 41.53 3gqh n LEU 800 CO 0.56 0.10 0.05 -0.22 -1.33 0.00 0.00 177.39 176.55 3gqh s LEU 801 N -4.22 0.04 0.00 2.23 2.96 -1.13 -4.42 118.68 114.14 3gqh s LEU 801 Ca -0.05 0.86 0.00 0.00 -0.22 0.00 0.00 54.13 54.72 3gqh s LEU 801 Cb 0.07 1.33 0.00 0.00 0.50 0.00 0.00 46.19 48.09 3gqh s LEU 801 CO 0.52 -0.18 0.00 0.61 -1.32 0.00 0.00 176.35 175.98 3gqh n GLY 802 N 3.97 0.34 3.63 7.98 0.00 0.28 -1.33 105.19 120.07 3gqh n GLY 802 Ca -0.21 -2.28 -0.43 0.00 0.00 0.00 0.00 46.02 43.09 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 -0.24 4.04 -0.00 1.61 -0.21 -1.26 -1.18 119.66 122.41 3gqh s GLN 803 Ca 0.00 0.98 0.02 0.00 0.02 0.00 0.00 55.36 56.38 3gqh s GLN 803 Cb 0.00 -3.74 -0.01 0.00 1.00 0.00 0.00 33.01 30.26 3gqh s GLN 803 CO 0.00 -0.88 -0.07 0.42 -2.12 0.00 0.00 175.29 172.64 3gqh s ILE 804 N 3.55 0.58 0.13 1.08 1.01 -0.45 -4.56 121.20 122.54 3gqh s ILE 804 Ca 0.43 -0.35 -0.30 0.00 0.00 0.00 0.00 60.65 60.44 3gqh s ILE 804 Cb -0.12 -0.49 -0.06 0.00 0.01 0.00 0.00 42.46 41.79 3gqh s ILE 804 CO 0.15 0.14 1.02 0.00 0.00 0.00 0.00 174.94 176.25 3gqh s ALA 805 N -0.22 3.29 -0.01 9.38 0.00 -1.26 -0.87 121.76 132.06 3gqh s ALA 805 Ca 0.02 0.66 0.03 0.00 0.00 0.00 0.00 51.96 52.67 3gqh s ALA 805 Cb -0.03 -3.31 -0.00 0.00 0.00 0.00 0.00 23.12 19.77 3gqh s ALA 805 CO -0.00 -0.10 -0.09 0.08 0.00 0.00 0.00 175.76 175.65 3gqh s VAL 806 N -0.02 0.70 0.21 0.00 1.01 0.45 -4.44 120.40 118.31 3gqh s VAL 806 Ca 0.48 -0.37 -0.30 0.00 0.00 0.00 0.00 61.98 61.79 3gqh s VAL 806 Cb -0.25 -0.60 -0.09 0.00 0.00 0.00 0.00 36.38 35.43 3gqh s VAL 806 CO 0.31 0.20 1.37 -0.13 0.00 0.00 0.00 175.10 176.85 3gqh s ARG 807 N -0.12 4.34 0.12 2.72 0.52 0.07 -1.57 118.95 125.03 3gqh s ARG 807 Ca 0.02 2.15 0.06 0.00 -0.52 0.00 0.00 55.73 57.44 3gqh s ARG 807 Cb -0.04 -3.17 -0.04 0.00 0.52 0.00 0.00 34.95 32.22 3gqh s ARG 807 CO -0.00 -0.33 -0.14 0.96 0.02 0.00 0.00 175.30 175.80 3gqh s ILE 808 N 0.18 1.34 0.20 1.52 -4.36 0.02 -0.48 121.20 119.63 3gqh s ILE 808 Ca 0.59 -1.69 0.00 0.00 -0.26 0.00 0.00 60.65 59.29 3gqh s ILE 808 Cb -0.38 -1.51 0.04 0.00 1.25 0.00 0.00 42.46 41.86 3gqh s ILE 808 CO 0.39 -0.39 0.28 -0.90 0.24 0.00 0.00 174.94 174.56 3gqh n ASP 809 N 0.59 0.43 0.01 4.36 3.85 -0.49 -0.87 116.55 124.43 3gqh n ASP 809 Ca -0.16 -1.35 0.11 0.00 -0.71 0.00 0.00 54.79 52.68 3gqh n ASP 809 Cb 0.57 -0.18 0.49 0.00 -1.35 0.00 0.00 41.12 40.65 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 -1.51 0.01 0.00 0.11 0.00 -1.26 -3.25 120.64 114.75 3gqh n GLU 810 Ca 0.05 0.11 0.12 0.00 0.00 0.00 0.00 57.16 57.44 3gqh n GLU 810 Cb 0.17 -1.52 0.21 0.00 0.00 0.00 0.00 31.44 30.30 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 -1.54 0.02 -2.53 3.84 -2.24 -1.26 -4.94 114.28 105.63 3gqh n THR 811 Ca 0.05 -0.02 -0.41 0.00 -2.27 0.00 0.00 64.05 61.40 3gqh n THR 811 Cb 0.27 0.28 -0.04 0.00 -2.10 0.00 0.00 70.33 68.75 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 -3.02 3.89 -0.01 2.28 1.01 -1.20 -4.22 120.40 119.14 3gqh s VAL 812 Ca 0.10 1.64 0.05 0.00 0.00 0.00 0.00 61.98 63.77 3gqh s VAL 812 Cb 0.17 -4.04 -0.01 0.00 0.00 0.00 0.00 36.38 32.49 3gqh s VAL 812 CO 0.72 0.28 -0.15 -0.54 0.00 0.00 0.00 175.10 175.41 3gqh s LYS 813 N -0.38 1.18 0.23 2.72 1.02 -1.26 -5.02 119.74 118.23 3gqh s LYS 813 Ca 0.49 -0.56 -0.31 0.00 0.02 0.00 0.00 55.97 55.61 3gqh s LYS 813 Cb -0.29 -1.14 -0.14 0.00 -0.52 0.00 0.00 37.83 35.74 3gqh s LYS 813 CO 0.35 0.31 1.38 0.94 -0.92 0.00 0.00 175.35 177.40 3gqh n GLN 814 N 2.62 1.93 -0.72 1.68 7.27 -1.26 -2.39 117.38 126.52 3gqh n GLN 814 Ca -0.15 0.69 0.00 0.00 0.07 0.00 0.00 57.00 57.61 3gqh n GLN 814 Cb 0.55 -2.32 0.00 0.00 2.41 0.00 0.00 30.24 30.87 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 2.12 0.96 3.86 1.69 0.00 0.46 -4.98 105.19 109.30 3gqh n GLY 815 Ca 0.12 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.87 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 -3.47 1.81 0.53 1.61 3.76 -1.00 -4.76 115.29 113.76 3gqh s HIS 816 Ca 0.00 -0.83 0.07 0.00 -0.15 0.00 0.00 55.06 54.15 3gqh s HIS 816 Cb 0.00 -1.87 0.09 0.00 1.11 0.00 0.00 32.58 31.92 3gqh s HIS 816 CO 0.00 -0.26 0.73 0.43 -0.85 0.00 0.00 174.74 174.79 3gqh n SER 817 N -1.60 1.70 -4.19 1.40 7.64 -1.17 -0.35 113.62 117.05 3gqh n SER 817 Ca -0.05 -2.27 -0.13 0.00 1.01 0.00 0.00 58.87 57.43 3gqh n SER 817 Cb 0.65 -0.41 -0.10 0.00 -1.01 0.00 0.00 64.21 63.34 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 -2.22 0.91 0.28 0.44 -4.36 0.10 -1.56 121.20 114.79 3gqh s ILE 818 Ca 0.54 -1.79 0.01 0.00 -0.26 0.00 0.00 60.65 59.15 3gqh s ILE 818 Cb -0.04 -1.52 -0.00 0.00 1.25 0.00 0.00 42.46 42.14 3gqh s ILE 818 CO 0.34 -0.68 0.03 -0.67 0.24 0.00 0.00 174.94 174.21 3gqh n ASP 819 N 0.26 2.18 -4.19 4.36 2.03 0.30 -1.15 116.55 120.35 3gqh n ASP 819 Ca -0.14 -2.32 -0.23 0.00 0.52 0.00 0.00 54.79 52.62 3gqh n ASP 819 Cb 0.59 0.37 -0.14 0.00 -0.72 0.00 0.00 41.12 41.22 3gqh n ASP 819 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3gqh s ALA 820 N -2.58 1.46 -0.14 -1.67 0.00 -1.26 -0.88 121.76 116.69 3gqh s ALA 820 Ca 0.05 -0.91 -0.02 0.00 0.00 0.00 0.00 51.96 51.08 3gqh s ALA 820 Cb 0.00 -0.28 0.04 0.00 0.00 0.00 0.00 23.12 22.89 3gqh s ALA 820 CO 0.03 0.31 -0.01 0.08 0.00 0.00 0.00 175.76 176.18 3gqh s VAL 821 N -0.76 0.67 -1.44 0.00 1.01 -0.41 -1.29 120.40 118.18 3gqh s VAL 821 Ca 0.05 -0.34 -0.05 0.00 0.00 0.00 0.00 61.98 61.63 3gqh s VAL 821 Cb -0.08 -0.94 0.03 0.00 0.00 0.00 0.00 36.38 35.38 3gqh s VAL 821 CO 0.01 0.08 0.47 0.61 0.00 0.00 0.00 175.10 176.27 3gqh n GLY 822 N 5.02 -0.51 3.01 4.51 0.00 -1.16 -1.38 105.19 114.69 3gqh n GLY 822 Ca -0.09 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.31 1.46 3.78 -0.02 0.00 0.55 -4.82 105.19 104.84 3gqh n GLY 823 Ca -0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.57 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 -3.74 5.42 0.35 1.61 1.01 -0.48 -0.46 120.40 124.12 3gqh s VAL 824 Ca 0.00 0.19 -0.28 0.00 0.00 0.00 0.00 61.98 61.88 3gqh s VAL 824 Cb 0.00 -3.43 -0.11 0.00 0.00 0.00 0.00 36.38 32.84 3gqh s VAL 824 CO 0.00 0.51 1.44 0.00 0.00 0.00 0.00 175.10 177.05 3gqh s ALA 825 N -0.17 3.57 0.21 5.51 0.00 0.37 -1.29 121.76 129.96 3gqh s ALA 825 Ca 0.11 1.47 0.06 0.00 0.00 0.00 0.00 51.96 53.60 3gqh s ALA 825 Cb -0.11 -3.57 -0.05 0.00 0.00 0.00 0.00 23.12 19.38 3gqh s ALA 825 CO 0.00 -0.92 -0.09 -0.08 0.00 0.00 0.00 175.76 174.68 3gqh s THR 826 N -0.97 1.40 0.22 0.00 -1.32 -0.06 -1.40 115.64 113.51 3gqh s THR 826 Ca 0.53 -2.11 -0.32 0.00 -1.21 0.00 0.00 61.69 58.58 3gqh s THR 826 Cb -0.44 -2.12 -0.14 0.00 -1.51 0.00 0.00 72.50 68.28 3gqh s THR 826 CO 0.58 -0.53 1.39 -0.67 -2.21 0.00 0.00 174.62 173.19 3gqh n ASP 827 N -0.37 2.58 0.00 8.08 4.64 -1.26 -0.54 116.55 129.69 3gqh n ASP 827 Ca -0.08 1.13 0.00 0.00 -1.38 0.00 0.00 54.79 54.47 3gqh n ASP 827 Cb 0.62 -1.39 0.00 0.00 -1.04 0.00 0.00 41.12 39.30 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 2.30 1.89 0.00 0.27 0.00 -0.60 -4.21 105.19 104.84 3gqh n GLY 828 Ca 0.13 -0.44 0.05 0.00 0.00 0.00 0.00 46.02 45.76 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 0.54 -4.82 1.61 8.00 -1.17 -3.03 116.55 117.68 3gqh n ASP 829 Ca 0.00 -0.77 -0.38 0.00 0.71 0.00 0.00 54.79 54.35 3gqh n ASP 829 Cb 0.00 1.00 -0.06 0.00 -0.02 0.00 0.00 41.12 42.04 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 -2.06 6.80 0.78 -2.24 0.01 -0.30 -4.72 114.94 113.21 3gqh s ASN 830 Ca 0.04 0.95 0.00 0.00 -0.71 0.00 0.00 52.86 53.15 3gqh s ASN 830 Cb 0.09 -2.26 0.00 0.00 0.41 0.00 0.00 41.25 39.49 3gqh s ASN 830 CO 0.46 0.29 0.00 0.49 -1.51 0.00 0.00 177.10 176.83 3gqh n PHE 831 N 2.01 -0.87 -3.68 2.20 0.99 -1.26 0.03 117.46 116.88 3gqh n PHE 831 Ca -0.13 0.00 -0.15 0.00 -0.00 0.00 0.00 57.45 57.16 3gqh n PHE 831 Cb 0.52 0.16 -0.15 0.00 -1.00 0.00 0.00 39.48 39.02 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 -0.24 -0.27 4.37 1.01 -1.20 -4.18 121.20 120.68 3gqh s ILE 832 Ca 0.00 0.30 -0.29 0.00 0.00 0.00 0.00 60.65 60.66 3gqh s ILE 832 Cb 0.00 -0.32 -0.01 0.00 0.01 0.00 0.00 42.46 42.14 3gqh s ILE 832 CO 0.00 0.13 1.38 -0.69 0.00 0.00 0.00 174.94 175.76 3gqh s VAL 833 N 2.07 4.03 -0.09 2.92 1.01 0.52 -1.07 120.40 129.79 3gqh s VAL 833 Ca -0.00 1.17 -0.24 0.00 0.00 0.00 0.00 61.98 62.91 3gqh s VAL 833 Cb -0.12 -4.03 -0.20 0.00 0.00 0.00 0.00 36.38 32.03 3gqh s VAL 833 CO -0.06 -0.40 0.84 1.56 0.00 0.00 0.00 175.10 177.03 3gqh h GLN 834 N 9.58 -0.05 -1.70 2.72 4.20 -0.97 0.13 115.11 129.01 3gqh h GLN 834 Ca -0.28 0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.47 3gqh h GLN 834 Cb 1.11 0.01 -0.22 0.00 0.30 0.00 0.00 27.48 28.68 3gqh h GLN 834 CO 1.02 0.61 0.42 -1.83 -0.67 0.00 0.00 178.83 178.38 3gqh s GLU 835 N -2.91 0.71 -0.41 1.46 -1.05 -1.13 -4.69 118.70 110.69 3gqh s GLU 835 Ca -0.15 0.30 -0.22 0.00 -0.15 0.00 0.00 54.97 54.74 3gqh s GLU 835 Cb -0.01 0.34 0.02 0.00 -0.44 0.00 0.00 34.13 34.04 3gqh s GLU 835 CO 0.58 -0.20 0.75 0.42 0.95 0.00 0.00 175.26 177.76 3gqh s ILE 836 N -0.83 4.73 -0.07 1.83 1.01 -1.26 -0.68 121.20 125.93 3gqh s ILE 836 Ca -0.03 0.57 0.14 0.00 0.00 0.00 0.00 60.65 61.33 3gqh s ILE 836 Cb -0.01 -4.23 -0.23 0.00 0.01 0.00 0.00 42.46 37.99 3gqh s ILE 836 CO 0.02 -0.55 0.58 0.35 0.00 0.00 0.00 174.94 175.34 3gqh n THR 837 N 5.91 1.54 -3.82 2.92 -2.24 -0.25 -4.66 114.28 113.68 3gqh n THR 837 Ca 0.02 -0.80 -0.30 0.00 -2.27 0.00 0.00 64.05 60.70 3gqh n THR 837 Cb 0.48 -0.92 -0.15 0.00 -2.10 0.00 0.00 70.33 67.64 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 -2.60 1.20 0.62 4.28 2.01 -0.68 -4.97 115.64 115.51 3gqh s THR 838 Ca -0.05 -1.47 -0.19 0.00 0.31 0.00 0.00 61.69 60.29 3gqh s THR 838 Cb 0.08 -1.82 -0.02 0.00 0.01 0.00 0.00 72.50 70.75 3gqh s THR 838 CO 0.83 -0.53 1.23 -2.65 -0.69 0.00 0.00 174.62 172.81 3gqh n PRO 839 N 4.73 1.16 -1.64 4.92 -0.02 -1.26 -0.38 135.00 142.51 3gqh n PRO 839 Ca -0.03 0.45 -0.47 0.00 -2.02 0.00 0.00 63.50 61.42 3gqh n PRO 839 Cb 0.43 -2.46 -0.04 0.00 -0.02 0.00 0.00 33.50 31.41 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 -1.74 1.91 -4.21 6.00 9.36 -1.26 -4.55 117.16 122.67 3gqh n TYR 840 Ca 0.15 0.47 -0.20 0.00 3.32 0.00 0.00 57.90 61.64 3gqh n TYR 840 Cb 0.47 -2.43 -0.12 0.00 -0.63 0.00 0.00 39.34 36.64 3gqh n TYR 840 CO 0.00 0.00 0.00 0.95 0.22 0.00 0.00 176.86 178.03 3gqh s THR 841 N 0.34 1.28 0.22 2.97 -4.23 -1.19 -4.91 115.64 110.11 3gqh s THR 841 Ca 0.76 -1.41 -0.09 0.00 -1.18 0.00 0.00 61.69 59.77 3gqh s THR 841 Cb -0.76 -1.24 0.16 0.00 1.34 0.00 0.00 72.50 72.01 3gqh s THR 841 CO 0.46 -0.21 1.86 0.11 -0.54 0.00 0.00 174.62 176.30 3gqh h LYS 842 N 4.16 0.91 -0.92 3.99 1.57 -1.95 -1.00 116.57 123.33 3gqh h LYS 842 Ca -0.42 -0.05 0.14 0.00 -1.87 0.00 0.00 60.65 58.44 3gqh h LYS 842 Cb 1.19 -0.21 -0.07 0.00 0.08 0.00 0.00 32.23 33.22 3gqh h LYS 842 CO 0.41 0.60 0.59 1.05 -0.57 0.00 0.00 179.45 181.53 3gqh h GLU 843 N 0.94 0.76 0.03 3.15 -0.00 -1.96 -3.06 114.58 114.44 3gqh h GLU 843 Ca 0.30 -0.05 -0.35 0.00 -0.00 0.00 0.00 59.36 59.26 3gqh h GLU 843 Cb 0.00 -0.17 -0.05 0.00 -0.00 0.00 0.00 28.75 28.53 3gqh h GLU 843 CO -0.11 0.50 -2.10 1.63 -0.00 0.00 0.00 179.01 178.93 3gqh n LYS 844 N -4.58 0.68 -0.74 1.06 4.76 -1.13 -4.99 118.16 113.22 3gqh n LYS 844 Ca 0.18 0.18 0.00 0.00 -2.87 0.00 0.00 58.31 55.80 3gqh n LYS 844 Cb 0.43 -1.65 0.00 0.00 -1.84 0.00 0.00 35.03 31.97 3gqh n LYS 844 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3gqh n GLY 845 N 1.85 0.68 3.74 0.72 0.00 -0.39 -5.02 105.19 106.78 3gqh n GLY 845 Ca -0.30 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.31 -0.28 0.24 1.61 1.13 -1.25 -4.90 117.35 111.60 3gqh s TYR 846 Ca 0.00 -0.11 0.01 0.00 -1.41 0.00 0.00 57.07 55.56 3gqh s TYR 846 Cb 0.00 0.67 -0.00 0.00 -1.10 0.00 0.00 41.96 41.52 3gqh s TYR 846 CO 0.00 -1.13 0.04 0.41 -2.51 0.00 0.00 175.55 172.36 3gqh n GLY 847 N -0.44 3.74 3.00 5.49 0.00 -0.05 -3.19 105.19 113.73 3gqh n GLY 847 Ca -0.07 -2.15 -0.21 0.00 0.00 0.00 0.00 46.02 43.59 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 -2.20 0.80 0.09 1.61 1.01 0.49 -0.80 120.40 121.41 3gqh s VAL 848 Ca 0.06 -0.36 0.06 0.00 0.00 0.00 0.00 61.98 61.75 3gqh s VAL 848 Cb 0.00 -0.73 -0.03 0.00 0.00 0.00 0.00 36.38 35.62 3gqh s VAL 848 CO 0.04 0.26 -0.16 0.00 0.00 0.00 0.00 175.10 175.24 3gqh s ALA 849 N 0.30 1.39 -0.12 5.51 0.00 -0.61 -1.10 121.76 127.14 3gqh s ALA 849 Ca -0.05 -1.12 -0.25 0.00 0.00 0.00 0.00 51.96 50.53 3gqh s ALA 849 Cb -0.10 -0.13 -0.02 0.00 0.00 0.00 0.00 23.12 22.87 3gqh s ALA 849 CO 0.01 0.20 0.80 0.42 0.00 0.00 0.00 175.76 177.19 3gqh s ILE 850 N -1.45 4.93 -0.05 0.00 1.01 0.14 -0.41 121.20 125.37 3gqh s ILE 850 Ca 0.02 1.61 0.06 0.00 0.00 0.00 0.00 60.65 62.35 3gqh s ILE 850 Cb -0.09 -4.12 -0.01 0.00 0.01 0.00 0.00 42.46 38.25 3gqh s ILE 850 CO 0.03 0.11 -0.24 -0.69 0.00 0.00 0.00 174.94 174.15 3gqh s VAL 851 N 1.59 1.99 -0.54 2.92 1.01 -0.05 -0.26 120.40 127.07 3gqh s VAL 851 Ca 0.39 -1.04 -0.25 0.00 0.00 0.00 0.00 61.98 61.08 3gqh s VAL 851 Cb -0.17 -1.68 0.04 0.00 0.00 0.00 0.00 36.38 34.56 3gqh s VAL 851 CO 0.16 0.56 0.98 -0.22 0.00 0.00 0.00 175.10 176.58 3gqh s LEU 852 N -0.20 3.97 -0.19 3.92 2.96 -0.23 -1.34 118.68 127.56 3gqh s LEU 852 Ca -0.02 -0.17 -0.14 0.00 -0.22 0.00 0.00 54.13 53.58 3gqh s LEU 852 Cb -0.13 -2.97 -0.04 0.00 0.50 0.00 0.00 46.19 43.55 3gqh s LEU 852 CO 0.03 -1.23 0.32 -0.69 -1.32 0.00 0.00 176.35 173.46 3gqh s VAL 853 N 4.07 5.26 0.00 1.68 1.01 -0.32 -3.27 120.40 128.84 3gqh s VAL 853 Ca 0.34 0.56 0.00 0.00 0.00 0.00 0.00 61.98 62.88 3gqh s VAL 853 Cb -0.11 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.61 3gqh s VAL 853 CO 0.22 0.32 0.00 0.29 0.00 0.00 0.00 175.10 175.93