#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xkk h LEU 703 N 0.00 0.59 -7.69 0.00 5.85 -1.96 -3.35 115.31 108.75 1xkk h LEU 703 Ca 0.00 -0.11 -0.70 0.00 0.84 0.00 0.00 57.88 57.91 1xkk h LEU 703 Cb 0.00 -0.15 -0.34 0.00 0.37 0.00 0.00 40.66 40.54 1xkk h LEU 703 CO 0.00 0.53 -0.39 -0.22 -0.34 0.00 0.00 178.44 178.02 1xkk s LEU 704 N -9.93 5.36 0.17 2.25 2.96 -1.26 -4.87 118.68 113.36 1xkk s LEU 704 Ca -0.13 -2.53 -0.31 0.00 -0.22 0.00 0.00 54.13 50.93 1xkk s LEU 704 Cb 0.11 -1.88 -0.10 0.00 0.50 0.00 0.00 46.19 44.82 1xkk s LEU 704 CO 0.75 -0.46 1.54 -0.13 -1.32 0.00 0.00 176.35 176.74 1xkk s ARG 705 N 0.41 4.23 -0.94 1.98 0.52 -1.19 -4.84 118.95 119.11 1xkk s ARG 705 Ca 0.14 2.34 -0.16 0.00 -0.52 0.00 0.00 55.73 57.53 1xkk s ARG 705 Cb -0.21 -3.16 0.18 0.00 0.52 0.00 0.00 34.95 32.28 1xkk s ARG 705 CO -0.04 -0.58 1.04 0.42 0.02 0.00 0.00 175.30 176.16 1xkk s ILE 706 N 1.03 5.19 0.36 1.52 -1.09 -1.26 -0.51 121.20 126.43 1xkk s ILE 706 Ca 0.69 -2.18 -0.27 0.00 -2.23 0.00 0.00 60.65 56.66 1xkk s ILE 706 Cb -0.43 -4.67 -0.09 0.00 -1.58 0.00 0.00 42.46 35.69 1xkk s ILE 706 CO 0.32 -1.33 1.16 -0.76 -1.23 0.00 0.00 174.94 173.11 1xkk s LEU 707 N 1.32 4.32 0.10 2.97 1.43 -0.28 -4.97 118.68 123.57 1xkk s LEU 707 Ca 0.29 2.35 -0.21 0.00 -1.03 0.00 0.00 54.13 55.53 1xkk s LEU 707 Cb -0.07 -3.88 -0.07 0.00 0.03 0.00 0.00 46.19 42.21 1xkk s LEU 707 CO -0.08 -0.50 0.64 -0.54 0.23 0.00 0.00 176.35 176.10 1xkk s LYS 708 N -2.02 4.33 0.61 1.70 1.02 -1.26 -4.53 119.74 119.60 1xkk s LYS 708 Ca 0.53 0.88 0.26 0.00 0.02 0.00 0.00 55.97 57.66 1xkk s LYS 708 Cb -0.32 -3.25 1.07 0.00 -0.52 0.00 0.00 37.83 34.81 1xkk s LYS 708 CO 0.41 0.60 1.49 1.49 -0.92 0.00 0.00 175.35 178.42 1xkk h GLU 709 N 4.53 0.00 0.00 1.68 4.81 -1.95 0.71 114.58 124.35 1xkk h GLU 709 Ca -0.48 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1xkk h GLU 709 Cb 1.21 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.59 1xkk h GLU 709 CO 0.65 0.00 -0.42 0.25 -0.73 0.00 0.00 179.01 178.76 1xkk n THR 710 N -3.32 0.01 0.15 0.32 -2.24 -1.26 -4.13 114.28 103.81 1xkk n THR 710 Ca 0.16 -0.01 0.02 0.00 -2.27 0.00 0.00 64.05 61.96 1xkk n THR 710 Cb 1.19 0.11 0.12 0.00 -2.10 0.00 0.00 70.33 69.65 1xkk n THR 710 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1xkk h GLU 711 N 0.00 0.00 -5.05 -0.78 5.08 0.18 -3.47 114.58 110.54 1xkk h GLU 711 Ca 0.00 0.00 -0.36 0.00 -1.00 0.00 0.00 59.36 58.00 1xkk h GLU 711 Cb 0.51 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.61 1xkk h GLU 711 CO 0.00 0.53 -0.67 -0.59 -1.00 0.00 0.00 179.01 177.28 1xkk s PHE 712 N -3.16 1.45 -0.08 4.33 -0.71 -1.26 0.34 117.98 118.90 1xkk s PHE 712 Ca 0.02 -0.90 -0.04 0.00 -1.04 0.00 0.00 56.93 54.98 1xkk s PHE 712 Cb 0.09 -0.82 0.04 0.00 -1.21 0.00 0.00 43.02 41.12 1xkk s PHE 712 CO 0.73 -0.03 0.18 0.15 -1.34 0.00 0.00 175.22 174.91 1xkk s LYS 713 N -3.84 0.14 -0.09 1.99 1.02 -0.67 -4.97 119.74 113.31 1xkk s LYS 713 Ca 0.25 0.40 -0.27 0.00 0.02 0.00 0.00 55.97 56.37 1xkk s LYS 713 Cb 0.05 -0.13 -0.02 0.00 -0.52 0.00 0.00 37.83 37.21 1xkk s LYS 713 CO 0.06 -0.15 0.89 0.15 -0.92 0.00 0.00 175.35 175.39 1xkk s LYS 714 N 1.07 4.43 -0.15 1.68 1.02 -1.26 -2.44 119.74 124.09 1xkk s LYS 714 Ca -0.08 1.20 -0.02 0.00 0.02 0.00 0.00 55.97 57.09 1xkk s LYS 714 Cb -0.10 -3.51 -0.08 0.00 -0.52 0.00 0.00 37.83 33.62 1xkk s LYS 714 CO -0.06 -0.18 -0.15 -0.89 -0.92 0.00 0.00 175.35 173.16 1xkk n ILE 715 N 4.28 0.82 -4.22 2.17 5.41 -0.74 -5.00 119.36 122.09 1xkk n ILE 715 Ca 0.05 -0.28 -0.13 0.00 1.00 0.00 0.00 62.75 63.39 1xkk n ILE 715 Cb 0.50 -1.22 -0.10 0.00 -0.71 0.00 0.00 39.64 38.11 1xkk n ILE 715 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 1xkk s LYS 716 N -2.28 1.11 -0.19 0.38 -0.14 -1.06 -5.02 119.74 112.55 1xkk s LYS 716 Ca -0.20 -1.55 -0.13 0.00 -1.36 0.00 0.00 55.97 52.72 1xkk s LYS 716 Cb 0.06 -0.06 -0.05 0.00 -1.68 0.00 0.00 37.83 36.10 1xkk s LYS 716 CO 0.31 -0.22 0.28 0.08 -0.76 0.00 0.00 175.35 175.04 1xkk s VAL 717 N -3.84 5.30 -0.11 3.17 1.01 -1.26 -1.58 120.40 123.08 1xkk s VAL 717 Ca 0.28 0.49 -0.05 0.00 0.00 0.00 0.00 61.98 62.70 1xkk s VAL 717 Cb 0.07 -3.62 -0.02 0.00 0.00 0.00 0.00 36.38 32.81 1xkk s VAL 717 CO 0.06 0.36 -0.10 -0.07 0.00 0.00 0.00 175.10 175.35 1xkk h LEU 718 N 7.03 0.00 -7.16 3.92 3.38 -1.40 -3.46 115.31 117.62 1xkk h LEU 718 Ca -0.39 0.00 0.33 0.00 0.09 0.00 0.00 57.88 57.91 1xkk h LEU 718 Cb 1.16 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.78 1xkk h LEU 718 CO 0.73 0.59 0.86 -0.83 0.09 0.00 0.00 178.44 179.88 1xkk s GLY 719 N -3.80 -0.42 -0.23 0.83 0.00 -1.02 -5.03 107.32 97.66 1xkk s GLY 719 Ca -0.08 0.85 -0.09 0.00 0.00 0.00 0.00 44.72 45.40 1xkk s GLY 719 CO 0.12 0.18 0.12 -1.35 0.00 0.00 0.00 173.10 172.17 1xkk s SER 720 N -2.89 5.79 0.02 1.64 1.04 -1.26 -0.96 113.70 117.09 1xkk s SER 720 Ca 0.14 0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.60 1xkk s SER 720 Cb 0.05 -2.04 0.00 0.00 0.10 0.00 0.00 66.02 64.13 1xkk s SER 720 CO -0.04 0.06 0.00 0.61 0.98 0.00 0.00 173.24 174.85 1xkk n GLY 721 N 4.28 1.75 0.04 7.32 0.00 0.76 -4.98 105.19 114.36 1xkk n GLY 721 Ca -0.16 -2.05 0.12 0.00 0.00 0.00 0.00 46.02 43.93 1xkk n GLY 721 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xkk n ALA 722 N -3.00 3.27 -0.01 4.61 0.00 -1.26 -4.12 120.51 120.00 1xkk n ALA 722 Ca 0.00 -0.34 0.04 0.00 0.00 0.00 0.00 53.44 53.14 1xkk n ALA 722 Cb 0.00 -1.07 -0.07 0.00 0.00 0.00 0.00 19.45 18.31 1xkk n ALA 722 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1xkk n PHE 723 N -1.94 0.00 0.00 0.00 3.01 -1.26 -5.02 117.46 112.26 1xkk n PHE 723 Ca 0.03 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.49 1xkk n PHE 723 Cb 0.42 -0.24 0.00 0.00 -0.01 0.00 0.00 39.48 39.65 1xkk n PHE 723 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1xkk n GLY 724 N 2.01 -0.79 3.79 1.37 0.00 -1.26 -1.48 105.19 108.83 1xkk n GLY 724 Ca -0.03 -1.09 -0.37 0.00 0.00 0.00 0.00 46.02 44.53 1xkk n GLY 724 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xkk s THR 725 N -2.00 5.24 -0.13 2.61 2.01 -0.82 -0.17 115.64 122.38 1xkk s THR 725 Ca 0.00 0.61 -0.04 0.00 0.31 0.00 0.00 61.69 62.58 1xkk s THR 725 Cb 0.00 -3.63 -0.03 0.00 0.01 0.00 0.00 72.50 68.85 1xkk s THR 725 CO 0.00 0.49 0.01 -0.69 -0.69 0.00 0.00 174.62 173.74 1xkk s VAL 726 N -0.34 4.31 0.23 3.82 1.01 -0.14 -0.96 120.40 128.33 1xkk s VAL 726 Ca 0.19 -0.22 0.12 0.00 0.00 0.00 0.00 61.98 62.06 1xkk s VAL 726 Cb -0.14 -2.87 -0.05 0.00 0.00 0.00 0.00 36.38 33.32 1xkk s VAL 726 CO 0.08 0.54 -0.21 -0.31 0.00 0.00 0.00 175.10 175.19 1xkk s TYR 727 N -0.20 2.32 -0.02 5.22 2.02 0.18 -1.04 117.35 125.82 1xkk s TYR 727 Ca 0.05 -0.34 0.02 0.00 -0.37 0.00 0.00 57.07 56.44 1xkk s TYR 727 Cb -0.12 -1.09 -0.03 0.00 -0.40 0.00 0.00 41.96 40.31 1xkk s TYR 727 CO 0.02 0.59 -0.07 -1.59 -1.57 0.00 0.00 175.55 172.93 1xkk s LYS 728 N -3.02 2.62 0.00 -0.62 -2.85 -0.62 0.47 119.74 115.72 1xkk s LYS 728 Ca 0.25 -0.66 0.00 0.00 -1.00 0.00 0.00 55.97 54.56 1xkk s LYS 728 Cb -0.07 -2.53 0.00 0.00 -2.06 0.00 0.00 37.83 33.17 1xkk s LYS 728 CO 0.12 0.62 0.00 0.41 0.10 0.00 0.00 175.35 176.61 1xkk n GLY 729 N 1.79 2.31 3.31 0.59 0.00 0.12 -1.79 105.19 111.52 1xkk n GLY 729 Ca -0.16 -0.71 -0.26 0.00 0.00 0.00 0.00 46.02 44.89 1xkk n GLY 729 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xkk s LEU 730 N 0.00 2.27 -0.18 0.99 1.43 -1.02 -0.33 118.68 121.85 1xkk s LEU 730 Ca 0.00 -0.66 0.01 0.00 -1.03 0.00 0.00 54.13 52.44 1xkk s LEU 730 Cb 0.00 -1.01 0.01 0.00 0.03 0.00 0.00 46.19 45.22 1xkk s LEU 730 CO 0.00 0.12 -0.18 0.86 0.23 0.00 0.00 176.35 177.38 1xkk s TRP 731 N -1.04 2.78 -0.69 0.29 -0.00 0.12 -1.68 118.94 118.72 1xkk s TRP 731 Ca 0.09 -1.45 -0.00 0.00 -0.00 0.00 0.00 56.10 54.73 1xkk s TRP 731 Cb -0.10 -1.92 0.17 0.00 -0.00 0.00 0.00 33.47 31.62 1xkk s TRP 731 CO 0.04 -0.71 0.50 0.42 -0.00 0.00 0.00 176.95 177.20 1xkk s ILE 732 N 1.18 3.54 0.13 5.86 1.01 0.15 0.57 121.20 133.64 1xkk s ILE 732 Ca 0.02 -3.48 -0.09 0.00 0.00 0.00 0.00 60.65 57.10 1xkk s ILE 732 Cb -0.14 -3.29 0.13 0.00 0.01 0.00 0.00 42.46 39.17 1xkk s ILE 732 CO -0.09 -0.94 0.85 -2.65 0.00 0.00 0.00 174.94 172.11 1xkk n PRO 733 N 2.87 -0.13 -0.83 2.79 -0.02 -1.26 -4.66 135.00 133.76 1xkk n PRO 733 Ca 0.13 0.84 0.00 0.00 -2.02 0.00 0.00 63.50 62.45 1xkk n PRO 733 Cb 0.36 -1.25 0.00 0.00 -0.02 0.00 0.00 33.50 32.59 1xkk n PRO 733 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 1xkk n VAL 738 N -4.81 0.00 -3.97 -1.45 3.14 -1.26 -5.08 118.33 104.90 1xkk n VAL 738 Ca 0.06 0.00 -0.35 0.00 -2.96 0.00 0.00 64.34 61.09 1xkk n VAL 738 Cb 0.22 0.00 -0.11 0.00 -1.06 0.00 0.00 33.84 32.89 1xkk n VAL 738 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 1xkk s LYS 739 N -2.74 3.88 -0.25 1.45 1.02 -1.26 -4.93 119.74 116.91 1xkk s LYS 739 Ca 0.00 -0.39 -0.02 0.00 0.02 0.00 0.00 55.97 55.58 1xkk s LYS 739 Cb 0.00 -3.23 0.02 0.00 -0.52 0.00 0.00 37.83 34.10 1xkk s LYS 739 CO 0.00 0.15 -0.05 0.42 -0.92 0.00 0.00 175.35 174.95 1xkk s ILE 740 N 0.70 3.04 0.07 2.17 1.01 0.19 -2.35 121.20 126.03 1xkk s ILE 740 Ca 0.03 -0.91 -0.30 0.00 0.00 0.00 0.00 60.65 59.47 1xkk s ILE 740 Cb -0.13 -2.52 -0.10 0.00 0.01 0.00 0.00 42.46 39.72 1xkk s ILE 740 CO 0.02 0.23 1.94 -0.81 0.00 0.00 0.00 174.94 176.32 1xkk n PRO 741 N 4.71 2.87 -4.20 2.79 -0.04 -1.26 0.11 135.00 139.98 1xkk n PRO 741 Ca -0.17 1.05 -0.12 0.00 -0.04 0.00 0.00 63.50 64.23 1xkk n PRO 741 Cb 0.48 -2.99 -0.10 0.00 -0.04 0.00 0.00 33.50 30.85 1xkk n PRO 741 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1xkk s VAL 742 N 3.95 0.43 -0.11 0.52 -7.23 0.56 -2.52 120.40 115.99 1xkk s VAL 742 Ca 0.87 -1.94 -0.02 0.00 -1.81 0.00 0.00 61.98 59.07 1xkk s VAL 742 Cb -0.44 -2.07 -0.03 0.00 0.56 0.00 0.00 36.38 34.40 1xkk s VAL 742 CO 0.40 -0.49 -0.03 0.00 -0.31 0.00 0.00 175.10 174.67 1xkk s ALA 743 N -3.82 3.08 -0.17 1.32 0.00 0.18 0.10 121.76 122.44 1xkk s ALA 743 Ca 0.23 -0.83 0.01 0.00 0.00 0.00 0.00 51.96 51.37 1xkk s ALA 743 Cb 0.07 -1.45 0.02 0.00 0.00 0.00 0.00 23.12 21.76 1xkk s ALA 743 CO 0.03 0.42 -0.19 0.42 0.00 0.00 0.00 175.76 176.43 1xkk s ILE 744 N -0.31 1.96 -0.25 0.00 1.01 0.18 -1.67 121.20 122.11 1xkk s ILE 744 Ca 0.05 -0.88 -0.07 0.00 0.00 0.00 0.00 60.65 59.76 1xkk s ILE 744 Cb -0.12 -1.78 -0.02 0.00 0.01 0.00 0.00 42.46 40.55 1xkk s ILE 744 CO 0.02 0.52 0.05 -0.75 0.00 0.00 0.00 174.94 174.79 1xkk s LYS 745 N 1.32 3.48 -0.30 2.79 2.20 0.98 0.48 119.74 130.70 1xkk s LYS 745 Ca 0.05 -0.59 -0.09 0.00 -0.36 0.00 0.00 55.97 54.98 1xkk s LYS 745 Cb -0.13 -3.27 -0.02 0.00 -1.51 0.00 0.00 37.83 32.90 1xkk s LYS 745 CO -0.12 -0.25 0.14 -2.00 -0.36 0.00 0.00 175.35 172.76 1xkk s GLU 746 N 1.56 3.45 0.53 4.03 2.12 -0.13 0.01 118.70 130.27 1xkk s GLU 746 Ca 0.05 -0.64 -0.21 0.00 0.36 0.00 0.00 54.97 54.54 1xkk s GLU 746 Cb -0.15 -3.53 -0.05 0.00 0.26 0.00 0.00 34.13 30.66 1xkk s GLU 746 CO 0.02 -0.35 1.26 -0.51 -0.54 0.00 0.00 175.26 175.14 1xkk s LEU 747 N 1.63 3.86 0.00 2.70 1.43 -0.71 -1.95 118.68 125.64 1xkk s LEU 747 Ca 0.05 2.53 0.00 0.00 -1.03 0.00 0.00 54.13 55.68 1xkk s LEU 747 Cb -0.17 -4.34 0.00 0.00 0.03 0.00 0.00 46.19 41.71 1xkk s LEU 747 CO 0.06 -1.37 0.70 -2.11 0.23 0.00 0.00 176.35 173.86 1xkk n ARG 748 N -0.99 0.00 -2.38 1.70 1.85 -0.55 -4.71 116.66 111.58 1xkk n ARG 748 Ca 0.10 0.52 -0.14 0.00 -1.00 0.00 0.00 57.85 57.33 1xkk n ARG 748 Cb 0.47 -1.20 0.05 0.00 -1.05 0.00 0.00 32.46 30.73 1xkk n ARG 748 CO 0.00 0.00 0.00 -0.85 -0.01 0.00 0.00 177.63 176.77 1xkk n GLU 749 N -1.55 0.68 0.00 2.89 0.28 -1.26 -5.04 120.64 116.64 1xkk n GLU 749 Ca 0.00 -2.20 0.00 0.00 -0.16 0.00 0.00 57.16 54.80 1xkk n GLU 749 Cb 0.00 -0.19 0.00 0.00 1.43 0.00 0.00 31.44 32.68 1xkk n GLU 749 CO 0.00 0.00 0.00 0.36 -0.16 0.00 0.00 177.13 177.33 1xkk n LYS 754 N -1.93 0.00 0.00 3.44 -0.00 -1.26 -4.82 118.16 113.59 1xkk n LYS 754 Ca 0.12 0.00 0.01 0.00 -0.00 0.00 0.00 58.31 58.44 1xkk n LYS 754 Cb 0.43 0.00 0.08 0.00 -0.00 0.00 0.00 35.03 35.54 1xkk n LYS 754 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1xkk n ALA 755 N -0.91 1.72 0.60 0.58 0.00 -1.26 -2.27 120.51 118.97 1xkk n ALA 755 Ca 0.00 -0.02 0.08 0.00 0.00 0.00 0.00 53.44 53.50 1xkk n ALA 755 Cb 0.00 -1.05 0.35 0.00 0.00 0.00 0.00 19.45 18.76 1xkk n ALA 755 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1xkk n ASN 756 N -0.72 0.00 0.08 0.00 5.03 -1.26 -2.90 115.26 115.49 1xkk n ASN 756 Ca 0.02 0.37 -0.13 0.00 0.87 0.00 0.00 54.58 55.72 1xkk n ASN 756 Cb 0.01 -0.44 -0.08 0.00 -1.02 0.00 0.00 39.78 38.25 1xkk n ASN 756 CO 0.00 0.00 0.00 0.11 -1.83 0.00 0.00 177.26 175.54 1xkk h LYS 757 N 0.00 -0.13 -0.83 3.52 1.79 -1.89 0.39 116.57 119.43 1xkk h LYS 757 Ca 0.00 0.01 -0.03 0.00 -2.18 0.00 0.00 60.65 58.45 1xkk h LYS 757 Cb 0.23 0.03 -0.04 0.00 -1.58 0.00 0.00 32.23 30.88 1xkk h LYS 757 CO 0.00 0.02 0.38 1.05 -1.08 0.00 0.00 179.45 179.83 1xkk h GLU 758 N -0.26 1.20 -0.59 3.15 -0.00 -1.82 -2.28 114.58 113.98 1xkk h GLU 758 Ca -0.01 -0.18 -0.02 0.00 -0.00 0.00 0.00 59.36 59.14 1xkk h GLU 758 Cb 0.21 -0.21 -0.03 0.00 -0.00 0.00 0.00 28.75 28.72 1xkk h GLU 758 CO 0.02 0.93 0.29 0.82 -0.00 0.00 0.00 179.01 181.07 1xkk h ILE 759 N 1.18 1.21 -0.25 -1.06 2.04 -1.53 -2.16 117.51 116.95 1xkk h ILE 759 Ca 0.28 -0.59 -0.04 0.00 1.00 0.00 0.00 64.86 65.51 1xkk h ILE 759 Cb 0.14 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 1xkk h ILE 759 CO -0.03 0.24 0.00 -0.07 0.00 0.00 0.00 178.15 178.29 1xkk h LEU 760 N 0.81 0.34 0.38 1.44 3.38 0.10 0.87 115.31 122.64 1xkk h LEU 760 Ca 0.20 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 1xkk h LEU 760 Cb 0.12 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1xkk h LEU 760 CO -0.03 0.40 -0.18 -0.78 0.09 0.00 0.00 178.44 177.95 1xkk h ASP 761 N 0.36 -0.43 0.00 -0.43 3.58 -0.83 0.28 116.42 118.95 1xkk h ASP 761 Ca 0.08 -0.08 -0.10 0.00 0.42 0.00 0.00 57.03 57.35 1xkk h ASP 761 Cb 0.25 0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.39 1xkk h ASP 761 CO 0.01 -0.17 -0.29 -0.08 -2.88 0.00 0.00 179.24 175.82 1xkk h GLU 762 N -0.69 0.44 -0.86 0.28 4.57 -1.36 -2.45 114.58 114.51 1xkk h GLU 762 Ca -0.05 -0.18 0.08 0.00 -1.18 0.00 0.00 59.36 58.03 1xkk h GLU 762 Cb 0.49 -0.02 -0.07 0.00 -0.16 0.00 0.00 28.75 28.99 1xkk h GLU 762 CO 0.09 0.69 0.52 0.00 -1.18 0.00 0.00 179.01 179.13 1xkk h ALA 763 N 1.31 1.21 -0.76 2.92 0.00 -0.60 -0.85 119.26 122.48 1xkk h ALA 763 Ca 0.05 0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.04 1xkk h ALA 763 Cb 0.71 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 18.24 1xkk h ALA 763 CO 0.05 0.21 0.44 -0.92 0.00 0.00 0.00 179.25 179.04 1xkk h TYR 764 N 0.91 0.80 -0.49 0.00 3.20 -0.44 -1.29 116.97 119.66 1xkk h TYR 764 Ca 0.39 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.30 1xkk h TYR 764 Cb 0.26 -0.25 -0.02 0.00 1.54 0.00 0.00 36.73 38.26 1xkk h TYR 764 CO -0.04 0.37 0.32 0.28 -1.64 0.00 0.00 178.16 177.45 1xkk h VAL 765 N 0.78 1.13 0.00 1.81 2.07 -1.11 0.25 116.25 121.18 1xkk h VAL 765 Ca 0.35 -0.24 -0.00 0.00 0.82 0.00 0.00 66.70 67.62 1xkk h VAL 765 Cb 0.24 0.41 -0.00 0.00 -1.52 0.00 0.00 31.29 30.42 1xkk h VAL 765 CO -0.20 0.13 -0.00 0.24 0.02 0.00 0.00 177.57 177.75 1xkk h MET 766 N 0.67 0.00 0.00 1.57 2.86 -0.74 -2.36 114.93 116.93 1xkk h MET 766 Ca 0.18 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.82 1xkk h MET 766 Cb -0.07 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.59 1xkk h MET 766 CO -0.04 0.00 -1.74 0.00 1.06 0.00 0.00 176.91 176.19 1xkk n ALA 767 N -2.09 3.27 1.35 6.32 0.00 -0.44 -0.75 120.51 128.16 1xkk n ALA 767 Ca -0.02 -0.53 0.13 0.00 0.00 0.00 0.00 53.44 53.02 1xkk n ALA 767 Cb 0.10 -0.74 0.43 0.00 0.00 0.00 0.00 19.45 19.24 1xkk n ALA 767 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1xkk n SER 768 N -2.07 1.34 -4.77 0.00 3.41 -0.05 -4.67 113.62 106.81 1xkk n SER 768 Ca -0.02 -1.23 -0.39 0.00 -0.26 0.00 0.00 58.87 56.98 1xkk n SER 768 Cb 0.50 0.08 -0.04 0.00 -0.26 0.00 0.00 64.21 64.49 1xkk n SER 768 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1xkk s VAL 769 N -2.25 3.48 -0.38 -3.33 -7.23 -1.21 -5.01 120.40 104.47 1xkk s VAL 769 Ca 0.31 1.33 0.03 0.00 -1.81 0.00 0.00 61.98 61.84 1xkk s VAL 769 Cb 0.20 -3.79 0.16 0.00 0.56 0.00 0.00 36.38 33.51 1xkk s VAL 769 CO 0.43 0.20 0.36 -0.62 -0.31 0.00 0.00 175.10 175.16 1xkk s ASP 770 N -1.11 1.37 -0.10 4.85 2.15 -1.26 -4.83 116.67 117.74 1xkk s ASP 770 Ca 0.51 -1.88 -0.16 0.00 0.43 0.00 0.00 52.55 51.44 1xkk s ASP 770 Cb -0.29 0.35 0.04 0.00 -0.30 0.00 0.00 42.92 42.72 1xkk s ASP 770 CO 0.37 -0.24 0.41 0.21 -0.17 0.00 0.00 175.17 175.75 1xkk s ASN 771 N 1.16 -0.38 0.37 -0.34 3.84 -1.26 -5.05 114.94 113.28 1xkk s ASN 771 Ca 0.20 0.60 0.27 0.00 0.21 0.00 0.00 52.86 54.14 1xkk s ASN 771 Cb -0.14 0.66 1.23 0.00 -0.55 0.00 0.00 41.25 42.46 1xkk s ASN 771 CO -0.04 -0.29 1.82 1.55 -2.79 0.00 0.00 177.10 177.35 1xkk h PRO 772 N 4.71 0.00 -0.52 0.43 0.13 -1.99 -2.80 132.00 131.97 1xkk h PRO 772 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1xkk h PRO 772 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1xkk h PRO 772 CO 0.30 0.00 0.00 0.72 -0.23 0.00 0.00 178.00 178.79 1xkk n HIS 773 N -2.50 1.14 -4.32 1.56 8.25 -1.26 -4.78 115.22 113.31 1xkk n HIS 773 Ca 0.01 -0.63 -0.23 0.00 -0.26 0.00 0.00 57.72 56.61 1xkk n HIS 773 Cb 0.19 -0.20 -0.17 0.00 1.12 0.00 0.00 29.99 30.94 1xkk n HIS 773 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1xkk s VAL 774 N -1.80 0.85 0.41 1.59 1.01 -1.06 -0.78 120.40 120.63 1xkk s VAL 774 Ca 0.43 -0.29 -0.25 0.00 0.00 0.00 0.00 61.98 61.87 1xkk s VAL 774 Cb 0.28 -0.83 -0.08 0.00 0.00 0.00 0.00 36.38 35.75 1xkk s VAL 774 CO 0.20 0.30 1.19 0.00 0.00 0.00 0.00 175.10 176.79 1xkk s ARG 776 N -2.36 2.46 -0.01 0.00 3.52 -1.26 -4.93 118.95 116.38 1xkk s ARG 776 Ca 0.58 -0.72 -0.30 0.00 -0.13 0.00 0.00 55.73 55.16 1xkk s ARG 776 Cb -0.31 -2.35 -0.03 0.00 -1.56 0.00 0.00 34.95 30.69 1xkk s ARG 776 CO 0.39 0.62 1.05 -1.17 -0.81 0.00 0.00 175.30 175.38 1xkk s LEU 777 N -0.74 4.34 -0.08 -0.88 2.96 0.07 -4.44 118.68 119.90 1xkk s LEU 777 Ca 0.11 1.73 0.04 0.00 -0.22 0.00 0.00 54.13 55.79 1xkk s LEU 777 Cb -0.11 -3.57 -0.24 0.00 0.50 0.00 0.00 46.19 42.77 1xkk s LEU 777 CO 0.01 -0.36 0.50 0.18 -1.32 0.00 0.00 176.35 175.36 1xkk n LEU 778 N 4.18 1.65 -3.74 -0.68 4.77 0.23 -4.43 117.00 118.98 1xkk n LEU 778 Ca 0.07 0.30 -0.01 0.00 -0.03 0.00 0.00 56.01 56.34 1xkk n LEU 778 Cb 0.49 -0.40 -0.00 0.00 -2.33 0.00 0.00 43.42 41.18 1xkk n LEU 778 CO 0.53 0.60 0.87 -0.83 -1.33 0.00 0.00 177.39 177.24 1xkk s GLY 779 N -5.35 -0.23 0.06 -0.72 0.00 -0.91 -3.20 107.32 96.96 1xkk s GLY 779 Ca -0.13 0.24 0.01 0.00 0.00 0.00 0.00 44.72 44.84 1xkk s GLY 779 CO 0.80 0.72 -0.06 -1.50 0.00 0.00 0.00 173.10 173.06 1xkk s ILE 780 N -2.75 0.48 -0.14 0.90 2.07 0.33 -0.89 121.20 121.20 1xkk s ILE 780 Ca 0.15 -1.52 -0.03 0.00 -1.41 0.00 0.00 60.65 57.84 1xkk s ILE 780 Cb 0.01 -1.14 0.05 0.00 0.13 0.00 0.00 42.46 41.50 1xkk s ILE 780 CO 0.01 -0.70 0.04 0.00 -1.91 0.00 0.00 174.94 172.37 1xkk s LEU 782 N 1.99 6.41 0.00 0.00 1.43 -1.26 -1.56 118.68 125.68 1xkk s LEU 782 Ca 0.02 -2.86 0.00 0.00 -1.03 0.00 0.00 54.13 50.26 1xkk s LEU 782 Cb -0.15 -2.14 0.00 0.00 0.03 0.00 0.00 46.19 43.94 1xkk s LEU 782 CO -0.07 -0.49 0.00 0.35 0.23 0.00 0.00 176.35 176.37 1xkk n THR 783 N 3.68 0.00 -0.11 5.49 -2.24 -1.26 -4.96 114.28 114.88 1xkk n THR 783 Ca 0.14 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.85 1xkk n THR 783 Cb 0.44 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.66 1xkk n THR 783 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1xkk h SER 784 N 0.00 -1.04 -5.58 3.42 0.02 -2.02 -3.42 113.55 104.93 1xkk h SER 784 Ca 0.00 0.18 -0.41 0.00 -0.84 0.00 0.00 61.79 60.73 1xkk h SER 784 Cb 0.00 0.49 -0.01 0.00 0.14 0.00 0.00 62.40 63.02 1xkk h SER 784 CO 0.00 -0.32 -0.14 0.35 -1.14 0.00 0.00 176.83 175.58 1xkk n THR 785 N -5.41 0.00 -4.68 -2.27 -2.24 -1.26 -5.12 114.28 93.29 1xkk n THR 785 Ca 0.01 -1.58 -0.33 0.00 -2.27 0.00 0.00 64.05 59.87 1xkk n THR 785 Cb 0.33 -0.35 -0.12 0.00 -2.10 0.00 0.00 70.33 68.09 1xkk n THR 785 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1xkk s VAL 786 N -1.93 3.48 -0.07 2.28 0.11 -1.26 -4.53 120.40 118.48 1xkk s VAL 786 Ca 0.33 -0.55 0.03 0.00 -2.93 0.00 0.00 61.98 58.87 1xkk s VAL 786 Cb -0.03 -2.43 0.01 0.00 -1.53 0.00 0.00 36.38 32.40 1xkk s VAL 786 CO 0.21 0.57 -0.16 -1.10 -3.33 0.00 0.00 175.10 171.29 1xkk s GLN 787 N -0.46 2.12 -0.13 1.54 -0.21 -0.60 -1.74 119.66 120.18 1xkk s GLN 787 Ca 0.06 -0.57 -0.04 0.00 0.02 0.00 0.00 55.36 54.83 1xkk s GLN 787 Cb -0.12 -1.69 -0.03 0.00 1.00 0.00 0.00 33.01 32.16 1xkk s GLN 787 CO 0.02 0.09 0.01 -0.51 -2.12 0.00 0.00 175.29 172.78 1xkk s LEU 788 N 0.52 3.57 -0.06 2.90 1.43 0.10 -0.93 118.68 126.21 1xkk s LEU 788 Ca -0.15 0.05 0.06 0.00 -1.03 0.00 0.00 54.13 53.06 1xkk s LEU 788 Cb -0.16 -1.85 -0.01 0.00 0.03 0.00 0.00 46.19 44.19 1xkk s LEU 788 CO 0.05 0.26 -0.24 -0.63 0.23 0.00 0.00 176.35 176.02 1xkk s ILE 789 N -0.17 2.00 0.18 -0.59 1.09 -0.07 -0.01 121.20 123.63 1xkk s ILE 789 Ca 0.05 -1.03 -0.09 0.00 -1.10 0.00 0.00 60.65 58.49 1xkk s ILE 789 Cb -0.12 -1.70 -0.01 0.00 -1.06 0.00 0.00 42.46 39.57 1xkk s ILE 789 CO 0.02 0.55 0.30 0.28 -0.10 0.00 0.00 174.94 175.99 1xkk s THR 790 N -0.08 0.05 0.32 2.92 -1.32 -0.67 -0.60 115.64 116.26 1xkk s THR 790 Ca -0.06 -1.44 -0.29 0.00 -1.21 0.00 0.00 61.69 58.69 1xkk s THR 790 Cb -0.14 -1.95 -0.10 0.00 -1.51 0.00 0.00 72.50 68.80 1xkk s THR 790 CO 0.04 -0.23 1.41 -1.58 -2.21 0.00 0.00 174.62 172.05 1xkk s GLN 791 N -3.99 4.25 -0.04 7.08 0.74 -1.26 -0.65 119.66 125.79 1xkk s GLN 791 Ca 0.20 2.36 -0.30 0.00 0.05 0.00 0.00 55.36 57.67 1xkk s GLN 791 Cb 0.03 -3.05 -0.03 0.00 1.10 0.00 0.00 33.01 31.06 1xkk s GLN 791 CO 0.02 -0.38 1.17 -1.17 -0.55 0.00 0.00 175.29 174.39 1xkk s LEU 792 N -1.40 4.30 -0.57 3.68 2.96 -1.05 -4.47 118.68 122.12 1xkk s LEU 792 Ca 0.54 1.81 -0.22 0.00 -0.22 0.00 0.00 54.13 56.04 1xkk s LEU 792 Cb -0.43 -3.56 0.06 0.00 0.50 0.00 0.00 46.19 42.76 1xkk s LEU 792 CO 0.53 -0.53 0.83 -0.04 -1.32 0.00 0.00 176.35 175.82 1xkk s MET 793 N 1.92 3.18 0.60 1.98 -1.94 -1.26 -4.94 119.30 118.84 1xkk s MET 793 Ca 0.55 -0.70 0.29 0.00 -1.71 0.00 0.00 55.69 54.12 1xkk s MET 793 Cb -0.25 -4.13 1.30 0.00 2.01 0.00 0.00 34.83 33.76 1xkk s MET 793 CO 0.23 -1.50 1.69 -1.00 -0.01 0.00 0.00 175.02 174.43 1xkk h PRO 794 N 9.27 0.00 -0.43 2.03 0.13 -1.81 -1.86 132.00 139.33 1xkk h PRO 794 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1xkk h PRO 794 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1xkk h PRO 794 CO 1.08 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 180.04 1xkk n PHE 795 N -3.54 0.56 -4.23 1.56 3.72 -0.91 -4.79 117.46 109.83 1xkk n PHE 795 Ca 0.14 -0.28 0.00 0.00 -0.05 0.00 0.00 57.45 57.26 1xkk n PHE 795 Cb 0.99 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.53 1xkk n PHE 795 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1xkk n GLY 796 N 1.53 -0.86 3.88 1.37 0.00 -0.70 -4.74 105.19 105.67 1xkk n GLY 796 Ca 0.20 -1.18 -0.31 0.00 0.00 0.00 0.00 46.02 44.73 1xkk n GLY 796 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xkk h LEU 798 N 2.32 0.74 0.50 0.00 5.85 0.08 -2.22 115.31 122.59 1xkk h LEU 798 Ca -0.47 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.28 1xkk h LEU 798 Cb 1.17 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 42.08 1xkk h LEU 798 CO 0.68 0.37 -0.49 0.25 -0.34 0.00 0.00 178.44 178.91 1xkk h LEU 799 N 0.79 -1.34 -1.68 2.25 5.85 -1.69 -1.08 115.31 118.40 1xkk h LEU 799 Ca 0.47 0.11 -0.02 0.00 0.84 0.00 0.00 57.88 59.28 1xkk h LEU 799 Cb 0.67 0.44 -0.01 0.00 0.37 0.00 0.00 40.66 42.13 1xkk h LEU 799 CO -0.23 -0.66 -0.04 0.44 -0.34 0.00 0.00 178.44 177.61 1xkk h ASP 800 N -0.99 0.13 0.27 1.25 3.32 -1.83 -2.52 116.42 116.05 1xkk h ASP 800 Ca -0.06 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 56.96 1xkk h ASP 800 Cb 0.86 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.38 1xkk h ASP 800 CO -0.06 0.20 -0.13 0.22 -1.72 0.00 0.00 179.24 177.76 1xkk h TYR 801 N 0.15 -0.34 -0.12 4.55 3.20 -0.78 0.22 116.97 123.85 1xkk h TYR 801 Ca 0.04 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.85 1xkk h TYR 801 Cb 0.17 0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.54 1xkk h TYR 801 CO 0.00 -0.16 -0.16 -0.39 -1.64 0.00 0.00 178.16 175.82 1xkk h VAL 802 N -0.43 1.18 -0.25 1.81 -1.51 -1.05 -0.49 116.25 115.51 1xkk h VAL 802 Ca -0.04 -0.80 -0.02 0.00 -1.23 0.00 0.00 66.70 64.61 1xkk h VAL 802 Cb 0.33 1.26 -0.01 0.00 -2.13 0.00 0.00 31.29 30.74 1xkk h VAL 802 CO 0.06 0.25 0.10 0.03 -1.23 0.00 0.00 177.57 176.77 1xkk h ARG 803 N 0.18 0.38 -0.32 5.19 3.08 -1.09 -0.82 114.38 120.98 1xkk h ARG 803 Ca 0.04 -0.07 -0.12 0.00 0.07 0.00 0.00 59.98 59.89 1xkk h ARG 803 Cb 0.39 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 1xkk h ARG 803 CO 0.02 0.42 -0.30 0.93 -1.07 0.00 0.00 179.97 179.98 1xkk h GLU 804 N 0.25 0.67 -0.86 0.04 4.39 -0.51 -3.03 114.58 115.54 1xkk h GLU 804 Ca 0.08 -0.30 -0.45 0.00 0.34 0.00 0.00 59.36 59.03 1xkk h GLU 804 Cb 0.19 -0.02 -0.27 0.00 -0.10 0.00 0.00 28.75 28.55 1xkk h GLU 804 CO -0.01 0.89 0.50 0.72 -1.16 0.00 0.00 179.01 179.96 1xkk n HIS 805 N -4.08 2.67 0.10 4.33 8.25 -0.23 -4.70 115.22 121.55 1xkk n HIS 805 Ca -0.01 -1.84 0.14 0.00 -0.26 0.00 0.00 57.72 55.75 1xkk n HIS 805 Cb 0.47 -0.87 0.29 0.00 1.12 0.00 0.00 29.99 31.00 1xkk n HIS 805 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 1xkk h LYS 806 N 1.03 0.00 0.00 -0.41 3.64 -1.02 -3.14 116.57 116.67 1xkk h LYS 806 Ca 0.55 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.93 1xkk h LYS 806 Cb 2.56 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 34.38 1xkk h LYS 806 CO 0.97 0.00 0.00 -0.25 -2.27 0.00 0.00 179.45 177.90 1xkk n ASP 807 N -2.91 0.00 -1.05 4.20 8.00 -1.26 -4.70 116.55 118.83 1xkk n ASP 807 Ca 0.10 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.60 1xkk n ASP 807 Cb 1.14 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 42.24 1xkk n ASP 807 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1xkk n ASN 808 N -0.38 0.00 -4.27 -2.24 5.03 -1.19 -4.61 115.26 107.60 1xkk n ASN 808 Ca 0.00 0.00 -0.36 0.00 0.87 0.00 0.00 54.58 55.09 1xkk n ASN 808 Cb 0.00 0.00 -0.14 0.00 -1.02 0.00 0.00 39.78 38.62 1xkk n ASN 808 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1xkk s ILE 809 N 0.05 3.36 0.66 2.41 1.01 -1.22 -5.00 121.20 122.48 1xkk s ILE 809 Ca 0.00 -0.84 -0.03 0.00 0.00 0.00 0.00 60.65 59.78 1xkk s ILE 809 Cb 0.00 -2.70 0.07 0.00 0.01 0.00 0.00 42.46 39.84 1xkk s ILE 809 CO 0.00 0.17 0.94 -0.83 0.00 0.00 0.00 174.94 175.22 1xkk s GLY 810 N 1.41 1.76 0.44 6.18 0.00 -1.26 -4.95 107.32 110.89 1xkk s GLY 810 Ca 0.02 -1.25 0.10 0.00 0.00 0.00 0.00 44.72 43.59 1xkk s GLY 810 CO -0.02 -0.84 2.05 1.48 0.00 0.00 0.00 173.10 175.78 1xkk h SER 811 N -0.39 0.26 -0.78 1.64 4.64 -1.91 -2.67 113.55 114.35 1xkk h SER 811 Ca -0.42 -0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 60.87 1xkk h SER 811 Cb 1.29 -0.07 -0.04 0.00 -0.31 0.00 0.00 62.40 63.28 1xkk h SER 811 CO 0.52 0.25 0.45 -0.61 -0.87 0.00 0.00 176.83 176.56 1xkk h GLN 812 N 0.30 1.08 0.08 4.77 5.75 -1.94 -1.43 115.11 123.73 1xkk h GLN 812 Ca 0.08 -0.11 -0.00 0.00 -0.15 0.00 0.00 58.65 58.46 1xkk h GLN 812 Cb 0.07 -0.22 0.00 0.00 1.07 0.00 0.00 27.48 28.40 1xkk h GLN 812 CO -0.01 0.78 -0.04 1.88 -2.65 0.00 0.00 178.83 178.80 1xkk h TYR 813 N 1.08 -0.10 -0.39 3.99 0.05 -1.88 -1.92 116.97 117.80 1xkk h TYR 813 Ca 0.28 -0.00 0.08 0.00 0.05 0.00 0.00 58.73 59.14 1xkk h TYR 813 Cb 0.00 0.03 -0.09 0.00 1.01 0.00 0.00 36.73 37.69 1xkk h TYR 813 CO -0.00 0.37 -0.22 -0.07 -1.05 0.00 0.00 178.16 177.19 1xkk h LEU 814 N -0.64 -0.73 -0.54 3.88 3.38 -1.40 0.34 115.31 119.60 1xkk h LEU 814 Ca -0.01 0.16 -0.09 0.00 0.09 0.00 0.00 57.88 58.02 1xkk h LEU 814 Cb 0.52 0.38 -0.02 0.00 0.09 0.00 0.00 40.66 41.63 1xkk h LEU 814 CO 0.02 -0.24 -0.03 -0.07 0.09 0.00 0.00 178.44 178.21 1xkk h LEU 815 N -0.15 0.97 -1.38 1.67 3.38 -1.34 -2.53 115.31 115.93 1xkk h LEU 815 Ca 0.19 -0.32 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 1xkk h LEU 815 Cb 0.44 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 1xkk h LEU 815 CO -0.48 1.05 0.36 0.78 0.09 0.00 0.00 178.44 180.24 1xkk h ASN 816 N 0.86 0.68 -0.43 -0.43 2.35 -0.63 -1.09 115.58 116.89 1xkk h ASN 816 Ca 0.15 -0.03 -0.06 0.00 -0.55 0.00 0.00 56.30 55.81 1xkk h ASN 816 Cb 0.58 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.76 1xkk h ASN 816 CO 0.03 0.52 0.02 -0.50 -1.65 0.00 0.00 177.43 175.85 1xkk h TRP 817 N 0.79 0.80 -0.64 1.19 6.55 -0.72 -0.22 115.95 123.70 1xkk h TRP 817 Ca 0.21 -0.13 0.05 0.00 0.95 0.00 0.00 58.89 59.97 1xkk h TRP 817 Cb -0.05 -0.21 -0.05 0.00 -0.86 0.00 0.00 29.16 27.99 1xkk h TRP 817 CO 0.00 0.79 0.37 0.00 -1.05 0.00 0.00 178.44 178.55 1xkk h VAL 819 N 0.70 1.07 -0.11 0.00 2.07 -1.00 -0.64 116.25 118.34 1xkk h VAL 819 Ca 0.28 -0.20 0.01 0.00 0.82 0.00 0.00 66.70 67.61 1xkk h VAL 819 Cb 0.13 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 1xkk h VAL 819 CO -0.15 0.06 0.01 1.56 0.02 0.00 0.00 177.57 179.06 1xkk h GLN 820 N -0.03 0.05 -0.62 1.57 4.20 -0.42 0.10 115.11 119.96 1xkk h GLN 820 Ca 0.01 -0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.68 1xkk h GLN 820 Cb 0.07 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.81 1xkk h GLN 820 CO -0.00 0.03 0.24 0.82 -0.67 0.00 0.00 178.83 179.25 1xkk h ILE 821 N 0.05 1.22 -0.70 2.54 2.04 -0.78 -0.84 117.51 121.04 1xkk h ILE 821 Ca 0.05 -0.69 -0.06 0.00 1.00 0.00 0.00 64.86 65.16 1xkk h ILE 821 Cb 0.05 0.49 -0.03 0.00 -0.74 0.00 0.00 36.82 36.59 1xkk h ILE 821 CO -0.07 0.28 0.21 0.00 0.00 0.00 0.00 178.15 178.56 1xkk h ALA 822 N 1.38 1.04 -0.54 1.87 0.00 -0.48 -0.52 119.26 122.01 1xkk h ALA 822 Ca 0.21 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1xkk h ALA 822 Cb 0.18 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1xkk h ALA 822 CO -0.02 0.64 0.06 0.87 0.00 0.00 0.00 179.25 180.81 1xkk h LYS 823 N 1.04 0.92 -0.53 0.00 1.57 -0.10 -1.11 116.57 118.36 1xkk h LYS 823 Ca 0.23 -0.26 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 1xkk h LYS 823 Cb 0.31 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 1xkk h LYS 823 CO -0.01 0.90 0.25 0.78 -0.57 0.00 0.00 179.45 180.81 1xkk h GLY 824 N 0.80 0.82 1.00 3.86 0.00 -0.80 -0.72 103.07 108.03 1xkk h GLY 824 Ca 0.16 -0.41 -0.07 0.00 0.00 0.00 0.00 47.33 47.01 1xkk h GLY 824 CO 0.02 0.39 0.04 -0.33 0.00 0.00 0.00 176.54 176.65 1xkk h MET 825 N 0.71 0.85 -0.92 4.80 2.86 -0.97 -1.55 114.93 120.71 1xkk h MET 825 Ca 0.18 -0.25 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 1xkk h MET 825 Cb 0.12 -0.09 -0.04 0.00 0.06 0.00 0.00 31.60 31.65 1xkk h MET 825 CO -0.02 0.87 0.58 -0.97 1.06 0.00 0.00 176.91 178.42 1xkk h ASN 826 N 0.71 1.08 -0.42 1.22 -1.24 -1.02 0.15 115.58 116.06 1xkk h ASN 826 Ca 0.14 -0.05 0.00 0.00 0.71 0.00 0.00 56.30 57.10 1xkk h ASN 826 Cb 0.46 -0.27 -0.02 0.00 0.73 0.00 0.00 38.32 39.22 1xkk h ASN 826 CO 0.02 0.81 0.26 0.22 -1.29 0.00 0.00 177.43 177.45 1xkk h TYR 827 N 1.25 0.55 -0.06 0.67 3.20 -0.79 -0.57 116.97 121.21 1xkk h TYR 827 Ca 0.33 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.16 1xkk h TYR 827 Cb -0.09 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 37.99 1xkk h TYR 827 CO -0.00 0.37 -0.16 -0.07 -1.64 0.00 0.00 178.16 176.66 1xkk h LEU 828 N 0.56 0.09 -0.74 2.82 3.38 -0.60 -1.36 115.31 119.46 1xkk h LEU 828 Ca 0.15 -0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.98 1xkk h LEU 828 Cb -0.03 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1xkk h LEU 828 CO -0.03 0.26 -0.36 -0.08 0.09 0.00 0.00 178.44 178.33 1xkk h GLU 829 N 0.09 0.55 0.00 1.13 4.81 -0.02 0.16 114.58 121.30 1xkk h GLU 829 Ca 0.02 -0.26 -0.04 0.00 -0.13 0.00 0.00 59.36 58.95 1xkk h GLU 829 Cb 0.35 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 1xkk h GLU 829 CO 0.02 0.83 -0.21 -0.44 -0.73 0.00 0.00 179.01 178.48 1xkk h ASP 830 N 0.46 0.00 -0.47 1.04 3.32 -0.02 -0.93 116.42 119.82 1xkk h ASP 830 Ca 0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.10 1xkk h ASP 830 Cb 0.84 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.39 1xkk h ASP 830 CO 0.07 0.21 0.00 0.54 -1.72 0.00 0.00 179.24 178.34 1xkk n ARG 831 N -3.64 2.14 -3.89 3.56 5.12 -0.92 -4.93 116.66 114.09 1xkk n ARG 831 Ca -0.01 -1.76 -0.25 0.00 -1.93 0.00 0.00 57.85 53.90 1xkk n ARG 831 Cb 0.34 -1.39 -0.00 0.00 -1.16 0.00 0.00 32.46 30.24 1xkk n ARG 831 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1xkk n ARG 832 N 0.94 -3.85 -4.06 5.56 1.74 -0.35 -4.96 116.66 111.69 1xkk n ARG 832 Ca 0.17 0.47 -0.33 0.00 -0.77 0.00 0.00 57.85 57.39 1xkk n ARG 832 Cb 0.42 -4.78 -0.15 0.00 -1.02 0.00 0.00 32.46 26.93 1xkk n ARG 832 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1xkk s LEU 833 N -6.91 3.24 -0.20 0.55 1.43 0.51 -5.02 118.68 112.29 1xkk s LEU 833 Ca 0.06 -1.21 -0.25 0.00 -1.03 0.00 0.00 54.13 51.70 1xkk s LEU 833 Cb -0.03 -1.56 -0.01 0.00 0.03 0.00 0.00 46.19 44.62 1xkk s LEU 833 CO 0.87 -0.16 0.82 -0.69 0.23 0.00 0.00 176.35 177.42 1xkk s VAL 834 N 1.17 4.87 0.09 -1.59 1.01 -1.26 -4.27 120.40 120.41 1xkk s VAL 834 Ca -0.05 1.59 -0.31 0.00 0.00 0.00 0.00 61.98 63.20 1xkk s VAL 834 Cb -0.18 -4.12 -0.15 0.00 0.00 0.00 0.00 36.38 31.92 1xkk s VAL 834 CO -0.06 -0.00 1.62 -0.74 0.00 0.00 0.00 175.10 175.92 1xkk h HIS 835 N 7.46 -0.89 0.00 5.22 2.76 -1.94 -3.40 115.15 124.35 1xkk h HIS 835 Ca -0.27 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.89 1xkk h HIS 835 Cb 1.12 0.33 0.00 0.00 1.55 0.00 0.00 27.41 30.41 1xkk h HIS 835 CO 0.73 -0.49 0.00 0.54 -1.30 0.00 0.00 177.93 177.40 1xkk n ARG 836 N -5.46 0.00 -2.72 5.26 1.74 -1.26 -3.89 116.66 110.33 1xkk n ARG 836 Ca -0.11 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 56.95 1xkk n ARG 836 Cb 0.36 -1.98 0.10 0.00 -1.02 0.00 0.00 32.46 29.92 1xkk n ARG 836 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1xkk n ASP 837 N 0.00 -0.51 -4.72 0.55 2.03 -1.26 -4.98 116.55 107.65 1xkk n ASP 837 Ca 0.00 -2.18 -0.42 0.00 0.52 0.00 0.00 54.79 52.71 1xkk n ASP 837 Cb 0.00 0.33 -0.03 0.00 -0.72 0.00 0.00 41.12 40.70 1xkk n ASP 837 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1xkk s LEU 838 N -3.96 4.40 -0.03 -2.67 2.96 -1.26 -4.82 118.68 113.29 1xkk s LEU 838 Ca 0.15 2.17 -0.29 0.00 -0.22 0.00 0.00 54.13 55.94 1xkk s LEU 838 Cb 0.41 -3.59 0.11 0.00 0.50 0.00 0.00 46.19 43.61 1xkk s LEU 838 CO -0.10 -0.47 0.92 0.00 -1.32 0.00 0.00 176.35 175.38 1xkk s ALA 839 N 0.61 -1.85 0.55 5.97 0.00 -1.26 -4.76 121.76 121.02 1xkk s ALA 839 Ca 0.58 1.11 0.25 0.00 0.00 0.00 0.00 51.96 53.90 1xkk s ALA 839 Cb -0.32 0.28 1.46 0.00 0.00 0.00 0.00 23.12 24.54 1xkk s ALA 839 CO 0.33 -0.65 2.05 0.00 0.00 0.00 0.00 175.76 177.49 1xkk h ALA 840 N 2.05 2.18 0.00 0.00 0.00 -1.92 0.24 119.26 121.81 1xkk h ALA 840 Ca -0.21 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1xkk h ALA 840 Cb 1.23 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 1xkk h ALA 840 CO 0.30 -0.44 -0.03 0.07 0.00 0.00 0.00 179.25 179.15 1xkk h ARG 841 N 0.00 0.00 -0.78 0.00 0.11 -1.95 -2.54 114.38 109.21 1xkk h ARG 841 Ca 0.16 0.00 -0.34 0.00 0.10 0.00 0.00 59.98 59.90 1xkk h ARG 841 Cb 0.70 0.00 -0.20 0.00 1.11 0.00 0.00 29.97 31.57 1xkk h ARG 841 CO -0.00 0.03 0.38 0.09 0.10 0.00 0.00 179.97 180.57 1xkk n ASN 842 N -3.12 3.96 -4.06 0.08 3.02 0.82 -4.79 115.26 111.17 1xkk n ASN 842 Ca 0.01 -3.48 -0.30 0.00 -0.03 0.00 0.00 54.58 50.79 1xkk n ASN 842 Cb 0.38 -0.76 -0.17 0.00 -0.61 0.00 0.00 39.78 38.62 1xkk n ASN 842 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1xkk s VAL 843 N -3.17 1.62 0.15 2.41 1.01 -1.13 -1.43 120.40 119.86 1xkk s VAL 843 Ca 0.54 -0.70 0.03 0.00 0.00 0.00 0.00 61.98 61.85 1xkk s VAL 843 Cb 0.45 -1.48 -0.04 0.00 0.00 0.00 0.00 36.38 35.31 1xkk s VAL 843 CO 0.10 0.47 0.27 -0.76 0.00 0.00 0.00 175.10 175.17 1xkk s LEU 844 N 1.12 4.29 -0.39 3.92 1.43 0.15 0.59 118.68 129.79 1xkk s LEU 844 Ca -0.03 0.14 -0.08 0.00 -1.03 0.00 0.00 54.13 53.14 1xkk s LEU 844 Cb -0.14 -2.86 0.06 0.00 0.03 0.00 0.00 46.19 43.28 1xkk s LEU 844 CO -0.05 0.06 0.20 -0.69 0.23 0.00 0.00 176.35 176.10 1xkk s VAL 845 N -1.74 4.02 0.00 -1.59 1.01 -0.19 -0.52 120.40 121.39 1xkk s VAL 845 Ca 0.34 -1.32 -0.21 0.00 0.00 0.00 0.00 61.98 60.79 1xkk s VAL 845 Cb -0.11 -3.40 -0.20 0.00 0.00 0.00 0.00 36.38 32.67 1xkk s VAL 845 CO 0.28 -0.39 1.18 0.50 0.00 0.00 0.00 175.10 176.67 1xkk h LYS 846 N 8.31 0.31 -3.43 2.72 3.64 -1.61 -2.42 116.57 124.10 1xkk h LYS 846 Ca -0.22 -0.25 -0.08 0.00 -1.27 0.00 0.00 60.65 58.83 1xkk h LYS 846 Cb 1.08 0.05 -0.15 0.00 -0.41 0.00 0.00 32.23 32.80 1xkk h LYS 846 CO 0.69 0.89 -0.22 0.95 -2.27 0.00 0.00 179.45 179.49 1xkk s THR 847 N -3.64 0.09 0.62 1.00 -4.23 -1.07 -4.56 115.64 103.85 1xkk s THR 847 Ca -0.14 -0.75 0.29 0.00 -1.18 0.00 0.00 61.69 59.90 1xkk s THR 847 Cb 0.03 -1.09 0.35 0.00 1.34 0.00 0.00 72.50 73.12 1xkk s THR 847 CO 0.77 -0.42 1.93 -0.65 -0.54 0.00 0.00 174.62 175.71 1xkk h PRO 848 N 2.87 0.00 0.00 3.99 0.11 -2.01 0.41 132.00 137.37 1xkk h PRO 848 Ca -0.33 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.61 1xkk h PRO 848 Cb 1.21 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.30 1xkk h PRO 848 CO 0.48 0.00 -0.94 1.96 -0.21 0.00 0.00 178.00 179.30 1xkk h GLN 849 N 0.00 0.00 -4.30 1.05 7.50 -2.00 -3.46 115.11 113.90 1xkk h GLN 849 Ca 0.11 0.00 -0.45 0.00 0.50 0.00 0.00 58.65 58.81 1xkk h GLN 849 Cb 0.88 0.00 -0.33 0.00 0.05 0.00 0.00 27.48 28.08 1xkk h GLN 849 CO -0.00 0.66 -0.79 -1.01 -1.50 0.00 0.00 178.83 176.19 1xkk s HIS 850 N -2.82 1.05 0.30 2.96 3.76 0.13 -4.94 115.29 115.73 1xkk s HIS 850 Ca 0.01 -0.34 0.11 0.00 -0.15 0.00 0.00 55.06 54.69 1xkk s HIS 850 Cb 0.09 -0.82 -0.05 0.00 1.11 0.00 0.00 32.58 32.90 1xkk s HIS 850 CO 0.79 -0.21 -0.13 0.14 -0.85 0.00 0.00 174.74 174.48 1xkk s VAL 851 N 0.71 2.55 -0.07 -0.90 -7.23 -1.26 -1.59 120.40 112.61 1xkk s VAL 851 Ca -0.12 -2.27 -0.06 0.00 -1.81 0.00 0.00 61.98 57.72 1xkk s VAL 851 Cb -0.14 -2.49 0.02 0.00 0.56 0.00 0.00 36.38 34.33 1xkk s VAL 851 CO 0.02 -0.33 0.19 -0.54 -0.31 0.00 0.00 175.10 174.12 1xkk s LYS 852 N -3.57 0.20 0.34 4.82 1.02 0.32 -4.60 119.74 118.27 1xkk s LYS 852 Ca 0.31 0.29 -0.27 0.00 0.02 0.00 0.00 55.97 56.33 1xkk s LYS 852 Cb -0.03 0.06 -0.09 0.00 -0.52 0.00 0.00 37.83 37.25 1xkk s LYS 852 CO 0.16 -0.05 1.07 0.42 -0.92 0.00 0.00 175.35 176.04 1xkk s ILE 853 N 0.30 3.59 0.29 2.17 1.01 0.04 0.34 121.20 128.95 1xkk s ILE 853 Ca -0.02 1.41 0.04 0.00 0.00 0.00 0.00 60.65 62.09 1xkk s ILE 853 Cb -0.03 -3.83 -0.02 0.00 0.01 0.00 0.00 42.46 38.60 1xkk s ILE 853 CO -0.01 0.20 0.29 1.07 0.00 0.00 0.00 174.94 176.49 1xkk n THR 854 N 0.59 0.00 -1.24 2.92 5.66 -0.51 -0.51 114.28 121.19 1xkk n THR 854 Ca 0.02 -1.93 -0.08 0.00 -3.05 0.00 0.00 64.05 59.01 1xkk n THR 854 Cb 0.47 1.01 -0.04 0.00 -1.55 0.00 0.00 70.33 70.23 1xkk n THR 854 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1xkk n ASP 855 N -1.83 -4.81 -4.89 1.09 8.00 -1.26 -4.82 116.55 108.03 1xkk n ASP 855 Ca 0.05 0.21 -0.29 0.00 0.71 0.00 0.00 54.79 55.47 1xkk n ASP 855 Cb 0.51 -3.04 0.03 0.00 -0.02 0.00 0.00 41.12 38.60 1xkk n ASP 855 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1xkk s PHE 856 N -2.05 3.38 0.00 1.24 -0.71 -1.26 -3.97 117.98 114.62 1xkk s PHE 856 Ca 0.00 0.95 0.00 0.00 -1.04 0.00 0.00 56.93 56.84 1xkk s PHE 856 Cb 0.00 -2.83 0.00 0.00 -1.21 0.00 0.00 43.02 38.98 1xkk s PHE 856 CO 0.00 -0.90 0.00 0.41 -1.34 0.00 0.00 175.22 173.39 1xkk n GLY 857 N -2.76 1.89 0.21 1.99 0.00 -1.25 -4.81 105.19 100.45 1xkk n GLY 857 Ca 0.05 -0.16 -0.09 0.00 0.00 0.00 0.00 46.02 45.83 1xkk n GLY 857 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1xkk h LEU 858 N 0.00 0.63 -0.13 0.99 3.38 -1.87 -2.43 115.31 115.89 1xkk h LEU 858 Ca 0.00 -0.17 0.05 0.00 0.09 0.00 0.00 57.88 57.84 1xkk h LEU 858 Cb 0.00 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 40.52 1xkk h LEU 858 CO 0.00 0.63 -0.35 0.00 0.09 0.00 0.00 178.44 178.81 1xkk h ALA 859 N 1.03 -0.44 0.36 1.53 0.00 -1.82 0.14 119.26 120.06 1xkk h ALA 859 Ca 0.15 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1xkk h ALA 859 Cb 0.20 0.66 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 1xkk h ALA 859 CO -0.01 -0.84 -0.22 -0.22 0.00 0.00 0.00 179.25 177.97 1xkk h LYS 860 N -0.43 -0.53 -0.82 0.00 3.64 -1.87 -0.67 116.57 115.90 1xkk h LYS 860 Ca 0.09 0.04 0.20 0.00 -1.27 0.00 0.00 60.65 59.70 1xkk h LYS 860 Cb 0.57 0.12 -0.13 0.00 -0.41 0.00 0.00 32.23 32.39 1xkk h LYS 860 CO -0.36 -0.35 0.22 1.25 -2.27 0.00 0.00 179.45 177.93 1xkk h LEU 861 N -0.55 0.03 -2.56 5.20 5.85 -1.02 0.15 115.31 122.39 1xkk h LEU 861 Ca -0.04 0.17 -0.11 0.00 0.84 0.00 0.00 57.88 58.74 1xkk h LEU 861 Cb 0.45 0.23 -0.07 0.00 0.37 0.00 0.00 40.66 41.64 1xkk h LEU 861 CO 0.05 -0.09 0.14 0.18 -0.34 0.00 0.00 178.44 178.38 1xkk n LEU 862 N -5.18 3.98 -1.74 2.25 4.77 0.45 -4.91 117.00 116.62 1xkk n LEU 862 Ca 0.18 -2.05 -0.07 0.00 -0.03 0.00 0.00 56.01 54.04 1xkk n LEU 862 Cb 0.57 -0.62 0.03 0.00 -2.33 0.00 0.00 43.42 41.07 1xkk n LEU 862 CO 0.10 0.58 0.05 0.61 -1.33 0.00 0.00 177.39 177.40 1xkk n GLY 863 N 0.03 0.26 0.24 -0.72 0.00 0.04 -4.97 105.19 100.08 1xkk n GLY 863 Ca 0.20 -0.31 0.14 0.00 0.00 0.00 0.00 46.02 46.06 1xkk n GLY 863 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xkk h ALA 864 N 0.32 1.00 -0.99 4.61 0.00 -1.22 -3.30 119.26 119.68 1xkk h ALA 864 Ca -0.20 0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.21 1xkk h ALA 864 Cb 1.12 0.00 -0.42 0.00 0.00 0.00 0.00 17.79 18.49 1xkk h ALA 864 CO 0.18 0.00 -0.88 -0.85 0.00 0.00 0.00 179.25 177.70 1xkk n GLU 865 N -3.06 2.99 -3.68 0.00 0.28 -1.26 -4.96 120.64 110.95 1xkk n GLU 865 Ca 0.02 -4.08 -0.14 0.00 -0.16 0.00 0.00 57.16 52.80 1xkk n GLU 865 Cb 0.42 -2.05 -0.14 0.00 1.43 0.00 0.00 31.44 31.10 1xkk n GLU 865 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 1xkk s GLU 866 N -3.55 0.13 -0.01 3.44 0.41 -1.24 -5.10 118.70 112.77 1xkk s GLU 866 Ca 0.44 0.64 -0.00 0.00 -0.41 0.00 0.00 54.97 55.63 1xkk s GLU 866 Cb 0.40 -0.12 -0.00 0.00 -1.78 0.00 0.00 34.13 32.63 1xkk s GLU 866 CO -0.05 -0.26 0.17 1.63 -0.49 0.00 0.00 175.26 176.27 1xkk n LYS 867 N 5.04 0.00 -2.95 1.61 5.02 -1.26 -5.00 118.16 120.63 1xkk n LYS 867 Ca -0.11 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.22 1xkk n LYS 867 Cb 0.50 -0.16 0.00 0.00 -0.02 0.00 0.00 35.03 35.36 1xkk n LYS 867 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1xkk s VAL 876 N 0.00 -0.22 0.00 -0.18 -7.23 -1.26 -5.14 120.40 106.36 1xkk s VAL 876 Ca 0.01 0.00 -0.01 0.00 -1.81 0.00 0.00 61.98 60.17 1xkk s VAL 876 Cb -0.01 -0.10 -0.05 0.00 0.56 0.00 0.00 36.38 36.77 1xkk s VAL 876 CO 0.01 0.00 1.30 -2.65 -0.31 0.00 0.00 175.10 173.44 1xkk n PRO 877 N 4.35 0.62 -0.33 4.82 -0.02 -1.26 -4.65 135.00 138.52 1xkk n PRO 877 Ca 0.07 -0.20 0.31 0.00 -2.02 0.00 0.00 63.50 61.66 1xkk n PRO 877 Cb 0.61 -1.49 0.57 0.00 -0.02 0.00 0.00 33.50 33.17 1xkk n PRO 877 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1xkk h ILE 878 N 2.06 0.07 0.00 4.25 1.08 -1.96 0.11 117.51 123.12 1xkk h ILE 878 Ca 0.04 -0.03 0.00 0.00 -0.39 0.00 0.00 64.86 64.48 1xkk h ILE 878 Cb 0.52 -0.01 0.00 0.00 -3.07 0.00 0.00 36.82 34.26 1xkk h ILE 878 CO 0.18 0.01 0.00 0.29 -0.69 0.00 0.00 178.15 177.95 1xkk n LYS 879 N -5.17 0.27 -0.00 2.37 5.02 -1.26 -2.92 118.16 116.47 1xkk n LYS 879 Ca 0.37 0.05 0.05 0.00 -2.02 0.00 0.00 58.31 56.75 1xkk n LYS 879 Cb 1.24 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 34.69 1xkk n LYS 879 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 1xkk n TRP 880 N -1.35 0.00 -2.70 2.13 8.01 0.35 -4.98 117.44 118.91 1xkk n TRP 880 Ca 0.11 0.00 -0.36 0.00 -1.31 0.00 0.00 57.50 55.94 1xkk n TRP 880 Cb 0.23 -0.09 -0.06 0.00 -2.01 0.00 0.00 31.31 29.39 1xkk n TRP 880 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.69 175.04 1xkk s MET 881 N -2.21 4.35 0.59 -0.99 -1.94 -0.89 -3.74 119.30 114.47 1xkk s MET 881 Ca 0.01 1.36 -0.15 0.00 -1.71 0.00 0.00 55.69 55.19 1xkk s MET 881 Cb 0.07 -2.58 -0.04 0.00 2.01 0.00 0.00 34.83 34.29 1xkk s MET 881 CO 0.39 0.06 1.05 0.00 -0.01 0.00 0.00 175.02 176.50 1xkk s ALA 882 N -1.74 2.79 0.18 3.03 0.00 -1.26 -4.84 121.76 119.92 1xkk s ALA 882 Ca 0.55 0.33 -0.15 0.00 0.00 0.00 0.00 51.96 52.69 1xkk s ALA 882 Cb -0.18 -3.21 0.16 0.00 0.00 0.00 0.00 23.12 19.89 1xkk s ALA 882 CO 0.23 -0.76 1.66 1.25 0.00 0.00 0.00 175.76 178.15 1xkk h LEU 883 N 0.40 -0.35 -1.78 0.00 5.85 -1.94 0.18 115.31 117.68 1xkk h LEU 883 Ca -0.47 0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.42 1xkk h LEU 883 Cb 1.21 0.26 -0.02 0.00 0.37 0.00 0.00 40.66 42.49 1xkk h LEU 883 CO 0.58 -0.13 0.20 1.05 -0.34 0.00 0.00 178.44 179.81 1xkk h GLU 884 N 0.04 0.28 -0.07 1.25 9.09 -1.91 -0.55 114.58 122.72 1xkk h GLU 884 Ca 0.24 -0.02 -0.21 0.00 0.05 0.00 0.00 59.36 59.42 1xkk h GLU 884 Cb 0.37 -0.06 0.00 0.00 -1.65 0.00 0.00 28.75 27.40 1xkk h GLU 884 CO -0.46 0.19 -0.82 0.77 0.05 0.00 0.00 179.01 178.74 1xkk h SER 885 N 0.29 0.63 -0.19 3.06 0.02 -1.00 -0.06 113.55 116.30 1xkk h SER 885 Ca 0.13 -0.44 -0.07 0.00 -0.84 0.00 0.00 61.79 60.56 1xkk h SER 885 Cb 0.14 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 62.49 1xkk h SER 885 CO -0.03 1.21 -0.17 0.40 -1.14 0.00 0.00 176.83 177.11 1xkk h ILE 886 N 0.33 1.33 0.13 3.27 2.04 -0.13 -2.00 117.51 122.48 1xkk h ILE 886 Ca -0.05 -1.31 -0.21 0.00 1.00 0.00 0.00 64.86 64.29 1xkk h ILE 886 Cb 1.42 1.76 0.02 0.00 -0.74 0.00 0.00 36.82 39.28 1xkk h ILE 886 CO 0.15 0.40 -0.90 -0.07 0.00 0.00 0.00 178.15 177.72 1xkk h LEU 887 N 0.12 0.57 -3.00 1.44 3.38 -1.20 -3.40 115.31 113.22 1xkk h LEU 887 Ca 0.03 -0.90 0.00 0.00 0.09 0.00 0.00 57.88 57.10 1xkk h LEU 887 Cb 0.70 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1xkk h LEU 887 CO 0.04 1.42 0.00 1.41 0.09 0.00 0.00 178.44 181.41 1xkk n HIS 888 N -4.06 0.04 -2.70 1.13 8.25 -0.05 -4.98 115.22 112.85 1xkk n HIS 888 Ca -0.14 -0.58 -0.19 0.00 -0.26 0.00 0.00 57.72 56.56 1xkk n HIS 888 Cb 0.85 -0.07 0.00 0.00 1.12 0.00 0.00 29.99 31.89 1xkk n HIS 888 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1xkk n ARG 889 N -0.59 -2.84 -3.28 -0.41 1.74 -0.75 -4.92 116.66 105.61 1xkk n ARG 889 Ca 0.03 0.76 -0.40 0.00 -0.77 0.00 0.00 57.85 57.48 1xkk n ARG 889 Cb 0.33 -5.45 -0.08 0.00 -1.02 0.00 0.00 32.46 26.23 1xkk n ARG 889 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1xkk s ILE 890 N -2.90 5.09 -0.13 0.55 1.01 -1.13 -4.84 121.20 118.85 1xkk s ILE 890 Ca 0.13 0.71 0.02 0.00 0.00 0.00 0.00 60.65 61.50 1xkk s ILE 890 Cb -0.06 -3.81 0.02 0.00 0.01 0.00 0.00 42.46 38.61 1xkk s ILE 890 CO 0.16 0.06 -0.17 -0.31 0.00 0.00 0.00 174.94 174.68 1xkk s TYR 891 N 2.25 2.23 0.34 3.97 1.51 -1.26 -3.24 117.35 123.15 1xkk s TYR 891 Ca 0.19 -1.13 0.07 0.00 -1.01 0.00 0.00 57.07 55.19 1xkk s TYR 891 Cb -0.16 -1.58 -0.03 0.00 -0.11 0.00 0.00 41.96 40.08 1xkk s TYR 891 CO 0.10 -0.57 0.25 0.25 -1.11 0.00 0.00 175.55 174.47 1xkk n THR 892 N 4.31 0.00 0.23 -0.71 -2.24 -1.26 -4.97 114.28 109.65 1xkk n THR 892 Ca -0.19 -2.36 0.09 0.00 -2.27 0.00 0.00 64.05 59.32 1xkk n THR 892 Cb 0.51 1.11 0.58 0.00 -2.10 0.00 0.00 70.33 70.42 1xkk n THR 892 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 1xkk h HIS 893 N 1.96 0.00 0.00 4.78 3.86 -1.99 -1.29 115.15 122.47 1xkk h HIS 893 Ca -0.25 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 58.88 1xkk h HIS 893 Cb 1.17 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.63 1xkk h HIS 893 CO 0.00 0.20 -0.42 1.96 0.86 0.00 0.00 177.93 180.53 1xkk h GLN 894 N 0.00 0.00 -0.00 2.45 1.08 -1.94 -2.25 115.11 114.45 1xkk h GLN 894 Ca -0.00 0.00 -0.16 0.00 -1.45 0.00 0.00 58.65 57.04 1xkk h GLN 894 Cb 0.46 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.87 1xkk h GLN 894 CO 0.03 0.42 -0.76 0.66 -0.95 0.00 0.00 178.83 178.23 1xkk h SER 895 N 0.00 0.05 0.23 1.46 4.64 -1.63 -2.74 113.55 115.57 1xkk h SER 895 Ca -0.00 -0.03 -0.07 0.00 -0.47 0.00 0.00 61.79 61.21 1xkk h SER 895 Cb 1.25 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 63.31 1xkk h SER 895 CO 0.06 0.79 -0.29 0.44 -0.87 0.00 0.00 176.83 176.95 1xkk h ASP 896 N 0.02 0.10 0.10 4.97 3.32 -1.13 -2.36 116.42 121.45 1xkk h ASP 896 Ca -0.01 -0.03 -0.08 0.00 0.02 0.00 0.00 57.03 56.93 1xkk h ASP 896 Cb 1.34 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.85 1xkk h ASP 896 CO 0.10 0.40 -0.26 0.58 -1.72 0.00 0.00 179.24 178.34 1xkk h VAL 897 N 0.09 1.24 0.05 -1.35 2.07 -1.10 0.20 116.25 117.46 1xkk h VAL 897 Ca 0.01 -1.15 -0.00 0.00 0.82 0.00 0.00 66.70 66.38 1xkk h VAL 897 Cb 0.57 1.42 0.00 0.00 -1.52 0.00 0.00 31.29 31.76 1xkk h VAL 897 CO 0.04 0.35 -0.02 -0.25 0.02 0.00 0.00 177.57 177.71 1xkk h TRP 898 N 0.24 -0.06 -0.50 1.57 2.91 -1.33 -1.25 115.95 117.54 1xkk h TRP 898 Ca 0.04 -0.00 -0.00 0.00 1.13 0.00 0.00 58.89 60.05 1xkk h TRP 898 Cb 0.59 0.02 -0.02 0.00 -0.51 0.00 0.00 29.16 29.24 1xkk h TRP 898 CO 0.01 0.22 0.30 0.77 -1.03 0.00 0.00 178.44 178.71 1xkk h SER 899 N -0.34 0.59 -0.81 2.65 0.02 -1.23 0.24 113.55 114.66 1xkk h SER 899 Ca -0.01 -0.03 0.02 0.00 -0.84 0.00 0.00 61.79 60.94 1xkk h SER 899 Cb 0.31 -0.15 -0.05 0.00 0.14 0.00 0.00 62.40 62.66 1xkk h SER 899 CO 0.01 0.45 0.53 0.22 -1.14 0.00 0.00 176.83 176.90 1xkk h TYR 900 N 0.68 0.99 -0.93 3.45 3.20 -0.19 -0.10 116.97 124.08 1xkk h TYR 900 Ca 0.18 0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.08 1xkk h TYR 900 Cb -0.03 -0.33 -0.05 0.00 1.54 0.00 0.00 36.73 37.87 1xkk h TYR 900 CO 0.00 0.59 0.60 0.78 -1.64 0.00 0.00 178.16 178.49 1xkk h GLY 901 N 1.04 1.31 1.01 1.82 0.00 0.24 -0.84 103.07 107.66 1xkk h GLY 901 Ca 0.31 -0.50 -0.15 0.00 0.00 0.00 0.00 47.33 46.99 1xkk h GLY 901 CO -0.10 0.49 -0.41 -2.08 0.00 0.00 0.00 176.54 174.44 1xkk h VAL 902 N 1.26 1.30 -0.46 4.60 2.07 -0.89 -1.39 116.25 122.74 1xkk h VAL 902 Ca 0.34 -1.61 0.04 0.00 0.82 0.00 0.00 66.70 66.29 1xkk h VAL 902 Cb -0.13 1.71 -0.04 0.00 -1.52 0.00 0.00 31.29 31.31 1xkk h VAL 902 CO -0.07 0.51 0.21 0.74 0.02 0.00 0.00 177.57 178.99 1xkk h THR 903 N 0.46 0.94 -0.82 2.57 2.02 -0.61 0.15 112.91 117.62 1xkk h THR 903 Ca 0.02 -0.15 -0.01 0.00 0.77 0.00 0.00 66.41 67.04 1xkk h THR 903 Cb 1.01 0.47 -0.04 0.00 -1.74 0.00 0.00 68.15 67.85 1xkk h THR 903 CO 0.09 0.08 0.47 0.58 0.37 0.00 0.00 175.52 177.11 1xkk h VAL 904 N 0.43 1.23 -0.88 3.16 2.07 -1.07 -1.57 116.25 119.63 1xkk h VAL 904 Ca 0.20 -0.55 0.01 0.00 0.82 0.00 0.00 66.70 67.18 1xkk h VAL 904 Cb 0.14 0.12 -0.04 0.00 -1.52 0.00 0.00 31.29 29.98 1xkk h VAL 904 CO -0.16 0.25 0.58 -0.25 0.02 0.00 0.00 177.57 178.01 1xkk h TRP 905 N 1.13 1.11 -0.95 1.57 7.01 -0.08 -1.32 115.95 124.40 1xkk h TRP 905 Ca 0.29 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.32 1xkk h TRP 905 Cb -0.01 -0.37 -0.05 0.00 -2.10 0.00 0.00 29.16 26.63 1xkk h TRP 905 CO -0.00 0.70 0.60 0.93 -2.79 0.00 0.00 178.44 177.88 1xkk h GLU 906 N 1.19 1.28 0.20 2.65 5.08 0.06 -1.95 114.58 123.09 1xkk h GLU 906 Ca 0.32 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.57 1xkk h GLU 906 Cb -0.13 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 28.84 1xkk h GLU 906 CO -0.07 0.87 -0.09 -0.07 -1.00 0.00 0.00 179.01 178.65 1xkk h LEU 907 N 1.30 -0.22 -2.30 1.33 3.38 -0.50 0.42 115.31 118.72 1xkk h LEU 907 Ca 0.35 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 1xkk h LEU 907 Cb -0.10 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 1xkk h LEU 907 CO -0.07 0.07 -0.03 0.24 0.09 0.00 0.00 178.44 178.74 1xkk h MET 908 N -0.53 0.00 -0.66 1.13 2.86 -1.17 0.36 114.93 116.92 1xkk h MET 908 Ca -0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1xkk h MET 908 Cb 0.40 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.06 1xkk h MET 908 CO 0.04 0.03 0.00 0.25 1.06 0.00 0.00 176.91 178.30 1xkk n THR 909 N -3.86 1.25 -3.42 2.22 -2.24 -0.74 -4.71 114.28 102.79 1xkk n THR 909 Ca -0.03 -0.98 -0.25 0.00 -2.27 0.00 0.00 64.05 60.52 1xkk n THR 909 Cb 0.12 0.29 0.03 0.00 -2.10 0.00 0.00 70.33 68.67 1xkk n THR 909 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1xkk n PHE 910 N 1.27 -2.15 -0.05 4.78 3.72 0.12 -3.21 117.46 121.95 1xkk n PHE 910 Ca 0.23 0.68 0.00 0.00 -0.05 0.00 0.00 57.45 58.31 1xkk n PHE 910 Cb 0.69 -4.07 0.00 0.00 -0.94 0.00 0.00 39.48 35.16 1xkk n PHE 910 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1xkk n GLY 911 N -1.56 0.97 3.73 1.37 0.00 0.15 -3.78 105.19 106.07 1xkk n GLY 911 Ca -0.03 -0.03 -0.33 0.00 0.00 0.00 0.00 46.02 45.63 1xkk n GLY 911 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xkk s SER 912 N -2.03 4.27 -0.10 1.61 0.01 -1.20 -4.98 113.70 111.28 1xkk s SER 912 Ca 0.00 2.19 -0.21 0.00 1.31 0.00 0.00 55.95 59.24 1xkk s SER 912 Cb 0.00 -2.57 -0.04 0.00 0.21 0.00 0.00 66.02 63.62 1xkk s SER 912 CO 0.00 -2.21 0.62 -0.54 0.41 0.00 0.00 173.24 171.52 1xkk s LYS 913 N -4.15 4.38 0.31 12.44 1.02 -1.26 -4.79 119.74 127.69 1xkk s LYS 913 Ca 0.70 0.71 -0.29 0.00 0.02 0.00 0.00 55.97 57.11 1xkk s LYS 913 Cb -0.25 -3.46 -0.10 0.00 -0.52 0.00 0.00 37.83 33.50 1xkk s LYS 913 CO 0.47 0.05 1.28 -1.25 -0.92 0.00 0.00 175.35 174.98 1xkk s PRO 914 N 0.90 4.40 -1.69 -1.68 0.04 -1.26 -2.79 135.00 132.93 1xkk s PRO 914 Ca 0.33 2.14 -0.19 0.00 0.04 0.00 0.00 61.00 63.33 1xkk s PRO 914 Cb -0.17 -3.10 0.16 0.00 0.04 0.00 0.00 34.50 31.43 1xkk s PRO 914 CO 0.14 -0.14 0.77 0.66 0.04 0.00 0.00 177.00 178.48 1xkk n TYR 915 N 1.05 -1.73 -1.64 0.56 4.02 -1.26 -4.79 117.16 113.37 1xkk n TYR 915 Ca 0.01 0.78 -0.49 0.00 -0.01 0.00 0.00 57.90 58.18 1xkk n TYR 915 Cb 0.42 -2.89 -0.05 0.00 -0.02 0.00 0.00 39.34 36.80 1xkk n TYR 915 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 1xkk n ASP 916 N -2.62 2.53 0.00 7.72 2.03 -1.12 -1.90 116.55 123.20 1xkk n ASP 916 Ca 0.08 1.09 0.00 0.00 0.52 0.00 0.00 54.79 56.48 1xkk n ASP 916 Cb 0.49 -1.31 0.00 0.00 -0.72 0.00 0.00 41.12 39.57 1xkk n ASP 916 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xkk n GLY 917 N 3.22 2.86 3.70 0.27 0.00 -1.26 -5.03 105.19 108.94 1xkk n GLY 917 Ca 0.19 -0.73 -0.43 0.00 0.00 0.00 0.00 46.02 45.04 1xkk n GLY 917 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1xkk n ILE 918 N 0.00 0.13 -1.99 -0.61 5.41 -0.80 -4.93 119.36 116.57 1xkk n ILE 918 Ca 0.00 -0.02 -0.41 0.00 1.00 0.00 0.00 62.75 63.31 1xkk n ILE 918 Cb 0.00 -1.90 -0.02 0.00 -0.71 0.00 0.00 39.64 37.00 1xkk n ILE 918 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 1xkk s PRO 919 N 1.67 4.25 0.29 0.38 0.02 -1.26 -4.92 135.00 135.42 1xkk s PRO 919 Ca 0.79 2.32 0.03 0.00 0.02 0.00 0.00 61.00 64.16 1xkk s PRO 919 Cb -0.55 -3.11 0.70 0.00 0.02 0.00 0.00 34.50 31.55 1xkk s PRO 919 CO 0.36 -0.46 1.72 0.00 -0.33 0.00 0.00 177.00 178.29 1xkk h ALA 920 N 5.32 1.44 0.00 -1.55 0.00 -1.96 -0.77 119.26 121.75 1xkk h ALA 920 Ca -0.45 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 1xkk h ALA 920 Cb 1.22 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 1xkk h ALA 920 CO 0.80 -0.26 -0.02 0.66 0.00 0.00 0.00 179.25 180.43 1xkk h SER 921 N 0.48 0.00 -0.02 0.00 4.64 -2.02 -2.10 113.55 114.53 1xkk h SER 921 Ca 0.55 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.87 1xkk h SER 921 Cb 0.98 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 1xkk h SER 921 CO -0.48 0.02 -0.01 -0.62 -0.87 0.00 0.00 176.83 174.88 1xkk n GLU 922 N -3.47 2.07 -0.01 4.77 1.02 -0.30 -4.51 120.64 120.22 1xkk n GLU 922 Ca -0.03 -1.56 -0.12 0.00 -0.02 0.00 0.00 57.16 55.44 1xkk n GLU 922 Cb 0.12 -1.47 -0.06 0.00 -0.02 0.00 0.00 31.44 30.01 1xkk n GLU 922 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1xkk h ILE 923 N 3.82 1.11 -0.68 -3.67 1.08 -1.37 -2.31 117.51 115.49 1xkk h ILE 923 Ca 0.00 -0.32 0.11 0.00 -0.39 0.00 0.00 64.86 64.26 1xkk h ILE 923 Cb 0.81 1.17 -0.04 0.00 -3.07 0.00 0.00 36.82 35.69 1xkk h ILE 923 CO 0.00 0.09 0.45 0.77 -0.69 0.00 0.00 178.15 178.78 1xkk h SER 924 N 0.01 0.44 0.25 1.72 4.64 -1.79 -1.10 113.55 117.72 1xkk h SER 924 Ca 0.03 0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.35 1xkk h SER 924 Cb 0.12 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1xkk h SER 924 CO -0.00 0.26 -0.12 -1.28 -0.87 0.00 0.00 176.83 174.81 1xkk h SER 925 N 0.48 -0.29 -0.57 4.97 0.87 -1.74 -1.85 113.55 115.42 1xkk h SER 925 Ca 0.32 -0.16 -0.08 0.00 -1.23 0.00 0.00 61.79 60.64 1xkk h SER 925 Cb 0.58 0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.60 1xkk h SER 925 CO -0.10 -0.00 0.05 0.16 -0.53 0.00 0.00 176.83 176.41 1xkk h ILE 926 N -0.59 1.26 -0.93 2.23 3.07 -1.04 -2.03 117.51 119.48 1xkk h ILE 926 Ca -0.03 -1.06 0.04 0.00 1.55 0.00 0.00 64.86 65.35 1xkk h ILE 926 Cb 0.43 0.75 -0.06 0.00 -0.27 0.00 0.00 36.82 37.67 1xkk h ILE 926 CO 0.06 0.39 0.61 -0.07 -1.05 0.00 0.00 178.15 178.08 1xkk h LEU 927 N 0.93 1.00 -1.36 0.16 3.38 -1.21 0.12 115.31 118.34 1xkk h LEU 927 Ca 0.18 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.09 1xkk h LEU 927 Cb 0.48 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1xkk h LEU 927 CO 0.02 0.69 -0.27 -0.33 0.09 0.00 0.00 178.44 178.64 1xkk h GLU 928 N 1.17 0.00 0.00 1.13 5.08 -1.00 -1.88 114.58 119.07 1xkk h GLU 928 Ca 0.37 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.73 1xkk h GLU 928 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1xkk h GLU 928 CO -0.12 0.27 0.00 1.63 -1.00 0.00 0.00 179.01 179.78 1xkk n LYS 929 N -3.68 0.18 0.00 2.33 5.02 -0.04 -4.91 118.16 117.06 1xkk n LYS 929 Ca -0.01 0.22 0.00 0.00 -2.02 0.00 0.00 58.31 56.50 1xkk n LYS 929 Cb 0.38 -1.74 0.00 0.00 -0.02 0.00 0.00 35.03 33.65 1xkk n LYS 929 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xkk n GLY 930 N 0.96 0.47 3.77 0.72 0.00 -0.71 -5.08 105.19 105.32 1xkk n GLY 930 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 1xkk n GLY 930 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xkk s GLU 931 N -0.90 3.79 0.12 1.61 2.02 -0.84 -5.00 118.70 119.49 1xkk s GLU 931 Ca 0.00 1.87 -0.06 0.00 0.02 0.00 0.00 54.97 56.80 1xkk s GLU 931 Cb 0.00 -2.49 -0.02 0.00 0.10 0.00 0.00 34.13 31.72 1xkk s GLU 931 CO 0.00 -0.56 0.17 1.03 0.02 0.00 0.00 175.26 175.93 1xkk s ARG 932 N -2.58 0.96 0.45 1.61 1.81 -1.26 -4.38 118.95 115.55 1xkk s ARG 932 Ca 0.62 -1.18 -0.24 0.00 -1.72 0.00 0.00 55.73 53.21 1xkk s ARG 932 Cb -0.31 0.32 -0.09 0.00 -0.45 0.00 0.00 34.95 34.42 1xkk s ARG 932 CO 0.38 -0.31 1.13 1.28 -0.68 0.00 0.00 175.30 177.10 1xkk n LEU 933 N -0.11 3.48 -4.77 2.53 4.77 -1.26 -4.94 117.00 116.70 1xkk n LEU 933 Ca -0.10 1.03 -0.33 0.00 -0.03 0.00 0.00 56.01 56.58 1xkk n LEU 933 Cb 0.63 -1.43 0.04 0.00 -2.33 0.00 0.00 43.42 40.33 1xkk n LEU 933 CO 0.26 -1.15 0.75 -2.16 -1.33 0.00 0.00 177.39 173.76 1xkk s PRO 934 N -2.23 2.87 0.03 3.23 0.04 -1.26 -4.96 135.00 132.71 1xkk s PRO 934 Ca 0.64 1.44 -0.30 0.00 0.04 0.00 0.00 61.00 62.83 1xkk s PRO 934 Cb -0.51 -1.95 -0.08 0.00 0.04 0.00 0.00 34.50 32.00 1xkk s PRO 934 CO 0.56 -1.21 1.74 -1.14 0.04 0.00 0.00 177.00 176.99 1xkk s GLN 935 N -3.95 4.18 0.32 4.56 0.74 -1.26 -4.94 119.66 119.30 1xkk s GLN 935 Ca 0.68 2.37 -0.29 0.00 0.05 0.00 0.00 55.36 58.17 1xkk s GLN 935 Cb -0.21 -3.85 -0.11 0.00 1.10 0.00 0.00 33.01 29.94 1xkk s GLN 935 CO 0.39 -0.83 1.42 -2.14 -0.55 0.00 0.00 175.29 173.58 1xkk s PRO 936 N 3.51 4.24 0.31 1.67 0.02 -1.26 -4.91 135.00 138.58 1xkk s PRO 936 Ca 0.78 2.37 0.09 0.00 0.02 0.00 0.00 61.00 64.25 1xkk s PRO 936 Cb -0.39 -3.05 0.87 0.00 0.02 0.00 0.00 34.50 31.96 1xkk s PRO 936 CO 0.34 -0.38 1.70 -1.35 -0.33 0.00 0.00 177.00 176.98 1xkk h PRO 937 N 3.78 0.46 0.00 5.54 0.11 -1.92 -0.95 132.00 139.02 1xkk h PRO 937 Ca -0.49 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1xkk h PRO 937 Cb 1.23 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1xkk h PRO 937 CO 0.69 0.30 -0.02 0.44 -0.21 0.00 0.00 178.00 179.20 1xkk n ILE 938 N -4.97 0.03 -2.92 4.15 -5.35 -1.26 -4.88 119.36 104.16 1xkk n ILE 938 Ca 0.26 -0.02 -0.40 0.00 -0.27 0.00 0.00 62.75 62.32 1xkk n ILE 938 Cb 0.76 -0.48 -0.05 0.00 -1.74 0.00 0.00 39.64 38.14 1xkk n ILE 938 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1xkk s THR 940 N 0.11 4.66 0.49 0.00 -4.23 -1.02 -4.88 115.64 110.77 1xkk s THR 940 Ca 0.41 0.97 0.38 0.00 -1.18 0.00 0.00 61.69 62.27 1xkk s THR 940 Cb -0.21 -3.82 0.38 0.00 1.34 0.00 0.00 72.50 70.20 1xkk s THR 940 CO 0.24 -0.97 2.16 -0.29 -0.54 0.00 0.00 174.62 175.22 1xkk h ILE 941 N 0.15 0.00 -0.38 2.99 6.09 -1.97 -1.54 117.51 122.85 1xkk h ILE 941 Ca -0.45 0.00 -0.08 0.00 -1.37 0.00 0.00 64.86 62.96 1xkk h ILE 941 Cb 1.19 0.84 -0.01 0.00 0.47 0.00 0.00 36.82 39.31 1xkk h ILE 941 CO 0.62 0.00 -0.09 0.44 -3.07 0.00 0.00 178.15 176.05 1xkk h ASP 942 N 0.00 0.73 0.03 2.19 3.32 -1.92 -0.46 116.42 120.31 1xkk h ASP 942 Ca 0.00 -0.36 -0.20 0.00 0.02 0.00 0.00 57.03 56.48 1xkk h ASP 942 Cb 0.10 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.45 1xkk h ASP 942 CO 0.00 0.93 -0.74 0.58 -1.72 0.00 0.00 179.24 178.29 1xkk h VAL 943 N 0.53 1.32 -0.42 -1.35 2.07 -1.58 -3.23 116.25 113.59 1xkk h VAL 943 Ca 0.10 -2.03 -0.09 0.00 0.82 0.00 0.00 66.70 65.50 1xkk h VAL 943 Cb 0.61 2.01 -0.02 0.00 -1.52 0.00 0.00 31.29 32.37 1xkk h VAL 943 CO 0.04 0.63 -0.09 0.22 0.02 0.00 0.00 177.57 178.38 1xkk h TYR 944 N 0.43 0.81 -0.82 1.57 3.20 -1.39 -2.81 116.97 117.96 1xkk h TYR 944 Ca -0.04 -0.14 0.05 0.00 3.14 0.00 0.00 58.73 61.75 1xkk h TYR 944 Cb 1.34 -0.21 -0.05 0.00 1.54 0.00 0.00 36.73 39.35 1xkk h TYR 944 CO 0.07 0.80 0.54 0.52 -1.64 0.00 0.00 178.16 178.45 1xkk h MET 945 N 0.68 0.92 -0.67 1.82 2.86 -1.09 0.13 114.93 119.57 1xkk h MET 945 Ca 0.12 -0.06 -0.04 0.00 -2.06 0.00 0.00 59.70 57.67 1xkk h MET 945 Cb 0.56 -0.21 -0.03 0.00 0.06 0.00 0.00 31.60 31.98 1xkk h MET 945 CO 0.03 0.61 0.28 0.82 1.06 0.00 0.00 176.91 179.71 1xkk h ILE 946 N 0.94 1.24 -0.22 -1.22 2.04 -1.56 0.22 117.51 118.95 1xkk h ILE 946 Ca 0.34 -0.73 -0.02 0.00 1.00 0.00 0.00 64.86 65.46 1xkk h ILE 946 Cb 0.15 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 1xkk h ILE 946 CO -0.11 0.29 0.07 0.24 0.00 0.00 0.00 178.15 178.64 1xkk h MET 947 N 0.94 0.35 -0.53 2.37 2.86 -1.00 -1.56 114.93 118.36 1xkk h MET 947 Ca 0.22 -0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 57.78 1xkk h MET 947 Cb 0.19 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.77 1xkk h MET 947 CO -0.02 0.44 0.28 0.28 1.06 0.00 0.00 176.91 178.95 1xkk h VAL 948 N 0.19 1.18 -0.02 -2.22 2.07 -0.51 -1.76 116.25 115.18 1xkk h VAL 948 Ca 0.07 -0.48 0.00 0.00 0.82 0.00 0.00 66.70 67.11 1xkk h VAL 948 Cb 0.23 0.53 -0.00 0.00 -1.52 0.00 0.00 31.29 30.54 1xkk h VAL 948 CO -0.00 0.20 0.02 0.50 0.02 0.00 0.00 177.57 178.30 1xkk h LYS 949 N 0.71 0.02 0.00 1.57 3.64 -0.39 0.13 116.57 122.25 1xkk h LYS 949 Ca 0.19 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.53 1xkk h LYS 949 Cb 0.07 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 31.88 1xkk h LYS 949 CO -0.03 0.01 -0.16 0.00 -2.27 0.00 0.00 179.45 177.00 1xkk n TRP 951 N -3.30 3.02 -2.78 0.00 8.01 0.46 -3.87 117.44 118.98 1xkk n TRP 951 Ca 0.00 -1.87 -0.39 0.00 -1.31 0.00 0.00 57.50 53.94 1xkk n TRP 951 Cb 0.41 -0.95 -0.06 0.00 -2.01 0.00 0.00 31.31 28.70 1xkk n TRP 951 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.69 175.04 1xkk s MET 952 N -3.31 4.77 0.26 -0.99 -1.94 -1.21 -4.94 119.30 111.94 1xkk s MET 952 Ca 0.57 1.42 -0.03 0.00 -1.71 0.00 0.00 55.69 55.94 1xkk s MET 952 Cb 0.48 -3.19 0.41 0.00 2.01 0.00 0.00 34.83 34.54 1xkk s MET 952 CO 0.10 0.48 1.86 0.82 -0.01 0.00 0.00 175.02 178.28 1xkk h ILE 953 N 3.07 1.04 -2.55 2.53 1.08 -1.94 -3.36 117.51 117.37 1xkk h ILE 953 Ca -0.46 -0.37 -0.54 0.00 -0.39 0.00 0.00 64.86 63.11 1xkk h ILE 953 Cb 1.20 -0.12 -0.08 0.00 -3.07 0.00 0.00 36.82 34.75 1xkk h ILE 953 CO 0.67 0.20 1.06 -0.62 -0.69 0.00 0.00 178.15 178.77 1xkk s ASP 954 N -5.81 6.18 0.27 1.72 2.15 -1.26 -4.89 116.67 115.03 1xkk s ASP 954 Ca -0.12 -0.25 0.01 0.00 0.43 0.00 0.00 52.55 52.62 1xkk s ASP 954 Cb 0.20 -2.56 0.59 0.00 -0.30 0.00 0.00 42.92 40.85 1xkk s ASP 954 CO 0.80 -1.78 1.76 0.00 -0.17 0.00 0.00 175.17 175.79 1xkk h ALA 955 N 10.20 1.38 0.00 3.66 0.00 -1.95 -0.27 119.26 132.28 1xkk h ALA 955 Ca -0.27 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1xkk h ALA 955 Cb 1.06 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1xkk h ALA 955 CO 1.25 -0.09 0.00 -0.25 0.00 0.00 0.00 179.25 180.16 1xkk n ASP 956 N -4.85 0.68 -0.08 0.00 8.00 -1.26 -2.01 116.55 117.02 1xkk n ASP 956 Ca 0.19 0.70 0.12 0.00 0.71 0.00 0.00 54.79 56.51 1xkk n ASP 956 Cb 0.48 -0.83 0.30 0.00 -0.02 0.00 0.00 41.12 41.04 1xkk n ASP 956 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1xkk n SER 957 N -2.29 0.67 -4.81 -2.24 7.64 -0.11 -4.91 113.62 107.56 1xkk n SER 957 Ca 0.01 -0.46 -0.32 0.00 1.01 0.00 0.00 58.87 59.12 1xkk n SER 957 Cb 0.19 0.21 0.04 0.00 -1.01 0.00 0.00 64.21 63.63 1xkk n SER 957 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1xkk s ARG 958 N -2.83 3.01 0.88 1.43 0.52 -0.85 -4.98 118.95 116.14 1xkk s ARG 958 Ca 0.16 1.05 -0.11 0.00 -0.52 0.00 0.00 55.73 56.31 1xkk s ARG 958 Cb 0.18 -2.00 0.12 0.00 0.52 0.00 0.00 34.95 33.78 1xkk s ARG 958 CO 0.64 -1.04 1.11 -2.14 0.02 0.00 0.00 175.30 173.88 1xkk s PRO 959 N -4.71 1.31 0.21 3.54 0.02 -1.26 -5.03 135.00 129.08 1xkk s PRO 959 Ca 0.60 1.25 0.01 0.00 0.02 0.00 0.00 61.00 62.88 1xkk s PRO 959 Cb -0.15 -1.78 -0.04 0.00 0.02 0.00 0.00 34.50 32.55 1xkk s PRO 959 CO 0.49 -2.33 0.37 0.15 -0.33 0.00 0.00 177.00 175.36 1xkk s LYS 960 N -4.77 3.48 0.34 5.54 -0.14 -1.26 -4.95 119.74 117.99 1xkk s LYS 960 Ca 0.64 -0.47 0.02 0.00 -1.36 0.00 0.00 55.97 54.80 1xkk s LYS 960 Cb -0.20 -2.86 0.61 0.00 -1.68 0.00 0.00 37.83 33.69 1xkk s LYS 960 CO 0.58 0.41 2.00 0.74 -0.76 0.00 0.00 175.35 178.31 1xkk h PHE 961 N 1.78 0.85 -0.51 3.18 0.05 -1.93 -0.33 116.94 120.03 1xkk h PHE 961 Ca -0.49 0.02 -0.01 0.00 3.82 0.00 0.00 57.97 61.31 1xkk h PHE 961 Cb 1.20 -0.29 -0.03 0.00 2.00 0.00 0.00 35.95 38.84 1xkk h PHE 961 CO 0.53 0.52 0.26 0.00 -0.18 0.00 0.00 178.31 179.44 1xkk h ARG 962 N 0.90 0.71 0.05 1.51 3.08 -1.94 -0.32 114.38 118.37 1xkk h ARG 962 Ca 0.26 -0.08 -0.26 0.00 0.07 0.00 0.00 59.98 59.97 1xkk h ARG 962 Cb -0.07 -0.14 0.01 0.00 0.08 0.00 0.00 29.97 29.85 1xkk h ARG 962 CO -0.06 0.54 -1.08 0.93 -1.07 0.00 0.00 179.97 179.23 1xkk h GLU 963 N 0.71 0.46 -0.80 0.04 5.08 -1.66 -3.07 114.58 115.34 1xkk h GLU 963 Ca 0.18 -0.56 -0.03 0.00 -1.00 0.00 0.00 59.36 57.95 1xkk h GLU 963 Cb 0.06 0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.45 1xkk h GLU 963 CO -0.03 1.21 0.39 -0.07 -1.00 0.00 0.00 179.01 179.51 1xkk h LEU 964 N 0.22 1.04 -0.13 1.33 3.38 -0.43 -0.63 115.31 120.09 1xkk h LEU 964 Ca -0.12 -0.13 0.04 0.00 0.09 0.00 0.00 57.88 57.76 1xkk h LEU 964 Cb 1.74 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 42.18 1xkk h LEU 964 CO 0.19 0.87 -0.12 0.40 0.09 0.00 0.00 178.44 179.87 1xkk h ILE 965 N 1.12 0.66 -0.36 1.22 2.04 -1.08 0.24 117.51 121.35 1xkk h ILE 965 Ca 0.27 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.13 1xkk h ILE 965 Cb 0.10 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 36.82 1xkk h ILE 965 CO -0.04 0.00 0.21 0.40 0.00 0.00 0.00 178.15 178.72 1xkk h ILE 966 N -0.15 1.14 0.01 -0.67 2.04 -1.36 0.42 117.51 118.94 1xkk h ILE 966 Ca 0.09 -0.34 -0.00 0.00 1.00 0.00 0.00 64.86 65.61 1xkk h ILE 966 Cb 0.27 0.70 0.00 0.00 -0.74 0.00 0.00 36.82 37.06 1xkk h ILE 966 CO -0.22 0.14 -0.01 -0.08 0.00 0.00 0.00 178.15 177.99 1xkk h GLU 967 N 0.46 -0.01 -0.14 2.37 4.57 -0.82 -0.62 114.58 120.40 1xkk h GLU 967 Ca 0.13 0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 58.23 1xkk h GLU 967 Cb 0.04 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.62 1xkk h GLU 967 CO -0.02 0.23 -0.27 0.74 -1.18 0.00 0.00 179.01 178.50 1xkk h PHE 968 N -0.25 0.28 -0.49 0.92 0.04 -0.95 -1.09 116.94 115.39 1xkk h PHE 968 Ca -0.00 -0.05 -0.07 0.00 2.80 0.00 0.00 57.97 60.65 1xkk h PHE 968 Cb 0.25 -0.07 -0.02 0.00 2.20 0.00 0.00 35.95 38.31 1xkk h PHE 968 CO 0.01 0.51 0.04 0.77 -0.60 0.00 0.00 178.31 179.03 1xkk h SER 969 N 0.23 0.82 -0.27 2.17 0.02 -0.75 0.14 113.55 115.91 1xkk h SER 969 Ca 0.03 -0.29 -0.00 0.00 -0.84 0.00 0.00 61.79 60.70 1xkk h SER 969 Cb 0.61 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.91 1xkk h SER 969 CO 0.04 0.90 0.17 0.50 -1.14 0.00 0.00 176.83 177.30 1xkk h LYS 970 N 0.71 0.36 -0.12 3.45 3.64 -0.74 -1.83 116.57 122.04 1xkk h LYS 970 Ca 0.14 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.48 1xkk h LYS 970 Cb 0.46 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 1xkk h LYS 970 CO 0.02 0.27 -0.01 0.52 -2.27 0.00 0.00 179.45 177.98 1xkk h MET 971 N 0.34 0.17 0.00 1.90 2.86 -0.90 -1.32 114.93 117.99 1xkk h MET 971 Ca 0.10 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 1xkk h MET 971 Cb -0.00 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.63 1xkk h MET 971 CO -0.02 0.20 0.00 0.00 1.06 0.00 0.00 176.91 178.15 1xkk n ALA 972 N -2.51 1.66 0.12 6.32 0.00 0.46 -2.11 120.51 124.45 1xkk n ALA 972 Ca -0.01 0.02 0.01 0.00 0.00 0.00 0.00 53.44 53.46 1xkk n ALA 972 Cb 0.15 -1.31 -0.01 0.00 0.00 0.00 0.00 19.45 18.28 1xkk n ALA 972 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xkk h ARG 973 N 0.00 0.00 -2.00 0.00 3.08 -1.03 -3.37 114.38 111.06 1xkk h ARG 973 Ca 0.00 0.00 -0.50 0.00 0.07 0.00 0.00 59.98 59.55 1xkk h ARG 973 Cb 0.31 0.00 -0.40 0.00 0.08 0.00 0.00 29.97 29.96 1xkk h ARG 973 CO 0.00 0.57 -1.17 -3.47 -1.07 0.00 0.00 179.97 174.84 1xkk n ASP 974 N -3.23 0.68 -0.27 7.04 -0.08 -1.01 -5.02 116.55 114.67 1xkk n ASP 974 Ca 0.01 -2.93 0.08 0.00 -1.51 0.00 0.00 54.79 50.45 1xkk n ASP 974 Cb 0.78 -0.63 0.22 0.00 2.34 0.00 0.00 41.12 43.83 1xkk n ASP 974 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1xkk h PRO 975 N 3.28 0.23 0.00 -0.67 0.13 -1.59 -1.86 132.00 131.52 1xkk h PRO 975 Ca 0.09 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 1xkk h PRO 975 Cb 0.94 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.02 1xkk h PRO 975 CO 0.49 0.15 0.00 1.04 -0.23 0.00 0.00 178.00 179.46 1xkk n GLN 976 N -5.19 0.03 0.06 0.86 6.02 -1.26 -1.21 117.38 116.69 1xkk n GLN 976 Ca 0.17 0.36 -0.03 0.00 -0.01 0.00 0.00 57.00 57.49 1xkk n GLN 976 Cb 0.54 -1.57 -0.07 0.00 1.02 0.00 0.00 30.24 30.16 1xkk n GLN 976 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 1xkk h ARG 977 N 0.00 0.00 0.00 -1.09 2.43 -1.69 -3.38 114.38 110.64 1xkk h ARG 977 Ca 0.00 0.00 -0.21 0.00 -0.81 0.00 0.00 59.98 58.96 1xkk h ARG 977 Cb 0.18 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.69 1xkk h ARG 977 CO 0.00 0.58 -2.06 0.66 -1.51 0.00 0.00 179.97 177.64 1xkk n TYR 978 N -3.14 0.00 -5.12 2.20 4.02 -0.72 -4.93 117.16 109.48 1xkk n TYR 978 Ca -0.05 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.54 1xkk n TYR 978 Cb 0.88 -0.71 -0.17 0.00 -0.02 0.00 0.00 39.34 39.32 1xkk n TYR 978 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1xkk s LEU 979 N -4.95 2.01 -0.44 7.72 1.43 -0.35 -2.44 118.68 121.66 1xkk s LEU 979 Ca -0.08 -0.48 -0.05 0.00 -1.03 0.00 0.00 54.13 52.50 1xkk s LEU 979 Cb 0.07 -1.26 0.12 0.00 0.03 0.00 0.00 46.19 45.14 1xkk s LEU 979 CO 0.71 0.19 0.26 -0.69 0.23 0.00 0.00 176.35 177.06 1xkk s VAL 980 N 0.08 3.59 -0.03 -1.59 1.01 0.40 -4.33 120.40 119.53 1xkk s VAL 980 Ca -0.09 -2.05 0.06 0.00 0.00 0.00 0.00 61.98 59.91 1xkk s VAL 980 Cb -0.15 -3.42 -0.01 0.00 0.00 0.00 0.00 36.38 32.80 1xkk s VAL 980 CO 0.05 -0.73 -0.22 -0.63 0.00 0.00 0.00 175.10 173.57 1xkk s ILE 981 N 1.11 1.77 0.19 2.22 1.01 -1.26 -4.52 121.20 121.72 1xkk s ILE 981 Ca 0.08 -0.94 -0.30 0.00 0.00 0.00 0.00 60.65 59.49 1xkk s ILE 981 Cb -0.23 -1.49 -0.08 0.00 0.01 0.00 0.00 42.46 40.67 1xkk s ILE 981 CO -0.03 0.50 1.21 -1.10 0.00 0.00 0.00 174.94 175.52 1xkk s GLN 982 N -0.35 4.48 -1.30 2.79 -0.21 -1.26 -3.07 119.66 120.74 1xkk s GLN 982 Ca 0.04 1.90 0.00 0.00 0.02 0.00 0.00 55.36 57.32 1xkk s GLN 982 Cb -0.10 -3.23 0.00 0.00 1.00 0.00 0.00 33.01 30.68 1xkk s GLN 982 CO 0.01 -0.11 0.00 0.41 -2.12 0.00 0.00 175.29 173.48 1xkk n GLY 983 N 2.17 1.22 0.23 3.09 0.00 -1.26 -4.91 105.19 105.74 1xkk n GLY 983 Ca 0.04 -0.44 -0.01 0.00 0.00 0.00 0.00 46.02 45.61 1xkk n GLY 983 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1xkk h ASP 984 N 0.00 -0.49 -0.05 1.61 1.82 -1.94 -2.36 116.42 115.02 1xkk h ASP 984 Ca -0.26 0.17 0.03 0.00 -0.39 0.00 0.00 57.03 56.59 1xkk h ASP 984 Cb 0.84 0.35 -0.04 0.00 0.68 0.00 0.00 39.33 41.16 1xkk h ASP 984 CO 0.37 -0.18 -0.16 -0.33 -1.61 0.00 0.00 179.24 177.33 1xkk h GLU 985 N 0.03 -0.23 0.00 0.28 4.39 -1.90 -1.80 114.58 115.34 1xkk h GLU 985 Ca 0.30 0.02 0.00 0.00 0.34 0.00 0.00 59.36 60.01 1xkk h GLU 985 Cb 0.46 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.17 1xkk h GLU 985 CO -0.60 -0.16 0.01 2.89 -1.16 0.00 0.00 179.01 180.00 1xkk n ARG 986 N -5.30 0.00 -3.53 2.33 -4.01 -0.90 -5.17 116.66 100.08 1xkk n ARG 986 Ca -0.04 0.40 -0.29 0.00 -1.04 0.00 0.00 57.85 56.88 1xkk n ARG 986 Cb 0.22 -1.51 -0.03 0.00 -3.04 0.00 0.00 32.46 28.09 1xkk n ARG 986 CO 0.00 0.00 0.00 -1.64 -3.04 0.00 0.00 177.63 172.95 1xkk s MET 987 N -2.79 3.59 0.00 2.89 1.00 -0.68 -5.16 119.30 118.15 1xkk s MET 987 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 55.69 55.56 1xkk s MET 987 Cb 0.00 -2.75 0.00 0.00 0.00 0.00 0.00 34.83 32.08 1xkk s MET 987 CO 0.00 0.33 0.00 -1.13 0.00 0.00 0.00 175.02 174.22 1xkk n SER 995 N -0.64 0.00 0.07 3.03 3.41 -1.26 -4.89 113.62 113.34 1xkk n SER 995 Ca -0.03 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.50 1xkk n SER 995 Cb 0.53 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.37 1xkk n SER 995 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 1xkk h ASN 996 N 0.00 0.06 -0.24 4.04 -1.24 -2.05 -3.14 115.58 113.01 1xkk h ASN 996 Ca 0.00 -0.06 0.01 0.00 0.71 0.00 0.00 56.30 56.96 1xkk h ASN 996 Cb 0.00 -0.02 -0.02 0.00 0.73 0.00 0.00 38.32 39.01 1xkk h ASN 996 CO 0.00 1.03 0.13 0.15 -1.29 0.00 0.00 177.43 177.46 1xkk h PHE 997 N 0.01 0.25 0.00 0.67 3.04 -2.03 -2.17 116.94 116.71 1xkk h PHE 997 Ca -0.03 0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.93 1xkk h PHE 997 Cb 1.77 -0.08 0.00 0.00 2.56 0.00 0.00 35.95 40.20 1xkk h PHE 997 CO 0.01 0.15 0.00 1.88 -2.02 0.00 0.00 178.31 178.32 1xkk h TYR 998 N 0.28 0.00 0.10 0.41 -1.99 -1.91 -2.02 116.97 111.83 1xkk h TYR 998 Ca 0.10 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.82 1xkk h TYR 998 Cb 0.01 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.74 1xkk h TYR 998 CO -0.08 0.00 -0.05 0.00 -0.00 0.00 0.00 178.16 178.03 1xkk h ARG 999 N 0.00 -0.13 0.00 4.88 3.08 -1.42 0.35 114.38 121.14 1xkk h ARG 999 Ca 0.00 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1xkk h ARG 999 Cb 0.79 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.87 1xkk h ARG 999 CO 0.00 0.35 0.00 0.00 -1.07 0.00 0.00 179.97 179.25 1xkk h ALA 1000N 0.09 1.00 0.07 0.04 0.00 -1.41 0.99 119.26 120.05 1xkk h ALA 1000Ca -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1xkk h ALA 1000Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1xkk h ALA 1000CO 0.02 0.00 -0.03 1.25 0.00 0.00 0.00 179.25 180.49 1xkk h LEU 1001N 0.00 -0.08 0.00 0.00 5.85 -1.16 -3.42 115.31 116.50 1xkk h LEU 1001Ca 0.00 0.00 -0.29 0.00 0.84 0.00 0.00 57.88 58.43 1xkk h LEU 1001Cb 0.39 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.39 1xkk h LEU 1001CO 0.00 0.35 -1.73 0.23 -0.34 0.00 0.00 178.44 176.95 1xkk n MET 1002N -4.54 0.63 -1.74 1.25 2.81 0.09 -4.92 117.12 110.71 1xkk n MET 1002Ca -0.01 0.28 -0.42 0.00 -1.81 0.00 0.00 57.70 55.74 1xkk n MET 1002Cb 0.04 -1.78 -0.03 0.00 -0.71 0.00 0.00 33.22 30.73 1xkk n MET 1002CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1xkk s ASP 1003N -6.05 6.42 -0.16 7.83 1.01 0.34 -5.06 116.67 121.00 1xkk s ASP 1003Ca -0.05 2.78 -0.13 0.00 0.71 0.00 0.00 52.55 55.86 1xkk s ASP 1003Cb 0.08 -2.58 -0.08 0.00 1.01 0.00 0.00 42.92 41.35 1xkk s ASP 1003CO 0.82 -0.98 -0.01 1.05 0.21 0.00 0.00 175.17 176.27 1xkk h GLU 1004N 7.90 0.00 0.00 8.23 4.11 -1.91 -3.46 114.58 129.45 1xkk h GLU 1004Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.98 1xkk h GLU 1004Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1xkk h GLU 1004CO 0.95 0.33 0.00 0.28 0.07 0.00 0.00 179.01 180.64 1xkk n VAL 1010N -4.58 0.00 -4.64 -1.06 0.31 -1.26 -5.16 118.33 101.94 1xkk n VAL 1010Ca -0.14 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 63.96 1xkk n VAL 1010Cb 0.37 0.00 -0.15 0.00 -0.91 0.00 0.00 33.84 33.14 1xkk n VAL 1010CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 1xkk s VAL 1011N 0.00 1.11 0.52 2.52 -7.23 -0.99 -5.00 120.40 111.34 1xkk s VAL 1011Ca 0.00 -0.57 -0.22 0.00 -1.81 0.00 0.00 61.98 59.38 1xkk s VAL 1011Cb 0.00 -0.95 -0.06 0.00 0.56 0.00 0.00 36.38 35.93 1xkk s VAL 1011CO 0.00 0.32 1.17 0.47 -0.31 0.00 0.00 175.10 176.76 1xkk n ASP 1012N 2.97 1.87 0.24 4.85 9.92 -1.26 -4.30 116.55 130.84 1xkk n ASP 1012Ca -0.16 0.96 0.17 0.00 -0.53 0.00 0.00 54.79 55.23 1xkk n ASP 1012Cb 0.54 -1.47 0.89 0.00 -0.64 0.00 0.00 41.12 40.43 1xkk n ASP 1012CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1xkk h ALA 1013N 1.27 1.64 0.77 2.24 0.00 -1.95 -1.70 119.26 121.52 1xkk h ALA 1013Ca -0.49 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.38 1xkk h ALA 1013Cb 1.33 0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.13 1xkk h ALA 1013CO 0.56 -0.24 -0.37 -0.44 0.00 0.00 0.00 179.25 178.76 1xkk h ASP 1014N 0.00 -0.87 0.14 0.00 5.19 -1.96 -0.84 116.42 118.07 1xkk h ASP 1014Ca 0.06 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.48 1xkk h ASP 1014Cb 0.40 0.23 -0.01 0.00 0.18 0.00 0.00 39.33 40.13 1xkk h ASP 1014CO -0.00 -0.54 -0.12 -0.33 -3.12 0.00 0.00 179.24 175.14 1xkk h GLU 1015N -1.19 -0.26 -0.81 3.56 3.07 -1.69 -2.53 114.58 114.73 1xkk h GLU 1015Ca -0.11 0.02 0.09 0.00 -0.50 0.00 0.00 59.36 58.86 1xkk h GLU 1015Cb 0.81 0.06 -0.07 0.00 -0.84 0.00 0.00 28.75 28.71 1xkk h GLU 1015CO 0.17 -0.17 0.46 -0.92 -1.40 0.00 0.00 179.01 177.15 1xkk h TYR 1016N -0.27 0.84 -0.24 4.33 5.03 -1.43 -1.50 116.97 123.74 1xkk h TYR 1016Ca -0.00 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.34 1xkk h TYR 1016Cb 0.25 -0.26 0.00 0.00 1.55 0.00 0.00 36.73 38.27 1xkk h TYR 1016CO -0.11 0.36 0.00 1.28 -1.32 0.00 0.00 178.16 178.37 1xkk n LEU 1017N -4.73 1.49 0.00 2.82 7.99 -0.32 -5.10 117.00 119.14 1xkk n LEU 1017Ca 0.13 -0.75 0.03 0.00 -0.01 0.00 0.00 56.01 55.41 1xkk n LEU 1017Cb 0.25 -0.22 0.20 0.00 -0.11 0.00 0.00 43.42 43.54 1xkk n LEU 1017CO 0.28 0.33 0.43 2.30 -1.51 0.00 0.00 177.39 179.22