#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bbw s GLN 684 N 0.00 2.92 0.19 0.00 -0.21 -1.26 -4.92 119.66 116.37 3bbw s GLN 684 Ca 0.00 -1.04 -0.17 0.00 0.02 0.00 0.00 55.36 54.17 3bbw s GLN 684 Cb 0.00 -3.87 -0.08 0.00 1.00 0.00 0.00 33.01 30.06 3bbw s GLN 684 CO 0.00 -0.72 0.64 -1.17 -2.12 0.00 0.00 175.29 171.92 3bbw s LEU 685 N 1.63 4.33 -0.18 2.90 2.96 -1.26 -5.01 118.68 124.06 3bbw s LEU 685 Ca 0.04 1.25 -0.08 0.00 -0.22 0.00 0.00 54.13 55.12 3bbw s LEU 685 Cb -0.19 -3.44 -0.04 0.00 0.50 0.00 0.00 46.19 43.02 3bbw s LEU 685 CO 0.09 0.06 0.09 -0.13 -1.32 0.00 0.00 176.35 175.14 3bbw s ARG 686 N -1.99 3.95 -0.15 1.98 0.52 -1.24 -5.03 118.95 116.99 3bbw s ARG 686 Ca 0.41 -0.29 -0.16 0.00 -0.52 0.00 0.00 55.73 55.17 3bbw s ARG 686 Cb -0.16 -3.26 -0.04 0.00 0.52 0.00 0.00 34.95 32.01 3bbw s ARG 686 CO 0.20 0.35 0.39 0.42 0.02 0.00 0.00 175.30 176.69 3bbw s ILE 687 N 0.17 5.24 -0.12 1.52 -1.09 -1.26 -0.34 121.20 125.32 3bbw s ILE 687 Ca 0.06 0.76 0.03 0.00 -2.23 0.00 0.00 60.65 59.27 3bbw s ILE 687 Cb -0.12 -3.73 0.00 0.00 -1.58 0.00 0.00 42.46 37.03 3bbw s ILE 687 CO -0.00 0.33 -0.22 -0.76 -1.23 0.00 0.00 174.94 173.07 3bbw s LEU 688 N 0.70 2.18 0.76 2.97 1.43 0.84 -4.90 118.68 122.65 3bbw s LEU 688 Ca 0.21 -0.55 -0.15 0.00 -1.03 0.00 0.00 54.13 52.61 3bbw s LEU 688 Cb -0.14 -1.45 -0.00 0.00 0.03 0.00 0.00 46.19 44.63 3bbw s LEU 688 CO 0.07 0.13 0.73 1.17 0.23 0.00 0.00 176.35 178.68 3bbw n LYS 689 N 3.72 0.29 0.17 1.70 4.81 -1.26 -4.17 118.16 123.42 3bbw n LYS 689 Ca -0.19 0.15 0.13 0.00 -0.87 0.00 0.00 58.31 57.53 3bbw n LYS 689 Cb 0.52 -2.02 0.54 0.00 0.02 0.00 0.00 35.03 34.10 3bbw n LYS 689 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 3bbw h GLU 690 N -0.52 0.00 0.00 1.64 4.81 -1.98 -3.12 114.58 115.41 3bbw h GLU 690 Ca -0.46 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 3bbw h GLU 690 Cb 1.33 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.71 3bbw h GLU 690 CO 0.43 0.00 0.00 0.25 -0.73 0.00 0.00 179.01 178.96 3bbw n THR 691 N -2.45 0.00 1.02 0.32 -2.24 -1.26 -4.07 114.28 105.60 3bbw n THR 691 Ca 0.02 -0.49 0.10 0.00 -2.27 0.00 0.00 64.05 61.41 3bbw n THR 691 Cb 0.25 1.02 0.52 0.00 -2.10 0.00 0.00 70.33 70.02 3bbw n THR 691 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3bbw n GLU 692 N -0.10 0.38 -4.56 -0.78 1.02 -1.18 -4.71 120.64 110.71 3bbw n GLU 692 Ca 0.00 0.07 -0.27 0.00 -0.02 0.00 0.00 57.16 56.94 3bbw n GLU 692 Cb 0.00 -1.50 -0.17 0.00 -0.02 0.00 0.00 31.44 29.76 3bbw n GLU 692 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 3bbw s LEU 693 N -2.42 1.69 -0.08 -4.62 2.96 -1.24 -2.00 118.68 112.97 3bbw s LEU 693 Ca 0.22 -0.38 0.01 0.00 -0.22 0.00 0.00 54.13 53.76 3bbw s LEU 693 Cb 0.13 -1.00 0.02 0.00 0.50 0.00 0.00 46.19 45.84 3bbw s LEU 693 CO 0.28 0.03 -0.11 -0.54 -1.32 0.00 0.00 176.35 174.69 3bbw s LYS 694 N 0.83 1.71 0.32 1.98 1.02 -0.81 -4.94 119.74 119.84 3bbw s LYS 694 Ca -0.11 -0.39 -0.23 0.00 0.02 0.00 0.00 55.97 55.27 3bbw s LYS 694 Cb -0.15 -1.51 -0.10 0.00 -0.52 0.00 0.00 37.83 35.55 3bbw s LYS 694 CO 0.01 -0.06 0.89 1.03 -0.92 0.00 0.00 175.35 176.30 3bbw s ARG 695 N 0.99 4.41 0.00 1.68 0.52 -1.26 -1.23 118.95 124.06 3bbw s ARG 695 Ca -0.08 1.15 0.00 0.00 -0.52 0.00 0.00 55.73 56.28 3bbw s ARG 695 Cb -0.15 -2.67 0.00 0.00 0.52 0.00 0.00 34.95 32.65 3bbw s ARG 695 CO -0.00 0.24 0.00 0.28 0.02 0.00 0.00 175.30 175.83 3bbw n VAL 696 N 0.30 0.00 -4.38 3.52 0.31 -0.62 -4.93 118.33 112.53 3bbw n VAL 696 Ca 0.02 0.19 -0.21 0.00 -0.01 0.00 0.00 64.34 64.33 3bbw n VAL 696 Cb 0.51 -1.14 -0.09 0.00 -0.91 0.00 0.00 33.84 32.22 3bbw n VAL 696 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3bbw s LYS 697 N -0.48 1.75 -0.24 5.55 1.02 -1.21 -5.00 119.74 121.11 3bbw s LYS 697 Ca 0.00 -2.03 -0.12 0.00 0.02 0.00 0.00 55.97 53.84 3bbw s LYS 697 Cb 0.00 -0.15 -0.05 0.00 -0.52 0.00 0.00 37.83 37.11 3bbw s LYS 697 CO 0.00 -0.51 0.25 0.08 -0.92 0.00 0.00 175.35 174.25 3bbw s VAL 698 N -3.44 5.29 -0.14 3.17 1.01 -1.26 -0.75 120.40 124.27 3bbw s VAL 698 Ca 0.33 0.35 0.02 0.00 0.00 0.00 0.00 61.98 62.68 3bbw s VAL 698 Cb 0.03 -3.59 -0.23 0.00 0.00 0.00 0.00 36.38 32.59 3bbw s VAL 698 CO 0.19 0.28 0.27 0.18 0.00 0.00 0.00 175.10 176.02 3bbw n LEU 699 N 4.64 2.09 0.00 3.92 4.77 -1.05 -4.91 117.00 126.46 3bbw n LEU 699 Ca -0.12 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 3bbw n LEU 699 Cb 0.52 -0.65 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 3bbw n LEU 699 CO 0.36 0.74 0.00 0.61 -1.33 0.00 0.00 177.39 177.77 3bbw n GLY 700 N 1.94 1.27 3.32 -0.72 0.00 -1.24 -5.05 105.19 104.71 3bbw n GLY 700 Ca -0.32 0.07 -0.33 0.00 0.00 0.00 0.00 46.02 45.43 3bbw n GLY 700 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3bbw s SER 701 N 0.00 3.92 0.00 1.61 1.04 -1.26 -0.44 113.70 118.58 3bbw s SER 701 Ca 0.00 -0.39 0.00 0.00 0.48 0.00 0.00 55.95 56.04 3bbw s SER 701 Cb 0.00 -1.62 0.00 0.00 0.10 0.00 0.00 66.02 64.50 3bbw s SER 701 CO 0.00 0.10 0.00 0.61 0.98 0.00 0.00 173.24 174.93 3bbw n GLY 702 N 3.97 2.80 0.26 7.32 0.00 -0.97 -5.00 105.19 113.56 3bbw n GLY 702 Ca -0.19 -1.99 -0.07 0.00 0.00 0.00 0.00 46.02 43.77 3bbw n GLY 702 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bbw h ALA 703 N -0.66 0.91 0.00 4.61 0.00 -2.03 -3.37 119.26 118.73 3bbw h ALA 703 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3bbw h ALA 703 Cb 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.64 3bbw h ALA 703 CO 0.00 0.62 -0.10 0.74 0.00 0.00 0.00 179.25 180.50 3bbw h PHE 704 N 0.64 0.00 0.00 0.00 -1.00 -1.96 -3.49 116.94 111.13 3bbw h PHE 704 Ca 0.09 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.87 3bbw h PHE 704 Cb 0.72 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.28 3bbw h PHE 704 CO 0.04 0.00 0.00 0.41 -1.61 0.00 0.00 178.31 177.15 3bbw n GLY 705 N 1.79 5.34 2.89 -1.45 0.00 -1.26 -3.20 105.19 109.30 3bbw n GLY 705 Ca -0.01 -0.90 -0.15 0.00 0.00 0.00 0.00 46.02 44.96 3bbw n GLY 705 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3bbw s THR 706 N 1.34 -0.12 0.08 2.61 2.01 -0.92 -2.30 115.64 118.33 3bbw s THR 706 Ca 0.00 0.24 -0.26 0.00 0.31 0.00 0.00 61.69 61.99 3bbw s THR 706 Cb 0.00 -0.26 -0.06 0.00 0.01 0.00 0.00 72.50 72.19 3bbw s THR 706 CO 0.00 0.10 0.80 -0.69 -0.69 0.00 0.00 174.62 174.14 3bbw s VAL 707 N 1.57 4.63 -0.04 3.82 1.01 0.42 -2.90 120.40 128.90 3bbw s VAL 707 Ca -0.05 1.71 0.05 0.00 0.00 0.00 0.00 61.98 63.69 3bbw s VAL 707 Cb -0.12 -4.15 -0.01 0.00 0.00 0.00 0.00 36.38 32.11 3bbw s VAL 707 CO -0.06 0.39 -0.19 -0.31 0.00 0.00 0.00 175.10 174.93 3bbw s TYR 708 N -0.25 1.85 0.33 5.22 1.51 -0.13 -2.51 117.35 123.36 3bbw s TYR 708 Ca 0.39 -0.51 -0.29 0.00 -1.01 0.00 0.00 57.07 55.65 3bbw s TYR 708 Cb -0.21 -1.23 -0.10 0.00 -0.11 0.00 0.00 41.96 40.30 3bbw s TYR 708 CO 0.25 -0.16 1.32 0.21 -1.11 0.00 0.00 175.55 176.06 3bbw s LYS 709 N -0.06 4.35 0.30 -0.62 2.20 0.07 -1.50 119.74 124.47 3bbw s LYS 709 Ca -0.02 2.23 -0.10 0.00 -0.36 0.00 0.00 55.97 57.72 3bbw s LYS 709 Cb -0.11 -3.07 0.01 0.00 -1.51 0.00 0.00 37.83 33.14 3bbw s LYS 709 CO 0.02 -0.21 0.53 0.20 -0.36 0.00 0.00 175.35 175.53 3bbw s GLY 710 N -0.42 0.83 0.04 5.54 0.00 -0.17 -1.59 107.32 111.54 3bbw s GLY 710 Ca 0.50 -1.07 0.04 0.00 0.00 0.00 0.00 44.72 44.19 3bbw s GLY 710 CO 0.52 -0.70 -0.12 -0.26 0.00 0.00 0.00 173.10 172.55 3bbw s ILE 711 N -3.42 0.95 -0.11 0.90 -4.36 -0.36 -1.17 121.20 113.63 3bbw s ILE 711 Ca 0.24 -0.98 0.01 0.00 -0.26 0.00 0.00 60.65 59.65 3bbw s ILE 711 Cb -0.01 -0.89 0.02 0.00 1.25 0.00 0.00 42.46 42.83 3bbw s ILE 711 CO 0.13 -0.08 -0.10 0.86 0.24 0.00 0.00 174.94 175.99 3bbw s TRP 712 N -0.93 1.61 -0.47 1.37 -0.00 0.71 -1.93 118.94 119.31 3bbw s TRP 712 Ca -0.01 -0.77 -0.01 0.00 -0.00 0.00 0.00 56.10 55.31 3bbw s TRP 712 Cb -0.08 -1.26 0.13 0.00 -0.00 0.00 0.00 33.47 32.26 3bbw s TRP 712 CO 0.01 -0.47 0.25 0.08 -0.00 0.00 0.00 176.95 176.82 3bbw s VAL 713 N 1.35 3.14 0.79 5.86 1.01 -0.85 -2.15 120.40 129.56 3bbw s VAL 713 Ca -0.01 -2.53 -0.11 0.00 0.00 0.00 0.00 61.98 59.32 3bbw s VAL 713 Cb -0.14 -3.14 0.07 0.00 0.00 0.00 0.00 36.38 33.17 3bbw s VAL 713 CO -0.05 -0.74 1.12 -2.16 0.00 0.00 0.00 175.10 173.27 3bbw s PRO 714 N 0.57 1.96 0.11 2.72 0.04 -1.26 -4.72 135.00 134.42 3bbw s PRO 714 Ca 0.12 1.38 -0.33 0.00 0.04 0.00 0.00 61.00 62.21 3bbw s PRO 714 Cb -0.22 -1.85 -0.18 0.00 0.04 0.00 0.00 34.50 32.29 3bbw s PRO 714 CO -0.04 -1.90 0.79 0.39 0.04 0.00 0.00 177.00 176.28 3bbw n GLU 715 N -3.49 0.08 0.00 4.56 1.02 -1.26 -4.54 120.64 117.01 3bbw n GLU 715 Ca 0.11 0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.27 3bbw n GLU 715 Cb 0.52 -1.27 0.00 0.00 -0.02 0.00 0.00 31.44 30.67 3bbw n GLU 715 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3bbw n GLY 716 N 1.78 -0.59 2.62 0.62 0.00 -1.26 -4.79 105.19 103.57 3bbw n GLY 716 Ca 0.19 -1.93 -0.10 0.00 0.00 0.00 0.00 46.02 44.18 3bbw n GLY 716 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3bbw n GLU 717 N 0.00 1.13 -0.06 1.61 4.07 -1.26 -4.99 120.64 121.14 3bbw n GLU 717 Ca 0.00 -2.88 -0.08 0.00 -0.06 0.00 0.00 57.16 54.14 3bbw n GLU 717 Cb 0.00 -1.01 -0.05 0.00 -0.06 0.00 0.00 31.44 30.32 3bbw n GLU 717 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 3bbw n THR 718 N -0.13 0.65 -4.67 6.31 -2.24 -1.26 -5.05 114.28 107.89 3bbw n THR 718 Ca 0.08 -0.25 -0.25 0.00 -2.27 0.00 0.00 64.05 61.36 3bbw n THR 718 Cb 0.80 -0.90 -0.14 0.00 -2.10 0.00 0.00 70.33 67.99 3bbw n THR 718 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3bbw s VAL 719 N -2.23 1.57 -0.23 2.28 1.01 -1.26 -5.12 120.40 116.42 3bbw s VAL 719 Ca -0.15 -1.09 -0.03 0.00 0.00 0.00 0.00 61.98 60.71 3bbw s VAL 719 Cb 0.04 -1.35 0.07 0.00 0.00 0.00 0.00 36.38 35.14 3bbw s VAL 719 CO 0.26 0.23 0.08 -0.54 0.00 0.00 0.00 175.10 175.13 3bbw s LYS 720 N -1.02 0.45 -0.31 2.72 1.02 -1.26 -4.31 119.74 117.03 3bbw s LYS 720 Ca 0.07 -0.48 -0.18 0.00 0.02 0.00 0.00 55.97 55.40 3bbw s LYS 720 Cb -0.08 -1.84 -0.02 0.00 -0.52 0.00 0.00 37.83 35.37 3bbw s LYS 720 CO 0.01 -0.78 0.50 0.42 -0.92 0.00 0.00 175.35 174.58 3bbw s ILE 721 N 1.92 5.05 0.00 2.17 1.01 -0.91 -4.87 121.20 125.58 3bbw s ILE 721 Ca 0.03 0.56 0.00 0.00 0.00 0.00 0.00 60.65 61.24 3bbw s ILE 721 Cb -0.17 -3.88 0.00 0.00 0.01 0.00 0.00 42.46 38.42 3bbw s ILE 721 CO -0.17 -0.06 0.00 -2.65 0.00 0.00 0.00 174.94 172.06 3bbw n PRO 722 N 5.62 0.00 -3.94 2.79 -0.02 -1.26 -0.21 135.00 137.99 3bbw n PRO 722 Ca -0.05 0.00 -0.08 0.00 -2.02 0.00 0.00 63.50 61.35 3bbw n PRO 722 Cb 0.49 0.00 -0.08 0.00 -0.02 0.00 0.00 33.50 33.89 3bbw n PRO 722 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3bbw s VAL 723 N 0.00 0.17 -0.17 -1.45 0.11 -0.32 -3.63 120.40 115.11 3bbw s VAL 723 Ca 0.00 -1.36 -0.01 0.00 -2.93 0.00 0.00 61.98 57.68 3bbw s VAL 723 Cb 0.00 -1.34 -0.01 0.00 -1.53 0.00 0.00 36.38 33.50 3bbw s VAL 723 CO 0.00 -0.75 -0.11 0.00 -3.33 0.00 0.00 175.10 170.91 3bbw s ALA 724 N -3.73 2.65 -0.14 1.54 0.00 0.63 -1.00 121.76 121.71 3bbw s ALA 724 Ca 0.04 -1.03 -0.02 0.00 0.00 0.00 0.00 51.96 50.96 3bbw s ALA 724 Cb 0.05 -1.38 -0.02 0.00 0.00 0.00 0.00 23.12 21.77 3bbw s ALA 724 CO -0.10 -0.06 -0.09 0.42 0.00 0.00 0.00 175.76 175.94 3bbw s ILE 725 N 0.85 3.46 -0.48 0.00 1.01 -0.56 -0.71 121.20 124.77 3bbw s ILE 725 Ca -0.03 -0.52 0.03 0.00 0.00 0.00 0.00 60.65 60.13 3bbw s ILE 725 Cb -0.15 -2.48 0.14 0.00 0.01 0.00 0.00 42.46 39.98 3bbw s ILE 725 CO 0.00 0.52 0.26 -0.75 0.00 0.00 0.00 174.94 174.97 3bbw s LYS 726 N 0.28 1.58 -0.21 2.79 2.20 -0.43 -0.95 119.74 125.00 3bbw s LYS 726 Ca -0.07 -2.28 -0.24 0.00 -0.36 0.00 0.00 55.97 53.03 3bbw s LYS 726 Cb -0.15 -2.72 -0.01 0.00 -1.51 0.00 0.00 37.83 33.44 3bbw s LYS 726 CO 0.04 -1.15 0.77 0.42 -0.36 0.00 0.00 175.35 175.07 3bbw s ILE 727 N 0.05 4.90 -0.27 5.43 1.01 -1.14 -1.98 121.20 129.20 3bbw s ILE 727 Ca 0.18 1.48 -0.13 0.00 0.00 0.00 0.00 60.65 62.17 3bbw s ILE 727 Cb -0.24 -4.07 -0.04 0.00 0.01 0.00 0.00 42.46 38.12 3bbw s ILE 727 CO -0.01 0.01 0.29 -0.76 0.00 0.00 0.00 174.94 174.47 3bbw s LEU 728 N 2.35 4.04 -0.30 2.97 1.43 -1.06 -2.15 118.68 125.96 3bbw s LEU 728 Ca 0.34 0.17 -0.09 0.00 -1.03 0.00 0.00 54.13 53.53 3bbw s LEU 728 Cb -0.16 -2.29 -0.00 0.00 0.03 0.00 0.00 46.19 43.77 3bbw s LEU 728 CO 0.10 -0.11 0.12 0.21 0.23 0.00 0.00 176.35 176.91 3bbw s ASN 729 N 1.60 5.39 0.00 2.29 2.47 -1.19 -4.68 114.94 120.82 3bbw s ASN 729 Ca 0.12 -0.57 0.00 0.00 0.42 0.00 0.00 52.86 52.82 3bbw s ASN 729 Cb -0.16 -1.96 0.00 0.00 -1.45 0.00 0.00 41.25 37.69 3bbw s ASN 729 CO 0.10 -0.19 0.00 -0.62 -3.72 0.00 0.00 177.10 172.67 3bbw n GLU 730 N 4.94 0.00 0.00 0.43 4.71 -1.26 -4.89 120.64 124.57 3bbw n GLU 730 Ca -0.14 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.01 3bbw n GLU 730 Cb 0.49 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.92 3bbw n GLU 730 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3bbw n GLY 733 N 3.32 0.00 3.75 0.62 0.00 -1.26 -5.28 105.19 106.34 3bbw n GLY 733 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 3bbw n GLY 733 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3bbw s PRO 734 N 0.00 4.17 0.36 1.61 0.04 -1.26 -5.06 135.00 134.86 3bbw s PRO 734 Ca 0.00 0.19 0.05 0.00 0.04 0.00 0.00 61.00 61.28 3bbw s PRO 734 Cb 0.00 -3.38 -0.01 0.00 0.04 0.00 0.00 34.50 31.15 3bbw s PRO 734 CO 0.00 0.32 0.51 0.15 0.04 0.00 0.00 177.00 178.02 3bbw s LYS 735 N 0.19 3.11 -0.60 4.56 1.02 -1.26 -4.71 119.74 122.05 3bbw s LYS 735 Ca 0.19 -0.89 -0.28 0.00 0.02 0.00 0.00 55.97 55.02 3bbw s LYS 735 Cb -0.14 -2.76 -0.27 0.00 -0.52 0.00 0.00 37.83 34.14 3bbw s LYS 735 CO 0.06 -0.01 1.85 0.00 -0.92 0.00 0.00 175.35 176.33 3bbw n ALA 736 N -1.74 1.07 -2.66 5.17 0.00 -1.26 -4.59 120.51 116.50 3bbw n ALA 736 Ca -0.00 -2.66 -0.21 0.00 0.00 0.00 0.00 53.44 50.57 3bbw n ALA 736 Cb 0.58 -3.57 -0.03 0.00 0.00 0.00 0.00 19.45 16.43 3bbw n ALA 736 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3bbw s ASN 737 N 7.18 5.72 0.18 0.00 -0.87 -1.26 -4.97 114.94 120.92 3bbw s ASN 737 Ca 0.72 -0.25 -0.11 0.00 -1.57 0.00 0.00 52.86 51.65 3bbw s ASN 737 Cb 0.07 -1.32 0.10 0.00 -0.02 0.00 0.00 41.25 40.08 3bbw s ASN 737 CO 0.24 -0.24 1.76 0.58 -2.57 0.00 0.00 177.10 176.87 3bbw h VAL 738 N 1.20 1.22 -0.97 1.60 2.07 -1.98 0.20 116.25 119.60 3bbw h VAL 738 Ca -0.47 -0.65 0.15 0.00 0.82 0.00 0.00 66.70 66.55 3bbw h VAL 738 Cb 1.25 0.46 -0.09 0.00 -1.52 0.00 0.00 31.29 31.40 3bbw h VAL 738 CO 0.58 0.26 0.61 -0.33 0.02 0.00 0.00 177.57 178.71 3bbw h GLU 739 N 0.89 0.79 0.32 1.57 5.08 -1.94 0.26 114.58 121.56 3bbw h GLU 739 Ca 0.22 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.52 3bbw h GLU 739 Cb 0.14 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.22 3bbw h GLU 739 CO -0.03 0.52 -0.16 0.35 -1.00 0.00 0.00 179.01 178.70 3bbw h PHE 740 N 0.81 -0.40 -0.90 4.33 3.57 -1.60 -3.06 116.94 119.69 3bbw h PHE 740 Ca 0.50 -0.01 0.18 0.00 3.53 0.00 0.00 57.97 62.18 3bbw h PHE 740 Cb 0.71 0.13 -0.07 0.00 2.79 0.00 0.00 35.95 39.51 3bbw h PHE 740 CO -0.00 -0.07 0.59 0.52 -2.23 0.00 0.00 178.31 177.11 3bbw h MET 741 N -0.79 0.49 0.01 1.11 2.86 0.75 -1.34 114.93 118.03 3bbw h MET 741 Ca -0.04 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 3bbw h MET 741 Cb 0.51 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.05 3bbw h MET 741 CO 0.07 0.33 -0.04 -0.44 1.06 0.00 0.00 176.91 177.89 3bbw h ASP 742 N 0.51 -0.10 0.50 1.22 5.19 -0.53 -1.87 116.42 121.33 3bbw h ASP 742 Ca 0.47 0.01 -0.14 0.00 -0.62 0.00 0.00 57.03 56.75 3bbw h ASP 742 Cb 1.02 0.04 -0.02 0.00 0.18 0.00 0.00 39.33 40.55 3bbw h ASP 742 CO -0.20 -0.05 -0.62 -0.33 -3.12 0.00 0.00 179.24 174.91 3bbw h GLU 743 N -0.07 0.12 0.12 3.56 4.39 -1.20 -2.27 114.58 119.24 3bbw h GLU 743 Ca 0.01 -0.09 -0.01 0.00 0.34 0.00 0.00 59.36 59.62 3bbw h GLU 743 Cb 0.08 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 3bbw h GLU 743 CO -0.03 0.70 -0.06 0.00 -1.16 0.00 0.00 179.01 178.47 3bbw h ALA 744 N 1.28 -0.16 -0.47 3.43 0.00 -1.29 -1.82 119.26 120.22 3bbw h ALA 744 Ca -0.01 -0.11 0.09 0.00 0.00 0.00 0.00 54.91 54.89 3bbw h ALA 744 Cb 1.12 0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.89 3bbw h ALA 744 CO 0.09 -0.51 0.00 -0.07 0.00 0.00 0.00 179.25 178.76 3bbw h LEU 745 N -0.33 -0.19 -0.41 0.00 3.38 -1.14 0.59 115.31 117.21 3bbw h LEU 745 Ca -0.02 0.11 0.08 0.00 0.09 0.00 0.00 57.88 58.14 3bbw h LEU 745 Cb 0.27 0.20 -0.07 0.00 0.09 0.00 0.00 40.66 41.14 3bbw h LEU 745 CO 0.03 -0.06 -0.03 0.40 0.09 0.00 0.00 178.44 178.86 3bbw h ILE 746 N 0.12 0.65 -0.14 1.22 2.04 -1.38 0.14 117.51 120.16 3bbw h ILE 746 Ca 0.24 -0.02 -0.08 0.00 1.00 0.00 0.00 64.86 66.00 3bbw h ILE 746 Cb 0.35 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 3bbw h ILE 746 CO -0.39 0.01 -0.26 0.24 0.00 0.00 0.00 178.15 177.75 3bbw h MET 747 N 0.07 0.25 -0.07 2.37 2.86 0.20 -0.50 114.93 120.12 3bbw h MET 747 Ca 0.20 -0.09 -0.07 0.00 -2.06 0.00 0.00 59.70 57.69 3bbw h MET 747 Cb 0.30 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.93 3bbw h MET 747 CO -0.37 0.50 -0.28 0.00 1.06 0.00 0.00 176.91 177.82 3bbw h ALA 748 N 1.51 1.40 0.00 6.32 0.00 0.88 -2.44 119.26 126.93 3bbw h ALA 748 Ca 0.04 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 3bbw h ALA 748 Cb 0.58 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 3bbw h ALA 748 CO 0.04 0.43 -0.08 0.66 0.00 0.00 0.00 179.25 180.30 3bbw h SER 749 N 0.11 0.00 -2.59 0.00 4.64 0.88 -3.45 113.55 113.13 3bbw h SER 749 Ca 0.02 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.81 3bbw h SER 749 Cb 0.57 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.69 3bbw h SER 749 CO 0.04 0.08 1.07 -0.04 -0.87 0.00 0.00 176.83 177.11 3bbw s MET 750 N -3.47 4.16 -0.28 4.77 -1.94 -0.85 -4.95 119.30 116.74 3bbw s MET 750 Ca 0.03 2.49 -0.01 0.00 -1.71 0.00 0.00 55.69 56.48 3bbw s MET 750 Cb 0.08 -3.61 0.13 0.00 2.01 0.00 0.00 34.83 33.43 3bbw s MET 750 CO 0.62 -0.80 0.27 0.34 -0.01 0.00 0.00 175.02 175.43 3bbw s ASP 751 N 2.64 1.79 0.04 3.03 2.15 -1.26 -4.62 116.67 120.44 3bbw s ASP 751 Ca 0.78 -0.71 0.04 0.00 0.43 0.00 0.00 52.55 53.09 3bbw s ASP 751 Cb -0.43 0.42 -0.02 0.00 -0.30 0.00 0.00 42.92 42.58 3bbw s ASP 751 CO 0.35 -0.38 -0.11 -2.28 -0.17 0.00 0.00 175.17 172.57 3bbw s HIS 752 N 2.33 0.96 -0.90 -5.34 2.46 -1.26 -4.99 115.29 108.55 3bbw s HIS 752 Ca 0.09 -0.40 -0.28 0.00 0.47 0.00 0.00 55.06 54.94 3bbw s HIS 752 Cb -0.14 -0.56 -0.20 0.00 -0.13 0.00 0.00 32.58 31.54 3bbw s HIS 752 CO -0.30 -0.00 2.59 -0.35 -2.47 0.00 0.00 174.74 174.21 3bbw n PRO 753 N 1.71 0.21 0.00 2.88 -0.04 -1.26 -3.37 135.00 135.13 3bbw n PRO 753 Ca -0.20 -0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.24 3bbw n PRO 753 Cb 0.55 -1.87 0.00 0.00 -0.04 0.00 0.00 33.50 32.14 3bbw n PRO 753 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3bbw n HIS 754 N 11.29 0.00 -3.90 0.54 8.25 -1.26 -4.60 115.22 125.53 3bbw n HIS 754 Ca 0.60 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.94 3bbw n HIS 754 Cb 0.15 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.12 3bbw n HIS 754 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3bbw s LEU 755 N 0.00 2.02 -0.43 2.41 1.43 -1.22 -2.26 118.68 120.64 3bbw s LEU 755 Ca 0.00 -0.04 -0.26 0.00 -1.03 0.00 0.00 54.13 52.80 3bbw s LEU 755 Cb 0.00 -0.01 0.02 0.00 0.03 0.00 0.00 46.19 46.23 3bbw s LEU 755 CO 0.00 -0.02 0.96 -0.69 0.23 0.00 0.00 176.35 176.84 3bbw s VAL 756 N -0.11 4.47 0.14 -1.59 1.01 0.87 -4.27 120.40 120.92 3bbw s VAL 756 Ca -0.01 1.01 -0.30 0.00 0.00 0.00 0.00 61.98 62.67 3bbw s VAL 756 Cb -0.01 -4.42 -0.07 0.00 0.00 0.00 0.00 36.38 31.88 3bbw s VAL 756 CO -0.00 -0.74 1.20 -0.60 0.00 0.00 0.00 175.10 174.95 3bbw s ARG 757 N 3.76 4.47 -0.03 2.72 3.52 -1.26 -4.92 118.95 127.21 3bbw s ARG 757 Ca 0.39 1.83 -0.30 0.00 -0.13 0.00 0.00 55.73 57.52 3bbw s ARG 757 Cb -0.10 -3.28 -0.05 0.00 -1.56 0.00 0.00 34.95 29.95 3bbw s ARG 757 CO 0.24 -0.15 1.50 -1.17 -0.81 0.00 0.00 175.30 174.91 3bbw s LEU 758 N 0.29 4.31 -0.14 -0.88 2.96 -1.26 -4.47 118.68 119.48 3bbw s LEU 758 Ca 0.55 2.16 -0.17 0.00 -0.22 0.00 0.00 54.13 56.45 3bbw s LEU 758 Cb -0.31 -3.55 -0.24 0.00 0.50 0.00 0.00 46.19 42.59 3bbw s LEU 758 CO 0.33 -0.81 0.42 -0.07 -1.32 0.00 0.00 176.35 174.90 3bbw h LEU 759 N 9.13 0.23 -8.06 -0.68 3.38 -0.34 -3.44 115.31 115.53 3bbw h LEU 759 Ca -0.38 -0.76 0.01 0.00 0.09 0.00 0.00 57.88 56.84 3bbw h LEU 759 Cb 1.17 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.81 3bbw h LEU 759 CO 0.93 1.58 0.18 -0.83 0.09 0.00 0.00 178.44 180.39 3bbw s GLY 760 N -4.98 0.20 -0.02 0.83 0.00 -0.64 -3.64 107.32 99.07 3bbw s GLY 760 Ca -0.23 -0.57 0.01 0.00 0.00 0.00 0.00 44.72 43.92 3bbw s GLY 760 CO 0.70 -0.27 -0.02 0.14 0.00 0.00 0.00 173.10 173.66 3bbw s VAL 761 N -3.41 0.24 0.20 1.40 1.01 0.54 -0.22 120.40 120.17 3bbw s VAL 761 Ca 0.15 -0.04 0.08 0.00 0.00 0.00 0.00 61.98 62.17 3bbw s VAL 761 Cb -0.05 -0.27 -0.04 0.00 0.00 0.00 0.00 36.38 36.02 3bbw s VAL 761 CO 0.09 0.12 -0.02 0.00 0.00 0.00 0.00 175.10 175.29 3bbw n LEU 763 N -0.31 0.21 0.23 0.00 4.77 -1.25 -0.58 117.00 120.08 3bbw n LEU 763 Ca -0.09 -0.39 -0.14 0.00 -0.03 0.00 0.00 56.01 55.35 3bbw n LEU 763 Cb 0.56 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.57 3bbw n LEU 763 CO 0.38 0.05 0.55 0.28 -1.33 0.00 0.00 177.39 177.32 3bbw h SER 764 N 0.00 -0.50 0.05 -1.43 0.02 -1.96 -3.29 113.55 106.43 3bbw h SER 764 Ca 0.00 -0.09 -0.13 0.00 -0.84 0.00 0.00 61.79 60.72 3bbw h SER 764 Cb 0.08 0.13 -0.00 0.00 0.14 0.00 0.00 62.40 62.74 3bbw h SER 764 CO 0.00 -0.17 -0.68 1.55 -1.14 0.00 0.00 176.83 176.39 3bbw h PRO 765 N -0.84 0.10 0.00 3.45 0.14 -1.97 -3.49 132.00 129.38 3bbw h PRO 765 Ca -0.06 -0.17 0.00 0.00 0.14 0.00 0.00 66.00 65.91 3bbw h PRO 765 Cb 0.56 0.06 0.00 0.00 0.14 0.00 0.00 31.00 31.76 3bbw h PRO 765 CO 0.10 1.08 0.00 0.25 0.14 0.00 0.00 178.00 179.57 3bbw n THR 766 N -4.35 0.00 -2.31 1.56 -2.24 -1.24 -5.16 114.28 100.54 3bbw n THR 766 Ca -0.18 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.18 3bbw n THR 766 Cb 0.66 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.86 3bbw n THR 766 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3bbw s ILE 767 N -2.65 3.74 -0.10 2.28 1.09 -1.26 -3.74 121.20 120.56 3bbw s ILE 767 Ca 0.00 1.24 -0.03 0.00 -1.10 0.00 0.00 60.65 60.76 3bbw s ILE 767 Cb 0.00 -3.80 0.05 0.00 -1.06 0.00 0.00 42.46 37.65 3bbw s ILE 767 CO 0.00 0.09 0.13 -1.10 -0.10 0.00 0.00 174.94 173.96 3bbw s GLN 768 N 1.16 0.02 -0.20 2.79 -0.21 0.26 -2.57 119.66 120.91 3bbw s GLN 768 Ca 0.61 0.36 -0.18 0.00 0.02 0.00 0.00 55.36 56.17 3bbw s GLN 768 Cb -0.32 -0.72 -0.03 0.00 1.00 0.00 0.00 33.01 32.93 3bbw s GLN 768 CO 0.29 -0.42 0.48 -0.51 -2.12 0.00 0.00 175.29 173.02 3bbw s LEU 769 N 2.24 4.15 -0.19 2.90 1.43 -0.84 -1.26 118.68 127.11 3bbw s LEU 769 Ca 0.04 0.63 -0.03 0.00 -1.03 0.00 0.00 54.13 53.74 3bbw s LEU 769 Cb -0.13 -2.65 -0.01 0.00 0.03 0.00 0.00 46.19 43.43 3bbw s LEU 769 CO -0.06 -0.15 -0.07 -0.69 0.23 0.00 0.00 176.35 175.61 3bbw s VAL 770 N 1.52 3.27 -0.02 -1.59 1.01 0.69 -1.32 120.40 123.96 3bbw s VAL 770 Ca 0.23 -0.55 0.04 0.00 0.00 0.00 0.00 61.98 61.70 3bbw s VAL 770 Cb -0.15 -2.45 -0.01 0.00 0.00 0.00 0.00 36.38 33.77 3bbw s VAL 770 CO 0.09 0.46 -0.13 -0.89 0.00 0.00 0.00 175.10 174.63 3bbw s THR 771 N 1.09 1.05 0.29 3.92 2.01 0.11 0.49 115.64 124.60 3bbw s THR 771 Ca 0.01 -0.54 -0.30 0.00 0.31 0.00 0.00 61.69 61.16 3bbw s THR 771 Cb -0.15 -0.89 -0.12 0.00 0.01 0.00 0.00 72.50 71.36 3bbw s THR 771 CO -0.01 0.30 1.56 1.67 -0.69 0.00 0.00 174.62 177.45 3bbw n GLN 772 N 2.93 2.58 -2.16 4.92 7.27 -1.26 0.23 117.38 131.89 3bbw n GLN 772 Ca -0.16 0.92 -0.42 0.00 0.07 0.00 0.00 57.00 57.41 3bbw n GLN 772 Cb 0.55 -2.68 -0.03 0.00 2.41 0.00 0.00 30.24 30.49 3bbw n GLN 772 CO 0.00 0.00 0.00 -1.17 0.07 0.00 0.00 177.06 175.96 3bbw s LEU 773 N -0.40 4.35 -0.44 1.69 0.20 -1.24 -4.59 118.68 118.25 3bbw s LEU 773 Ca 0.64 2.27 -0.18 0.00 0.69 0.00 0.00 54.13 57.55 3bbw s LEU 773 Cb -0.52 -3.57 0.03 0.00 -0.43 0.00 0.00 46.19 41.70 3bbw s LEU 773 CO 0.49 -0.70 0.47 -0.04 -0.29 0.00 0.00 176.35 176.28 3bbw s MET 774 N 1.76 3.09 0.22 1.98 -1.94 -1.26 -4.96 119.30 118.19 3bbw s MET 774 Ca 0.65 -0.82 -0.04 0.00 -1.71 0.00 0.00 55.69 53.77 3bbw s MET 774 Cb -0.35 -4.00 0.21 0.00 2.01 0.00 0.00 34.83 32.70 3bbw s MET 774 CO 0.29 -0.93 1.65 -1.00 -0.01 0.00 0.00 175.02 175.02 3bbw h PRO 775 N 8.78 0.76 -0.00 2.03 0.13 -1.87 -1.42 132.00 140.41 3bbw h PRO 775 Ca -0.27 -0.29 0.00 0.00 -0.87 0.00 0.00 66.00 64.57 3bbw h PRO 775 Cb 1.11 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.20 3bbw h PRO 775 CO 0.83 0.90 -0.01 0.72 -0.23 0.00 0.00 178.00 180.22 3bbw n HIS 776 N -4.12 0.00 -4.88 1.56 8.25 -1.25 -5.02 115.22 109.75 3bbw n HIS 776 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3bbw n HIS 776 Cb 0.42 -0.13 0.00 0.00 1.12 0.00 0.00 29.99 31.39 3bbw n HIS 776 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3bbw n GLY 777 N 1.15 -0.03 3.77 -1.41 0.00 -0.54 -4.78 105.19 103.34 3bbw n GLY 777 Ca 0.19 -0.95 -0.39 0.00 0.00 0.00 0.00 46.02 44.87 3bbw n GLY 777 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bbw h LEU 779 N 3.31 0.44 -0.48 0.00 5.85 -0.74 -1.58 115.31 122.12 3bbw h LEU 779 Ca -0.48 0.09 0.08 0.00 0.84 0.00 0.00 57.88 58.41 3bbw h LEU 779 Cb 1.22 0.03 -0.10 0.00 0.37 0.00 0.00 40.66 42.18 3bbw h LEU 779 CO 0.65 0.19 -0.42 0.25 -0.34 0.00 0.00 178.44 178.77 3bbw h LEU 780 N 0.57 -1.44 -1.44 2.25 5.85 -1.27 0.40 115.31 120.23 3bbw h LEU 780 Ca 0.43 0.23 -0.02 0.00 0.84 0.00 0.00 57.88 59.35 3bbw h LEU 780 Cb 0.60 0.64 -0.02 0.00 0.37 0.00 0.00 40.66 42.25 3bbw h LEU 780 CO -0.36 -0.35 0.11 -0.08 -0.34 0.00 0.00 178.44 177.42 3bbw h GLU 781 N -0.28 0.48 -0.22 1.25 4.57 -1.74 -3.14 114.58 115.50 3bbw h GLU 781 Ca 0.16 -0.06 -0.02 0.00 -1.18 0.00 0.00 59.36 58.25 3bbw h GLU 781 Cb 0.57 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.06 3bbw h GLU 781 CO -0.62 0.42 0.04 -0.92 -1.18 0.00 0.00 179.01 176.75 3bbw h TYR 782 N 0.47 0.38 0.00 0.92 3.20 0.70 -2.60 116.97 120.04 3bbw h TYR 782 Ca 0.12 -0.05 -0.03 0.00 3.14 0.00 0.00 58.73 61.91 3bbw h TYR 782 Cb 0.15 -0.11 -0.00 0.00 1.54 0.00 0.00 36.73 38.31 3bbw h TYR 782 CO 0.01 0.48 -0.12 -0.39 -1.64 0.00 0.00 178.16 176.49 3bbw h VAL 783 N 0.17 0.33 0.10 1.81 -1.51 -1.03 -2.44 116.25 113.68 3bbw h VAL 783 Ca 0.07 -0.82 -0.01 0.00 -1.23 0.00 0.00 66.70 64.71 3bbw h VAL 783 Cb 0.30 1.63 0.00 0.00 -2.13 0.00 0.00 31.29 31.09 3bbw h VAL 783 CO 0.00 0.12 -0.05 -0.74 -1.23 0.00 0.00 177.57 175.67 3bbw h HIS 784 N 0.00 -0.13 0.00 5.19 -0.00 -1.36 -2.81 115.15 116.04 3bbw h HIS 784 Ca -0.00 -0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 60.34 3bbw h HIS 784 Cb 0.62 0.04 -0.00 0.00 -0.00 0.00 0.00 27.41 28.07 3bbw h HIS 784 CO 0.00 0.37 -0.12 1.49 -0.00 0.00 0.00 177.93 179.67 3bbw h GLU 785 N -0.76 0.00 -0.04 5.26 4.81 -1.14 -2.05 114.58 120.66 3bbw h GLU 785 Ca -0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3bbw h GLU 785 Cb 0.56 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.94 3bbw h GLU 785 CO 0.02 0.12 0.00 0.72 -0.73 0.00 0.00 179.01 179.15 3bbw n HIS 786 N -3.80 0.10 -0.05 0.92 8.25 -0.95 -4.83 115.22 114.86 3bbw n HIS 786 Ca -0.02 -0.76 0.04 0.00 -0.26 0.00 0.00 57.72 56.71 3bbw n HIS 786 Cb 0.22 -0.12 0.07 0.00 1.12 0.00 0.00 29.99 31.29 3bbw n HIS 786 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 3bbw n LYS 787 N -0.88 -0.01 0.02 -0.41 4.81 -0.77 0.42 118.16 121.34 3bbw n LYS 787 Ca 0.10 0.23 0.12 0.00 -0.87 0.00 0.00 58.31 57.88 3bbw n LYS 787 Cb 0.50 -0.38 0.14 0.00 0.02 0.00 0.00 35.03 35.31 3bbw n LYS 787 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 3bbw n ASP 788 N -3.67 0.61 -0.69 3.14 3.85 -1.26 -4.07 116.55 114.45 3bbw n ASP 788 Ca 0.05 -0.17 0.07 0.00 -0.71 0.00 0.00 54.79 54.02 3bbw n ASP 788 Cb 0.16 0.42 0.19 0.00 -1.35 0.00 0.00 41.12 40.54 3bbw n ASP 788 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 3bbw n ASN 789 N -1.80 3.23 -4.39 -1.12 3.02 0.17 -4.92 115.26 109.44 3bbw n ASN 789 Ca 0.04 -2.40 -0.43 0.00 -0.03 0.00 0.00 54.58 51.76 3bbw n ASN 789 Cb 0.39 -0.34 -0.09 0.00 -0.61 0.00 0.00 39.78 39.13 3bbw n ASN 789 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3bbw s ILE 790 N -1.71 4.98 1.06 2.41 1.01 -1.19 -5.08 121.20 122.68 3bbw s ILE 790 Ca 0.29 -0.95 -0.18 0.00 0.00 0.00 0.00 60.65 59.81 3bbw s ILE 790 Cb 0.20 -3.89 0.26 0.00 0.01 0.00 0.00 42.46 39.04 3bbw s ILE 790 CO 0.12 -0.43 1.01 0.61 0.00 0.00 0.00 174.94 176.26 3bbw n GLY 791 N 5.11 -2.53 0.25 6.18 0.00 -1.26 -4.98 105.19 107.97 3bbw n GLY 791 Ca -0.12 -1.53 -0.11 0.00 0.00 0.00 0.00 46.02 44.27 3bbw n GLY 791 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3bbw h SER 792 N -2.38 0.84 -0.17 1.61 4.64 -1.94 -3.31 113.55 112.84 3bbw h SER 792 Ca -0.37 -0.38 0.05 0.00 -0.47 0.00 0.00 61.79 60.62 3bbw h SER 792 Cb 1.11 -0.24 -0.07 0.00 -0.31 0.00 0.00 62.40 62.90 3bbw h SER 792 CO 0.25 1.13 -0.34 -0.61 -0.87 0.00 0.00 176.83 176.39 3bbw h GLN 793 N 0.64 -0.38 -0.86 4.77 5.75 -1.93 -1.58 115.11 121.53 3bbw h GLN 793 Ca 0.05 0.03 0.02 0.00 -0.15 0.00 0.00 58.65 58.59 3bbw h GLN 793 Cb 0.95 0.09 -0.05 0.00 1.07 0.00 0.00 27.48 29.54 3bbw h GLN 793 CO 0.09 -0.25 0.57 -0.07 -2.65 0.00 0.00 178.83 176.51 3bbw h LEU 794 N -0.39 0.97 0.04 -2.39 3.38 -1.96 0.18 115.31 115.13 3bbw h LEU 794 Ca 0.10 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.06 3bbw h LEU 794 Cb 0.56 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 3bbw h LEU 794 CO -0.38 0.69 -0.06 -0.07 0.09 0.00 0.00 178.44 178.70 3bbw h LEU 795 N 1.14 -0.17 -0.48 1.67 3.38 -1.40 0.64 115.31 120.09 3bbw h LEU 795 Ca 0.32 0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.25 3bbw h LEU 795 Cb -0.09 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 3bbw h LEU 795 CO -0.08 -0.10 0.02 -0.07 0.09 0.00 0.00 178.44 178.30 3bbw h LEU 796 N -0.13 0.81 -0.50 1.67 3.38 -1.28 -2.87 115.31 116.39 3bbw h LEU 796 Ca 0.01 -0.29 0.09 0.00 0.09 0.00 0.00 57.88 57.78 3bbw h LEU 796 Cb 0.14 -0.22 -0.08 0.00 0.09 0.00 0.00 40.66 40.60 3bbw h LEU 796 CO -0.04 0.90 0.05 0.78 0.09 0.00 0.00 178.44 180.23 3bbw h ASN 797 N 0.69 -0.10 -0.80 -0.43 4.21 -0.20 0.12 115.58 119.07 3bbw h ASN 797 Ca 0.14 0.10 0.07 0.00 1.21 0.00 0.00 56.30 57.83 3bbw h ASN 797 Cb 0.47 0.16 -0.06 0.00 -1.12 0.00 0.00 38.32 37.77 3bbw h ASN 797 CO 0.02 -0.02 0.47 -0.50 -1.29 0.00 0.00 177.43 176.11 3bbw h TRP 798 N 0.18 0.86 0.00 1.19 6.55 0.33 -1.75 115.95 123.31 3bbw h TRP 798 Ca 0.25 0.03 0.02 0.00 0.95 0.00 0.00 58.89 60.14 3bbw h TRP 798 Cb 0.36 -0.27 -0.05 0.00 -0.86 0.00 0.00 29.16 28.34 3bbw h TRP 798 CO -0.27 0.40 -0.51 0.00 -1.05 0.00 0.00 178.44 177.01 3bbw h VAL 800 N -0.64 0.57 -0.19 0.00 2.07 -0.67 -0.87 116.25 116.52 3bbw h VAL 800 Ca 0.01 -0.08 -0.00 0.00 0.82 0.00 0.00 66.70 67.44 3bbw h VAL 800 Cb 0.69 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 3bbw h VAL 800 CO -0.34 0.04 0.11 1.56 0.02 0.00 0.00 177.57 178.96 3bbw h GLN 801 N 0.24 0.26 -0.32 1.57 4.20 -0.61 0.22 115.11 120.67 3bbw h GLN 801 Ca 0.35 -0.03 -0.07 0.00 0.06 0.00 0.00 58.65 58.96 3bbw h GLN 801 Cb 0.56 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.28 3bbw h GLN 801 CO -0.46 0.24 -0.10 0.82 -0.67 0.00 0.00 178.83 178.66 3bbw h ILE 802 N 0.21 1.23 0.56 2.54 2.04 -0.97 0.17 117.51 123.30 3bbw h ILE 802 Ca 0.07 -1.01 -0.02 0.00 1.00 0.00 0.00 64.86 64.90 3bbw h ILE 802 Cb 0.06 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 3bbw h ILE 802 CO -0.01 0.33 -0.41 0.00 0.00 0.00 0.00 178.15 178.06 3bbw h ALA 803 N 1.39 -0.99 -0.94 1.87 0.00 0.30 -0.13 119.26 120.76 3bbw h ALA 803 Ca 0.09 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.83 3bbw h ALA 803 Cb 0.48 0.55 -0.05 0.00 0.00 0.00 0.00 17.79 18.77 3bbw h ALA 803 CO 0.03 -1.08 0.62 0.87 0.00 0.00 0.00 179.25 179.69 3bbw h LYS 804 N -0.95 1.23 -0.65 0.00 1.57 -0.39 -0.05 116.57 117.33 3bbw h LYS 804 Ca -0.06 -0.07 0.12 0.00 -1.87 0.00 0.00 60.65 58.77 3bbw h LYS 804 Cb 0.79 -0.28 -0.12 0.00 0.08 0.00 0.00 32.23 32.70 3bbw h LYS 804 CO 0.02 0.81 -0.25 0.78 -0.57 0.00 0.00 179.45 180.25 3bbw h GLY 805 N 1.26 0.22 1.47 3.86 0.00 -0.31 -1.09 103.07 108.48 3bbw h GLY 805 Ca 0.35 0.32 -0.14 0.00 0.00 0.00 0.00 47.33 47.86 3bbw h GLY 805 CO -0.08 -0.24 -0.45 -0.33 0.00 0.00 0.00 176.54 175.44 3bbw h MET 806 N -0.08 0.58 -0.74 4.80 2.86 0.50 -3.08 114.93 119.77 3bbw h MET 806 Ca 0.29 -0.32 0.12 0.00 -2.06 0.00 0.00 59.70 57.73 3bbw h MET 806 Cb 0.53 0.02 -0.13 0.00 0.06 0.00 0.00 31.60 32.08 3bbw h MET 806 CO -0.70 0.91 -0.38 0.52 1.06 0.00 0.00 176.91 178.32 3bbw h MET 807 N 0.47 -0.11 0.23 1.72 2.07 0.24 0.25 114.93 119.80 3bbw h MET 807 Ca 0.03 0.01 0.01 0.00 -2.07 0.00 0.00 59.70 57.68 3bbw h MET 807 Cb 0.96 0.03 -0.04 0.00 -1.87 0.00 0.00 31.60 30.68 3bbw h MET 807 CO 0.09 -0.07 -0.39 -0.92 1.07 0.00 0.00 176.91 176.68 3bbw h TYR 808 N -0.12 -1.08 -0.51 -0.22 3.20 -1.39 0.58 116.97 117.43 3bbw h TYR 808 Ca 0.26 0.02 0.10 0.00 3.14 0.00 0.00 58.73 62.25 3bbw h TYR 808 Cb 0.56 0.44 -0.10 0.00 1.54 0.00 0.00 36.73 39.18 3bbw h TYR 808 CO -0.74 -0.51 -0.18 -0.07 -1.64 0.00 0.00 178.16 175.01 3bbw h LEU 809 N -0.70 -0.65 0.01 2.82 3.38 -1.34 0.14 115.31 118.98 3bbw h LEU 809 Ca 0.00 0.17 0.03 0.00 0.09 0.00 0.00 57.88 58.17 3bbw h LEU 809 Cb 0.68 0.38 -0.04 0.00 0.09 0.00 0.00 40.66 41.77 3bbw h LEU 809 CO -0.16 -0.22 -0.25 -0.08 0.09 0.00 0.00 178.44 177.82 3bbw h GLU 810 N -0.07 -0.38 -0.16 1.13 4.81 0.81 0.25 114.58 120.98 3bbw h GLU 810 Ca 0.24 0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.54 3bbw h GLU 810 Cb 0.44 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.90 3bbw h GLU 810 CO -0.56 -0.25 0.19 1.49 -0.73 0.00 0.00 179.01 179.15 3bbw h GLU 811 N -0.39 0.00 -0.09 1.92 4.57 0.15 0.33 114.58 121.07 3bbw h GLU 811 Ca 0.06 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.24 3bbw h GLU 811 Cb 0.47 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.06 3bbw h GLU 811 CO -0.22 0.00 0.00 0.54 -1.18 0.00 0.00 179.01 178.15 3bbw n ARG 812 N -3.71 2.24 -3.19 1.92 1.74 0.37 -4.95 116.66 111.07 3bbw n ARG 812 Ca 0.01 -1.93 -0.15 0.00 -0.77 0.00 0.00 57.85 55.01 3bbw n ARG 812 Cb 0.31 -1.45 0.07 0.00 -1.02 0.00 0.00 32.46 30.36 3bbw n ARG 812 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3bbw n ARG 813 N 1.32 -5.50 -4.88 5.56 1.74 0.12 -5.02 116.66 109.99 3bbw n ARG 813 Ca 0.14 0.65 -0.33 0.00 -0.77 0.00 0.00 57.85 57.54 3bbw n ARG 813 Cb 0.58 -5.10 -0.15 0.00 -1.02 0.00 0.00 32.46 26.77 3bbw n ARG 813 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3bbw s LEU 814 N -5.55 2.58 -0.30 0.55 0.20 -0.25 -5.02 118.68 110.90 3bbw s LEU 814 Ca 0.17 -0.37 -0.08 0.00 0.69 0.00 0.00 54.13 54.55 3bbw s LEU 814 Cb -0.07 -1.56 0.00 0.00 -0.43 0.00 0.00 46.19 44.13 3bbw s LEU 814 CO 0.56 0.18 0.10 -0.69 -0.29 0.00 0.00 176.35 176.21 3bbw s VAL 815 N 0.25 4.16 0.06 1.68 1.01 -1.26 -4.09 120.40 122.20 3bbw s VAL 815 Ca -0.11 -0.61 -0.26 0.00 0.00 0.00 0.00 61.98 61.01 3bbw s VAL 815 Cb -0.16 -3.13 -0.17 0.00 0.00 0.00 0.00 36.38 32.92 3bbw s VAL 815 CO 0.06 0.08 1.57 -0.74 0.00 0.00 0.00 175.10 176.06 3bbw h HIS 816 N 8.27 -0.25 0.00 5.22 2.76 -1.95 -3.37 115.15 125.83 3bbw h HIS 816 Ca -0.32 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 57.85 3bbw h HIS 816 Cb 1.13 0.08 0.00 0.00 1.55 0.00 0.00 27.41 30.18 3bbw h HIS 816 CO 0.62 -0.06 0.00 0.54 -1.30 0.00 0.00 177.93 177.73 3bbw n ARG 817 N -5.15 0.00 -2.73 5.26 1.74 -1.26 -3.75 116.66 110.76 3bbw n ARG 817 Ca -0.09 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 56.90 3bbw n ARG 817 Cb 0.17 -1.22 0.07 0.00 -1.02 0.00 0.00 32.46 30.46 3bbw n ARG 817 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3bbw n ASP 818 N 0.00 -0.53 -4.65 0.55 2.03 -1.26 -5.02 116.55 107.67 3bbw n ASP 818 Ca 0.00 -2.74 -0.42 0.00 0.52 0.00 0.00 54.79 52.15 3bbw n ASP 818 Cb 0.00 0.43 -0.04 0.00 -0.72 0.00 0.00 41.12 40.79 3bbw n ASP 818 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 3bbw s LEU 819 N -2.99 4.11 0.29 -2.67 2.96 -1.26 -4.82 118.68 114.30 3bbw s LEU 819 Ca 0.25 1.11 -0.14 0.00 -0.22 0.00 0.00 54.13 55.14 3bbw s LEU 819 Cb 0.40 -3.24 0.01 0.00 0.50 0.00 0.00 46.19 43.87 3bbw s LEU 819 CO -0.04 -0.49 0.59 0.00 -1.32 0.00 0.00 176.35 175.08 3bbw s ALA 820 N 2.66 -0.43 0.50 5.97 0.00 -1.26 -4.55 121.76 124.64 3bbw s ALA 820 Ca 0.37 -0.80 0.35 0.00 0.00 0.00 0.00 51.96 51.88 3bbw s ALA 820 Cb -0.16 0.96 1.88 0.00 0.00 0.00 0.00 23.12 25.81 3bbw s ALA 820 CO 0.09 -0.91 2.21 0.00 0.00 0.00 0.00 175.76 177.14 3bbw h ALA 821 N 2.13 1.19 -0.16 0.00 0.00 -1.92 -2.35 119.26 118.14 3bbw h ALA 821 Ca -0.26 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.55 3bbw h ALA 821 Cb 1.25 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 3bbw h ALA 821 CO 0.34 0.04 -0.17 0.07 0.00 0.00 0.00 179.25 179.53 3bbw h ARG 822 N 0.00 0.40 -0.81 0.00 0.11 -1.95 -0.41 114.38 111.73 3bbw h ARG 822 Ca -0.00 -0.22 0.00 0.00 0.10 0.00 0.00 59.98 59.86 3bbw h ARG 822 Cb 0.17 0.01 0.00 0.00 1.11 0.00 0.00 29.97 31.26 3bbw h ARG 822 CO 0.00 0.78 0.00 0.09 0.10 0.00 0.00 179.97 180.95 3bbw n ASN 823 N -4.51 2.67 -4.42 0.08 3.02 -0.89 -4.58 115.26 106.64 3bbw n ASN 823 Ca -0.06 -2.32 -0.33 0.00 -0.03 0.00 0.00 54.58 51.83 3bbw n ASN 823 Cb 0.38 -0.54 -0.13 0.00 -0.61 0.00 0.00 39.78 38.88 3bbw n ASN 823 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3bbw s VAL 824 N -1.65 3.45 0.29 2.41 1.01 -1.19 -0.79 120.40 123.92 3bbw s VAL 824 Ca 0.20 -0.51 0.09 0.00 0.00 0.00 0.00 61.98 61.76 3bbw s VAL 824 Cb 0.15 -2.49 -0.04 0.00 0.00 0.00 0.00 36.38 33.99 3bbw s VAL 824 CO 0.06 0.50 0.08 -0.76 0.00 0.00 0.00 175.10 174.98 3bbw s LEU 825 N 0.49 3.32 -0.37 3.92 1.43 0.46 -0.30 118.68 127.63 3bbw s LEU 825 Ca -0.06 -0.62 -0.02 0.00 -1.03 0.00 0.00 54.13 52.40 3bbw s LEU 825 Cb -0.15 -1.83 0.09 0.00 0.03 0.00 0.00 46.19 44.33 3bbw s LEU 825 CO 0.03 -0.10 0.13 -0.69 0.23 0.00 0.00 176.35 175.95 3bbw s VAL 826 N -2.32 3.14 0.03 -1.59 1.01 -0.72 0.08 120.40 120.02 3bbw s VAL 826 Ca 0.34 -1.84 -0.19 0.00 0.00 0.00 0.00 61.98 60.29 3bbw s VAL 826 Cb -0.05 -3.05 -0.20 0.00 0.00 0.00 0.00 36.38 33.07 3bbw s VAL 826 CO 0.22 -0.49 1.17 0.50 0.00 0.00 0.00 175.10 176.50 3bbw h LYS 827 N 8.01 0.47 -3.06 2.72 1.63 -1.31 -3.34 116.57 121.68 3bbw h LYS 827 Ca -0.15 -0.43 -0.09 0.00 -0.85 0.00 0.00 60.65 59.13 3bbw h LYS 827 Cb 1.05 0.10 -0.17 0.00 -0.60 0.00 0.00 32.23 32.61 3bbw h LYS 827 CO 0.63 1.07 -0.16 -1.54 -3.45 0.00 0.00 179.45 176.00 3bbw s SER 828 N -6.70 -0.24 0.19 4.20 1.04 -0.66 -4.77 113.70 106.76 3bbw s SER 828 Ca -0.13 -0.00 0.02 0.00 0.48 0.00 0.00 55.95 56.31 3bbw s SER 828 Cb 0.05 0.39 0.47 0.00 0.10 0.00 0.00 66.02 67.02 3bbw s SER 828 CO 0.82 -0.61 0.93 -2.65 0.98 0.00 0.00 173.24 172.72 3bbw n PRO 829 N 0.70 -0.05 -0.72 4.02 -0.02 -1.26 0.19 135.00 137.86 3bbw n PRO 829 Ca -0.19 0.89 0.09 0.00 -2.02 0.00 0.00 63.50 62.26 3bbw n PRO 829 Cb 0.59 -1.42 0.38 0.00 -0.02 0.00 0.00 33.50 33.03 3bbw n PRO 829 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 3bbw n ASN 830 N -4.74 5.12 -3.47 2.55 5.15 -1.26 -4.84 115.26 113.77 3bbw n ASN 830 Ca 0.14 -2.61 -0.17 0.00 -0.60 0.00 0.00 54.58 51.34 3bbw n ASN 830 Cb 0.47 -0.62 -0.12 0.00 -0.53 0.00 0.00 39.78 38.98 3bbw n ASN 830 CO 0.00 0.00 0.00 -2.28 1.40 0.00 0.00 177.26 176.38 3bbw s HIS 831 N -2.15 -0.34 0.10 1.20 2.46 0.50 -4.99 115.29 112.07 3bbw s HIS 831 Ca 0.53 0.28 0.10 0.00 0.47 0.00 0.00 55.06 56.44 3bbw s HIS 831 Cb 0.36 -0.32 -0.04 0.00 -0.13 0.00 0.00 32.58 32.45 3bbw s HIS 831 CO 0.22 -0.62 -0.26 0.14 -2.47 0.00 0.00 174.74 171.75 3bbw s VAL 832 N 2.35 2.27 0.14 0.89 -7.23 -1.26 -0.86 120.40 116.70 3bbw s VAL 832 Ca 0.08 -1.63 0.08 0.00 -1.81 0.00 0.00 61.98 58.70 3bbw s VAL 832 Cb -0.16 -1.97 -0.04 0.00 0.56 0.00 0.00 36.38 34.77 3bbw s VAL 832 CO -0.13 0.17 -0.18 -0.54 -0.31 0.00 0.00 175.10 174.11 3bbw s LYS 833 N -1.82 1.20 -0.08 4.82 1.02 0.11 -4.34 119.74 120.65 3bbw s LYS 833 Ca 0.14 -1.32 -0.06 0.00 0.02 0.00 0.00 55.97 54.75 3bbw s LYS 833 Cb -0.10 -1.28 -0.04 0.00 -0.52 0.00 0.00 37.83 35.89 3bbw s LYS 833 CO 0.05 0.27 0.17 0.42 -0.92 0.00 0.00 175.35 175.34 3bbw s ILE 834 N -1.82 5.46 0.41 2.17 1.01 -0.96 0.17 121.20 127.64 3bbw s ILE 834 Ca 0.12 0.12 0.03 0.00 0.00 0.00 0.00 60.65 60.93 3bbw s ILE 834 Cb -0.07 -3.46 -0.03 0.00 0.01 0.00 0.00 42.46 38.91 3bbw s ILE 834 CO 0.05 0.52 0.09 0.28 0.00 0.00 0.00 174.94 175.88 3bbw s THR 835 N -1.13 0.88 -1.58 2.92 -1.32 0.03 -0.09 115.64 115.34 3bbw s THR 835 Ca 0.20 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.68 3bbw s THR 835 Cb -0.12 -2.44 0.00 0.00 -1.51 0.00 0.00 72.50 68.42 3bbw s THR 835 CO 0.09 0.00 0.00 0.47 -2.21 0.00 0.00 174.62 172.97 3bbw n ASP 836 N -1.15 -4.80 -4.75 8.08 9.92 -1.26 -4.82 116.55 117.78 3bbw n ASP 836 Ca -0.07 0.36 -0.41 0.00 -0.53 0.00 0.00 54.79 54.13 3bbw n ASP 836 Cb 0.66 -3.63 -0.03 0.00 -0.64 0.00 0.00 41.12 37.48 3bbw n ASP 836 CO 0.00 0.00 0.00 0.72 0.13 0.00 0.00 177.20 178.05 3bbw s PHE 837 N -2.56 3.14 -2.06 1.24 -0.12 -1.26 -3.42 117.98 112.94 3bbw s PHE 837 Ca 0.00 1.29 0.00 0.00 -0.05 0.00 0.00 56.93 58.17 3bbw s PHE 837 Cb 0.00 -3.66 0.00 0.00 -0.63 0.00 0.00 43.02 38.73 3bbw s PHE 837 CO 0.00 -1.96 0.00 0.41 -0.05 0.00 0.00 175.22 173.62 3bbw n GLY 838 N 1.62 1.08 0.29 1.99 0.00 -1.25 -4.86 105.19 104.06 3bbw n GLY 838 Ca 0.03 -0.01 0.16 0.00 0.00 0.00 0.00 46.02 46.20 3bbw n GLY 838 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3bbw h LEU 839 N 0.00 0.00 0.00 0.99 5.85 -1.81 -2.10 115.31 118.24 3bbw h LEU 839 Ca -0.45 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.27 3bbw h LEU 839 Cb 1.36 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.39 3bbw h LEU 839 CO 0.61 0.06 -0.24 0.00 -0.34 0.00 0.00 178.44 178.53 3bbw n ALA 840 N -2.23 2.64 0.19 1.25 0.00 -1.26 -0.68 120.51 120.42 3bbw n ALA 840 Ca -0.02 -0.15 0.06 0.00 0.00 0.00 0.00 53.44 53.33 3bbw n ALA 840 Cb 0.18 -1.34 0.38 0.00 0.00 0.00 0.00 19.45 18.66 3bbw n ALA 840 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3bbw h ARG 841 N 0.00 0.00 0.13 0.00 3.08 -1.77 -2.61 114.38 113.20 3bbw h ARG 841 Ca 0.00 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 59.81 3bbw h ARG 841 Cb 0.65 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.71 3bbw h ARG 841 CO 0.00 0.36 -1.14 -0.07 -1.07 0.00 0.00 179.97 178.05 3bbw h LEU 842 N 0.00 0.43 0.00 3.04 4.07 -1.57 -3.50 115.31 117.78 3bbw h LEU 842 Ca -0.00 -0.90 0.00 0.00 0.08 0.00 0.00 57.88 57.06 3bbw h LEU 842 Cb 0.81 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 42.41 3bbw h LEU 842 CO 0.05 1.52 0.00 0.18 -1.08 0.00 0.00 178.44 179.11 3bbw n LEU 843 N -4.01 0.00 0.00 1.67 4.77 0.14 -4.51 117.00 115.06 3bbw n LEU 843 Ca -0.20 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.78 3bbw n LEU 843 Cb 0.87 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.96 3bbw n LEU 843 CO 0.45 0.00 0.00 -0.81 -1.33 0.00 0.00 177.39 175.70 3bbw n PRO 858 N 0.00 0.00 -0.16 3.23 -0.04 -1.26 -4.77 135.00 132.00 3bbw n PRO 858 Ca 0.00 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.36 3bbw n PRO 858 Cb 0.00 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 33.46 3bbw n PRO 858 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 3bbw h ILE 859 N 0.00 1.27 0.00 0.52 1.08 -2.00 -2.71 117.51 115.67 3bbw h ILE 859 Ca 0.00 -1.13 0.00 0.00 -0.39 0.00 0.00 64.86 63.34 3bbw h ILE 859 Cb 0.00 1.05 0.00 0.00 -3.07 0.00 0.00 36.82 34.80 3bbw h ILE 859 CO 0.00 0.39 0.00 0.29 -0.69 0.00 0.00 178.15 178.14 3bbw n LYS 860 N -4.31 0.21 -0.03 2.37 5.02 -1.26 -0.55 118.16 119.60 3bbw n LYS 860 Ca 0.00 0.15 0.02 0.00 -2.02 0.00 0.00 58.31 56.46 3bbw n LYS 860 Cb 0.34 -1.50 0.04 0.00 -0.02 0.00 0.00 35.03 33.89 3bbw n LYS 860 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 3bbw n TRP 861 N -1.28 0.09 -3.15 2.13 8.01 -1.07 -4.98 117.44 117.18 3bbw n TRP 861 Ca 0.07 -0.21 -0.39 0.00 -1.31 0.00 0.00 57.50 55.66 3bbw n TRP 861 Cb 0.12 -0.02 -0.05 0.00 -2.01 0.00 0.00 31.31 29.35 3bbw n TRP 861 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.69 175.04 3bbw s MET 862 N -0.66 4.36 0.78 -0.99 -1.94 0.28 -3.98 119.30 117.15 3bbw s MET 862 Ca 0.08 0.80 -0.13 0.00 -1.71 0.00 0.00 55.69 54.72 3bbw s MET 862 Cb 0.05 -3.36 0.06 0.00 2.01 0.00 0.00 34.83 33.59 3bbw s MET 862 CO 0.07 0.32 1.18 0.00 -0.01 0.00 0.00 175.02 176.58 3bbw s ALA 863 N -0.06 1.99 0.19 3.03 0.00 -1.26 -4.90 121.76 120.74 3bbw s ALA 863 Ca 0.33 0.75 -0.12 0.00 0.00 0.00 0.00 51.96 52.92 3bbw s ALA 863 Cb -0.18 -3.44 0.11 0.00 0.00 0.00 0.00 23.12 19.60 3bbw s ALA 863 CO 0.18 -2.06 1.83 1.25 0.00 0.00 0.00 175.76 176.96 3bbw h LEU 864 N -0.73 0.79 -1.02 0.00 5.85 -1.95 -2.36 115.31 115.89 3bbw h LEU 864 Ca -0.46 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.19 3bbw h LEU 864 Cb 1.28 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 42.11 3bbw h LEU 864 CO 0.48 0.63 0.00 -1.84 -0.34 0.00 0.00 178.44 177.37 3bbw n GLU 865 N -4.57 0.16 0.05 1.25 0.28 -1.26 -1.10 120.64 115.45 3bbw n GLU 865 Ca 0.05 0.52 0.07 0.00 -0.16 0.00 0.00 57.16 57.65 3bbw n GLU 865 Cb 0.06 -1.90 -0.07 0.00 1.43 0.00 0.00 31.44 30.96 3bbw n GLU 865 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3bbw h ILE 867 N 0.00 1.39 0.00 0.00 2.04 -0.93 -2.71 117.51 117.30 3bbw h ILE 867 Ca -0.07 -2.28 -0.06 0.00 1.00 0.00 0.00 64.86 63.45 3bbw h ILE 867 Cb 1.22 2.71 -0.01 0.00 -0.74 0.00 0.00 36.82 40.01 3bbw h ILE 867 CO 0.01 0.67 -0.38 0.45 0.00 0.00 0.00 178.15 178.90 3bbw h HIS 868 N -0.00 0.00 -0.03 1.37 3.86 -1.55 -3.42 115.15 115.38 3bbw h HIS 868 Ca -0.12 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.09 3bbw h HIS 868 Cb 1.57 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 30.04 3bbw h HIS 868 CO 0.14 0.75 -0.03 0.66 0.86 0.00 0.00 177.93 180.31 3bbw n TYR 869 N -4.61 0.09 -2.92 2.45 4.02 -0.68 -4.98 117.16 110.54 3bbw n TYR 869 Ca -0.13 -1.02 -0.20 0.00 -0.01 0.00 0.00 57.90 56.54 3bbw n TYR 869 Cb 0.39 -0.17 -0.04 0.00 -0.02 0.00 0.00 39.34 39.50 3bbw n TYR 869 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 3bbw n ARG 870 N -1.33 -1.03 -2.74 -0.72 1.74 -0.98 -4.78 116.66 106.81 3bbw n ARG 870 Ca 0.17 0.06 -0.42 0.00 -0.77 0.00 0.00 57.85 56.89 3bbw n ARG 870 Cb 0.67 -2.56 -0.03 0.00 -1.02 0.00 0.00 32.46 29.52 3bbw n ARG 870 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 3bbw s LYS 871 N -4.16 3.32 -0.37 5.56 2.20 -0.97 -4.92 119.74 120.40 3bbw s LYS 871 Ca 0.39 -0.92 -0.20 0.00 -0.36 0.00 0.00 55.97 54.88 3bbw s LYS 871 Cb -0.23 -4.56 0.01 0.00 -1.51 0.00 0.00 37.83 31.53 3bbw s LYS 871 CO 0.48 -1.97 0.61 -0.06 -0.36 0.00 0.00 175.35 174.05 3bbw s PHE 872 N 4.39 3.14 0.15 4.03 0.40 -1.26 -4.39 117.98 124.43 3bbw s PHE 872 Ca 0.32 0.21 0.05 0.00 -0.60 0.00 0.00 56.93 56.91 3bbw s PHE 872 Cb -0.09 -3.14 -0.04 0.00 0.51 0.00 0.00 43.02 40.26 3bbw s PHE 872 CO 0.04 -0.66 -0.10 -0.08 0.70 0.00 0.00 175.22 175.11 3bbw s THR 873 N 2.66 1.19 0.30 0.64 -1.32 -1.26 -5.00 115.64 112.85 3bbw s THR 873 Ca 0.23 -2.07 0.05 0.00 -1.21 0.00 0.00 61.69 58.69 3bbw s THR 873 Cb -0.15 -1.86 0.30 0.00 -1.51 0.00 0.00 72.50 69.28 3bbw s THR 873 CO 0.15 -0.73 1.68 0.45 -2.21 0.00 0.00 174.62 173.96 3bbw h HIS 874 N 2.77 0.62 0.00 9.09 3.86 -1.96 0.35 115.15 129.87 3bbw h HIS 874 Ca -0.37 0.04 0.00 0.00 -1.16 0.00 0.00 60.37 58.89 3bbw h HIS 874 Cb 1.19 -0.13 0.00 0.00 1.06 0.00 0.00 27.41 29.53 3bbw h HIS 874 CO 0.65 -0.12 0.00 1.96 0.86 0.00 0.00 177.93 181.28 3bbw h GLN 875 N 0.33 0.00 0.00 2.45 1.08 -1.94 0.04 115.11 117.07 3bbw h GLN 875 Ca 0.59 0.00 -0.16 0.00 -1.45 0.00 0.00 58.65 57.63 3bbw h GLN 875 Cb 1.19 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.60 3bbw h GLN 875 CO -0.58 0.00 -0.94 1.03 -0.95 0.00 0.00 178.83 177.39 3bbw h SER 876 N 0.00 0.00 -0.14 1.46 0.87 -0.69 -3.23 113.55 111.81 3bbw h SER 876 Ca 0.00 0.00 -0.21 0.00 -1.23 0.00 0.00 61.79 60.35 3bbw h SER 876 Cb 0.46 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.42 3bbw h SER 876 CO 0.00 0.67 -0.70 0.44 -0.53 0.00 0.00 176.83 176.71 3bbw h ASP 877 N 0.00 0.91 -0.84 6.23 3.32 -0.01 -3.13 116.42 122.89 3bbw h ASP 877 Ca -0.07 -0.56 0.18 0.00 0.02 0.00 0.00 57.03 56.61 3bbw h ASP 877 Cb 1.57 -0.27 -0.16 0.00 0.22 0.00 0.00 39.33 40.70 3bbw h ASP 877 CO 0.08 1.35 -0.14 0.58 -1.72 0.00 0.00 179.24 179.39 3bbw h VAL 878 N 0.55 0.18 -0.37 -1.35 2.07 -1.20 0.26 116.25 116.40 3bbw h VAL 878 Ca -0.03 -0.01 0.08 0.00 0.82 0.00 0.00 66.70 67.56 3bbw h VAL 878 Cb 1.32 0.16 -0.07 0.00 -1.52 0.00 0.00 31.29 31.17 3bbw h VAL 878 CO 0.15 0.00 -0.11 -0.25 0.02 0.00 0.00 177.57 177.38 3bbw h TRP 879 N 0.02 -0.25 -0.29 1.57 2.91 -1.57 -1.64 115.95 116.69 3bbw h TRP 879 Ca 0.43 0.03 0.07 0.00 1.13 0.00 0.00 58.89 60.55 3bbw h TRP 879 Cb 0.71 0.17 -0.07 0.00 -0.51 0.00 0.00 29.16 29.46 3bbw h TRP 879 CO -0.59 -0.18 -0.15 0.77 -1.03 0.00 0.00 178.44 177.26 3bbw h SER 880 N -0.03 -0.50 -0.21 2.65 0.02 -0.56 -2.45 113.55 112.47 3bbw h SER 880 Ca 0.18 0.12 0.04 0.00 -0.84 0.00 0.00 61.79 61.28 3bbw h SER 880 Cb 0.30 0.27 -0.07 0.00 0.14 0.00 0.00 62.40 63.05 3bbw h SER 880 CO -0.39 -0.19 -0.53 0.22 -1.14 0.00 0.00 176.83 174.80 3bbw h TYR 881 N -0.11 -1.60 -0.52 3.45 3.20 -0.36 0.20 116.97 121.23 3bbw h TYR 881 Ca 0.15 0.07 0.05 0.00 3.14 0.00 0.00 58.73 62.14 3bbw h TYR 881 Cb 0.34 0.73 -0.06 0.00 1.54 0.00 0.00 36.73 39.28 3bbw h TYR 881 CO -0.35 -0.53 -0.31 0.41 -1.64 0.00 0.00 178.16 175.75 3bbw n GLY 882 N -1.42 -1.74 0.33 1.82 0.00 -0.67 0.11 105.19 103.62 3bbw n GLY 882 Ca -0.05 0.69 -0.04 0.00 0.00 0.00 0.00 46.02 46.62 3bbw n GLY 882 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3bbw h VAL 883 N 0.00 1.23 0.06 1.61 2.07 -0.83 -1.53 116.25 118.86 3bbw h VAL 883 Ca 0.08 -0.48 0.01 0.00 0.82 0.00 0.00 66.70 67.13 3bbw h VAL 883 Cb 0.21 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.02 3bbw h VAL 883 CO -0.49 0.23 -0.10 0.74 0.02 0.00 0.00 177.57 177.98 3bbw h THR 884 N 1.13 0.77 -0.73 2.57 2.02 0.39 0.19 112.91 119.25 3bbw h THR 884 Ca 0.30 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.48 3bbw h THR 884 Cb -0.06 0.77 -0.04 0.00 -1.74 0.00 0.00 68.15 67.08 3bbw h THR 884 CO -0.06 0.00 0.48 0.16 0.37 0.00 0.00 175.52 176.47 3bbw h ILE 885 N -0.20 1.19 -0.68 3.11 3.07 -0.56 -0.58 117.51 122.87 3bbw h ILE 885 Ca 0.02 -0.36 0.15 0.00 1.55 0.00 0.00 64.86 66.21 3bbw h ILE 885 Cb 0.21 0.12 -0.11 0.00 -0.27 0.00 0.00 36.82 36.77 3bbw h ILE 885 CO -0.06 0.19 0.06 -0.25 -1.05 0.00 0.00 178.15 177.05 3bbw h TRP 886 N 1.00 0.07 -0.48 0.16 7.01 -0.17 0.65 115.95 124.19 3bbw h TRP 886 Ca 0.27 0.05 0.14 0.00 2.11 0.00 0.00 58.89 61.45 3bbw h TRP 886 Cb -0.10 0.07 -0.02 0.00 -2.10 0.00 0.00 29.16 27.01 3bbw h TRP 886 CO -0.02 -0.15 0.38 0.93 -2.79 0.00 0.00 178.44 176.79 3bbw h GLU 887 N 0.17 0.00 0.00 2.65 5.08 0.93 -1.81 114.58 121.60 3bbw h GLU 887 Ca 0.37 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.72 3bbw h GLU 887 Cb 0.61 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.86 3bbw h GLU 887 CO -0.54 0.00 -0.06 -0.07 -1.00 0.00 0.00 179.01 177.34 3bbw h LEU 888 N 0.00 0.00 -0.70 1.33 3.38 0.73 0.22 115.31 120.27 3bbw h LEU 888 Ca 0.23 -0.98 0.11 0.00 0.09 0.00 0.00 57.88 57.33 3bbw h LEU 888 Cb 0.98 -0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.65 3bbw h LEU 888 CO -0.00 1.02 0.30 0.24 0.09 0.00 0.00 178.44 180.09 3bbw h MET 889 N -0.99 0.48 0.00 1.13 2.86 -0.37 0.41 114.93 118.44 3bbw h MET 889 Ca -0.02 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 3bbw h MET 889 Cb 1.02 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.57 3bbw h MET 889 CO -0.01 0.31 0.00 0.25 1.06 0.00 0.00 176.91 178.53 3bbw n THR 890 N -4.95 0.86 -1.02 2.22 -2.24 -0.83 -4.73 114.28 103.58 3bbw n THR 890 Ca 0.12 0.21 -0.01 0.00 -2.27 0.00 0.00 64.05 62.10 3bbw n THR 890 Cb 0.33 -0.98 -0.00 0.00 -2.10 0.00 0.00 70.33 67.58 3bbw n THR 890 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3bbw n PHE 891 N -1.67 0.00 0.00 4.78 3.72 0.14 -3.92 117.46 120.52 3bbw n PHE 891 Ca 0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.44 3bbw n PHE 891 Cb 0.20 -0.44 0.00 0.00 -0.94 0.00 0.00 39.48 38.31 3bbw n PHE 891 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3bbw n GLY 892 N -2.73 1.66 3.65 1.37 0.00 0.76 -2.20 105.19 107.70 3bbw n GLY 892 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 3bbw n GLY 892 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bbw n GLY 893 N 0.00 -0.12 3.55 -0.02 0.00 -1.25 -4.96 105.19 102.39 3bbw n GLY 893 Ca 0.00 -0.24 -0.41 0.00 0.00 0.00 0.00 46.02 45.37 3bbw n GLY 893 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bbw s LYS 894 N -3.23 3.58 0.35 1.61 1.02 -1.26 -4.80 119.74 117.01 3bbw s LYS 894 Ca 0.77 -0.30 -0.28 0.00 0.02 0.00 0.00 55.97 56.19 3bbw s LYS 894 Cb -0.37 -3.81 -0.12 0.00 -0.52 0.00 0.00 37.83 33.01 3bbw s LYS 894 CO 0.46 -0.60 1.25 -2.30 -0.92 0.00 0.00 175.35 173.25 3bbw n PRO 895 N 5.58 2.01 -4.09 -1.68 -0.02 -1.26 -2.43 135.00 133.11 3bbw n PRO 895 Ca -0.07 0.71 -0.29 0.00 -2.02 0.00 0.00 63.50 61.83 3bbw n PRO 895 Cb 0.49 -2.28 -0.04 0.00 -0.02 0.00 0.00 33.50 31.65 3bbw n PRO 895 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3bbw n TYR 896 N 0.23 -1.59 -1.98 6.00 4.02 -1.26 -4.86 117.16 117.73 3bbw n TYR 896 Ca 0.05 0.73 -0.38 0.00 -0.01 0.00 0.00 57.90 58.30 3bbw n TYR 896 Cb 0.36 -3.35 0.02 0.00 -0.02 0.00 0.00 39.34 36.35 3bbw n TYR 896 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 3bbw s ASP 897 N -4.11 5.56 -1.57 7.72 -1.08 -1.02 -2.26 116.67 119.92 3bbw s ASP 897 Ca 0.19 2.55 0.00 0.00 -0.52 0.00 0.00 52.55 54.77 3bbw s ASP 897 Cb -0.10 -2.62 0.00 0.00 -1.46 0.00 0.00 42.92 38.74 3bbw s ASP 897 CO 0.92 -1.35 0.00 0.61 0.52 0.00 0.00 175.17 175.87 3bbw n GLY 898 N 0.60 0.44 3.17 2.66 0.00 -1.26 -4.99 105.19 105.81 3bbw n GLY 898 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 3bbw n GLY 898 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3bbw s ILE 899 N -2.64 1.78 1.03 -0.61 1.01 -0.96 -5.14 121.20 115.67 3bbw s ILE 899 Ca 0.00 -0.87 -0.12 0.00 0.00 0.00 0.00 60.65 59.67 3bbw s ILE 899 Cb 0.00 -1.54 0.21 0.00 0.01 0.00 0.00 42.46 41.14 3bbw s ILE 899 CO 0.00 0.50 1.08 -2.16 0.00 0.00 0.00 174.94 174.36 3bbw s PRO 900 N 0.32 0.11 0.04 2.79 0.04 -1.26 -4.98 135.00 132.05 3bbw s PRO 900 Ca -0.14 1.10 -0.29 0.00 0.04 0.00 0.00 61.00 61.71 3bbw s PRO 900 Cb -0.16 -1.65 -0.16 0.00 0.04 0.00 0.00 34.50 32.56 3bbw s PRO 900 CO 0.06 -3.11 1.32 1.15 0.04 0.00 0.00 177.00 176.47 3bbw h THR 901 N -2.19 0.00 0.00 1.26 2.02 -2.01 -3.31 112.91 108.68 3bbw h THR 901 Ca -0.53 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 66.56 3bbw h THR 901 Cb 1.30 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.71 3bbw h THR 901 CO 0.48 0.00 0.00 0.54 0.37 0.00 0.00 175.52 176.91 3bbw n ARG 902 N -5.02 0.25 -0.04 6.66 1.74 -1.26 -0.99 116.66 118.01 3bbw n ARG 902 Ca -0.13 0.00 0.04 0.00 -0.77 0.00 0.00 57.85 56.99 3bbw n ARG 902 Cb 0.41 -1.50 -0.15 0.00 -1.02 0.00 0.00 32.46 30.20 3bbw n ARG 902 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3bbw n GLU 903 N -1.01 0.74 -0.39 5.56 1.02 -1.24 -4.58 120.64 120.74 3bbw n GLU 903 Ca 0.06 -0.12 -0.06 0.00 -0.02 0.00 0.00 57.16 57.02 3bbw n GLU 903 Cb 0.03 -1.46 -0.03 0.00 -0.02 0.00 0.00 31.44 29.95 3bbw n GLU 903 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 3bbw n ILE 904 N -2.34 -0.59 -0.18 -3.67 2.08 -0.16 -1.85 119.36 112.66 3bbw n ILE 904 Ca -0.12 2.30 -0.04 0.00 0.56 0.00 0.00 62.75 65.45 3bbw n ILE 904 Cb 0.70 -2.94 0.05 0.00 -0.75 0.00 0.00 39.64 36.70 3bbw n ILE 904 CO 0.00 0.00 0.00 -0.65 0.56 0.00 0.00 176.55 176.46 3bbw h PRO 905 N 0.00 0.55 -0.09 0.38 0.11 -1.81 0.29 132.00 131.44 3bbw h PRO 905 Ca 0.24 -0.03 -0.15 0.00 0.11 0.00 0.00 66.00 66.17 3bbw h PRO 905 Cb 0.48 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.45 3bbw h PRO 905 CO -0.93 0.37 -0.59 -0.44 -0.21 0.00 0.00 178.00 176.19 3bbw h ASP 906 N 0.57 0.33 -0.19 -2.05 5.19 -1.81 -1.16 116.42 117.30 3bbw h ASP 906 Ca 0.23 -0.18 -0.00 0.00 -0.62 0.00 0.00 57.03 56.45 3bbw h ASP 906 Cb 0.09 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 39.50 3bbw h ASP 906 CO -0.13 0.84 0.11 0.25 -3.12 0.00 0.00 179.24 177.19 3bbw h LEU 907 N 0.22 0.22 0.58 1.55 6.46 -0.58 -2.55 115.31 121.21 3bbw h LEU 907 Ca -0.00 -0.05 -0.03 0.00 -0.12 0.00 0.00 57.88 57.68 3bbw h LEU 907 Cb 1.10 -0.06 0.01 0.00 -0.73 0.00 0.00 40.66 40.98 3bbw h LEU 907 CO 0.09 0.21 -0.28 -0.07 -0.62 0.00 0.00 178.44 177.78 3bbw h LEU 908 N 0.22 -0.66 -1.79 2.25 3.38 -0.83 -2.69 115.31 115.18 3bbw h LEU 908 Ca 0.07 0.01 0.32 0.00 0.09 0.00 0.00 57.88 58.37 3bbw h LEU 908 Cb 0.03 0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 3bbw h LEU 908 CO -0.01 -0.45 0.93 -0.33 0.09 0.00 0.00 178.44 178.66 3bbw h GLU 909 N -0.81 0.00 0.00 1.13 5.08 -1.17 0.40 114.58 119.22 3bbw h GLU 909 Ca -0.08 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.23 3bbw h GLU 909 Cb 0.61 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 3bbw h GLU 909 CO 0.13 0.00 -0.22 0.87 -1.00 0.00 0.00 179.01 178.79 3bbw h LYS 910 N 0.00 0.00 0.00 2.33 1.57 -1.11 -3.47 116.57 115.90 3bbw h LYS 910 Ca 0.52 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.30 3bbw h LYS 910 Cb 2.37 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.68 3bbw h LYS 910 CO -0.01 0.22 0.00 0.41 -0.57 0.00 0.00 179.45 179.50 3bbw n GLY 911 N 0.24 1.13 3.68 3.86 0.00 0.14 -5.08 105.19 109.17 3bbw n GLY 911 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 3bbw n GLY 911 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3bbw s GLU 912 N -0.47 4.26 0.46 1.61 2.02 -1.20 -5.06 118.70 120.32 3bbw s GLU 912 Ca 0.00 0.53 0.00 0.00 0.02 0.00 0.00 54.97 55.52 3bbw s GLU 912 Cb 0.00 -3.52 0.00 0.00 0.10 0.00 0.00 34.13 30.71 3bbw s GLU 912 CO 0.00 -0.08 0.03 0.54 0.02 0.00 0.00 175.26 175.77 3bbw n ARG 913 N 4.49 0.89 -1.75 1.61 3.00 -1.26 -4.22 116.66 119.41 3bbw n ARG 913 Ca -0.04 -3.30 -0.39 0.00 -0.01 0.00 0.00 57.85 54.11 3bbw n ARG 913 Cb 0.51 0.84 0.03 0.00 0.00 0.00 0.00 32.46 33.84 3bbw n ARG 913 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 3bbw n LEU 914 N 0.00 5.34 -4.90 0.55 4.77 -1.26 -4.98 117.00 116.52 3bbw n LEU 914 Ca -0.18 1.03 -0.28 0.00 -0.03 0.00 0.00 56.01 56.56 3bbw n LEU 914 Cb 0.58 -1.59 0.08 0.00 -2.33 0.00 0.00 43.42 40.16 3bbw n LEU 914 CO 0.31 -0.42 0.74 -2.16 -1.33 0.00 0.00 177.39 174.53 3bbw s PRO 915 N -2.70 2.14 0.06 3.23 0.04 -1.26 -4.99 135.00 131.52 3bbw s PRO 915 Ca 0.67 0.07 -0.31 0.00 0.04 0.00 0.00 61.00 61.48 3bbw s PRO 915 Cb -0.43 -2.02 -0.08 0.00 0.04 0.00 0.00 34.50 32.02 3bbw s PRO 915 CO 0.53 -1.43 1.61 -1.14 0.04 0.00 0.00 177.00 176.61 3bbw s GLN 916 N -5.47 4.21 0.10 4.56 0.74 -1.26 -5.00 119.66 117.54 3bbw s GLN 916 Ca 0.61 2.27 -0.30 0.00 0.05 0.00 0.00 55.36 57.99 3bbw s GLN 916 Cb -0.11 -3.59 -0.06 0.00 1.10 0.00 0.00 33.01 30.34 3bbw s GLN 916 CO 0.48 -0.71 1.20 -2.14 -0.55 0.00 0.00 175.29 173.57 3bbw s PRO 917 N 2.60 4.45 0.09 1.67 0.02 -1.26 -4.94 135.00 137.64 3bbw s PRO 917 Ca 0.72 1.80 -0.03 0.00 0.02 0.00 0.00 61.00 63.51 3bbw s PRO 917 Cb -0.38 -3.32 0.15 0.00 0.02 0.00 0.00 34.50 30.97 3bbw s PRO 917 CO 0.31 -0.21 0.54 -2.30 -0.33 0.00 0.00 177.00 175.02 3bbw n PRO 918 N 3.53 -0.04 -0.74 5.54 -0.02 -1.26 -0.33 135.00 141.69 3bbw n PRO 918 Ca 0.08 0.54 -0.05 0.00 -2.02 0.00 0.00 63.50 62.05 3bbw n PRO 918 Cb 0.46 -0.81 0.21 0.00 -0.02 0.00 0.00 33.50 33.34 3bbw n PRO 918 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 3bbw n ILE 919 N -4.56 2.22 -4.34 4.25 -5.35 -1.26 -4.89 119.36 105.43 3bbw n ILE 919 Ca 0.05 -1.15 -0.34 0.00 -0.27 0.00 0.00 62.75 61.05 3bbw n ILE 919 Cb 0.17 -0.48 -0.14 0.00 -1.74 0.00 0.00 39.64 37.45 3bbw n ILE 919 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3bbw s THR 921 N 0.89 3.50 0.32 0.00 -4.23 -1.15 -4.86 115.64 110.10 3bbw s THR 921 Ca -0.02 1.35 0.08 0.00 -1.18 0.00 0.00 61.69 61.92 3bbw s THR 921 Cb -0.15 -3.80 0.33 0.00 1.34 0.00 0.00 72.50 70.22 3bbw s THR 921 CO 0.00 0.20 1.64 -0.29 -0.54 0.00 0.00 174.62 175.63 3bbw h ILE 922 N 2.69 0.25 -0.17 2.99 6.09 -1.98 -0.89 117.51 126.49 3bbw h ILE 922 Ca -0.48 -0.07 0.02 0.00 -1.37 0.00 0.00 64.86 62.96 3bbw h ILE 922 Cb 1.22 0.02 -0.02 0.00 0.47 0.00 0.00 36.82 38.51 3bbw h ILE 922 CO 0.65 0.04 -0.11 0.44 -3.07 0.00 0.00 178.15 176.09 3bbw h ASP 923 N 0.21 -0.40 0.23 2.19 3.32 -1.93 0.57 116.42 120.60 3bbw h ASP 923 Ca 0.65 0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.74 3bbw h ASP 923 Cb 1.43 0.18 -0.00 0.00 0.22 0.00 0.00 39.33 41.16 3bbw h ASP 923 CO -0.68 -0.05 -0.09 -0.37 -1.72 0.00 0.00 179.24 176.33 3bbw h VAL 924 N -0.02 0.63 -0.04 -1.35 -1.51 -1.48 0.40 116.25 112.88 3bbw h VAL 924 Ca 0.03 -0.38 -0.14 0.00 -1.23 0.00 0.00 66.70 64.98 3bbw h VAL 924 Cb 0.09 1.23 -0.01 0.00 -2.13 0.00 0.00 31.29 30.47 3bbw h VAL 924 CO -0.17 0.09 -0.60 0.22 -1.23 0.00 0.00 177.57 175.88 3bbw h TYR 925 N 0.00 0.18 0.00 5.19 3.20 -0.38 -3.04 116.97 122.12 3bbw h TYR 925 Ca -0.00 -0.07 -0.05 0.00 3.14 0.00 0.00 58.73 61.75 3bbw h TYR 925 Cb 0.23 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.46 3bbw h TYR 925 CO 0.00 0.71 -0.22 0.52 -1.64 0.00 0.00 178.16 177.53 3bbw h MET 926 N 0.11 0.00 0.87 1.82 2.86 0.45 -1.90 114.93 119.14 3bbw h MET 926 Ca -0.01 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.59 3bbw h MET 926 Cb 1.09 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.76 3bbw h MET 926 CO 0.09 0.22 -0.42 0.28 1.06 0.00 0.00 176.91 178.14 3bbw h VAL 927 N 0.00 0.08 -0.28 -2.22 2.07 -1.36 -2.94 116.25 111.61 3bbw h VAL 927 Ca -0.00 -0.09 0.06 0.00 0.82 0.00 0.00 66.70 67.49 3bbw h VAL 927 Cb 0.85 0.09 -0.08 0.00 -1.52 0.00 0.00 31.29 30.63 3bbw h VAL 927 CO 0.03 0.00 -0.39 0.24 0.02 0.00 0.00 177.57 177.48 3bbw h MET 928 N -1.25 -0.36 -0.81 1.57 2.07 -1.37 -1.57 114.93 113.22 3bbw h MET 928 Ca -0.12 0.02 0.19 0.00 -2.07 0.00 0.00 59.70 57.73 3bbw h MET 928 Cb 0.90 0.08 -0.13 0.00 -1.87 0.00 0.00 31.60 30.58 3bbw h MET 928 CO 0.20 -0.24 0.16 0.28 1.07 0.00 0.00 176.91 178.38 3bbw h VAL 929 N -0.37 0.39 0.00 -2.22 2.07 -1.41 0.78 116.25 115.48 3bbw h VAL 929 Ca 0.12 -0.07 -0.00 0.00 0.82 0.00 0.00 66.70 67.56 3bbw h VAL 929 Cb 0.58 0.16 -0.00 0.00 -1.52 0.00 0.00 31.29 30.51 3bbw h VAL 929 CO -0.48 0.04 -0.01 0.11 0.02 0.00 0.00 177.57 177.25 3bbw h LYS 930 N 0.21 0.00 0.00 1.57 1.57 -1.09 -0.40 116.57 118.43 3bbw h LYS 930 Ca 0.47 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.23 3bbw h LYS 930 Cb 0.88 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.19 3bbw h LYS 930 CO -0.61 0.01 -0.14 0.00 -0.57 0.00 0.00 179.45 178.15 3bbw n TRP 932 N -3.29 2.91 -2.51 0.00 8.01 -0.16 -3.82 117.44 118.58 3bbw n TRP 932 Ca 0.00 -2.49 -0.42 0.00 -1.31 0.00 0.00 57.50 53.28 3bbw n TRP 932 Cb 0.38 -1.09 -0.03 0.00 -2.01 0.00 0.00 31.31 28.56 3bbw n TRP 932 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.69 175.04 3bbw s MET 933 N -3.61 4.43 0.26 -0.99 -1.94 -1.04 -4.93 119.30 111.48 3bbw s MET 933 Ca 0.59 1.64 -0.03 0.00 -1.71 0.00 0.00 55.69 56.18 3bbw s MET 933 Cb 0.48 -3.45 0.53 0.00 2.01 0.00 0.00 34.83 34.39 3bbw s MET 933 CO 0.03 -0.28 1.66 0.97 -0.01 0.00 0.00 175.02 177.39 3bbw h ILE 934 N 4.77 0.41 -3.16 2.53 6.09 -1.93 -3.37 117.51 122.86 3bbw h ILE 934 Ca -0.38 -0.07 -0.57 0.00 -1.37 0.00 0.00 64.86 62.47 3bbw h ILE 934 Cb 1.19 0.18 -0.05 0.00 0.47 0.00 0.00 36.82 38.62 3bbw h ILE 934 CO 0.82 0.04 0.69 -0.62 -3.07 0.00 0.00 178.15 176.02 3bbw s ASP 935 N -5.19 7.16 0.08 2.19 2.15 -1.26 -4.93 116.67 116.88 3bbw s ASP 935 Ca -0.13 1.47 -0.36 0.00 0.43 0.00 0.00 52.55 53.96 3bbw s ASP 935 Cb 0.23 -2.55 -0.18 0.00 -0.30 0.00 0.00 42.92 40.12 3bbw s ASP 935 CO 0.76 -0.57 1.57 0.00 -0.17 0.00 0.00 175.17 176.76 3bbw h ALA 936 N 7.31 -1.17 -0.89 3.66 0.00 -1.95 -2.97 119.26 123.25 3bbw h ALA 936 Ca -0.25 -0.21 0.20 0.00 0.00 0.00 0.00 54.91 54.65 3bbw h ALA 936 Cb 1.10 0.68 -0.07 0.00 0.00 0.00 0.00 17.79 19.51 3bbw h ALA 936 CO 0.92 -1.19 0.59 -0.44 0.00 0.00 0.00 179.25 179.13 3bbw h ASP 937 N -1.07 0.42 0.37 0.00 3.32 -1.93 0.11 116.42 117.62 3bbw h ASP 937 Ca -0.08 0.04 -0.05 0.00 0.02 0.00 0.00 57.03 56.97 3bbw h ASP 937 Cb 0.90 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.41 3bbw h ASP 937 CO -0.00 0.17 -0.23 0.28 -1.72 0.00 0.00 179.24 177.74 3bbw h SER 938 N 0.42 0.00 -4.29 6.45 0.02 -1.90 -3.44 113.55 110.81 3bbw h SER 938 Ca 0.46 0.00 -0.52 0.00 -0.84 0.00 0.00 61.79 60.90 3bbw h SER 938 Cb 1.13 0.00 0.15 0.00 0.14 0.00 0.00 62.40 63.83 3bbw h SER 938 CO -0.18 0.23 0.29 -0.13 -1.14 0.00 0.00 176.83 175.90 3bbw s ARG 939 N -4.25 1.86 0.62 3.45 0.52 0.37 -5.01 118.95 116.51 3bbw s ARG 939 Ca -0.03 1.32 -0.16 0.00 -0.52 0.00 0.00 55.73 56.34 3bbw s ARG 939 Cb 0.14 -1.84 -0.02 0.00 0.52 0.00 0.00 34.95 33.75 3bbw s ARG 939 CO 0.66 -1.97 1.10 -2.14 0.02 0.00 0.00 175.30 172.97 3bbw s PRO 940 N -4.76 3.04 0.25 3.54 0.02 -1.26 -5.06 135.00 130.77 3bbw s PRO 940 Ca 0.64 1.39 -0.06 0.00 0.02 0.00 0.00 61.00 62.99 3bbw s PRO 940 Cb -0.19 -1.98 -0.06 0.00 0.02 0.00 0.00 34.50 32.28 3bbw s PRO 940 CO 0.56 -1.06 0.52 0.15 -0.33 0.00 0.00 177.00 176.84 3bbw s LYS 941 N -3.91 3.68 0.39 5.54 -0.14 -1.26 -4.92 119.74 119.11 3bbw s LYS 941 Ca 0.67 0.07 0.05 0.00 -1.36 0.00 0.00 55.97 55.41 3bbw s LYS 941 Cb -0.20 -2.68 0.78 0.00 -1.68 0.00 0.00 37.83 34.05 3bbw s LYS 941 CO 0.37 0.29 2.03 0.74 -0.76 0.00 0.00 175.35 178.02 3bbw h PHE 942 N 2.12 0.63 -0.55 3.18 -1.00 -1.97 0.36 116.94 119.72 3bbw h PHE 942 Ca -0.47 0.02 0.07 0.00 2.81 0.00 0.00 57.97 60.39 3bbw h PHE 942 Cb 1.18 -0.21 -0.10 0.00 3.61 0.00 0.00 35.95 40.43 3bbw h PHE 942 CO 0.59 0.39 -0.51 0.87 -1.61 0.00 0.00 178.31 178.04 3bbw h LYS 943 N 0.68 -0.27 0.36 1.51 1.57 -1.94 -1.03 116.57 117.44 3bbw h LYS 943 Ca 0.20 0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.99 3bbw h LYS 943 Cb -0.03 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 3bbw h LYS 943 CO -0.05 -0.18 -0.36 0.93 -0.57 0.00 0.00 179.45 179.22 3bbw h GLU 944 N -0.28 -0.71 -0.87 3.15 5.08 -1.33 -1.44 114.58 118.18 3bbw h GLU 944 Ca 0.13 0.05 0.14 0.00 -1.00 0.00 0.00 59.36 58.67 3bbw h GLU 944 Cb 0.56 0.16 -0.07 0.00 0.50 0.00 0.00 28.75 29.91 3bbw h GLU 944 CO -0.67 -0.48 0.56 -0.07 -1.00 0.00 0.00 179.01 177.35 3bbw h LEU 945 N -0.74 0.63 0.00 1.33 3.38 -1.17 0.94 115.31 119.68 3bbw h LEU 945 Ca -0.02 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3bbw h LEU 945 Cb 0.67 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.33 3bbw h LEU 945 CO -0.06 0.33 0.00 0.00 0.09 0.00 0.00 178.44 178.80 3bbw n ALA 946 N -2.44 -0.37 -0.29 1.53 0.00 -0.42 -0.94 120.51 117.59 3bbw n ALA 946 Ca 0.17 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.70 3bbw n ALA 946 Cb 0.46 0.07 0.20 0.00 0.00 0.00 0.00 19.45 20.18 3bbw n ALA 946 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3bbw n ALA 947 N -1.97 0.35 0.27 0.00 0.00 -0.23 0.87 120.51 119.79 3bbw n ALA 947 Ca 0.00 0.88 -0.13 0.00 0.00 0.00 0.00 53.44 54.19 3bbw n ALA 947 Cb 0.00 -0.61 -0.07 0.00 0.00 0.00 0.00 19.45 18.78 3bbw n ALA 947 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3bbw h GLU 948 N 0.00 -0.69 -0.40 0.00 4.57 -0.76 0.14 114.58 117.44 3bbw h GLU 948 Ca 0.46 0.05 0.01 0.00 -1.18 0.00 0.00 59.36 58.70 3bbw h GLU 948 Cb 0.88 0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 29.61 3bbw h GLU 948 CO -0.79 -0.39 0.27 0.74 -1.18 0.00 0.00 179.01 177.65 3bbw h PHE 949 N -1.09 0.49 0.00 0.92 0.05 0.97 0.59 116.94 118.87 3bbw h PHE 949 Ca -0.07 0.01 -0.04 0.00 3.82 0.00 0.00 57.97 61.68 3bbw h PHE 949 Cb 0.61 -0.16 -0.01 0.00 2.00 0.00 0.00 35.95 38.39 3bbw h PHE 949 CO 0.01 0.30 -0.21 0.77 -0.18 0.00 0.00 178.31 179.00 3bbw h SER 950 N 0.52 0.00 0.01 2.17 0.02 0.72 -1.71 113.55 115.28 3bbw h SER 950 Ca 0.15 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.90 3bbw h SER 950 Cb -0.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.52 3bbw h SER 950 CO -0.03 0.21 -0.71 -0.09 -1.14 0.00 0.00 176.83 175.07 3bbw h ARG 951 N 0.00 0.63 0.00 3.45 2.43 0.15 -3.27 114.38 117.77 3bbw h ARG 951 Ca -0.00 -0.48 -0.01 0.00 -0.81 0.00 0.00 59.98 58.68 3bbw h ARG 951 Cb 0.42 0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 30.06 3bbw h ARG 951 CO 0.03 1.11 -0.03 0.52 -1.51 0.00 0.00 179.97 180.08 3bbw h MET 952 N 0.44 0.00 -0.10 0.20 2.86 -0.41 -3.18 114.93 114.74 3bbw h MET 952 Ca -0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 3bbw h MET 952 Cb 1.30 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.96 3bbw h MET 952 CO 0.14 0.03 0.00 0.00 1.06 0.00 0.00 176.91 178.14 3bbw n ALA 953 N -2.11 2.48 -0.03 6.32 0.00 -0.76 -2.84 120.51 123.58 3bbw n ALA 953 Ca 0.02 -0.18 -0.12 0.00 0.00 0.00 0.00 53.44 53.17 3bbw n ALA 953 Cb 0.43 -0.99 -0.14 0.00 0.00 0.00 0.00 19.45 18.74 3bbw n ALA 953 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3bbw n ARG 954 N -0.21 0.67 -3.50 0.00 1.74 -1.20 -4.70 116.66 109.45 3bbw n ARG 954 Ca 0.03 0.23 -0.28 0.00 -0.77 0.00 0.00 57.85 57.07 3bbw n ARG 954 Cb 0.09 -1.72 -0.11 0.00 -1.02 0.00 0.00 32.46 29.69 3bbw n ARG 954 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3bbw s ASP 955 N -6.18 2.60 -0.06 0.55 2.15 -1.13 -5.05 116.67 109.55 3bbw s ASP 955 Ca -0.10 -2.70 -0.26 0.00 0.43 0.00 0.00 52.55 49.92 3bbw s ASP 955 Cb 0.07 -0.59 -0.22 0.00 -0.30 0.00 0.00 42.92 41.88 3bbw s ASP 955 CO 0.81 -0.24 1.08 1.55 -0.17 0.00 0.00 175.17 178.20 3bbw h PRO 956 N 6.34 0.05 0.00 4.34 0.13 -1.84 -2.85 132.00 138.18 3bbw h PRO 956 Ca 0.13 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 3bbw h PRO 956 Cb 0.93 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.07 3bbw h PRO 956 CO 0.37 0.74 0.00 0.00 -0.23 0.00 0.00 178.00 178.87 3bbw n GLN 957 N -4.70 0.56 0.10 0.86 10.64 -1.26 -1.78 117.38 121.79 3bbw n GLN 957 Ca -0.09 0.02 0.13 0.00 -1.83 0.00 0.00 57.00 55.22 3bbw n GLN 957 Cb 0.37 -1.50 0.44 0.00 -0.86 0.00 0.00 30.24 28.69 3bbw n GLN 957 CO 0.00 0.00 0.00 -2.13 -1.83 0.00 0.00 177.06 173.10 3bbw n ARG 958 N -1.04 0.22 0.00 2.61 0.00 -1.08 -3.89 116.66 113.48 3bbw n ARG 958 Ca 0.14 0.25 0.00 0.00 -0.00 0.00 0.00 57.85 58.23 3bbw n ARG 958 Cb 0.08 -1.79 0.00 0.00 0.00 0.00 0.00 32.46 30.74 3bbw n ARG 958 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 3bbw n TYR 959 N -2.19 0.00 -4.33 -0.14 4.02 -0.74 -5.01 117.16 108.76 3bbw n TYR 959 Ca 0.05 0.00 -0.21 0.00 -0.01 0.00 0.00 57.90 57.73 3bbw n TYR 959 Cb 0.38 0.00 -0.16 0.00 -0.02 0.00 0.00 39.34 39.54 3bbw n TYR 959 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 3bbw s LEU 960 N -1.65 1.60 -0.25 7.72 1.43 -1.08 -2.96 118.68 123.50 3bbw s LEU 960 Ca 0.00 -0.18 -0.02 0.00 -1.03 0.00 0.00 54.13 52.90 3bbw s LEU 960 Cb 0.00 -0.55 0.03 0.00 0.03 0.00 0.00 46.19 45.70 3bbw s LEU 960 CO 0.00 0.02 -0.06 -0.69 0.23 0.00 0.00 176.35 175.85 3bbw s VAL 961 N 0.53 2.88 -0.17 -1.59 1.01 -1.03 -4.31 120.40 117.71 3bbw s VAL 961 Ca -0.08 -1.03 0.01 0.00 0.00 0.00 0.00 61.98 60.87 3bbw s VAL 961 Cb -0.12 -2.47 0.02 0.00 0.00 0.00 0.00 36.38 33.81 3bbw s VAL 961 CO 0.01 0.19 -0.18 -0.63 0.00 0.00 0.00 175.10 174.49 3bbw s ILE 962 N 1.32 1.90 0.00 2.22 1.01 -1.26 -4.46 121.20 121.93 3bbw s ILE 962 Ca -0.00 -0.84 0.00 0.00 0.00 0.00 0.00 60.65 59.81 3bbw s ILE 962 Cb -0.17 -1.74 0.00 0.00 0.01 0.00 0.00 42.46 40.57 3bbw s ILE 962 CO -0.04 0.51 0.00 0.00 0.00 0.00 0.00 174.94 175.41 3bbw n GLN 963 N 4.66 1.24 -0.83 2.79 3.00 -1.26 -4.97 117.38 122.01 3bbw n GLN 963 Ca -0.20 0.00 0.11 0.00 -0.01 0.00 0.00 57.00 56.90 3bbw n GLN 963 Cb 0.50 0.00 -0.04 0.00 0.00 0.00 0.00 30.24 30.70 3bbw n GLN 963 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3bbw n GLY 964 N 5.00 -2.53 1.83 1.08 0.00 -1.26 -4.98 105.19 104.33 3bbw n GLY 964 Ca 0.00 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.76 3bbw n GLY 964 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3bbw n ASP 965 N -3.50 -2.28 0.00 1.61 3.85 -1.26 -5.28 116.55 109.69 3bbw n ASP 965 Ca -0.03 0.00 0.00 0.00 -0.71 0.00 0.00 54.79 54.05 3bbw n ASP 965 Cb 0.39 -0.46 0.00 0.00 -1.35 0.00 0.00 41.12 39.70 3bbw n ASP 965 CO 0.00 0.00 0.00 0.47 -1.01 0.00 0.00 177.20 176.66