#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d7i n GLY 8 N 0.00 0.10 0.35 1.37 0.00 -1.26 -4.81 105.19 100.93 3d7i n GLY 8 Ca 0.00 -1.78 -0.04 0.00 0.00 0.00 0.00 46.02 44.20 3d7i n GLY 8 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3d7i h GLU 9 N 0.00 1.20 0.00 1.61 9.09 -2.05 -2.26 114.58 122.17 3d7i h GLU 9 Ca 0.00 -0.18 0.00 0.00 0.05 0.00 0.00 59.36 59.23 3d7i h GLU 9 Cb 0.00 -0.21 0.00 0.00 -1.65 0.00 0.00 28.75 26.89 3d7i h GLU 9 CO 0.00 0.93 0.00 0.41 0.05 0.00 0.00 179.01 180.40 3d7i n GLY 10 N -1.01 0.00 0.93 1.06 0.00 -1.26 -1.63 105.19 103.29 3d7i n GLY 10 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 3d7i n GLY 10 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3d7i n LYS 12 N 0.36 0.00 -0.21 1.61 5.02 -0.85 -1.93 118.16 122.16 3d7i n LYS 12 Ca 0.00 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.21 3d7i n LYS 12 Cb 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 35.03 35.04 3d7i n LYS 12 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3d7i h VAL 13 N 0.00 1.24 -0.38 -0.18 2.07 -1.60 -1.05 116.25 116.34 3d7i h VAL 13 Ca 0.00 -0.83 -0.04 0.00 0.82 0.00 0.00 66.70 66.64 3d7i h VAL 13 Cb 0.00 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 3d7i h VAL 13 CO 0.00 0.31 0.07 0.58 0.02 0.00 0.00 177.57 178.56 3d7i h VAL 14 N 0.84 1.24 -0.73 2.57 2.07 -1.66 0.11 116.25 120.68 3d7i h VAL 14 Ca 0.19 -0.83 0.07 0.00 0.82 0.00 0.00 66.70 66.96 3d7i h VAL 14 Cb 0.30 1.04 -0.06 0.00 -1.52 0.00 0.00 31.29 31.04 3d7i h VAL 14 CO -0.00 0.28 0.41 0.00 0.02 0.00 0.00 177.57 178.28 3d7i h ALA 15 N 0.93 1.01 -0.30 1.67 0.00 -1.76 0.12 119.26 120.92 3d7i h ALA 15 Ca 0.12 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 3d7i h ALA 15 Cb 0.34 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3d7i h ALA 15 CO 0.01 0.07 0.01 0.00 0.00 0.00 0.00 179.25 179.33 3d7i h ALA 16 N 1.39 0.41 0.21 0.00 0.00 -0.73 -3.33 119.26 117.20 3d7i h ALA 16 Ca 0.34 -0.22 -0.34 0.00 0.00 0.00 0.00 54.91 54.68 3d7i h ALA 16 Cb 0.26 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 17.96 3d7i h ALA 16 CO -0.21 0.14 -1.65 0.00 0.00 0.00 0.00 179.25 177.53 3d7i h ALA 17 N 0.85 0.04 -2.07 0.00 0.00 -0.50 -3.43 119.26 114.15 3d7i h ALA 17 Ca 0.09 -1.04 -0.55 0.00 0.00 0.00 0.00 54.91 53.41 3d7i h ALA 17 Cb 0.41 0.36 -0.37 0.00 0.00 0.00 0.00 17.79 18.20 3d7i h ALA 17 CO 0.01 0.90 -1.00 0.66 0.00 0.00 0.00 179.25 179.83 3d7i n TYR 18 N -3.65 -0.92 -0.33 0.00 4.01 0.39 -5.02 117.16 111.65 3d7i n TYR 18 Ca -0.22 -3.27 0.04 0.00 -0.16 0.00 0.00 57.90 54.28 3d7i n TYR 18 Cb 1.08 0.11 0.18 0.00 -0.31 0.00 0.00 39.34 40.41 3d7i n TYR 18 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 3d7i h PRO 19 N 4.88 0.91 -0.31 -0.72 0.11 -1.69 0.37 132.00 135.55 3d7i h PRO 19 Ca 0.16 -0.05 -0.15 0.00 0.11 0.00 0.00 66.00 66.07 3d7i h PRO 19 Cb 0.91 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.81 3d7i h PRO 19 CO 0.39 0.60 -0.41 -0.44 -0.21 0.00 0.00 178.00 177.93 3d7i h ASP 20 N 0.94 0.82 -0.40 -2.05 3.32 -1.93 -1.11 116.42 116.01 3d7i h ASP 20 Ca 0.43 -0.38 -0.04 0.00 0.02 0.00 0.00 57.03 57.06 3d7i h ASP 20 Cb 0.33 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 3d7i h ASP 20 CO -0.23 1.12 0.10 0.25 -1.72 0.00 0.00 179.24 178.77 3d7i h LEU 21 N 0.62 0.61 -0.40 1.55 5.85 -1.83 -2.16 115.31 119.54 3d7i h LEU 21 Ca 0.05 -0.23 0.08 0.00 0.84 0.00 0.00 57.88 58.62 3d7i h LEU 21 Cb 0.97 -0.16 -0.08 0.00 0.37 0.00 0.00 40.66 41.76 3d7i h LEU 21 CO 0.09 0.67 -0.12 0.22 -0.34 0.00 0.00 178.44 178.97 3d7i h TYR 22 N 0.51 -0.26 -0.84 1.25 3.20 -0.73 -1.02 116.97 119.08 3d7i h TYR 22 Ca 0.13 0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.04 3d7i h TYR 22 Cb 0.30 0.18 -0.04 0.00 1.54 0.00 0.00 36.73 38.71 3d7i h TYR 22 CO 0.02 -0.19 0.54 -0.44 -1.64 0.00 0.00 178.16 176.45 3d7i h ASP 23 N -0.02 0.98 -0.12 -2.11 3.32 -0.95 -0.41 116.42 117.11 3d7i h ASP 23 Ca 0.20 -0.03 -0.17 0.00 0.02 0.00 0.00 57.03 57.04 3d7i h ASP 23 Cb 0.32 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.62 3d7i h ASP 23 CO -0.43 0.72 -0.53 0.40 -1.72 0.00 0.00 179.24 177.68 3d7i h ILE 24 N 1.15 1.30 -0.56 0.35 2.04 -0.93 -1.79 117.51 119.07 3d7i h ILE 24 Ca 0.31 -1.75 -0.03 0.00 1.00 0.00 0.00 64.86 64.39 3d7i h ILE 24 Cb -0.11 1.68 -0.02 0.00 -0.74 0.00 0.00 36.82 37.63 3d7i h ILE 24 CO -0.06 0.56 0.24 0.40 0.00 0.00 0.00 178.15 179.28 3d7i h ILE 25 N 0.54 1.21 -0.36 -0.67 2.04 -0.56 0.37 117.51 120.08 3d7i h ILE 25 Ca 0.02 -0.64 -0.00 0.00 1.00 0.00 0.00 64.86 65.23 3d7i h ILE 25 Cb 1.10 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 37.77 3d7i h ILE 25 CO 0.11 0.25 0.22 0.58 0.00 0.00 0.00 178.15 179.31 3d7i h VAL 26 N 0.75 1.12 -0.80 1.67 2.07 -0.93 0.11 116.25 120.24 3d7i h VAL 26 Ca 0.19 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 3d7i h VAL 26 Cb 0.17 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 30.55 3d7i h VAL 26 CO -0.02 0.12 0.45 0.50 0.02 0.00 0.00 177.57 178.64 3d7i h LYS 27 N 0.47 1.11 -0.22 1.57 3.11 -1.02 -0.19 116.57 121.40 3d7i h LYS 27 Ca 0.13 -0.12 0.01 0.00 -2.81 0.00 0.00 60.65 57.86 3d7i h LYS 27 Cb 0.00 -0.22 -0.02 0.00 -1.00 0.00 0.00 32.23 30.99 3d7i h LYS 27 CO -0.02 0.81 0.10 1.25 -2.81 0.00 0.00 179.45 178.78 3d7i h LEU 28 N 1.11 0.15 -0.14 5.20 5.85 -0.44 -0.75 115.31 126.29 3d7i h LEU 28 Ca 0.28 0.01 0.02 0.00 0.84 0.00 0.00 57.88 59.04 3d7i h LEU 28 Cb 0.01 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 3d7i h LEU 28 CO -0.05 0.12 -0.01 -1.13 -0.34 0.00 0.00 178.44 177.03 3d7i h ASN 29 N 0.23 -0.08 -0.50 1.25 -1.24 -0.37 0.29 115.58 115.15 3d7i h ASN 29 Ca 0.09 0.03 -0.06 0.00 0.71 0.00 0.00 56.30 57.07 3d7i h ASN 29 Cb 0.03 0.07 -0.02 0.00 0.73 0.00 0.00 38.32 39.12 3d7i h ASN 29 CO -0.06 -0.02 0.08 0.44 -1.29 0.00 0.00 177.43 176.58 3d7i h ASP 30 N 0.03 0.84 -0.16 1.15 3.32 -0.83 -1.53 116.42 119.24 3d7i h ASP 30 Ca 0.07 -0.18 -0.06 0.00 0.02 0.00 0.00 57.03 56.88 3d7i h ASP 30 Cb 0.09 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.41 3d7i h ASP 30 CO -0.12 0.86 -0.13 0.74 -1.72 0.00 0.00 179.24 178.86 3d7i h THR 31 N 0.84 1.33 -0.87 0.35 2.02 -0.87 -2.75 112.91 112.96 3d7i h THR 31 Ca 0.17 -1.25 0.15 0.00 0.77 0.00 0.00 66.41 66.25 3d7i h THR 31 Cb 0.38 1.80 -0.10 0.00 -1.74 0.00 0.00 68.15 68.49 3d7i h THR 31 CO 0.01 0.37 0.46 0.58 0.37 0.00 0.00 175.52 177.31 3d7i h VAL 32 N 0.03 0.72 -0.43 3.16 2.07 -0.21 -1.83 116.25 119.77 3d7i h VAL 32 Ca 0.03 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.33 3d7i h VAL 32 Cb 0.65 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.44 3d7i h VAL 32 CO 0.03 0.12 0.00 0.49 0.02 0.00 0.00 177.57 178.23 3d7i n PHE 33 N -4.86 1.08 -3.55 1.57 3.72 -0.59 -4.25 117.46 110.58 3d7i n PHE 33 Ca 0.18 -0.41 -0.39 0.00 -0.05 0.00 0.00 57.45 56.78 3d7i n PHE 33 Cb 0.46 -0.22 -0.04 0.00 -0.94 0.00 0.00 39.48 38.73 3d7i n PHE 33 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 3d7i s THR 34 N -1.82 4.87 0.67 4.37 2.01 -0.69 -4.69 115.64 120.36 3d7i s THR 34 Ca 0.35 -3.74 -0.15 0.00 0.31 0.00 0.00 61.69 58.46 3d7i s THR 34 Cb 0.23 -3.98 0.00 0.00 0.01 0.00 0.00 72.50 68.76 3d7i s THR 34 CO 0.15 -1.12 1.12 -0.83 -0.69 0.00 0.00 174.62 173.26 3d7i s GLY 35 N 0.31 2.18 0.12 4.40 0.00 -1.26 -4.97 107.32 108.10 3d7i s GLY 35 Ca 0.28 0.59 0.01 0.00 0.00 0.00 0.00 44.72 45.61 3d7i s GLY 35 CO -0.11 0.95 1.27 0.50 0.00 0.00 0.00 173.10 175.71 3d7i h LYS 36 N -0.01 0.17 0.00 2.90 1.79 -1.96 -3.43 116.57 116.03 3d7i h LYS 36 Ca -0.47 -0.24 0.00 0.00 -2.18 0.00 0.00 60.65 57.76 3d7i h LYS 36 Cb 1.25 0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.99 3d7i h LYS 36 CO 0.53 1.06 -0.63 2.41 -1.08 0.00 0.00 179.45 181.74 3d7i n THR 37 N -3.53 0.00 -2.30 -0.16 -1.04 -1.26 -5.07 114.28 100.92 3d7i n THR 37 Ca -0.04 0.00 -0.40 0.00 -2.04 0.00 0.00 64.05 61.57 3d7i n THR 37 Cb 0.92 -0.99 -0.03 0.00 -1.82 0.00 0.00 70.33 68.41 3d7i n THR 37 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3d7i s LEU 38 N -5.39 4.46 0.75 -4.42 1.43 -1.26 -5.03 118.68 109.22 3d7i s LEU 38 Ca 0.00 2.46 -0.08 0.00 -1.03 0.00 0.00 54.13 55.48 3d7i s LEU 38 Cb 0.00 -3.67 0.08 0.00 0.03 0.00 0.00 46.19 42.63 3d7i s LEU 38 CO 0.00 -0.36 1.07 1.51 0.23 0.00 0.00 176.35 178.80 3d7i s ASP 39 N -0.73 4.58 0.19 2.29 1.47 -1.26 -4.15 116.67 119.05 3d7i s ASP 39 Ca 0.48 0.44 -0.11 0.00 1.18 0.00 0.00 52.55 54.53 3d7i s ASP 39 Cb -0.35 -0.99 0.11 0.00 -0.34 0.00 0.00 42.92 41.35 3d7i s ASP 39 CO 0.46 -1.77 1.78 0.22 0.68 0.00 0.00 175.17 176.54 3d7i h TYR 40 N -0.76 0.95 -0.45 2.11 3.20 -1.96 -2.24 116.97 117.82 3d7i h TYR 40 Ca -0.44 -0.04 0.08 0.00 3.14 0.00 0.00 58.73 61.46 3d7i h TYR 40 Cb 1.31 -0.30 -0.06 0.00 1.54 0.00 0.00 36.73 39.22 3d7i h TYR 40 CO 0.16 0.70 0.07 -0.22 -1.64 0.00 0.00 178.16 177.23 3d7i h LYS 41 N 0.92 0.19 -0.51 1.82 3.64 -1.97 0.43 116.57 121.11 3d7i h LYS 41 Ca 0.23 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.60 3d7i h LYS 41 Cb 0.10 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 3d7i h LYS 41 CO -0.03 0.13 0.31 1.15 -2.27 0.00 0.00 179.45 178.74 3d7i h THR 42 N 0.20 1.15 -0.80 1.00 2.02 -1.86 -1.11 112.91 113.51 3d7i h THR 42 Ca 0.22 -0.34 -0.04 0.00 0.77 0.00 0.00 66.41 67.03 3d7i h THR 42 Cb 0.29 0.46 -0.04 0.00 -1.74 0.00 0.00 68.15 67.13 3d7i h THR 42 CO -0.31 0.15 0.34 1.56 0.37 0.00 0.00 175.52 177.64 3d7i h GLN 43 N 0.68 1.17 -0.39 6.66 4.20 -0.99 -1.60 115.11 124.84 3d7i h GLN 43 Ca 0.18 -0.20 -0.09 0.00 0.06 0.00 0.00 58.65 58.60 3d7i h GLN 43 Cb -0.02 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 27.55 3d7i h GLN 43 CO -0.03 0.93 -0.13 0.87 -0.67 0.00 0.00 178.83 179.81 3d7i h LYS 44 N 1.15 0.69 -0.80 1.46 1.79 -0.60 -0.76 116.57 119.50 3d7i h LYS 44 Ca 0.27 -0.23 -0.02 0.00 -2.18 0.00 0.00 60.65 58.50 3d7i h LYS 44 Cb 0.18 -0.06 -0.04 0.00 -1.58 0.00 0.00 32.23 30.74 3d7i h LYS 44 CO -0.03 0.79 0.44 -0.07 -1.08 0.00 0.00 179.45 179.51 3d7i h LEU 45 N 0.63 1.00 -0.55 2.94 3.38 -0.94 -0.85 115.31 120.92 3d7i h LEU 45 Ca 0.11 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 3d7i h LEU 45 Cb 0.58 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 3d7i h LEU 45 CO 0.04 0.81 0.32 0.40 0.09 0.00 0.00 178.44 180.10 3d7i h ILE 46 N 1.11 1.17 -0.72 1.22 2.04 -1.02 -1.63 117.51 119.69 3d7i h ILE 46 Ca 0.28 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 65.74 3d7i h ILE 46 Cb 0.03 0.44 -0.04 0.00 -0.74 0.00 0.00 36.82 36.51 3d7i h ILE 46 CO -0.05 0.18 0.47 0.00 0.00 0.00 0.00 178.15 178.75 3d7i h ALA 47 N 1.16 0.91 -0.24 1.87 0.00 -0.67 -0.93 119.26 121.35 3d7i h ALA 47 Ca 0.20 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.07 3d7i h ALA 47 Cb 0.01 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 3d7i h ALA 47 CO -0.04 0.34 0.09 0.82 0.00 0.00 0.00 179.25 180.47 3d7i h ILE 48 N 0.97 0.95 -0.51 0.00 2.04 -0.92 -1.31 117.51 118.72 3d7i h ILE 48 Ca 0.26 -0.07 0.08 0.00 1.00 0.00 0.00 64.86 66.13 3d7i h ILE 48 Cb -0.10 0.72 -0.07 0.00 -0.74 0.00 0.00 36.82 36.64 3d7i h ILE 48 CO -0.06 0.04 0.15 1.23 0.00 0.00 0.00 178.15 179.51 3d7i h GLY 49 N 0.20 0.67 0.75 5.37 0.00 -0.68 1.00 103.07 110.38 3d7i h GLY 49 Ca 0.11 -0.07 -0.00 0.00 0.00 0.00 0.00 47.33 47.37 3d7i h GLY 49 CO -0.10 -0.03 -0.01 -2.22 0.00 0.00 0.00 176.54 174.18 3d7i h ILE 50 N 0.30 1.19 -0.12 2.60 2.04 -0.87 -1.94 117.51 120.72 3d7i h ILE 50 Ca 0.26 -0.59 -0.12 0.00 1.00 0.00 0.00 64.86 65.41 3d7i h ILE 50 Cb 0.31 1.59 -0.01 0.00 -0.74 0.00 0.00 36.82 37.97 3d7i h ILE 50 CO -0.29 0.15 -0.45 -0.37 0.00 0.00 0.00 178.15 177.19 3d7i h VAL 51 N -0.27 1.32 0.00 1.67 -1.51 -1.10 -2.45 116.25 113.91 3d7i h VAL 51 Ca -0.00 -1.61 -0.01 0.00 -1.23 0.00 0.00 66.70 63.85 3d7i h VAL 51 Cb 0.26 1.73 -0.00 0.00 -2.13 0.00 0.00 31.29 31.15 3d7i h VAL 51 CO 0.00 0.48 -0.03 0.00 -1.23 0.00 0.00 177.57 176.80 3d7i h ALA 52 N 1.30 1.02 0.00 5.19 0.00 -0.71 -2.17 119.26 123.90 3d7i h ALA 52 Ca 0.02 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3d7i h ALA 52 Cb 0.88 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.67 3d7i h ALA 52 CO 0.07 0.04 0.00 0.43 0.00 0.00 0.00 179.25 179.79 3d7i n SER 53 N -3.16 0.20 -3.03 0.00 7.64 -0.74 -4.75 113.62 109.79 3d7i n SER 53 Ca -0.00 0.53 -0.09 0.00 1.01 0.00 0.00 58.87 60.31 3d7i n SER 53 Cb 0.27 -0.58 0.00 0.00 -1.01 0.00 0.00 64.21 62.90 3d7i n SER 53 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3d7i n ARG 54 N -1.69 1.18 0.00 1.43 1.74 -0.82 -4.93 116.66 113.57 3d7i n ARG 54 Ca 0.06 -1.24 0.11 0.00 -0.77 0.00 0.00 57.85 56.01 3d7i n ARG 54 Cb 0.31 0.12 0.01 0.00 -1.02 0.00 0.00 32.46 31.89 3d7i n ARG 54 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3d7i s ASP 56 N -2.45 5.83 0.27 0.00 -1.08 -1.26 -4.80 116.67 113.19 3d7i s ASP 56 Ca 0.19 -1.05 0.01 0.00 -0.52 0.00 0.00 52.55 51.18 3d7i s ASP 56 Cb 0.18 -2.56 0.61 0.00 -1.46 0.00 0.00 42.92 39.68 3d7i s ASP 56 CO 0.55 -2.12 1.75 -0.08 0.52 0.00 0.00 175.17 175.79 3d7i h GLU 57 N 10.57 0.56 -0.35 4.34 4.22 -1.93 0.11 114.58 132.09 3d7i h GLU 57 Ca 0.14 -0.03 -0.11 0.00 0.08 0.00 0.00 59.36 59.44 3d7i h GLU 57 Cb 1.01 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.12 3d7i h GLU 57 CO 1.32 0.37 -0.20 -0.39 -2.18 0.00 0.00 179.01 177.93 3d7i h VAL 58 N 0.58 1.29 -0.87 0.32 -1.51 -1.99 -0.40 116.25 113.66 3d7i h VAL 58 Ca 0.50 -1.33 0.02 0.00 -1.23 0.00 0.00 66.70 64.66 3d7i h VAL 58 Cb 0.79 1.39 -0.05 0.00 -2.13 0.00 0.00 31.29 31.29 3d7i h VAL 58 CO -0.41 0.44 0.57 0.00 -1.23 0.00 0.00 177.57 176.94 3d7i h ALA 59 N 0.78 1.13 0.16 5.19 0.00 -1.81 -0.91 119.26 123.80 3d7i h ALA 59 Ca 0.07 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3d7i h ALA 59 Cb 0.75 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3d7i h ALA 59 CO 0.06 0.45 -0.08 0.82 0.00 0.00 0.00 179.25 180.50 3d7i h ILE 60 N 1.13 0.95 -0.78 0.00 2.04 -0.76 -0.79 117.51 119.29 3d7i h ILE 60 Ca 0.33 -0.52 0.11 0.00 1.00 0.00 0.00 64.86 65.78 3d7i h ILE 60 Cb -0.06 1.26 -0.08 0.00 -0.74 0.00 0.00 36.82 37.21 3d7i h ILE 60 CO -0.10 0.12 0.41 -0.08 0.00 0.00 0.00 178.15 178.51 3d7i h GLU 61 N -0.47 0.65 -0.34 2.37 4.57 -0.93 -2.82 114.58 117.61 3d7i h GLU 61 Ca -0.02 -0.04 -0.10 0.00 -1.18 0.00 0.00 59.36 58.02 3d7i h GLU 61 Cb 0.37 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.80 3d7i h GLU 61 CO 0.04 0.43 -0.18 0.87 -1.18 0.00 0.00 179.01 178.99 3d7i h LYS 62 N 0.67 0.73 -0.32 1.92 6.56 -1.08 0.39 116.57 125.44 3d7i h LYS 62 Ca 0.39 -0.32 0.00 0.00 -1.06 0.00 0.00 60.65 59.66 3d7i h LYS 62 Cb 0.44 -0.02 0.00 0.00 -0.57 0.00 0.00 32.23 32.08 3d7i h LYS 62 CO -0.29 0.93 0.00 1.04 -2.06 0.00 0.00 179.45 179.08 3d7i n GLN 63 N -4.31 0.10 0.00 3.15 1.13 -0.31 -1.41 117.38 115.73 3d7i n GLN 63 Ca -0.02 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.04 3d7i n GLN 63 Cb 0.41 -1.10 0.00 0.00 0.11 0.00 0.00 30.24 29.66 3d7i n GLN 63 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 3d7i n LYS 65 N 0.51 0.00 -0.26 -1.09 4.01 0.13 -1.69 118.16 119.77 3d7i n LYS 65 Ca 0.00 0.00 -0.06 0.00 -0.51 0.00 0.00 58.31 57.74 3d7i n LYS 65 Cb 0.03 0.00 0.05 0.00 -0.51 0.00 0.00 35.03 34.60 3d7i n LYS 65 CO 0.00 0.00 0.00 0.77 -1.11 0.00 0.00 177.40 177.06 3d7i h SER 66 N 0.00 0.90 0.00 4.39 0.02 -1.48 0.00 113.55 117.39 3d7i h SER 66 Ca 0.00 -0.12 0.00 0.00 -0.84 0.00 0.00 61.79 60.83 3d7i h SER 66 Cb 0.00 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.31 3d7i h SER 66 CO 0.00 0.76 0.00 0.00 -1.14 0.00 0.00 176.83 176.45 3d7i n ALA 67 N -2.36 0.99 0.00 3.77 0.00 -0.68 0.27 120.51 122.50 3d7i n ALA 67 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 3d7i n ALA 67 Cb 0.11 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 18.62 3d7i n ALA 67 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3d7i n LYS 69 N 0.36 0.00 -0.04 0.00 0.00 -0.01 -1.49 118.16 116.98 3d7i n LYS 69 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 58.31 58.17 3d7i n LYS 69 Cb 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 35.03 34.95 3d7i n LYS 69 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 3d7i h GLU 70 N 0.00 0.39 -0.01 -1.58 5.08 -0.41 -3.36 114.58 114.69 3d7i h GLU 70 Ca 0.00 -0.27 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 3d7i h GLU 70 Cb 0.00 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.29 3d7i h GLU 70 CO 0.00 0.87 -0.43 1.28 -1.00 0.00 0.00 179.01 179.74 3d7i n LEU 71 N -4.44 1.45 -0.94 1.33 4.32 -0.56 -4.98 117.00 113.18 3d7i n LEU 71 Ca -0.07 -0.71 -0.11 0.00 -0.02 0.00 0.00 56.01 55.10 3d7i n LEU 71 Cb 0.46 0.00 -0.04 0.00 -1.62 0.00 0.00 43.42 42.22 3d7i n LEU 71 CO 0.42 0.29 -0.11 0.61 -1.22 0.00 0.00 177.39 177.37 3d7i n GLY 72 N 1.21 0.90 3.77 -0.72 0.00 -1.02 -4.99 105.19 104.34 3d7i n GLY 72 Ca 0.06 -0.50 -0.41 0.00 0.00 0.00 0.00 46.02 45.17 3d7i n GLY 72 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3d7i s ILE 73 N -2.44 2.34 0.45 -0.61 1.01 -1.04 -5.01 121.20 115.91 3d7i s ILE 73 Ca 0.00 0.32 -0.02 0.00 0.00 0.00 0.00 60.65 60.96 3d7i s ILE 73 Cb 0.00 -3.21 -0.01 0.00 0.01 0.00 0.00 42.46 39.25 3d7i s ILE 73 CO 0.00 0.07 0.70 0.42 0.00 0.00 0.00 174.94 176.13 3d7i s THR 74 N -0.82 4.35 0.36 2.92 -4.23 -1.26 -4.84 115.64 112.12 3d7i s THR 74 Ca 0.54 -0.29 0.07 0.00 -1.18 0.00 0.00 61.69 60.83 3d7i s THR 74 Cb -0.44 -3.63 0.16 0.00 1.34 0.00 0.00 72.50 69.94 3d7i s THR 74 CO 0.55 -0.50 1.90 0.11 -0.54 0.00 0.00 174.62 176.15 3d7i h LYS 75 N 0.36 0.41 -0.77 3.99 1.57 -1.98 -1.64 116.57 118.51 3d7i h LYS 75 Ca -0.47 -0.09 -0.03 0.00 -1.87 0.00 0.00 60.65 58.19 3d7i h LYS 75 Cb 1.24 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 33.45 3d7i h LYS 75 CO 0.59 0.47 0.35 1.49 -0.57 0.00 0.00 179.45 181.78 3d7i h GLU 76 N 0.40 1.12 -0.45 3.15 4.81 -1.99 0.10 114.58 121.73 3d7i h GLU 76 Ca 0.09 -0.18 -0.05 0.00 -0.13 0.00 0.00 59.36 59.09 3d7i h GLU 76 Cb 0.32 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 3d7i h GLU 76 CO 0.01 0.89 0.09 0.93 -0.73 0.00 0.00 179.01 180.20 3d7i h GLU 77 N 1.09 0.73 -0.87 1.92 5.08 -1.85 -2.36 114.58 118.32 3d7i h GLU 77 Ca 0.26 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3d7i h GLU 77 Cb 0.15 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.27 3d7i h GLU 77 CO -0.03 0.74 0.56 0.82 -1.00 0.00 0.00 179.01 180.10 3d7i h ILE 78 N 0.60 1.23 -0.75 3.13 2.04 -0.96 -2.27 117.51 120.53 3d7i h ILE 78 Ca 0.14 -0.46 0.01 0.00 1.00 0.00 0.00 64.86 65.55 3d7i h ILE 78 Cb 0.35 -0.03 -0.04 0.00 -0.74 0.00 0.00 36.82 36.36 3d7i h ILE 78 CO 0.01 0.23 0.50 0.00 0.00 0.00 0.00 178.15 178.88 3d7i h ALA 79 N 1.31 1.46 -0.29 1.87 0.00 -0.61 -0.55 119.26 122.45 3d7i h ALA 79 Ca 0.32 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 55.10 3d7i h ALA 79 Cb -0.10 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.37 3d7i h ALA 79 CO -0.07 0.50 -0.15 -0.44 0.00 0.00 0.00 179.25 179.09 3d7i h ASP 80 N 1.02 0.48 -0.68 0.00 3.32 -0.91 -1.40 116.42 118.24 3d7i h ASP 80 Ca 0.27 -0.13 -0.00 0.00 0.02 0.00 0.00 57.03 57.19 3d7i h ASP 80 Cb -0.12 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.27 3d7i h ASP 80 CO -0.06 0.66 0.43 0.58 -1.72 0.00 0.00 179.24 179.13 3d7i h VAL 81 N 0.45 1.19 0.00 -1.35 2.07 -0.68 -3.01 116.25 114.92 3d7i h VAL 81 Ca 0.08 -0.40 -0.06 0.00 0.82 0.00 0.00 66.70 67.15 3d7i h VAL 81 Cb 0.53 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 3d7i h VAL 81 CO 0.03 0.19 -0.27 -0.07 0.02 0.00 0.00 177.57 177.48 3d7i h LEU 82 N 0.93 0.00 -0.77 2.57 3.38 -0.19 -1.25 115.31 119.98 3d7i h LEU 82 Ca 0.25 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.25 3d7i h LEU 82 Cb -0.05 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.65 3d7i h LEU 82 CO -0.05 0.27 0.48 0.03 0.09 0.00 0.00 178.44 179.26 3d7i h ARG 83 N 0.00 0.91 -0.51 1.13 3.08 -1.16 -0.36 114.38 117.48 3d7i h ARG 83 Ca -0.00 -0.05 -0.12 0.00 0.07 0.00 0.00 59.98 59.87 3d7i h ARG 83 Cb 0.61 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.44 3d7i h ARG 83 CO 0.03 0.60 -0.15 0.28 -1.07 0.00 0.00 179.97 179.67 3d7i h VAL 84 N 0.94 1.27 -0.64 2.04 2.07 -1.29 -2.55 116.25 118.10 3d7i h VAL 84 Ca 0.31 -1.31 0.10 0.00 0.82 0.00 0.00 66.70 66.61 3d7i h VAL 84 Cb 0.02 1.05 -0.07 0.00 -1.52 0.00 0.00 31.29 30.77 3d7i h VAL 84 CO -0.12 0.46 0.25 0.58 0.02 0.00 0.00 177.57 178.76 3d7i h VAL 85 N 0.87 0.77 -0.18 2.57 2.07 -0.75 -0.70 116.25 120.90 3d7i h VAL 85 Ca 0.12 -0.15 0.04 0.00 0.82 0.00 0.00 66.70 67.53 3d7i h VAL 85 Cb 0.73 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 3d7i h VAL 85 CO 0.06 0.08 -0.05 0.25 0.02 0.00 0.00 177.57 177.93 3d7i h LEU 86 N 0.44 -0.18 -0.71 2.57 5.85 -0.77 0.92 115.31 123.42 3d7i h LEU 86 Ca 0.32 0.06 -0.08 0.00 0.84 0.00 0.00 57.88 59.02 3d7i h LEU 86 Cb 0.40 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 3d7i h LEU 86 CO -0.31 -0.07 0.07 0.25 -0.34 0.00 0.00 178.44 178.04 3d7i h LEU 87 N -0.01 1.03 0.00 2.25 5.85 -1.05 -0.53 115.31 122.84 3d7i h LEU 87 Ca 0.09 -0.26 -0.07 0.00 0.84 0.00 0.00 57.88 58.48 3d7i h LEU 87 Cb 0.14 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 3d7i h LEU 87 CO -0.19 1.04 -0.56 0.71 -0.34 0.00 0.00 178.44 179.09 3d7i h THR 88 N 0.99 0.41 0.00 1.05 1.35 -1.00 -3.42 112.91 112.30 3d7i h THR 88 Ca 0.19 -1.62 0.00 0.00 -0.55 0.00 0.00 66.41 64.43 3d7i h THR 88 Cb 0.47 2.09 0.00 0.00 -1.73 0.00 0.00 68.15 68.98 3d7i h THR 88 CO 0.02 0.23 -0.11 -1.20 -0.25 0.00 0.00 175.52 174.21 3d7i n SER 89 N -3.05 0.55 0.00 5.36 7.64 0.31 -5.07 113.62 119.35 3d7i n SER 89 Ca 0.01 -0.05 0.00 0.00 1.01 0.00 0.00 58.87 59.84 3d7i n SER 89 Cb 0.66 0.20 0.00 0.00 -1.01 0.00 0.00 64.21 64.06 3d7i n SER 89 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3d7i n GLY 90 N 0.37 0.87 1.07 0.23 0.00 -0.21 -4.62 105.19 102.90 3d7i n GLY 90 Ca 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.85 3d7i n GLY 90 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3d7i n PRO 92 N 0.00 0.00 -0.14 1.61 -0.02 -1.26 -2.55 135.00 132.64 3d7i n PRO 92 Ca 0.00 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.37 3d7i n PRO 92 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 33.50 33.47 3d7i n PRO 92 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3d7i h ALA 93 N 0.00 0.55 0.02 3.55 0.00 -1.88 -2.00 119.26 119.50 3d7i h ALA 93 Ca 0.00 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.64 3d7i h ALA 93 Cb 0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3d7i h ALA 93 CO 0.00 0.35 -0.05 0.35 0.00 0.00 0.00 179.25 179.90 3d7i h PHE 94 N 0.55 -0.13 -0.30 0.00 3.57 -1.79 -1.66 116.94 117.20 3d7i h PHE 94 Ca 0.11 0.00 -0.15 0.00 3.53 0.00 0.00 57.97 61.46 3d7i h PHE 94 Cb 0.52 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.31 3d7i h PHE 94 CO 0.04 -0.08 -0.43 1.79 -2.23 0.00 0.00 178.31 177.40 3d7i h THR 95 N -0.10 1.29 -0.32 4.41 1.35 -1.83 -2.88 112.91 114.84 3d7i h THR 95 Ca 0.02 -1.61 -0.01 0.00 -0.55 0.00 0.00 66.41 64.25 3d7i h THR 95 Cb 0.11 1.52 -0.01 0.00 -1.73 0.00 0.00 68.15 68.04 3d7i h THR 95 CO -0.04 0.52 0.16 0.50 -0.25 0.00 0.00 175.52 176.41 3d7i h LYS 96 N 0.60 0.45 -1.36 4.72 3.64 -1.33 -1.72 116.57 121.57 3d7i h LYS 96 Ca 0.04 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3d7i h LYS 96 Cb 0.99 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.72 3d7i h LYS 96 CO 0.09 0.41 0.00 0.00 -2.27 0.00 0.00 179.45 177.68 3d7i n ALA 97 N -2.24 1.67 0.00 5.00 0.00 -0.63 -2.02 120.51 122.29 3d7i n ALA 97 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3d7i n ALA 97 Cb 0.09 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.54 3d7i n ALA 97 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3d7i n LYS 99 N 0.74 0.00 -0.13 0.00 4.81 -0.65 -0.75 118.16 122.18 3d7i n LYS 99 Ca 0.00 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.35 3d7i n LYS 99 Cb 0.12 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.16 3d7i n LYS 99 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 3d7i h ILE 100 N 0.00 1.16 -0.63 3.15 2.04 -1.68 -2.20 117.51 119.36 3d7i h ILE 100 Ca 0.00 -0.46 0.01 0.00 1.00 0.00 0.00 64.86 65.41 3d7i h ILE 100 Cb 0.00 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 36.80 3d7i h ILE 100 CO 0.00 0.17 0.41 0.25 0.00 0.00 0.00 178.15 178.99 3d7i h LEU 101 N 0.49 0.71 -0.88 1.44 5.85 -1.22 -2.42 115.31 119.28 3d7i h LEU 101 Ca 0.13 -0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.86 3d7i h LEU 101 Cb 0.10 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 40.91 3d7i h LEU 101 CO -0.02 0.51 0.58 -0.33 -0.34 0.00 0.00 178.44 178.84 3d7i h GLU 102 N 0.84 1.12 0.00 1.25 5.08 -1.78 -2.60 114.58 118.50 3d7i h GLU 102 Ca 0.23 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 3d7i h GLU 102 Cb -0.09 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 28.91 3d7i h GLU 102 CO -0.05 0.74 0.00 1.63 -1.00 0.00 0.00 179.01 180.33 3d7i n LYS 103 N -4.50 0.07 0.00 2.33 4.01 -0.84 -5.11 118.16 114.13 3d7i n LYS 103 Ca 0.10 0.08 0.10 0.00 -0.51 0.00 0.00 58.31 58.08 3d7i n LYS 103 Cb 0.04 -1.59 0.60 0.00 -0.51 0.00 0.00 35.03 33.58 3d7i n LYS 103 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57