#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x2m h PRO 701 N 0.00 0.42 0.03 1.61 0.11 -2.05 -1.19 132.00 130.93 2x2m h PRO 701 Ca 0.00 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 66.00 2x2m h PRO 701 Cb 0.00 -0.09 0.01 0.00 0.11 0.00 0.00 31.00 31.02 2x2m h PRO 701 CO 0.00 0.28 -0.34 1.25 -0.21 0.00 0.00 178.00 178.98 2x2m h LEU 702 N 0.43 0.24 -0.93 2.35 5.85 -1.99 -1.75 115.31 119.51 2x2m h LEU 702 Ca 0.38 -0.88 -0.03 0.00 0.84 0.00 0.00 57.88 58.19 2x2m h LEU 702 Cb 0.85 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.76 2x2m h LEU 702 CO -0.12 1.09 0.42 0.77 -0.34 0.00 0.00 178.44 180.26 2x2m h SER 703 N -0.58 1.06 -0.26 1.25 4.64 -1.89 0.30 113.55 118.07 2x2m h SER 703 Ca -0.05 -0.11 0.01 0.00 -0.47 0.00 0.00 61.79 61.17 2x2m h SER 703 Cb 1.18 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 62.98 2x2m h SER 703 CO 0.07 0.88 0.13 -0.07 -0.87 0.00 0.00 176.83 176.97 2x2m h LEU 704 N 1.17 0.20 -1.23 5.97 3.38 -1.27 -1.85 115.31 121.69 2x2m h LEU 704 Ca 0.29 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.21 2x2m h LEU 704 Cb 0.09 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 2x2m h LEU 704 CO -0.04 0.15 -0.03 0.28 0.09 0.00 0.00 178.44 178.89 2x2m h SER 705 N 0.28 0.46 -0.07 -0.43 0.02 -0.34 -1.77 113.55 111.70 2x2m h SER 705 Ca 0.10 -0.09 -0.06 0.00 -0.84 0.00 0.00 61.79 60.91 2x2m h SER 705 Cb 0.02 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.44 2x2m h SER 705 CO -0.07 0.55 -0.18 0.58 -1.14 0.00 0.00 176.83 176.58 2x2m h VAL 706 N 0.47 1.42 -0.21 2.27 2.07 -0.11 -1.58 116.25 120.58 2x2m h VAL 706 Ca 0.10 -1.51 0.05 0.00 0.82 0.00 0.00 66.70 66.15 2x2m h VAL 706 Cb 0.36 2.23 -0.05 0.00 -1.52 0.00 0.00 31.29 32.31 2x2m h VAL 706 CO 0.01 0.43 -0.09 -0.78 0.02 0.00 0.00 177.57 177.16 2x2m h ASP 707 N -0.24 -0.32 -0.51 0.57 3.58 -1.31 -1.24 116.42 116.95 2x2m h ASP 707 Ca -0.00 0.08 0.09 0.00 0.42 0.00 0.00 57.03 57.62 2x2m h ASP 707 Cb 0.78 0.18 -0.08 0.00 1.72 0.00 0.00 39.33 41.93 2x2m h ASP 707 CO 0.04 -0.12 0.06 0.00 -2.88 0.00 0.00 179.24 176.33 2x2m h ALA 708 N 1.12 0.54 -0.32 -0.78 0.00 -1.28 0.28 119.26 118.82 2x2m h ALA 708 Ca 0.11 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 2x2m h ALA 708 Cb 0.23 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2x2m h ALA 708 CO -0.26 -0.35 0.18 0.35 0.00 0.00 0.00 179.25 179.18 2x2m h PHE 709 N 0.18 0.44 -0.57 0.00 3.57 -1.09 -3.60 116.94 115.86 2x2m h PHE 709 Ca 0.26 -0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.66 2x2m h PHE 709 Cb 0.37 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.95 2x2m h PHE 709 CO -0.27 0.34 0.01 0.87 -2.23 0.00 0.00 178.31 177.03 2x2m h LYS 710 N 0.40 0.98 -0.92 1.11 1.79 -0.67 -3.51 116.57 115.74 2x2m h LYS 710 Ca 0.11 -0.29 0.00 0.00 -2.18 0.00 0.00 60.65 58.29 2x2m h LYS 710 Cb 0.05 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 30.60 2x2m h LYS 710 CO -0.02 0.96 0.00 0.44 -1.08 0.00 0.00 179.45 179.75 2x2m n ILE 711 N -4.19 0.26 0.00 1.86 -6.64 0.04 -5.10 119.36 105.58 2x2m n ILE 711 Ca 0.03 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 61.01 2x2m n ILE 711 Cb 0.33 -0.55 0.00 0.00 -1.44 0.00 0.00 39.64 37.98 2x2m n ILE 711 CO 0.00 0.00 0.00 -2.65 -1.77 0.00 0.00 176.55 172.13 2x2m n PRO 715 N 0.29 0.00 -0.62 6.28 -0.01 -1.26 -4.99 135.00 134.69 2x2m n PRO 715 Ca 0.00 0.00 0.07 0.00 -0.01 0.00 0.00 63.50 63.56 2x2m n PRO 715 Cb 0.25 0.00 0.31 0.00 -0.01 0.00 0.00 33.50 34.05 2x2m n PRO 715 CO 0.00 0.00 0.00 0.36 -0.01 0.00 0.00 175.50 175.85 2x2m n LYS 716 N 0.00 3.71 -0.00 -0.52 2.85 -1.26 -3.68 118.16 119.26 2x2m n LYS 716 Ca 0.00 -2.43 0.05 0.00 -1.05 0.00 0.00 58.31 54.87 2x2m n LYS 716 Cb 0.00 -1.96 -0.06 0.00 -0.65 0.00 0.00 35.03 32.37 2x2m n LYS 716 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 177.40 178.26 2x2m n TRP 717 N 0.68 0.00 -2.41 5.58 7.02 -1.26 -4.94 117.44 122.11 2x2m n TRP 717 Ca 0.22 0.00 -0.41 0.00 -1.02 0.00 0.00 57.50 56.29 2x2m n TRP 717 Cb 0.89 -0.04 -0.04 0.00 -2.42 0.00 0.00 31.31 29.70 2x2m n TRP 717 CO 0.00 0.00 0.00 -2.00 -2.02 0.00 0.00 177.69 173.67 2x2m s GLU 718 N -2.02 4.52 -0.03 -0.99 2.56 -1.24 -0.12 118.70 121.38 2x2m s GLU 718 Ca 0.02 1.84 0.01 0.00 0.00 0.00 0.00 54.97 56.84 2x2m s GLU 718 Cb 0.07 -3.24 0.02 0.00 2.00 0.00 0.00 34.13 32.98 2x2m s GLU 718 CO 0.39 -0.03 -0.02 0.12 -0.56 0.00 0.00 175.26 175.16 2x2m s PHE 719 N -0.21 0.44 0.17 5.30 5.36 -0.62 -4.84 117.98 123.59 2x2m s PHE 719 Ca 0.51 -0.07 -0.31 0.00 -0.96 0.00 0.00 56.93 56.10 2x2m s PHE 719 Cb -0.32 -0.45 -0.10 0.00 -0.34 0.00 0.00 43.02 41.81 2x2m s PHE 719 CO 0.37 -0.13 1.56 -1.25 -1.46 0.00 0.00 175.22 174.32 2x2m s PRO 720 N 0.81 4.21 0.34 10.12 0.04 -1.26 -4.40 135.00 144.86 2x2m s PRO 720 Ca -0.09 2.37 0.08 0.00 0.04 0.00 0.00 61.00 63.40 2x2m s PRO 720 Cb -0.12 -3.15 0.78 0.00 0.04 0.00 0.00 34.50 32.05 2x2m s PRO 720 CO -0.01 -0.60 1.84 -0.09 0.04 0.00 0.00 177.00 178.19 2x2m h ARG 721 N 6.65 0.72 0.00 4.56 9.65 -1.95 -2.45 114.38 131.55 2x2m h ARG 721 Ca -0.43 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.41 2x2m h ARG 721 Cb 1.21 -0.16 0.00 0.00 -1.39 0.00 0.00 29.97 29.62 2x2m h ARG 721 CO 0.90 0.47 0.00 0.36 2.80 0.00 0.00 179.97 184.51 2x2m n LYS 722 N -4.60 0.09 -0.18 0.20 0.00 -1.26 -1.75 118.16 110.66 2x2m n LYS 722 Ca 0.19 0.29 0.09 0.00 -0.00 0.00 0.00 58.31 58.88 2x2m n LYS 722 Cb 0.49 -1.65 0.25 0.00 -0.00 0.00 0.00 35.03 34.12 2x2m n LYS 722 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 2x2m n ASN 723 N -1.81 2.27 -4.19 -5.58 4.13 -0.92 -4.89 115.26 104.27 2x2m n ASN 723 Ca 0.03 -1.91 -0.32 0.00 1.68 0.00 0.00 54.58 54.06 2x2m n ASN 723 Cb 0.22 -0.23 -0.17 0.00 -1.54 0.00 0.00 39.78 38.06 2x2m n ASN 723 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 2x2m s LEU 724 N -1.23 2.11 -0.18 3.41 2.96 -0.72 0.15 118.68 125.17 2x2m s LEU 724 Ca 0.31 -0.58 0.01 0.00 -0.22 0.00 0.00 54.13 53.65 2x2m s LEU 724 Cb 0.17 -1.43 0.03 0.00 0.50 0.00 0.00 46.19 45.46 2x2m s LEU 724 CO 0.23 0.12 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.53 2x2m s VAL 725 N 0.59 1.91 0.27 1.68 1.01 -0.13 -4.98 120.40 120.75 2x2m s VAL 725 Ca -0.13 -0.96 -0.20 0.00 0.00 0.00 0.00 61.98 60.69 2x2m s VAL 725 Cb -0.17 -1.81 -0.09 0.00 0.00 0.00 0.00 36.38 34.32 2x2m s VAL 725 CO 0.03 0.41 0.77 -0.76 0.00 0.00 0.00 175.10 175.56 2x2m s LEU 726 N 1.32 4.28 0.00 3.92 1.43 -1.26 -1.09 118.68 127.28 2x2m s LEU 726 Ca 0.03 1.48 0.00 0.00 -1.03 0.00 0.00 54.13 54.61 2x2m s LEU 726 Cb -0.14 -3.78 0.00 0.00 0.03 0.00 0.00 46.19 42.29 2x2m s LEU 726 CO -0.11 -0.04 0.00 0.61 0.23 0.00 0.00 176.35 177.04 2x2m n GLY 727 N 0.46 5.25 3.75 -3.19 0.00 0.83 -4.95 105.19 107.33 2x2m n GLY 727 Ca -0.00 -1.52 -0.33 0.00 0.00 0.00 0.00 46.02 44.16 2x2m n GLY 727 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2x2m s LYS 728 N 3.36 2.44 0.18 1.61 -2.85 -1.26 -4.52 119.74 118.71 2x2m s LYS 728 Ca 0.00 1.53 -0.30 0.00 -1.00 0.00 0.00 55.97 56.20 2x2m s LYS 728 Cb 0.00 -1.89 -0.08 0.00 -2.06 0.00 0.00 37.83 33.80 2x2m s LYS 728 CO 0.00 -1.55 1.12 0.99 0.10 0.00 0.00 175.35 176.00 2x2m s THR 729 N -2.24 3.81 -0.19 3.79 2.01 -1.26 -0.90 115.64 120.66 2x2m s THR 729 Ca 0.70 1.56 0.11 0.00 0.31 0.00 0.00 61.69 64.36 2x2m s THR 729 Cb -0.24 -3.99 -0.23 0.00 0.01 0.00 0.00 72.50 68.05 2x2m s THR 729 CO 0.44 0.26 0.10 0.18 -0.69 0.00 0.00 174.62 174.91 2x2m n LEU 730 N 2.39 1.13 0.00 4.42 4.77 0.57 -4.85 117.00 125.44 2x2m n LEU 730 Ca 0.03 0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 2x2m n LEU 730 Cb 0.46 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 2x2m n LEU 730 CO 0.54 0.63 0.00 0.61 -1.33 0.00 0.00 177.39 177.84 2x2m n GLY 731 N 1.88 0.73 3.15 -0.72 0.00 -1.06 -5.03 105.19 104.15 2x2m n GLY 731 Ca -0.34 -0.64 -0.31 0.00 0.00 0.00 0.00 46.02 44.73 2x2m n GLY 731 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2x2m s GLU 732 N -2.00 2.75 -0.05 1.61 8.01 -1.26 -0.41 118.70 127.36 2x2m s GLU 732 Ca 0.00 -0.76 0.04 0.00 0.01 0.00 0.00 54.97 54.26 2x2m s GLU 732 Cb 0.00 -2.19 -0.02 0.00 -4.31 0.00 0.00 34.13 27.61 2x2m s GLU 732 CO 0.00 0.05 -0.17 0.21 0.01 0.00 0.00 175.26 175.36 2x2m s LYS 737 N 0.67 2.45 -0.02 1.61 2.20 -1.20 -5.25 119.74 120.20 2x2m s LYS 737 Ca -0.12 -0.74 -0.00 0.00 -0.36 0.00 0.00 55.97 54.75 2x2m s LYS 737 Cb -0.16 -2.32 0.03 0.00 -1.51 0.00 0.00 37.83 33.87 2x2m s LYS 737 CO 0.02 0.60 0.03 0.08 -0.36 0.00 0.00 175.35 175.72 2x2m s VAL 738 N -0.67 -0.02 0.15 4.02 1.01 0.45 -1.47 120.40 123.87 2x2m s VAL 738 Ca 0.10 0.21 0.10 0.00 0.00 0.00 0.00 61.98 62.39 2x2m s VAL 738 Cb -0.11 -0.12 -0.04 0.00 0.00 0.00 0.00 36.38 36.11 2x2m s VAL 738 CO 0.00 0.10 -0.24 0.68 0.00 0.00 0.00 175.10 175.64 2x2m s VAL 739 N 1.12 2.16 0.40 2.92 -7.23 -0.10 -0.32 120.40 119.36 2x2m s VAL 739 Ca -0.08 -1.81 -0.25 0.00 -1.81 0.00 0.00 61.98 58.02 2x2m s VAL 739 Cb -0.13 -1.95 -0.08 0.00 0.56 0.00 0.00 36.38 34.78 2x2m s VAL 739 CO -0.03 -0.02 1.16 -0.75 -0.31 0.00 0.00 175.10 175.14 2x2m s LYS 740 N -2.26 4.06 0.30 4.82 2.20 -0.08 -0.68 119.74 128.10 2x2m s LYS 740 Ca 0.15 1.80 -0.15 0.00 -0.36 0.00 0.00 55.97 57.41 2x2m s LYS 740 Cb -0.09 -2.66 0.02 0.00 -1.51 0.00 0.00 37.83 33.59 2x2m s LYS 740 CO 0.07 -0.30 0.64 0.00 -0.36 0.00 0.00 175.35 175.39 2x2m s ALA 741 N -1.44 -0.61 0.00 3.13 0.00 -0.33 -0.12 121.76 122.40 2x2m s ALA 741 Ca 0.57 -0.71 0.01 0.00 0.00 0.00 0.00 51.96 51.83 2x2m s ALA 741 Cb -0.30 0.91 -0.00 0.00 0.00 0.00 0.00 23.12 23.73 2x2m s ALA 741 CO 0.37 -0.95 -0.03 -0.08 0.00 0.00 0.00 175.76 175.08 2x2m s THR 742 N -3.51 0.23 -0.08 0.00 -1.32 -0.25 -1.54 115.64 109.18 2x2m s THR 742 Ca 0.18 -0.23 0.01 0.00 -1.21 0.00 0.00 61.69 60.44 2x2m s THR 742 Cb -0.04 -0.22 0.02 0.00 -1.51 0.00 0.00 72.50 70.76 2x2m s THR 742 CO 0.10 -0.00 -0.10 0.00 -2.21 0.00 0.00 174.62 172.40 2x2m s ALA 743 N -0.23 1.27 -0.18 11.08 0.00 -0.11 -0.96 121.76 132.63 2x2m s ALA 743 Ca -0.01 -0.45 -0.19 0.00 0.00 0.00 0.00 51.96 51.31 2x2m s ALA 743 Cb -0.02 -0.68 -0.03 0.00 0.00 0.00 0.00 23.12 22.38 2x2m s ALA 743 CO -0.00 -0.08 0.52 0.12 0.00 0.00 0.00 175.76 176.32 2x2m s PHE 744 N 1.03 3.40 -1.24 0.00 5.36 0.12 -1.14 117.98 125.52 2x2m s PHE 744 Ca -0.08 0.81 -0.03 0.00 -0.96 0.00 0.00 56.93 56.67 2x2m s PHE 744 Cb -0.15 -2.65 0.00 0.00 -0.34 0.00 0.00 43.02 39.88 2x2m s PHE 744 CO -0.01 -0.05 1.06 1.58 -1.46 0.00 0.00 175.22 176.34 2x2m n HIS 745 N 4.55 -2.42 -2.43 10.12 -0.00 0.34 -4.88 115.22 120.51 2x2m n HIS 745 Ca -0.05 0.96 -0.43 0.00 0.46 0.00 0.00 57.72 58.66 2x2m n HIS 745 Cb 0.51 -5.02 -0.02 0.00 -0.12 0.00 0.00 29.99 25.33 2x2m n HIS 745 CO 0.00 0.00 0.00 -1.17 0.46 0.00 0.00 176.34 175.63 2x2m s LEU 746 N -6.64 3.78 -1.12 0.27 2.96 -1.20 -4.34 118.68 112.38 2x2m s LEU 746 Ca 0.22 1.03 -0.27 0.00 -0.22 0.00 0.00 54.13 54.89 2x2m s LEU 746 Cb -0.10 -3.54 0.04 0.00 0.50 0.00 0.00 46.19 43.09 2x2m s LEU 746 CO 0.72 -1.18 0.67 0.29 -1.32 0.00 0.00 176.35 175.52 2x2m n LYS 747 N 7.55 -0.56 -0.10 1.98 5.02 -1.26 -0.49 118.16 130.30 2x2m n LYS 747 Ca 0.15 0.24 0.00 0.00 -2.02 0.00 0.00 58.31 56.68 2x2m n LYS 747 Cb 0.47 -2.50 0.00 0.00 -0.02 0.00 0.00 35.03 32.98 2x2m n LYS 747 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2x2m n GLY 748 N -1.99 2.17 3.65 0.72 0.00 -1.26 -4.98 105.19 103.51 2x2m n GLY 748 Ca -0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.43 2x2m n GLY 748 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2x2m s ARG 749 N -0.02 4.16 0.39 1.61 0.52 0.35 -5.01 118.95 120.94 2x2m s ARG 749 Ca 0.00 1.42 -0.25 0.00 -0.52 0.00 0.00 55.73 56.38 2x2m s ARG 749 Cb 0.00 -3.75 -0.09 0.00 0.52 0.00 0.00 34.95 31.63 2x2m s ARG 749 CO 0.00 -0.79 1.11 0.00 0.02 0.00 0.00 175.30 175.63 2x2m s ALA 750 N 3.61 3.14 0.00 2.13 0.00 -1.26 -3.25 121.76 126.13 2x2m s ALA 750 Ca 0.51 0.84 0.00 0.00 0.00 0.00 0.00 51.96 53.31 2x2m s ALA 750 Cb -0.18 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.62 2x2m s ALA 750 CO 0.14 -0.35 0.00 0.41 0.00 0.00 0.00 175.76 175.96 2x2m n GLY 751 N 0.56 0.16 3.81 0.00 0.00 -1.26 -4.83 105.19 103.63 2x2m n GLY 751 Ca 0.04 -0.94 -0.36 0.00 0.00 0.00 0.00 46.02 44.76 2x2m n GLY 751 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2x2m s TYR 752 N 0.00 3.48 -0.09 1.61 1.51 -1.26 -0.50 117.35 122.09 2x2m s TYR 752 Ca 0.00 0.41 0.03 0.00 -1.01 0.00 0.00 57.07 56.50 2x2m s TYR 752 Cb 0.00 -1.97 0.01 0.00 -0.11 0.00 0.00 41.96 39.89 2x2m s TYR 752 CO 0.00 0.57 -0.19 0.99 -1.11 0.00 0.00 175.55 175.81 2x2m s THR 753 N -0.65 1.71 0.07 -0.71 2.01 -0.29 -4.91 115.64 112.86 2x2m s THR 753 Ca 0.12 -0.81 -0.31 0.00 0.31 0.00 0.00 61.69 61.01 2x2m s THR 753 Cb -0.12 -1.50 -0.06 0.00 0.01 0.00 0.00 72.50 70.83 2x2m s THR 753 CO 0.02 0.48 1.27 -0.89 -0.69 0.00 0.00 174.62 174.81 2x2m s THR 754 N 0.54 3.82 0.17 -0.82 2.01 -1.26 -0.93 115.64 119.17 2x2m s THR 754 Ca -0.16 1.30 -0.03 0.00 0.31 0.00 0.00 61.69 63.11 2x2m s THR 754 Cb -0.17 -3.83 -0.03 0.00 0.01 0.00 0.00 72.50 68.48 2x2m s THR 754 CO 0.06 0.09 0.15 0.68 -0.69 0.00 0.00 174.62 174.90 2x2m s VAL 755 N 1.22 0.05 0.17 3.82 -7.23 -0.59 -4.45 120.40 113.40 2x2m s VAL 755 Ca 0.61 -1.82 0.06 0.00 -1.81 0.00 0.00 61.98 59.01 2x2m s VAL 755 Cb -0.31 -2.18 -0.04 0.00 0.56 0.00 0.00 36.38 34.41 2x2m s VAL 755 CO 0.29 -0.25 0.10 0.00 -0.31 0.00 0.00 175.10 174.93 2x2m s ALA 756 N -4.07 3.47 -0.12 1.32 0.00 -0.30 -1.18 121.76 120.87 2x2m s ALA 756 Ca 0.28 -1.27 -0.01 0.00 0.00 0.00 0.00 51.96 50.96 2x2m s ALA 756 Cb 0.06 -1.26 0.03 0.00 0.00 0.00 0.00 23.12 21.95 2x2m s ALA 756 CO 0.05 0.48 -0.05 0.08 0.00 0.00 0.00 175.76 176.32 2x2m s VAL 757 N -1.78 0.89 -0.11 0.00 1.01 0.15 -0.46 120.40 120.09 2x2m s VAL 757 Ca 0.30 -0.31 -0.17 0.00 0.00 0.00 0.00 61.98 61.81 2x2m s VAL 757 Cb -0.10 -1.00 -0.05 0.00 0.00 0.00 0.00 36.38 35.24 2x2m s VAL 757 CO 0.22 0.25 0.43 -0.54 0.00 0.00 0.00 175.10 175.46 2x2m s LYS 758 N 1.75 4.26 0.26 2.72 1.02 0.05 -0.93 119.74 128.87 2x2m s LYS 758 Ca 0.04 0.36 0.02 0.00 0.02 0.00 0.00 55.97 56.41 2x2m s LYS 758 Cb -0.13 -3.40 -0.04 0.00 -0.52 0.00 0.00 37.83 33.73 2x2m s LYS 758 CO -0.07 0.25 0.18 0.00 -0.92 0.00 0.00 175.35 174.78 2x2m s MET 759 N 0.35 1.44 0.08 1.68 0.23 -0.54 -1.09 119.30 121.45 2x2m s MET 759 Ca 0.23 -1.80 -0.31 0.00 -1.03 0.00 0.00 55.69 52.79 2x2m s MET 759 Cb -0.15 0.20 -0.06 0.00 -1.53 0.00 0.00 34.83 33.29 2x2m s MET 759 CO 0.09 -0.47 1.21 -0.51 -2.03 0.00 0.00 175.02 173.31 2x2m s LEU 760 N -3.27 4.38 1.08 0.18 1.43 -1.26 -3.24 118.68 117.99 2x2m s LEU 760 Ca 0.39 2.06 -0.12 0.00 -1.03 0.00 0.00 54.13 55.43 2x2m s LEU 760 Cb 0.05 -3.58 0.24 0.00 0.03 0.00 0.00 46.19 42.93 2x2m s LEU 760 CO 0.18 -0.47 1.06 -0.54 0.23 0.00 0.00 176.35 176.81 2x2m s LYS 761 N 0.91 -0.28 0.17 1.70 1.02 -1.26 -4.89 119.74 117.11 2x2m s LYS 761 Ca 0.58 1.01 -0.32 0.00 0.02 0.00 0.00 55.97 57.27 2x2m s LYS 761 Cb -0.30 -1.61 -0.12 0.00 -0.52 0.00 0.00 37.83 35.28 2x2m s LYS 761 CO 0.30 -3.35 1.75 0.39 -0.92 0.00 0.00 175.35 173.52 2x2m n GLU 762 N -4.67 2.73 -2.70 1.68 4.71 -1.26 -3.29 120.64 117.84 2x2m n GLU 762 Ca 0.06 0.99 -0.06 0.00 -0.01 0.00 0.00 57.16 58.13 2x2m n GLU 762 Cb 0.54 -2.84 0.02 0.00 -1.01 0.00 0.00 31.44 28.15 2x2m n GLU 762 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 2x2m n ASN 763 N 4.48 -2.89 -4.76 1.62 3.02 -1.26 -4.97 115.26 110.51 2x2m n ASN 763 Ca 0.17 -0.17 -0.41 0.00 -0.03 0.00 0.00 54.58 54.14 2x2m n ASN 763 Cb 0.35 -1.85 -0.02 0.00 -0.61 0.00 0.00 39.78 37.65 2x2m n ASN 763 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2x2m s ALA 764 N -3.10 3.63 0.53 5.41 0.00 -1.21 -5.02 121.76 122.01 2x2m s ALA 764 Ca 0.12 1.42 -0.06 0.00 0.00 0.00 0.00 51.96 53.44 2x2m s ALA 764 Cb -0.05 -3.58 -0.02 0.00 0.00 0.00 0.00 23.12 19.47 2x2m s ALA 764 CO 0.22 -0.84 0.85 -1.54 0.00 0.00 0.00 175.76 174.45 2x2m s SER 765 N 0.19 6.02 0.29 0.00 1.04 -1.26 -4.91 113.70 115.07 2x2m s SER 765 Ca 0.58 0.91 0.04 0.00 0.48 0.00 0.00 55.95 57.96 2x2m s SER 765 Cb -0.44 -2.08 0.73 0.00 0.10 0.00 0.00 66.02 64.33 2x2m s SER 765 CO 0.49 -0.78 1.72 -0.65 0.98 0.00 0.00 173.24 175.00 2x2m h PRO 766 N 0.02 0.48 -0.75 4.02 0.11 -1.99 -0.53 132.00 133.36 2x2m h PRO 766 Ca -0.46 -0.03 0.08 0.00 0.11 0.00 0.00 66.00 65.70 2x2m h PRO 766 Cb 1.22 -0.11 -0.07 0.00 0.11 0.00 0.00 31.00 32.16 2x2m h PRO 766 CO 0.61 0.32 0.42 1.03 -0.21 0.00 0.00 178.00 180.17 2x2m h SER 767 N 0.50 0.59 -0.03 -2.05 0.87 -1.99 0.11 113.55 111.55 2x2m h SER 767 Ca 0.56 0.04 -0.21 0.00 -1.23 0.00 0.00 61.79 60.96 2x2m h SER 767 Cb 1.02 -0.07 0.01 0.00 -0.44 0.00 0.00 62.40 62.92 2x2m h SER 767 CO -0.48 0.35 -0.77 -0.33 -0.53 0.00 0.00 176.83 175.07 2x2m h GLU 768 N 0.72 0.68 -0.18 2.24 5.08 -1.51 -1.17 114.58 120.44 2x2m h GLU 768 Ca 0.36 -0.56 0.03 0.00 -1.00 0.00 0.00 59.36 58.18 2x2m h GLU 768 Cb 0.30 0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.64 2x2m h GLU 768 CO -0.23 1.18 0.00 1.25 -1.00 0.00 0.00 179.01 180.21 2x2m h LEU 769 N 0.46 -0.07 -0.60 1.33 5.85 -0.64 -0.86 115.31 120.78 2x2m h LEU 769 Ca -0.05 0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.73 2x2m h LEU 769 Cb 1.39 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 42.45 2x2m h LEU 769 CO 0.15 -0.01 0.38 -0.09 -0.34 0.00 0.00 178.44 178.53 2x2m h ARG 770 N 0.06 0.73 -0.94 1.25 2.43 -0.74 -1.82 114.38 115.36 2x2m h ARG 770 Ca 0.09 -0.04 0.06 0.00 -0.81 0.00 0.00 59.98 59.27 2x2m h ARG 770 Cb 0.11 -0.17 -0.06 0.00 -0.42 0.00 0.00 29.97 29.43 2x2m h ARG 770 CO -0.14 0.48 0.60 -0.44 -1.51 0.00 0.00 179.97 178.96 2x2m h ASP 771 N 0.75 0.97 -0.36 -3.80 3.32 -0.86 -1.23 116.42 115.21 2x2m h ASP 771 Ca 0.24 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.25 2x2m h ASP 771 Cb -0.01 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.32 2x2m h ASP 771 CO -0.08 0.63 0.06 0.25 -1.72 0.00 0.00 179.24 178.38 2x2m h LEU 772 N 1.11 0.58 -1.46 1.55 5.85 -0.67 -1.39 115.31 120.88 2x2m h LEU 772 Ca 0.40 -0.26 -0.05 0.00 0.84 0.00 0.00 57.88 58.81 2x2m h LEU 772 Cb 0.12 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 2x2m h LEU 772 CO -0.16 0.68 -0.18 -0.07 -0.34 0.00 0.00 178.44 178.38 2x2m h LEU 773 N 0.44 0.12 -0.02 2.25 3.38 -0.99 -2.16 115.31 118.34 2x2m h LEU 773 Ca 0.11 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.99 2x2m h LEU 773 Cb 0.35 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.08 2x2m h LEU 773 CO 0.01 0.31 -0.26 -1.28 0.09 0.00 0.00 178.44 177.30 2x2m h SER 774 N 0.12 0.26 -0.09 -0.43 0.87 -1.14 -1.62 113.55 111.52 2x2m h SER 774 Ca 0.02 -0.73 0.04 0.00 -1.23 0.00 0.00 61.79 59.89 2x2m h SER 774 Cb 0.39 -0.08 -0.06 0.00 -0.44 0.00 0.00 62.40 62.21 2x2m h SER 774 CO 0.03 0.96 -0.31 -0.08 -0.53 0.00 0.00 176.83 176.89 2x2m h GLU 775 N -0.41 -0.40 -0.57 2.24 4.81 -0.93 -0.52 114.58 118.81 2x2m h GLU 775 Ca -0.03 0.03 0.11 0.00 -0.13 0.00 0.00 59.36 59.34 2x2m h GLU 775 Cb 0.98 0.09 -0.09 0.00 0.63 0.00 0.00 28.75 30.37 2x2m h GLU 775 CO 0.05 -0.27 0.06 0.35 -0.73 0.00 0.00 179.01 178.48 2x2m h PHE 776 N -0.41 0.08 -0.50 0.92 3.57 -1.41 0.18 116.94 119.35 2x2m h PHE 776 Ca 0.08 0.04 -0.08 0.00 3.53 0.00 0.00 57.97 61.55 2x2m h PHE 776 Cb 0.54 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.31 2x2m h PHE 776 CO -0.38 -0.08 0.01 -0.97 -2.23 0.00 0.00 178.31 174.65 2x2m h ASN 777 N 0.18 0.81 -0.14 0.41 -0.73 -0.79 -1.29 115.58 114.02 2x2m h ASN 777 Ca 0.29 -0.20 -0.12 0.00 1.87 0.00 0.00 56.30 58.15 2x2m h ASN 777 Cb 0.45 -0.21 0.00 0.00 0.27 0.00 0.00 38.32 38.83 2x2m h ASN 777 CO -0.43 0.87 -0.38 0.58 -0.37 0.00 0.00 177.43 177.70 2x2m h VAL 778 N 0.78 1.36 -0.06 2.57 2.07 -0.51 -3.27 116.25 119.20 2x2m h VAL 778 Ca 0.15 -1.66 -0.04 0.00 0.82 0.00 0.00 66.70 65.97 2x2m h VAL 778 Cb 0.46 2.05 -0.01 0.00 -1.52 0.00 0.00 31.29 32.27 2x2m h VAL 778 CO 0.02 0.50 -0.15 -0.07 0.02 0.00 0.00 177.57 177.89 2x2m h LEU 779 N 0.12 0.08 -2.09 2.57 3.38 -0.50 -1.14 115.31 117.74 2x2m h LEU 779 Ca -0.01 -0.01 0.10 0.00 0.09 0.00 0.00 57.88 58.04 2x2m h LEU 779 Cb 0.99 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 2x2m h LEU 779 CO 0.08 0.25 0.31 0.11 0.09 0.00 0.00 178.44 179.28 2x2m h LYS 780 N 0.09 0.00 -0.01 1.13 1.57 -1.29 -3.17 116.57 114.90 2x2m h LYS 780 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2x2m h LYS 780 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.63 2x2m h LYS 780 CO 0.02 0.00 -0.56 1.04 -0.57 0.00 0.00 179.45 179.38 2x2m n GLN 781 N -3.95 1.33 -5.26 3.15 6.02 -0.44 -5.00 117.38 113.23 2x2m n GLN 781 Ca 0.05 -0.57 -0.31 0.00 -0.01 0.00 0.00 57.00 56.16 2x2m n GLN 781 Cb 0.48 -1.36 -0.16 0.00 1.02 0.00 0.00 30.24 30.22 2x2m n GLN 781 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2x2m s VAL 782 N -2.36 2.05 -0.30 5.09 0.11 -1.18 -5.10 120.40 118.71 2x2m s VAL 782 Ca 0.12 -1.13 0.03 0.00 -2.93 0.00 0.00 61.98 58.07 2x2m s VAL 782 Cb 0.15 -1.70 0.20 0.00 -1.53 0.00 0.00 36.38 33.49 2x2m s VAL 782 CO 0.57 0.55 0.66 0.21 -3.33 0.00 0.00 175.10 173.77 2x2m s ASN 783 N -0.68 -1.44 -0.22 3.54 3.84 -1.26 -4.89 114.94 113.82 2x2m s ASN 783 Ca 0.10 0.11 -0.24 0.00 0.21 0.00 0.00 52.86 53.04 2x2m s ASN 783 Cb -0.10 1.91 0.06 0.00 -0.55 0.00 0.00 41.25 42.57 2x2m s ASN 783 CO -0.01 -0.26 0.66 -2.28 -2.79 0.00 0.00 177.10 172.43 2x2m s HIS 784 N 2.79 -0.71 0.61 0.43 2.46 -1.26 -5.03 115.29 114.57 2x2m s HIS 784 Ca 0.13 1.68 0.30 0.00 0.47 0.00 0.00 55.06 57.65 2x2m s HIS 784 Cb -0.08 0.27 1.67 0.00 -0.13 0.00 0.00 32.58 34.30 2x2m s HIS 784 CO -0.24 -0.38 2.04 -1.35 -2.47 0.00 0.00 174.74 172.33 2x2m h PRO 785 N 4.82 0.00 -0.39 2.88 0.11 -2.00 -2.04 132.00 135.38 2x2m h PRO 785 Ca -0.28 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.68 2x2m h PRO 785 Cb 1.16 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.18 2x2m h PRO 785 CO 0.13 0.00 0.03 0.72 -0.21 0.00 0.00 178.00 178.66 2x2m n HIS 786 N -3.54 1.28 -4.99 0.65 8.25 -1.26 -4.88 115.22 110.73 2x2m n HIS 786 Ca 0.02 -1.36 -0.28 0.00 -0.26 0.00 0.00 57.72 55.84 2x2m n HIS 786 Cb 0.40 -0.48 -0.16 0.00 1.12 0.00 0.00 29.99 30.87 2x2m n HIS 786 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2x2m s VAL 787 N -3.10 1.66 0.48 1.59 1.01 -0.77 -0.76 120.40 120.52 2x2m s VAL 787 Ca 0.45 -0.84 -0.24 0.00 0.00 0.00 0.00 61.98 61.36 2x2m s VAL 787 Cb 0.39 -1.42 -0.07 0.00 0.00 0.00 0.00 36.38 35.28 2x2m s VAL 787 CO 0.04 0.47 1.41 -0.51 0.00 0.00 0.00 175.10 176.52 2x2m s ILE 788 N 0.03 2.04 -0.12 2.22 1.10 -0.06 -4.62 121.20 121.79 2x2m s ILE 788 Ca -0.06 0.03 -0.06 0.00 -0.51 0.00 0.00 60.65 60.06 2x2m s ILE 788 Cb -0.13 -3.02 -0.04 0.00 0.15 0.00 0.00 42.46 39.42 2x2m s ILE 788 CO 0.03 0.00 0.10 -0.75 -2.11 0.00 0.00 174.94 172.22 2x2m s LYS 789 N -2.60 3.43 -0.10 3.50 2.20 -1.26 -4.94 119.74 119.97 2x2m s LYS 789 Ca 0.64 -0.21 -0.15 0.00 -0.36 0.00 0.00 55.97 55.89 2x2m s LYS 789 Cb -0.43 -3.12 -0.05 0.00 -1.51 0.00 0.00 37.83 32.72 2x2m s LYS 789 CO 0.54 0.69 0.38 -1.17 -0.36 0.00 0.00 175.35 175.43 2x2m s LEU 790 N -0.80 4.33 -0.21 5.43 2.96 -1.26 -0.51 118.68 128.63 2x2m s LEU 790 Ca 0.13 0.74 0.15 0.00 -0.22 0.00 0.00 54.13 54.93 2x2m s LEU 790 Cb -0.12 -2.52 -0.24 0.00 0.50 0.00 0.00 46.19 43.82 2x2m s LEU 790 CO 0.03 0.15 0.04 -1.22 -1.32 0.00 0.00 176.35 174.03 2x2m n TYR 791 N 2.99 0.03 -3.42 5.38 0.53 0.84 -4.96 117.16 118.56 2x2m n TYR 791 Ca -0.11 0.01 0.00 0.00 -1.02 0.00 0.00 57.90 56.78 2x2m n TYR 791 Cb 0.52 -1.01 0.00 0.00 -1.03 0.00 0.00 39.34 37.83 2x2m n TYR 791 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 2x2m n GLY 792 N 1.83 -0.98 3.38 2.72 0.00 -1.10 -4.90 105.19 106.14 2x2m n GLY 792 Ca -0.35 -0.91 -0.14 0.00 0.00 0.00 0.00 46.02 44.62 2x2m n GLY 792 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x2m s ALA 793 N -1.00 -1.28 -0.18 4.61 0.00 0.83 -0.85 121.76 123.88 2x2m s ALA 793 Ca 0.00 0.63 0.00 0.00 0.00 0.00 0.00 51.96 52.60 2x2m s ALA 793 Cb 0.00 0.28 0.01 0.00 0.00 0.00 0.00 23.12 23.42 2x2m s ALA 793 CO 0.00 -0.45 -0.17 0.00 0.00 0.00 0.00 175.76 175.14 2x2m n SER 795 N 4.57 0.30 0.05 0.00 3.41 -1.26 -1.59 113.62 119.11 2x2m n SER 795 Ca -0.20 -0.05 -0.15 0.00 -0.26 0.00 0.00 58.87 58.21 2x2m n SER 795 Cb 0.50 0.16 -0.09 0.00 -0.26 0.00 0.00 64.21 64.53 2x2m n SER 795 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 2x2m h GLN 796 N 0.00 -0.61 0.00 4.33 4.20 -1.93 -3.43 115.11 117.67 2x2m h GLN 796 Ca 0.00 0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.75 2x2m h GLN 796 Cb 0.00 0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.92 2x2m h GLN 796 CO 0.00 -0.40 0.00 -0.40 -0.67 0.00 0.00 178.83 177.36 2x2m n ASP 797 N -5.46 1.93 0.00 1.46 5.68 -1.26 -5.11 116.55 113.79 2x2m n ASP 797 Ca -0.07 -0.41 0.00 0.00 -0.50 0.00 0.00 54.79 53.81 2x2m n ASP 797 Cb 0.39 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.37 2x2m n ASP 797 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2x2m n GLY 798 N 4.83 0.00 3.77 6.12 0.00 -1.26 -4.74 105.19 113.91 2x2m n GLY 798 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 2x2m n GLY 798 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2x2m s PRO 799 N -0.17 3.36 0.10 1.61 0.02 -1.26 -4.83 135.00 133.82 2x2m s PRO 799 Ca 0.00 1.59 -0.31 0.00 0.02 0.00 0.00 61.00 62.30 2x2m s PRO 799 Cb 0.00 -2.01 -0.09 0.00 0.02 0.00 0.00 34.50 32.43 2x2m s PRO 799 CO 0.00 -0.84 1.56 -1.17 -0.33 0.00 0.00 177.00 176.22 2x2m s LEU 800 N -3.82 4.36 -0.04 -5.54 2.96 -1.26 -4.68 118.68 110.67 2x2m s LEU 800 Ca 0.72 2.47 0.01 0.00 -0.22 0.00 0.00 54.13 57.12 2x2m s LEU 800 Cb -0.23 -3.58 0.02 0.00 0.50 0.00 0.00 46.19 42.90 2x2m s LEU 800 CO 0.27 -0.82 -0.06 -0.76 -1.32 0.00 0.00 176.35 173.66 2x2m s LEU 801 N 1.92 1.50 -0.15 -0.68 1.43 -0.62 -4.25 118.68 117.82 2x2m s LEU 801 Ca 0.70 -0.15 -0.04 0.00 -1.03 0.00 0.00 54.13 53.62 2x2m s LEU 801 Cb -0.40 -0.48 -0.03 0.00 0.03 0.00 0.00 46.19 45.32 2x2m s LEU 801 CO 0.31 -0.02 -0.02 -0.76 0.23 0.00 0.00 176.35 176.09 2x2m s LEU 802 N 0.67 3.34 -0.30 1.79 1.43 -0.25 -1.01 118.68 124.35 2x2m s LEU 802 Ca -0.10 -0.08 -0.11 0.00 -1.03 0.00 0.00 54.13 52.81 2x2m s LEU 802 Cb -0.13 -1.80 -0.03 0.00 0.03 0.00 0.00 46.19 44.26 2x2m s LEU 802 CO 0.01 0.19 0.19 -0.63 0.23 0.00 0.00 176.35 176.33 2x2m s ILE 803 N 0.24 5.12 0.22 -0.59 1.01 -0.03 -0.77 121.20 126.39 2x2m s ILE 803 Ca -0.02 -0.04 0.04 0.00 0.00 0.00 0.00 60.65 60.64 2x2m s ILE 803 Cb -0.14 -3.51 -0.05 0.00 0.01 0.00 0.00 42.46 38.77 2x2m s ILE 803 CO 0.03 0.17 -0.04 0.68 0.00 0.00 0.00 174.94 175.78 2x2m s VAL 804 N 1.72 1.17 0.24 2.92 -7.23 0.39 -0.11 120.40 119.50 2x2m s VAL 804 Ca 0.06 -2.06 -0.31 0.00 -1.81 0.00 0.00 61.98 57.87 2x2m s VAL 804 Cb -0.16 -2.25 -0.14 0.00 0.56 0.00 0.00 36.38 34.39 2x2m s VAL 804 CO 0.10 -0.41 1.27 1.21 -0.31 0.00 0.00 175.10 176.95 2x2m n GLU 805 N -0.40 1.70 -3.06 4.82 2.13 0.34 -1.15 120.64 125.01 2x2m n GLU 805 Ca -0.06 0.60 -0.40 0.00 0.66 0.00 0.00 57.16 57.96 2x2m n GLU 805 Cb 0.63 -2.16 -0.05 0.00 0.27 0.00 0.00 31.44 30.13 2x2m n GLU 805 CO 0.00 0.00 0.00 -0.47 -0.41 0.00 0.00 177.13 176.25 2x2m s TYR 806 N -0.34 3.56 -0.38 4.31 5.04 -1.26 -4.29 117.35 123.99 2x2m s TYR 806 Ca 0.67 1.21 -0.05 0.00 -2.44 0.00 0.00 57.07 56.45 2x2m s TYR 806 Cb -0.71 -2.79 0.07 0.00 0.35 0.00 0.00 41.96 38.89 2x2m s TYR 806 CO 0.53 0.07 0.16 0.00 -1.34 0.00 0.00 175.55 174.97 2x2m s ALA 807 N 0.89 3.11 0.58 3.97 0.00 -1.26 -4.74 121.76 124.30 2x2m s ALA 807 Ca 0.36 -2.11 0.43 0.00 0.00 0.00 0.00 51.96 50.64 2x2m s ALA 807 Cb -0.17 -2.37 2.29 0.00 0.00 0.00 0.00 23.12 22.88 2x2m s ALA 807 CO 0.17 -1.56 2.31 1.57 0.00 0.00 0.00 175.76 178.25 2x2m h LYS 808 N 8.18 0.00 -0.25 0.00 2.10 -1.84 -1.84 116.57 122.92 2x2m h LYS 808 Ca -0.20 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.45 2x2m h LYS 808 Cb 1.07 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.40 2x2m h LYS 808 CO 0.67 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 178.78 2x2m n TYR 809 N -3.03 0.31 -4.62 0.07 4.02 -0.35 -5.05 117.16 108.51 2x2m n TYR 809 Ca -0.03 -0.17 0.00 0.00 -0.01 0.00 0.00 57.90 57.69 2x2m n TYR 809 Cb 0.09 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.40 2x2m n TYR 809 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2x2m n GLY 810 N 1.31 0.44 3.77 2.72 0.00 -0.69 -4.52 105.19 108.23 2x2m n GLY 810 Ca 0.16 -0.82 -0.34 0.00 0.00 0.00 0.00 46.02 45.03 2x2m n GLY 810 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2x2m s SER 811 N -4.00 5.32 0.35 1.61 1.04 -1.26 -0.49 113.70 116.27 2x2m s SER 811 Ca 0.00 2.06 0.08 0.00 0.48 0.00 0.00 55.95 58.57 2x2m s SER 811 Cb 0.00 -2.56 0.67 0.00 0.10 0.00 0.00 66.02 64.23 2x2m s SER 811 CO 0.00 -1.49 1.85 0.25 0.98 0.00 0.00 173.24 174.83 2x2m h LEU 812 N 0.43 0.25 0.04 2.42 5.85 0.14 -1.61 115.31 122.83 2x2m h LEU 812 Ca -0.48 -0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.17 2x2m h LEU 812 Cb 1.25 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.21 2x2m h LEU 812 CO 0.55 0.48 -0.02 -0.09 -0.34 0.00 0.00 178.44 179.02 2x2m h ARG 813 N 0.24 -0.05 -0.79 1.25 2.43 -1.75 0.58 114.38 116.28 2x2m h ARG 813 Ca 0.04 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.25 2x2m h ARG 813 Cb 0.51 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 30.02 2x2m h ARG 813 CO 0.03 0.25 0.51 0.78 -1.51 0.00 0.00 179.97 180.03 2x2m h GLY 814 N -0.35 1.14 1.07 2.80 0.00 -1.86 0.08 103.07 105.95 2x2m h GLY 814 Ca -0.01 -0.39 -0.11 0.00 0.00 0.00 0.00 47.33 46.83 2x2m h GLY 814 CO 0.01 0.33 -0.12 -2.75 0.00 0.00 0.00 176.54 174.02 2x2m h PHE 815 N 0.99 1.08 -0.26 5.60 3.57 -1.19 -1.99 116.94 124.75 2x2m h PHE 815 Ca 0.31 -0.23 -0.06 0.00 3.53 0.00 0.00 57.97 61.53 2x2m h PHE 815 Cb 0.00 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 38.47 2x2m h PHE 815 CO -0.03 1.03 -0.06 -0.07 -2.23 0.00 0.00 178.31 176.96 2x2m h LEU 816 N 0.83 0.50 -2.17 0.59 3.38 -0.47 -3.21 115.31 114.76 2x2m h LEU 816 Ca 0.13 -0.36 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 2x2m h LEU 816 Cb 0.68 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 2x2m h LEU 816 CO 0.05 0.74 -0.07 0.03 0.09 0.00 0.00 178.44 179.28 2x2m h ARG 817 N 0.24 0.00 -0.62 1.13 3.08 -0.81 -1.48 114.38 115.93 2x2m h ARG 817 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.12 2x2m h ARG 817 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.57 2x2m h ARG 817 CO 0.02 0.07 0.00 0.39 -1.07 0.00 0.00 179.97 179.38 2x2m n GLU 818 N -3.74 1.14 -3.89 0.04 1.02 -0.76 -5.09 120.64 109.36 2x2m n GLU 818 Ca -0.02 -0.13 -0.16 0.00 -0.02 0.00 0.00 57.16 56.82 2x2m n GLU 818 Cb 0.17 -1.34 -0.06 0.00 -0.02 0.00 0.00 31.44 30.19 2x2m n GLU 818 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2x2m n SER 819 N -0.14 -0.80 -4.42 1.62 3.41 -0.56 -5.08 113.62 107.66 2x2m n SER 819 Ca 0.01 -2.86 -0.36 0.00 -0.26 0.00 0.00 58.87 55.40 2x2m n SER 819 Cb 0.19 1.71 -0.13 0.00 -0.26 0.00 0.00 64.21 65.72 2x2m n SER 819 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2x2m s ALA 845 N -3.03 3.11 -0.01 7.33 0.00 -1.26 -5.09 121.76 122.81 2x2m s ALA 845 Ca 0.32 -1.16 0.01 0.00 0.00 0.00 0.00 51.96 51.13 2x2m s ALA 845 Cb 0.01 -2.04 0.01 0.00 0.00 0.00 0.00 23.12 21.09 2x2m s ALA 845 CO 0.23 -0.52 -0.03 -0.51 0.00 0.00 0.00 175.76 174.94 2x2m s LEU 846 N 1.59 1.77 0.66 0.00 1.43 -1.26 -5.15 118.68 117.72 2x2m s LEU 846 Ca 0.06 -0.06 -0.10 0.00 -1.03 0.00 0.00 54.13 53.00 2x2m s LEU 846 Cb -0.15 -0.20 0.00 0.00 0.03 0.00 0.00 46.19 45.87 2x2m s LEU 846 CO 0.03 0.00 1.03 0.42 0.23 0.00 0.00 176.35 178.07 2x2m s THR 847 N 0.23 3.75 0.39 5.49 -4.23 -1.26 -4.96 115.64 115.05 2x2m s THR 847 Ca -0.02 0.43 0.35 0.00 -1.18 0.00 0.00 61.69 61.27 2x2m s THR 847 Cb -0.05 -3.54 0.38 0.00 1.34 0.00 0.00 72.50 70.63 2x2m s THR 847 CO -0.00 -0.68 2.14 -0.03 -0.54 0.00 0.00 174.62 175.51 2x2m h MET 848 N -0.47 0.00 -0.17 3.99 4.05 -1.99 -1.98 114.93 118.35 2x2m h MET 848 Ca -0.45 0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 58.94 2x2m h MET 848 Cb 1.24 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 32.04 2x2m h MET 848 CO 0.63 0.04 -0.01 0.78 0.23 0.00 0.00 176.91 178.57 2x2m h GLY 849 N 0.99 0.34 0.59 1.39 0.00 -1.98 0.27 103.07 104.68 2x2m h GLY 849 Ca -0.00 -0.27 0.05 0.00 0.00 0.00 0.00 47.33 47.12 2x2m h GLY 849 CO 0.01 0.24 0.11 -0.55 0.00 0.00 0.00 176.54 176.35 2x2m h ASP 850 N 0.05 0.09 -0.07 0.19 3.32 -1.81 -1.53 116.42 116.67 2x2m h ASP 850 Ca 0.05 0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.15 2x2m h ASP 850 Cb 0.42 0.05 -0.00 0.00 0.22 0.00 0.00 39.33 40.02 2x2m h ASP 850 CO 0.01 0.09 0.04 -0.07 -1.72 0.00 0.00 179.24 177.59 2x2m h LEU 851 N 0.26 0.08 -0.64 1.55 3.38 -1.22 -1.81 115.31 116.90 2x2m h LEU 851 Ca 0.19 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 2x2m h LEU 851 Cb 0.19 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 2x2m h LEU 851 CO -0.21 0.09 0.39 0.40 0.09 0.00 0.00 178.44 179.20 2x2m h ILE 852 N 0.06 1.19 -0.76 1.22 2.04 -0.85 -1.92 117.51 118.49 2x2m h ILE 852 Ca 0.02 -0.41 0.06 0.00 1.00 0.00 0.00 64.86 65.53 2x2m h ILE 852 Cb 0.02 0.30 -0.05 0.00 -0.74 0.00 0.00 36.82 36.36 2x2m h ILE 852 CO -0.00 0.19 0.50 -1.28 0.00 0.00 0.00 178.15 177.56 2x2m h SER 853 N 0.87 0.74 0.05 1.72 0.87 -1.11 0.68 113.55 117.37 2x2m h SER 853 Ca 0.23 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.79 2x2m h SER 853 Cb -0.03 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 61.77 2x2m h SER 853 CO -0.04 0.49 -0.03 -0.26 -0.53 0.00 0.00 176.83 176.46 2x2m h PHE 854 N 0.84 -0.07 -0.64 2.24 0.05 -0.56 -0.03 116.94 118.77 2x2m h PHE 854 Ca 0.32 -0.00 0.02 0.00 3.82 0.00 0.00 57.97 62.13 2x2m h PHE 854 Cb 0.19 0.02 -0.04 0.00 2.00 0.00 0.00 35.95 38.13 2x2m h PHE 854 CO -0.00 0.09 0.40 0.00 -0.18 0.00 0.00 178.31 178.62 2x2m h ALA 855 N 0.73 0.82 -0.60 2.45 0.00 -0.89 -2.27 119.26 119.50 2x2m h ALA 855 Ca -0.01 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.89 2x2m h ALA 855 Cb 0.19 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 2x2m h ALA 855 CO 0.01 0.16 0.39 2.35 0.00 0.00 0.00 179.25 182.17 2x2m h TRP 856 N 0.79 0.74 -0.65 0.00 7.01 -0.62 0.28 115.95 123.50 2x2m h TRP 856 Ca 0.25 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.27 2x2m h TRP 856 Cb -0.00 -0.25 -0.03 0.00 -2.10 0.00 0.00 29.16 26.78 2x2m h TRP 856 CO -0.05 0.46 0.39 1.96 -2.79 0.00 0.00 178.44 178.41 2x2m h GLN 857 N 0.79 0.89 -0.51 2.65 4.20 -0.53 -1.25 115.11 121.35 2x2m h GLN 857 Ca 0.22 -0.08 -0.11 0.00 0.06 0.00 0.00 58.65 58.75 2x2m h GLN 857 Cb -0.07 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 27.51 2x2m h GLN 857 CO -0.06 0.64 -0.09 0.82 -0.67 0.00 0.00 178.83 179.46 2x2m h ILE 858 N 0.89 1.27 -0.77 2.54 2.04 -1.04 -1.76 117.51 120.68 2x2m h ILE 858 Ca 0.23 -1.23 0.03 0.00 1.00 0.00 0.00 64.86 64.90 2x2m h ILE 858 Cb -0.02 1.01 -0.05 0.00 -0.74 0.00 0.00 36.82 37.02 2x2m h ILE 858 CO -0.04 0.43 0.48 -1.28 0.00 0.00 0.00 178.15 177.74 2x2m h SER 859 N 0.83 0.79 -0.37 1.72 0.87 0.06 0.29 113.55 117.74 2x2m h SER 859 Ca 0.13 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.68 2x2m h SER 859 Cb 0.65 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.42 2x2m h SER 859 CO 0.04 0.54 0.19 -0.61 -0.53 0.00 0.00 176.83 176.47 2x2m h GLN 860 N 0.94 0.52 -0.55 2.24 5.75 -1.15 0.14 115.11 122.99 2x2m h GLN 860 Ca 0.31 -0.07 -0.02 0.00 -0.15 0.00 0.00 58.65 58.72 2x2m h GLN 860 Cb 0.03 -0.10 -0.03 0.00 1.07 0.00 0.00 27.48 28.46 2x2m h GLN 860 CO -0.12 0.44 0.27 0.78 -2.65 0.00 0.00 178.83 177.55 2x2m h GLY 861 N 0.47 0.85 0.60 2.39 0.00 -0.40 -1.79 103.07 105.20 2x2m h GLY 861 Ca 0.13 -0.42 0.05 0.00 0.00 0.00 0.00 47.33 47.09 2x2m h GLY 861 CO -0.02 0.40 0.14 -0.33 0.00 0.00 0.00 176.54 176.74 2x2m h MET 862 N 0.75 0.30 -0.55 4.80 2.86 -0.15 -0.45 114.93 122.48 2x2m h MET 862 Ca 0.19 -0.02 0.10 0.00 -2.06 0.00 0.00 59.70 57.92 2x2m h MET 862 Cb 0.11 -0.07 -0.08 0.00 0.06 0.00 0.00 31.60 31.62 2x2m h MET 862 CO -0.02 0.20 0.08 0.37 1.06 0.00 0.00 176.91 178.59 2x2m h GLN 863 N 0.31 0.20 -0.21 1.72 4.15 -0.46 0.67 115.11 121.48 2x2m h GLN 863 Ca 0.20 -0.01 0.01 0.00 0.77 0.00 0.00 58.65 59.61 2x2m h GLN 863 Cb 0.19 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.83 2x2m h GLN 863 CO -0.21 0.13 0.13 -0.92 -1.93 0.00 0.00 178.83 176.03 2x2m h TYR 864 N 0.20 0.24 -0.51 3.99 5.03 -1.02 -0.90 116.97 124.00 2x2m h TYR 864 Ca 0.29 0.01 -0.06 0.00 2.58 0.00 0.00 58.73 61.54 2x2m h TYR 864 Cb 0.42 -0.08 -0.02 0.00 1.55 0.00 0.00 36.73 38.60 2x2m h TYR 864 CO -0.27 0.15 0.05 -0.07 -1.32 0.00 0.00 178.16 176.70 2x2m h LEU 865 N 0.26 0.77 -0.57 2.82 3.38 0.26 -1.53 115.31 120.71 2x2m h LEU 865 Ca 0.08 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 2x2m h LEU 865 Cb -0.01 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 2x2m h LEU 865 CO -0.03 0.81 0.22 0.00 0.09 0.00 0.00 178.44 179.53 2x2m h ALA 866 N 1.29 0.74 -0.92 1.53 0.00 0.46 -1.38 119.26 120.97 2x2m h ALA 866 Ca 0.16 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 54.94 2x2m h ALA 866 Cb 0.39 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 2x2m h ALA 866 CO 0.01 0.36 0.61 0.93 0.00 0.00 0.00 179.25 181.15 2x2m h GLU 867 N 0.78 1.11 0.00 0.00 3.07 -0.65 0.10 114.58 118.99 2x2m h GLU 867 Ca 0.19 -0.07 0.00 0.00 -0.50 0.00 0.00 59.36 58.98 2x2m h GLU 867 Cb 0.21 -0.25 0.00 0.00 -0.84 0.00 0.00 28.75 27.87 2x2m h GLU 867 CO -0.01 0.73 0.00 -1.33 -1.40 0.00 0.00 179.01 177.00 2x2m n MET 868 N -4.45 0.78 -3.64 2.33 2.00 -0.62 -4.86 117.12 108.66 2x2m n MET 868 Ca 0.13 0.00 -0.23 0.00 0.00 0.00 0.00 57.70 57.60 2x2m n MET 868 Cb 0.12 -1.06 0.06 0.00 0.00 0.00 0.00 33.22 32.34 2x2m n MET 868 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 2x2m n LYS 869 N -0.56 -6.54 -4.87 0.03 4.76 0.36 -4.90 118.16 106.44 2x2m n LYS 869 Ca 0.02 0.75 -0.33 0.00 -2.87 0.00 0.00 58.31 55.88 2x2m n LYS 869 Cb 0.01 -5.66 -0.15 0.00 -1.84 0.00 0.00 35.03 27.39 2x2m n LYS 869 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2x2m s LEU 870 N -6.94 2.54 -0.24 -0.35 1.43 -0.56 -1.15 118.68 113.41 2x2m s LEU 870 Ca 0.34 -0.40 -0.11 0.00 -1.03 0.00 0.00 54.13 52.94 2x2m s LEU 870 Cb -0.16 -1.56 -0.05 0.00 0.03 0.00 0.00 46.19 44.45 2x2m s LEU 870 CO 0.77 0.16 0.19 -0.69 0.23 0.00 0.00 176.35 177.00 2x2m s VAL 871 N 0.38 5.34 -0.10 -1.59 1.01 -0.36 -4.18 120.40 120.90 2x2m s VAL 871 Ca -0.13 0.24 -0.25 0.00 0.00 0.00 0.00 61.98 61.84 2x2m s VAL 871 Cb -0.16 -3.53 -0.28 0.00 0.00 0.00 0.00 36.38 32.41 2x2m s VAL 871 CO 0.06 0.33 0.78 -0.74 0.00 0.00 0.00 175.10 175.52 2x2m h HIS 872 N 7.58 0.24 0.00 5.22 2.76 -1.90 -0.11 115.15 128.95 2x2m h HIS 872 Ca -0.37 -0.18 0.00 0.00 -2.20 0.00 0.00 60.37 57.62 2x2m h HIS 872 Cb 1.17 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 30.12 2x2m h HIS 872 CO 0.68 1.18 0.00 0.54 -1.30 0.00 0.00 177.93 179.03 2x2m n ARG 873 N -4.37 0.00 -1.35 5.26 1.74 -1.26 -3.56 116.66 113.13 2x2m n ARG 873 Ca -0.14 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 56.80 2x2m n ARG 873 Cb 0.65 0.00 0.11 0.00 -1.02 0.00 0.00 32.46 32.20 2x2m n ARG 873 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2x2m n ASP 874 N 1.79 3.97 -4.67 0.55 4.64 -1.26 -4.94 116.55 116.63 2x2m n ASP 874 Ca 0.00 -3.80 -0.43 0.00 -1.38 0.00 0.00 54.79 49.18 2x2m n ASP 874 Cb 0.00 -0.53 -0.02 0.00 -1.04 0.00 0.00 41.12 39.52 2x2m n ASP 874 CO 0.00 0.00 0.00 -0.22 -0.82 0.00 0.00 177.20 176.16 2x2m s LEU 875 N -3.47 4.18 -0.06 -2.67 2.96 -1.26 -4.81 118.68 113.55 2x2m s LEU 875 Ca 0.49 1.60 -0.29 0.00 -0.22 0.00 0.00 54.13 55.70 2x2m s LEU 875 Cb 0.41 -3.54 0.11 0.00 0.50 0.00 0.00 46.19 43.67 2x2m s LEU 875 CO 0.00 -0.67 0.91 0.00 -1.32 0.00 0.00 176.35 175.28 2x2m s ALA 876 N 3.01 -1.86 0.45 5.97 0.00 -1.26 -4.70 121.76 123.38 2x2m s ALA 876 Ca 0.51 1.23 0.19 0.00 0.00 0.00 0.00 51.96 53.89 2x2m s ALA 876 Cb -0.20 0.01 1.16 0.00 0.00 0.00 0.00 23.12 24.10 2x2m s ALA 876 CO 0.14 -0.54 1.92 0.00 0.00 0.00 0.00 175.76 177.28 2x2m h ALA 877 N 2.25 2.27 0.00 0.00 0.00 -1.93 0.95 119.26 122.80 2x2m h ALA 877 Ca -0.21 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2x2m h ALA 877 Cb 1.21 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2x2m h ALA 877 CO 0.31 -0.48 0.00 2.89 0.00 0.00 0.00 179.25 181.97 2x2m n ARG 878 N -4.45 0.16 -0.13 0.00 1.85 -1.26 -2.37 116.66 110.46 2x2m n ARG 878 Ca 0.15 0.41 0.08 0.00 -1.00 0.00 0.00 57.85 57.48 2x2m n ARG 878 Cb 0.61 -1.82 0.14 0.00 -1.05 0.00 0.00 32.46 30.35 2x2m n ARG 878 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 2x2m n ASN 879 N -2.13 2.81 -4.73 2.89 5.03 0.31 -4.79 115.26 114.66 2x2m n ASN 879 Ca 0.02 -1.83 -0.35 0.00 0.87 0.00 0.00 54.58 53.28 2x2m n ASN 879 Cb 0.21 -0.17 -0.08 0.00 -1.02 0.00 0.00 39.78 38.72 2x2m n ASN 879 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2x2m s ILE 880 N -1.12 4.88 0.15 2.41 -1.09 -1.00 -1.81 121.20 123.62 2x2m s ILE 880 Ca 0.25 -0.02 0.05 0.00 -2.23 0.00 0.00 60.65 58.70 2x2m s ILE 880 Cb 0.15 -3.13 -0.04 0.00 -1.58 0.00 0.00 42.46 37.86 2x2m s ILE 880 CO 0.20 0.56 0.12 -0.76 -1.23 0.00 0.00 174.94 173.84 2x2m s LEU 881 N -0.49 3.80 -0.38 2.97 1.43 0.44 0.49 118.68 126.94 2x2m s LEU 881 Ca 0.10 -0.10 -0.01 0.00 -1.03 0.00 0.00 54.13 53.09 2x2m s LEU 881 Cb -0.12 -2.43 0.10 0.00 0.03 0.00 0.00 46.19 43.78 2x2m s LEU 881 CO 0.02 0.09 0.14 -0.69 0.23 0.00 0.00 176.35 176.14 2x2m s VAL 882 N -1.68 2.94 0.19 -1.59 1.01 0.35 0.00 120.40 121.63 2x2m s VAL 882 Ca 0.31 -2.11 -0.01 0.00 0.00 0.00 0.00 61.98 60.17 2x2m s VAL 882 Cb -0.10 -3.04 0.04 0.00 0.00 0.00 0.00 36.38 33.28 2x2m s VAL 882 CO 0.23 -0.62 0.26 0.00 0.00 0.00 0.00 175.10 174.97 2x2m n ALA 883 N 4.49 -0.09 -1.63 5.51 0.00 0.91 -1.21 120.51 128.49 2x2m n ALA 883 Ca -0.01 -0.44 -0.45 0.00 0.00 0.00 0.00 53.44 52.54 2x2m n ALA 883 Cb 0.42 0.04 -0.02 0.00 0.00 0.00 0.00 19.45 19.88 2x2m n ALA 883 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2x2m n GLU 884 N -1.51 1.65 -1.06 0.00 1.02 -1.26 -2.08 120.64 117.39 2x2m n GLU 884 Ca 0.04 0.58 -0.02 0.00 -0.02 0.00 0.00 57.16 57.74 2x2m n GLU 884 Cb 0.14 -2.11 -0.01 0.00 -0.02 0.00 0.00 31.44 29.43 2x2m n GLU 884 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2x2m n GLY 885 N 1.69 0.55 3.75 0.62 0.00 -1.26 -3.43 105.19 107.11 2x2m n GLY 885 Ca 0.11 -0.96 -0.26 0.00 0.00 0.00 0.00 46.02 44.91 2x2m n GLY 885 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x2m n ARG 886 N -2.93 -6.51 -3.09 1.61 1.74 -0.88 -4.97 116.66 101.63 2x2m n ARG 886 Ca -0.02 0.70 -0.40 0.00 -0.77 0.00 0.00 57.85 57.36 2x2m n ARG 886 Cb 0.07 -5.64 -0.05 0.00 -1.02 0.00 0.00 32.46 25.82 2x2m n ARG 886 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2x2m s LYS 887 N -6.38 4.32 0.18 5.56 -0.14 -1.10 -4.84 119.74 117.33 2x2m s LYS 887 Ca 0.54 0.73 -0.32 0.00 -1.36 0.00 0.00 55.97 55.57 2x2m s LYS 887 Cb -0.26 -3.51 -0.10 0.00 -1.68 0.00 0.00 37.83 32.27 2x2m s LYS 887 CO 0.78 -0.10 1.59 -1.64 -0.76 0.00 0.00 175.35 175.23 2x2m s MET 888 N 1.40 4.20 -0.19 1.68 -1.94 -1.26 -0.06 119.30 123.12 2x2m s MET 888 Ca 0.32 2.41 0.00 0.00 -1.71 0.00 0.00 55.69 56.72 2x2m s MET 888 Cb -0.16 -3.14 0.05 0.00 2.01 0.00 0.00 34.83 33.59 2x2m s MET 888 CO 0.13 -0.63 -0.07 0.15 -0.01 0.00 0.00 175.02 174.59 2x2m s LYS 889 N 1.09 1.73 0.26 2.03 -0.14 0.10 -4.43 119.74 120.38 2x2m s LYS 889 Ca 0.71 -0.76 -0.30 0.00 -1.36 0.00 0.00 55.97 54.26 2x2m s LYS 889 Cb -0.45 -2.31 -0.10 0.00 -1.68 0.00 0.00 37.83 33.28 2x2m s LYS 889 CO 0.32 -0.47 1.49 0.42 -0.76 0.00 0.00 175.35 176.35 2x2m s ILE 890 N 1.48 2.48 0.25 2.17 1.01 0.06 -0.42 121.20 128.24 2x2m s ILE 890 Ca -0.02 0.40 0.04 0.00 0.00 0.00 0.00 60.65 61.08 2x2m s ILE 890 Cb -0.16 -3.26 -0.01 0.00 0.01 0.00 0.00 42.46 39.03 2x2m s ILE 890 CO -0.08 0.06 0.14 -0.24 0.00 0.00 0.00 174.94 174.83 2x2m n SER 891 N 2.37 0.41 -3.08 3.58 2.88 -0.75 -0.88 113.62 118.16 2x2m n SER 891 Ca 0.08 -2.48 -0.16 0.00 -1.33 0.00 0.00 58.87 54.97 2x2m n SER 891 Cb 0.39 0.90 0.02 0.00 -0.75 0.00 0.00 64.21 64.77 2x2m n SER 891 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2x2m n ASP 892 N -1.88 -7.20 -1.23 -3.46 8.00 -1.26 -4.86 116.55 104.65 2x2m n ASP 892 Ca 0.00 0.25 0.07 0.00 0.71 0.00 0.00 54.79 55.82 2x2m n ASP 892 Cb 0.41 -4.29 0.27 0.00 -0.02 0.00 0.00 41.12 37.50 2x2m n ASP 892 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2x2m n PHE 893 N -0.49 1.07 -0.29 1.24 3.01 -1.26 -4.50 117.46 116.24 2x2m n PHE 893 Ca 0.04 -0.44 0.06 0.00 1.01 0.00 0.00 57.45 58.12 2x2m n PHE 893 Cb 0.53 -0.16 0.21 0.00 -0.01 0.00 0.00 39.48 40.04 2x2m n PHE 893 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 2x2m h GLY 894 N 4.58 1.33 -1.67 1.37 0.00 -1.91 -2.41 103.07 104.37 2x2m h GLY 894 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.07 2x2m h GLY 894 CO 0.15 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.73 2x2m n LEU 895 N -4.85 2.72 -4.76 3.11 4.77 -1.26 -4.58 117.00 112.15 2x2m n LEU 895 Ca 0.16 -1.06 -0.37 0.00 -0.03 0.00 0.00 56.01 54.70 2x2m n LEU 895 Cb 0.39 -0.12 0.01 0.00 -2.33 0.00 0.00 43.42 41.37 2x2m n LEU 895 CO 0.22 0.53 0.86 -0.44 -1.33 0.00 0.00 177.39 177.24 2x2m s SER 896 N -1.72 5.84 0.02 -1.43 0.01 -0.91 -4.72 113.70 110.79 2x2m s SER 896 Ca 0.34 2.40 0.02 0.00 1.31 0.00 0.00 55.95 60.02 2x2m s SER 896 Cb 0.21 -2.61 -0.01 0.00 0.21 0.00 0.00 66.02 63.82 2x2m s SER 896 CO 0.30 -1.15 -0.06 -0.13 0.41 0.00 0.00 173.24 172.61 2x2m s ARG 897 N -2.86 0.44 -0.05 12.44 1.81 -0.05 -4.99 118.95 125.69 2x2m s ARG 897 Ca 0.67 -0.47 -0.30 0.00 -1.72 0.00 0.00 55.73 53.92 2x2m s ARG 897 Cb -0.31 -0.30 -0.03 0.00 -0.45 0.00 0.00 34.95 33.86 2x2m s ARG 897 CO 0.37 0.07 1.23 0.34 -0.68 0.00 0.00 175.30 176.62 2x2m s ASP 898 N -0.89 7.02 -0.19 0.23 2.15 -1.26 -1.22 116.67 122.51 2x2m s ASP 898 Ca -0.05 1.85 0.13 0.00 0.43 0.00 0.00 52.55 54.90 2x2m s ASP 898 Cb -0.06 -2.56 0.40 0.00 -0.30 0.00 0.00 42.92 40.40 2x2m s ASP 898 CO 0.00 -0.61 1.21 1.33 -0.17 0.00 0.00 175.17 176.93 2x2m n VAL 899 N 4.64 2.08 0.17 1.11 0.24 -0.30 -4.87 118.33 121.40 2x2m n VAL 899 Ca 0.11 -3.03 -0.14 0.00 -2.04 0.00 0.00 64.34 59.24 2x2m n VAL 899 Cb 0.46 -0.20 -0.07 0.00 -1.47 0.00 0.00 33.84 32.57 2x2m n VAL 899 CO 0.00 0.00 0.00 0.22 -2.14 0.00 0.00 176.83 174.91 2x2m h TYR 900 N 0.86 -0.84 0.13 6.34 -0.00 -1.91 -1.70 116.97 119.85 2x2m h TYR 900 Ca -0.01 0.01 -0.01 0.00 -0.00 0.00 0.00 58.73 58.73 2x2m h TYR 900 Cb 1.03 0.34 0.00 0.00 -0.00 0.00 0.00 36.73 38.10 2x2m h TYR 900 CO 0.64 -0.43 -0.06 0.93 -0.00 0.00 0.00 178.16 179.23 2x2m h GLU 901 N -0.60 -0.17 -0.00 1.82 3.07 -1.96 -3.38 114.58 113.36 2x2m h GLU 901 Ca 0.00 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.88 2x2m h GLU 901 Cb 0.58 0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.53 2x2m h GLU 901 CO -0.11 -0.11 -0.64 -0.85 -1.40 0.00 0.00 179.01 175.90 2x2m n GLU 902 N -2.51 0.13 -0.88 2.33 0.28 -1.25 -4.95 120.64 113.79 2x2m n GLU 902 Ca -0.02 -0.09 0.00 0.00 -0.16 0.00 0.00 57.16 56.89 2x2m n GLU 902 Cb 0.07 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.44 2x2m n GLU 902 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2x2m n ASP 903 N -1.35 -4.13 0.00 -1.84 8.00 -0.64 -5.13 116.55 111.45 2x2m n ASP 903 Ca 0.06 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.56 2x2m n ASP 903 Cb 0.34 -2.88 0.00 0.00 -0.02 0.00 0.00 41.12 38.56 2x2m n ASP 903 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2x2m n SER 904 N -0.64 0.06 0.00 -2.24 3.41 -1.26 -4.65 113.62 108.29 2x2m n SER 904 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2x2m n SER 904 Cb 0.32 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.27 2x2m n SER 904 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2x2m n VAL 906 N 0.00 0.00 -3.42 -3.33 0.31 -1.26 -4.86 118.33 105.77 2x2m n VAL 906 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 63.92 2x2m n VAL 906 Cb 0.00 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 32.83 2x2m n VAL 906 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 2x2m s LYS 907 N 0.00 3.44 0.07 5.55 2.20 -0.84 -4.99 119.74 125.16 2x2m s LYS 907 Ca 0.00 -0.56 -0.28 0.00 -0.36 0.00 0.00 55.97 54.77 2x2m s LYS 907 Cb 0.00 -3.84 -0.17 0.00 -1.51 0.00 0.00 37.83 32.30 2x2m s LYS 907 CO 0.00 -0.57 1.61 -0.09 -0.36 0.00 0.00 175.35 175.94 2x2m h ARG 908 N 8.52 -0.50 0.00 4.03 2.43 -1.97 -3.45 114.38 123.44 2x2m h ARG 908 Ca -0.29 0.03 -0.21 0.00 -0.81 0.00 0.00 59.98 58.71 2x2m h ARG 908 Cb 1.14 0.11 0.09 0.00 -0.42 0.00 0.00 29.97 30.89 2x2m h ARG 908 CO 0.70 -0.31 0.19 -1.13 -1.51 0.00 0.00 179.97 177.91 2x2m n SER 909 N -5.30 -0.10 -4.74 -3.80 3.41 -1.26 -4.99 113.62 96.85 2x2m n SER 909 Ca -0.11 -1.19 -0.40 0.00 -0.26 0.00 0.00 58.87 56.91 2x2m n SER 909 Cb 0.24 -0.49 -0.05 0.00 -0.26 0.00 0.00 64.21 63.65 2x2m n SER 909 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2x2m s GLN 910 N -4.38 4.63 0.91 4.33 -1.52 -1.26 -5.04 119.66 117.33 2x2m s GLN 910 Ca 0.36 1.30 -0.12 0.00 -1.95 0.00 0.00 55.36 54.95 2x2m s GLN 910 Cb -0.01 -3.36 0.14 0.00 -0.22 0.00 0.00 33.01 29.56 2x2m s GLN 910 CO 0.25 0.28 1.14 0.20 -0.25 0.00 0.00 175.29 176.92 2x2m s GLY 911 N -0.19 1.57 -0.17 3.09 0.00 -1.26 -5.00 107.32 105.36 2x2m s GLY 911 Ca 0.43 -0.52 0.16 0.00 0.00 0.00 0.00 44.72 44.78 2x2m s GLY 911 CO 0.27 0.03 1.53 0.54 0.00 0.00 0.00 173.10 175.48 2x2m n ARG 912 N -3.76 3.62 -3.32 2.90 3.00 -1.26 -4.96 116.66 112.87 2x2m n ARG 912 Ca 0.06 -2.88 -0.38 0.00 -0.01 0.00 0.00 57.85 54.64 2x2m n ARG 912 Cb 0.59 -1.93 -0.06 0.00 0.00 0.00 0.00 32.46 31.06 2x2m n ARG 912 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 2x2m s ILE 913 N -2.54 5.16 0.27 0.55 1.09 -1.26 -5.03 121.20 119.44 2x2m s ILE 913 Ca 0.45 0.96 -0.29 0.00 -1.10 0.00 0.00 60.65 60.68 2x2m s ILE 913 Cb 0.34 -3.81 -0.14 0.00 -1.06 0.00 0.00 42.46 37.79 2x2m s ILE 913 CO 0.13 0.35 1.05 -2.65 -0.10 0.00 0.00 174.94 173.73 2x2m n PRO 914 N 3.46 1.37 0.22 2.79 -0.02 -1.26 -4.84 135.00 136.72 2x2m n PRO 914 Ca -0.08 0.48 0.07 0.00 -2.02 0.00 0.00 63.50 61.95 2x2m n PRO 914 Cb 0.52 -1.88 0.58 0.00 -0.02 0.00 0.00 33.50 32.69 2x2m n PRO 914 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 2x2m h VAL 915 N 2.12 1.05 0.00 -1.45 -1.51 -1.95 -2.30 116.25 112.20 2x2m h VAL 915 Ca -0.40 -0.19 0.00 0.00 -1.23 0.00 0.00 66.70 64.88 2x2m h VAL 915 Cb 1.34 1.03 0.00 0.00 -2.13 0.00 0.00 31.29 31.53 2x2m h VAL 915 CO 0.62 0.06 0.00 0.29 -1.23 0.00 0.00 177.57 177.31 2x2m n LYS 916 N -4.48 0.38 0.00 5.19 5.02 -1.26 -2.35 118.16 120.67 2x2m n LYS 916 Ca -0.02 0.06 0.05 0.00 -2.02 0.00 0.00 58.31 56.38 2x2m n LYS 916 Cb 0.13 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.60 2x2m n LYS 916 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 2x2m n TRP 917 N -1.24 0.00 -2.90 2.13 8.01 -0.87 -4.98 117.44 117.59 2x2m n TRP 917 Ca 0.12 0.00 -0.38 0.00 -1.31 0.00 0.00 57.50 55.93 2x2m n TRP 917 Cb 0.16 0.00 -0.06 0.00 -2.01 0.00 0.00 31.31 29.40 2x2m n TRP 917 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.69 175.04 2x2m s MET 918 N -1.72 4.55 0.61 -0.99 -1.94 -0.99 -4.21 119.30 114.62 2x2m s MET 918 Ca 0.05 1.21 -0.18 0.00 -1.71 0.00 0.00 55.69 55.06 2x2m s MET 918 Cb 0.08 -3.01 -0.03 0.00 2.01 0.00 0.00 34.83 33.88 2x2m s MET 918 CO 0.35 0.42 1.22 0.00 -0.01 0.00 0.00 175.02 176.99 2x2m s ALA 919 N -1.41 2.48 0.26 3.03 0.00 -1.26 -4.81 121.76 120.05 2x2m s ALA 919 Ca 0.43 1.02 -0.02 0.00 0.00 0.00 0.00 51.96 53.39 2x2m s ALA 919 Cb -0.21 -3.46 0.56 0.00 0.00 0.00 0.00 23.12 20.01 2x2m s ALA 919 CO 0.25 -1.29 1.68 0.97 0.00 0.00 0.00 175.76 177.38 2x2m h ILE 920 N 0.71 0.48 0.00 0.00 2.10 -1.94 0.63 117.51 119.49 2x2m h ILE 920 Ca -0.50 -0.10 -0.05 0.00 1.08 0.00 0.00 64.86 65.28 2x2m h ILE 920 Cb 1.30 0.15 -0.01 0.00 -1.09 0.00 0.00 36.82 37.18 2x2m h ILE 920 CO 0.54 0.06 -0.25 -0.33 -1.08 0.00 0.00 178.15 177.09 2x2m h GLU 921 N 0.30 0.00 -0.02 2.19 3.07 -1.89 -0.80 114.58 117.43 2x2m h GLU 921 Ca 0.47 0.00 -0.25 0.00 -0.50 0.00 0.00 59.36 59.08 2x2m h GLU 921 Cb 0.84 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 28.77 2x2m h GLU 921 CO -0.53 0.25 -0.97 0.77 -1.40 0.00 0.00 179.01 177.13 2x2m h SER 922 N 0.00 0.89 -0.01 1.42 0.02 -1.02 -1.10 113.55 113.75 2x2m h SER 922 Ca -0.00 -0.72 0.00 0.00 -0.84 0.00 0.00 61.79 60.23 2x2m h SER 922 Cb 0.52 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 2x2m h SER 922 CO 0.03 1.49 -0.02 -0.07 -1.14 0.00 0.00 176.83 177.13 2x2m h LEU 923 N 0.37 -0.06 0.06 5.07 3.38 -0.72 -2.34 115.31 121.08 2x2m h LEU 923 Ca -0.11 0.01 -0.26 0.00 0.09 0.00 0.00 57.88 57.61 2x2m h LEU 923 Cb 1.62 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 42.38 2x2m h LEU 923 CO 0.19 -0.03 -1.36 -0.26 0.09 0.00 0.00 178.44 177.07 2x2m h PHE 924 N -0.03 0.24 -0.05 1.13 -1.00 -1.24 -3.41 116.94 112.58 2x2m h PHE 924 Ca 0.01 -0.18 0.00 0.00 2.81 0.00 0.00 57.97 60.61 2x2m h PHE 924 Cb 0.05 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 39.60 2x2m h PHE 924 CO -0.10 1.53 0.00 -0.25 -1.61 0.00 0.00 178.31 177.88 2x2m n ASP 925 N -4.10 1.99 -2.05 2.17 8.00 -0.47 -4.99 116.55 117.09 2x2m n ASP 925 Ca -0.28 -1.50 -0.16 0.00 0.71 0.00 0.00 54.79 53.56 2x2m n ASP 925 Cb 0.81 -0.03 0.01 0.00 -0.02 0.00 0.00 41.12 41.89 2x2m n ASP 925 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 2x2m n HIS 926 N 0.57 -1.11 -3.75 1.24 8.25 -0.88 -4.91 115.22 114.64 2x2m n HIS 926 Ca 0.07 0.19 -0.36 0.00 -0.26 0.00 0.00 57.72 57.36 2x2m n HIS 926 Cb 0.28 -3.44 -0.10 0.00 1.12 0.00 0.00 29.99 27.85 2x2m n HIS 926 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2x2m s ILE 927 N -2.90 5.05 -0.14 1.59 1.01 -1.08 -1.99 121.20 122.75 2x2m s ILE 927 Ca 0.11 0.07 0.02 0.00 0.00 0.00 0.00 60.65 60.85 2x2m s ILE 927 Cb -0.05 -3.35 0.00 0.00 0.01 0.00 0.00 42.46 39.07 2x2m s ILE 927 CO 0.14 0.36 -0.19 -0.31 0.00 0.00 0.00 174.94 174.94 2x2m s TYR 928 N 1.08 2.71 0.27 3.97 1.51 -1.26 -3.60 117.35 122.03 2x2m s TYR 928 Ca 0.06 -1.09 0.02 0.00 -1.01 0.00 0.00 57.07 55.05 2x2m s TYR 928 Cb -0.14 -1.83 -0.04 0.00 -0.11 0.00 0.00 41.96 39.85 2x2m s TYR 928 CO 0.04 -0.48 0.17 0.95 -1.11 0.00 0.00 175.55 175.12 2x2m s THR 929 N 0.67 0.18 0.56 -0.71 -4.23 -1.26 -4.44 115.64 106.41 2x2m s THR 929 Ca -0.09 -2.00 0.28 0.00 -1.18 0.00 0.00 61.69 58.70 2x2m s THR 929 Cb -0.16 -2.52 0.41 0.00 1.34 0.00 0.00 72.50 71.57 2x2m s THR 929 CO 0.02 0.00 1.95 0.74 -0.54 0.00 0.00 174.62 176.79 2x2m h THR 930 N 2.35 0.56 0.00 3.99 2.02 -1.90 -0.22 112.91 119.71 2x2m h THR 930 Ca -0.33 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 66.73 2x2m h THR 930 Cb 1.25 0.67 -0.02 0.00 -1.74 0.00 0.00 68.15 68.31 2x2m h THR 930 CO 0.50 0.00 -0.58 1.56 0.37 0.00 0.00 175.52 177.37 2x2m h GLN 931 N 0.00 0.00 -0.13 6.66 1.08 -1.94 -1.49 115.11 119.29 2x2m h GLN 931 Ca 0.26 0.00 -0.14 0.00 -1.45 0.00 0.00 58.65 57.32 2x2m h GLN 931 Cb 1.15 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.57 2x2m h GLN 931 CO -0.00 0.58 -0.51 0.66 -0.95 0.00 0.00 178.83 178.60 2x2m h SER 932 N 0.00 0.38 -0.85 1.46 4.64 -1.41 -2.17 113.55 115.61 2x2m h SER 932 Ca -0.01 -0.19 -0.02 0.00 -0.47 0.00 0.00 61.79 61.10 2x2m h SER 932 Cb 1.24 -0.11 -0.04 0.00 -0.31 0.00 0.00 62.40 63.18 2x2m h SER 932 CO 0.08 0.83 0.46 0.44 -0.87 0.00 0.00 176.83 177.77 2x2m h ASP 933 N 0.28 1.06 -0.55 4.97 3.45 -1.24 -1.65 116.42 122.74 2x2m h ASP 933 Ca 0.01 -0.09 -0.02 0.00 0.43 0.00 0.00 57.03 57.36 2x2m h ASP 933 Cb 1.00 -0.27 -0.03 0.00 -0.56 0.00 0.00 39.33 39.47 2x2m h ASP 933 CO 0.09 0.86 0.27 0.58 -1.57 0.00 0.00 179.24 179.46 2x2m h VAL 934 N 1.19 1.20 -0.68 -1.35 2.07 -1.04 0.19 116.25 117.84 2x2m h VAL 934 Ca 0.30 -0.56 0.11 0.00 0.82 0.00 0.00 66.70 67.36 2x2m h VAL 934 Cb 0.03 0.55 -0.08 0.00 -1.52 0.00 0.00 31.29 30.28 2x2m h VAL 934 CO -0.05 0.23 0.29 -0.25 0.02 0.00 0.00 177.57 177.81 2x2m h TRP 935 N 0.75 0.50 -0.37 1.57 2.91 -0.97 -0.21 115.95 120.12 2x2m h TRP 935 Ca 0.19 0.03 -0.14 0.00 1.13 0.00 0.00 58.89 60.11 2x2m h TRP 935 Cb 0.11 -0.12 -0.01 0.00 -0.51 0.00 0.00 29.16 28.63 2x2m h TRP 935 CO -0.00 0.13 -0.31 0.77 -1.03 0.00 0.00 178.44 177.99 2x2m h SER 936 N 0.48 0.86 -0.81 2.65 0.02 -0.70 -2.19 113.55 113.86 2x2m h SER 936 Ca 0.35 -0.35 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 2x2m h SER 936 Cb 0.45 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.71 2x2m h SER 936 CO -0.32 1.10 0.46 0.15 -1.14 0.00 0.00 176.83 177.07 2x2m h PHE 937 N 0.69 1.11 -0.65 3.45 3.57 -0.08 0.21 116.94 125.24 2x2m h PHE 937 Ca 0.08 -0.02 0.11 0.00 3.53 0.00 0.00 57.97 61.67 2x2m h PHE 937 Cb 0.86 -0.36 -0.08 0.00 2.79 0.00 0.00 35.95 39.16 2x2m h PHE 937 CO 0.05 0.76 0.23 0.78 -2.23 0.00 0.00 178.31 177.91 2x2m h GLY 938 N 1.17 0.92 1.22 2.40 0.00 -0.45 0.17 103.07 108.49 2x2m h GLY 938 Ca 0.29 -0.12 -0.11 0.00 0.00 0.00 0.00 47.33 47.40 2x2m h GLY 938 CO -0.05 -0.05 -0.13 -2.08 0.00 0.00 0.00 176.54 174.23 2x2m h VAL 939 N 0.40 1.27 -0.70 4.60 2.07 -0.55 -2.53 116.25 120.80 2x2m h VAL 939 Ca 0.34 -1.25 -0.04 0.00 0.82 0.00 0.00 66.70 66.56 2x2m h VAL 939 Cb 0.46 1.03 -0.03 0.00 -1.52 0.00 0.00 31.29 31.23 2x2m h VAL 939 CO -0.35 0.43 0.26 0.25 0.02 0.00 0.00 177.57 178.19 2x2m h LEU 940 N 0.81 0.98 -0.44 2.57 5.85 0.09 -1.35 115.31 123.81 2x2m h LEU 940 Ca 0.13 -0.18 0.08 0.00 0.84 0.00 0.00 57.88 58.74 2x2m h LEU 940 Cb 0.66 -0.25 -0.07 0.00 0.37 0.00 0.00 40.66 41.37 2x2m h LEU 940 CO 0.05 0.90 0.05 -0.07 -0.34 0.00 0.00 178.44 179.02 2x2m h LEU 941 N 1.00 -0.08 -0.62 2.25 3.38 -0.39 0.87 115.31 121.72 2x2m h LEU 941 Ca 0.23 0.09 0.10 0.00 0.09 0.00 0.00 57.88 58.39 2x2m h LEU 941 Cb 0.24 0.14 -0.07 0.00 0.09 0.00 0.00 40.66 41.06 2x2m h LEU 941 CO -0.02 -0.01 0.24 -0.25 0.09 0.00 0.00 178.44 178.50 2x2m h TRP 942 N 0.17 0.42 -0.75 1.13 7.01 -1.02 -0.46 115.95 122.45 2x2m h TRP 942 Ca 0.22 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.25 2x2m h TRP 942 Cb 0.30 -0.09 -0.04 0.00 -2.10 0.00 0.00 29.16 27.23 2x2m h TRP 942 CO -0.25 0.11 0.46 0.93 -2.79 0.00 0.00 178.44 176.90 2x2m h GLU 943 N 0.43 1.01 0.28 2.65 5.08 0.06 -2.11 114.58 121.97 2x2m h GLU 943 Ca 0.32 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.58 2x2m h GLU 943 Cb 0.39 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.43 2x2m h GLU 943 CO -0.31 0.71 -0.14 0.82 -1.00 0.00 0.00 179.01 179.09 2x2m h ILE 944 N 1.02 0.74 0.00 3.13 2.04 -0.01 0.24 117.51 124.67 2x2m h ILE 944 Ca 0.27 -0.14 -0.04 0.00 1.00 0.00 0.00 64.86 65.94 2x2m h ILE 944 Cb -0.05 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 2x2m h ILE 944 CO -0.05 0.03 -0.19 0.58 0.00 0.00 0.00 178.15 178.52 2x2m h VAL 945 N -0.45 0.98 -0.51 1.67 2.07 -0.88 -1.02 116.25 118.11 2x2m h VAL 945 Ca -0.04 -0.70 0.00 0.00 0.82 0.00 0.00 66.70 66.78 2x2m h VAL 945 Cb 0.34 1.39 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 2x2m h VAL 945 CO 0.06 0.19 0.00 0.35 0.02 0.00 0.00 177.57 178.19 2x2m n THR 946 N -4.08 0.67 -3.51 2.57 -2.24 -0.82 -4.92 114.28 101.95 2x2m n THR 946 Ca -0.02 -0.72 -0.20 0.00 -2.27 0.00 0.00 64.05 60.84 2x2m n THR 946 Cb 0.27 0.47 0.08 0.00 -2.10 0.00 0.00 70.33 69.05 2x2m n THR 946 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2x2m n LEU 947 N 1.14 -3.76 -0.34 3.22 4.77 -0.39 -3.38 117.00 118.26 2x2m n LEU 947 Ca 0.19 -0.61 0.00 0.00 -0.03 0.00 0.00 56.01 55.56 2x2m n LEU 947 Cb 0.49 -3.07 0.00 0.00 -2.33 0.00 0.00 43.42 38.51 2x2m n LEU 947 CO 0.13 0.47 0.00 0.61 -1.33 0.00 0.00 177.39 177.28 2x2m n GLY 948 N -1.45 0.96 3.76 -0.72 0.00 0.80 -3.50 105.19 105.03 2x2m n GLY 948 Ca -0.19 -0.51 -0.31 0.00 0.00 0.00 0.00 46.02 45.02 2x2m n GLY 948 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2x2m s GLY 949 N -2.73 1.66 -0.26 -0.02 0.00 -1.22 -4.90 107.32 99.85 2x2m s GLY 949 Ca 0.00 0.13 -0.16 0.00 0.00 0.00 0.00 44.72 44.69 2x2m s GLY 949 CO 0.00 0.51 0.44 -1.31 0.00 0.00 0.00 173.10 172.75 2x2m s ASN 950 N -3.48 6.36 0.77 1.64 0.01 -1.26 -4.77 114.94 114.21 2x2m s ASN 950 Ca 0.61 0.42 -0.14 0.00 -0.71 0.00 0.00 52.86 53.05 2x2m s ASN 950 Cb -0.17 -2.25 0.06 0.00 0.41 0.00 0.00 41.25 39.31 2x2m s ASN 950 CO 0.56 -0.22 1.21 -2.84 -1.51 0.00 0.00 177.10 174.30 2x2m s PRO 951 N 2.10 1.90 -1.25 -0.60 0.02 -1.26 -3.35 135.00 132.56 2x2m s PRO 951 Ca 0.18 1.76 -0.32 0.00 0.02 0.00 0.00 61.00 62.65 2x2m s PRO 951 Cb -0.16 -1.81 0.04 0.00 0.02 0.00 0.00 34.50 32.60 2x2m s PRO 951 CO 0.09 -2.01 0.62 0.66 -0.33 0.00 0.00 177.00 176.02 2x2m n TYR 952 N -2.99 -1.37 -1.90 6.54 4.01 -1.26 -4.79 117.16 115.39 2x2m n TYR 952 Ca 0.13 0.12 -0.41 0.00 -0.16 0.00 0.00 57.90 57.58 2x2m n TYR 952 Cb 0.50 -2.79 -0.02 0.00 -0.31 0.00 0.00 39.34 36.73 2x2m n TYR 952 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 2x2m s PRO 953 N -7.45 4.20 0.00 -0.72 0.04 -1.21 -1.96 135.00 127.89 2x2m s PRO 953 Ca 0.45 2.44 0.00 0.00 0.04 0.00 0.00 61.00 63.93 2x2m s PRO 953 Cb -0.25 -3.05 0.00 0.00 0.04 0.00 0.00 34.50 31.24 2x2m s PRO 953 CO 0.98 -0.50 0.00 0.41 0.04 0.00 0.00 177.00 177.93 2x2m n GLY 954 N 1.80 0.19 3.60 0.56 0.00 -1.26 -4.99 105.19 105.10 2x2m n GLY 954 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 2x2m n GLY 954 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2x2m s ILE 955 N -1.42 4.98 0.30 -0.61 1.01 -0.83 -5.09 121.20 119.53 2x2m s ILE 955 Ca 0.00 0.05 -0.29 0.00 0.00 0.00 0.00 60.65 60.41 2x2m s ILE 955 Cb 0.00 -3.31 -0.10 0.00 0.01 0.00 0.00 42.46 39.07 2x2m s ILE 955 CO 0.00 0.36 1.12 -2.84 0.00 0.00 0.00 174.94 173.58 2x2m s PRO 956 N 1.06 4.56 0.35 2.79 0.02 -1.26 -4.94 135.00 137.59 2x2m s PRO 956 Ca 0.06 1.83 0.15 0.00 0.02 0.00 0.00 61.00 63.05 2x2m s PRO 956 Cb -0.14 -3.12 1.06 0.00 0.02 0.00 0.00 34.50 32.33 2x2m s PRO 956 CO 0.04 0.13 1.69 -1.00 -0.33 0.00 0.00 177.00 177.53 2x2m h PRO 957 N 3.64 0.38 0.00 5.54 0.13 -1.98 -0.50 132.00 139.20 2x2m h PRO 957 Ca -0.47 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 64.61 2x2m h PRO 957 Cb 1.21 -0.09 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 2x2m h PRO 957 CO 0.66 0.25 -0.13 1.05 -0.23 0.00 0.00 178.00 179.60 2x2m h GLU 958 N 0.39 0.00 0.00 0.86 9.09 -2.02 -2.46 114.58 120.43 2x2m h GLU 958 Ca 0.70 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.11 2x2m h GLU 958 Cb 1.60 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.70 2x2m h GLU 958 CO -0.51 0.13 0.00 0.54 0.05 0.00 0.00 179.01 179.22 2x2m n ARG 959 N -3.55 0.16 -0.15 1.06 3.00 -0.20 -3.91 116.66 113.08 2x2m n ARG 959 Ca -0.01 0.24 -0.10 0.00 -0.01 0.00 0.00 57.85 57.96 2x2m n ARG 959 Cb 0.27 -1.73 -0.01 0.00 0.00 0.00 0.00 32.46 30.99 2x2m n ARG 959 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 2x2m h LEU 960 N 0.00 0.79 -0.68 0.55 4.07 -1.54 -2.03 115.31 116.47 2x2m h LEU 960 Ca 0.00 -0.32 0.06 0.00 0.08 0.00 0.00 57.88 57.70 2x2m h LEU 960 Cb 0.53 -0.21 -0.09 0.00 1.08 0.00 0.00 40.66 41.97 2x2m h LEU 960 CO 0.00 0.92 -0.46 -0.26 -1.08 0.00 0.00 178.44 177.56 2x2m h PHE 961 N 0.64 -1.47 -0.23 1.13 -1.00 -1.76 0.12 116.94 114.37 2x2m h PHE 961 Ca 0.12 0.09 -0.14 0.00 2.81 0.00 0.00 57.97 60.85 2x2m h PHE 961 Cb 0.53 0.73 -0.01 0.00 3.61 0.00 0.00 35.95 40.82 2x2m h PHE 961 CO 0.04 -0.31 -0.45 -0.97 -1.61 0.00 0.00 178.31 175.01 2x2m h ASN 962 N -0.07 0.62 -0.63 2.17 -0.73 -1.77 -1.85 115.58 113.32 2x2m h ASN 962 Ca 0.11 -0.29 -0.08 0.00 1.87 0.00 0.00 56.30 57.91 2x2m h ASN 962 Cb 0.36 -0.18 -0.02 0.00 0.27 0.00 0.00 38.32 38.75 2x2m h ASN 962 CO -0.68 0.98 0.09 0.25 -0.37 0.00 0.00 177.43 177.70 2x2m h LEU 963 N 0.47 1.02 -0.10 0.34 5.85 -0.84 -2.25 115.31 119.79 2x2m h LEU 963 Ca 0.03 -0.27 -0.09 0.00 0.84 0.00 0.00 57.88 58.39 2x2m h LEU 963 Cb 0.97 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.73 2x2m h LEU 963 CO 0.09 1.03 -0.30 -0.07 -0.34 0.00 0.00 178.44 178.85 2x2m h LEU 964 N 0.97 0.43 -1.26 2.25 4.07 -0.59 -0.71 115.31 120.46 2x2m h LEU 964 Ca 0.19 -0.60 -0.07 0.00 0.08 0.00 0.00 57.88 57.47 2x2m h LEU 964 Cb 0.46 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 42.06 2x2m h LEU 964 CO 0.02 0.96 -0.35 0.07 -1.08 0.00 0.00 178.44 178.06 2x2m h LYS 965 N -0.07 0.00 -0.14 1.13 2.10 -1.26 -0.37 116.57 117.95 2x2m h LYS 965 Ca -0.01 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 2x2m h LYS 965 Cb 0.92 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.25 2x2m h LYS 965 CO 0.06 0.35 0.00 0.25 -2.00 0.00 0.00 179.45 178.11 2x2m n THR 966 N -3.90 0.19 -0.54 0.07 -2.24 -0.85 -4.92 114.28 102.08 2x2m n THR 966 Ca -0.02 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 2x2m n THR 966 Cb 0.41 0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.75 2x2m n THR 966 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2x2m n GLY 967 N 0.90 0.74 3.80 3.38 0.00 -0.15 -5.06 105.19 108.80 2x2m n GLY 967 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 2x2m n GLY 967 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2x2m s HIS 968 N -2.30 3.04 0.06 1.61 3.76 -0.28 -5.01 115.29 116.17 2x2m s HIS 968 Ca 0.00 1.58 -0.09 0.00 -0.15 0.00 0.00 55.06 56.39 2x2m s HIS 968 Cb 0.00 -3.03 0.00 0.00 1.11 0.00 0.00 32.58 30.66 2x2m s HIS 968 CO 0.00 -0.75 0.20 1.03 -0.85 0.00 0.00 174.74 174.37 2x2m s ARG 969 N -3.29 0.76 0.30 1.40 1.81 -1.26 -4.43 118.95 114.24 2x2m s ARG 969 Ca 0.66 -0.76 -0.30 0.00 -1.72 0.00 0.00 55.73 53.62 2x2m s ARG 969 Cb -0.15 0.31 -0.11 0.00 -0.45 0.00 0.00 34.95 34.55 2x2m s ARG 969 CO 0.20 -0.23 1.60 -1.33 -0.68 0.00 0.00 175.30 174.86 2x2m n MET 970 N 0.37 2.74 -1.19 3.54 2.81 -1.26 -4.98 117.12 119.14 2x2m n MET 970 Ca -0.17 0.97 -0.31 0.00 -1.81 0.00 0.00 57.70 56.38 2x2m n MET 970 Cb 0.60 -2.76 0.10 0.00 -0.71 0.00 0.00 33.22 30.45 2x2m n MET 970 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 2x2m s GLU 971 N -0.62 2.08 -0.06 0.03 2.12 -1.26 -4.91 118.70 116.08 2x2m s GLU 971 Ca 0.63 1.25 -0.30 0.00 0.36 0.00 0.00 54.97 56.91 2x2m s GLU 971 Cb -0.49 -1.87 -0.09 0.00 0.26 0.00 0.00 34.13 31.95 2x2m s GLU 971 CO 0.49 -1.79 2.03 -2.13 -0.54 0.00 0.00 175.26 173.33 2x2m n ARG 972 N -3.57 2.48 -1.27 4.30 0.63 -1.26 -4.97 116.66 113.00 2x2m n ARG 972 Ca 0.10 0.86 -0.32 0.00 -0.92 0.00 0.00 57.85 57.57 2x2m n ARG 972 Cb 0.53 -3.00 0.10 0.00 0.45 0.00 0.00 32.46 30.54 2x2m n ARG 972 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 2x2m s PRO 973 N 4.96 2.14 0.67 -0.14 0.04 -1.26 -5.00 135.00 136.40 2x2m s PRO 973 Ca 0.93 1.32 -0.17 0.00 0.04 0.00 0.00 61.00 63.12 2x2m s PRO 973 Cb -0.46 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.21 2x2m s PRO 973 CO 0.42 -1.75 1.25 -0.51 0.04 0.00 0.00 177.00 176.44 2x2m s ASP 974 N -3.01 4.54 -1.15 6.66 1.01 -1.26 -3.57 116.67 119.88 2x2m s ASP 974 Ca 0.64 2.48 -0.05 0.00 0.71 0.00 0.00 52.55 56.33 2x2m s ASP 974 Cb -0.20 -2.60 0.01 0.00 1.01 0.00 0.00 42.92 41.14 2x2m s ASP 974 CO 0.53 -2.04 0.68 0.59 0.21 0.00 0.00 175.17 175.14 2x2m n ASN 975 N -2.16 -5.28 -4.15 0.27 4.13 -1.26 -4.88 115.26 101.93 2x2m n ASN 975 Ca 0.15 -0.31 -0.27 0.00 1.68 0.00 0.00 54.58 55.83 2x2m n ASN 975 Cb 0.49 -4.01 -0.16 0.00 -1.54 0.00 0.00 39.78 34.56 2x2m n ASN 975 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2x2m s SER 977 N -0.01 2.88 0.15 0.00 1.04 -1.26 -4.92 113.70 111.59 2x2m s SER 977 Ca -0.03 1.47 -0.10 0.00 0.48 0.00 0.00 55.95 57.77 2x2m s SER 977 Cb -0.11 -2.15 -0.02 0.00 0.10 0.00 0.00 66.02 63.84 2x2m s SER 977 CO 0.02 -3.01 1.51 1.05 0.98 0.00 0.00 173.24 173.79 2x2m h GLU 978 N -1.80 0.97 -0.48 4.02 9.09 -2.00 -2.98 114.58 121.40 2x2m h GLU 978 Ca -0.52 -0.47 -0.12 0.00 0.05 0.00 0.00 59.36 58.30 2x2m h GLU 978 Cb 1.30 -0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.38 2x2m h GLU 978 CO 0.54 1.14 -0.17 1.05 0.05 0.00 0.00 179.01 181.61 2x2m h GLU 979 N 0.81 0.96 0.55 1.06 9.09 -1.99 -0.36 114.58 124.71 2x2m h GLU 979 Ca 0.08 -0.40 -0.03 0.00 0.05 0.00 0.00 59.36 59.07 2x2m h GLU 979 Cb 0.91 -0.04 0.00 0.00 -1.65 0.00 0.00 28.75 27.97 2x2m h GLU 979 CO 0.08 1.06 -0.28 1.98 0.05 0.00 0.00 179.01 181.91 2x2m h MET 980 N 0.81 -0.73 -0.55 1.06 -1.53 -1.94 -1.43 114.93 110.62 2x2m h MET 980 Ca 0.11 0.05 0.07 0.00 -3.44 0.00 0.00 59.70 56.49 2x2m h MET 980 Cb 0.74 0.17 -0.06 0.00 -0.55 0.00 0.00 31.60 31.90 2x2m h MET 980 CO 0.06 -0.49 0.23 -0.92 0.14 0.00 0.00 176.91 175.93 2x2m h TYR 981 N -0.76 0.40 -0.99 1.39 3.20 -1.41 -0.71 116.97 118.09 2x2m h TYR 981 Ca -0.07 0.03 0.15 0.00 3.14 0.00 0.00 58.73 61.97 2x2m h TYR 981 Cb 0.59 -0.10 -0.09 0.00 1.54 0.00 0.00 36.73 38.67 2x2m h TYR 981 CO -0.05 0.15 0.62 0.00 -1.64 0.00 0.00 178.16 177.24 2x2m h ARG 982 N 0.43 0.84 -0.74 1.82 -0.00 -0.75 0.19 114.38 116.17 2x2m h ARG 982 Ca 0.26 -0.05 -0.06 0.00 -0.50 0.00 0.00 59.98 59.63 2x2m h ARG 982 Cb 0.26 -0.19 -0.03 0.00 0.00 0.00 0.00 29.97 30.01 2x2m h ARG 982 CO -0.24 0.56 0.21 1.25 0.00 0.00 0.00 179.97 181.75 2x2m h LEU 983 N 0.87 1.09 -0.05 3.04 5.85 -0.05 -2.22 115.31 123.85 2x2m h LEU 983 Ca 0.52 -0.22 -0.00 0.00 0.84 0.00 0.00 57.88 59.02 2x2m h LEU 983 Cb 0.69 -0.29 -0.00 0.00 0.37 0.00 0.00 40.66 41.43 2x2m h LEU 983 CO -0.30 1.02 0.01 0.24 -0.34 0.00 0.00 178.44 179.07 2x2m h MET 984 N 1.10 0.07 -0.74 1.25 2.86 0.02 -1.85 114.93 117.65 2x2m h MET 984 Ca 0.24 -0.02 0.03 0.00 -2.06 0.00 0.00 59.70 57.89 2x2m h MET 984 Cb 0.33 -0.01 -0.05 0.00 0.06 0.00 0.00 31.60 31.94 2x2m h MET 984 CO -0.00 0.26 0.46 -0.07 1.06 0.00 0.00 176.91 178.62 2x2m h LEU 985 N -0.13 0.76 -1.40 1.22 3.38 -1.17 -1.41 115.31 116.56 2x2m h LEU 985 Ca 0.01 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 2x2m h LEU 985 Cb 0.22 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 2x2m h LEU 985 CO -0.00 0.52 -0.01 -0.61 0.09 0.00 0.00 178.44 178.43 2x2m h GLN 986 N 0.90 0.38 -0.07 1.13 5.75 -1.28 0.49 115.11 122.41 2x2m h GLN 986 Ca 0.30 -0.07 -0.03 0.00 -0.15 0.00 0.00 58.65 58.71 2x2m h GLN 986 Cb 0.03 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 28.52 2x2m h GLN 986 CO -0.12 0.42 -0.08 0.00 -2.65 0.00 0.00 178.83 176.40 2x2m n TRP 988 N -4.39 1.00 -1.61 0.00 8.01 0.17 -3.84 117.44 116.78 2x2m n TRP 988 Ca -0.02 -0.47 -0.44 0.00 -1.31 0.00 0.00 57.50 55.25 2x2m n TRP 988 Cb 0.19 -0.04 -0.02 0.00 -2.01 0.00 0.00 31.31 29.44 2x2m n TRP 988 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 2x2m n LYS 989 N 1.42 1.52 -0.32 -0.99 4.76 -0.72 -4.86 118.16 118.97 2x2m n LYS 989 Ca 0.23 0.53 0.10 0.00 -2.87 0.00 0.00 58.31 56.30 2x2m n LYS 989 Cb 0.62 -1.96 0.31 0.00 -1.84 0.00 0.00 35.03 32.16 2x2m n LYS 989 CO 0.00 0.00 0.00 0.37 -1.37 0.00 0.00 177.40 176.40 2x2m h GLN 990 N 2.25 0.82 -4.88 1.97 -0.00 -1.93 -3.41 115.11 109.94 2x2m h GLN 990 Ca -0.41 -0.05 -0.65 0.00 -0.00 0.00 0.00 58.65 57.54 2x2m h GLN 990 Cb 1.33 -0.18 -0.17 0.00 0.00 0.00 0.00 27.48 28.45 2x2m h GLN 990 CO 0.62 0.54 -0.51 -1.21 0.00 0.00 0.00 178.83 178.27 2x2m s GLU 991 N -5.82 3.88 0.27 1.69 8.01 -1.26 -4.86 118.70 120.61 2x2m s GLU 991 Ca -0.11 -0.36 -0.01 0.00 0.01 0.00 0.00 54.97 54.50 2x2m s GLU 991 Cb 0.22 -3.68 0.58 0.00 -4.31 0.00 0.00 34.13 26.94 2x2m s GLU 991 CO 0.80 -0.22 1.72 -1.35 0.01 0.00 0.00 175.26 176.22 2x2m h PRO 992 N 8.39 0.45 0.00 0.39 0.11 -1.96 0.11 132.00 139.49 2x2m h PRO 992 Ca -0.34 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.73 2x2m h PRO 992 Cb 1.19 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 2x2m h PRO 992 CO 0.56 0.30 -0.04 -0.44 -0.21 0.00 0.00 178.00 178.17 2x2m h ASP 993 N 0.46 0.00 0.70 -2.05 3.32 -1.96 -1.67 116.42 115.23 2x2m h ASP 993 Ca 0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.53 2x2m h ASP 993 Cb 0.80 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.35 2x2m h ASP 993 CO -0.45 0.04 -0.04 0.29 -1.72 0.00 0.00 179.24 177.36 2x2m n LYS 994 N -3.21 0.28 -3.01 3.56 4.01 0.38 -4.86 118.16 115.32 2x2m n LYS 994 Ca -0.01 -0.03 -0.35 0.00 -0.51 0.00 0.00 58.31 57.41 2x2m n LYS 994 Cb 0.26 -1.50 -0.06 0.00 -0.51 0.00 0.00 35.03 33.21 2x2m n LYS 994 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 2x2m s ARG 995 N -2.74 4.29 0.75 1.97 0.52 -0.63 -4.96 118.95 118.15 2x2m s ARG 995 Ca 0.22 0.97 -0.14 0.00 -0.52 0.00 0.00 55.73 56.26 2x2m s ARG 995 Cb 0.20 -2.73 0.05 0.00 0.52 0.00 0.00 34.95 32.99 2x2m s ARG 995 CO 0.50 0.29 1.19 -1.25 0.02 0.00 0.00 175.30 176.05 2x2m s PRO 996 N -2.26 2.04 0.39 3.54 0.04 -1.26 -5.02 135.00 132.47 2x2m s PRO 996 Ca 0.48 1.68 -0.01 0.00 0.04 0.00 0.00 61.00 63.19 2x2m s PRO 996 Cb -0.15 -1.83 -0.03 0.00 0.04 0.00 0.00 34.50 32.52 2x2m s PRO 996 CO 0.20 -1.89 0.62 0.14 0.04 0.00 0.00 177.00 176.11 2x2m s VAL 997 N -2.13 4.99 0.17 -0.36 -7.23 -1.26 -4.95 120.40 109.63 2x2m s VAL 997 Ca 0.72 -0.29 -0.17 0.00 -1.81 0.00 0.00 61.98 60.44 2x2m s VAL 997 Cb -0.27 -3.84 0.09 0.00 0.56 0.00 0.00 36.38 32.92 2x2m s VAL 997 CO 0.47 -0.63 1.67 -0.26 -0.31 0.00 0.00 175.10 176.05 2x2m h PHE 998 N 0.59 -0.20 -0.95 2.82 0.04 -1.93 0.14 116.94 117.45 2x2m h PHE 998 Ca -0.49 0.04 0.29 0.00 2.80 0.00 0.00 57.97 60.61 2x2m h PHE 998 Cb 1.22 0.15 -0.16 0.00 2.20 0.00 0.00 35.95 39.36 2x2m h PHE 998 CO 0.53 -0.17 0.32 0.00 -0.60 0.00 0.00 178.31 178.39 2x2m h ALA 999 N 1.40 1.55 0.00 2.45 0.00 -1.94 -0.02 119.26 122.70 2x2m h ALA 999 Ca 0.19 0.24 -0.15 0.00 0.00 0.00 0.00 54.91 55.20 2x2m h ALA 999 Cb 0.29 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 2x2m h ALA 999 CO -0.41 -0.59 -0.70 0.38 0.00 0.00 0.00 179.25 177.93 2x2m h ASP 1000N 0.17 0.00 -0.31 0.00 -0.00 -1.37 -2.94 116.42 111.96 2x2m h ASP 1000Ca 0.65 0.00 -0.06 0.00 -0.00 0.00 0.00 57.03 57.62 2x2m h ASP 1000Cb 1.44 0.00 -0.01 0.00 -0.00 0.00 0.00 39.33 40.76 2x2m h ASP 1000CO -0.71 0.70 -0.04 0.40 -0.00 0.00 0.00 179.24 179.59 2x2m h ILE 1001N 0.00 1.27 -0.95 4.15 2.04 -0.44 0.73 117.51 124.32 2x2m h ILE 1001Ca -0.01 -1.04 0.05 0.00 1.00 0.00 0.00 64.86 64.86 2x2m h ILE 1001Cb 1.32 1.32 -0.06 0.00 -0.74 0.00 0.00 36.82 38.66 2x2m h ILE 1001CO 0.09 0.34 0.62 0.28 0.00 0.00 0.00 178.15 179.48 2x2m h SER 1002N 0.36 0.99 0.44 1.72 0.02 -1.32 0.57 113.55 116.34 2x2m h SER 1002Ca 0.08 -0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.01 2x2m h SER 1002Cb 0.51 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.84 2x2m h SER 1002CO 0.02 0.65 -0.21 0.11 -1.14 0.00 0.00 176.83 176.27 2x2m h LYS 1003N 1.14 -0.57 -0.91 3.45 6.56 -1.37 -0.82 116.57 124.04 2x2m h LYS 1003Ca 0.40 0.04 0.18 0.00 -1.06 0.00 0.00 60.65 60.20 2x2m h LYS 1003Cb 0.11 0.13 -0.07 0.00 -0.57 0.00 0.00 32.23 31.83 2x2m h LYS 1003CO -0.14 -0.28 0.59 -0.44 -2.06 0.00 0.00 179.45 177.12 2x2m h ASP 1004N -0.83 0.57 0.05 0.86 3.32 -0.57 0.19 116.42 120.00 2x2m h ASP 1004Ca -0.06 0.05 -0.17 0.00 0.02 0.00 0.00 57.03 56.87 2x2m h ASP 1004Cb 0.56 -0.06 0.02 0.00 0.22 0.00 0.00 39.33 40.07 2x2m h ASP 1004CO 0.10 0.25 -0.71 -0.07 -1.72 0.00 0.00 179.24 177.09 2x2m h LEU 1005N 0.58 0.54 -1.02 1.55 3.38 -0.86 -2.38 115.31 117.10 2x2m h LEU 1005Ca 0.48 -0.82 0.06 0.00 0.09 0.00 0.00 57.88 57.69 2x2m h LEU 1005Cb 0.94 -0.17 -0.07 0.00 0.09 0.00 0.00 40.66 41.46 2x2m h LEU 1005CO -0.22 1.30 0.65 -0.08 0.09 0.00 0.00 178.44 180.17 2x2m h GLU 1006N -0.14 1.14 -0.49 1.13 4.57 -0.45 0.49 114.58 120.83 2x2m h GLU 1006Ca -0.10 -0.07 0.01 0.00 -1.18 0.00 0.00 59.36 58.02 2x2m h GLU 1006Cb 1.45 -0.26 -0.03 0.00 -0.16 0.00 0.00 28.75 29.75 2x2m h GLU 1006CO 0.14 0.76 0.31 0.87 -1.18 0.00 0.00 179.01 179.90 2x2m h LYS 1007N 1.18 0.60 -0.42 1.92 1.57 -0.62 0.17 116.57 120.97 2x2m h LYS 1007Ca 0.43 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 59.16 2x2m h LYS 1007Cb 0.15 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 2x2m h LYS 1007CO -0.17 0.40 0.23 0.52 -0.57 0.00 0.00 179.45 179.86 2x2m h MET 1008N 0.62 0.59 -0.87 3.15 2.86 -0.77 0.88 114.93 121.38 2x2m h MET 1008Ca 0.19 -0.07 0.08 0.00 -2.06 0.00 0.00 59.70 57.84 2x2m h MET 1008Cb -0.03 -0.11 -0.11 0.00 0.06 0.00 0.00 31.60 31.41 2x2m h MET 1008CO -0.07 0.48 -0.54 1.98 1.06 0.00 0.00 176.91 179.82 2x2m h MET 1009N 0.54 -0.04 -0.25 1.72 -1.53 0.22 -3.07 114.93 112.53 2x2m h MET 1009Ca 0.15 0.00 -0.17 0.00 -3.44 0.00 0.00 59.70 56.24 2x2m h MET 1009Cb 0.06 0.01 -0.00 0.00 -0.55 0.00 0.00 31.60 31.12 2x2m h MET 1009CO -0.02 -0.02 -0.53 0.28 0.14 0.00 0.00 176.91 176.75 2x2m h VAL 1010N -0.04 1.30 -0.01 -5.77 2.07 -0.47 -3.51 116.25 109.82 2x2m h VAL 1010Ca 0.14 -1.74 0.00 0.00 0.82 0.00 0.00 66.70 65.92 2x2m h VAL 1010Cb 0.40 1.67 0.00 0.00 -1.52 0.00 0.00 31.29 31.84 2x2m h VAL 1010CO -0.84 0.56 0.00 0.29 0.02 0.00 0.00 177.57 177.60