#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gix h PHE 3 N 0.00 0.41 -3.48 0.66 0.04 -1.99 -3.29 116.94 109.28 3gix h PHE 3 Ca 0.00 0.01 -0.75 0.00 2.80 0.00 0.00 57.97 60.03 3gix h PHE 3 Cb 0.00 -0.13 -0.28 0.00 2.20 0.00 0.00 35.95 37.75 3gix h PHE 3 CO 0.00 0.12 -0.17 -0.51 -0.60 0.00 0.00 178.31 177.15 3gix s LEU 4 N -9.23 6.14 0.63 1.54 1.43 -1.26 -4.73 118.68 113.19 3gix s LEU 4 Ca -0.07 -2.32 -0.17 0.00 -1.03 0.00 0.00 54.13 50.54 3gix s LEU 4 Cb 0.22 -2.11 -0.02 0.00 0.03 0.00 0.00 46.19 44.32 3gix s LEU 4 CO 0.78 -0.64 1.17 -0.76 0.23 0.00 0.00 176.35 177.13 3gix s LEU 5 N 0.76 3.55 0.41 1.79 1.43 -1.24 -4.95 118.68 120.42 3gix s LEU 5 Ca 0.11 2.27 -0.26 0.00 -1.03 0.00 0.00 54.13 55.22 3gix s LEU 5 Cb -0.20 -4.58 -0.09 0.00 0.03 0.00 0.00 46.19 41.35 3gix s LEU 5 CO -0.03 -1.68 1.31 -2.16 0.23 0.00 0.00 176.35 174.02 3gix s PRO 6 N -3.60 3.94 -0.10 1.29 0.04 -1.26 -4.78 135.00 130.52 3gix s PRO 6 Ca 0.74 2.18 -0.06 0.00 0.04 0.00 0.00 61.00 63.89 3gix s PRO 6 Cb -0.27 -2.74 -0.04 0.00 0.04 0.00 0.00 34.50 31.49 3gix s PRO 6 CO 0.36 -0.53 0.15 0.15 0.04 0.00 0.00 177.00 177.18 3gix s LYS 7 N -2.27 3.45 -0.12 4.56 1.02 -1.26 -0.89 119.74 124.23 3gix s LYS 7 Ca 0.57 -0.16 0.02 0.00 0.02 0.00 0.00 55.97 56.43 3gix s LYS 7 Cb -0.38 -3.17 -0.00 0.00 -0.52 0.00 0.00 37.83 33.75 3gix s LYS 7 CO 0.49 0.76 -0.20 -0.51 -0.92 0.00 0.00 175.35 174.98 3gix s LEU 8 N -1.21 2.31 -0.06 3.17 1.43 0.16 -4.93 118.68 119.56 3gix s LEU 8 Ca 0.18 -0.49 0.08 0.00 -1.03 0.00 0.00 54.13 52.86 3gix s LEU 8 Cb -0.12 -1.49 0.13 0.00 0.03 0.00 0.00 46.19 44.74 3gix s LEU 8 CO 0.07 0.14 1.03 0.35 0.23 0.00 0.00 176.35 178.17 3gix n THR 9 N 3.68 0.90 -3.60 5.49 -2.24 -1.26 -1.76 114.28 115.49 3gix n THR 9 Ca -0.19 -1.07 -0.11 0.00 -2.27 0.00 0.00 64.05 60.42 3gix n THR 9 Cb 0.53 0.21 -0.04 0.00 -2.10 0.00 0.00 70.33 68.93 3gix n THR 9 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3gix s SER 10 N -1.75 -0.30 0.21 3.42 1.04 -1.26 -4.30 113.70 110.76 3gix s SER 10 Ca 0.14 -0.27 -0.09 0.00 0.48 0.00 0.00 55.95 56.21 3gix s SER 10 Cb 0.12 0.51 0.28 0.00 0.10 0.00 0.00 66.02 67.03 3gix s SER 10 CO 0.01 -0.90 1.78 0.50 0.98 0.00 0.00 173.24 175.62 3gix h LYS 11 N 2.27 0.58 -0.23 4.02 3.11 -1.94 -1.99 116.57 122.40 3gix h LYS 11 Ca -0.33 -0.03 -0.07 0.00 -2.81 0.00 0.00 60.65 57.40 3gix h LYS 11 Cb 1.27 -0.13 -0.01 0.00 -1.00 0.00 0.00 32.23 32.35 3gix h LYS 11 CO 0.44 0.38 -0.17 -0.22 -2.81 0.00 0.00 179.45 177.07 3gix h LYS 12 N 0.60 0.39 -0.41 1.90 3.64 -1.99 0.79 116.57 121.49 3gix h LYS 12 Ca 0.32 -0.12 -0.11 0.00 -1.27 0.00 0.00 60.65 59.47 3gix h LYS 12 Cb 0.29 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 3gix h LYS 12 CO -0.23 0.56 -0.18 0.93 -2.27 0.00 0.00 179.45 178.25 3gix h GLU 13 N 0.36 0.79 -0.37 1.90 5.08 -1.81 -0.86 114.58 119.67 3gix h GLU 13 Ca 0.06 -0.30 -0.10 0.00 -1.00 0.00 0.00 59.36 58.02 3gix h GLU 13 Cb 0.52 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 3gix h GLU 13 CO 0.03 0.91 -0.18 0.28 -1.00 0.00 0.00 179.01 179.06 3gix h VAL 14 N 0.70 1.28 -0.53 3.13 2.07 -0.80 -1.39 116.25 120.71 3gix h VAL 14 Ca 0.10 -1.30 0.08 0.00 0.82 0.00 0.00 66.70 66.41 3gix h VAL 14 Cb 0.68 1.34 -0.07 0.00 -1.52 0.00 0.00 31.29 31.73 3gix h VAL 14 CO 0.05 0.43 0.17 0.44 0.02 0.00 0.00 177.57 178.68 3gix h ASP 15 N 0.56 0.14 -0.71 0.57 3.32 -0.67 -0.74 116.42 118.90 3gix h ASP 15 Ca 0.08 0.07 -0.07 0.00 0.02 0.00 0.00 57.03 57.14 3gix h ASP 15 Cb 0.72 0.07 -0.03 0.00 0.22 0.00 0.00 39.33 40.31 3gix h ASP 15 CO 0.05 0.10 0.17 -0.61 -1.72 0.00 0.00 179.24 177.24 3gix h GLN 16 N 0.33 1.13 -0.55 3.56 5.75 -0.99 -2.14 115.11 122.20 3gix h GLN 16 Ca 0.26 -0.27 -0.06 0.00 -0.15 0.00 0.00 58.65 58.43 3gix h GLN 16 Cb 0.32 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 28.69 3gix h GLN 16 CO -0.29 1.00 0.09 0.00 -2.65 0.00 0.00 178.83 176.98 3gix h ALA 17 N 1.09 1.12 -0.85 3.38 0.00 -0.59 0.19 119.26 123.60 3gix h ALA 17 Ca 0.22 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3gix h ALA 17 Cb 0.37 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 3gix h ALA 17 CO 0.00 0.58 0.54 0.82 0.00 0.00 0.00 179.25 181.19 3gix h ILE 18 N 0.83 1.23 -0.01 0.00 2.04 -0.97 -2.56 117.51 118.07 3gix h ILE 18 Ca 0.17 -0.44 -0.18 0.00 1.00 0.00 0.00 64.86 65.42 3gix h ILE 18 Cb 0.37 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.44 3gix h ILE 18 CO 0.01 0.22 -0.80 0.11 0.00 0.00 0.00 178.15 177.70 3gix h LYS 19 N 1.15 0.12 0.00 2.37 1.57 -0.83 -3.30 116.57 117.64 3gix h LYS 19 Ca 0.31 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 3gix h LYS 19 Cb -0.10 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.24 3gix h LYS 19 CO -0.06 0.85 -0.72 -1.13 -0.57 0.00 0.00 179.45 177.81 3gix n SER 20 N -3.67 0.62 -4.55 0.86 3.41 0.63 -4.79 113.62 106.14 3gix n SER 20 Ca -0.02 -0.30 -0.43 0.00 -0.26 0.00 0.00 58.87 57.86 3gix n SER 20 Cb 0.76 0.48 -0.06 0.00 -0.26 0.00 0.00 64.21 65.13 3gix n SER 20 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3gix s THR 21 N -3.07 4.77 -0.13 6.66 2.01 -0.99 -5.01 115.64 119.88 3gix s THR 21 Ca 0.08 0.45 -0.02 0.00 0.31 0.00 0.00 61.69 62.51 3gix s THR 21 Cb 0.16 -4.21 -0.02 0.00 0.01 0.00 0.00 72.50 68.43 3gix s THR 21 CO 0.75 -0.54 -0.08 0.00 -0.69 0.00 0.00 174.62 174.06 3gix s ALA 22 N 2.99 2.86 -1.71 7.40 0.00 -1.26 -4.22 121.76 127.81 3gix s ALA 22 Ca 0.27 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 51.37 3gix s ALA 22 Cb -0.13 -1.38 0.00 0.00 0.00 0.00 0.00 23.12 21.61 3gix s ALA 22 CO 0.19 0.28 0.00 0.39 0.00 0.00 0.00 175.76 176.62 3gix n GLU 23 N 3.33 -1.27 -3.95 0.00 -0.58 -1.26 -4.96 120.64 111.94 3gix n GLU 23 Ca -0.18 1.01 -0.09 0.00 -0.42 0.00 0.00 57.16 57.49 3gix n GLU 23 Cb 0.53 -5.33 -0.09 0.00 -0.57 0.00 0.00 31.44 25.97 3gix n GLU 23 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 3gix s LYS 24 N -3.98 0.58 -0.00 3.49 1.02 -1.26 -4.93 119.74 114.66 3gix s LYS 24 Ca 0.00 -0.81 -0.30 0.00 0.02 0.00 0.00 55.97 54.87 3gix s LYS 24 Cb 0.00 0.22 -0.06 0.00 -0.52 0.00 0.00 37.83 37.48 3gix s LYS 24 CO 0.00 -0.14 1.42 0.08 -0.92 0.00 0.00 175.35 175.79 3gix s VAL 25 N -2.74 3.68 -0.20 3.17 1.01 0.83 -4.46 120.40 121.68 3gix s VAL 25 Ca -0.04 1.05 -0.22 0.00 0.00 0.00 0.00 61.98 62.78 3gix s VAL 25 Cb -0.00 -3.68 -0.02 0.00 0.00 0.00 0.00 36.38 32.68 3gix s VAL 25 CO -0.05 -0.01 0.67 -0.22 0.00 0.00 0.00 175.10 175.49 3gix s LEU 26 N 2.52 4.14 -0.31 3.92 2.96 0.02 -0.69 118.68 131.23 3gix s LEU 26 Ca 0.65 0.88 -0.06 0.00 -0.22 0.00 0.00 54.13 55.37 3gix s LEU 26 Cb -0.32 -2.95 0.02 0.00 0.50 0.00 0.00 46.19 43.45 3gix s LEU 26 CO 0.27 -0.31 0.08 -0.69 -1.32 0.00 0.00 176.35 174.38 3gix s VAL 27 N 2.04 3.81 -0.36 1.68 1.01 -0.21 -1.05 120.40 127.32 3gix s VAL 27 Ca 0.30 -0.93 -0.07 0.00 0.00 0.00 0.00 61.98 61.28 3gix s VAL 27 Cb -0.16 -3.05 0.05 0.00 0.00 0.00 0.00 36.38 33.22 3gix s VAL 27 CO 0.10 -0.04 0.15 -0.76 0.00 0.00 0.00 175.10 174.56 3gix s LEU 28 N 1.44 4.57 -0.49 3.92 1.43 -0.23 -1.00 118.68 128.32 3gix s LEU 28 Ca 0.00 -1.23 -0.22 0.00 -1.03 0.00 0.00 54.13 51.66 3gix s LEU 28 Cb -0.18 -1.91 0.04 0.00 0.03 0.00 0.00 46.19 44.17 3gix s LEU 28 CO 0.02 -0.38 0.74 -0.60 0.23 0.00 0.00 176.35 176.36 3gix s ARG 29 N 1.41 3.27 -0.24 1.70 3.00 -0.52 -1.13 118.95 126.44 3gix s ARG 29 Ca 0.00 -0.45 -0.22 0.00 -1.00 0.00 0.00 55.73 54.06 3gix s ARG 29 Cb -0.20 -4.02 -0.02 0.00 0.00 0.00 0.00 34.95 30.71 3gix s ARG 29 CO 0.03 -1.22 0.70 -0.06 0.00 0.00 0.00 175.30 174.75 3gix s PHE 30 N 3.14 3.31 0.00 5.12 0.40 0.53 0.04 117.98 130.52 3gix s PHE 30 Ca 0.24 0.95 0.00 0.00 -0.60 0.00 0.00 56.93 57.52 3gix s PHE 30 Cb -0.15 -2.91 0.00 0.00 0.51 0.00 0.00 43.02 40.47 3gix s PHE 30 CO 0.18 -0.33 0.00 0.41 0.70 0.00 0.00 175.22 176.18 3gix n GLY 31 N 3.96 1.11 2.88 4.36 0.00 -0.81 -1.57 105.19 115.12 3gix n GLY 31 Ca 0.02 -0.62 -0.19 0.00 0.00 0.00 0.00 46.02 45.23 3gix n GLY 31 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gix s ARG 32 N 1.00 0.65 0.53 1.61 0.52 -1.26 -2.29 118.95 119.71 3gix s ARG 32 Ca 0.00 -0.07 0.29 0.00 -0.52 0.00 0.00 55.73 55.44 3gix s ARG 32 Cb 0.00 -0.69 1.50 0.00 0.52 0.00 0.00 34.95 36.28 3gix s ARG 32 CO 0.00 -0.07 2.08 -0.44 0.02 0.00 0.00 175.30 176.89 3gix h ASP 33 N 7.07 0.00 -0.30 0.23 3.32 -1.96 -2.24 116.42 122.53 3gix h ASP 33 Ca -0.39 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.66 3gix h ASP 33 Cb 1.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.70 3gix h ASP 33 CO 0.48 0.10 0.00 -0.62 -1.72 0.00 0.00 179.24 177.48 3gix n GLU 34 N -3.53 2.39 -2.18 3.56 4.71 -1.26 -4.48 120.64 119.85 3gix n GLU 34 Ca -0.02 -2.16 -0.41 0.00 -0.01 0.00 0.00 57.16 54.56 3gix n GLU 34 Cb 0.24 -1.48 -0.03 0.00 -1.01 0.00 0.00 31.44 29.16 3gix n GLU 34 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 3gix s ASP 35 N -1.53 6.85 0.22 1.62 -1.08 -0.85 -4.84 116.67 117.07 3gix s ASP 35 Ca 0.35 2.42 -0.09 0.00 -0.52 0.00 0.00 52.55 54.71 3gix s ASP 35 Cb 0.21 -2.61 0.32 0.00 -1.46 0.00 0.00 42.92 39.39 3gix s ASP 35 CO 0.30 -0.57 1.70 -0.65 0.52 0.00 0.00 175.17 176.46 3gix h PRO 36 N 5.57 0.24 -0.06 4.34 0.11 -1.92 0.22 132.00 140.50 3gix h PRO 36 Ca -0.44 -0.01 -0.16 0.00 0.11 0.00 0.00 66.00 65.49 3gix h PRO 36 Cb 1.21 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 3gix h PRO 36 CO 0.79 0.16 -0.68 0.28 -0.21 0.00 0.00 178.00 178.34 3gix h VAL 37 N 0.24 1.41 -0.88 3.15 2.07 -1.92 -1.99 116.25 118.34 3gix h VAL 37 Ca 0.33 -2.14 -0.02 0.00 0.82 0.00 0.00 66.70 65.69 3gix h VAL 37 Cb 0.52 2.12 -0.04 0.00 -1.52 0.00 0.00 31.29 32.36 3gix h VAL 37 CO -0.44 0.63 0.48 0.00 0.02 0.00 0.00 177.57 178.26 3gix h LEU 39 N 1.23 1.06 0.01 0.00 3.38 -0.23 0.46 115.31 121.23 3gix h LEU 39 Ca 0.31 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.19 3gix h LEU 39 Cb 0.03 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.51 3gix h LEU 39 CO -0.05 0.84 -0.01 1.56 0.09 0.00 0.00 178.44 180.88 3gix h GLN 40 N 1.20 -0.02 -0.53 1.13 4.20 -0.72 -2.19 115.11 118.17 3gix h GLN 40 Ca 0.31 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.93 3gix h GLN 40 Cb -0.00 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.77 3gix h GLN 40 CO -0.05 0.10 -0.02 1.25 -0.67 0.00 0.00 178.83 179.44 3gix h LEU 41 N -0.14 0.94 -1.37 1.46 5.85 -0.85 -2.96 115.31 118.24 3gix h LEU 41 Ca -0.00 -0.32 -0.07 0.00 0.84 0.00 0.00 57.88 58.34 3gix h LEU 41 Cb 0.13 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 3gix h LEU 41 CO 0.00 1.03 -0.31 0.44 -0.34 0.00 0.00 178.44 179.26 3gix h ASP 42 N 0.83 0.00 -0.32 1.25 3.32 -0.03 0.79 116.42 122.26 3gix h ASP 42 Ca 0.15 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.17 3gix h ASP 42 Cb 0.56 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.09 3gix h ASP 42 CO 0.03 0.31 0.10 -0.78 -1.72 0.00 0.00 179.24 177.18 3gix h ASP 43 N 0.00 0.47 -0.49 6.45 1.82 -1.23 0.47 116.42 123.90 3gix h ASP 43 Ca -0.00 -0.21 -0.01 0.00 -0.39 0.00 0.00 57.03 56.42 3gix h ASP 43 Cb 0.59 -0.12 -0.02 0.00 0.68 0.00 0.00 39.33 40.46 3gix h ASP 43 CO 0.04 0.55 0.26 0.40 -1.61 0.00 0.00 179.24 178.89 3gix h ILE 44 N 0.36 1.18 -0.57 2.25 2.04 -1.17 -1.06 117.51 120.54 3gix h ILE 44 Ca 0.10 -0.46 -0.01 0.00 1.00 0.00 0.00 64.86 65.50 3gix h ILE 44 Cb 0.25 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 36.89 3gix h ILE 44 CO -0.00 0.19 0.33 -0.07 0.00 0.00 0.00 178.15 178.59 3gix h LEU 45 N 0.65 0.70 0.04 1.44 3.38 -0.75 -1.42 115.31 119.35 3gix h LEU 45 Ca 0.17 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 3gix h LEU 45 Cb 0.07 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.64 3gix h LEU 45 CO -0.03 0.57 -0.02 -1.28 0.09 0.00 0.00 178.44 177.78 3gix h SER 46 N 0.77 -0.04 0.99 -0.43 0.87 -0.84 -1.58 113.55 113.28 3gix h SER 46 Ca 0.20 -0.06 -0.00 0.00 -1.23 0.00 0.00 61.79 60.70 3gix h SER 46 Cb 0.02 0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 61.99 3gix h SER 46 CO -0.04 0.04 -0.00 0.11 -0.53 0.00 0.00 176.83 176.41 3gix h LYS 47 N -0.12 0.00 0.00 2.24 1.57 -1.02 -2.90 116.57 116.33 3gix h LYS 47 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3gix h LYS 47 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.42 3gix h LYS 47 CO 0.01 0.00 -0.98 0.25 -0.57 0.00 0.00 179.45 178.16 3gix n THR 48 N -3.10 0.00 -0.32 -0.16 -2.24 -0.55 -4.64 114.28 103.28 3gix n THR 48 Ca 0.00 -0.15 0.01 0.00 -2.27 0.00 0.00 64.05 61.65 3gix n THR 48 Cb 0.30 0.84 0.14 0.00 -2.10 0.00 0.00 70.33 69.52 3gix n THR 48 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3gix h SER 49 N 0.00 0.87 -0.14 3.42 4.64 -1.07 -1.53 113.55 119.75 3gix h SER 49 Ca 0.00 0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 61.31 3gix h SER 49 Cb 0.48 -0.17 -0.00 0.00 -0.31 0.00 0.00 62.40 62.39 3gix h SER 49 CO 0.00 0.56 -0.03 0.28 -0.87 0.00 0.00 176.83 176.77 3gix h SER 50 N 1.01 0.26 0.87 4.97 0.02 -1.82 -2.27 113.55 116.59 3gix h SER 50 Ca 0.38 -0.36 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 3gix h SER 50 Cb 0.16 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.63 3gix h SER 50 CO -0.17 0.56 0.00 0.47 -1.14 0.00 0.00 176.83 176.55 3gix n ASP 51 N -4.72 0.06 -0.65 3.07 8.00 -1.07 -1.62 116.55 119.61 3gix n ASP 51 Ca -0.06 0.51 0.12 0.00 0.71 0.00 0.00 54.79 56.07 3gix n ASP 51 Cb 0.25 -0.52 0.36 0.00 -0.02 0.00 0.00 41.12 41.19 3gix n ASP 51 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3gix n LEU 52 N -1.56 1.98 0.31 0.64 4.77 -0.60 -4.61 117.00 117.93 3gix n LEU 52 Ca 0.06 -0.79 0.20 0.00 -0.03 0.00 0.00 56.01 55.46 3gix n LEU 52 Cb 0.29 -0.10 0.99 0.00 -2.33 0.00 0.00 43.42 42.27 3gix n LEU 52 CO 0.23 0.39 1.10 0.77 -1.33 0.00 0.00 177.39 178.56 3gix h SER 53 N 2.74 0.00 1.72 -1.43 4.64 -0.71 0.24 113.55 120.76 3gix h SER 53 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3gix h SER 53 Cb 0.60 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 3gix h SER 53 CO 0.00 0.00 0.00 0.11 -0.87 0.00 0.00 176.83 176.07 3gix h LYS 54 N 0.00 0.00 0.00 4.77 1.57 -1.83 -3.37 116.57 117.72 3gix h LYS 54 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3gix h LYS 54 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 3gix h LYS 54 CO 0.00 0.00 -1.30 -1.33 -0.57 0.00 0.00 179.45 176.25 3gix n MET 55 N -2.80 0.45 -3.75 3.15 2.81 -0.11 -4.89 117.12 111.99 3gix n MET 55 Ca 0.04 -0.07 -0.13 0.00 -1.81 0.00 0.00 57.70 55.73 3gix n MET 55 Cb 0.47 -1.17 -0.09 0.00 -0.71 0.00 0.00 33.22 31.73 3gix n MET 55 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3gix s ALA 56 N -2.49 -0.83 -0.12 3.04 0.00 -0.15 -0.12 121.76 121.09 3gix s ALA 56 Ca -0.03 0.43 0.02 0.00 0.00 0.00 0.00 51.96 52.38 3gix s ALA 56 Cb 0.05 0.01 0.01 0.00 0.00 0.00 0.00 23.12 23.19 3gix s ALA 56 CO 0.32 -0.26 -0.17 0.00 0.00 0.00 0.00 175.76 175.65 3gix s ALA 57 N -1.18 1.83 -0.10 0.00 0.00 0.14 -4.34 121.76 118.12 3gix s ALA 57 Ca -0.12 -0.82 -0.02 0.00 0.00 0.00 0.00 51.96 50.99 3gix s ALA 57 Cb -0.05 -0.87 -0.03 0.00 0.00 0.00 0.00 23.12 22.17 3gix s ALA 57 CO 0.04 -0.06 -0.01 0.42 0.00 0.00 0.00 175.76 176.15 3gix s ILE 58 N 0.94 4.21 0.05 0.00 1.01 -1.26 -1.04 121.20 125.10 3gix s ILE 58 Ca -0.07 -0.28 0.04 0.00 0.00 0.00 0.00 60.65 60.35 3gix s ILE 58 Cb -0.15 -2.78 -0.02 0.00 0.01 0.00 0.00 42.46 39.52 3gix s ILE 58 CO -0.02 0.58 -0.12 -0.31 0.00 0.00 0.00 174.94 175.07 3gix s TYR 59 N -0.62 1.04 -0.27 3.97 1.51 -0.17 -4.27 117.35 118.53 3gix s TYR 59 Ca 0.10 -0.40 -0.09 0.00 -1.01 0.00 0.00 57.07 55.67 3gix s TYR 59 Cb -0.12 -0.61 -0.03 0.00 -0.11 0.00 0.00 41.96 41.09 3gix s TYR 59 CO 0.02 0.01 0.13 -0.51 -1.11 0.00 0.00 175.55 174.09 3gix s LEU 60 N -1.35 3.77 -0.21 -1.29 1.43 -0.06 -1.44 118.68 119.53 3gix s LEU 60 Ca -0.02 -0.20 -0.08 0.00 -1.03 0.00 0.00 54.13 52.80 3gix s LEU 60 Cb -0.09 -2.01 -0.04 0.00 0.03 0.00 0.00 46.19 44.09 3gix s LEU 60 CO 0.01 -0.07 0.07 -0.69 0.23 0.00 0.00 176.35 175.90 3gix s VAL 61 N 1.67 4.66 -0.55 -1.59 1.01 0.11 -0.67 120.40 125.03 3gix s VAL 61 Ca 0.06 -0.07 -0.27 0.00 0.00 0.00 0.00 61.98 61.71 3gix s VAL 61 Cb -0.16 -3.13 0.03 0.00 0.00 0.00 0.00 36.38 33.13 3gix s VAL 61 CO 0.07 0.41 1.08 -0.62 0.00 0.00 0.00 175.10 176.03 3gix s ASP 62 N 0.85 6.42 0.02 3.32 3.68 -0.72 -1.93 116.67 128.31 3gix s ASP 62 Ca 0.04 -0.04 0.16 0.00 2.13 0.00 0.00 52.55 54.84 3gix s ASP 62 Cb -0.14 -2.50 0.67 0.00 -1.45 0.00 0.00 42.92 39.50 3gix s ASP 62 CO 0.02 -1.34 1.50 1.33 0.13 0.00 0.00 175.17 176.82 3gix n VAL 63 N 6.49 0.94 1.26 1.11 0.24 -0.97 -2.42 118.33 124.98 3gix n VAL 63 Ca 0.06 0.24 0.13 0.00 -2.04 0.00 0.00 64.34 62.73 3gix n VAL 63 Cb 0.48 -0.99 0.37 0.00 -1.47 0.00 0.00 33.84 32.23 3gix n VAL 63 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 3gix n ASP 64 N -1.55 2.07 0.00 -1.34 8.00 -1.26 -4.22 116.55 118.25 3gix n ASP 64 Ca 0.04 -1.70 0.00 0.00 0.71 0.00 0.00 54.79 53.84 3gix n ASP 64 Cb 0.18 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.26 3gix n ASP 64 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gix n GLN 65 N 0.61 2.30 -3.70 -1.24 6.02 -1.05 -5.04 117.38 115.29 3gix n GLN 65 Ca 0.17 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 57.02 3gix n GLN 65 Cb 0.44 -0.77 -0.09 0.00 1.02 0.00 0.00 30.24 30.84 3gix n GLN 65 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 3gix s THR 66 N -1.37 0.01 0.00 5.09 2.01 -1.01 -4.69 115.64 115.68 3gix s THR 66 Ca 0.00 -0.09 0.00 0.00 0.31 0.00 0.00 61.69 61.91 3gix s THR 66 Cb 0.00 -0.68 0.00 0.00 0.01 0.00 0.00 72.50 71.83 3gix s THR 66 CO 0.00 -0.05 0.00 0.00 -0.69 0.00 0.00 174.62 173.88 3gix n ALA 67 N 2.35 0.01 -0.07 7.40 0.00 -1.26 -4.13 120.51 124.80 3gix n ALA 67 Ca -0.15 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.21 3gix n ALA 67 Cb 0.57 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.01 3gix n ALA 67 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 3gix h VAL 68 N 0.00 0.41 -0.10 0.00 3.04 -1.97 -1.52 116.25 116.12 3gix h VAL 68 Ca 0.00 0.00 -0.08 0.00 -1.01 0.00 0.00 66.70 65.61 3gix h VAL 68 Cb 0.00 0.41 -0.01 0.00 -2.01 0.00 0.00 31.29 29.68 3gix h VAL 68 CO 0.00 0.00 -0.31 1.88 -1.01 0.00 0.00 177.57 178.13 3gix h TYR 69 N -0.20 0.20 -0.55 3.17 0.05 -1.98 -2.00 116.97 115.66 3gix h TYR 69 Ca 0.15 -0.04 -0.02 0.00 0.05 0.00 0.00 58.73 58.87 3gix h TYR 69 Cb 0.44 -0.05 -0.03 0.00 1.01 0.00 0.00 36.73 38.10 3gix h TYR 69 CO -0.40 0.48 0.28 1.79 -1.05 0.00 0.00 178.16 179.26 3gix h THR 70 N 0.16 1.19 -0.50 -2.88 1.35 -1.60 -1.03 112.91 109.60 3gix h THR 70 Ca 0.02 -0.52 -0.06 0.00 -0.55 0.00 0.00 66.41 65.30 3gix h THR 70 Cb 0.64 0.53 -0.02 0.00 -1.73 0.00 0.00 68.15 67.57 3gix h THR 70 CO 0.05 0.21 0.09 -0.61 -0.25 0.00 0.00 175.52 175.01 3gix h GLN 71 N 0.74 0.83 -0.91 4.72 4.15 -1.28 -1.07 115.11 122.29 3gix h GLN 71 Ca 0.19 -0.22 0.02 0.00 0.77 0.00 0.00 58.65 59.41 3gix h GLN 71 Cb 0.09 -0.10 -0.05 0.00 0.21 0.00 0.00 27.48 27.63 3gix h GLN 71 CO -0.03 0.82 0.60 -0.92 -1.93 0.00 0.00 178.83 177.37 3gix h TYR 72 N 0.71 1.12 -0.56 3.99 3.20 -0.98 -1.52 116.97 122.92 3gix h TYR 72 Ca 0.15 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.05 3gix h TYR 72 Cb 0.39 -0.38 0.00 0.00 1.54 0.00 0.00 36.73 38.29 3gix h TYR 72 CO 0.03 0.67 0.00 1.19 -1.64 0.00 0.00 178.16 178.41 3gix n PHE 73 N -4.42 1.08 -3.76 -3.82 0.99 -0.42 -4.95 117.46 102.15 3gix n PHE 73 Ca 0.11 -0.46 -0.23 0.00 -0.00 0.00 0.00 57.45 56.87 3gix n PHE 73 Cb 0.06 -0.13 0.03 0.00 -1.00 0.00 0.00 39.48 38.44 3gix n PHE 73 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 3gix n ASP 74 N 1.03 -1.72 -4.65 4.37 4.64 -0.57 -4.92 116.55 114.73 3gix n ASP 74 Ca 0.21 -0.83 -0.41 0.00 -1.38 0.00 0.00 54.79 52.38 3gix n ASP 74 Cb 0.66 -3.94 -0.05 0.00 -1.04 0.00 0.00 41.12 36.76 3gix n ASP 74 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 3gix s ILE 75 N -3.63 4.93 -0.06 5.18 1.01 -0.46 -4.87 121.20 123.30 3gix s ILE 75 Ca 0.12 1.37 0.05 0.00 0.00 0.00 0.00 60.65 62.20 3gix s ILE 75 Cb -0.06 -4.03 -0.08 0.00 0.01 0.00 0.00 42.46 38.30 3gix s ILE 75 CO 0.82 0.02 0.14 -1.54 0.00 0.00 0.00 174.94 174.38 3gix n SER 76 N 5.55 2.96 -4.02 3.58 3.41 -1.26 -4.81 113.62 119.04 3gix n SER 76 Ca 0.02 -0.14 -0.18 0.00 -0.26 0.00 0.00 58.87 58.31 3gix n SER 76 Cb 0.49 1.19 -0.15 0.00 -0.26 0.00 0.00 64.21 65.48 3gix n SER 76 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 3gix s TYR 77 N -2.18 0.76 0.16 7.33 2.02 -1.26 -5.15 117.35 119.03 3gix s TYR 77 Ca -0.01 -0.15 0.10 0.00 -0.37 0.00 0.00 57.07 56.64 3gix s TYR 77 Cb 0.04 -0.49 -0.04 0.00 -0.40 0.00 0.00 41.96 41.06 3gix s TYR 77 CO 0.22 -0.01 -0.19 0.96 -1.57 0.00 0.00 175.55 174.96 3gix s ILE 78 N -0.23 2.70 0.56 2.71 -4.36 -1.26 -3.78 121.20 117.53 3gix s ILE 78 Ca 0.03 -1.76 -0.19 0.00 -0.26 0.00 0.00 60.65 58.47 3gix s ILE 78 Cb -0.03 -2.28 -0.05 0.00 1.25 0.00 0.00 42.46 41.34 3gix s ILE 78 CO -0.00 -0.03 1.11 -2.16 0.24 0.00 0.00 174.94 174.10 3gix s PRO 79 N -2.50 3.32 -0.07 0.37 0.04 -1.26 -4.85 135.00 130.05 3gix s PRO 79 Ca 0.20 1.53 0.02 0.00 0.04 0.00 0.00 61.00 62.80 3gix s PRO 79 Cb -0.09 -2.01 0.01 0.00 0.04 0.00 0.00 34.50 32.45 3gix s PRO 79 CO 0.11 -0.86 -0.14 -1.12 0.04 0.00 0.00 177.00 175.02 3gix s SER 80 N -1.96 2.04 -0.12 6.66 0.01 -0.61 -1.06 113.70 118.67 3gix s SER 80 Ca 0.71 -0.35 0.01 0.00 1.31 0.00 0.00 55.95 57.63 3gix s SER 80 Cb -0.22 -0.94 -0.01 0.00 0.21 0.00 0.00 66.02 65.06 3gix s SER 80 CO 0.29 0.05 -0.16 -0.89 0.41 0.00 0.00 173.24 172.94 3gix s THR 81 N 0.66 2.80 0.11 1.44 2.01 0.03 -0.35 115.64 122.34 3gix s THR 81 Ca -0.14 -0.76 0.09 0.00 0.31 0.00 0.00 61.69 61.19 3gix s THR 81 Cb -0.16 -2.15 -0.04 0.00 0.01 0.00 0.00 72.50 70.16 3gix s THR 81 CO 0.04 0.54 -0.24 0.68 -0.69 0.00 0.00 174.62 174.95 3gix s VAL 82 N 0.28 1.95 -0.05 3.82 -7.23 -0.28 -0.88 120.40 118.01 3gix s VAL 82 Ca -0.11 -1.60 0.05 0.00 -1.81 0.00 0.00 61.98 58.51 3gix s VAL 82 Cb -0.16 -1.74 -0.02 0.00 0.56 0.00 0.00 36.38 35.02 3gix s VAL 82 CO 0.06 0.04 -0.20 -0.36 -0.31 0.00 0.00 175.10 174.34 3gix s PHE 83 N -1.07 2.54 0.13 2.82 0.40 -1.26 -1.07 117.98 120.47 3gix s PHE 83 Ca 0.10 -0.37 0.04 0.00 -0.60 0.00 0.00 56.93 56.10 3gix s PHE 83 Cb -0.10 -1.59 -0.04 0.00 0.51 0.00 0.00 43.02 41.80 3gix s PHE 83 CO 0.05 0.02 -0.11 -0.06 0.70 0.00 0.00 175.22 175.82 3gix s PHE 84 N -0.53 1.21 -0.11 0.36 0.40 -0.21 -0.87 117.98 118.23 3gix s PHE 84 Ca 0.07 -0.71 -0.04 0.00 -0.60 0.00 0.00 56.93 55.65 3gix s PHE 84 Cb -0.11 -0.63 0.06 0.00 0.51 0.00 0.00 43.02 42.84 3gix s PHE 84 CO 0.01 0.06 0.23 0.12 0.70 0.00 0.00 175.22 176.33 3gix s PHE 85 N -2.94 -0.33 -1.49 0.36 2.19 0.47 -0.80 117.98 115.45 3gix s PHE 85 Ca 0.12 0.83 -0.09 0.00 0.33 0.00 0.00 56.93 58.13 3gix s PHE 85 Cb 0.00 -0.10 0.06 0.00 -1.31 0.00 0.00 43.02 41.67 3gix s PHE 85 CO 0.01 -0.31 0.77 0.09 1.83 0.00 0.00 175.22 177.60 3gix n ASN 86 N 5.20 -2.79 0.00 6.13 3.02 -1.26 -1.69 115.26 123.87 3gix n ASN 86 Ca -0.08 -0.88 0.00 0.00 -0.03 0.00 0.00 54.58 53.59 3gix n ASN 86 Cb 0.50 -3.56 0.00 0.00 -0.61 0.00 0.00 39.78 36.11 3gix n ASN 86 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gix n GLY 87 N -1.67 1.18 3.50 7.41 0.00 -1.24 -5.02 105.19 109.34 3gix n GLY 87 Ca -0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.57 3gix n GLY 87 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gix s GLN 88 N -0.35 3.71 0.34 1.61 -0.21 -0.68 -5.01 119.66 119.07 3gix s GLN 88 Ca 0.00 -0.47 -0.29 0.00 0.02 0.00 0.00 55.36 54.62 3gix s GLN 88 Cb 0.00 -3.14 -0.11 0.00 1.00 0.00 0.00 33.01 30.76 3gix s GLN 88 CO 0.00 0.06 1.53 -1.58 -2.12 0.00 0.00 175.29 173.18 3gix s HIS 89 N 0.90 2.66 -0.10 0.91 5.65 -1.26 -0.39 115.29 123.65 3gix s HIS 89 Ca 0.02 1.02 -0.02 0.00 0.25 0.00 0.00 55.06 56.33 3gix s HIS 89 Cb -0.14 -4.04 -0.03 0.00 -1.18 0.00 0.00 32.58 27.19 3gix s HIS 89 CO 0.02 -3.21 -0.01 -1.64 -0.65 0.00 0.00 174.74 169.25 3gix s MET 90 N -1.46 3.09 0.12 2.88 1.00 -0.05 -4.86 119.30 120.03 3gix s MET 90 Ca 0.57 -0.44 0.02 0.00 0.00 0.00 0.00 55.69 55.83 3gix s MET 90 Cb -0.47 -2.80 -0.04 0.00 0.00 0.00 0.00 34.83 31.53 3gix s MET 90 CO 0.57 0.61 0.26 0.15 0.00 0.00 0.00 175.02 176.62 3gix s LYS 91 N -0.63 3.44 -0.04 2.03 1.02 0.01 -4.50 119.74 121.06 3gix s LYS 91 Ca 0.10 -0.55 0.00 0.00 0.02 0.00 0.00 55.97 55.54 3gix s LYS 91 Cb -0.12 -2.99 0.03 0.00 -0.52 0.00 0.00 37.83 34.23 3gix s LYS 91 CO 0.02 0.54 -0.01 0.08 -0.92 0.00 0.00 175.35 175.06 3gix s VAL 92 N -1.68 0.35 -0.57 3.17 1.01 -0.29 -1.71 120.40 120.67 3gix s VAL 92 Ca 0.35 0.02 -0.23 0.00 0.00 0.00 0.00 61.98 62.12 3gix s VAL 92 Cb -0.12 -0.43 0.05 0.00 0.00 0.00 0.00 36.38 35.89 3gix s VAL 92 CO 0.28 0.20 0.88 -0.62 0.00 0.00 0.00 175.10 175.84 3gix s ASP 93 N 1.20 6.27 0.00 3.32 2.15 -0.33 -4.26 116.67 125.02 3gix s ASP 93 Ca -0.07 -0.66 0.28 0.00 0.43 0.00 0.00 52.55 52.53 3gix s ASP 93 Cb -0.14 -2.40 1.14 0.00 -0.30 0.00 0.00 42.92 41.23 3gix s ASP 93 CO -0.02 -1.21 1.82 -1.22 -0.17 0.00 0.00 175.17 174.37 3gix n TYR 94 N 7.23 0.00 0.00 -5.34 4.02 -1.26 -1.32 117.16 120.49 3gix n TYR 94 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.87 3gix n TYR 94 Cb 0.46 -0.25 0.00 0.00 -0.02 0.00 0.00 39.34 39.53 3gix n TYR 94 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3gix n GLY 95 N 1.35 0.39 3.80 2.72 0.00 -1.26 -4.82 105.19 107.37 3gix n GLY 95 Ca 0.12 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.92 3gix n GLY 95 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gix s SER 96 N -2.64 4.90 0.39 1.61 1.04 -1.26 -5.04 113.70 112.69 3gix s SER 96 Ca 0.00 -0.74 0.14 0.00 0.48 0.00 0.00 55.95 55.84 3gix s SER 96 Cb 0.00 -0.71 0.80 0.00 0.10 0.00 0.00 66.02 66.21 3gix s SER 96 CO 0.00 -0.44 1.86 -0.65 0.98 0.00 0.00 173.24 174.98 3gix h PRO 97 N 1.31 0.00 -5.29 4.02 0.11 -2.00 -3.41 132.00 126.75 3gix h PRO 97 Ca -0.43 0.00 -0.66 0.00 0.11 0.00 0.00 66.00 65.02 3gix h PRO 97 Cb 1.26 0.00 -0.16 0.00 0.11 0.00 0.00 31.00 32.21 3gix h PRO 97 CO 0.61 0.33 0.04 0.34 -0.21 0.00 0.00 178.00 179.12 3gix s ASP 98 N -6.84 6.30 0.00 -2.05 3.68 -1.26 -4.88 116.67 111.62 3gix s ASP 98 Ca -0.03 -0.33 0.26 0.00 2.13 0.00 0.00 52.55 54.58 3gix s ASP 98 Cb 0.14 -2.29 0.60 0.00 -1.45 0.00 0.00 42.92 39.92 3gix s ASP 98 CO 0.71 -0.69 1.47 1.41 0.13 0.00 0.00 175.17 178.20 3gix n HIS 99 N 6.05 0.00 0.15 -5.34 8.25 -1.26 -4.43 115.22 118.65 3gix n HIS 99 Ca -0.03 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.46 3gix n HIS 99 Cb 0.48 -0.11 0.16 0.00 1.12 0.00 0.00 29.99 31.64 3gix n HIS 99 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 3gix h THR 100 N 1.29 0.95 -2.52 1.59 2.02 -1.89 -0.77 112.91 113.58 3gix h THR 100 Ca 0.00 -2.01 -0.07 0.00 0.77 0.00 0.00 66.41 65.11 3gix h THR 100 Cb 0.54 2.23 -0.18 0.00 -1.74 0.00 0.00 68.15 69.01 3gix h THR 100 CO 0.00 0.48 0.06 -1.59 0.37 0.00 0.00 175.52 174.84 3gix s LYS 101 N -3.24 1.00 -0.18 6.66 -2.85 -1.26 -4.69 119.74 115.18 3gix s LYS 101 Ca 0.02 -0.05 -0.16 0.00 -1.00 0.00 0.00 55.97 54.78 3gix s LYS 101 Cb 0.09 0.46 -0.04 0.00 -2.06 0.00 0.00 37.83 36.28 3gix s LYS 101 CO 0.72 -0.34 0.38 0.12 0.10 0.00 0.00 175.35 176.34 3gix s PHE 102 N -1.85 3.41 -0.23 1.78 2.19 -0.06 -4.91 117.98 118.30 3gix s PHE 102 Ca -0.08 0.63 -0.07 0.00 0.33 0.00 0.00 56.93 57.74 3gix s PHE 102 Cb -0.01 -2.49 -0.03 0.00 -1.31 0.00 0.00 43.02 39.19 3gix s PHE 102 CO 0.03 0.06 0.05 0.08 1.83 0.00 0.00 175.22 177.27 3gix s VAL 103 N 1.06 4.19 0.00 3.12 1.01 -1.26 -0.79 120.40 127.73 3gix s VAL 103 Ca 0.19 -0.22 0.00 0.00 0.00 0.00 0.00 61.98 61.95 3gix s VAL 103 Cb -0.14 -2.94 0.00 0.00 0.00 0.00 0.00 36.38 33.30 3gix s VAL 103 CO 0.07 0.37 0.00 0.61 0.00 0.00 0.00 175.10 176.15 3gix n GLY 104 N 4.71 -1.82 3.77 4.51 0.00 -0.22 -4.65 105.19 111.49 3gix n GLY 104 Ca -0.17 -1.94 -0.29 0.00 0.00 0.00 0.00 46.02 43.62 3gix n GLY 104 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3gix s SER 105 N -4.00 5.44 0.41 1.61 0.15 -1.26 -4.77 113.70 111.28 3gix s SER 105 Ca 0.00 -0.08 -0.25 0.00 0.70 0.00 0.00 55.95 56.32 3gix s SER 105 Cb 0.00 -1.42 -0.08 0.00 -1.71 0.00 0.00 66.02 62.81 3gix s SER 105 CO 0.00 0.14 1.20 -0.36 1.20 0.00 0.00 173.24 175.42 3gix s PHE 106 N -1.49 2.99 0.17 3.44 0.40 -1.26 -4.61 117.98 117.62 3gix s PHE 106 Ca 0.29 1.52 -0.04 0.00 -0.60 0.00 0.00 56.93 58.10 3gix s PHE 106 Cb -0.11 -3.46 0.06 0.00 0.51 0.00 0.00 43.02 40.02 3gix s PHE 106 CO 0.22 -1.51 1.46 -0.22 0.70 0.00 0.00 175.22 175.86 3gix h LYS 107 N 2.59 0.55 -4.13 0.44 3.64 -2.00 -3.46 116.57 114.20 3gix h LYS 107 Ca -0.49 -0.39 -0.13 0.00 -1.27 0.00 0.00 60.65 58.37 3gix h LYS 107 Cb 1.24 0.06 -0.16 0.00 -0.41 0.00 0.00 32.23 32.96 3gix h LYS 107 CO 0.62 1.01 -0.66 0.95 -2.27 0.00 0.00 179.45 179.10 3gix s THR 108 N -3.86 0.19 0.48 1.00 -4.23 -1.26 -5.04 115.64 102.91 3gix s THR 108 Ca -0.07 -1.53 0.15 0.00 -1.18 0.00 0.00 61.69 59.05 3gix s THR 108 Cb 0.11 -1.20 0.23 0.00 1.34 0.00 0.00 72.50 72.98 3gix s THR 108 CO 0.85 -0.85 2.07 0.07 -0.54 0.00 0.00 174.62 176.22 3gix h LYS 109 N 3.48 0.03 -0.17 3.99 2.10 -1.94 -2.61 116.57 121.46 3gix h LYS 109 Ca -0.33 -0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.23 3gix h LYS 109 Cb 1.16 -0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 32.47 3gix h LYS 109 CO 0.59 0.11 -0.25 0.37 -2.00 0.00 0.00 179.45 178.27 3gix h GLN 110 N 0.03 0.31 -0.66 0.07 5.75 -1.99 -1.32 115.11 117.31 3gix h GLN 110 Ca 0.01 -0.11 0.01 0.00 -0.15 0.00 0.00 58.65 58.41 3gix h GLN 110 Cb 0.15 -0.02 -0.03 0.00 1.07 0.00 0.00 27.48 28.65 3gix h GLN 110 CO 0.01 0.54 0.43 -0.44 -2.65 0.00 0.00 178.83 176.73 3gix h ASP 111 N 0.28 0.76 -0.33 -0.69 3.45 -1.88 0.40 116.42 118.41 3gix h ASP 111 Ca 0.04 -0.02 -0.07 0.00 0.43 0.00 0.00 57.03 57.41 3gix h ASP 111 Cb 0.59 -0.19 -0.01 0.00 -0.56 0.00 0.00 39.33 39.16 3gix h ASP 111 CO 0.04 0.56 -0.06 0.15 -1.57 0.00 0.00 179.24 178.36 3gix h PHE 112 N 0.89 0.69 -0.06 4.55 3.57 -1.33 -1.60 116.94 123.65 3gix h PHE 112 Ca 0.24 -0.14 0.03 0.00 3.53 0.00 0.00 57.97 61.63 3gix h PHE 112 Cb -0.10 -0.17 -0.04 0.00 2.79 0.00 0.00 35.95 38.44 3gix h PHE 112 CO -0.03 0.77 -0.15 0.82 -2.23 0.00 0.00 178.31 177.50 3gix h ILE 113 N 0.40 0.62 -0.88 1.41 2.04 -1.05 -0.14 117.51 119.91 3gix h ILE 113 Ca 0.09 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.97 3gix h ILE 113 Cb 0.54 0.62 -0.05 0.00 -0.74 0.00 0.00 36.82 37.19 3gix h ILE 113 CO 0.03 0.00 0.58 0.44 0.00 0.00 0.00 178.15 179.20 3gix h ASP 114 N -0.22 0.97 -0.01 1.72 3.32 -0.83 -1.11 116.42 120.27 3gix h ASP 114 Ca 0.07 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.10 3gix h ASP 114 Cb 0.31 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.63 3gix h ASP 114 CO -0.19 0.68 0.00 0.25 -1.72 0.00 0.00 179.24 178.27 3gix h LEU 115 N 1.14 0.02 -1.12 1.55 5.85 -0.94 -2.32 115.31 119.49 3gix h LEU 115 Ca 0.34 -0.19 0.03 0.00 0.84 0.00 0.00 57.88 58.89 3gix h LEU 115 Cb -0.05 -0.00 -0.05 0.00 0.37 0.00 0.00 40.66 40.93 3gix h LEU 115 CO -0.09 0.21 0.60 0.40 -0.34 0.00 0.00 178.44 179.22 3gix h ILE 116 N -0.17 1.17 -0.39 4.05 1.08 -0.68 -0.36 117.51 122.21 3gix h ILE 116 Ca 0.00 -0.40 -0.09 0.00 -0.39 0.00 0.00 64.86 63.98 3gix h ILE 116 Cb 0.20 -0.09 -0.02 0.00 -3.07 0.00 0.00 36.82 33.83 3gix h ILE 116 CO -0.00 0.21 -0.14 -0.08 -0.69 0.00 0.00 178.15 177.46 3gix h GLU 117 N 1.17 0.71 -0.41 2.37 4.57 -1.03 0.14 114.58 122.09 3gix h GLU 117 Ca 0.36 -0.24 -0.08 0.00 -1.18 0.00 0.00 59.36 58.22 3gix h GLU 117 Cb -0.02 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.50 3gix h GLU 117 CO -0.10 0.81 -0.05 0.28 -1.18 0.00 0.00 179.01 178.77 3gix h VAL 118 N 0.64 1.27 -0.35 0.32 2.07 -0.84 -1.75 116.25 117.61 3gix h VAL 118 Ca 0.11 -1.11 -0.02 0.00 0.82 0.00 0.00 66.70 66.50 3gix h VAL 118 Cb 0.60 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 3gix h VAL 118 CO 0.04 0.38 0.16 0.40 0.02 0.00 0.00 177.57 178.56 3gix h ILE 119 N 0.58 1.17 0.02 4.57 2.04 -0.75 -1.25 117.51 123.89 3gix h ILE 119 Ca 0.11 -0.51 -0.00 0.00 1.00 0.00 0.00 64.86 65.46 3gix h ILE 119 Cb 0.56 0.86 0.00 0.00 -0.74 0.00 0.00 36.82 37.50 3gix h ILE 119 CO 0.03 0.19 -0.01 0.22 0.00 0.00 0.00 178.15 178.58 3gix h TYR 120 N 0.42 -0.03 -0.61 1.37 3.20 -0.72 0.61 116.97 121.22 3gix h TYR 120 Ca 0.12 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.99 3gix h TYR 120 Cb 0.15 0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.40 3gix h TYR 120 CO -0.01 0.06 0.38 -0.09 -1.64 0.00 0.00 178.16 176.86 3gix h ARG 121 N -0.11 0.82 -0.50 1.82 2.43 -1.24 -0.38 114.38 117.21 3gix h ARG 121 Ca -0.00 -0.06 -0.07 0.00 -0.81 0.00 0.00 59.98 59.03 3gix h ARG 121 Cb 0.10 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.45 3gix h ARG 121 CO 0.01 0.57 0.03 0.78 -1.51 0.00 0.00 179.97 179.85 3gix h GLY 122 N 0.83 0.94 1.20 2.80 0.00 -1.07 -2.29 103.07 105.47 3gix h GLY 122 Ca 0.22 -0.66 -0.06 0.00 0.00 0.00 0.00 47.33 46.83 3gix h GLY 122 CO -0.04 0.61 0.16 0.00 0.00 0.00 0.00 176.54 177.27 3gix h ALA 123 N 0.95 1.08 0.00 3.60 0.00 -0.62 -0.27 119.26 124.00 3gix h ALA 123 Ca 0.15 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 3gix h ALA 123 Cb 0.47 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 3gix h ALA 123 CO 0.02 0.61 -0.12 0.52 0.00 0.00 0.00 179.25 180.28 3gix h MET 124 N 0.95 0.00 -0.33 0.00 2.07 -0.87 -1.01 114.93 115.74 3gix h MET 124 Ca 0.20 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.83 3gix h MET 124 Cb 0.33 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.06 3gix h MET 124 CO -0.00 0.12 0.00 0.54 1.07 0.00 0.00 176.91 178.64 3gix n ARG 125 N -3.90 1.92 -0.49 1.72 1.74 -0.68 -4.93 116.66 112.04 3gix n ARG 125 Ca -0.02 -1.41 0.00 0.00 -0.77 0.00 0.00 57.85 55.65 3gix n ARG 125 Cb 0.22 -1.36 0.00 0.00 -1.02 0.00 0.00 32.46 30.30 3gix n ARG 125 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3gix n GLY 126 N 1.17 0.75 3.81 -0.13 0.00 -0.38 -5.07 105.19 105.34 3gix n GLY 126 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 3gix n GLY 126 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gix s LYS 127 N -0.51 3.44 -0.00 1.61 1.02 -0.20 -4.98 119.74 120.12 3gix s LYS 127 Ca 0.00 1.15 0.02 0.00 0.02 0.00 0.00 55.97 57.17 3gix s LYS 127 Cb 0.00 -2.05 -0.03 0.00 -0.52 0.00 0.00 37.83 35.22 3gix s LYS 127 CO 0.00 -0.71 0.08 1.28 -0.92 0.00 0.00 175.35 175.08 3gix n LEU 128 N -1.95 0.05 -4.06 3.17 4.77 -1.26 -4.08 117.00 113.63 3gix n LEU 128 Ca 0.08 -0.21 -0.22 0.00 -0.03 0.00 0.00 56.01 55.63 3gix n LEU 128 Cb 0.53 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.47 3gix n LEU 128 CO 0.47 0.01 -0.46 -0.51 -1.33 0.00 0.00 177.39 175.57 3gix s ILE 129 N -1.77 1.01 0.20 -0.08 2.07 -1.26 -0.81 121.20 120.56 3gix s ILE 129 Ca -0.00 -0.51 0.04 0.00 -1.41 0.00 0.00 60.65 58.77 3gix s ILE 129 Cb 0.02 -0.87 -0.05 0.00 0.13 0.00 0.00 42.46 41.69 3gix s ILE 129 CO 0.10 0.30 -0.05 0.68 -1.91 0.00 0.00 174.94 174.06 3gix s VAL 130 N -0.04 1.13 -0.19 4.00 -7.23 -0.69 -4.97 120.40 112.40 3gix s VAL 130 Ca -0.00 -2.05 -0.19 0.00 -1.81 0.00 0.00 61.98 57.93 3gix s VAL 130 Cb -0.08 -2.14 -0.03 0.00 0.56 0.00 0.00 36.38 34.69 3gix s VAL 130 CO 0.00 -0.50 0.54 -1.58 -0.31 0.00 0.00 175.10 173.25 3gix s GLN 131 N -3.81 4.21 0.38 4.82 0.74 -1.26 -1.18 119.66 123.56 3gix s GLN 131 Ca 0.24 0.46 -0.28 0.00 0.05 0.00 0.00 55.36 55.83 3gix s GLN 131 Cb 0.04 -3.55 -0.11 0.00 1.10 0.00 0.00 33.01 30.49 3gix s GLN 131 CO 0.05 -0.14 1.48 0.45 -0.55 0.00 0.00 175.29 176.59 3gix s SER 132 N 1.12 6.30 0.00 6.67 0.15 -0.44 -4.89 113.70 122.61 3gix s SER 132 Ca 0.25 3.05 0.27 0.00 0.70 0.00 0.00 55.95 60.22 3gix s SER 132 Cb -0.15 -2.67 0.82 0.00 -1.71 0.00 0.00 66.02 62.31 3gix s SER 132 CO 0.10 -0.91 1.61 -0.81 1.20 0.00 0.00 173.24 174.43 3gix n PRO 133 N 0.40 1.05 -2.57 5.44 -0.04 -1.26 -4.94 135.00 133.08 3gix n PRO 133 Ca 0.01 -0.62 -0.41 0.00 -0.04 0.00 0.00 63.50 62.44 3gix n PRO 133 Cb 0.39 -1.49 -0.04 0.00 -0.04 0.00 0.00 33.50 32.33 3gix n PRO 133 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3gix s ILE 134 N -2.37 4.03 0.21 0.52 1.01 -1.26 -4.95 121.20 118.38 3gix s ILE 134 Ca 0.28 1.73 -0.31 0.00 0.00 0.00 0.00 60.65 62.35 3gix s ILE 134 Cb 0.20 -4.11 -0.11 0.00 0.01 0.00 0.00 42.46 38.45 3gix s ILE 134 CO 0.47 0.29 1.61 -0.62 0.00 0.00 0.00 174.94 176.69 3gix s ASP 135 N -0.08 6.49 0.58 3.58 -1.08 -1.26 -4.84 116.67 120.06 3gix s ASP 135 Ca 0.49 2.76 0.29 0.00 -0.52 0.00 0.00 52.55 55.57 3gix s ASP 135 Cb -0.28 -2.60 1.45 0.00 -1.46 0.00 0.00 42.92 40.03 3gix s ASP 135 CO 0.33 -0.88 1.86 -0.65 0.52 0.00 0.00 175.17 176.36 3gix h PRO 136 N 6.34 0.00 0.00 4.34 0.11 -1.92 0.16 132.00 141.02 3gix h PRO 136 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3gix h PRO 136 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3gix h PRO 136 CO 0.90 0.00 0.00 1.57 -0.21 0.00 0.00 178.00 180.26 3gix h LYS 137 N 0.00 0.00 -0.13 1.05 2.10 -1.99 -2.12 116.57 115.49 3gix h LYS 137 Ca 0.28 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.93 3gix h LYS 137 Cb 1.39 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.72 3gix h LYS 137 CO -0.00 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.54 3gix n ASN 138 N -3.01 2.93 -4.62 7.07 4.13 0.56 -4.89 115.26 117.44 3gix n ASN 138 Ca -0.02 -1.90 -0.40 0.00 1.68 0.00 0.00 54.58 53.93 3gix n ASN 138 Cb 0.09 -0.07 -0.07 0.00 -1.54 0.00 0.00 39.78 38.19 3gix n ASN 138 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3gix s ILE 139 N -1.65 5.05 0.23 2.41 -1.09 -0.80 -4.19 121.20 121.16 3gix s ILE 139 Ca 0.28 0.90 -0.31 0.00 -2.23 0.00 0.00 60.65 59.29 3gix s ILE 139 Cb 0.19 -3.86 -0.14 0.00 -1.58 0.00 0.00 42.46 37.07 3gix s ILE 139 CO 0.27 0.05 1.40 -2.65 -1.23 0.00 0.00 174.94 172.78 3gix n PRO 140 N 5.59 1.99 -4.87 2.79 -0.02 -1.26 -4.98 135.00 134.24 3gix n PRO 140 Ca -0.03 0.71 -0.33 0.00 -2.02 0.00 0.00 63.50 61.83 3gix n PRO 140 Cb 0.50 -2.36 -0.14 0.00 -0.02 0.00 0.00 33.50 31.47 3gix n PRO 140 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3gix s LYS 141 N -0.37 3.13 0.00 -0.52 1.02 -1.26 -5.00 119.74 116.74 3gix s LYS 141 Ca 0.69 -0.72 0.00 0.00 0.02 0.00 0.00 55.97 55.96 3gix s LYS 141 Cb -0.66 -2.52 0.00 0.00 -0.52 0.00 0.00 37.83 34.13 3gix s LYS 141 CO 0.49 0.30 0.00 0.66 -0.92 0.00 0.00 175.35 175.89