#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2itt s ALA 698 N 0.00 3.46 0.36 0.62 0.00 -1.26 -4.97 121.76 119.97 2itt s ALA 698 Ca 0.00 1.07 -0.28 0.00 0.00 0.00 0.00 51.96 52.76 2itt s ALA 698 Cb 0.00 -3.41 -0.10 0.00 0.00 0.00 0.00 23.12 19.61 2itt s ALA 698 CO 0.00 -0.41 1.31 -1.25 0.00 0.00 0.00 175.76 175.41 2itt s PRO 699 N -1.38 4.21 -0.63 0.00 0.04 -1.26 -4.96 135.00 131.02 2itt s PRO 699 Ca 0.48 2.21 -0.22 0.00 0.04 0.00 0.00 61.00 63.51 2itt s PRO 699 Cb -0.36 -2.95 0.07 0.00 0.04 0.00 0.00 34.50 31.30 2itt s PRO 699 CO 0.45 -0.31 0.91 1.21 0.04 0.00 0.00 177.00 179.31 2itt s ASN 700 N -0.56 6.20 -0.31 6.66 3.04 -1.26 -4.88 114.94 123.82 2itt s ASN 700 Ca 0.52 -0.94 0.11 0.00 0.04 0.00 0.00 52.86 52.59 2itt s ASN 700 Cb -0.39 -2.40 0.77 0.00 -1.54 0.00 0.00 41.25 37.69 2itt s ASN 700 CO 0.52 -1.34 1.81 0.00 -3.04 0.00 0.00 177.10 175.05 2itt n GLN 701 N 7.44 4.01 -1.67 0.43 6.02 -1.26 -4.96 117.38 127.38 2itt n GLN 701 Ca -0.04 -3.12 -0.40 0.00 -0.01 0.00 0.00 57.00 53.43 2itt n GLN 701 Cb 0.45 -2.24 0.02 0.00 1.02 0.00 0.00 30.24 29.49 2itt n GLN 701 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2itt n ALA 702 N 0.01 0.91 -2.64 -1.58 0.00 -1.26 -4.98 120.51 110.97 2itt n ALA 702 Ca 0.39 0.21 -0.41 0.00 0.00 0.00 0.00 53.44 53.63 2itt n ALA 702 Cb 1.37 -2.21 -0.05 0.00 0.00 0.00 0.00 19.45 18.55 2itt n ALA 702 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2itt s LEU 703 N -1.61 4.09 -0.26 0.00 1.43 -1.26 -5.06 118.68 116.02 2itt s LEU 703 Ca 0.64 0.92 -0.14 0.00 -1.03 0.00 0.00 54.13 54.51 2itt s LEU 703 Cb -0.50 -3.04 -0.04 0.00 0.03 0.00 0.00 46.19 42.64 2itt s LEU 703 CO 0.56 -0.42 0.35 -0.22 0.23 0.00 0.00 176.35 176.84 2itt s LEU 704 N 2.51 4.06 -0.25 1.79 2.96 -1.26 -5.00 118.68 123.49 2itt s LEU 704 Ca 0.31 0.29 -0.11 0.00 -0.22 0.00 0.00 54.13 54.41 2itt s LEU 704 Cb -0.16 -2.39 -0.05 0.00 0.50 0.00 0.00 46.19 44.09 2itt s LEU 704 CO 0.09 -0.14 0.17 -0.60 -1.32 0.00 0.00 176.35 174.54 2itt s ARG 705 N 1.87 4.04 -0.11 1.98 3.52 -1.26 -5.02 118.95 123.97 2itt s ARG 705 Ca 0.14 -0.28 -0.19 0.00 -0.13 0.00 0.00 55.73 55.28 2itt s ARG 705 Cb -0.15 -3.57 -0.04 0.00 -1.56 0.00 0.00 34.95 29.63 2itt s ARG 705 CO 0.09 0.00 0.50 0.42 -0.81 0.00 0.00 175.30 175.51 2itt s ILE 706 N 1.22 5.17 -0.14 4.11 -1.09 -1.26 -1.16 121.20 128.05 2itt s ILE 706 Ca 0.07 1.00 -0.00 0.00 -2.23 0.00 0.00 60.65 59.49 2itt s ILE 706 Cb -0.14 -3.84 -0.01 0.00 -1.58 0.00 0.00 42.46 36.89 2itt s ILE 706 CO 0.06 0.32 -0.13 -0.76 -1.23 0.00 0.00 174.94 173.20 2itt s LEU 707 N 0.65 2.66 0.11 2.97 1.43 0.13 -4.93 118.68 121.70 2itt s LEU 707 Ca 0.27 -0.37 -0.33 0.00 -1.03 0.00 0.00 54.13 52.67 2itt s LEU 707 Cb -0.15 -1.61 -0.12 0.00 0.03 0.00 0.00 46.19 44.34 2itt s LEU 707 CO 0.11 0.13 1.73 0.29 0.23 0.00 0.00 176.35 178.84 2itt n LYS 708 N 3.74 2.42 0.30 1.70 5.02 -1.26 -4.39 118.16 125.69 2itt n LYS 708 Ca -0.18 0.88 0.17 0.00 -2.02 0.00 0.00 58.31 57.15 2itt n LYS 708 Cb 0.52 -2.71 0.86 0.00 -0.02 0.00 0.00 35.03 33.68 2itt n LYS 708 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 2itt h GLU 709 N 7.44 0.00 0.00 1.97 4.81 -1.97 -0.51 114.58 126.33 2itt h GLU 709 Ca -0.46 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 2itt h GLU 709 Cb 1.24 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.62 2itt h GLU 709 CO 0.93 0.00 0.00 1.79 -0.73 0.00 0.00 179.01 181.00 2itt h THR 710 N 0.00 0.00 0.00 0.32 1.35 -2.00 -3.23 112.91 109.35 2itt h THR 710 Ca 0.02 -0.52 0.00 0.00 -0.55 0.00 0.00 66.41 65.37 2itt h THR 710 Cb 0.63 1.47 0.00 0.00 -1.73 0.00 0.00 68.15 68.52 2itt h THR 710 CO -0.00 0.00 0.00 -0.62 -0.25 0.00 0.00 175.52 174.65 2itt n GLU 711 N -2.44 0.69 -3.67 4.72 1.02 -0.20 -4.82 120.64 115.95 2itt n GLU 711 Ca 0.04 0.01 -0.08 0.00 -0.02 0.00 0.00 57.16 57.12 2itt n GLU 711 Cb 0.40 -1.50 -0.09 0.00 -0.02 0.00 0.00 31.44 30.24 2itt n GLU 711 CO 0.00 0.00 0.00 -0.59 1.18 0.00 0.00 177.13 177.72 2itt s PHE 712 N -2.17 -0.86 -0.41 -0.32 -0.12 -1.22 0.81 117.98 113.68 2itt s PHE 712 Ca 0.35 1.73 -0.18 0.00 -0.05 0.00 0.00 56.93 58.78 2itt s PHE 712 Cb 0.18 0.46 0.02 0.00 -0.63 0.00 0.00 43.02 43.04 2itt s PHE 712 CO 0.33 -0.46 0.46 -1.59 -0.05 0.00 0.00 175.22 173.92 2itt s LYS 713 N 1.74 3.21 0.63 1.99 -2.85 -0.56 -4.93 119.74 118.97 2itt s LYS 713 Ca -0.09 -0.62 -0.18 0.00 -1.00 0.00 0.00 55.97 54.09 2itt s LYS 713 Cb -0.08 -3.94 -0.12 0.00 -2.06 0.00 0.00 37.83 31.63 2itt s LYS 713 CO -0.16 -0.82 -0.05 1.63 0.10 0.00 0.00 175.35 176.04 2itt n LYS 714 N 5.68 0.11 0.00 1.78 5.02 -1.26 -1.28 118.16 128.21 2itt n LYS 714 Ca -0.06 0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 2itt n LYS 714 Cb 0.48 -1.22 0.00 0.00 -0.02 0.00 0.00 35.03 34.26 2itt n LYS 714 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 2itt n ILE 715 N -1.84 0.00 0.00 -0.18 5.41 -0.68 -4.84 119.36 117.22 2itt n ILE 715 Ca 0.07 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.82 2itt n ILE 715 Cb 0.49 0.93 0.00 0.00 -0.71 0.00 0.00 39.64 40.35 2itt n ILE 715 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 2itt n LYS 716 N 0.00 0.00 -2.71 0.38 4.81 -1.23 -4.97 118.16 114.43 2itt n LYS 716 Ca 0.00 0.00 -0.33 0.00 -0.87 0.00 0.00 58.31 57.11 2itt n LYS 716 Cb 0.18 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 35.17 2itt n LYS 716 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2itt s VAL 717 N -1.13 4.46 0.00 3.15 1.01 -1.26 -1.56 120.40 125.08 2itt s VAL 717 Ca 0.00 1.35 0.00 0.00 0.00 0.00 0.00 61.98 63.33 2itt s VAL 717 Cb 0.00 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.74 2itt s VAL 717 CO 0.00 -0.43 0.00 0.18 0.00 0.00 0.00 175.10 174.85 2itt n LEU 718 N -0.92 0.13 -3.15 3.92 4.77 0.56 -4.76 117.00 117.53 2itt n LEU 718 Ca 0.07 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 56.07 2itt n LEU 718 Cb 0.54 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.63 2itt n LEU 718 CO 0.40 0.02 0.15 -0.83 -1.33 0.00 0.00 177.39 175.80 2itt s GLY 719 N -2.81 -1.26 0.00 -0.72 0.00 -1.04 -4.98 107.32 96.50 2itt s GLY 719 Ca 0.00 0.83 0.00 0.00 0.00 0.00 0.00 44.72 45.55 2itt s GLY 719 CO 0.00 3.75 0.00 -1.14 0.00 0.00 0.00 173.10 175.71 2itt n SER 720 N 4.92 -0.00 -1.13 1.64 3.41 -1.26 -1.79 113.62 119.41 2itt n SER 720 Ca 0.08 -0.21 0.08 0.00 -0.26 0.00 0.00 58.87 58.55 2itt n SER 720 Cb 0.56 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.47 2itt n SER 720 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2itt n GLY 721 N 4.95 -3.44 6.78 5.00 0.00 -1.24 -4.83 105.19 112.41 2itt n GLY 721 Ca 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.95 2itt n GLY 721 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2itt n ALA 722 N -3.18 -0.09 0.00 4.61 0.00 -1.26 -4.05 120.51 116.53 2itt n ALA 722 Ca -0.04 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2itt n ALA 722 Cb 0.46 -0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.88 2itt n ALA 722 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 2itt n PHE 723 N -0.77 0.00 0.00 0.00 -1.74 -1.26 -4.69 117.46 108.99 2itt n PHE 723 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.89 2itt n PHE 723 Cb 0.01 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.01 2itt n PHE 723 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 2itt n GLY 724 N 0.00 3.56 3.08 4.97 0.00 -1.26 -2.94 105.19 112.61 2itt n GLY 724 Ca 0.00 -0.10 -0.23 0.00 0.00 0.00 0.00 46.02 45.69 2itt n GLY 724 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2itt s THR 725 N 0.25 1.12 -0.12 2.61 2.01 -1.16 -3.63 115.64 116.72 2itt s THR 725 Ca 0.00 -0.56 0.02 0.00 0.31 0.00 0.00 61.69 61.46 2itt s THR 725 Cb 0.00 -0.96 -0.00 0.00 0.01 0.00 0.00 72.50 71.55 2itt s THR 725 CO 0.00 0.33 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.37 2itt s VAL 726 N -0.03 2.41 0.12 3.82 1.01 -0.74 -2.02 120.40 124.98 2itt s VAL 726 Ca -0.01 -0.88 0.08 0.00 0.00 0.00 0.00 61.98 61.17 2itt s VAL 726 Cb -0.09 -1.97 -0.04 0.00 0.00 0.00 0.00 36.38 34.28 2itt s VAL 726 CO 0.01 0.54 -0.10 -0.31 0.00 0.00 0.00 175.10 175.24 2itt s TYR 727 N 0.48 2.70 0.24 5.22 1.51 -0.50 -0.33 117.35 126.67 2itt s TYR 727 Ca -0.13 -0.18 -0.17 0.00 -1.01 0.00 0.00 57.07 55.58 2itt s TYR 727 Cb -0.17 -1.39 -0.08 0.00 -0.11 0.00 0.00 41.96 40.21 2itt s TYR 727 CO 0.05 0.44 0.69 0.21 -1.11 0.00 0.00 175.55 175.84 2itt s LYS 728 N -2.35 4.12 0.26 -0.62 2.20 -0.60 -1.41 119.74 121.35 2itt s LYS 728 Ca 0.22 0.73 -0.15 0.00 -0.36 0.00 0.00 55.97 56.40 2itt s LYS 728 Cb -0.11 -2.76 0.06 0.00 -1.51 0.00 0.00 37.83 33.51 2itt s LYS 728 CO 0.14 0.34 0.78 0.41 -0.36 0.00 0.00 175.35 176.66 2itt n GLY 729 N 0.42 0.93 3.27 5.54 0.00 0.05 -1.69 105.19 113.70 2itt n GLY 729 Ca -0.01 -1.18 -0.27 0.00 0.00 0.00 0.00 46.02 44.56 2itt n GLY 729 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2itt s LEU 730 N 0.00 2.14 -0.16 0.99 1.43 -0.41 -1.18 118.68 121.50 2itt s LEU 730 Ca 0.16 -0.51 0.01 0.00 -1.03 0.00 0.00 54.13 52.76 2itt s LEU 730 Cb -0.03 -1.07 0.02 0.00 0.03 0.00 0.00 46.19 45.13 2itt s LEU 730 CO 0.08 0.20 -0.19 0.86 0.23 0.00 0.00 176.35 177.53 2itt s TRP 731 N -0.74 2.58 -0.46 0.29 -0.00 0.18 -1.50 118.94 119.29 2itt s TRP 731 Ca 0.09 -1.45 -0.10 0.00 -0.00 0.00 0.00 56.10 54.64 2itt s TRP 731 Cb -0.09 -1.80 0.11 0.00 -0.00 0.00 0.00 33.47 31.69 2itt s TRP 731 CO 0.01 -0.72 0.34 0.42 -0.00 0.00 0.00 176.95 177.00 2itt s ILE 732 N 1.21 4.28 0.93 5.86 1.09 0.24 -0.67 121.20 134.14 2itt s ILE 732 Ca 0.02 -1.67 -0.10 0.00 -1.10 0.00 0.00 60.65 57.79 2itt s ILE 732 Cb -0.14 -3.77 0.15 0.00 -1.06 0.00 0.00 42.46 37.65 2itt s ILE 732 CO -0.09 -0.72 1.12 -2.65 -0.10 0.00 0.00 174.94 172.50 2itt n PRO 733 N 4.93 -0.54 0.00 2.79 -0.02 -1.26 -4.65 135.00 136.26 2itt n PRO 733 Ca -0.09 -0.09 0.00 0.00 -2.02 0.00 0.00 63.50 61.30 2itt n PRO 733 Cb 0.41 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 2itt n PRO 733 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2itt n GLU 734 N -4.20 0.00 -3.62 -0.52 4.07 -1.26 -3.39 120.64 111.72 2itt n GLU 734 Ca 0.11 0.00 -0.28 0.00 -0.06 0.00 0.00 57.16 56.93 2itt n GLU 734 Cb 0.52 0.00 -0.12 0.00 -0.06 0.00 0.00 31.44 31.78 2itt n GLU 734 CO 0.00 0.00 0.00 0.20 -0.06 0.00 0.00 177.13 177.27 2itt s GLY 735 N 0.00 1.64 0.00 8.31 0.00 -1.26 -4.91 107.32 111.10 2itt s GLY 735 Ca 0.00 -2.66 0.00 0.00 0.00 0.00 0.00 44.72 42.06 2itt s GLY 735 CO 0.00 1.71 0.00 1.18 0.00 0.00 0.00 173.10 175.99 2itt n GLU 736 N 3.14 1.96 -2.83 2.90 1.02 -1.22 -5.06 120.64 120.55 2itt n GLU 736 Ca 0.17 0.00 -0.16 0.00 -0.02 0.00 0.00 57.16 57.15 2itt n GLU 736 Cb 0.39 -0.19 0.03 0.00 -0.02 0.00 0.00 31.44 31.65 2itt n GLU 736 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2itt n LYS 737 N -0.18 -3.64 -4.23 3.49 3.00 -1.26 -5.02 118.16 110.31 2itt n LYS 737 Ca 0.00 0.64 -0.18 0.00 -0.00 0.00 0.00 58.31 58.77 2itt n LYS 737 Cb 0.00 -4.93 -0.11 0.00 0.00 0.00 0.00 35.03 29.98 2itt n LYS 737 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 2itt s VAL 738 N -3.01 1.30 -0.10 3.15 -7.23 -1.26 -4.89 120.40 108.36 2itt s VAL 738 Ca 0.23 -1.68 0.02 0.00 -1.81 0.00 0.00 61.98 58.74 2itt s VAL 738 Cb -0.10 -1.49 0.01 0.00 0.56 0.00 0.00 36.38 35.37 2itt s VAL 738 CO 0.29 -0.40 -0.14 -0.54 -0.31 0.00 0.00 175.10 173.99 2itt s LYS 739 N -2.59 2.09 -0.20 4.82 1.02 -0.90 -4.26 119.74 119.73 2itt s LYS 739 Ca 0.08 -0.52 0.02 0.00 0.02 0.00 0.00 55.97 55.56 2itt s LYS 739 Cb -0.05 -1.78 0.03 0.00 -0.52 0.00 0.00 37.83 35.51 2itt s LYS 739 CO 0.03 -0.05 -0.17 0.42 -0.92 0.00 0.00 175.35 174.67 2itt s ILE 740 N 0.93 2.04 0.12 2.17 1.01 0.16 -1.92 121.20 125.71 2itt s ILE 740 Ca -0.08 -1.13 -0.31 0.00 0.00 0.00 0.00 60.65 59.13 2itt s ILE 740 Cb -0.15 -1.95 -0.07 0.00 0.01 0.00 0.00 42.46 40.29 2itt s ILE 740 CO -0.00 0.35 1.31 -2.84 0.00 0.00 0.00 174.94 173.75 2itt s PRO 741 N 1.25 4.38 0.05 2.79 0.02 -1.26 -0.65 135.00 141.58 2itt s PRO 741 Ca 0.01 1.96 -0.01 0.00 0.02 0.00 0.00 61.00 62.99 2itt s PRO 741 Cb -0.15 -3.27 -0.04 0.00 0.02 0.00 0.00 34.50 31.06 2itt s PRO 741 CO -0.10 -0.33 -0.03 0.14 -0.33 0.00 0.00 177.00 176.34 2itt s VAL 742 N 0.87 0.24 0.00 3.83 -7.23 -0.33 -2.61 120.40 115.17 2itt s VAL 742 Ca 0.61 -1.63 0.02 0.00 -1.81 0.00 0.00 61.98 59.16 2itt s VAL 742 Cb -0.34 -1.28 -0.04 0.00 0.56 0.00 0.00 36.38 35.29 2itt s VAL 742 CO 0.31 -0.89 -0.00 0.00 -0.31 0.00 0.00 175.10 174.22 2itt s ALA 743 N -3.39 3.27 -0.15 1.32 0.00 0.12 -0.77 121.76 122.16 2itt s ALA 743 Ca 0.03 -0.96 -0.00 0.00 0.00 0.00 0.00 51.96 51.03 2itt s ALA 743 Cb 0.04 -1.33 0.03 0.00 0.00 0.00 0.00 23.12 21.87 2itt s ALA 743 CO -0.08 0.65 -0.08 0.42 0.00 0.00 0.00 175.76 176.67 2itt s ILE 744 N -1.09 1.20 -0.54 0.00 1.01 -0.50 -0.99 121.20 120.30 2itt s ILE 744 Ca 0.20 -0.56 -0.08 0.00 0.00 0.00 0.00 60.65 60.21 2itt s ILE 744 Cb -0.11 -1.28 0.14 0.00 0.01 0.00 0.00 42.46 41.22 2itt s ILE 744 CO 0.10 0.25 0.40 -0.75 0.00 0.00 0.00 174.94 174.95 2itt s LYS 745 N 1.61 2.59 -0.54 2.79 2.20 0.28 -1.41 119.74 127.26 2itt s LYS 745 Ca 0.02 -2.02 -0.09 0.00 -0.36 0.00 0.00 55.97 53.53 2itt s LYS 745 Cb -0.14 -3.92 0.14 0.00 -1.51 0.00 0.00 37.83 32.40 2itt s LYS 745 CO -0.08 -1.19 0.41 -2.00 -0.36 0.00 0.00 175.35 172.13 2itt s GLU 746 N 0.89 2.63 0.28 4.03 2.12 -0.86 -1.05 118.70 126.75 2itt s GLU 746 Ca 0.10 -1.98 -0.29 0.00 0.36 0.00 0.00 54.97 53.15 2itt s GLU 746 Cb -0.23 -3.96 -0.14 0.00 0.26 0.00 0.00 34.13 30.07 2itt s GLU 746 CO -0.03 -1.20 1.19 1.28 -0.54 0.00 0.00 175.26 175.96 2itt n LEU 747 N 4.55 2.52 -1.79 2.70 4.32 -1.26 -2.97 117.00 125.07 2itt n LEU 747 Ca -0.02 1.17 -0.24 0.00 -0.02 0.00 0.00 56.01 56.90 2itt n LEU 747 Cb 0.41 -1.36 -0.03 0.00 -1.62 0.00 0.00 43.42 40.81 2itt n LEU 747 CO 0.40 -0.94 0.29 -1.14 -1.22 0.00 0.00 177.39 174.79 2itt n ARG 748 N 1.10 0.00 -0.11 3.23 0.63 -1.15 -4.73 116.66 115.63 2itt n ARG 748 Ca 0.09 0.00 -0.03 0.00 -0.92 0.00 0.00 57.85 57.00 2itt n ARG 748 Cb 0.32 -0.59 -0.03 0.00 0.45 0.00 0.00 32.46 32.62 2itt n ARG 748 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 2itt n GLU 749 N 0.88 -0.11 -0.61 -0.14 -0.58 -1.26 -4.60 120.64 114.22 2itt n GLU 749 Ca 0.09 0.66 -0.24 0.00 -0.42 0.00 0.00 57.16 57.26 2itt n GLU 749 Cb 0.01 -0.98 -0.03 0.00 -0.57 0.00 0.00 31.44 29.87 2itt n GLU 749 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2itt n ALA 750 N -3.05 -0.54 -3.00 0.62 0.00 -1.26 -4.83 120.51 108.43 2itt n ALA 750 Ca 0.01 0.18 -0.43 0.00 0.00 0.00 0.00 53.44 53.19 2itt n ALA 750 Cb 0.07 -0.67 0.01 0.00 0.00 0.00 0.00 19.45 18.86 2itt n ALA 750 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2itt n THR 751 N 1.35 5.28 -2.78 0.00 -1.04 -1.26 -5.01 114.28 110.81 2itt n THR 751 Ca 0.11 -5.87 -0.42 0.00 -2.04 0.00 0.00 64.05 55.82 2itt n THR 751 Cb -0.02 -2.11 -0.03 0.00 -1.82 0.00 0.00 70.33 66.35 2itt n THR 751 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 2itt s SER 752 N -1.53 6.87 0.60 8.00 1.04 -1.26 -4.91 113.70 122.52 2itt s SER 752 Ca 0.31 1.01 0.28 0.00 0.48 0.00 0.00 55.95 58.03 2itt s SER 752 Cb 0.04 -2.48 1.08 0.00 0.10 0.00 0.00 66.02 64.75 2itt s SER 752 CO 0.09 -0.69 1.44 -0.65 0.98 0.00 0.00 173.24 174.41 2itt h PRO 753 N 7.89 0.00 -0.02 4.02 0.11 -2.00 0.93 132.00 142.93 2itt h PRO 753 Ca -0.22 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.91 2itt h PRO 753 Cb 1.08 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.15 2itt h PRO 753 CO 0.95 0.00 -0.30 -0.22 -0.21 0.00 0.00 178.00 178.22 2itt h LYS 754 N 0.00 -0.35 0.00 1.05 1.63 -2.01 -2.94 116.57 113.95 2itt h LYS 754 Ca 0.45 0.02 -0.00 0.00 -0.85 0.00 0.00 60.65 60.27 2itt h LYS 754 Cb 2.58 0.08 -0.00 0.00 -0.60 0.00 0.00 32.23 34.29 2itt h LYS 754 CO -0.00 -0.23 -0.00 0.00 -3.45 0.00 0.00 179.45 175.76 2itt h ALA 755 N -0.88 1.00 -0.30 5.00 0.00 -1.21 -2.86 119.26 120.01 2itt h ALA 755 Ca 0.01 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 2itt h ALA 755 Cb 0.40 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2itt h ALA 755 CO -0.21 0.00 -0.13 -0.91 0.00 0.00 0.00 179.25 178.00 2itt h ASN 756 N 0.00 0.63 0.13 0.00 2.35 -1.53 -1.54 115.58 115.63 2itt h ASN 756 Ca -0.00 -0.40 -0.02 0.00 -0.55 0.00 0.00 56.30 55.33 2itt h ASN 756 Cb 0.44 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 38.64 2itt h ASN 756 CO 0.00 0.89 -0.10 0.50 -1.65 0.00 0.00 177.43 177.07 2itt h LYS 757 N 0.37 0.00 0.00 0.81 3.11 -1.33 -2.18 116.57 117.36 2itt h LYS 757 Ca 0.07 0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 57.91 2itt h LYS 757 Cb 0.64 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.87 2itt h LYS 757 CO 0.04 0.10 -0.00 0.93 -2.81 0.00 0.00 179.45 177.71 2itt h GLU 758 N 0.00 -0.00 -0.05 1.90 5.08 -1.39 -2.89 114.58 117.23 2itt h GLU 758 Ca -0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 2itt h GLU 758 Cb 0.19 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 2itt h GLU 758 CO 0.01 0.89 -0.12 0.97 -1.00 0.00 0.00 179.01 179.76 2itt h ILE 759 N -0.97 1.12 0.00 3.13 2.10 -1.27 -2.32 117.51 119.29 2itt h ILE 759 Ca -0.00 -0.52 -0.15 0.00 1.08 0.00 0.00 64.86 65.27 2itt h ILE 759 Cb 0.89 1.22 -0.02 0.00 -1.09 0.00 0.00 36.82 37.82 2itt h ILE 759 CO 0.00 0.16 -0.71 -0.07 -1.08 0.00 0.00 178.15 176.45 2itt h LEU 760 N 0.07 0.00 -0.27 2.19 3.38 -1.50 -0.93 115.31 118.25 2itt h LEU 760 Ca 0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2itt h LEU 760 Cb 0.26 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 2itt h LEU 760 CO 0.02 0.71 0.14 0.44 0.09 0.00 0.00 178.44 179.84 2itt h ASP 761 N 0.00 0.34 -0.34 -0.43 3.32 -1.20 0.68 116.42 118.78 2itt h ASP 761 Ca -0.01 -0.09 0.07 0.00 0.02 0.00 0.00 57.03 57.02 2itt h ASP 761 Cb 1.38 -0.09 -0.07 0.00 0.22 0.00 0.00 39.33 40.78 2itt h ASP 761 CO 0.09 0.33 -0.12 -0.33 -1.72 0.00 0.00 179.24 177.50 2itt h GLU 762 N 0.31 -0.04 -0.41 3.56 5.08 -1.26 -1.26 114.58 120.57 2itt h GLU 762 Ca 0.09 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.53 2itt h GLU 762 Cb 0.07 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.27 2itt h GLU 762 CO -0.01 -0.03 0.04 0.00 -1.00 0.00 0.00 179.01 178.01 2itt h ALA 763 N 1.27 0.41 -0.21 3.43 0.00 -0.80 0.42 119.26 123.78 2itt h ALA 763 Ca 0.17 0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.22 2itt h ALA 763 Cb 0.30 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 2itt h ALA 763 CO -0.37 -0.36 -0.07 -0.92 0.00 0.00 0.00 179.25 177.52 2itt h TYR 764 N 0.16 -0.17 -0.13 0.00 5.03 -0.46 0.25 116.97 121.65 2itt h TYR 764 Ca 0.20 0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.51 2itt h TYR 764 Cb 0.27 0.11 -0.00 0.00 1.55 0.00 0.00 36.73 38.65 2itt h TYR 764 CO -0.24 -0.12 -0.02 0.28 -1.32 0.00 0.00 178.16 176.74 2itt h VAL 765 N -0.03 1.27 0.00 1.81 2.07 0.02 -2.91 116.25 118.48 2itt h VAL 765 Ca 0.11 -0.91 -0.04 0.00 0.82 0.00 0.00 66.70 66.68 2itt h VAL 765 Cb 0.20 1.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.58 2itt h VAL 765 CO -0.24 0.26 -0.20 0.24 0.02 0.00 0.00 177.57 177.66 2itt h MET 766 N -0.05 0.00 0.00 1.57 2.86 0.03 -0.72 114.93 118.62 2itt h MET 766 Ca 0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 2itt h MET 766 Cb 0.41 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.07 2itt h MET 766 CO 0.01 0.20 0.00 0.00 1.06 0.00 0.00 176.91 178.18 2itt h ALA 767 N 1.80 1.00 -0.44 6.32 0.00 -0.45 -2.93 119.26 124.57 2itt h ALA 767 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2itt h ALA 767 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2itt h ALA 767 CO 0.03 0.00 0.00 0.43 0.00 0.00 0.00 179.25 179.71 2itt n SER 768 N -3.04 2.56 -4.26 0.00 7.64 -0.28 -4.74 113.62 111.50 2itt n SER 768 Ca 0.03 -2.05 -0.29 0.00 1.01 0.00 0.00 58.87 57.56 2itt n SER 768 Cb 0.46 -0.33 -0.16 0.00 -1.01 0.00 0.00 64.21 63.17 2itt n SER 768 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2itt s VAL 769 N -1.46 1.86 -0.31 0.44 -7.23 -1.22 -5.04 120.40 107.44 2itt s VAL 769 Ca 0.31 -1.00 0.01 0.00 -1.81 0.00 0.00 61.98 59.49 2itt s VAL 769 Cb 0.17 -1.55 0.15 0.00 0.56 0.00 0.00 36.38 35.71 2itt s VAL 769 CO 0.20 0.53 0.35 -0.62 -0.31 0.00 0.00 175.10 175.24 2itt s ASP 770 N -0.50 1.18 -0.24 4.85 2.15 -1.26 -4.82 116.67 118.03 2itt s ASP 770 Ca 0.08 -0.87 -0.26 0.00 0.43 0.00 0.00 52.55 51.93 2itt s ASP 770 Cb -0.10 0.69 0.10 0.00 -0.30 0.00 0.00 42.92 43.31 2itt s ASP 770 CO -0.00 -0.35 0.87 0.21 -0.17 0.00 0.00 175.17 175.73 2itt s ASN 771 N 2.17 -0.58 0.30 -0.34 3.84 -1.26 -5.04 114.94 114.02 2itt s ASN 771 Ca 0.11 1.03 0.18 0.00 0.21 0.00 0.00 52.86 54.40 2itt s ASN 771 Cb -0.14 1.02 1.00 0.00 -0.55 0.00 0.00 41.25 42.58 2itt s ASN 771 CO -0.25 -0.26 1.54 -2.65 -2.79 0.00 0.00 177.10 172.69 2itt n PRO 772 N 2.11 0.12 -0.46 0.43 -0.02 -1.26 -1.66 135.00 134.26 2itt n PRO 772 Ca -0.14 0.61 0.05 0.00 -2.02 0.00 0.00 63.50 62.01 2itt n PRO 772 Cb 0.56 -1.96 0.20 0.00 -0.02 0.00 0.00 33.50 32.28 2itt n PRO 772 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 2itt n HIS 773 N -2.16 0.52 -4.15 6.00 8.25 -1.26 -4.78 115.22 117.64 2itt n HIS 773 Ca -0.01 -1.22 -0.19 0.00 -0.26 0.00 0.00 57.72 56.04 2itt n HIS 773 Cb 0.09 -0.30 -0.16 0.00 1.12 0.00 0.00 29.99 30.75 2itt n HIS 773 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2itt s VAL 774 N -3.03 0.47 -0.01 1.59 1.01 -0.66 -0.85 120.40 118.91 2itt s VAL 774 Ca 0.39 -0.13 -0.30 0.00 0.00 0.00 0.00 61.98 61.94 2itt s VAL 774 Cb 0.35 -0.48 -0.06 0.00 0.00 0.00 0.00 36.38 36.19 2itt s VAL 774 CO 0.02 0.19 1.57 0.00 0.00 0.00 0.00 175.10 176.87 2itt s ARG 776 N 3.18 3.56 0.06 0.00 3.52 -1.26 -4.92 118.95 123.08 2itt s ARG 776 Ca 0.70 -0.08 -0.31 0.00 -0.13 0.00 0.00 55.73 55.91 2itt s ARG 776 Cb -0.34 -3.11 -0.07 0.00 -1.56 0.00 0.00 34.95 29.88 2itt s ARG 776 CO 0.29 0.67 1.37 -1.17 -0.81 0.00 0.00 175.30 175.65 2itt s LEU 777 N -1.63 4.35 0.03 -0.88 2.96 -1.10 -3.82 118.68 118.59 2itt s LEU 777 Ca 0.25 2.20 0.10 0.00 -0.22 0.00 0.00 54.13 56.47 2itt s LEU 777 Cb -0.13 -3.58 -0.22 0.00 0.50 0.00 0.00 46.19 42.77 2itt s LEU 777 CO 0.14 -0.65 0.94 -0.07 -1.32 0.00 0.00 176.35 175.39 2itt h LEU 778 N 7.40 0.00 0.00 -0.68 3.38 -1.11 -3.45 115.31 120.85 2itt h LEU 778 Ca -0.40 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.57 2itt h LEU 778 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 2itt h LEU 778 CO 0.87 0.98 0.00 0.61 0.09 0.00 0.00 178.44 180.99 2itt n GLY 779 N 1.46 -2.37 3.46 0.83 0.00 -1.12 -4.56 105.19 102.89 2itt n GLY 779 Ca -0.09 -1.23 -0.25 0.00 0.00 0.00 0.00 46.02 44.45 2itt n GLY 779 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2itt s ILE 780 N -2.07 2.44 -0.16 -0.61 -4.36 -0.31 -1.65 121.20 114.49 2itt s ILE 780 Ca 0.00 -2.30 0.01 0.00 -0.26 0.00 0.00 60.65 58.10 2itt s ILE 780 Cb 0.00 -2.25 0.02 0.00 1.25 0.00 0.00 42.46 41.48 2itt s ILE 780 CO 0.00 -0.32 -0.17 0.00 0.24 0.00 0.00 174.94 174.70 2itt n LEU 782 N 4.62 6.92 -0.02 0.00 4.77 -1.26 -1.15 117.00 130.88 2itt n LEU 782 Ca -0.19 -5.06 -0.17 0.00 -0.03 0.00 0.00 56.01 50.57 2itt n LEU 782 Cb 0.50 -1.32 -0.14 0.00 -2.33 0.00 0.00 43.42 40.14 2itt n LEU 782 CO 0.24 1.74 0.24 0.71 -1.33 0.00 0.00 177.39 178.99 2itt h THR 783 N 3.15 1.67 0.00 -5.08 1.35 -1.95 -3.45 112.91 108.59 2itt h THR 783 Ca 0.39 -2.42 0.00 0.00 -0.55 0.00 0.00 66.41 63.83 2itt h THR 783 Cb 0.51 3.29 0.00 0.00 -1.73 0.00 0.00 68.15 70.22 2itt h THR 783 CO 1.40 0.65 0.00 -1.20 -0.25 0.00 0.00 175.52 176.13 2itt n SER 784 N -4.40 0.00 -3.89 5.36 7.64 -1.26 -5.06 113.62 112.01 2itt n SER 784 Ca -0.12 0.00 -0.15 0.00 1.01 0.00 0.00 58.87 59.62 2itt n SER 784 Cb 0.63 0.00 -0.15 0.00 -1.01 0.00 0.00 64.21 63.68 2itt n SER 784 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2itt s THR 785 N -0.42 0.22 -0.25 0.44 -1.32 -1.26 -4.96 115.64 108.09 2itt s THR 785 Ca 0.00 -0.07 -0.29 0.00 -1.21 0.00 0.00 61.69 60.12 2itt s THR 785 Cb 0.00 -0.22 -0.00 0.00 -1.51 0.00 0.00 72.50 70.77 2itt s THR 785 CO 0.00 0.08 1.25 -0.69 -2.21 0.00 0.00 174.62 173.06 2itt s VAL 786 N 0.21 4.26 -0.13 5.08 1.01 -1.26 -4.77 120.40 124.80 2itt s VAL 786 Ca -0.02 1.47 -0.23 0.00 0.00 0.00 0.00 61.98 63.21 2itt s VAL 786 Cb -0.04 -4.13 -0.03 0.00 0.00 0.00 0.00 36.38 32.18 2itt s VAL 786 CO -0.01 -0.33 0.69 -1.10 0.00 0.00 0.00 175.10 174.35 2itt s GLN 787 N 3.81 4.34 0.02 2.72 -0.21 -0.30 -4.28 119.66 125.76 2itt s GLN 787 Ca 0.54 0.80 -0.24 0.00 0.02 0.00 0.00 55.36 56.47 2itt s GLN 787 Cb -0.18 -3.51 -0.05 0.00 1.00 0.00 0.00 33.01 30.27 2itt s GLN 787 CO 0.18 -0.09 0.74 -0.51 -2.12 0.00 0.00 175.29 173.50 2itt s LEU 788 N 1.34 4.42 -0.12 2.90 1.02 -0.21 -1.63 118.68 126.40 2itt s LEU 788 Ca 0.34 1.38 0.02 0.00 0.02 0.00 0.00 54.13 55.89 2itt s LEU 788 Cb -0.17 -3.18 0.01 0.00 0.02 0.00 0.00 46.19 42.87 2itt s LEU 788 CO 0.14 -0.00 -0.18 -0.63 0.02 0.00 0.00 176.35 175.70 2itt s ILE 789 N 0.10 1.73 0.06 -0.59 1.09 -0.66 0.10 121.20 123.02 2itt s ILE 789 Ca 0.38 -0.78 -0.06 0.00 -1.10 0.00 0.00 60.65 59.09 2itt s ILE 789 Cb -0.20 -1.56 -0.01 0.00 -1.06 0.00 0.00 42.46 39.63 2itt s ILE 789 CO 0.22 0.49 0.11 0.28 -0.10 0.00 0.00 174.94 175.94 2itt s THR 790 N 0.94 0.15 -0.10 2.92 -1.32 -0.16 -0.44 115.64 117.63 2itt s THR 790 Ca -0.06 -1.24 -0.39 0.00 -1.21 0.00 0.00 61.69 58.78 2itt s THR 790 Cb -0.15 -1.17 -0.17 0.00 -1.51 0.00 0.00 72.50 69.50 2itt s THR 790 CO -0.02 -0.69 1.46 1.67 -2.21 0.00 0.00 174.62 174.83 2itt n GLN 791 N 0.35 0.87 -1.68 7.08 7.27 -1.25 0.12 117.38 130.14 2itt n GLN 791 Ca -0.17 0.32 -0.45 0.00 0.07 0.00 0.00 57.00 56.77 2itt n GLN 791 Cb 0.60 -1.94 -0.04 0.00 2.41 0.00 0.00 30.24 31.28 2itt n GLN 791 CO 0.00 0.00 0.00 -0.11 0.07 0.00 0.00 177.06 177.02 2itt n LEU 792 N 3.46 3.58 -4.17 1.69 7.94 -1.07 -4.37 117.00 124.06 2itt n LEU 792 Ca 0.23 1.01 -0.40 0.00 -1.11 0.00 0.00 56.01 55.74 2itt n LEU 792 Cb 0.13 -1.46 -0.08 0.00 0.53 0.00 0.00 43.42 42.54 2itt n LEU 792 CO 0.71 -0.03 0.05 -0.04 -1.11 0.00 0.00 177.39 176.97 2itt s MET 793 N 2.64 2.62 0.46 1.96 -1.94 -1.26 -4.92 119.30 118.86 2itt s MET 793 Ca 0.84 -2.16 0.31 0.00 -1.71 0.00 0.00 55.69 52.97 2itt s MET 793 Cb -0.60 -3.89 1.51 0.00 2.01 0.00 0.00 34.83 33.86 2itt s MET 793 CO 0.42 -1.19 1.95 -1.35 -0.01 0.00 0.00 175.02 174.84 2itt h PRO 794 N 7.77 0.00 -0.15 2.03 0.11 -1.79 -2.54 132.00 137.42 2itt h PRO 794 Ca -0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.03 2itt h PRO 794 Cb 1.02 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.13 2itt h PRO 794 CO 0.77 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 179.75 2itt n PHE 795 N -2.69 0.18 -4.28 0.65 3.01 -1.13 -5.04 117.46 108.16 2itt n PHE 795 Ca -0.00 -0.09 0.00 0.00 1.01 0.00 0.00 57.45 58.36 2itt n PHE 795 Cb 0.16 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.63 2itt n PHE 795 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2itt n GLY 796 N 1.29 -1.13 3.85 1.37 0.00 -0.96 -4.74 105.19 104.88 2itt n GLY 796 Ca 0.17 -1.22 -0.32 0.00 0.00 0.00 0.00 46.02 44.66 2itt n GLY 796 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2itt h LEU 798 N 0.64 0.00 0.65 0.00 5.85 -0.58 -2.14 115.31 119.73 2itt h LEU 798 Ca -0.46 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.23 2itt h LEU 798 Cb 1.19 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.22 2itt h LEU 798 CO 0.62 0.24 -0.33 0.25 -0.34 0.00 0.00 178.44 178.87 2itt h LEU 799 N 0.00 -0.79 -1.40 2.25 5.85 -1.68 -0.65 115.31 118.90 2itt h LEU 799 Ca -0.00 0.03 0.15 0.00 0.84 0.00 0.00 57.88 58.90 2itt h LEU 799 Cb 0.70 0.21 -0.06 0.00 0.37 0.00 0.00 40.66 41.88 2itt h LEU 799 CO 0.03 -0.55 0.56 0.44 -0.34 0.00 0.00 178.44 178.58 2itt h ASP 800 N -0.90 0.55 -0.04 1.25 3.45 -1.84 -0.83 116.42 118.06 2itt h ASP 800 Ca -0.09 0.04 -0.21 0.00 0.43 0.00 0.00 57.03 57.20 2itt h ASP 800 Cb 0.70 -0.07 0.01 0.00 -0.56 0.00 0.00 39.33 39.40 2itt h ASP 800 CO 0.14 0.27 -0.75 0.22 -1.57 0.00 0.00 179.24 177.55 2itt h TYR 801 N 0.57 0.92 -0.36 4.55 5.03 -1.05 -1.28 116.97 125.35 2itt h TYR 801 Ca 0.43 -0.40 -0.17 0.00 2.58 0.00 0.00 58.73 61.17 2itt h TYR 801 Cb 0.82 -0.15 -0.00 0.00 1.55 0.00 0.00 36.73 38.95 2itt h TYR 801 CO -0.00 1.21 -0.42 -0.39 -1.32 0.00 0.00 178.16 177.24 2itt h VAL 802 N 0.48 1.27 -0.95 1.81 -1.51 -0.36 -2.34 116.25 114.65 2itt h VAL 802 Ca -0.04 -1.60 0.12 0.00 -1.23 0.00 0.00 66.70 63.95 2itt h VAL 802 Cb 1.36 1.44 -0.08 0.00 -2.13 0.00 0.00 31.29 31.88 2itt h VAL 802 CO 0.15 0.53 0.61 0.03 -1.23 0.00 0.00 177.57 177.66 2itt h ARG 803 N 0.74 0.87 0.00 5.19 3.08 -0.99 0.52 114.38 123.78 2itt h ARG 803 Ca 0.05 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2itt h ARG 803 Cb 1.02 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.87 2itt h ARG 803 CO 0.10 0.58 -0.72 -1.91 -1.07 0.00 0.00 179.97 176.94 2itt n GLU 804 N -4.58 0.22 -0.08 0.04 2.13 -0.50 -4.13 120.64 113.74 2itt n GLU 804 Ca 0.18 0.04 0.02 0.00 0.66 0.00 0.00 57.16 58.05 2itt n GLU 804 Cb 0.37 -1.61 0.03 0.00 0.27 0.00 0.00 31.44 30.50 2itt n GLU 804 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 2itt n HIS 805 N -1.92 0.00 -0.13 4.31 8.25 -0.88 -4.86 115.22 119.99 2itt n HIS 805 Ca 0.03 -0.39 0.03 0.00 -0.26 0.00 0.00 57.72 57.13 2itt n HIS 805 Cb 0.41 -0.06 0.06 0.00 1.12 0.00 0.00 29.99 31.53 2itt n HIS 805 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 2itt n LYS 806 N -0.47 -0.03 0.00 -0.41 2.85 0.12 0.96 118.16 121.17 2itt n LYS 806 Ca 0.03 0.57 0.08 0.00 -1.05 0.00 0.00 58.31 57.94 2itt n LYS 806 Cb 0.45 -0.86 0.37 0.00 -0.65 0.00 0.00 35.03 34.35 2itt n LYS 806 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2itt n ASP 807 N -4.56 0.00 0.00 -5.58 8.00 -1.26 -3.20 116.55 109.95 2itt n ASP 807 Ca 0.06 0.21 0.00 0.00 0.71 0.00 0.00 54.79 55.77 2itt n ASP 807 Cb 0.20 -0.36 0.00 0.00 -0.02 0.00 0.00 41.12 40.94 2itt n ASP 807 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2itt n ASN 808 N -1.36 1.46 -4.50 -2.24 5.15 0.27 -5.01 115.26 109.04 2itt n ASN 808 Ca 0.06 -1.53 -0.42 0.00 -0.60 0.00 0.00 54.58 52.10 2itt n ASN 808 Cb 0.14 0.00 -0.10 0.00 -0.53 0.00 0.00 39.78 39.29 2itt n ASN 808 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2itt s ILE 809 N -0.53 5.26 0.64 -1.44 1.01 -1.18 -4.35 121.20 120.61 2itt s ILE 809 Ca 0.00 -0.42 -0.08 0.00 0.00 0.00 0.00 60.65 60.15 2itt s ILE 809 Cb 0.00 -3.83 0.02 0.00 0.01 0.00 0.00 42.46 38.65 2itt s ILE 809 CO 0.00 -0.17 0.97 -0.83 0.00 0.00 0.00 174.94 174.91 2itt s GLY 810 N 1.71 1.62 0.32 6.18 0.00 -1.26 -4.96 107.32 110.93 2itt s GLY 810 Ca 0.06 -0.62 0.06 0.00 0.00 0.00 0.00 44.72 44.23 2itt s GLY 810 CO 0.10 -0.29 1.83 1.48 0.00 0.00 0.00 173.10 176.22 2itt h SER 811 N -0.37 0.76 -1.00 1.64 4.64 -1.91 -2.16 113.55 115.15 2itt h SER 811 Ca -0.45 0.06 0.11 0.00 -0.47 0.00 0.00 61.79 61.03 2itt h SER 811 Cb 1.26 -0.09 -0.08 0.00 -0.31 0.00 0.00 62.40 63.18 2itt h SER 811 CO 0.62 0.35 0.63 -0.61 -0.87 0.00 0.00 176.83 176.95 2itt h GLN 812 N 0.78 1.00 0.10 4.77 5.75 -1.94 -1.57 115.11 124.00 2itt h GLN 812 Ca 0.50 -0.06 -0.25 0.00 -0.15 0.00 0.00 58.65 58.69 2itt h GLN 812 Cb 0.73 -0.22 0.02 0.00 1.07 0.00 0.00 27.48 29.08 2itt h GLN 812 CO -0.27 0.66 -1.03 1.88 -2.65 0.00 0.00 178.83 177.42 2itt h TYR 813 N 1.03 0.85 -0.61 3.99 0.05 -1.79 -1.68 116.97 118.80 2itt h TYR 813 Ca 0.48 -0.53 -0.07 0.00 0.05 0.00 0.00 58.73 58.66 2itt h TYR 813 Cb 0.42 -0.07 -0.03 0.00 1.01 0.00 0.00 36.73 38.06 2itt h TYR 813 CO -0.01 1.38 0.12 -0.07 -1.05 0.00 0.00 178.16 178.53 2itt h LEU 814 N 0.08 0.93 -0.07 3.88 3.38 -1.13 0.22 115.31 122.60 2itt h LEU 814 Ca -0.16 -0.20 -0.24 0.00 0.09 0.00 0.00 57.88 57.38 2itt h LEU 814 Cb 1.74 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 42.24 2itt h LEU 814 CO 0.20 0.92 -1.05 -0.07 0.09 0.00 0.00 178.44 178.52 2itt h LEU 815 N 0.93 0.42 -0.23 1.67 3.38 -1.32 -2.30 115.31 117.87 2itt h LEU 815 Ca 0.19 -0.39 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 2itt h LEU 815 Cb 0.38 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 2itt h LEU 815 CO 0.01 1.23 0.10 0.78 0.09 0.00 0.00 178.44 180.65 2itt h ASN 816 N 0.14 0.32 -0.79 -0.43 2.35 -1.10 0.03 115.58 116.09 2itt h ASN 816 Ca -0.09 -0.16 0.17 0.00 -0.55 0.00 0.00 56.30 55.67 2itt h ASN 816 Cb 1.73 -0.08 -0.11 0.00 0.05 0.00 0.00 38.32 39.91 2itt h ASN 816 CO 0.17 0.39 0.29 -0.50 -1.65 0.00 0.00 177.43 176.13 2itt h TRP 817 N 0.23 0.47 -0.51 1.19 6.55 -0.90 0.21 115.95 123.19 2itt h TRP 817 Ca 0.08 0.04 -0.03 0.00 0.95 0.00 0.00 58.89 59.92 2itt h TRP 817 Cb 0.17 -0.09 -0.02 0.00 -0.86 0.00 0.00 29.16 28.36 2itt h TRP 817 CO -0.01 -0.01 0.18 0.00 -1.05 0.00 0.00 178.44 177.55 2itt h VAL 819 N 0.69 1.18 -0.30 0.00 2.07 0.51 -2.35 116.25 118.05 2itt h VAL 819 Ca 0.17 -0.34 -0.18 0.00 0.82 0.00 0.00 66.70 67.17 2itt h VAL 819 Cb 0.23 0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 30.17 2itt h VAL 819 CO -0.01 0.18 -0.52 1.56 0.02 0.00 0.00 177.57 178.80 2itt h GLN 820 N 0.94 0.85 -0.16 1.57 4.20 0.15 -1.59 115.11 121.07 2itt h GLN 820 Ca 0.25 -0.52 -0.10 0.00 0.06 0.00 0.00 58.65 58.34 2itt h GLN 820 Cb -0.10 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 2itt h GLN 820 CO -0.05 1.16 -0.33 0.82 -0.67 0.00 0.00 178.83 179.75 2itt h ILE 821 N 0.66 1.28 -0.19 2.54 2.04 -1.12 -1.25 117.51 121.46 2itt h ILE 821 Ca 0.02 -1.36 -0.05 0.00 1.00 0.00 0.00 64.86 64.47 2itt h ILE 821 Cb 1.12 1.52 -0.01 0.00 -0.74 0.00 0.00 36.82 38.71 2itt h ILE 821 CO 0.12 0.42 -0.08 0.00 0.00 0.00 0.00 178.15 178.60 2itt h ALA 822 N 1.37 0.27 -0.51 1.87 0.00 -1.21 -0.16 119.26 120.89 2itt h ALA 822 Ca 0.04 -0.27 0.05 0.00 0.00 0.00 0.00 54.91 54.73 2itt h ALA 822 Cb 0.72 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.40 2itt h ALA 822 CO 0.06 0.08 0.23 0.87 0.00 0.00 0.00 179.25 180.48 2itt h LYS 823 N 0.09 0.43 -0.05 0.00 1.57 -1.01 0.33 116.57 117.94 2itt h LYS 823 Ca 0.05 -0.03 0.04 0.00 -1.87 0.00 0.00 60.65 58.84 2itt h LYS 823 Cb 0.55 -0.10 -0.06 0.00 0.08 0.00 0.00 32.23 32.70 2itt h LYS 823 CO 0.02 0.29 -0.39 0.78 -0.57 0.00 0.00 179.45 179.58 2itt h GLY 824 N 0.45 -0.68 1.41 3.86 0.00 -1.07 -0.17 103.07 106.86 2itt h GLY 824 Ca 0.23 0.48 -0.08 0.00 0.00 0.00 0.00 47.33 47.96 2itt h GLY 824 CO -0.19 -0.24 -0.07 -0.33 0.00 0.00 0.00 176.54 175.71 2itt h MET 825 N -0.52 0.71 -0.60 4.80 2.86 -0.32 -1.43 114.93 120.43 2itt h MET 825 Ca 0.06 -0.21 -0.05 0.00 -2.06 0.00 0.00 59.70 57.44 2itt h MET 825 Cb 0.62 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 32.18 2itt h MET 825 CO -0.33 0.77 0.17 -0.97 1.06 0.00 0.00 176.91 177.61 2itt h ASN 826 N 0.66 0.85 -0.18 1.22 -1.24 0.07 -1.61 115.58 115.35 2itt h ASN 826 Ca 0.12 -0.15 -0.00 0.00 0.71 0.00 0.00 56.30 56.98 2itt h ASN 826 Cb 0.51 -0.22 -0.01 0.00 0.73 0.00 0.00 38.32 39.33 2itt h ASN 826 CO 0.03 0.81 0.11 0.22 -1.29 0.00 0.00 177.43 177.31 2itt h TYR 827 N 0.89 0.24 -0.71 0.67 3.20 0.00 -1.20 116.97 120.06 2itt h TYR 827 Ca 0.20 0.00 0.11 0.00 3.14 0.00 0.00 58.73 62.17 2itt h TYR 827 Cb 0.28 -0.08 -0.08 0.00 1.54 0.00 0.00 36.73 38.39 2itt h TYR 827 CO 0.02 0.19 0.32 -0.07 -1.64 0.00 0.00 178.16 176.98 2itt h LEU 828 N 0.22 0.38 -0.72 2.82 3.38 -0.96 -1.65 115.31 118.77 2itt h LEU 828 Ca 0.06 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 2itt h LEU 828 Cb 0.02 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 2itt h LEU 828 CO -0.01 0.20 0.40 -0.08 0.09 0.00 0.00 178.44 179.04 2itt h GLU 829 N 0.53 1.00 -0.88 1.13 4.81 -0.81 0.26 114.58 120.61 2itt h GLU 829 Ca 0.36 -0.11 0.13 0.00 -0.13 0.00 0.00 59.36 59.60 2itt h GLU 829 Cb 0.44 -0.20 -0.07 0.00 0.63 0.00 0.00 28.75 29.56 2itt h GLU 829 CO -0.31 0.74 0.57 -0.44 -0.73 0.00 0.00 179.01 178.84 2itt h ASP 830 N 0.99 0.70 -0.49 1.04 3.45 -0.32 0.12 116.42 121.91 2itt h ASP 830 Ca 0.25 0.03 0.00 0.00 0.43 0.00 0.00 57.03 57.75 2itt h ASP 830 Cb 0.03 -0.11 0.00 0.00 -0.56 0.00 0.00 39.33 38.69 2itt h ASP 830 CO -0.04 0.38 0.00 0.54 -1.57 0.00 0.00 179.24 178.54 2itt n ARG 831 N -4.55 3.91 -3.20 3.56 5.12 -0.12 -4.91 116.66 116.47 2itt n ARG 831 Ca 0.16 -2.50 -0.22 0.00 -1.93 0.00 0.00 57.85 53.36 2itt n ARG 831 Cb 0.41 -2.03 0.00 0.00 -1.16 0.00 0.00 32.46 29.68 2itt n ARG 831 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2itt n ARG 832 N 0.62 -3.54 -3.89 5.56 1.74 0.42 -4.96 116.66 112.61 2itt n ARG 832 Ca 0.22 0.56 -0.37 0.00 -0.77 0.00 0.00 57.85 57.50 2itt n ARG 832 Cb 0.95 -5.29 -0.06 0.00 -1.02 0.00 0.00 32.46 27.04 2itt n ARG 832 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2itt s LEU 833 N -6.42 4.38 -0.21 0.55 1.43 0.69 -2.53 118.68 116.58 2itt s LEU 833 Ca 0.34 0.46 -0.05 0.00 -1.03 0.00 0.00 54.13 53.85 2itt s LEU 833 Cb -0.17 -2.10 -0.02 0.00 0.03 0.00 0.00 46.19 43.92 2itt s LEU 833 CO 0.42 0.40 -0.00 -0.69 0.23 0.00 0.00 176.35 176.70 2itt s VAL 834 N -1.05 3.86 0.07 -1.59 1.01 0.28 -4.11 120.40 118.88 2itt s VAL 834 Ca 0.16 -0.34 -0.17 0.00 0.00 0.00 0.00 61.98 61.63 2itt s VAL 834 Cb -0.12 -2.75 -0.12 0.00 0.00 0.00 0.00 36.38 33.39 2itt s VAL 834 CO 0.05 0.42 1.36 -0.74 0.00 0.00 0.00 175.10 176.19 2itt h HIS 835 N 7.65 0.71 0.00 5.22 2.76 -1.88 -1.83 115.15 127.77 2itt h HIS 835 Ca -0.37 -0.23 0.00 0.00 -2.20 0.00 0.00 60.37 57.57 2itt h HIS 835 Cb 1.18 -0.14 0.00 0.00 1.55 0.00 0.00 27.41 30.00 2itt h HIS 835 CO 0.59 0.96 0.00 0.54 -1.30 0.00 0.00 177.93 178.72 2itt n ARG 836 N -4.33 -0.94 -2.48 5.26 1.74 -1.26 -2.67 116.66 111.98 2itt n ARG 836 Ca -0.05 0.24 -0.02 0.00 -0.77 0.00 0.00 57.85 57.24 2itt n ARG 836 Cb 0.47 -4.30 0.09 0.00 -1.02 0.00 0.00 32.46 27.70 2itt n ARG 836 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2itt n ASP 837 N -0.47 -0.63 -4.74 0.55 2.03 -1.26 -4.96 116.55 107.08 2itt n ASP 837 Ca 0.00 -2.14 -0.41 0.00 0.52 0.00 0.00 54.79 52.76 2itt n ASP 837 Cb 0.24 0.34 -0.04 0.00 -0.72 0.00 0.00 41.12 40.94 2itt n ASP 837 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 2itt s LEU 838 N -3.44 4.47 -0.10 -2.67 2.96 -1.26 -4.78 118.68 113.85 2itt s LEU 838 Ca 0.13 2.11 -0.32 0.00 -0.22 0.00 0.00 54.13 55.83 2itt s LEU 838 Cb 0.37 -3.60 0.12 0.00 0.50 0.00 0.00 46.19 43.58 2itt s LEU 838 CO -0.10 -0.27 1.09 0.00 -1.32 0.00 0.00 176.35 175.75 2itt s ALA 839 N -0.11 -1.98 -0.36 5.97 0.00 -1.26 -4.76 121.76 119.27 2itt s ALA 839 Ca 0.51 1.28 0.26 0.00 0.00 0.00 0.00 51.96 54.01 2itt s ALA 839 Cb -0.30 0.13 1.04 0.00 0.00 0.00 0.00 23.12 24.00 2itt s ALA 839 CO 0.35 -0.67 1.78 0.00 0.00 0.00 0.00 175.76 177.22 2itt h ALA 840 N 2.00 1.00 0.00 0.00 0.00 -1.92 -0.30 119.26 120.04 2itt h ALA 840 Ca -0.16 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 2itt h ALA 840 Cb 1.20 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 2itt h ALA 840 CO 0.26 0.00 -0.09 0.07 0.00 0.00 0.00 179.25 179.49 2itt h ARG 841 N 0.00 0.00 -0.74 0.00 0.11 -1.95 -2.31 114.38 109.50 2itt h ARG 841 Ca 0.00 0.00 -0.39 0.00 0.10 0.00 0.00 59.98 59.69 2itt h ARG 841 Cb 0.46 0.00 -0.23 0.00 1.11 0.00 0.00 29.97 31.31 2itt h ARG 841 CO 0.00 0.09 0.35 0.09 0.10 0.00 0.00 179.97 180.60 2itt n ASN 842 N -3.16 3.27 -4.15 0.08 3.02 -0.13 -4.75 115.26 109.44 2itt n ASN 842 Ca 0.02 -3.69 -0.29 0.00 -0.03 0.00 0.00 54.58 50.59 2itt n ASN 842 Cb 0.45 -0.76 -0.17 0.00 -0.61 0.00 0.00 39.78 38.70 2itt n ASN 842 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2itt s VAL 843 N -3.31 1.69 0.26 2.41 1.01 -1.16 -1.08 120.40 120.22 2itt s VAL 843 Ca 0.52 -0.81 0.08 0.00 0.00 0.00 0.00 61.98 61.77 2itt s VAL 843 Cb 0.45 -1.48 -0.04 0.00 0.00 0.00 0.00 36.38 35.31 2itt s VAL 843 CO 0.06 0.48 0.12 -0.76 0.00 0.00 0.00 175.10 175.00 2itt s LEU 844 N 0.44 3.59 -0.29 3.92 1.43 0.11 -0.31 118.68 127.57 2itt s LEU 844 Ca -0.16 -0.39 -0.05 0.00 -1.03 0.00 0.00 54.13 52.49 2itt s LEU 844 Cb -0.17 -2.12 0.02 0.00 0.03 0.00 0.00 46.19 43.95 2itt s LEU 844 CO 0.07 -0.02 0.05 -0.69 0.23 0.00 0.00 176.35 175.98 2itt s VAL 845 N -2.19 3.59 -0.06 -1.59 1.01 -0.40 -0.65 120.40 120.10 2itt s VAL 845 Ca 0.32 -0.92 -0.08 0.00 0.00 0.00 0.00 61.98 61.30 2itt s VAL 845 Cb -0.07 -2.90 -0.29 0.00 0.00 0.00 0.00 36.38 33.11 2itt s VAL 845 CO 0.23 0.04 0.60 0.50 0.00 0.00 0.00 175.10 176.47 2itt h LYS 846 N 8.16 0.34 -4.08 2.72 3.64 -1.21 -2.99 116.57 123.14 2itt h LYS 846 Ca -0.29 -0.57 -0.13 0.00 -1.27 0.00 0.00 60.65 58.39 2itt h LYS 846 Cb 1.11 0.21 -0.14 0.00 -0.41 0.00 0.00 32.23 33.00 2itt h LYS 846 CO 0.59 1.25 -0.47 0.95 -2.27 0.00 0.00 179.45 179.50 2itt s THR 847 N -2.58 0.10 0.65 1.00 -4.23 -1.15 -4.52 115.64 104.92 2itt s THR 847 Ca -0.17 -1.57 0.36 0.00 -1.18 0.00 0.00 61.69 59.13 2itt s THR 847 Cb 0.06 -1.80 0.37 0.00 1.34 0.00 0.00 72.50 72.47 2itt s THR 847 CO 0.83 -0.47 2.15 -0.65 -0.54 0.00 0.00 174.62 175.94 2itt h PRO 848 N 2.74 0.00 -0.23 3.99 0.11 -1.92 0.24 132.00 136.92 2itt h PRO 848 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 2itt h PRO 848 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2itt h PRO 848 CO 0.55 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.34 2itt n GLN 849 N -3.16 1.95 -3.44 1.05 0.00 -1.26 -4.89 117.38 107.63 2itt n GLN 849 Ca -0.02 -1.43 -0.17 0.00 0.00 0.00 0.00 57.00 55.38 2itt n GLN 849 Cb 0.24 -1.42 -0.11 0.00 0.00 0.00 0.00 30.24 28.95 2itt n GLN 849 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.06 175.48 2itt s HIS 850 N -1.71 -0.39 0.28 2.61 5.04 0.83 -4.99 115.29 116.97 2itt s HIS 850 Ca 0.34 0.08 0.09 0.00 -1.54 0.00 0.00 55.06 54.03 2itt s HIS 850 Cb 0.19 -0.38 -0.04 0.00 0.04 0.00 0.00 32.58 32.38 2itt s HIS 850 CO 0.27 -0.75 0.01 0.14 -2.34 0.00 0.00 174.74 172.07 2itt s VAL 851 N 2.36 3.30 -0.06 0.89 -7.23 -1.26 -0.66 120.40 117.73 2itt s VAL 851 Ca 0.09 -1.90 -0.08 0.00 -1.81 0.00 0.00 61.98 58.27 2itt s VAL 851 Cb -0.15 -2.84 0.02 0.00 0.56 0.00 0.00 36.38 33.96 2itt s VAL 851 CO -0.22 -0.34 0.21 -0.54 -0.31 0.00 0.00 175.10 173.91 2itt s LYS 852 N -3.70 0.33 0.27 4.82 1.02 0.17 -4.60 119.74 118.05 2itt s LYS 852 Ca 0.32 0.16 -0.29 0.00 0.02 0.00 0.00 55.97 56.18 2itt s LYS 852 Cb -0.05 0.15 -0.09 0.00 -0.52 0.00 0.00 37.83 37.31 2itt s LYS 852 CO 0.20 -0.06 1.10 0.42 -0.92 0.00 0.00 175.35 176.10 2itt s ILE 853 N -0.23 3.49 0.00 2.17 1.01 -0.03 0.10 121.20 127.71 2itt s ILE 853 Ca -0.03 1.49 0.00 0.00 0.00 0.00 0.00 60.65 62.10 2itt s ILE 853 Cb -0.03 -3.95 0.00 0.00 0.01 0.00 0.00 42.46 38.50 2itt s ILE 853 CO 0.01 0.35 0.00 1.07 0.00 0.00 0.00 174.94 176.37 2itt n THR 854 N 1.26 0.00 -3.09 2.92 5.66 -0.24 -1.00 114.28 119.79 2itt n THR 854 Ca -0.01 0.00 -0.16 0.00 -3.05 0.00 0.00 64.05 60.83 2itt n THR 854 Cb 0.45 0.00 0.02 0.00 -1.55 0.00 0.00 70.33 69.24 2itt n THR 854 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 2itt n ASP 855 N -0.59 -7.17 -0.72 1.09 -0.08 -1.26 -4.86 116.55 102.95 2itt n ASP 855 Ca 0.00 0.22 0.08 0.00 -1.51 0.00 0.00 54.79 53.57 2itt n ASP 855 Cb 0.00 -4.27 0.22 0.00 2.34 0.00 0.00 41.12 39.41 2itt n ASP 855 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 2itt n PHE 856 N -0.56 0.47 0.00 -0.67 3.72 -1.26 -4.54 117.46 114.62 2itt n PHE 856 Ca 0.03 -0.24 0.00 0.00 -0.05 0.00 0.00 57.45 57.20 2itt n PHE 856 Cb 0.53 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.07 2itt n PHE 856 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2itt n GLY 857 N 1.16 0.00 0.00 1.37 0.00 -1.26 -0.82 105.19 105.64 2itt n GLY 857 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 2itt n GLY 857 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2itt n ARG 858 N -0.46 0.00 -1.78 1.61 1.74 -1.26 -5.01 116.66 111.51 2itt n ARG 858 Ca 0.00 -0.12 -0.39 0.00 -0.77 0.00 0.00 57.85 56.57 2itt n ARG 858 Cb 0.00 -0.21 0.03 0.00 -1.02 0.00 0.00 32.46 31.25 2itt n ARG 858 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2itt s ALA 859 N 0.00 3.09 0.06 7.54 0.00 0.00 -4.54 121.76 127.92 2itt s ALA 859 Ca 0.00 1.43 -0.10 0.00 0.00 0.00 0.00 51.96 53.29 2itt s ALA 859 Cb 0.00 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.54 2itt s ALA 859 CO 0.00 -1.28 0.21 0.15 0.00 0.00 0.00 175.76 174.84 2itt s LYS 860 N -2.62 0.78 0.59 0.00 -0.14 -0.69 -4.98 119.74 112.68 2itt s LYS 860 Ca 0.65 -0.76 -0.18 0.00 -1.36 0.00 0.00 55.97 54.32 2itt s LYS 860 Cb -0.43 0.32 -0.03 0.00 -1.68 0.00 0.00 37.83 36.01 2itt s LYS 860 CO 0.54 -0.24 1.13 -0.51 -0.76 0.00 0.00 175.35 175.51 2itt s LEU 861 N -2.43 3.61 0.44 3.17 1.43 -1.26 -0.55 118.68 123.08 2itt s LEU 861 Ca -0.01 2.14 -0.23 0.00 -1.03 0.00 0.00 54.13 55.00 2itt s LEU 861 Cb 0.02 -4.57 -0.08 0.00 0.03 0.00 0.00 46.19 41.58 2itt s LEU 861 CO -0.07 -1.43 1.12 -0.22 0.23 0.00 0.00 176.35 175.99 2itt s LEU 862 N -4.23 4.04 0.00 1.79 2.96 -1.05 -2.39 118.68 119.81 2itt s LEU 862 Ca 0.71 2.20 0.00 0.00 -0.22 0.00 0.00 54.13 56.82 2itt s LEU 862 Cb -0.23 -4.24 0.00 0.00 0.50 0.00 0.00 46.19 42.22 2itt s LEU 862 CO 0.33 -0.78 0.00 0.61 -1.32 0.00 0.00 176.35 175.19 2itt n GLY 863 N 0.38 2.29 3.74 7.98 0.00 -1.26 -5.03 105.19 113.29 2itt n GLY 863 Ca 0.07 -0.42 -0.38 0.00 0.00 0.00 0.00 46.02 45.28 2itt n GLY 863 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2itt n ALA 864 N 0.00 1.52 0.00 4.61 0.00 -1.00 -4.96 120.51 120.68 2itt n ALA 864 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.54 2itt n ALA 864 Cb 0.00 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 17.09 2itt n ALA 864 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2itt n GLU 865 N -1.25 1.39 0.00 0.00 0.28 -1.26 -4.90 120.64 114.91 2itt n GLU 865 Ca 0.12 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.12 2itt n GLU 865 Cb 0.45 -0.88 0.00 0.00 1.43 0.00 0.00 31.44 32.44 2itt n GLU 865 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 2itt n GLU 866 N -1.31 0.00 -3.47 3.44 2.13 -1.26 -5.21 120.64 114.96 2itt n GLU 866 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2itt n GLU 866 Cb 0.00 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 31.66 2itt n GLU 866 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2itt s VAL 876 N 0.00 -0.37 -0.69 6.31 1.01 -1.26 -5.31 120.40 120.10 2itt s VAL 876 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 61.98 61.76 2itt s VAL 876 Cb 0.00 -1.00 0.08 0.00 0.00 0.00 0.00 36.38 35.46 2itt s VAL 876 CO 0.00 0.00 0.99 -2.16 0.00 0.00 0.00 175.10 173.93 2itt s PRO 877 N 2.14 3.16 0.12 2.72 0.04 -1.26 -4.85 135.00 137.07 2itt s PRO 877 Ca -0.04 -0.93 -0.12 0.00 0.04 0.00 0.00 61.00 59.95 2itt s PRO 877 Cb -0.05 -4.31 -0.11 0.00 0.04 0.00 0.00 34.50 30.07 2itt s PRO 877 CO -0.17 -1.82 1.38 0.82 0.04 0.00 0.00 177.00 177.25 2itt h ILE 878 N 5.97 1.27 0.00 0.56 1.08 -1.97 -3.19 117.51 121.24 2itt h ILE 878 Ca -0.24 -1.79 0.00 0.00 -0.39 0.00 0.00 64.86 62.44 2itt h ILE 878 Cb 1.07 1.71 0.00 0.00 -3.07 0.00 0.00 36.82 36.52 2itt h ILE 878 CO 1.18 0.58 0.00 0.29 -0.69 0.00 0.00 178.15 179.51 2itt n LYS 879 N -3.99 0.23 0.00 2.37 5.02 -1.26 -1.69 118.16 118.84 2itt n LYS 879 Ca -0.05 0.12 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 2itt n LYS 879 Cb 0.66 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.17 2itt n LYS 879 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 2itt n TRP 880 N -1.31 0.00 -3.79 2.13 8.01 -1.21 -4.98 117.44 116.30 2itt n TRP 880 Ca 0.08 -0.28 -0.36 0.00 -1.31 0.00 0.00 57.50 55.63 2itt n TRP 880 Cb 0.15 -0.03 -0.07 0.00 -2.01 0.00 0.00 31.31 29.35 2itt n TRP 880 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.69 175.04 2itt s MET 881 N -0.56 3.82 0.74 -0.99 -1.94 -0.68 -4.01 119.30 115.67 2itt s MET 881 Ca 0.00 -0.14 -0.16 0.00 -1.71 0.00 0.00 55.69 53.68 2itt s MET 881 Cb 0.00 -3.30 -0.00 0.00 2.01 0.00 0.00 34.83 33.53 2itt s MET 881 CO 0.00 0.54 0.80 0.00 -0.01 0.00 0.00 175.02 176.35 2itt n ALA 882 N 2.72 -0.79 -0.02 3.03 0.00 -1.26 -4.82 120.51 119.36 2itt n ALA 882 Ca -0.18 -0.23 -0.11 0.00 0.00 0.00 0.00 53.44 52.92 2itt n ALA 882 Cb 0.53 -2.01 -0.05 0.00 0.00 0.00 0.00 19.45 17.92 2itt n ALA 882 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2itt h LEU 883 N -0.39 0.17 -1.76 0.00 5.85 -1.96 -1.83 115.31 115.38 2itt h LEU 883 Ca -0.46 -0.13 0.10 0.00 0.84 0.00 0.00 57.88 58.23 2itt h LEU 883 Cb 1.34 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.31 2itt h LEU 883 CO 0.45 0.25 0.53 -0.33 -0.34 0.00 0.00 178.44 179.00 2itt h GLU 884 N 0.08 0.00 0.13 1.25 3.07 -1.92 -0.01 114.58 117.18 2itt h GLU 884 Ca 0.04 0.00 -0.32 0.00 -0.50 0.00 0.00 59.36 58.59 2itt h GLU 884 Cb 0.13 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.03 2itt h GLU 884 CO -0.01 0.00 -1.60 0.77 -1.40 0.00 0.00 179.01 176.78 2itt h SER 885 N 0.00 0.42 0.87 1.42 0.02 -1.35 -1.83 113.55 113.10 2itt h SER 885 Ca 0.16 -0.61 -0.14 0.00 -0.84 0.00 0.00 61.79 60.35 2itt h SER 885 Cb 1.22 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 63.60 2itt h SER 885 CO -0.00 1.51 -0.68 0.40 -1.14 0.00 0.00 176.83 176.92 2itt h ILE 886 N 0.07 1.37 0.15 3.27 2.04 -0.74 -2.32 117.51 121.36 2itt h ILE 886 Ca -0.27 -2.43 -0.33 0.00 1.00 0.00 0.00 64.86 62.84 2itt h ILE 886 Cb 2.03 2.35 0.00 0.00 -0.74 0.00 0.00 36.82 40.47 2itt h ILE 886 CO 0.16 0.67 -1.63 -0.07 0.00 0.00 0.00 178.15 177.28 2itt h LEU 887 N 0.00 0.49 -0.56 1.44 3.38 -1.15 -3.42 115.31 115.50 2itt h LEU 887 Ca -0.01 -0.70 0.00 0.00 0.09 0.00 0.00 57.88 57.26 2itt h LEU 887 Cb 1.30 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.89 2itt h LEU 887 CO 0.09 1.59 0.00 1.41 0.09 0.00 0.00 178.44 181.62 2itt n HIS 888 N -3.51 0.00 -3.62 1.13 8.25 -0.72 -5.00 115.22 111.74 2itt n HIS 888 Ca -0.20 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 56.97 2itt n HIS 888 Cb 1.06 0.01 -0.05 0.00 1.12 0.00 0.00 29.99 32.12 2itt n HIS 888 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2itt n ARG 889 N 0.00 -1.01 -2.52 -0.41 1.74 -0.87 -4.94 116.66 108.65 2itt n ARG 889 Ca 0.00 0.09 -0.36 0.00 -0.77 0.00 0.00 57.85 56.81 2itt n ARG 889 Cb 0.40 -3.63 -0.04 0.00 -1.02 0.00 0.00 32.46 28.17 2itt n ARG 889 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2itt s ILE 890 N -2.59 3.69 -0.23 0.55 1.01 -1.00 -4.95 121.20 117.68 2itt s ILE 890 Ca 0.56 1.26 -0.05 0.00 0.00 0.00 0.00 60.65 62.42 2itt s ILE 890 Cb -0.33 -3.63 0.12 0.00 0.01 0.00 0.00 42.46 38.62 2itt s ILE 890 CO 0.69 -0.03 0.43 -0.31 0.00 0.00 0.00 174.94 175.73 2itt s TYR 891 N -1.69 -0.90 0.30 3.97 2.02 -1.26 -3.37 117.35 116.42 2itt s TYR 891 Ca 0.59 1.31 0.03 0.00 -0.37 0.00 0.00 57.07 58.63 2itt s TYR 891 Cb -0.22 0.24 -0.06 0.00 -0.40 0.00 0.00 41.96 41.52 2itt s TYR 891 CO 0.27 -0.61 0.07 -0.08 -1.57 0.00 0.00 175.55 173.63 2itt s THR 892 N 2.62 0.93 0.31 -0.71 -1.32 -1.26 -4.90 115.64 111.32 2itt s THR 892 Ca 0.06 -2.00 0.07 0.00 -1.21 0.00 0.00 61.69 58.60 2itt s THR 892 Cb -0.14 -2.73 0.31 0.00 -1.51 0.00 0.00 72.50 68.43 2itt s THR 892 CO -0.15 -0.00 1.79 0.45 -2.21 0.00 0.00 174.62 174.50 2itt h HIS 893 N 2.22 1.02 0.00 9.09 -0.00 -1.99 0.16 115.15 125.65 2itt h HIS 893 Ca -0.40 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.00 2itt h HIS 893 Cb 1.25 -0.31 0.00 0.00 -0.00 0.00 0.00 27.41 28.34 2itt h HIS 893 CO 0.53 0.26 0.00 1.96 -0.00 0.00 0.00 177.93 180.67 2itt h GLN 894 N 0.76 0.00 0.00 2.45 1.08 -1.93 -0.77 115.11 116.70 2itt h GLN 894 Ca 0.56 0.00 -0.13 0.00 -1.45 0.00 0.00 58.65 57.63 2itt h GLN 894 Cb 0.88 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.29 2itt h GLN 894 CO -0.34 0.00 -0.83 0.66 -0.95 0.00 0.00 178.83 177.37 2itt h SER 895 N 0.00 0.00 -0.36 1.46 4.64 -1.07 -2.92 113.55 115.31 2itt h SER 895 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 2itt h SER 895 Cb 0.13 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.21 2itt h SER 895 CO 0.00 0.53 0.09 0.44 -0.87 0.00 0.00 176.83 177.02 2itt h ASP 896 N 0.00 0.55 -0.85 4.97 3.45 -0.66 -2.88 116.42 121.00 2itt h ASP 896 Ca -0.06 -0.23 0.09 0.00 0.43 0.00 0.00 57.03 57.26 2itt h ASP 896 Cb 1.46 -0.14 -0.07 0.00 -0.56 0.00 0.00 39.33 40.01 2itt h ASP 896 CO 0.06 0.64 0.50 0.58 -1.57 0.00 0.00 179.24 179.44 2itt h VAL 897 N 0.43 0.93 -1.00 -1.35 2.07 -1.23 0.21 116.25 116.31 2itt h VAL 897 Ca 0.11 -0.29 0.15 0.00 0.82 0.00 0.00 66.70 67.50 2itt h VAL 897 Cb 0.30 0.02 -0.10 0.00 -1.52 0.00 0.00 31.29 29.99 2itt h VAL 897 CO 0.00 0.15 0.62 -0.25 0.02 0.00 0.00 177.57 178.12 2itt h TRP 898 N 0.84 1.11 0.00 1.57 2.91 -1.31 -1.56 115.95 119.52 2itt h TRP 898 Ca 0.40 0.03 -0.15 0.00 1.13 0.00 0.00 58.89 60.30 2itt h TRP 898 Cb 0.34 -0.34 -0.02 0.00 -0.51 0.00 0.00 29.16 28.62 2itt h TRP 898 CO -0.05 0.35 -0.72 0.77 -1.03 0.00 0.00 178.44 177.76 2itt h SER 899 N 0.88 0.00 -0.37 2.65 0.02 -0.49 -2.26 113.55 113.99 2itt h SER 899 Ca 0.54 0.00 0.08 0.00 -0.84 0.00 0.00 61.79 61.56 2itt h SER 899 Cb 0.69 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.16 2itt h SER 899 CO -0.32 0.72 -0.12 0.22 -1.14 0.00 0.00 176.83 176.19 2itt h TYR 900 N 0.00 -0.27 -0.51 3.45 5.03 -0.55 0.46 116.97 124.58 2itt h TYR 900 Ca -0.01 0.04 0.05 0.00 2.58 0.00 0.00 58.73 61.39 2itt h TYR 900 Cb 1.50 0.18 -0.07 0.00 1.55 0.00 0.00 36.73 39.88 2itt h TYR 900 CO 0.00 -0.19 -0.42 0.78 -1.32 0.00 0.00 178.16 177.01 2itt h GLY 901 N -0.04 -1.32 0.79 1.82 0.00 -0.70 0.52 103.07 104.14 2itt h GLY 901 Ca 0.18 0.83 0.05 0.00 0.00 0.00 0.00 47.33 48.39 2itt h GLY 901 CO -0.40 -0.27 0.54 -2.08 0.00 0.00 0.00 176.54 174.33 2itt h VAL 902 N -0.15 1.08 -0.46 4.60 2.07 -1.23 -1.85 116.25 120.31 2itt h VAL 902 Ca 0.08 -0.35 -0.00 0.00 0.82 0.00 0.00 66.70 67.25 2itt h VAL 902 Cb 0.36 -0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.09 2itt h VAL 902 CO -0.56 0.19 0.28 0.74 0.02 0.00 0.00 177.57 178.24 2itt h THR 903 N 1.02 1.14 -0.54 2.57 2.02 0.31 0.27 112.91 119.70 2itt h THR 903 Ca 0.36 -0.30 0.03 0.00 0.77 0.00 0.00 66.41 67.27 2itt h THR 903 Cb 0.10 0.51 -0.04 0.00 -1.74 0.00 0.00 68.15 66.99 2itt h THR 903 CO -0.15 0.14 0.32 0.58 0.37 0.00 0.00 175.52 176.78 2itt h VAL 904 N 0.62 1.04 -0.88 3.16 2.07 0.23 -1.92 116.25 120.56 2itt h VAL 904 Ca 0.17 -0.22 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 2itt h VAL 904 Cb -0.02 0.36 -0.04 0.00 -1.52 0.00 0.00 31.29 30.07 2itt h VAL 904 CO -0.03 0.11 0.49 -0.25 0.02 0.00 0.00 177.57 177.91 2itt h TRP 905 N 0.63 1.21 -0.68 1.57 7.01 -0.56 0.26 115.95 125.39 2itt h TRP 905 Ca 0.22 -0.03 0.12 0.00 2.11 0.00 0.00 58.89 61.31 2itt h TRP 905 Cb 0.04 -0.39 -0.09 0.00 -2.10 0.00 0.00 29.16 26.63 2itt h TRP 905 CO -0.07 0.83 0.25 0.93 -2.79 0.00 0.00 178.44 177.59 2itt h GLU 906 N 1.23 0.40 -0.08 2.65 5.08 0.25 -2.43 114.58 121.67 2itt h GLU 906 Ca 0.31 -0.02 -0.16 0.00 -1.00 0.00 0.00 59.36 58.49 2itt h GLU 906 Cb 0.02 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 2itt h GLU 906 CO -0.05 0.26 -0.63 -0.07 -1.00 0.00 0.00 179.01 177.52 2itt h LEU 907 N 0.41 0.34 -0.36 1.33 3.38 -0.34 -0.23 115.31 119.83 2itt h LEU 907 Ca 0.36 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 58.09 2itt h LEU 907 Cb 0.51 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 2itt h LEU 907 CO -0.37 0.88 -0.17 0.24 0.09 0.00 0.00 178.44 179.12 2itt h MET 908 N 0.21 0.00 -0.63 1.13 2.86 -1.20 -2.04 114.93 115.27 2itt h MET 908 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2itt h MET 908 Cb 1.16 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.82 2itt h MET 908 CO 0.10 0.17 0.00 0.25 1.06 0.00 0.00 176.91 178.49 2itt n THR 909 N -3.18 0.98 -2.76 2.22 -2.24 -0.93 -4.61 114.28 103.76 2itt n THR 909 Ca 0.02 -0.87 -0.21 0.00 -2.27 0.00 0.00 64.05 60.73 2itt n THR 909 Cb 0.54 0.34 0.01 0.00 -2.10 0.00 0.00 70.33 69.12 2itt n THR 909 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 2itt n PHE 910 N 1.24 -1.54 0.00 4.78 3.72 -0.77 -3.38 117.46 121.51 2itt n PHE 910 Ca 0.21 0.27 0.00 0.00 -0.05 0.00 0.00 57.45 57.88 2itt n PHE 910 Cb 0.58 -3.94 0.00 0.00 -0.94 0.00 0.00 39.48 35.17 2itt n PHE 910 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2itt n GLY 911 N -1.22 1.51 3.78 1.37 0.00 -0.13 -3.61 105.19 106.89 2itt n GLY 911 Ca -0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.55 2itt n GLY 911 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2itt s SER 912 N -2.00 4.66 -0.15 1.61 0.01 -1.22 -4.96 113.70 111.65 2itt s SER 912 Ca 0.00 1.80 -0.13 0.00 1.31 0.00 0.00 55.95 58.93 2itt s SER 912 Cb 0.00 -2.52 -0.05 0.00 0.21 0.00 0.00 66.02 63.66 2itt s SER 912 CO 0.00 -1.93 0.28 -0.54 0.41 0.00 0.00 173.24 171.46 2itt s LYS 913 N -4.88 4.20 0.21 12.44 1.02 -1.26 -4.77 119.74 126.69 2itt s LYS 913 Ca 0.61 0.08 -0.30 0.00 0.02 0.00 0.00 55.97 56.38 2itt s LYS 913 Cb -0.17 -3.40 -0.08 0.00 -0.52 0.00 0.00 37.83 33.65 2itt s LYS 913 CO 0.55 0.29 1.19 -1.25 -0.92 0.00 0.00 175.35 175.21 2itt s PRO 914 N 0.32 4.51 -1.44 -1.68 0.04 -1.26 -2.84 135.00 132.64 2itt s PRO 914 Ca 0.16 1.89 -0.05 0.00 0.04 0.00 0.00 61.00 63.04 2itt s PRO 914 Cb -0.13 -3.22 0.04 0.00 0.04 0.00 0.00 34.50 31.23 2itt s PRO 914 CO 0.04 -0.05 0.67 0.66 0.04 0.00 0.00 177.00 178.35 2itt n TYR 915 N 2.20 -1.87 -1.67 0.56 4.01 -1.26 -4.83 117.16 114.30 2itt n TYR 915 Ca 0.03 0.81 -0.48 0.00 -0.16 0.00 0.00 57.90 58.11 2itt n TYR 915 Cb 0.44 -3.89 -0.05 0.00 -0.31 0.00 0.00 39.34 35.53 2itt n TYR 915 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 2itt n ASP 916 N -2.94 3.08 0.00 7.72 4.64 -1.13 -2.55 116.55 125.37 2itt n ASP 916 Ca -0.19 1.04 0.00 0.00 -1.38 0.00 0.00 54.79 54.26 2itt n ASP 916 Cb 0.63 -1.37 0.00 0.00 -1.04 0.00 0.00 41.12 39.34 2itt n ASP 916 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 2itt n GLY 917 N 3.77 1.06 0.94 0.27 0.00 -1.26 -5.03 105.19 104.93 2itt n GLY 917 Ca 0.20 -0.57 -0.17 0.00 0.00 0.00 0.00 46.02 45.48 2itt n GLY 917 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2itt n ILE 918 N 0.00 0.00 -3.39 -0.61 2.08 -1.06 -4.84 119.36 111.55 2itt n ILE 918 Ca 0.00 0.00 -0.30 0.00 0.56 0.00 0.00 62.75 63.01 2itt n ILE 918 Cb 0.00 -0.13 -0.04 0.00 -0.75 0.00 0.00 39.64 38.72 2itt n ILE 918 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 2itt s PRO 919 N 0.80 3.68 0.47 0.38 0.04 -1.26 -4.93 135.00 134.18 2itt s PRO 919 Ca 0.27 0.08 0.30 0.00 0.04 0.00 0.00 61.00 61.69 2itt s PRO 919 Cb -0.38 -2.66 1.39 0.00 0.04 0.00 0.00 34.50 32.89 2itt s PRO 919 CO 0.20 0.27 1.72 0.00 0.04 0.00 0.00 177.00 179.24 2itt h ALA 920 N 2.06 2.80 -0.75 8.56 0.00 -1.97 0.17 119.26 130.13 2itt h ALA 920 Ca -0.47 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.43 2itt h ALA 920 Cb 1.18 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 19.04 2itt h ALA 920 CO 0.68 -1.26 0.31 0.77 0.00 0.00 0.00 179.25 179.75 2itt h SER 921 N 0.15 1.00 -0.60 0.00 0.02 -2.01 -2.85 113.55 109.27 2itt h SER 921 Ca 0.68 -0.14 -0.09 0.00 -0.84 0.00 0.00 61.79 61.40 2itt h SER 921 Cb 2.24 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 64.50 2itt h SER 921 CO -0.21 0.88 0.03 -0.33 -1.14 0.00 0.00 176.83 176.06 2itt h GLU 922 N 1.08 1.04 -0.81 3.45 5.08 -1.34 -3.39 114.58 119.68 2itt h GLU 922 Ca 0.25 -0.32 0.07 0.00 -1.00 0.00 0.00 59.36 58.37 2itt h GLU 922 Cb 0.18 -0.10 -0.10 0.00 0.50 0.00 0.00 28.75 29.23 2itt h GLU 922 CO -0.02 1.01 -0.48 -0.89 -1.00 0.00 0.00 179.01 177.62 2itt n ILE 923 N -4.23 -0.55 0.31 3.13 2.08 -1.08 -0.55 119.36 118.48 2itt n ILE 923 Ca 0.03 1.99 0.21 0.00 0.56 0.00 0.00 62.75 65.54 2itt n ILE 923 Cb 0.33 -2.46 1.10 0.00 -0.75 0.00 0.00 39.64 37.86 2itt n ILE 923 CO 0.00 0.00 0.00 0.77 0.56 0.00 0.00 176.55 177.88 2itt h SER 924 N 0.00 0.00 0.00 4.38 4.64 -1.76 -1.76 113.55 119.06 2itt h SER 924 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 2itt h SER 924 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 2itt h SER 924 CO -0.77 0.00 -0.02 -1.28 -0.87 0.00 0.00 176.83 173.89 2itt h SER 925 N 0.00 0.00 -0.68 4.97 0.87 -1.09 -2.26 113.55 115.37 2itt h SER 925 Ca 0.00 0.00 0.08 0.00 -1.23 0.00 0.00 61.79 60.64 2itt h SER 925 Cb 0.05 0.00 -0.09 0.00 -0.44 0.00 0.00 62.40 61.91 2itt h SER 925 CO 0.00 0.42 -0.34 -0.38 -0.53 0.00 0.00 176.83 175.99 2itt n ILE 926 N -4.25 -0.42 0.08 2.23 5.41 -1.08 0.23 119.36 121.57 2itt n ILE 926 Ca -0.00 1.62 0.04 0.00 1.00 0.00 0.00 62.75 65.41 2itt n ILE 926 Cb 0.01 -2.07 0.46 0.00 -0.71 0.00 0.00 39.64 37.33 2itt n ILE 926 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 2itt h LEU 927 N 0.00 0.32 -0.19 1.39 3.38 -1.41 -1.85 115.31 116.94 2itt h LEU 927 Ca 0.17 -0.02 -0.22 0.00 0.09 0.00 0.00 57.88 57.89 2itt h LEU 927 Cb 0.34 -0.08 0.01 0.00 0.09 0.00 0.00 40.66 41.01 2itt h LEU 927 CO -0.66 0.28 -0.87 -0.08 0.09 0.00 0.00 178.44 177.20 2itt h GLU 928 N 0.36 0.56 0.00 1.13 4.81 0.18 -2.66 114.58 118.96 2itt h GLU 928 Ca 0.09 -0.53 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 2itt h GLU 928 Cb 0.06 0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.57 2itt h GLU 928 CO -0.01 1.15 0.00 0.87 -0.73 0.00 0.00 179.01 180.29 2itt h LYS 929 N 0.35 0.00 0.00 1.92 1.57 0.46 -3.46 116.57 117.41 2itt h LYS 929 Ca -0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 2itt h LYS 929 Cb 1.50 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.81 2itt h LYS 929 CO 0.16 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.45 2itt n GLY 930 N -1.01 0.66 3.77 3.86 0.00 -0.76 -5.07 105.19 106.63 2itt n GLY 930 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 2itt n GLY 930 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2itt s GLU 931 N -0.65 4.36 0.00 1.61 2.12 -0.99 -4.99 118.70 120.15 2itt s GLU 931 Ca 0.00 2.21 0.00 0.00 0.36 0.00 0.00 54.97 57.54 2itt s GLU 931 Cb 0.00 -3.08 0.00 0.00 0.26 0.00 0.00 34.13 31.31 2itt s GLU 931 CO 0.00 -0.19 0.00 0.54 -0.54 0.00 0.00 175.26 175.07 2itt n ARG 932 N 0.92 0.72 -2.85 4.30 5.12 -1.26 -4.29 116.66 119.33 2itt n ARG 932 Ca 0.00 0.00 -0.32 0.00 -1.93 0.00 0.00 57.85 55.61 2itt n ARG 932 Cb 0.42 0.00 -0.05 0.00 -1.16 0.00 0.00 32.46 31.67 2itt n ARG 932 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2itt s LEU 933 N 0.00 3.89 0.47 0.55 1.43 -1.26 -5.03 118.68 118.73 2itt s LEU 933 Ca 0.00 1.38 -0.19 0.00 -1.03 0.00 0.00 54.13 54.29 2itt s LEU 933 Cb 0.00 -4.24 -0.09 0.00 0.03 0.00 0.00 46.19 41.88 2itt s LEU 933 CO 0.00 -0.37 0.97 -2.16 0.23 0.00 0.00 176.35 175.02 2itt s PRO 934 N -3.48 4.08 -0.18 1.29 0.04 -1.26 -4.96 135.00 130.53 2itt s PRO 934 Ca 0.56 1.06 -0.36 0.00 0.04 0.00 0.00 61.00 62.30 2itt s PRO 934 Cb -0.10 -2.15 -0.13 0.00 0.04 0.00 0.00 34.50 32.16 2itt s PRO 934 CO 0.23 -0.16 1.87 0.94 0.04 0.00 0.00 177.00 179.92 2itt n GLN 935 N -1.08 1.73 -2.45 4.56 7.27 -1.26 -4.94 117.38 121.21 2itt n GLN 935 Ca 0.07 0.62 -0.36 0.00 0.07 0.00 0.00 57.00 57.40 2itt n GLN 935 Cb 0.54 -2.45 -0.03 0.00 2.41 0.00 0.00 30.24 30.71 2itt n GLN 935 CO 0.00 0.00 0.00 -2.14 0.07 0.00 0.00 177.06 174.99 2itt s PRO 936 N 4.13 3.95 0.27 3.69 0.02 -1.26 -4.93 135.00 140.87 2itt s PRO 936 Ca 0.96 1.56 0.05 0.00 0.02 0.00 0.00 61.00 63.59 2itt s PRO 936 Cb -0.83 -2.40 0.74 0.00 0.02 0.00 0.00 34.50 32.03 2itt s PRO 936 CO 0.56 -0.34 1.30 -2.30 -0.33 0.00 0.00 177.00 175.90 2itt n PRO 937 N -0.40 -0.06 0.00 5.54 -0.02 -1.26 -0.94 135.00 137.86 2itt n PRO 937 Ca 0.07 1.22 0.15 0.00 -2.02 0.00 0.00 63.50 62.92 2itt n PRO 937 Cb 0.50 -2.00 0.71 0.00 -0.02 0.00 0.00 33.50 32.69 2itt n PRO 937 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 2itt n ILE 938 N -5.12 0.00 -3.28 4.25 -5.35 -1.26 -4.83 119.36 103.76 2itt n ILE 938 Ca 0.22 -0.08 -0.40 0.00 -0.27 0.00 0.00 62.75 62.23 2itt n ILE 938 Cb 0.73 -0.12 -0.08 0.00 -1.74 0.00 0.00 39.64 38.44 2itt n ILE 938 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2itt s THR 940 N 2.24 2.30 0.22 0.00 -4.23 -1.06 -4.80 115.64 110.31 2itt s THR 940 Ca 0.19 0.10 0.35 0.00 -1.18 0.00 0.00 61.69 61.14 2itt s THR 940 Cb -0.16 -2.22 0.39 0.00 1.34 0.00 0.00 72.50 71.85 2itt s THR 940 CO 0.10 -0.13 2.05 -0.29 -0.54 0.00 0.00 174.62 175.81 2itt h ILE 941 N -1.83 0.08 -0.35 2.99 2.10 -1.97 -1.78 117.51 116.75 2itt h ILE 941 Ca -0.46 -0.47 -0.06 0.00 1.08 0.00 0.00 64.86 64.95 2itt h ILE 941 Cb 1.27 1.43 -0.01 0.00 -1.09 0.00 0.00 36.82 38.42 2itt h ILE 941 CO 0.45 0.02 -0.03 0.44 -1.08 0.00 0.00 178.15 177.95 2itt h ASP 942 N 0.00 0.64 -0.20 2.19 5.19 -1.90 0.20 116.42 122.53 2itt h ASP 942 Ca -0.00 -0.33 -0.14 0.00 -0.62 0.00 0.00 57.03 55.94 2itt h ASP 942 Cb 0.43 -0.17 0.00 0.00 0.18 0.00 0.00 39.33 39.77 2itt h ASP 942 CO 0.00 0.82 -0.41 0.58 -3.12 0.00 0.00 179.24 177.11 2itt h VAL 943 N 0.44 1.32 0.00 -1.35 2.07 -1.62 -3.04 116.25 114.08 2itt h VAL 943 Ca 0.09 -1.64 -0.09 0.00 0.82 0.00 0.00 66.70 65.89 2itt h VAL 943 Cb 0.51 1.85 -0.01 0.00 -1.52 0.00 0.00 31.29 32.12 2itt h VAL 943 CO 0.02 0.51 -0.44 0.22 0.02 0.00 0.00 177.57 177.90 2itt h TYR 944 N 0.32 0.00 -0.23 1.57 5.03 -1.25 -1.84 116.97 120.56 2itt h TYR 944 Ca 0.01 0.00 -0.10 0.00 2.58 0.00 0.00 58.73 61.21 2itt h TYR 944 Cb 1.01 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 39.28 2itt h TYR 944 CO 0.09 0.44 -0.29 1.98 -1.32 0.00 0.00 178.16 179.06 2itt h MET 945 N 0.00 0.47 -0.53 1.82 4.05 -0.91 -1.33 114.93 118.50 2itt h MET 945 Ca -0.00 -0.19 -0.06 0.00 -0.28 0.00 0.00 59.70 59.16 2itt h MET 945 Cb 0.91 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 31.67 2itt h MET 945 CO 0.06 0.71 0.09 0.82 0.23 0.00 0.00 176.91 178.82 2itt h ILE 946 N 0.41 1.25 0.59 1.77 2.04 -1.23 -2.06 117.51 120.28 2itt h ILE 946 Ca 0.05 -0.94 -0.02 0.00 1.00 0.00 0.00 64.86 64.95 2itt h ILE 946 Cb 0.72 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 37.63 2itt h ILE 946 CO 0.06 0.34 -0.38 0.24 0.00 0.00 0.00 178.15 178.41 2itt h MET 947 N 0.76 -0.89 -0.98 2.37 2.86 -1.10 -2.58 114.93 115.37 2itt h MET 947 Ca 0.16 0.06 0.20 0.00 -2.06 0.00 0.00 59.70 58.06 2itt h MET 947 Cb 0.40 0.20 -0.19 0.00 0.06 0.00 0.00 31.60 32.07 2itt h MET 947 CO 0.01 -0.59 -0.23 0.28 1.06 0.00 0.00 176.91 177.43 2itt h VAL 948 N -0.92 0.02 -0.73 -2.22 2.07 -1.26 0.17 116.25 113.38 2itt h VAL 948 Ca -0.07 -0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.48 2itt h VAL 948 Cb 0.75 0.02 -0.04 0.00 -1.52 0.00 0.00 31.29 30.51 2itt h VAL 948 CO 0.06 0.00 0.48 0.11 0.02 0.00 0.00 177.57 178.24 2itt h LYS 949 N 0.00 0.89 0.00 1.57 1.57 -0.99 0.31 116.57 119.92 2itt h LYS 949 Ca 0.47 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.20 2itt h LYS 949 Cb 0.74 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.84 2itt h LYS 949 CO -1.00 0.59 0.00 0.00 -0.57 0.00 0.00 179.45 178.46 2itt n TRP 951 N -1.45 0.33 -2.03 0.00 8.01 0.11 -3.75 117.44 118.66 2itt n TRP 951 Ca 0.01 -0.78 -0.42 0.00 -1.31 0.00 0.00 57.50 55.00 2itt n TRP 951 Cb 0.04 -0.15 -0.03 0.00 -2.01 0.00 0.00 31.31 29.16 2itt n TRP 951 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.69 178.09 2itt s MET 952 N -2.16 4.19 0.11 -0.99 1.75 -1.02 -4.95 119.30 116.24 2itt s MET 952 Ca 0.26 2.16 -0.18 0.00 -1.25 0.00 0.00 55.69 56.68 2itt s MET 952 Cb 0.21 -3.93 -0.01 0.00 2.84 0.00 0.00 34.83 33.95 2itt s MET 952 CO 0.06 -0.82 0.99 -0.89 -0.65 0.00 0.00 175.02 173.72 2itt n ILE 953 N 5.38 -0.42 -1.86 10.11 2.08 -1.26 -3.93 119.36 129.45 2itt n ILE 953 Ca 0.17 1.55 -0.39 0.00 0.56 0.00 0.00 62.75 64.64 2itt n ILE 953 Cb 0.43 -1.94 -0.03 0.00 -0.75 0.00 0.00 39.64 37.35 2itt n ILE 953 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 2itt s ASP 954 N -5.31 5.17 0.39 4.38 3.68 -1.26 -4.84 116.67 118.89 2itt s ASP 954 Ca -0.08 0.87 0.11 0.00 2.13 0.00 0.00 52.55 55.59 2itt s ASP 954 Cb 0.08 -2.52 0.91 0.00 -1.45 0.00 0.00 42.92 39.94 2itt s ASP 954 CO 0.41 -2.35 1.92 0.00 0.13 0.00 0.00 175.17 175.27 2itt h ALA 955 N 15.87 1.93 0.00 3.66 0.00 -1.97 0.36 119.26 139.11 2itt h ALA 955 Ca -0.28 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2itt h ALA 955 Cb 1.20 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2itt h ALA 955 CO 1.14 -0.12 0.00 -0.25 0.00 0.00 0.00 179.25 180.02 2itt n ASP 956 N -4.50 0.61 0.22 0.00 10.43 -1.26 -2.38 116.55 119.66 2itt n ASP 956 Ca 0.14 0.63 0.12 0.00 2.57 0.00 0.00 54.79 58.25 2itt n ASP 956 Cb 0.43 -0.76 0.30 0.00 1.84 0.00 0.00 41.12 42.93 2itt n ASP 956 CO 0.00 0.00 0.00 0.28 -1.07 0.00 0.00 177.20 176.41 2itt h SER 957 N 0.00 0.00 -4.06 -2.24 0.02 -0.61 -3.46 113.55 103.20 2itt h SER 957 Ca 0.00 0.00 -0.49 0.00 -0.84 0.00 0.00 61.79 60.46 2itt h SER 957 Cb 0.42 0.00 0.15 0.00 0.14 0.00 0.00 62.40 63.11 2itt h SER 957 CO 0.00 0.09 0.24 -0.13 -1.14 0.00 0.00 176.83 175.88 2itt s ARG 958 N -3.33 1.19 0.59 3.45 3.00 -1.00 -4.98 118.95 117.87 2itt s ARG 958 Ca 0.05 0.93 -0.15 0.00 0.00 0.00 0.00 55.73 56.56 2itt s ARG 958 Cb 0.07 -1.79 -0.04 0.00 0.00 0.00 0.00 34.95 33.18 2itt s ARG 958 CO 0.65 -2.32 1.03 -2.14 0.00 0.00 0.00 175.30 172.52 2itt s PRO 959 N -4.87 3.49 0.39 3.54 0.02 -1.26 -5.02 135.00 131.30 2itt s PRO 959 Ca 0.64 1.03 -0.23 0.00 0.02 0.00 0.00 61.00 62.46 2itt s PRO 959 Cb -0.19 -2.06 -0.10 0.00 0.02 0.00 0.00 34.50 32.16 2itt s PRO 959 CO 0.57 -0.66 0.96 0.15 -0.33 0.00 0.00 177.00 177.70 2itt s LYS 960 N -4.36 4.33 0.41 5.54 -0.14 -1.26 -4.93 119.74 119.32 2itt s LYS 960 Ca 0.60 1.24 0.16 0.00 -1.36 0.00 0.00 55.97 56.61 2itt s LYS 960 Cb -0.13 -2.42 1.05 0.00 -1.68 0.00 0.00 37.83 34.65 2itt s LYS 960 CO 0.40 0.05 1.86 0.74 -0.76 0.00 0.00 175.35 177.64 2itt h PHE 961 N 2.38 0.57 0.00 3.18 0.04 -1.95 0.16 116.94 121.33 2itt h PHE 961 Ca -0.48 0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.27 2itt h PHE 961 Cb 1.19 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 39.16 2itt h PHE 961 CO 0.61 0.16 -0.19 0.07 -0.60 0.00 0.00 178.31 178.36 2itt h ARG 962 N 0.44 0.00 0.02 1.51 0.11 -1.93 -0.83 114.38 113.69 2itt h ARG 962 Ca 0.47 0.00 -0.17 0.00 0.10 0.00 0.00 59.98 60.38 2itt h ARG 962 Cb 1.11 0.00 0.01 0.00 1.11 0.00 0.00 29.97 32.20 2itt h ARG 962 CO -0.18 0.19 -0.66 0.93 0.10 0.00 0.00 179.97 180.35 2itt h GLU 963 N 0.00 0.41 -0.62 0.08 5.08 -1.38 -2.80 114.58 115.34 2itt h GLU 963 Ca -0.00 -0.47 0.06 0.00 -1.00 0.00 0.00 59.36 57.96 2itt h GLU 963 Cb 0.50 0.14 -0.06 0.00 0.50 0.00 0.00 28.75 29.83 2itt h GLU 963 CO 0.03 1.14 0.32 -0.07 -1.00 0.00 0.00 179.01 179.42 2itt h LEU 964 N -0.12 0.44 0.28 1.33 3.38 -1.05 0.24 115.31 119.81 2itt h LEU 964 Ca -0.09 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2itt h LEU 964 Cb 1.38 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 42.06 2itt h LEU 964 CO 0.13 0.28 -0.43 0.40 0.09 0.00 0.00 178.44 178.91 2itt h ILE 965 N 0.58 0.15 -0.09 1.22 2.04 -1.17 -1.52 117.51 118.72 2itt h ILE 965 Ca 0.29 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.18 2itt h ILE 965 Cb 0.23 0.15 -0.06 0.00 -0.74 0.00 0.00 36.82 36.39 2itt h ILE 965 CO -0.21 0.00 -0.49 0.40 0.00 0.00 0.00 178.15 177.86 2itt h ILE 966 N -0.77 0.06 -0.82 -0.67 2.04 -1.20 -1.22 117.51 114.93 2itt h ILE 966 Ca -0.01 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.92 2itt h ILE 966 Cb 0.73 0.06 -0.07 0.00 -0.74 0.00 0.00 36.82 36.81 2itt h ILE 966 CO -0.15 0.00 0.48 -0.33 0.00 0.00 0.00 178.15 178.15 2itt h GLU 967 N -0.58 0.83 0.00 2.37 4.39 -0.39 -0.89 114.58 120.31 2itt h GLU 967 Ca 0.05 -0.05 -0.16 0.00 0.34 0.00 0.00 59.36 59.53 2itt h GLU 967 Cb 0.68 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 29.12 2itt h GLU 967 CO -0.39 0.55 -0.77 0.74 -1.16 0.00 0.00 179.01 177.98 2itt h PHE 968 N 0.85 0.00 -0.28 4.33 0.04 -1.17 -2.15 116.94 118.55 2itt h PHE 968 Ca 0.37 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 61.07 2itt h PHE 968 Cb 0.26 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.40 2itt h PHE 968 CO -0.05 0.77 -0.12 1.03 -0.60 0.00 0.00 178.31 179.34 2itt h SER 969 N 0.00 0.59 -0.38 2.17 0.87 -0.77 0.74 113.55 116.77 2itt h SER 969 Ca -0.01 -0.40 0.06 0.00 -1.23 0.00 0.00 61.79 60.21 2itt h SER 969 Cb 1.36 -0.16 -0.05 0.00 -0.44 0.00 0.00 62.40 63.10 2itt h SER 969 CO 0.10 0.86 0.05 0.11 -0.53 0.00 0.00 176.83 177.42 2itt h LYS 970 N 0.32 0.16 -0.98 2.24 1.57 -1.03 -2.50 116.57 116.35 2itt h LYS 970 Ca 0.06 -0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.87 2itt h LYS 970 Cb 0.63 -0.04 -0.06 0.00 0.08 0.00 0.00 32.23 32.84 2itt h LYS 970 CO 0.04 0.11 0.64 0.52 -0.57 0.00 0.00 179.45 180.18 2itt h MET 971 N 0.17 1.19 0.00 3.15 2.86 -0.78 -1.47 114.93 120.04 2itt h MET 971 Ca 0.18 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 2itt h MET 971 Cb 0.23 -0.27 0.00 0.00 0.06 0.00 0.00 31.60 31.62 2itt h MET 971 CO -0.26 0.79 0.00 0.00 1.06 0.00 0.00 176.91 178.49 2itt n ALA 972 N -2.38 1.60 0.29 6.32 0.00 0.25 -2.03 120.51 124.57 2itt n ALA 972 Ca 0.13 0.03 0.13 0.00 0.00 0.00 0.00 53.44 53.73 2itt n ALA 972 Cb 0.11 -1.30 0.28 0.00 0.00 0.00 0.00 19.45 18.54 2itt n ALA 972 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2itt h ARG 973 N 0.00 0.00 -1.91 0.00 3.08 -1.07 -3.36 114.38 111.12 2itt h ARG 973 Ca 0.00 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.52 2itt h ARG 973 Cb 0.28 0.00 -0.38 0.00 0.08 0.00 0.00 29.97 29.95 2itt h ARG 973 CO 0.00 0.00 -1.10 -3.47 -1.07 0.00 0.00 179.97 174.33 2itt n ASP 974 N -2.95 0.14 -0.21 7.04 4.64 -0.86 -5.04 116.55 119.32 2itt n ASP 974 Ca 0.04 -2.78 0.07 0.00 -1.38 0.00 0.00 54.79 50.74 2itt n ASP 974 Cb 0.48 -0.52 0.34 0.00 -1.04 0.00 0.00 41.12 40.38 2itt n ASP 974 CO 0.00 0.00 0.00 -0.65 -0.82 0.00 0.00 177.20 175.73 2itt h PRO 975 N 3.82 0.76 0.00 -0.67 0.11 -1.69 -1.39 132.00 132.94 2itt h PRO 975 Ca 0.07 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.13 2itt h PRO 975 Cb 0.90 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.84 2itt h PRO 975 CO 0.46 0.50 0.00 1.96 -0.21 0.00 0.00 178.00 180.71 2itt h GLN 976 N 0.78 0.00 0.00 1.05 4.20 -1.88 -0.70 115.11 118.56 2itt h GLN 976 Ca 0.34 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.05 2itt h GLN 976 Cb 0.31 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.09 2itt h GLN 976 CO -0.12 0.00 0.00 -0.09 -0.67 0.00 0.00 178.83 177.95 2itt h ARG 977 N 0.00 0.00 0.00 1.46 2.43 -1.60 -3.37 114.38 113.29 2itt h ARG 977 Ca 0.00 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 2itt h ARG 977 Cb 0.52 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.07 2itt h ARG 977 CO 0.00 0.00 -1.14 0.66 -1.51 0.00 0.00 179.97 177.98 2itt n TYR 978 N -2.65 0.00 -4.93 2.20 4.02 -0.71 -4.94 117.16 110.15 2itt n TYR 978 Ca 0.02 0.00 -0.27 0.00 -0.01 0.00 0.00 57.90 57.65 2itt n TYR 978 Cb 0.32 -0.10 -0.16 0.00 -0.02 0.00 0.00 39.34 39.38 2itt n TYR 978 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 2itt s LEU 979 N -4.19 1.98 -0.34 7.72 1.43 -0.35 -2.55 118.68 122.37 2itt s LEU 979 Ca -0.01 -0.37 -0.01 0.00 -1.03 0.00 0.00 54.13 52.71 2itt s LEU 979 Cb 0.01 -1.03 0.08 0.00 0.03 0.00 0.00 46.19 45.28 2itt s LEU 979 CO 0.08 0.20 0.08 -0.69 0.23 0.00 0.00 176.35 176.25 2itt s VAL 980 N -0.19 3.01 -0.11 -1.59 1.01 0.29 -4.36 120.40 118.46 2itt s VAL 980 Ca 0.01 -1.75 0.01 0.00 0.00 0.00 0.00 61.98 60.25 2itt s VAL 980 Cb -0.10 -2.91 0.02 0.00 0.00 0.00 0.00 36.38 33.39 2itt s VAL 980 CO 0.01 -0.38 -0.12 -0.63 0.00 0.00 0.00 175.10 173.99 2itt s ILE 981 N 1.17 1.26 -0.23 2.22 1.01 -1.26 -4.52 121.20 120.86 2itt s ILE 981 Ca 0.02 -0.48 -0.32 0.00 0.00 0.00 0.00 60.65 59.87 2itt s ILE 981 Cb -0.21 -1.20 -0.09 0.00 0.01 0.00 0.00 42.46 40.97 2itt s ILE 981 CO -0.03 0.40 2.12 0.00 0.00 0.00 0.00 174.94 177.43 2itt n GLN 982 N 4.49 1.73 0.00 2.79 3.00 -1.26 -1.70 117.38 126.43 2itt n GLN 982 Ca -0.17 0.53 0.00 0.00 -0.01 0.00 0.00 57.00 57.35 2itt n GLN 982 Cb 0.51 -2.81 0.00 0.00 0.00 0.00 0.00 30.24 27.94 2itt n GLN 982 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2itt n GLY 983 N 5.67 1.03 0.18 1.08 0.00 -1.26 -5.00 105.19 106.89 2itt n GLY 983 Ca 0.32 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.23 2itt n GLY 983 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2itt h ASP 984 N 0.00 -0.40 -0.57 1.61 -0.00 -1.74 -2.76 116.42 112.56 2itt h ASP 984 Ca 0.00 0.06 0.17 0.00 -0.00 0.00 0.00 57.03 57.25 2itt h ASP 984 Cb 0.00 0.17 -0.02 0.00 -0.00 0.00 0.00 39.33 39.48 2itt h ASP 984 CO 0.00 -0.20 0.71 1.05 -0.00 0.00 0.00 179.24 180.80 2itt h GLU 985 N -0.24 0.00 -0.05 0.28 9.09 -1.95 -2.87 114.58 118.84 2itt h GLU 985 Ca 0.05 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.43 2itt h GLU 985 Cb 0.29 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.38 2itt h GLU 985 CO -0.13 0.00 -0.31 2.89 0.05 0.00 0.00 179.01 181.51 2itt n ARG 986 N -3.45 1.59 -3.74 1.06 1.85 -1.04 -5.04 116.66 107.89 2itt n ARG 986 Ca 0.12 -3.10 -0.35 0.00 -1.00 0.00 0.00 57.85 53.51 2itt n ARG 986 Cb 0.91 -1.62 -0.08 0.00 -1.05 0.00 0.00 32.46 30.62 2itt n ARG 986 CO 0.00 0.00 0.00 -1.64 -0.01 0.00 0.00 177.63 175.98 2itt s MET 987 N -3.14 4.06 -0.01 2.89 -1.94 -1.09 -5.10 119.30 114.98 2itt s MET 987 Ca 0.37 -0.18 0.01 0.00 -1.71 0.00 0.00 55.69 54.19 2itt s MET 987 Cb 0.35 -3.38 0.00 0.00 2.01 0.00 0.00 34.83 33.82 2itt s MET 987 CO -0.03 0.38 -0.04 -3.38 -0.01 0.00 0.00 175.02 171.94 2itt s HIS 988 N 0.12 0.42 0.00 -0.03 -0.00 -1.26 -4.87 115.29 109.66 2itt s HIS 988 Ca 0.10 -0.08 0.00 0.00 -0.00 0.00 0.00 55.06 55.08 2itt s HIS 988 Cb -0.11 -0.32 0.00 0.00 -0.00 0.00 0.00 32.58 32.15 2itt s HIS 988 CO -0.00 -0.04 0.00 1.28 -0.00 0.00 0.00 174.74 175.97 2itt n LEU 989 N 3.25 0.00 0.00 5.38 4.77 -1.26 -5.01 117.00 124.13 2itt n LEU 989 Ca -0.16 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.82 2itt n LEU 989 Cb 0.56 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.65 2itt n LEU 989 CO 0.25 -0.17 0.00 0.80 -1.33 0.00 0.00 177.39 176.94 2itt n MET 1002N -0.35 0.00 -3.68 3.23 0.00 -1.26 -4.95 117.12 110.12 2itt n MET 1002Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 57.70 57.65 2itt n MET 1002Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 33.22 33.20 2itt n MET 1002CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 175.97 176.13 2itt s ASP 1003N 0.00 -0.24 0.40 6.12 1.47 -1.26 -5.18 116.67 117.98 2itt s ASP 1003Ca 0.00 -0.29 0.00 0.00 1.18 0.00 0.00 52.55 53.44 2itt s ASP 1003Cb 0.00 0.47 0.00 0.00 -0.34 0.00 0.00 42.92 43.05 2itt s ASP 1003CO 0.00 -0.85 0.00 -0.62 0.68 0.00 0.00 175.17 174.38 2itt n GLU 1004N -0.41 -3.04 -0.10 2.11 4.71 -1.26 -4.80 120.64 117.85 2itt n GLU 1004Ca -0.07 2.11 -0.13 0.00 -0.01 0.00 0.00 57.16 59.07 2itt n GLU 1004Cb 0.61 -3.68 -0.15 0.00 -1.01 0.00 0.00 31.44 27.22 2itt n GLU 1004CO 0.00 0.00 0.00 -0.85 0.09 0.00 0.00 177.13 176.37 2itt n GLU 1005N -4.31 0.68 -2.26 3.49 0.00 -1.26 -4.74 120.64 112.24 2itt n GLU 1005Ca -0.01 0.06 -0.34 0.00 0.00 0.00 0.00 57.16 56.87 2itt n GLU 1005Cb 0.68 -1.53 -0.04 0.00 0.00 0.00 0.00 31.44 30.54 2itt n GLU 1005CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.13 177.29 2itt s ASP 1006N -5.86 5.70 -0.06 -1.84 3.84 -1.26 -4.38 116.67 112.81 2itt s ASP 1006Ca -0.18 -1.92 0.09 0.00 -0.00 0.00 0.00 52.55 50.53 2itt s ASP 1006Cb 0.07 -2.59 0.13 0.00 -1.38 0.00 0.00 42.92 39.15 2itt s ASP 1006CO 0.76 -2.37 1.01 0.80 -0.00 0.00 0.00 175.17 175.37 2itt n MET 1007N 8.34 1.26 0.06 2.11 0.00 -1.26 -4.74 117.12 122.89 2itt n MET 1007Ca 0.46 -1.77 -0.02 0.00 0.00 0.00 0.00 57.70 56.37 2itt n MET 1007Cb 0.46 -1.06 0.23 0.00 0.00 0.00 0.00 33.22 32.85 2itt n MET 1007CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 175.97 175.53 2itt h ASP 1008N 0.00 0.35 -0.20 6.12 5.19 -2.00 -3.15 116.42 122.73 2itt h ASP 1008Ca 0.00 -0.13 0.00 0.00 -0.62 0.00 0.00 57.03 56.28 2itt h ASP 1008Cb 0.97 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 40.39 2itt h ASP 1008CO 0.00 0.66 0.00 0.47 -3.12 0.00 0.00 179.24 177.25 2itt n ASP 1009N -4.08 2.67 -4.72 6.45 10.43 -1.26 -4.99 116.55 121.04 2itt n ASP 1009Ca -0.01 -1.78 -0.42 0.00 2.57 0.00 0.00 54.79 55.15 2itt n ASP 1009Cb 0.43 -0.13 -0.03 0.00 1.84 0.00 0.00 41.12 43.24 2itt n ASP 1009CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 2itt s VAL 1010N -1.17 2.26 -0.02 2.53 1.01 -1.19 -2.11 120.40 121.72 2itt s VAL 1010Ca 0.23 0.19 0.02 0.00 0.00 0.00 0.00 61.98 62.43 2itt s VAL 1010Cb 0.14 -3.12 0.00 0.00 0.00 0.00 0.00 36.38 33.40 2itt s VAL 1010CO 0.20 0.02 -0.08 -0.69 0.00 0.00 0.00 175.10 174.55 2itt s VAL 1011N 1.02 0.68 0.39 2.92 1.01 -0.81 -4.91 120.40 120.72 2itt s VAL 1011Ca 0.72 -0.32 -0.25 0.00 0.00 0.00 0.00 61.98 62.13 2itt s VAL 1011Cb -0.47 -0.61 -0.09 0.00 0.00 0.00 0.00 36.38 35.21 2itt s VAL 1011CO 0.33 0.22 1.11 -0.62 0.00 0.00 0.00 175.10 176.13 2itt s ASP 1012N 0.14 6.66 0.28 3.32 2.15 -1.26 -4.24 116.67 123.72 2itt s ASP 1012Ca -0.02 2.19 0.01 0.00 0.43 0.00 0.00 52.55 55.16 2itt s ASP 1012Cb -0.07 -2.60 0.67 0.00 -0.30 0.00 0.00 42.92 40.62 2itt s ASP 1012CO 0.00 -0.57 1.67 0.00 -0.17 0.00 0.00 175.17 176.10 2itt h ALA 1013N 2.62 1.26 -0.21 3.66 0.00 -1.92 -0.48 119.26 124.19 2itt h ALA 1013Ca -0.48 0.20 0.06 0.00 0.00 0.00 0.00 54.91 54.68 2itt h ALA 1013Cb 1.22 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 2itt h ALA 1013CO 0.63 -0.41 0.33 -0.44 0.00 0.00 0.00 179.25 179.36 2itt h ASP 1014N 0.27 0.00 -0.50 0.00 3.32 -2.00 0.46 116.42 117.98 2itt h ASP 1014Ca 0.53 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.58 2itt h ASP 1014Cb 1.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.57 2itt h ASP 1014CO -0.59 0.00 0.00 -0.62 -1.72 0.00 0.00 179.24 176.31 2itt n GLU 1015N -3.46 2.60 -3.71 3.56 4.71 -0.21 -4.83 120.64 119.31 2itt n GLU 1015Ca 0.03 -2.31 -0.37 0.00 -0.01 0.00 0.00 57.16 54.49 2itt n GLU 1015Cb 0.45 -1.44 -0.10 0.00 -1.01 0.00 0.00 31.44 29.34 2itt n GLU 1015CO 0.00 0.00 0.00 -0.47 0.09 0.00 0.00 177.13 176.75 2itt s TYR 1016N -1.09 3.53 0.03 -0.32 6.14 0.16 -4.93 117.35 120.87 2itt s TYR 1016Ca 0.37 -2.33 0.00 0.00 0.64 0.00 0.00 57.07 55.75 2itt s TYR 1016Cb 0.20 -3.30 -0.04 0.00 0.42 0.00 0.00 41.96 39.24 2itt s TYR 1016CO 0.26 -0.96 0.12 -0.51 0.64 0.00 0.00 175.55 175.10 2itt s LEU 1017N 0.99 4.03 -0.08 6.97 1.02 -1.26 -4.95 118.68 125.40 2itt s LEU 1017Ca 0.09 0.16 0.03 0.00 0.02 0.00 0.00 54.13 54.43 2itt s LEU 1017Cb -0.23 -2.51 -0.02 0.00 0.02 0.00 0.00 46.19 43.45 2itt s LEU 1017CO -0.03 0.22 -0.18 -0.63 0.02 0.00 0.00 176.35 175.75 2itt s ILE 1018N -1.33 2.68 -2.00 -0.59 -1.09 -1.26 -5.24 121.20 112.37 2itt s ILE 1018Ca 0.28 -0.83 0.03 0.00 -2.23 0.00 0.00 60.65 57.89 2itt s ILE 1018Cb -0.12 -2.05 0.08 0.00 -1.58 0.00 0.00 42.46 38.79 2itt s ILE 1018CO 0.20 0.56 0.66 -0.81 -1.23 0.00 0.00 174.94 174.32