#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 3.27 -0.02 0.00 -0.21 -1.26 -4.93 119.66 116.51 3bbw s GLN 684 Ca 0.00 -0.78 -0.16 0.00 0.02 0.00 0.00 55.36 54.43 3bbw s GLN 684 Cb 0.00 -3.72 -0.05 0.00 1.00 0.00 0.00 33.01 30.24 3bbw s GLN 684 CO 0.00 -0.51 0.45 -1.17 -2.12 0.00 0.00 175.29 171.94 3bbw s LEU 685 N 1.65 4.43 -0.20 2.90 2.96 -1.26 -4.99 118.68 124.17 3bbw s LEU 685 Ca 0.05 0.97 -0.14 0.00 -0.22 0.00 0.00 54.13 54.79 3bbw s LEU 685 Cb -0.18 -2.66 -0.04 0.00 0.50 0.00 0.00 46.19 43.81 3bbw s LEU 685 CO 0.08 0.24 0.30 -0.13 -1.32 0.00 0.00 176.35 175.52 3bbw s ARG 686 N -0.65 4.18 -0.16 1.98 0.52 -1.25 -5.02 118.95 118.55 3bbw s ARG 686 Ca 0.25 0.05 -0.18 0.00 -0.52 0.00 0.00 55.73 55.33 3bbw s ARG 686 Cb -0.17 -3.50 -0.04 0.00 0.52 0.00 0.00 34.95 31.77 3bbw s ARG 686 CO 0.13 0.08 0.50 0.42 0.02 0.00 0.00 175.30 176.46 3bbw s ILE 687 N 0.96 5.14 -0.11 1.52 -1.09 -1.26 -0.45 121.20 125.92 3bbw s ILE 687 Ca 0.15 0.97 0.02 0.00 -2.23 0.00 0.00 60.65 59.56 3bbw s ILE 687 Cb -0.14 -3.84 -0.01 0.00 -1.58 0.00 0.00 42.46 36.90 3bbw s ILE 687 CO 0.06 0.25 -0.17 -0.76 -1.23 0.00 0.00 174.94 173.08 3bbw s LEU 688 N 1.13 2.48 0.71 2.97 1.43 -0.05 -4.92 118.68 122.43 3bbw s LEU 688 Ca 0.25 -0.40 -0.16 0.00 -1.03 0.00 0.00 54.13 52.80 3bbw s LEU 688 Cb -0.15 -1.52 -0.01 0.00 0.03 0.00 0.00 46.19 44.54 3bbw s LEU 688 CO 0.10 0.19 0.90 1.17 0.23 0.00 0.00 176.35 178.94 3bbw n LYS 689 N 3.33 0.51 0.27 1.70 4.81 -1.26 -4.24 118.16 123.27 3bbw n LYS 689 Ca -0.18 0.23 0.14 0.00 -0.87 0.00 0.00 58.31 57.62 3bbw n LYS 689 Cb 0.53 -2.16 0.73 0.00 0.02 0.00 0.00 35.03 34.15 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 -0.20 0.00 -0.01 1.64 4.81 -1.99 -3.03 114.58 115.80 3bbw h GLU 690 Ca -0.47 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 3bbw h GLU 690 Cb 1.34 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.72 3bbw h GLU 690 CO 0.47 0.11 -0.05 0.25 -0.73 0.00 0.00 179.01 179.06 3bbw n THR 691 N -3.47 0.00 0.97 0.32 -2.24 -1.26 -3.75 114.28 104.85 3bbw n THR 691 Ca -0.01 -0.48 0.10 0.00 -2.27 0.00 0.00 64.05 61.39 3bbw n THR 691 Cb 0.26 1.12 0.52 0.00 -2.10 0.00 0.00 70.33 70.13 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 0.12 0.29 -4.50 -0.78 1.02 -1.15 -4.72 120.64 110.93 3bbw n GLU 692 Ca 0.03 0.09 -0.30 0.00 -0.02 0.00 0.00 57.16 56.96 3bbw n GLU 692 Cb 0.16 -1.50 -0.17 0.00 -0.02 0.00 0.00 31.44 29.91 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 -2.58 1.90 -0.09 -4.62 2.96 -1.22 -1.97 118.68 113.06 3bbw s LEU 693 Ca 0.19 -0.52 0.01 0.00 -0.22 0.00 0.00 54.13 53.60 3bbw s LEU 693 Cb 0.14 -1.26 0.02 0.00 0.50 0.00 0.00 46.19 45.59 3bbw s LEU 693 CO 0.32 0.04 -0.10 -0.54 -1.32 0.00 0.00 176.35 174.74 3bbw s LYS 694 N 0.97 1.65 0.33 1.98 1.02 -0.88 -4.93 119.74 119.88 3bbw s LYS 694 Ca -0.05 -0.34 -0.24 0.00 0.02 0.00 0.00 55.97 55.35 3bbw s LYS 694 Cb -0.15 -1.54 -0.10 0.00 -0.52 0.00 0.00 37.83 35.52 3bbw s LYS 694 CO -0.03 -0.14 0.92 1.03 -0.92 0.00 0.00 175.35 176.21 3bbw s ARG 695 N 1.24 4.47 0.00 1.68 0.52 -1.26 -1.31 118.95 124.28 3bbw s ARG 695 Ca -0.04 1.22 0.00 0.00 -0.52 0.00 0.00 55.73 56.40 3bbw s ARG 695 Cb -0.14 -2.69 0.00 0.00 0.52 0.00 0.00 34.95 32.64 3bbw s ARG 695 CO -0.03 0.23 0.00 0.28 0.02 0.00 0.00 175.30 175.80 3bbw n VAL 696 N 0.34 0.00 -4.52 3.52 0.31 -0.65 -4.93 118.33 112.40 3bbw n VAL 696 Ca 0.02 0.09 -0.26 0.00 -0.01 0.00 0.00 64.34 64.19 3bbw n VAL 696 Cb 0.51 -1.01 -0.07 0.00 -0.91 0.00 0.00 33.84 32.35 3bbw n VAL 696 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3bbw n LYS 697 N -1.65 0.58 -3.88 5.55 5.02 -1.23 -5.00 118.16 117.55 3bbw n LYS 697 Ca 0.00 -3.53 -0.35 0.00 -2.02 0.00 0.00 58.31 52.40 3bbw n LYS 697 Cb 0.00 1.90 -0.10 0.00 -0.02 0.00 0.00 35.03 36.80 3bbw n LYS 697 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3bbw s VAL 698 N -3.11 4.79 -0.13 -0.18 1.01 -1.26 -1.63 120.40 119.88 3bbw s VAL 698 Ca 0.21 -0.02 0.16 0.00 0.00 0.00 0.00 61.98 62.32 3bbw s VAL 698 Cb 0.01 -3.20 -0.24 0.00 0.00 0.00 0.00 36.38 32.95 3bbw s VAL 698 CO 0.15 0.40 0.34 0.18 0.00 0.00 0.00 175.10 176.17 3bbw n LEU 699 N 4.06 0.37 0.00 3.92 4.77 -1.11 -4.92 117.00 124.10 3bbw n LEU 699 Ca -0.16 0.18 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 3bbw n LEU 699 Cb 0.52 0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.95 3bbw n LEU 699 CO 0.34 0.43 0.00 0.61 -1.33 0.00 0.00 177.39 177.44 3bbw n GLY 700 N 1.65 2.23 3.41 -0.72 0.00 -1.25 -5.04 105.19 105.46 3bbw n GLY 700 Ca -0.25 0.02 -0.34 0.00 0.00 0.00 0.00 46.02 45.45 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 4.49 0.00 1.61 1.04 -1.26 -0.72 113.70 118.86 3bbw s SER 701 Ca 0.00 -0.26 0.00 0.00 0.48 0.00 0.00 55.95 56.17 3bbw s SER 701 Cb 0.00 -1.74 0.00 0.00 0.10 0.00 0.00 66.02 64.38 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 4.00 3.20 0.17 7.32 0.00 -1.07 -5.01 105.19 113.80 3bbw n GLY 702 Ca -0.18 -1.93 -0.10 0.00 0.00 0.00 0.00 46.02 43.81 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 -0.38 0.41 0.11 4.61 0.00 -2.03 -3.36 119.26 118.62 3bbw h ALA 703 Ca 0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 3bbw h ALA 703 Cb 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3bbw h ALA 703 CO 0.00 0.04 -0.05 0.74 0.00 0.00 0.00 179.25 179.98 3bbw h PHE 704 N 0.35 -0.13 0.00 0.00 -1.00 -1.96 -3.49 116.94 110.71 3bbw h PHE 704 Ca 0.10 -0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.88 3bbw h PHE 704 Cb 0.24 0.04 0.00 0.00 3.61 0.00 0.00 35.95 39.84 3bbw h PHE 704 CO 0.00 -0.08 0.00 0.41 -1.61 0.00 0.00 178.31 177.03 3bbw n GLY 705 N 1.40 5.16 3.01 -1.45 0.00 -1.26 -3.14 105.19 108.92 3bbw n GLY 705 Ca -0.02 -0.73 -0.13 0.00 0.00 0.00 0.00 46.02 45.14 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 1.37 -0.26 0.23 2.61 2.01 -0.83 -2.60 115.64 118.16 3bbw s THR 706 Ca 0.00 0.24 -0.30 0.00 0.31 0.00 0.00 61.69 61.94 3bbw s THR 706 Cb 0.00 -0.41 -0.09 0.00 0.01 0.00 0.00 72.50 72.02 3bbw s THR 706 CO 0.00 0.10 0.94 -0.69 -0.69 0.00 0.00 174.62 174.28 3bbw s VAL 707 N 1.96 4.11 -0.04 3.82 1.01 0.10 -3.10 120.40 128.26 3bbw s VAL 707 Ca -0.03 2.08 0.03 0.00 0.00 0.00 0.00 61.98 64.07 3bbw s VAL 707 Cb -0.11 -4.33 0.00 0.00 0.00 0.00 0.00 36.38 31.94 3bbw s VAL 707 CO -0.08 0.48 -0.13 -0.31 0.00 0.00 0.00 175.10 175.06 3bbw s TYR 708 N -1.08 1.41 0.25 5.22 1.51 -0.01 -2.75 117.35 121.90 3bbw s TYR 708 Ca 0.41 -0.42 -0.30 0.00 -1.01 0.00 0.00 57.07 55.76 3bbw s TYR 708 Cb -0.26 -0.98 -0.10 0.00 -0.11 0.00 0.00 41.96 40.51 3bbw s TYR 708 CO 0.32 -0.17 1.39 0.21 -1.11 0.00 0.00 175.55 176.19 3bbw s LYS 709 N 0.22 4.31 0.26 -0.62 2.20 -0.65 -1.16 119.74 124.30 3bbw s LYS 709 Ca -0.06 2.23 -0.06 0.00 -0.36 0.00 0.00 55.97 57.72 3bbw s LYS 709 Cb -0.11 -3.12 -0.01 0.00 -1.51 0.00 0.00 37.83 33.07 3bbw s LYS 709 CO 0.02 -0.34 0.37 0.20 -0.36 0.00 0.00 175.35 175.24 3bbw s GLY 710 N 0.21 1.15 0.04 5.54 0.00 0.11 -1.63 107.32 112.75 3bbw s GLY 710 Ca 0.57 -1.35 0.06 0.00 0.00 0.00 0.00 44.72 44.00 3bbw s GLY 710 CO 0.44 -1.00 -0.17 -0.26 0.00 0.00 0.00 173.10 172.11 3bbw s ILE 711 N -3.76 1.40 -0.10 0.90 -4.36 -0.43 0.01 121.20 114.86 3bbw s ILE 711 Ca 0.30 -1.12 0.00 0.00 -0.26 0.00 0.00 60.65 59.58 3bbw s ILE 711 Cb 0.02 -1.24 0.02 0.00 1.25 0.00 0.00 42.46 42.51 3bbw s ILE 711 CO 0.14 0.09 -0.09 0.86 0.24 0.00 0.00 174.94 176.18 3bbw s TRP 712 N -0.84 1.49 -0.48 1.37 -0.00 0.11 -2.07 118.94 118.52 3bbw s TRP 712 Ca 0.05 -0.69 -0.01 0.00 -0.00 0.00 0.00 56.10 55.45 3bbw s TRP 712 Cb -0.08 -1.19 0.13 0.00 -0.00 0.00 0.00 33.47 32.32 3bbw s TRP 712 CO 0.02 -0.45 0.26 0.08 -0.00 0.00 0.00 176.95 176.85 3bbw s VAL 713 N 1.39 3.12 0.76 5.86 1.01 -0.83 -1.97 120.40 129.75 3bbw s VAL 713 Ca -0.01 -2.58 -0.14 0.00 0.00 0.00 0.00 61.98 59.25 3bbw s VAL 713 Cb -0.13 -3.13 0.06 0.00 0.00 0.00 0.00 36.38 33.17 3bbw s VAL 713 CO -0.05 -0.75 1.20 -2.16 0.00 0.00 0.00 175.10 173.34 3bbw s PRO 714 N 0.52 1.94 0.11 2.72 0.04 -1.26 -4.70 135.00 134.36 3bbw s PRO 714 Ca 0.13 1.73 -0.32 0.00 0.04 0.00 0.00 61.00 62.58 3bbw s PRO 714 Cb -0.22 -1.81 -0.18 0.00 0.04 0.00 0.00 34.50 32.33 3bbw s PRO 714 CO -0.04 -1.98 0.73 0.39 0.04 0.00 0.00 177.00 176.14 3bbw n GLU 715 N -2.99 0.00 0.00 4.56 1.02 -1.26 -4.49 120.64 117.48 3bbw n GLU 715 Ca 0.13 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.27 3bbw n GLU 715 Cb 0.50 -1.17 0.00 0.00 -0.02 0.00 0.00 31.44 30.75 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 1.71 -0.42 2.59 0.62 0.00 -1.26 -4.80 105.19 103.63 3bbw n GLY 716 Ca 0.18 -1.89 -0.10 0.00 0.00 0.00 0.00 46.02 44.21 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 1.10 -0.01 1.61 4.07 -1.26 -4.98 120.64 121.17 3bbw n GLU 717 Ca 0.00 -2.66 -0.01 0.00 -0.06 0.00 0.00 57.16 54.42 3bbw n GLU 717 Cb 0.00 -0.96 -0.01 0.00 -0.06 0.00 0.00 31.44 30.41 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 -0.08 0.12 -4.38 6.31 -2.24 -1.26 -5.06 114.28 107.69 3bbw n THR 718 Ca 0.08 -0.06 -0.22 0.00 -2.27 0.00 0.00 64.05 61.59 3bbw n THR 718 Cb 0.78 -0.70 -0.13 0.00 -2.10 0.00 0.00 70.33 68.17 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 -2.04 1.36 -0.29 2.28 1.01 -1.26 -5.12 120.40 116.34 3bbw s VAL 719 Ca -0.02 -1.20 -0.03 0.00 0.00 0.00 0.00 61.98 60.73 3bbw s VAL 719 Cb 0.01 -1.23 0.11 0.00 0.00 0.00 0.00 36.38 35.27 3bbw s VAL 719 CO 0.06 0.00 0.18 -0.54 0.00 0.00 0.00 175.10 174.80 3bbw s LYS 720 N -1.40 0.24 -0.34 2.72 1.02 -1.26 -4.31 119.74 116.42 3bbw s LYS 720 Ca 0.03 -0.43 -0.23 0.00 0.02 0.00 0.00 55.97 55.36 3bbw s LYS 720 Cb -0.09 -1.00 0.00 0.00 -0.52 0.00 0.00 37.83 36.22 3bbw s LYS 720 CO 0.02 -1.03 0.76 0.42 -0.92 0.00 0.00 175.35 174.60 3bbw s ILE 721 N 2.15 4.78 0.00 2.17 1.01 -0.83 -4.83 121.20 125.65 3bbw s ILE 721 Ca 0.09 0.95 0.00 0.00 0.00 0.00 0.00 60.65 61.70 3bbw s ILE 721 Cb -0.15 -4.16 0.00 0.00 0.01 0.00 0.00 42.46 38.15 3bbw s ILE 721 CO -0.35 -0.34 0.00 -2.65 0.00 0.00 0.00 174.94 171.60 3bbw n PRO 722 N 6.28 0.00 -3.93 2.79 -0.02 -1.25 0.06 135.00 138.93 3bbw n PRO 722 Ca 0.03 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.42 3bbw n PRO 722 Cb 0.48 0.00 -0.08 0.00 -0.02 0.00 0.00 33.50 33.88 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 0.14 -0.16 -1.45 0.11 0.10 -3.76 120.40 115.39 3bbw s VAL 723 Ca 0.00 -1.36 0.01 0.00 -2.93 0.00 0.00 61.98 57.70 3bbw s VAL 723 Cb 0.00 -1.49 0.01 0.00 -1.53 0.00 0.00 36.38 33.37 3bbw s VAL 723 CO 0.00 -0.64 -0.18 0.00 -3.33 0.00 0.00 175.10 170.95 3bbw s ALA 724 N -3.90 2.38 -0.11 1.54 0.00 0.35 0.06 121.76 122.08 3bbw s ALA 724 Ca 0.08 -1.10 -0.01 0.00 0.00 0.00 0.00 51.96 50.94 3bbw s ALA 724 Cb 0.05 -1.14 -0.02 0.00 0.00 0.00 0.00 23.12 22.01 3bbw s ALA 724 CO -0.08 -0.10 -0.08 0.42 0.00 0.00 0.00 175.76 175.91 3bbw s ILE 725 N 0.92 3.51 -0.46 0.00 1.01 -0.31 -0.75 121.20 125.13 3bbw s ILE 725 Ca -0.04 -0.52 0.02 0.00 0.00 0.00 0.00 60.65 60.12 3bbw s ILE 725 Cb -0.15 -2.47 0.14 0.00 0.01 0.00 0.00 42.46 39.98 3bbw s ILE 725 CO -0.03 0.54 0.25 -0.75 0.00 0.00 0.00 174.94 174.95 3bbw s LYS 726 N -0.12 1.42 -0.22 2.79 2.20 -0.55 -0.83 119.74 124.43 3bbw s LYS 726 Ca 0.01 -2.13 -0.23 0.00 -0.36 0.00 0.00 55.97 53.25 3bbw s LYS 726 Cb -0.13 -2.51 -0.01 0.00 -1.51 0.00 0.00 37.83 33.66 3bbw s LYS 726 CO 0.03 -1.16 0.76 0.42 -0.36 0.00 0.00 175.35 175.04 3bbw s ILE 727 N 0.21 4.90 -0.27 5.43 1.01 -1.18 -2.16 121.20 129.15 3bbw s ILE 727 Ca 0.18 1.43 -0.14 0.00 0.00 0.00 0.00 60.65 62.12 3bbw s ILE 727 Cb -0.24 -4.06 -0.04 0.00 0.01 0.00 0.00 42.46 38.13 3bbw s ILE 727 CO -0.00 -0.00 0.31 -0.76 0.00 0.00 0.00 174.94 174.49 3bbw s LEU 728 N 2.49 4.04 -0.29 2.97 1.43 -1.00 -1.97 118.68 126.35 3bbw s LEU 728 Ca 0.33 0.21 -0.07 0.00 -1.03 0.00 0.00 54.13 53.56 3bbw s LEU 728 Cb -0.16 -2.33 0.00 0.00 0.03 0.00 0.00 46.19 43.74 3bbw s LEU 728 CO 0.09 -0.13 0.08 0.21 0.23 0.00 0.00 176.35 176.83 3bbw s ASN 729 N 1.64 5.15 0.00 2.29 2.47 -1.19 -4.65 114.94 120.65 3bbw s ASN 729 Ca 0.13 -0.64 0.00 0.00 0.42 0.00 0.00 52.86 52.76 3bbw s ASN 729 Cb -0.16 -1.89 0.00 0.00 -1.45 0.00 0.00 41.25 37.75 3bbw s ASN 729 CO 0.10 -0.18 0.00 -0.62 -3.72 0.00 0.00 177.10 172.68 3bbw n GLU 730 N 4.88 0.00 0.00 0.43 4.71 -1.26 -4.87 120.64 124.53 3bbw n GLU 730 Ca -0.15 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.00 3bbw n GLU 730 Cb 0.48 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.91 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 3.71 0.00 3.74 0.62 0.00 -1.26 -5.28 105.19 106.72 3bbw n GLY 733 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 4.29 0.37 1.61 0.04 -1.26 -5.07 135.00 134.98 3bbw s PRO 734 Ca 0.00 0.46 0.05 0.00 0.04 0.00 0.00 61.00 61.56 3bbw s PRO 734 Cb 0.00 -3.40 -0.01 0.00 0.04 0.00 0.00 34.50 31.13 3bbw s PRO 734 CO 0.00 0.24 0.53 0.15 0.04 0.00 0.00 177.00 177.95 3bbw s LYS 735 N 0.36 3.07 -0.51 4.56 1.02 -1.26 -4.70 119.74 122.29 3bbw s LYS 735 Ca 0.26 -0.91 -0.29 0.00 0.02 0.00 0.00 55.97 55.05 3bbw s LYS 735 Cb -0.16 -2.75 -0.30 0.00 -0.52 0.00 0.00 37.83 34.10 3bbw s LYS 735 CO 0.11 -0.05 1.82 0.00 -0.92 0.00 0.00 175.35 176.32 3bbw n ALA 736 N -1.76 0.79 -2.36 5.17 0.00 -1.26 -4.57 120.51 116.52 3bbw n ALA 736 Ca 0.01 -2.58 -0.20 0.00 0.00 0.00 0.00 53.44 50.68 3bbw n ALA 736 Cb 0.58 -3.58 -0.02 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 7.43 5.55 0.17 0.00 -0.87 -1.26 -4.97 114.94 120.99 3bbw s ASN 737 Ca 0.73 -0.42 -0.12 0.00 -1.57 0.00 0.00 52.86 51.48 3bbw s ASN 737 Cb 0.07 -0.94 0.07 0.00 -0.02 0.00 0.00 41.25 40.43 3bbw s ASN 737 CO 0.27 -0.50 1.71 0.58 -2.57 0.00 0.00 177.10 176.58 3bbw h VAL 738 N 0.98 1.24 -0.90 1.60 2.07 -1.98 -0.43 116.25 118.82 3bbw h VAL 738 Ca -0.44 -0.77 0.13 0.00 0.82 0.00 0.00 66.70 66.44 3bbw h VAL 738 Cb 1.26 0.64 -0.09 0.00 -1.52 0.00 0.00 31.29 31.59 3bbw h VAL 738 CO 0.54 0.29 0.52 -0.33 0.02 0.00 0.00 177.57 178.62 3bbw h GLU 739 N 0.82 0.78 0.71 1.57 5.08 -1.93 0.29 114.58 121.90 3bbw h GLU 739 Ca 0.19 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.47 3bbw h GLU 739 Cb 0.25 -0.18 0.01 0.00 0.50 0.00 0.00 28.75 29.33 3bbw h GLU 739 CO -0.01 0.52 -0.34 0.35 -1.00 0.00 0.00 179.01 178.52 3bbw h PHE 740 N 0.80 -0.89 -0.91 4.33 3.57 -1.75 -2.98 116.94 119.11 3bbw h PHE 740 Ca 0.46 -0.02 0.22 0.00 3.53 0.00 0.00 57.97 62.17 3bbw h PHE 740 Cb 0.53 0.29 -0.06 0.00 2.79 0.00 0.00 35.95 39.50 3bbw h PHE 740 CO -0.05 -0.53 0.61 0.52 -2.23 0.00 0.00 178.31 176.64 3bbw h MET 741 N -1.09 0.30 -0.06 1.11 2.86 -0.02 -0.94 114.93 117.09 3bbw h MET 741 Ca -0.10 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.52 3bbw h MET 741 Cb 0.76 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 32.35 3bbw h MET 741 CO 0.16 0.20 0.02 -0.44 1.06 0.00 0.00 176.91 177.92 3bbw h ASP 742 N 0.31 0.08 0.67 1.22 5.19 -0.43 -2.17 116.42 121.30 3bbw h ASP 742 Ca 0.47 -0.16 -0.11 0.00 -0.62 0.00 0.00 57.03 56.62 3bbw h ASP 742 Cb 1.33 -0.02 -0.02 0.00 0.18 0.00 0.00 39.33 40.80 3bbw h ASP 742 CO -0.15 0.21 -0.53 -0.33 -3.12 0.00 0.00 179.24 175.33 3bbw h GLU 743 N -0.06 0.00 -0.11 3.56 4.39 -1.05 -2.49 114.58 118.83 3bbw h GLU 743 Ca 0.02 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.70 3bbw h GLU 743 Cb 0.16 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.80 3bbw h GLU 743 CO -0.00 0.53 0.00 0.00 -1.16 0.00 0.00 179.01 178.38 3bbw h ALA 744 N 1.47 0.14 -0.38 3.43 0.00 -1.31 -2.07 119.26 120.55 3bbw h ALA 744 Ca -0.01 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 54.78 3bbw h ALA 744 Cb 1.00 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.70 3bbw h ALA 744 CO 0.07 -0.18 0.09 -0.07 0.00 0.00 0.00 179.25 179.16 3bbw h LEU 745 N -0.08 0.03 -0.40 0.00 3.38 -1.20 0.51 115.31 117.55 3bbw h LEU 745 Ca 0.03 0.06 0.08 0.00 0.09 0.00 0.00 57.88 58.14 3bbw h LEU 745 Cb 0.34 0.08 -0.07 0.00 0.09 0.00 0.00 40.66 41.10 3bbw h LEU 745 CO 0.00 0.05 -0.06 0.40 0.09 0.00 0.00 178.44 178.92 3bbw h ILE 746 N 0.22 0.63 -0.21 1.22 2.04 -1.40 -0.29 117.51 119.71 3bbw h ILE 746 Ca 0.18 -0.01 -0.08 0.00 1.00 0.00 0.00 64.86 65.95 3bbw h ILE 746 Cb 0.21 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 3bbw h ILE 746 CO -0.23 0.01 -0.22 0.24 0.00 0.00 0.00 178.15 177.94 3bbw h MET 747 N 0.04 0.38 -0.08 2.37 2.86 -0.10 0.17 114.93 120.56 3bbw h MET 747 Ca 0.20 -0.13 -0.02 0.00 -2.06 0.00 0.00 59.70 57.69 3bbw h MET 747 Cb 0.30 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.92 3bbw h MET 747 CO -0.39 0.59 -0.06 0.00 1.06 0.00 0.00 176.91 178.11 3bbw h ALA 748 N 1.43 1.75 0.00 6.32 0.00 0.61 -2.09 119.26 127.28 3bbw h ALA 748 Ca 0.06 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3bbw h ALA 748 Cb 0.59 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3bbw h ALA 748 CO 0.04 0.19 0.00 1.03 0.00 0.00 0.00 179.25 180.51 3bbw h SER 749 N 0.12 0.00 -2.77 0.00 0.87 0.11 -3.45 113.55 108.42 3bbw h SER 749 Ca 0.03 0.00 -0.53 0.00 -1.23 0.00 0.00 61.79 60.06 3bbw h SER 749 Cb 0.18 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.17 3bbw h SER 749 CO 0.01 0.00 0.93 -0.04 -0.53 0.00 0.00 176.83 177.20 3bbw s MET 750 N -3.25 4.22 -0.23 2.24 -1.94 -0.78 -4.98 119.30 114.58 3bbw s MET 750 Ca 0.07 2.26 -0.03 0.00 -1.71 0.00 0.00 55.69 56.28 3bbw s MET 750 Cb 0.08 -3.48 0.12 0.00 2.01 0.00 0.00 34.83 33.55 3bbw s MET 750 CO 0.62 -0.66 0.34 0.34 -0.01 0.00 0.00 175.02 175.65 3bbw s ASP 751 N 1.98 0.53 0.00 3.03 2.15 -1.26 -4.62 116.67 118.49 3bbw s ASP 751 Ca 0.71 0.10 -0.04 0.00 0.43 0.00 0.00 52.55 53.75 3bbw s ASP 751 Cb -0.39 0.93 -0.00 0.00 -0.30 0.00 0.00 42.92 43.16 3bbw s ASP 751 CO 0.31 -0.31 0.07 -2.28 -0.17 0.00 0.00 175.17 172.79 3bbw s HIS 752 N 2.49 0.09 -0.92 -5.34 2.46 -1.26 -4.96 115.29 107.85 3bbw s HIS 752 Ca 0.11 -0.20 -0.26 0.00 0.47 0.00 0.00 55.06 55.19 3bbw s HIS 752 Cb -0.15 -0.08 -0.22 0.00 -0.13 0.00 0.00 32.58 32.00 3bbw s HIS 752 CO -0.15 -0.21 2.54 -0.35 -2.47 0.00 0.00 174.74 174.11 3bbw n PRO 753 N 1.82 0.18 0.00 2.88 -0.04 -1.26 -3.31 135.00 135.27 3bbw n PRO 753 Ca -0.21 -0.04 0.00 0.00 -0.04 0.00 0.00 63.50 63.21 3bbw n PRO 753 Cb 0.56 -1.79 0.00 0.00 -0.04 0.00 0.00 33.50 32.23 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 10.75 0.00 -4.30 0.54 8.25 -1.26 -4.58 115.22 124.62 3bbw n HIS 754 Ca 0.61 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.90 3bbw n HIS 754 Cb 0.14 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.11 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 2.06 -0.39 2.41 1.43 -1.21 -1.79 118.68 121.19 3bbw s LEU 755 Ca 0.00 -0.22 -0.26 0.00 -1.03 0.00 0.00 54.13 52.62 3bbw s LEU 755 Cb 0.00 -0.41 0.02 0.00 0.03 0.00 0.00 46.19 45.82 3bbw s LEU 755 CO 0.00 0.06 0.93 -0.69 0.23 0.00 0.00 176.35 176.88 3bbw s VAL 756 N -0.39 4.55 0.11 -1.59 1.01 0.66 -4.27 120.40 120.48 3bbw s VAL 756 Ca 0.02 1.11 -0.30 0.00 0.00 0.00 0.00 61.98 62.80 3bbw s VAL 756 Cb -0.04 -4.36 -0.06 0.00 0.00 0.00 0.00 36.38 31.91 3bbw s VAL 756 CO -0.00 -0.61 1.12 -0.60 0.00 0.00 0.00 175.10 175.01 3bbw s ARG 757 N 3.56 4.53 0.09 2.72 3.52 -1.26 -4.91 118.95 127.20 3bbw s ARG 757 Ca 0.38 1.69 -0.31 0.00 -0.13 0.00 0.00 55.73 57.36 3bbw s ARG 757 Cb -0.11 -3.33 -0.07 0.00 -1.56 0.00 0.00 34.95 29.87 3bbw s ARG 757 CO 0.21 -0.06 1.40 -1.17 -0.81 0.00 0.00 175.30 174.87 3bbw s LEU 758 N 0.37 4.36 -0.20 -0.88 2.96 -1.26 -4.46 118.68 119.57 3bbw s LEU 758 Ca 0.53 2.29 -0.11 0.00 -0.22 0.00 0.00 54.13 56.62 3bbw s LEU 758 Cb -0.28 -3.58 -0.20 0.00 0.50 0.00 0.00 46.19 42.63 3bbw s LEU 758 CO 0.32 -0.68 0.11 0.18 -1.32 0.00 0.00 176.35 174.96 3bbw n LEU 759 N 4.30 2.33 -3.91 -0.68 4.77 0.19 -4.75 117.00 119.24 3bbw n LEU 759 Ca 0.12 0.25 -0.09 0.00 -0.03 0.00 0.00 56.01 56.25 3bbw n LEU 759 Cb 0.42 -0.99 -0.02 0.00 -2.33 0.00 0.00 43.42 40.51 3bbw n LEU 759 CO 0.59 0.63 0.37 -0.83 -1.33 0.00 0.00 177.39 176.82 3bbw s GLY 760 N -5.48 0.44 -0.02 -0.72 0.00 -0.68 -3.79 107.32 97.07 3bbw s GLY 760 Ca -0.29 -0.77 0.01 0.00 0.00 0.00 0.00 44.72 43.67 3bbw s GLY 760 CO 0.64 -0.43 -0.02 0.14 0.00 0.00 0.00 173.10 173.44 3bbw s VAL 761 N -3.32 0.26 0.22 1.40 1.01 0.41 -0.26 120.40 120.11 3bbw s VAL 761 Ca 0.18 -0.02 0.08 0.00 0.00 0.00 0.00 61.98 62.22 3bbw s VAL 761 Cb -0.04 -0.30 -0.04 0.00 0.00 0.00 0.00 36.38 36.01 3bbw s VAL 761 CO 0.11 0.13 0.06 0.00 0.00 0.00 0.00 175.10 175.40 3bbw n LEU 763 N -0.68 0.12 -0.03 0.00 4.77 -1.24 -0.77 117.00 119.17 3bbw n LEU 763 Ca -0.08 -0.33 -0.13 0.00 -0.03 0.00 0.00 56.01 55.45 3bbw n LEU 763 Cb 0.57 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.57 3bbw n LEU 763 CO 0.41 0.03 0.63 0.28 -1.33 0.00 0.00 177.39 177.41 3bbw h SER 764 N 0.00 0.14 0.08 -1.43 0.02 -1.97 -3.26 113.55 107.14 3bbw h SER 764 Ca 0.00 -0.48 -0.25 0.00 -0.84 0.00 0.00 61.79 60.23 3bbw h SER 764 Cb 0.06 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 3bbw h SER 764 CO 0.00 0.59 -1.29 1.55 -1.14 0.00 0.00 176.83 176.53 3bbw h PRO 765 N -0.31 0.18 0.00 3.45 0.14 -1.98 -3.50 132.00 129.98 3bbw h PRO 765 Ca 0.01 -0.30 0.00 0.00 0.14 0.00 0.00 66.00 65.85 3bbw h PRO 765 Cb 0.54 0.11 0.00 0.00 0.14 0.00 0.00 31.00 31.80 3bbw h PRO 765 CO 0.01 1.14 0.00 0.25 0.14 0.00 0.00 178.00 179.55 3bbw n THR 766 N -4.06 0.00 -2.61 1.56 -2.24 -1.23 -5.15 114.28 100.55 3bbw n THR 766 Ca -0.25 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.11 3bbw n THR 766 Cb 0.83 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 69.03 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 -2.93 4.58 -0.10 2.28 1.09 -1.26 -3.67 121.20 121.19 3bbw s ILE 767 Ca 0.00 1.85 -0.03 0.00 -1.10 0.00 0.00 60.65 61.37 3bbw s ILE 767 Cb 0.00 -4.19 0.05 0.00 -1.06 0.00 0.00 42.46 37.26 3bbw s ILE 767 CO 0.00 0.14 0.10 -1.10 -0.10 0.00 0.00 174.94 173.98 3bbw s GLN 768 N 1.07 0.00 -0.22 2.79 -0.21 0.05 -2.39 119.66 120.75 3bbw s GLN 768 Ca 0.54 0.26 -0.15 0.00 0.02 0.00 0.00 55.36 56.03 3bbw s GLN 768 Cb -0.24 -0.93 -0.04 0.00 1.00 0.00 0.00 33.01 32.80 3bbw s GLN 768 CO 0.28 -0.45 0.36 -0.51 -2.12 0.00 0.00 175.29 172.85 3bbw s LEU 769 N 2.19 4.13 -0.17 2.90 1.43 -0.92 -0.70 118.68 127.54 3bbw s LEU 769 Ca 0.04 0.43 -0.01 0.00 -1.03 0.00 0.00 54.13 53.56 3bbw s LEU 769 Cb -0.13 -2.45 -0.01 0.00 0.03 0.00 0.00 46.19 43.63 3bbw s LEU 769 CO -0.06 -0.07 -0.11 -0.69 0.23 0.00 0.00 176.35 175.65 3bbw s VAL 770 N 1.39 2.98 -0.00 -1.59 1.01 0.63 -1.48 120.40 123.34 3bbw s VAL 770 Ca 0.17 -0.65 0.04 0.00 0.00 0.00 0.00 61.98 61.54 3bbw s VAL 770 Cb -0.15 -2.30 -0.01 0.00 0.00 0.00 0.00 36.38 33.92 3bbw s VAL 770 CO 0.08 0.49 -0.14 -0.89 0.00 0.00 0.00 175.10 174.63 3bbw s THR 771 N 0.96 1.13 0.31 3.92 2.01 0.07 0.54 115.64 124.57 3bbw s THR 771 Ca -0.02 -0.66 -0.30 0.00 0.31 0.00 0.00 61.69 61.03 3bbw s THR 771 Cb -0.15 -0.95 -0.12 0.00 0.01 0.00 0.00 72.50 71.30 3bbw s THR 771 CO -0.01 0.28 1.59 1.67 -0.69 0.00 0.00 174.62 177.46 3bbw n GLN 772 N 2.63 2.72 -2.38 4.92 7.27 -1.26 0.13 117.38 131.41 3bbw n GLN 772 Ca -0.15 0.96 -0.42 0.00 0.07 0.00 0.00 57.00 57.47 3bbw n GLN 772 Cb 0.55 -2.74 -0.03 0.00 2.41 0.00 0.00 30.24 30.43 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 -0.69 4.36 -0.39 1.69 0.20 -1.25 -4.62 118.68 118.00 3bbw s LEU 773 Ca 0.63 2.05 -0.17 0.00 0.69 0.00 0.00 54.13 57.33 3bbw s LEU 773 Cb -0.49 -3.58 0.01 0.00 -0.43 0.00 0.00 46.19 41.70 3bbw s LEU 773 CO 0.50 -0.51 0.42 -0.04 -0.29 0.00 0.00 176.35 176.43 3bbw s MET 774 N 1.19 3.31 0.17 1.98 -1.94 -1.26 -4.96 119.30 117.79 3bbw s MET 774 Ca 0.60 -0.59 -0.09 0.00 -1.71 0.00 0.00 55.69 53.90 3bbw s MET 774 Cb -0.30 -3.90 0.04 0.00 2.01 0.00 0.00 34.83 32.68 3bbw s MET 774 CO 0.29 -0.72 1.57 -1.00 -0.01 0.00 0.00 175.02 175.15 3bbw h PRO 775 N 8.61 1.00 0.00 2.03 0.13 -1.87 -1.69 132.00 140.21 3bbw h PRO 775 Ca -0.28 -0.40 0.00 0.00 -0.87 0.00 0.00 66.00 64.45 3bbw h PRO 775 Cb 1.12 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.21 3bbw h PRO 775 CO 0.76 1.08 0.00 0.72 -0.23 0.00 0.00 178.00 180.33 3bbw n HIS 776 N -4.12 0.00 -4.86 1.56 8.25 -1.25 -5.01 115.22 109.78 3bbw n HIS 776 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 3bbw n HIS 776 Cb 0.44 -0.31 0.00 0.00 1.12 0.00 0.00 29.99 31.24 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 0.88 0.53 3.77 -1.41 0.00 -0.64 -4.81 105.19 103.51 3bbw n GLY 777 Ca 0.11 -0.90 -0.38 0.00 0.00 0.00 0.00 46.02 44.84 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 3.21 -0.06 -0.73 0.00 5.85 -1.14 -0.90 115.31 121.54 3bbw h LEU 779 Ca -0.47 0.08 0.09 0.00 0.84 0.00 0.00 57.88 58.42 3bbw h LEU 779 Cb 1.21 0.13 -0.11 0.00 0.37 0.00 0.00 40.66 42.26 3bbw h LEU 779 CO 0.65 0.01 -0.52 0.25 -0.34 0.00 0.00 178.44 178.48 3bbw h LEU 780 N 0.18 -1.83 -1.33 2.25 5.85 -1.41 1.15 115.31 120.18 3bbw h LEU 780 Ca 0.21 0.28 -0.01 0.00 0.84 0.00 0.00 57.88 59.21 3bbw h LEU 780 Cb 0.29 0.81 -0.03 0.00 0.37 0.00 0.00 40.66 42.10 3bbw h LEU 780 CO -0.31 -0.31 0.30 -0.08 -0.34 0.00 0.00 178.44 177.70 3bbw h GLU 781 N -0.17 0.76 -0.34 1.25 4.57 -1.76 -3.14 114.58 115.75 3bbw h GLU 781 Ca 0.16 -0.08 -0.02 0.00 -1.18 0.00 0.00 59.36 58.25 3bbw h GLU 781 Cb 0.52 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 28.94 3bbw h GLU 781 CO -0.79 0.56 0.16 -0.92 -1.18 0.00 0.00 179.01 176.84 3bbw h TYR 782 N 0.77 0.51 0.00 0.92 3.20 0.27 -2.43 116.97 120.21 3bbw h TYR 782 Ca 0.20 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.04 3bbw h TYR 782 Cb 0.03 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.14 3bbw h TYR 782 CO 0.00 0.45 0.00 -0.39 -1.64 0.00 0.00 178.16 176.58 3bbw h VAL 783 N 0.42 0.00 0.15 1.81 -1.51 -1.04 -2.48 116.25 113.59 3bbw h VAL 783 Ca 0.12 -0.50 -0.01 0.00 -1.23 0.00 0.00 66.70 65.08 3bbw h VAL 783 Cb 0.14 1.43 0.00 0.00 -2.13 0.00 0.00 31.29 30.74 3bbw h VAL 783 CO -0.01 0.00 -0.07 -0.74 -1.23 0.00 0.00 177.57 175.52 3bbw h HIS 784 N 0.00 -0.18 0.00 5.19 -0.00 -1.14 -2.78 115.15 116.24 3bbw h HIS 784 Ca 0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.36 3bbw h HIS 784 Cb 0.56 0.06 -0.00 0.00 -0.00 0.00 0.00 27.41 28.03 3bbw h HIS 784 CO 0.00 0.25 -0.03 1.49 -0.00 0.00 0.00 177.93 179.64 3bbw h GLU 785 N -0.89 0.00 0.00 5.26 4.81 -1.16 -1.93 114.58 120.66 3bbw h GLU 785 Ca -0.02 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 3bbw h GLU 785 Cb 0.52 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.90 3bbw h GLU 785 CO 0.03 0.03 -0.01 0.72 -0.73 0.00 0.00 179.01 179.05 3bbw n HIS 786 N -3.20 0.00 -0.02 0.92 8.25 -0.96 -4.83 115.22 115.39 3bbw n HIS 786 Ca -0.01 -0.58 0.01 0.00 -0.26 0.00 0.00 57.72 56.88 3bbw n HIS 786 Cb 0.22 -0.07 0.02 0.00 1.12 0.00 0.00 29.99 31.28 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 -0.67 -0.00 0.00 -0.41 4.81 -0.73 1.00 118.16 122.15 3bbw n LYS 787 Ca 0.04 0.07 0.12 0.00 -0.87 0.00 0.00 58.31 57.66 3bbw n LYS 787 Cb 0.36 -0.11 0.21 0.00 0.02 0.00 0.00 35.03 35.50 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 -3.63 0.74 -0.54 3.14 3.85 -1.26 -4.06 116.55 114.78 3bbw n ASP 788 Ca 0.01 -0.53 0.06 0.00 -0.71 0.00 0.00 54.79 53.62 3bbw n ASP 788 Cb 0.04 0.34 0.16 0.00 -1.35 0.00 0.00 41.12 40.32 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 -1.27 3.03 -4.35 -1.12 3.02 0.28 -4.95 115.26 109.89 3bbw n ASN 789 Ca 0.07 -2.51 -0.42 0.00 -0.03 0.00 0.00 54.58 51.69 3bbw n ASN 789 Cb 0.34 -0.33 -0.10 0.00 -0.61 0.00 0.00 39.78 39.08 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 -1.90 4.69 1.03 2.41 1.01 -1.17 -5.09 121.20 122.19 3bbw s ILE 790 Ca 0.27 -1.07 -0.17 0.00 0.00 0.00 0.00 60.65 59.68 3bbw s ILE 790 Cb 0.20 -3.74 0.26 0.00 0.01 0.00 0.00 42.46 39.18 3bbw s ILE 790 CO 0.09 -0.41 0.96 0.61 0.00 0.00 0.00 174.94 176.19 3bbw n GLY 791 N 5.04 -2.60 0.22 6.18 0.00 -1.26 -4.97 105.19 107.80 3bbw n GLY 791 Ca -0.11 -1.51 -0.11 0.00 0.00 0.00 0.00 46.02 44.28 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 0.72 -0.44 1.61 4.64 -1.93 -3.30 113.55 112.47 3bbw h SER 792 Ca -0.36 -0.36 0.08 0.00 -0.47 0.00 0.00 61.79 60.68 3bbw h SER 792 Cb 1.07 -0.20 -0.09 0.00 -0.31 0.00 0.00 62.40 62.87 3bbw h SER 792 CO 0.23 0.91 -0.38 -0.61 -0.87 0.00 0.00 176.83 176.12 3bbw h GLN 793 N 0.51 -0.26 -1.00 4.77 5.75 -1.94 0.46 115.11 123.40 3bbw h GLN 793 Ca 0.09 0.02 0.05 0.00 -0.15 0.00 0.00 58.65 58.66 3bbw h GLN 793 Cb 0.60 0.06 -0.06 0.00 1.07 0.00 0.00 27.48 29.14 3bbw h GLN 793 CO 0.04 -0.18 0.65 -0.07 -2.65 0.00 0.00 178.83 176.62 3bbw h LEU 794 N -0.27 1.07 -0.15 -2.39 3.38 -1.96 -0.85 115.31 114.14 3bbw h LEU 794 Ca 0.17 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 3bbw h LEU 794 Cb 0.56 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 3bbw h LEU 794 CO -0.58 0.71 0.06 -0.07 0.09 0.00 0.00 178.44 178.64 3bbw h LEU 795 N 1.22 0.21 -0.51 1.67 3.38 -1.00 0.28 115.31 120.56 3bbw h LEU 795 Ca 0.41 -0.17 -0.13 0.00 0.09 0.00 0.00 57.88 58.08 3bbw h LEU 795 Cb 0.08 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3bbw h LEU 795 CO -0.15 0.32 -0.22 -0.07 0.09 0.00 0.00 178.44 178.41 3bbw h LEU 796 N 0.07 1.00 -0.48 1.67 3.38 -1.32 -3.00 115.31 116.64 3bbw h LEU 796 Ca 0.05 -0.38 0.06 0.00 0.09 0.00 0.00 57.88 57.70 3bbw h LEU 796 Cb 0.18 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.60 3bbw h LEU 796 CO -0.00 1.18 0.17 0.78 0.09 0.00 0.00 178.44 180.65 3bbw h ASN 797 N 0.84 0.17 -0.66 -0.43 2.35 -0.59 -1.26 115.58 116.01 3bbw h ASN 797 Ca 0.11 0.06 0.06 0.00 -0.55 0.00 0.00 56.30 55.97 3bbw h ASN 797 Cb 0.80 0.04 -0.05 0.00 0.05 0.00 0.00 38.32 39.15 3bbw h ASN 797 CO 0.07 0.13 0.37 -0.50 -1.65 0.00 0.00 177.43 175.84 3bbw h TRP 798 N 0.34 0.68 -0.14 1.19 6.55 -0.47 -1.74 115.95 122.36 3bbw h TRP 798 Ca 0.23 0.02 0.02 0.00 0.95 0.00 0.00 58.89 60.11 3bbw h TRP 798 Cb 0.23 -0.21 -0.03 0.00 -0.86 0.00 0.00 29.16 28.29 3bbw h TRP 798 CO -0.16 0.33 -0.25 0.00 -1.05 0.00 0.00 178.44 177.31 3bbw h VAL 800 N -0.20 0.22 -0.25 0.00 2.07 -1.00 0.01 116.25 117.10 3bbw h VAL 800 Ca 0.03 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.52 3bbw h VAL 800 Cb 0.28 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 3bbw h VAL 800 CO -0.24 0.00 0.10 1.56 0.02 0.00 0.00 177.57 179.01 3bbw h GLN 801 N 0.03 0.37 -0.56 1.57 4.20 -0.40 0.40 115.11 120.72 3bbw h GLN 801 Ca 0.41 -0.07 -0.08 0.00 0.06 0.00 0.00 58.65 58.97 3bbw h GLN 801 Cb 0.68 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.37 3bbw h GLN 801 CO -0.79 0.41 0.02 0.82 -0.67 0.00 0.00 178.83 178.62 3bbw h ILE 802 N 0.25 1.25 0.30 2.54 2.04 -0.71 0.41 117.51 123.61 3bbw h ILE 802 Ca 0.08 -1.06 0.00 0.00 1.00 0.00 0.00 64.86 64.88 3bbw h ILE 802 Cb 0.18 0.81 -0.03 0.00 -0.74 0.00 0.00 36.82 37.03 3bbw h ILE 802 CO -0.01 0.38 -0.47 0.00 0.00 0.00 0.00 178.15 178.06 3bbw h ALA 803 N 1.14 -0.95 -0.92 1.87 0.00 0.56 0.29 119.26 121.25 3bbw h ALA 803 Ca 0.16 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.97 3bbw h ALA 803 Cb 0.48 0.72 -0.05 0.00 0.00 0.00 0.00 17.79 18.95 3bbw h ALA 803 CO 0.02 -1.09 0.61 0.87 0.00 0.00 0.00 179.25 179.66 3bbw h LYS 804 N -0.83 1.15 -0.71 0.00 1.57 0.06 -0.31 116.57 117.49 3bbw h LYS 804 Ca -0.02 -0.07 0.15 0.00 -1.87 0.00 0.00 60.65 58.84 3bbw h LYS 804 Cb 0.77 -0.26 -0.13 0.00 0.08 0.00 0.00 32.23 32.70 3bbw h LYS 804 CO -0.16 0.76 -0.07 0.78 -0.57 0.00 0.00 179.45 180.19 3bbw h GLY 805 N 1.18 0.68 1.33 3.86 0.00 0.74 -1.71 103.07 109.15 3bbw h GLY 805 Ca 0.36 0.15 -0.23 0.00 0.00 0.00 0.00 47.33 47.61 3bbw h GLY 805 CO -0.10 -0.27 -0.89 -0.33 0.00 0.00 0.00 176.54 174.95 3bbw h MET 806 N 0.06 0.63 -0.94 4.80 2.86 0.48 -3.16 114.93 119.66 3bbw h MET 806 Ca 0.37 -0.59 0.13 0.00 -2.06 0.00 0.00 59.70 57.55 3bbw h MET 806 Cb 0.61 0.15 -0.15 0.00 0.06 0.00 0.00 31.60 32.28 3bbw h MET 806 CO -0.67 1.20 -0.43 0.52 1.06 0.00 0.00 176.91 178.60 3bbw h MET 807 N 0.39 -0.03 0.07 1.72 2.07 -0.19 0.49 114.93 119.46 3bbw h MET 807 Ca -0.08 0.00 0.02 0.00 -2.07 0.00 0.00 59.70 57.58 3bbw h MET 807 Cb 1.52 0.01 -0.04 0.00 -1.87 0.00 0.00 31.60 31.22 3bbw h MET 807 CO 0.17 -0.02 -0.24 -0.92 1.07 0.00 0.00 176.91 176.97 3bbw h TYR 808 N -0.03 -0.64 -0.42 -0.22 3.20 -1.46 0.75 116.97 118.15 3bbw h TYR 808 Ca 0.29 0.02 0.08 0.00 3.14 0.00 0.00 58.73 62.26 3bbw h TYR 808 Cb 0.56 0.27 -0.07 0.00 1.54 0.00 0.00 36.73 39.03 3bbw h TYR 808 CO -0.88 -0.33 -0.01 -0.07 -1.64 0.00 0.00 178.16 175.23 3bbw h LEU 809 N -0.41 -0.19 -0.31 2.82 3.38 -1.10 0.32 115.31 119.83 3bbw h LEU 809 Ca 0.04 0.10 0.05 0.00 0.09 0.00 0.00 57.88 58.17 3bbw h LEU 809 Cb 0.46 0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.34 3bbw h LEU 809 CO -0.17 -0.06 0.01 -0.08 0.09 0.00 0.00 178.44 178.23 3bbw h GLU 810 N 0.10 0.10 0.00 1.13 4.81 0.14 0.23 114.58 121.09 3bbw h GLU 810 Ca 0.21 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.43 3bbw h GLU 810 Cb 0.30 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.66 3bbw h GLU 810 CO -0.36 0.06 -0.01 1.49 -0.73 0.00 0.00 179.01 179.47 3bbw h GLU 811 N 0.10 0.00 -0.14 1.92 4.57 0.27 0.13 114.58 121.43 3bbw h GLU 811 Ca 0.15 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.33 3bbw h GLU 811 Cb 0.19 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.78 3bbw h GLU 811 CO -0.24 0.01 0.00 0.54 -1.18 0.00 0.00 179.01 178.14 3bbw n ARG 812 N -3.91 2.35 -3.22 1.92 1.74 0.90 -4.94 116.66 111.50 3bbw n ARG 812 Ca -0.03 -1.99 -0.15 0.00 -0.77 0.00 0.00 57.85 54.92 3bbw n ARG 812 Cb 0.09 -1.48 0.08 0.00 -1.02 0.00 0.00 32.46 30.13 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 1.33 -5.45 -5.22 5.56 1.74 0.61 -5.01 116.66 110.22 3bbw n ARG 813 Ca 0.16 0.74 -0.32 0.00 -0.77 0.00 0.00 57.85 57.66 3bbw n ARG 813 Cb 0.59 -5.41 -0.17 0.00 -1.02 0.00 0.00 32.46 26.45 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 -5.73 2.11 -0.28 0.55 0.20 -0.00 -5.02 118.68 110.51 3bbw s LEU 814 Ca 0.03 -0.53 -0.07 0.00 0.69 0.00 0.00 54.13 54.26 3bbw s LEU 814 Cb -0.00 -1.40 -0.00 0.00 -0.43 0.00 0.00 46.19 44.35 3bbw s LEU 814 CO 0.63 0.20 0.07 -0.69 -0.29 0.00 0.00 176.35 176.27 3bbw s VAL 815 N 0.11 3.99 0.06 1.68 1.01 -1.26 -4.01 120.40 121.97 3bbw s VAL 815 Ca -0.12 -0.56 -0.24 0.00 0.00 0.00 0.00 61.98 61.06 3bbw s VAL 815 Cb -0.16 -2.99 -0.17 0.00 0.00 0.00 0.00 36.38 33.06 3bbw s VAL 815 CO 0.06 0.17 1.59 -0.74 0.00 0.00 0.00 175.10 176.18 3bbw h HIS 816 N 8.22 -0.04 0.00 5.22 2.76 -1.95 -3.38 115.15 125.99 3bbw h HIS 816 Ca -0.34 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.83 3bbw h HIS 816 Cb 1.14 0.01 0.00 0.00 1.55 0.00 0.00 27.41 30.11 3bbw h HIS 816 CO 0.62 0.12 0.00 0.54 -1.30 0.00 0.00 177.93 177.91 3bbw n ARG 817 N -5.04 0.00 -2.74 5.26 1.74 -1.26 -3.76 116.66 110.86 3bbw n ARG 817 Ca -0.08 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 56.91 3bbw n ARG 817 Cb 0.11 -1.04 0.07 0.00 -1.02 0.00 0.00 32.46 30.58 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 -0.52 -4.63 0.55 2.03 -1.26 -5.00 116.55 107.72 3bbw n ASP 818 Ca 0.00 -2.77 -0.42 0.00 0.52 0.00 0.00 54.79 52.12 3bbw n ASP 818 Cb 0.00 0.43 -0.05 0.00 -0.72 0.00 0.00 41.12 40.78 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 -2.97 4.08 0.29 -2.67 2.96 -1.26 -4.83 118.68 114.28 3bbw s LEU 819 Ca 0.26 0.89 -0.09 0.00 -0.22 0.00 0.00 54.13 54.96 3bbw s LEU 819 Cb 0.40 -3.09 0.00 0.00 0.50 0.00 0.00 46.19 44.00 3bbw s LEU 819 CO -0.04 -0.51 0.49 0.00 -1.32 0.00 0.00 176.35 174.97 3bbw s ALA 820 N 2.80 0.14 0.34 5.97 0.00 -1.26 -4.55 121.76 125.19 3bbw s ALA 820 Ca 0.32 -1.13 0.37 0.00 0.00 0.00 0.00 51.96 51.52 3bbw s ALA 820 Cb -0.15 1.08 1.76 0.00 0.00 0.00 0.00 23.12 25.81 3bbw s ALA 820 CO 0.09 -0.83 2.13 0.00 0.00 0.00 0.00 175.76 177.15 3bbw h ALA 821 N 2.20 1.03 -0.16 0.00 0.00 -1.92 -2.58 119.26 117.83 3bbw h ALA 821 Ca -0.28 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.54 3bbw h ALA 821 Cb 1.25 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 3bbw h ALA 821 CO 0.38 0.02 -0.18 0.07 0.00 0.00 0.00 179.25 179.54 3bbw h ARG 822 N 0.00 0.41 -0.83 0.00 0.11 -1.95 -1.06 114.38 111.06 3bbw h ARG 822 Ca -0.00 -0.22 -0.02 0.00 0.10 0.00 0.00 59.98 59.83 3bbw h ARG 822 Cb 0.31 0.01 -0.01 0.00 1.11 0.00 0.00 29.97 31.39 3bbw h ARG 822 CO 0.00 0.79 0.03 0.09 0.10 0.00 0.00 179.97 180.98 3bbw n ASN 823 N -4.50 3.18 -4.44 0.08 3.02 -0.98 -4.57 115.26 107.05 3bbw n ASN 823 Ca -0.06 -2.45 -0.33 0.00 -0.03 0.00 0.00 54.58 51.70 3bbw n ASN 823 Cb 0.39 -0.59 -0.13 0.00 -0.61 0.00 0.00 39.78 38.83 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 -1.77 3.51 0.30 2.41 1.01 -1.21 -1.15 120.40 123.50 3bbw s VAL 824 Ca 0.25 -0.50 0.08 0.00 0.00 0.00 0.00 61.98 61.81 3bbw s VAL 824 Cb 0.19 -2.51 -0.04 0.00 0.00 0.00 0.00 36.38 34.03 3bbw s VAL 824 CO 0.07 0.51 0.19 -0.76 0.00 0.00 0.00 175.10 175.11 3bbw s LEU 825 N 0.32 3.55 -0.39 3.92 1.43 0.31 -0.99 118.68 126.83 3bbw s LEU 825 Ca -0.07 -0.48 -0.03 0.00 -1.03 0.00 0.00 54.13 52.52 3bbw s LEU 825 Cb -0.15 -2.10 0.10 0.00 0.03 0.00 0.00 46.19 44.08 3bbw s LEU 825 CO 0.04 -0.18 0.17 -0.69 0.23 0.00 0.00 176.35 175.92 3bbw s VAL 826 N -2.27 3.24 -0.02 -1.59 1.01 -0.39 -0.52 120.40 119.86 3bbw s VAL 826 Ca 0.36 -1.94 -0.26 0.00 0.00 0.00 0.00 61.98 60.14 3bbw s VAL 826 Cb -0.06 -3.17 -0.20 0.00 0.00 0.00 0.00 36.38 32.95 3bbw s VAL 826 CO 0.24 -0.60 1.24 0.50 0.00 0.00 0.00 175.10 176.49 3bbw h LYS 827 N 8.04 0.04 -3.87 2.72 1.63 -1.13 -3.34 116.57 120.65 3bbw h LYS 827 Ca -0.14 -0.02 -0.09 0.00 -0.85 0.00 0.00 60.65 59.54 3bbw h LYS 827 Cb 1.05 0.00 -0.14 0.00 -0.60 0.00 0.00 32.23 32.54 3bbw h LYS 827 CO 0.67 0.55 -0.40 -1.54 -3.45 0.00 0.00 179.45 175.28 3bbw s SER 828 N -5.77 0.14 0.24 4.20 1.04 -0.67 -4.75 113.70 108.13 3bbw s SER 828 Ca -0.16 -0.73 0.00 0.00 0.48 0.00 0.00 55.95 55.55 3bbw s SER 828 Cb 0.02 0.34 0.57 0.00 0.10 0.00 0.00 66.02 67.04 3bbw s SER 828 CO 0.68 -0.74 1.24 -2.65 0.98 0.00 0.00 173.24 172.75 3bbw n PRO 829 N -0.07 -0.06 -0.76 4.02 -0.02 -1.26 0.43 135.00 137.28 3bbw n PRO 829 Ca -0.14 1.19 0.07 0.00 -2.02 0.00 0.00 63.50 62.60 3bbw n PRO 829 Cb 0.62 -1.87 0.36 0.00 -0.02 0.00 0.00 33.50 32.59 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 -5.14 5.08 -3.37 2.55 5.15 -1.26 -4.85 115.26 113.42 3bbw n ASN 830 Ca 0.18 -2.74 -0.13 0.00 -0.60 0.00 0.00 54.58 51.28 3bbw n ASN 830 Cb 0.57 -0.64 -0.08 0.00 -0.53 0.00 0.00 39.78 39.10 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 -2.42 -0.70 0.16 1.20 2.46 0.17 -4.99 115.29 111.17 3bbw s HIS 831 Ca 0.49 0.26 0.09 0.00 0.47 0.00 0.00 55.06 56.37 3bbw s HIS 831 Cb 0.36 -0.24 -0.04 0.00 -0.13 0.00 0.00 32.58 32.52 3bbw s HIS 831 CO 0.16 -0.86 -0.14 0.14 -2.47 0.00 0.00 174.74 171.57 3bbw s VAL 832 N 2.46 2.97 0.12 0.89 -7.23 -1.26 -0.55 120.40 117.80 3bbw s VAL 832 Ca 0.10 -1.67 0.06 0.00 -1.81 0.00 0.00 61.98 58.66 3bbw s VAL 832 Cb -0.14 -2.44 -0.04 0.00 0.56 0.00 0.00 36.38 34.33 3bbw s VAL 832 CO -0.26 -0.05 -0.15 -0.54 -0.31 0.00 0.00 175.10 173.79 3bbw s LYS 833 N -2.62 1.05 -0.03 4.82 1.02 0.32 -4.31 119.74 120.00 3bbw s LYS 833 Ca 0.22 -1.25 -0.06 0.00 0.02 0.00 0.00 55.97 54.90 3bbw s LYS 833 Cb -0.09 -0.98 -0.04 0.00 -0.52 0.00 0.00 37.83 36.19 3bbw s LYS 833 CO 0.13 0.19 0.23 0.42 -0.92 0.00 0.00 175.35 175.40 3bbw s ILE 834 N -2.05 5.36 0.47 2.17 1.01 -0.74 0.12 121.20 127.54 3bbw s ILE 834 Ca 0.09 0.16 0.02 0.00 0.00 0.00 0.00 60.65 60.93 3bbw s ILE 834 Cb -0.05 -3.53 -0.01 0.00 0.01 0.00 0.00 42.46 38.88 3bbw s ILE 834 CO 0.04 0.44 0.08 0.28 0.00 0.00 0.00 174.94 175.77 3bbw s THR 835 N -1.22 0.75 -1.37 2.92 -1.32 -0.30 -0.24 115.64 114.85 3bbw s THR 835 Ca 0.24 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.72 3bbw s THR 835 Cb -0.13 -2.17 0.00 0.00 -1.51 0.00 0.00 72.50 68.69 3bbw s THR 835 CO 0.13 0.00 0.00 0.47 -2.21 0.00 0.00 174.62 173.01 3bbw n ASP 836 N -1.39 -4.87 -4.75 8.08 9.92 -1.26 -4.83 116.55 117.45 3bbw n ASP 836 Ca -0.13 0.32 -0.41 0.00 -0.53 0.00 0.00 54.79 54.04 3bbw n ASP 836 Cb 0.66 -3.51 -0.03 0.00 -0.64 0.00 0.00 41.12 37.60 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 -2.38 3.22 -1.43 1.24 -0.12 -1.26 -3.37 117.98 113.88 3bbw s PHE 837 Ca 0.00 1.31 0.00 0.00 -0.05 0.00 0.00 56.93 58.19 3bbw s PHE 837 Cb 0.00 -3.61 0.00 0.00 -0.63 0.00 0.00 43.02 38.78 3bbw s PHE 837 CO 0.00 -1.80 0.00 0.41 -0.05 0.00 0.00 175.22 173.78 3bbw n GLY 838 N 1.81 1.37 0.31 1.99 0.00 -1.25 -4.87 105.19 104.56 3bbw n GLY 838 Ca 0.04 -0.18 0.19 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.48 115.31 119.86 3bbw h LEU 839 Ca -0.28 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.44 3bbw h LEU 839 Cb 1.03 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.06 3bbw h LEU 839 CO 0.40 0.01 -0.23 0.00 -0.34 0.00 0.00 178.44 178.28 3bbw n ALA 840 N -2.19 2.70 0.19 1.25 0.00 -1.26 -0.93 120.51 120.26 3bbw n ALA 840 Ca -0.03 -0.17 0.05 0.00 0.00 0.00 0.00 53.44 53.30 3bbw n ALA 840 Cb 0.10 -1.34 0.36 0.00 0.00 0.00 0.00 19.45 18.57 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 -1.47 -2.63 114.38 113.49 3bbw h ARG 841 Ca 0.00 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 59.84 3bbw h ARG 841 Cb 0.60 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.67 3bbw h ARG 841 CO 0.00 0.38 -0.96 -0.07 -1.07 0.00 0.00 179.97 178.25 3bbw h LEU 842 N 0.00 0.44 0.00 3.04 4.07 -1.59 -3.51 115.31 117.76 3bbw h LEU 842 Ca -0.00 -0.92 0.00 0.00 0.08 0.00 0.00 57.88 57.03 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 1.45 0.00 0.18 -1.08 0.00 0.00 178.44 179.04 3bbw n LEU 843 N -4.09 0.00 0.00 1.67 4.77 -0.11 -4.54 117.00 114.71 3bbw n LEU 843 Ca -0.17 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 3bbw n LEU 843 Cb 0.84 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.93 3bbw n LEU 843 CO 0.46 0.00 0.00 -0.81 -1.33 0.00 0.00 177.39 175.71 3bbw n PRO 858 N 0.00 0.00 -0.12 3.23 -0.04 -1.26 -4.83 135.00 131.99 3bbw n PRO 858 Ca 0.00 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.35 3bbw n PRO 858 Cb 0.00 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.43 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 1.28 0.00 0.52 1.08 -2.00 -2.84 117.51 115.55 3bbw h ILE 859 Ca 0.00 -1.15 0.00 0.00 -0.39 0.00 0.00 64.86 63.32 3bbw h ILE 859 Cb 0.00 1.33 0.00 0.00 -3.07 0.00 0.00 36.82 35.08 3bbw h ILE 859 CO 0.00 0.38 0.00 0.29 -0.69 0.00 0.00 178.15 178.13 3bbw n LYS 860 N -4.42 0.21 -0.04 2.37 5.02 -1.26 -0.88 118.16 119.17 3bbw n LYS 860 Ca -0.02 0.15 0.02 0.00 -2.02 0.00 0.00 58.31 56.43 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 -1.27 0.11 -3.30 2.13 8.01 -1.15 -4.97 117.44 117.00 3bbw n TRP 861 Ca 0.07 -0.33 -0.38 0.00 -1.31 0.00 0.00 57.50 55.55 3bbw n TRP 861 Cb 0.11 -0.03 -0.06 0.00 -2.01 0.00 0.00 31.31 29.32 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 -0.77 4.24 0.80 -0.99 -1.94 -0.06 -4.03 119.30 116.56 3bbw s MET 862 Ca 0.07 0.59 -0.13 0.00 -1.71 0.00 0.00 55.69 54.51 3bbw s MET 862 Cb 0.04 -3.34 0.08 0.00 2.01 0.00 0.00 34.83 33.62 3bbw s MET 862 CO 0.05 0.38 1.17 0.00 -0.01 0.00 0.00 175.02 176.62 3bbw s ALA 863 N -0.15 1.90 0.25 3.03 0.00 -1.26 -4.90 121.76 120.62 3bbw s ALA 863 Ca 0.28 0.72 -0.04 0.00 0.00 0.00 0.00 51.96 52.92 3bbw s ALA 863 Cb -0.17 -3.44 0.29 0.00 0.00 0.00 0.00 23.12 19.79 3bbw s ALA 863 CO 0.14 -2.18 1.76 1.25 0.00 0.00 0.00 175.76 176.73 3bbw h LEU 864 N -0.94 0.86 -0.61 0.00 5.85 -1.95 -2.12 115.31 116.40 3bbw h LEU 864 Ca -0.46 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.08 3bbw h LEU 864 Cb 1.28 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 42.08 3bbw h LEU 864 CO 0.47 0.87 0.00 -1.84 -0.34 0.00 0.00 178.44 177.60 3bbw n GLU 865 N -4.23 0.14 0.02 1.25 0.28 -1.26 -1.97 120.64 114.87 3bbw n GLU 865 Ca 0.04 0.42 0.08 0.00 -0.16 0.00 0.00 57.16 57.54 3bbw n GLU 865 Cb 0.27 -1.79 -0.11 0.00 1.43 0.00 0.00 31.44 31.25 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 1.48 0.01 0.00 2.04 -1.24 -2.78 117.51 117.02 3bbw h ILE 867 Ca -0.06 -1.87 -0.00 0.00 1.00 0.00 0.00 64.86 63.93 3bbw h ILE 867 Cb 1.16 2.56 0.00 0.00 -0.74 0.00 0.00 36.82 39.80 3bbw h ILE 867 CO 0.01 0.53 -0.01 0.45 0.00 0.00 0.00 178.15 179.13 3bbw h HIS 868 N -0.30 -0.02 -0.12 1.37 3.86 -1.62 -3.41 115.15 114.91 3bbw h HIS 868 Ca -0.03 -0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.16 3bbw h HIS 868 Cb 1.03 0.01 -0.01 0.00 1.06 0.00 0.00 27.41 29.50 3bbw h HIS 868 CO 0.15 0.39 -0.05 0.66 0.86 0.00 0.00 177.93 179.94 3bbw n TYR 869 N -4.73 0.41 -3.07 2.45 4.02 -0.79 -4.97 117.16 110.48 3bbw n TYR 869 Ca -0.04 -1.06 -0.22 0.00 -0.01 0.00 0.00 57.90 56.56 3bbw n TYR 869 Cb 0.20 -0.24 -0.04 0.00 -0.02 0.00 0.00 39.34 39.23 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 -1.08 -0.86 -2.86 -0.72 1.74 -1.05 -4.79 116.66 107.04 3bbw n ARG 870 Ca 0.20 0.07 -0.43 0.00 -0.77 0.00 0.00 57.85 56.92 3bbw n ARG 870 Cb 0.76 -2.46 -0.04 0.00 -1.02 0.00 0.00 32.46 29.70 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 -4.24 3.33 -0.39 5.56 2.20 -1.08 -4.94 119.74 120.18 3bbw s LYS 871 Ca 0.43 -0.27 -0.14 0.00 -0.36 0.00 0.00 55.97 55.63 3bbw s LYS 871 Cb -0.25 -4.05 0.01 0.00 -1.51 0.00 0.00 37.83 32.03 3bbw s LYS 871 CO 0.53 -1.44 0.26 -0.06 -0.36 0.00 0.00 175.35 174.28 3bbw s PHE 872 N 3.84 3.24 0.16 4.03 0.40 -1.26 -4.37 117.98 124.01 3bbw s PHE 872 Ca 0.30 -0.59 0.03 0.00 -0.60 0.00 0.00 56.93 56.07 3bbw s PHE 872 Cb -0.13 -2.53 -0.05 0.00 0.51 0.00 0.00 43.02 40.83 3bbw s PHE 872 CO 0.19 -0.55 -0.05 -0.08 0.70 0.00 0.00 175.22 175.43 3bbw s THR 873 N 1.66 0.93 0.29 0.64 -1.32 -1.26 -5.00 115.64 111.57 3bbw s THR 873 Ca 0.05 -2.01 0.03 0.00 -1.21 0.00 0.00 61.69 58.55 3bbw s THR 873 Cb -0.19 -1.97 0.28 0.00 -1.51 0.00 0.00 72.50 69.11 3bbw s THR 873 CO 0.09 -0.63 1.72 0.45 -2.21 0.00 0.00 174.62 174.05 3bbw h HIS 874 N 2.74 0.76 0.00 9.09 3.86 -1.97 0.16 115.15 129.79 3bbw h HIS 874 Ca -0.37 0.04 0.00 0.00 -1.16 0.00 0.00 60.37 58.88 3bbw h HIS 874 Cb 1.19 -0.19 0.00 0.00 1.06 0.00 0.00 27.41 29.47 3bbw h HIS 874 CO 0.59 0.05 0.00 1.96 0.86 0.00 0.00 177.93 181.39 3bbw h GLN 875 N 0.51 0.00 0.00 2.45 1.08 -1.94 -0.18 115.11 117.03 3bbw h GLN 875 Ca 0.55 0.00 -0.16 0.00 -1.45 0.00 0.00 58.65 57.58 3bbw h GLN 875 Cb 0.96 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.37 3bbw h GLN 875 CO -0.47 0.00 -0.88 0.66 -0.95 0.00 0.00 178.83 177.20 3bbw h SER 876 N 0.00 0.00 -0.31 1.46 4.64 -1.06 -3.21 113.55 115.07 3bbw h SER 876 Ca 0.00 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.22 3bbw h SER 876 Cb 0.46 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.55 3bbw h SER 876 CO 0.00 0.72 -0.19 0.44 -0.87 0.00 0.00 176.83 176.93 3bbw h ASP 877 N 0.00 0.70 -0.85 4.97 3.32 -0.19 -3.08 116.42 121.29 3bbw h ASP 877 Ca -0.05 -0.43 0.17 0.00 0.02 0.00 0.00 57.03 56.74 3bbw h ASP 877 Cb 1.59 -0.19 -0.16 0.00 0.22 0.00 0.00 39.33 40.78 3bbw h ASP 877 CO 0.09 0.98 -0.23 0.58 -1.72 0.00 0.00 179.24 178.93 3bbw h VAL 878 N 0.43 0.14 -0.49 -1.35 2.07 -1.17 0.83 116.25 116.70 3bbw h VAL 878 Ca 0.06 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.68 3bbw h VAL 878 Cb 0.73 0.14 -0.09 0.00 -1.52 0.00 0.00 31.29 30.55 3bbw h VAL 878 CO 0.05 0.00 -0.08 -0.25 0.02 0.00 0.00 177.57 177.31 3bbw h TRP 879 N -0.01 -0.19 -0.25 1.57 2.91 -1.56 -1.54 115.95 116.89 3bbw h TRP 879 Ca 0.40 0.04 0.06 0.00 1.13 0.00 0.00 58.89 60.52 3bbw h TRP 879 Cb 0.62 0.16 -0.06 0.00 -0.51 0.00 0.00 29.16 29.37 3bbw h TRP 879 CO -0.68 -0.18 -0.15 0.77 -1.03 0.00 0.00 178.44 177.16 3bbw h SER 880 N 0.03 -0.51 -0.23 2.65 0.02 0.66 -2.50 113.55 113.67 3bbw h SER 880 Ca 0.24 0.11 0.05 0.00 -0.84 0.00 0.00 61.79 61.35 3bbw h SER 880 Cb 0.36 0.27 -0.07 0.00 0.14 0.00 0.00 62.40 63.10 3bbw h SER 880 CO -0.47 -0.19 -0.45 0.22 -1.14 0.00 0.00 176.83 174.79 3bbw h TYR 881 N -0.14 -1.32 -0.71 3.45 3.20 -0.13 0.83 116.97 122.15 3bbw h TYR 881 Ca 0.14 0.06 0.08 0.00 3.14 0.00 0.00 58.73 62.14 3bbw h TYR 881 Cb 0.34 0.61 -0.09 0.00 1.54 0.00 0.00 36.73 39.13 3bbw h TYR 881 CO -0.33 -0.48 -0.37 0.41 -1.64 0.00 0.00 178.16 175.75 3bbw n GLY 882 N -1.43 -1.72 0.31 1.82 0.00 -0.66 0.74 105.19 104.26 3bbw n GLY 882 Ca -0.03 0.83 -0.07 0.00 0.00 0.00 0.00 46.02 46.75 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 1.25 0.17 1.61 2.07 -0.77 -1.83 116.25 118.75 3bbw h VAL 883 Ca 0.16 -0.81 0.01 0.00 0.82 0.00 0.00 66.70 66.87 3bbw h VAL 883 Cb 0.33 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 3bbw h VAL 883 CO -0.68 0.32 -0.19 0.74 0.02 0.00 0.00 177.57 177.78 3bbw h THR 884 N 1.03 0.57 -0.72 2.57 2.02 0.26 0.29 112.91 118.93 3bbw h THR 884 Ca 0.24 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.42 3bbw h THR 884 Cb 0.23 0.57 -0.04 0.00 -1.74 0.00 0.00 68.15 67.18 3bbw h THR 884 CO -0.02 0.00 0.47 0.16 0.37 0.00 0.00 175.52 176.51 3bbw h ILE 885 N -0.40 1.18 -0.68 3.11 3.07 -0.89 0.22 117.51 123.13 3bbw h ILE 885 Ca 0.01 -0.33 0.13 0.00 1.55 0.00 0.00 64.86 66.22 3bbw h ILE 885 Cb 0.39 0.13 -0.10 0.00 -0.27 0.00 0.00 36.82 36.97 3bbw h ILE 885 CO -0.06 0.18 0.17 -0.25 -1.05 0.00 0.00 178.15 177.14 3bbw h TRP 886 N 0.97 0.28 -0.73 0.16 7.01 -0.50 0.34 115.95 123.48 3bbw h TRP 886 Ca 0.26 0.04 0.16 0.00 2.11 0.00 0.00 58.89 61.46 3bbw h TRP 886 Cb -0.11 -0.02 -0.04 0.00 -2.10 0.00 0.00 29.16 26.89 3bbw h TRP 886 CO -0.02 -0.04 0.50 0.93 -2.79 0.00 0.00 178.44 177.02 3bbw h GLU 887 N 0.29 0.29 0.02 2.65 5.08 0.16 -1.95 114.58 121.13 3bbw h GLU 887 Ca 0.37 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.71 3bbw h GLU 887 Cb 0.58 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.77 3bbw h GLU 887 CO -0.44 0.19 -0.01 -0.07 -1.00 0.00 0.00 179.01 177.68 3bbw h LEU 888 N 0.30 -0.02 -0.88 1.33 3.38 0.11 0.30 115.31 119.82 3bbw h LEU 888 Ca 0.36 -0.73 0.14 0.00 0.09 0.00 0.00 57.88 57.74 3bbw h LEU 888 Cb 0.96 0.01 -0.09 0.00 0.09 0.00 0.00 40.66 41.63 3bbw h LEU 888 CO -0.09 0.76 0.49 0.24 0.09 0.00 0.00 178.44 179.93 3bbw h MET 889 N -0.85 0.71 0.00 1.13 2.86 -0.38 0.36 114.93 118.76 3bbw h MET 889 Ca -0.00 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 3bbw h MET 889 Cb 0.75 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.25 3bbw h MET 889 CO 0.00 0.47 0.00 1.79 1.06 0.00 0.00 176.91 180.23 3bbw h THR 890 N 0.73 0.00 0.00 2.22 1.35 -1.54 -3.43 112.91 112.23 3bbw h THR 890 Ca 0.47 -0.38 0.00 0.00 -0.55 0.00 0.00 66.41 65.95 3bbw h THR 890 Cb 0.60 1.24 0.00 0.00 -1.73 0.00 0.00 68.15 68.26 3bbw h THR 890 CO -0.33 0.00 0.00 0.49 -0.25 0.00 0.00 175.52 175.43 3bbw n PHE 891 N -2.42 0.00 0.00 4.73 3.72 0.13 -4.25 117.46 119.37 3bbw n PHE 891 Ca 0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.43 3bbw n PHE 891 Cb 0.31 -0.24 0.00 0.00 -0.94 0.00 0.00 39.48 38.62 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 -2.69 1.78 3.66 1.37 0.00 0.11 -2.04 105.19 107.37 3bbw n GLY 892 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.21 3.55 -0.02 0.00 -1.25 -4.96 105.19 102.31 3bbw n GLY 893 Ca 0.00 -0.45 -0.41 0.00 0.00 0.00 0.00 46.02 45.16 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 -3.86 3.61 0.32 1.61 1.02 -1.26 -4.83 119.74 116.36 3bbw s LYS 894 Ca 0.73 -0.33 -0.29 0.00 0.02 0.00 0.00 55.97 56.10 3bbw s LYS 894 Cb -0.30 -3.79 -0.12 0.00 -0.52 0.00 0.00 37.83 33.09 3bbw s LYS 894 CO 0.51 -0.53 1.34 -2.30 -0.92 0.00 0.00 175.35 173.45 3bbw n PRO 895 N 5.45 2.17 -3.92 -1.68 -0.02 -1.26 -2.61 135.00 133.14 3bbw n PRO 895 Ca -0.08 0.76 -0.28 0.00 -2.02 0.00 0.00 63.50 61.88 3bbw n PRO 895 Cb 0.49 -2.38 -0.01 0.00 -0.02 0.00 0.00 33.50 31.59 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 0.70 -1.67 -2.23 6.00 4.02 -1.26 -4.87 117.16 117.85 3bbw n TYR 896 Ca 0.06 0.64 -0.37 0.00 -0.01 0.00 0.00 57.90 58.22 3bbw n TYR 896 Cb 0.35 -3.60 -0.01 0.00 -0.02 0.00 0.00 39.34 36.07 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 -4.14 6.21 -1.96 7.72 -1.08 -1.07 -2.49 116.67 119.85 3bbw s ASP 897 Ca 0.13 2.35 0.00 0.00 -0.52 0.00 0.00 52.55 54.51 3bbw s ASP 897 Cb -0.05 -2.61 0.00 0.00 -1.46 0.00 0.00 42.92 38.80 3bbw s ASP 897 CO 0.89 -0.89 0.00 0.61 0.52 0.00 0.00 175.17 176.30 3bbw n GLY 898 N 0.50 1.16 3.15 2.66 0.00 -1.26 -4.99 105.19 106.41 3bbw n GLY 898 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.75 1.76 1.03 -0.61 1.01 -1.04 -5.14 121.20 115.47 3bbw s ILE 899 Ca 0.00 -0.84 -0.11 0.00 0.00 0.00 0.00 60.65 59.69 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 0.49 1.08 -2.16 0.00 0.00 0.00 174.94 174.36 3bbw s PRO 900 N 0.49 0.09 0.03 2.79 0.04 -1.26 -4.99 135.00 132.19 3bbw s PRO 900 Ca -0.16 1.15 -0.24 0.00 0.04 0.00 0.00 61.00 61.78 3bbw s PRO 900 Cb -0.17 -1.65 -0.14 0.00 0.04 0.00 0.00 34.50 32.59 3bbw s PRO 900 CO 0.06 -3.14 1.30 1.15 0.04 0.00 0.00 177.00 176.41 3bbw h THR 901 N -2.22 0.00 0.00 1.26 2.02 -2.00 -3.30 112.91 108.66 3bbw h THR 901 Ca -0.53 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 66.61 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 0.47 0.00 0.00 0.54 0.37 0.00 0.00 175.52 176.90 3bbw n ARG 902 N -4.50 0.25 -0.01 6.66 1.74 -1.26 -1.01 116.66 118.53 3bbw n ARG 902 Ca -0.11 0.00 0.09 0.00 -0.77 0.00 0.00 57.85 57.06 3bbw n ARG 902 Cb 0.35 -1.37 -0.14 0.00 -1.02 0.00 0.00 32.46 30.27 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 -0.87 0.59 -0.31 5.56 1.02 -1.24 -4.63 120.64 120.75 3bbw n GLU 903 Ca 0.05 -0.16 -0.08 0.00 -0.02 0.00 0.00 57.16 56.94 3bbw n GLU 903 Cb 0.02 -1.44 -0.04 0.00 -0.02 0.00 0.00 31.44 29.96 3bbw n GLU 903 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 3bbw h ILE 904 N 0.00 0.03 -0.33 -3.67 1.08 -1.19 -2.38 117.51 111.06 3bbw h ILE 904 Ca -0.02 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.50 3bbw h ILE 904 Cb 0.90 0.03 -0.04 0.00 -3.07 0.00 0.00 36.82 34.64 3bbw h ILE 904 CO 0.00 0.00 0.07 -0.65 -0.69 0.00 0.00 178.15 176.89 3bbw h PRO 905 N -0.12 0.19 -0.27 2.37 0.11 -1.82 -0.49 132.00 131.97 3bbw h PRO 905 Ca 0.20 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 66.21 3bbw h PRO 905 Cb 0.53 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.58 3bbw h PRO 905 CO -0.83 0.13 -0.23 -0.44 -0.21 0.00 0.00 178.00 176.41 3bbw h ASP 906 N 0.19 0.51 -0.23 -2.05 5.19 -1.85 -1.95 116.42 116.24 3bbw h ASP 906 Ca 0.15 -0.17 -0.00 0.00 -0.62 0.00 0.00 57.03 56.39 3bbw h ASP 906 Cb 0.16 -0.14 -0.01 0.00 0.18 0.00 0.00 39.33 39.52 3bbw h ASP 906 CO -0.19 0.74 0.13 0.25 -3.12 0.00 0.00 179.24 177.05 3bbw h LEU 907 N 0.45 0.28 0.42 1.55 6.46 -0.81 -2.36 115.31 121.31 3bbw h LEU 907 Ca 0.07 -0.08 -0.02 0.00 -0.12 0.00 0.00 57.88 57.73 3bbw h LEU 907 Cb 0.65 -0.07 0.00 0.00 -0.73 0.00 0.00 40.66 40.52 3bbw h LEU 907 CO 0.05 0.28 -0.20 -0.07 -0.62 0.00 0.00 178.44 177.87 3bbw h LEU 908 N 0.26 -0.48 -1.99 2.25 3.38 -1.02 -2.73 115.31 114.97 3bbw h LEU 908 Ca 0.08 0.02 0.34 0.00 0.09 0.00 0.00 57.88 58.40 3bbw h LEU 908 Cb 0.06 0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.89 3bbw h LEU 908 CO -0.01 -0.34 0.85 -0.33 0.09 0.00 0.00 178.44 178.69 3bbw h GLU 909 N -0.57 0.00 0.00 1.13 5.08 -1.25 0.23 114.58 119.20 3bbw h GLU 909 Ca -0.06 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.24 3bbw h GLU 909 Cb 0.44 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 3bbw h GLU 909 CO 0.10 0.00 -0.30 0.87 -1.00 0.00 0.00 179.01 178.67 3bbw h LYS 910 N 0.00 0.00 0.00 2.33 1.57 -1.10 -3.47 116.57 115.90 3bbw h LYS 910 Ca 0.56 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.34 3bbw h LYS 910 Cb 2.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.55 3bbw h LYS 910 CO -0.01 0.30 0.00 0.41 -0.57 0.00 0.00 179.45 179.59 3bbw n GLY 911 N -0.26 1.15 3.64 3.86 0.00 0.80 -5.09 105.19 109.30 3bbw n GLY 911 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.35 4.12 0.50 1.61 2.02 -1.19 -5.07 118.70 120.33 3bbw s GLU 912 Ca 0.00 0.24 0.00 0.00 0.02 0.00 0.00 54.97 55.24 3bbw s GLU 912 Cb 0.00 -3.60 0.00 0.00 0.10 0.00 0.00 34.13 30.64 3bbw s GLU 912 CO 0.00 -0.19 0.04 0.54 0.02 0.00 0.00 175.26 175.66 3bbw n ARG 913 N 5.00 0.80 -1.75 1.61 3.00 -1.26 -4.16 116.66 119.89 3bbw n ARG 913 Ca -0.07 -3.58 -0.41 0.00 -0.01 0.00 0.00 57.85 53.79 3bbw n ARG 913 Cb 0.50 0.90 0.01 0.00 0.00 0.00 0.00 32.46 33.88 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 4.70 -4.82 0.55 4.77 -1.26 -4.97 117.00 115.97 3bbw n LEU 914 Ca -0.19 1.17 -0.30 0.00 -0.03 0.00 0.00 56.01 56.66 3bbw n LEU 914 Cb 0.62 -1.59 0.08 0.00 -2.33 0.00 0.00 43.42 40.21 3bbw n LEU 914 CO 0.34 -0.13 0.72 -2.16 -1.33 0.00 0.00 177.39 174.83 3bbw s PRO 915 N -2.23 2.29 0.12 3.23 0.04 -1.26 -4.98 135.00 132.21 3bbw s PRO 915 Ca 0.58 0.60 -0.31 0.00 0.04 0.00 0.00 61.00 61.90 3bbw s PRO 915 Cb -0.48 -1.95 -0.09 0.00 0.04 0.00 0.00 34.50 32.03 3bbw s PRO 915 CO 0.60 -1.47 1.58 -1.14 0.04 0.00 0.00 177.00 176.62 3bbw s GLN 916 N -5.21 4.22 0.11 4.56 0.74 -1.26 -4.98 119.66 117.84 3bbw s GLN 916 Ca 0.60 2.32 -0.30 0.00 0.05 0.00 0.00 55.36 58.03 3bbw s GLN 916 Cb -0.14 -3.33 -0.06 0.00 1.10 0.00 0.00 33.01 30.58 3bbw s GLN 916 CO 0.54 -0.64 1.08 -2.14 -0.55 0.00 0.00 175.29 173.58 3bbw s PRO 917 N 1.71 4.57 0.12 1.67 0.02 -1.26 -4.95 135.00 136.88 3bbw s PRO 917 Ca 0.71 1.64 -0.01 0.00 0.02 0.00 0.00 61.00 63.35 3bbw s PRO 917 Cb -0.42 -3.34 0.25 0.00 0.02 0.00 0.00 34.50 31.01 3bbw s PRO 917 CO 0.31 -0.00 0.65 -2.30 -0.33 0.00 0.00 177.00 175.34 3bbw n PRO 918 N 3.06 -0.04 -0.62 5.54 -0.02 -1.26 -1.20 135.00 140.47 3bbw n PRO 918 Ca 0.05 0.64 0.06 0.00 -2.02 0.00 0.00 63.50 62.22 3bbw n PRO 918 Cb 0.47 -0.98 0.29 0.00 -0.02 0.00 0.00 33.50 33.27 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 -4.57 1.88 -4.05 4.25 -5.35 -1.26 -4.90 119.36 105.36 3bbw n ILE 919 Ca 0.08 -0.99 -0.35 0.00 -0.27 0.00 0.00 62.75 61.22 3bbw n ILE 919 Cb 0.26 -0.26 -0.12 0.00 -1.74 0.00 0.00 39.64 37.78 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 0.92 3.70 0.39 0.00 -4.23 -1.09 -4.88 115.64 110.45 3bbw s THR 921 Ca 0.02 1.35 0.21 0.00 -1.18 0.00 0.00 61.69 62.09 3bbw s THR 921 Cb -0.14 -3.73 0.40 0.00 1.34 0.00 0.00 72.50 70.38 3bbw s THR 921 CO 0.02 0.06 1.68 -0.29 -0.54 0.00 0.00 174.62 175.55 3bbw h ILE 922 N 2.33 0.30 -0.16 2.99 6.09 -1.98 -1.78 117.51 125.30 3bbw h ILE 922 Ca -0.48 -0.09 0.02 0.00 -1.37 0.00 0.00 64.86 62.94 3bbw h ILE 922 Cb 1.21 0.02 -0.03 0.00 0.47 0.00 0.00 36.82 38.50 3bbw h ILE 922 CO 0.63 0.05 -0.19 0.44 -3.07 0.00 0.00 178.15 176.00 3bbw h ASP 923 N 0.26 -0.65 0.32 2.19 3.32 -1.92 0.22 116.42 120.15 3bbw h ASP 923 Ca 0.72 0.09 -0.02 0.00 0.02 0.00 0.00 57.03 57.84 3bbw h ASP 923 Cb 1.95 0.27 -0.00 0.00 0.22 0.00 0.00 39.33 41.77 3bbw h ASP 923 CO -0.45 -0.13 -0.10 -0.37 -1.72 0.00 0.00 179.24 176.47 3bbw h VAL 924 N -0.13 0.53 -0.22 -1.35 -1.51 -1.63 0.66 116.25 112.60 3bbw h VAL 924 Ca 0.03 -0.44 -0.16 0.00 -1.23 0.00 0.00 66.70 64.90 3bbw h VAL 924 Cb 0.20 1.29 -0.01 0.00 -2.13 0.00 0.00 31.29 30.64 3bbw h VAL 924 CO -0.21 0.09 -0.51 0.22 -1.23 0.00 0.00 177.57 175.92 3bbw h TYR 925 N 0.00 0.77 0.00 5.19 3.20 -1.01 -2.81 116.97 122.31 3bbw h TYR 925 Ca -0.00 -0.26 -0.05 0.00 3.14 0.00 0.00 58.73 61.55 3bbw h TYR 925 Cb 0.28 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.39 3bbw h TYR 925 CO 0.00 1.01 -0.26 0.52 -1.64 0.00 0.00 178.16 177.79 3bbw h MET 926 N 0.49 0.00 0.88 1.82 2.86 0.18 -0.23 114.93 120.92 3bbw h MET 926 Ca 0.02 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.61 3bbw h MET 926 Cb 1.06 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.73 3bbw h MET 926 CO 0.10 0.26 -0.42 0.28 1.06 0.00 0.00 176.91 178.19 3bbw h VAL 927 N 0.00 0.10 -0.35 -2.22 2.07 -1.36 -2.57 116.25 111.91 3bbw h VAL 927 Ca -0.00 -0.05 0.07 0.00 0.82 0.00 0.00 66.70 67.53 3bbw h VAL 927 Cb 0.57 0.11 -0.09 0.00 -1.52 0.00 0.00 31.29 30.36 3bbw h VAL 927 CO 0.03 0.00 -0.37 0.24 0.02 0.00 0.00 177.57 177.49 3bbw h MET 928 N -1.23 -0.31 -0.77 1.57 2.07 -1.08 -0.99 114.93 114.19 3bbw h MET 928 Ca -0.12 0.02 0.18 0.00 -2.07 0.00 0.00 59.70 57.71 3bbw h MET 928 Cb 0.91 0.07 -0.13 0.00 -1.87 0.00 0.00 31.60 30.58 3bbw h MET 928 CO 0.20 -0.20 0.10 0.28 1.07 0.00 0.00 176.91 178.35 3bbw h VAL 929 N -0.32 0.38 0.00 -2.22 2.07 -1.08 0.56 116.25 115.64 3bbw h VAL 929 Ca 0.14 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.60 3bbw h VAL 929 Cb 0.57 0.20 -0.00 0.00 -1.52 0.00 0.00 31.29 30.53 3bbw h VAL 929 CO -0.52 0.03 -0.04 0.11 0.02 0.00 0.00 177.57 177.17 3bbw h LYS 930 N 0.16 0.00 0.00 1.57 1.57 -0.76 -0.22 116.57 118.89 3bbw h LYS 930 Ca 0.44 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.20 3bbw h LYS 930 Cb 0.80 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.11 3bbw h LYS 930 CO -0.62 0.04 -0.10 0.00 -0.57 0.00 0.00 179.45 178.19 3bbw n TRP 932 N -3.18 2.83 -2.51 0.00 8.01 -0.10 -3.75 117.44 118.75 3bbw n TRP 932 Ca 0.01 -2.46 -0.42 0.00 -1.31 0.00 0.00 57.50 53.32 3bbw n TRP 932 Cb 0.43 -1.04 -0.03 0.00 -2.01 0.00 0.00 31.31 28.67 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 -3.60 4.41 0.24 -0.99 -1.94 -1.17 -4.94 119.30 111.31 3bbw s MET 933 Ca 0.58 1.63 -0.07 0.00 -1.71 0.00 0.00 55.69 56.12 3bbw s MET 933 Cb 0.47 -3.49 0.43 0.00 2.01 0.00 0.00 34.83 34.25 3bbw s MET 933 CO 0.02 -0.33 1.65 0.97 -0.01 0.00 0.00 175.02 177.33 3bbw h ILE 934 N 4.86 0.40 -3.21 2.53 6.09 -1.93 -3.37 117.51 122.87 3bbw h ILE 934 Ca -0.37 -0.05 -0.55 0.00 -1.37 0.00 0.00 64.86 62.52 3bbw h ILE 934 Cb 1.18 0.25 -0.03 0.00 0.47 0.00 0.00 36.82 38.69 3bbw h ILE 934 CO 0.84 0.03 0.58 -0.62 -3.07 0.00 0.00 178.15 175.91 3bbw s ASP 935 N -5.20 7.18 0.06 2.19 2.15 -1.26 -4.92 116.67 116.87 3bbw s ASP 935 Ca -0.13 1.70 -0.33 0.00 0.43 0.00 0.00 52.55 54.22 3bbw s ASP 935 Cb 0.22 -2.56 -0.19 0.00 -0.30 0.00 0.00 42.92 40.09 3bbw s ASP 935 CO 0.75 -0.47 1.58 0.00 -0.17 0.00 0.00 175.17 176.86 3bbw h ALA 936 N 7.15 -0.92 -0.38 3.66 0.00 -1.95 -3.11 119.26 123.72 3bbw h ALA 936 Ca -0.35 -0.21 0.08 0.00 0.00 0.00 0.00 54.91 54.44 3bbw h ALA 936 Cb 1.17 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 19.30 3bbw h ALA 936 CO 0.84 -1.00 0.27 -0.44 0.00 0.00 0.00 179.25 178.92 3bbw h ASP 937 N -0.95 0.13 0.54 0.00 3.32 -1.93 -1.13 116.42 116.40 3bbw h ASP 937 Ca -0.09 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.91 3bbw h ASP 937 Cb 0.71 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.23 3bbw h ASP 937 CO 0.15 0.08 -0.23 0.28 -1.72 0.00 0.00 179.24 177.81 3bbw h SER 938 N 0.15 0.00 -4.21 6.45 0.02 -1.92 -3.44 113.55 110.60 3bbw h SER 938 Ca 0.18 0.00 -0.51 0.00 -0.84 0.00 0.00 61.79 60.62 3bbw h SER 938 Cb 0.51 0.00 0.11 0.00 0.14 0.00 0.00 62.40 63.16 3bbw h SER 938 CO -0.02 0.23 0.37 -0.13 -1.14 0.00 0.00 176.83 176.14 3bbw s ARG 939 N -4.01 2.73 0.78 3.45 0.52 -0.43 -5.02 118.95 116.97 3bbw s ARG 939 Ca -0.02 1.39 -0.13 0.00 -0.52 0.00 0.00 55.73 56.46 3bbw s ARG 939 Cb 0.13 -1.94 0.07 0.00 0.52 0.00 0.00 34.95 33.72 3bbw s ARG 939 CO 0.64 -1.30 1.15 -2.14 0.02 0.00 0.00 175.30 173.67 3bbw s PRO 940 N -4.14 1.91 0.17 3.54 0.02 -1.26 -5.06 135.00 130.18 3bbw s PRO 940 Ca 0.67 1.54 -0.05 0.00 0.02 0.00 0.00 61.00 63.18 3bbw s PRO 940 Cb -0.21 -1.83 -0.06 0.00 0.02 0.00 0.00 34.50 32.43 3bbw s PRO 940 CO 0.43 -1.97 0.41 0.15 -0.33 0.00 0.00 177.00 175.69 3bbw s LYS 941 N -4.35 3.63 0.53 5.54 -0.14 -1.26 -4.94 119.74 118.75 3bbw s LYS 941 Ca 0.69 -0.06 0.20 0.00 -1.36 0.00 0.00 55.97 55.44 3bbw s LYS 941 Cb -0.24 -2.81 1.35 0.00 -1.68 0.00 0.00 37.83 34.45 3bbw s LYS 941 CO 0.51 0.42 2.09 0.74 -0.76 0.00 0.00 175.35 178.35 3bbw h PHE 942 N 2.61 0.00 -0.14 3.18 -1.00 -1.97 0.17 116.94 119.79 3bbw h PHE 942 Ca -0.46 0.00 0.05 0.00 2.81 0.00 0.00 57.97 60.36 3bbw h PHE 942 Cb 1.17 0.00 -0.06 0.00 3.61 0.00 0.00 35.95 40.67 3bbw h PHE 942 CO 0.60 0.00 -0.26 0.87 -1.61 0.00 0.00 178.31 177.91 3bbw h LYS 943 N 0.00 -0.32 0.16 1.51 1.57 -1.94 -1.01 116.57 116.54 3bbw h LYS 943 Ca 0.10 0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.90 3bbw h LYS 943 Cb 0.43 0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.81 3bbw h LYS 943 CO -0.00 -0.21 -0.08 0.93 -0.57 0.00 0.00 179.45 179.52 3bbw h GLU 944 N -0.33 -0.20 -0.99 3.15 5.08 -1.07 -1.49 114.58 118.73 3bbw h GLU 944 Ca 0.10 0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.55 3bbw h GLU 944 Cb 0.48 0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.71 3bbw h GLU 944 CO -0.32 -0.09 0.64 -0.07 -1.00 0.00 0.00 179.01 178.16 3bbw h LEU 945 N -0.26 0.99 0.00 1.33 3.38 -1.25 0.15 115.31 119.64 3bbw h LEU 945 Ca -0.02 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3bbw h LEU 945 Cb 0.21 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.76 3bbw h LEU 945 CO 0.04 0.61 0.00 0.00 0.09 0.00 0.00 178.44 179.18 3bbw n ALA 946 N -2.37 -0.41 -0.30 1.53 0.00 -0.40 -1.43 120.51 117.13 3bbw n ALA 946 Ca 0.16 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.75 3bbw n ALA 946 Cb 0.22 0.08 0.30 0.00 0.00 0.00 0.00 19.45 20.05 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 -2.13 0.53 0.27 0.00 0.00 -0.59 0.03 120.51 118.61 3bbw n ALA 947 Ca 0.00 0.94 -0.13 0.00 0.00 0.00 0.00 53.44 54.26 3bbw n ALA 947 Cb 0.00 -0.73 -0.06 0.00 0.00 0.00 0.00 19.45 18.66 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 -0.34 0.00 4.57 -0.63 -0.12 114.58 117.36 3bbw h GLU 948 Ca 0.57 0.05 0.04 0.00 -1.18 0.00 0.00 59.36 58.84 3bbw h GLU 948 Cb 1.25 0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 29.98 3bbw h GLU 948 CO -0.81 -0.41 0.23 0.74 -1.18 0.00 0.00 179.01 177.58 3bbw h PHE 949 N -1.11 0.31 0.00 0.92 0.05 0.06 0.03 116.94 117.19 3bbw h PHE 949 Ca -0.07 0.01 -0.08 0.00 3.82 0.00 0.00 57.97 61.65 3bbw h PHE 949 Cb 0.60 -0.10 -0.01 0.00 2.00 0.00 0.00 35.95 38.44 3bbw h PHE 949 CO 0.01 0.18 -0.37 0.77 -0.18 0.00 0.00 178.31 178.72 3bbw h SER 950 N 0.32 0.00 -0.29 2.17 0.02 -0.27 -1.80 113.55 113.70 3bbw h SER 950 Ca 0.14 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.94 3bbw h SER 950 Cb 0.17 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.71 3bbw h SER 950 CO -0.03 0.37 -0.40 -0.09 -1.14 0.00 0.00 176.83 175.53 3bbw h ARG 951 N 0.00 0.85 0.00 3.45 2.43 0.88 -3.26 114.38 118.73 3bbw h ARG 951 Ca -0.00 -0.45 -0.07 0.00 -0.81 0.00 0.00 59.98 58.65 3bbw h ARG 951 Cb 0.67 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.23 3bbw h ARG 951 CO 0.05 1.09 -0.31 0.52 -1.51 0.00 0.00 179.97 179.81 3bbw h MET 952 N 0.69 0.00 -0.01 0.20 2.86 -0.66 -3.17 114.93 114.84 3bbw h MET 952 Ca 0.05 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 3bbw h MET 952 Cb 0.98 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.64 3bbw h MET 952 CO 0.09 0.31 0.00 0.00 1.06 0.00 0.00 176.91 178.38 3bbw n ALA 953 N -2.22 2.57 -0.01 6.32 0.00 -0.74 -2.53 120.51 123.90 3bbw n ALA 953 Ca 0.01 -0.11 -0.09 0.00 0.00 0.00 0.00 53.44 53.25 3bbw n ALA 953 Cb 0.54 -1.21 -0.14 0.00 0.00 0.00 0.00 19.45 18.65 3bbw n ALA 953 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3bbw h ARG 954 N 0.14 0.01 -2.55 0.00 3.08 -1.70 -3.42 114.38 109.93 3bbw h ARG 954 Ca 0.00 -0.01 -0.59 0.00 0.07 0.00 0.00 59.98 59.45 3bbw h ARG 954 Cb 0.03 0.00 -0.39 0.00 0.08 0.00 0.00 29.97 29.70 3bbw h ARG 954 CO 0.00 0.58 -0.88 0.34 -1.07 0.00 0.00 179.97 178.94 3bbw s ASP 955 N -6.20 2.40 -0.04 7.04 -1.08 -1.05 -5.05 116.67 112.68 3bbw s ASP 955 Ca -0.04 -2.77 -0.26 0.00 -0.52 0.00 0.00 52.55 48.96 3bbw s ASP 955 Cb 0.08 -0.56 -0.21 0.00 -1.46 0.00 0.00 42.92 40.78 3bbw s ASP 955 CO 0.82 -0.22 1.14 1.55 0.52 0.00 0.00 175.17 178.98 3bbw h PRO 956 N 6.21 -0.03 0.00 4.34 0.13 -1.81 -2.74 132.00 138.10 3bbw h PRO 956 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 3bbw h PRO 956 Cb 0.92 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.06 3bbw h PRO 956 CO 0.37 0.53 0.00 0.00 -0.23 0.00 0.00 178.00 178.66 3bbw n GLN 957 N -4.83 0.50 0.18 0.86 10.64 -1.26 -2.16 117.38 121.30 3bbw n GLN 957 Ca -0.09 0.04 0.14 0.00 -1.83 0.00 0.00 57.00 55.26 3bbw n GLN 957 Cb 0.29 -1.50 0.46 0.00 -0.86 0.00 0.00 30.24 28.63 3bbw n GLN 957 CO 0.00 0.00 0.00 -0.09 -1.83 0.00 0.00 177.06 175.14 3bbw h ARG 958 N 0.00 0.00 0.00 2.61 1.12 -1.83 -3.35 114.38 112.93 3bbw h ARG 958 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 3bbw h ARG 958 Cb 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.02 3bbw h ARG 958 CO 0.00 0.00 -0.59 0.66 -3.11 0.00 0.00 179.97 176.93 3bbw n TYR 959 N -2.64 0.00 -4.45 2.20 4.02 -0.92 -5.00 117.16 110.37 3bbw n TYR 959 Ca 0.03 0.00 -0.22 0.00 -0.01 0.00 0.00 57.90 57.70 3bbw n TYR 959 Cb 0.36 0.00 -0.16 0.00 -0.02 0.00 0.00 39.34 39.52 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 -2.03 1.63 -0.23 7.72 1.43 -1.11 -2.66 118.68 123.44 3bbw s LEU 960 Ca 0.00 -0.23 -0.03 0.00 -1.03 0.00 0.00 54.13 52.84 3bbw s LEU 960 Cb 0.00 -0.66 0.00 0.00 0.03 0.00 0.00 46.19 45.56 3bbw s LEU 960 CO 0.00 0.03 -0.04 -0.69 0.23 0.00 0.00 176.35 175.88 3bbw s VAL 961 N 0.53 3.25 -0.15 -1.59 1.01 -0.52 -4.36 120.40 118.58 3bbw s VAL 961 Ca -0.10 -0.64 0.01 0.00 0.00 0.00 0.00 61.98 61.25 3bbw s VAL 961 Cb -0.13 -2.53 0.02 0.00 0.00 0.00 0.00 36.38 33.74 3bbw s VAL 961 CO 0.02 0.35 -0.19 -0.63 0.00 0.00 0.00 175.10 174.66 3bbw s ILE 962 N 1.44 1.86 0.00 2.22 1.01 -1.26 -4.42 121.20 122.05 3bbw s ILE 962 Ca 0.04 -0.84 0.00 0.00 0.00 0.00 0.00 60.65 59.86 3bbw s ILE 962 Cb -0.15 -1.69 0.00 0.00 0.01 0.00 0.00 42.46 40.64 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 4.41 1.09 -0.38 2.79 3.00 -1.26 -4.91 117.38 122.12 3bbw n GLN 963 Ca -0.19 0.00 0.05 0.00 -0.01 0.00 0.00 57.00 56.84 3bbw n GLN 963 Cb 0.51 0.00 -0.02 0.00 0.00 0.00 0.00 30.24 30.72 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 -2.49 1.37 1.08 0.00 -1.26 -4.99 105.19 103.90 3bbw n GLY 964 Ca 0.00 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.65 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 -2.80 -1.90 0.00 1.61 3.85 -1.26 -4.45 116.55 111.60 3bbw n ASP 965 Ca -0.02 0.00 0.00 0.00 -0.71 0.00 0.00 54.79 54.06 3bbw n ASP 965 Cb 0.18 -0.34 0.00 0.00 -1.35 0.00 0.00 41.12 39.61 3bbw n ASP 965 CO 0.00 0.00 0.00 0.47 -1.01 0.00 0.00 177.20 176.66 3bbw n ASP 966 N 1.37 0.00 -4.66 -1.12 8.00 -1.26 -4.95 116.55 113.93 3bbw n ASP 966 Ca 0.00 0.00 -0.24 0.00 0.71 0.00 0.00 54.79 55.26 3bbw n ASP 966 Cb 0.04 -1.22 -0.07 0.00 -0.02 0.00 0.00 41.12 39.84 3bbw n ASP 966 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 3bbw s ARG 967 N -0.19 2.36 -0.50 -1.24 3.52 -1.26 -5.10 118.95 116.54 3bbw s ARG 967 Ca 0.00 -1.31 -0.04 0.00 -0.13 0.00 0.00 55.73 54.26 3bbw s ARG 967 Cb 0.00 -2.24 0.13 0.00 -1.56 0.00 0.00 34.95 31.28 3bbw s ARG 967 CO 0.00 0.39 0.31 1.41 -0.81 0.00 0.00 175.30 176.60 3bbw s MET 968 N -3.47 2.27 0.24 5.12 -2.45 -1.26 -4.43 119.30 115.33 3bbw s MET 968 Ca 0.30 -2.07 -0.31 0.00 -1.25 0.00 0.00 55.69 52.36 3bbw s MET 968 Cb -0.07 -3.69 -0.12 0.00 1.25 0.00 0.00 34.83 32.20 3bbw s MET 968 CO 0.20 -1.13 1.64 1.63 1.05 0.00 0.00 175.02 178.41 3bbw n LYS 969 N 4.24 2.65 -5.24 4.11 5.02 -1.26 -5.01 118.16 122.67 3bbw n LYS 969 Ca 0.01 0.95 -0.31 0.00 -2.02 0.00 0.00 58.31 56.94 3bbw n LYS 969 Cb 0.40 -2.75 -0.16 0.00 -0.02 0.00 0.00 35.03 32.50 3bbw n LYS 969 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3bbw s LEU 970 N 0.43 2.09 0.62 -0.35 1.43 -1.26 -5.05 118.68 116.59 3bbw s LEU 970 Ca 0.71 -0.48 0.08 0.00 -1.03 0.00 0.00 54.13 53.41 3bbw s LEU 970 Cb -0.53 -1.34 0.11 0.00 0.03 0.00 0.00 46.19 44.46 3bbw s LEU 970 CO 0.40 0.31 0.86 -2.16 0.23 0.00 0.00 176.35 175.99 3bbw s PRO 971 N -0.70 2.11 0.00 1.29 0.05 -1.26 -5.17 135.00 131.32 3bbw s PRO 971 Ca 0.10 -1.63 0.00 0.00 0.05 0.00 0.00 61.00 59.52 3bbw s PRO 971 Cb -0.10 -2.58 0.00 0.00 0.05 0.00 0.00 34.50 31.87 3bbw s PRO 971 CO -0.01 -1.05 0.00 0.43 0.05 0.00 0.00 177.00 176.42 3bbw n SER 972 N -2.40 0.00 -0.66 6.66 7.64 -1.26 -5.30 113.62 118.30 3bbw n SER 972 Ca 0.17 0.00 0.13 0.00 1.01 0.00 0.00 58.87 60.18 3bbw n SER 972 Cb 0.62 0.00 0.37 0.00 -1.01 0.00 0.00 64.21 64.18 3bbw n SER 972 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22