#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1km7 h GLU 19 N 0.00 1.06 -0.01 1.61 5.08 -2.04 -1.07 114.58 119.21 1km7 h GLU 19 Ca 0.00 -0.06 -0.20 0.00 -1.00 0.00 0.00 59.36 58.10 1km7 h GLU 19 Cb 0.00 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.00 1km7 h GLU 19 CO 0.00 0.70 -0.86 -0.22 -1.00 0.00 0.00 179.01 177.62 1km7 h LYS 20 N 1.09 0.27 -0.16 2.33 1.63 -2.02 -2.66 116.57 117.04 1km7 h LYS 20 Ca 0.30 -0.27 -0.06 0.00 -0.85 0.00 0.00 60.65 59.77 1km7 h LYS 20 Cb -0.10 0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 31.59 1km7 h LYS 20 CO -0.07 0.98 -0.16 0.82 -3.45 0.00 0.00 179.45 177.57 1km7 h ILE 21 N 0.15 1.20 0.00 2.00 5.03 -1.80 -2.29 117.51 121.80 1km7 h ILE 21 Ca -0.05 -0.89 -0.19 0.00 -0.12 0.00 0.00 64.86 63.62 1km7 h ILE 21 Cb 1.48 1.25 -0.03 0.00 -3.03 0.00 0.00 36.82 36.50 1km7 h ILE 21 CO 0.14 0.28 -0.93 0.03 -0.68 0.00 0.00 178.15 176.98 1km7 h ARG 22 N 0.25 0.00 -0.38 2.37 2.47 -1.18 0.41 114.38 118.32 1km7 h ARG 22 Ca 0.05 0.00 -0.05 0.00 -1.26 0.00 0.00 59.98 58.72 1km7 h ARG 22 Cb 0.43 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.74 1km7 h ARG 22 CO 0.03 0.80 0.05 0.87 0.56 0.00 0.00 179.97 182.28 1km7 h LYS 23 N 0.00 0.63 0.14 0.04 1.57 -1.08 -1.06 116.57 116.82 1km7 h LYS 23 Ca -0.03 -0.17 -0.31 0.00 -1.87 0.00 0.00 60.65 58.26 1km7 h LYS 23 Cb 1.67 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.91 1km7 h LYS 23 CO 0.11 0.70 -1.55 0.87 -0.57 0.00 0.00 179.45 179.00 1km7 h LYS 24 N 0.47 0.30 -2.38 3.15 1.57 -1.49 -3.40 116.57 114.79 1km7 h LYS 24 Ca 0.11 -0.51 -0.64 0.00 -1.87 0.00 0.00 60.65 57.74 1km7 h LYS 24 Cb 0.38 0.19 -0.39 0.00 0.08 0.00 0.00 32.23 32.48 1km7 h LYS 24 CO 0.01 1.25 -0.35 0.66 -0.57 0.00 0.00 179.45 180.45 1km7 n TYR 25 N -3.79 3.43 0.09 -1.35 4.01 0.14 -4.87 117.16 114.82 1km7 n TYR 25 Ca -0.25 -3.90 -0.02 0.00 -0.16 0.00 0.00 57.90 53.56 1km7 n TYR 25 Cb 0.97 -0.69 0.21 0.00 -0.31 0.00 0.00 39.34 39.52 1km7 n TYR 25 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1km7 h PRO 26 N 4.48 0.23 -0.52 -0.72 0.13 -1.34 -2.83 132.00 131.43 1km7 h PRO 26 Ca 0.20 -0.12 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 1km7 h PRO 26 Cb 0.66 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.79 1km7 h PRO 26 CO 0.92 0.64 0.00 -3.47 -0.23 0.00 0.00 178.00 175.85 1km7 n ASP 27 N -4.00 2.81 -4.97 1.44 2.03 -1.26 -4.93 116.55 107.67 1km7 n ASP 27 Ca -0.02 -2.10 -0.19 0.00 0.52 0.00 0.00 54.79 53.00 1km7 n ASP 27 Cb 0.50 -0.37 0.04 0.00 -0.72 0.00 0.00 41.12 40.57 1km7 n ASP 27 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1km7 s ARG 28 N -1.48 2.55 -0.32 -0.67 3.00 -1.07 -1.93 118.95 119.02 1km7 s ARG 28 Ca 0.33 -1.11 -0.01 0.00 0.00 0.00 0.00 55.73 54.93 1km7 s ARG 28 Cb 0.18 -2.61 0.11 0.00 0.00 0.00 0.00 34.95 32.64 1km7 s ARG 28 CO 0.20 -0.62 0.13 0.08 0.00 0.00 0.00 175.30 175.09 1km7 s VAL 29 N -2.62 0.64 -0.71 3.52 1.01 0.30 -4.69 120.40 117.85 1km7 s VAL 29 Ca 0.58 -1.41 -0.26 0.00 0.00 0.00 0.00 61.98 60.88 1km7 s VAL 29 Cb -0.09 -1.49 -0.00 0.00 0.00 0.00 0.00 36.38 34.80 1km7 s VAL 29 CO 0.37 -0.75 1.63 -2.16 0.00 0.00 0.00 175.10 174.20 1km7 s PRO 30 N 1.53 2.88 0.14 2.72 0.04 -1.26 -2.53 135.00 138.53 1km7 s PRO 30 Ca 0.11 0.12 -0.10 0.00 0.04 0.00 0.00 61.00 61.17 1km7 s PRO 30 Cb -0.18 -4.43 -0.06 0.00 0.04 0.00 0.00 34.50 29.86 1km7 s PRO 30 CO -0.22 -2.55 0.47 0.14 0.04 0.00 0.00 177.00 174.88 1km7 s VAL 31 N 7.71 5.00 -0.05 -0.36 -7.23 0.36 -2.68 120.40 123.15 1km7 s VAL 31 Ca 0.55 0.50 -0.06 0.00 -1.81 0.00 0.00 61.98 61.15 1km7 s VAL 31 Cb -0.10 -3.66 -0.04 0.00 0.56 0.00 0.00 36.38 33.14 1km7 s VAL 31 CO 0.15 0.15 0.20 -0.63 -0.31 0.00 0.00 175.10 174.66 1km7 s ILE 32 N -1.55 5.41 -0.04 -0.62 -1.09 0.11 -1.33 121.20 122.09 1km7 s ILE 32 Ca 0.39 0.14 0.07 0.00 -2.23 0.00 0.00 60.65 59.02 1km7 s ILE 32 Cb -0.13 -3.50 -0.02 0.00 -1.58 0.00 0.00 42.46 37.23 1km7 s ILE 32 CO 0.20 0.47 -0.25 -0.69 -1.23 0.00 0.00 174.94 173.44 1km7 s VAL 33 N -1.18 2.09 0.29 2.92 1.01 -0.01 -0.09 120.40 125.43 1km7 s VAL 33 Ca 0.22 -1.08 0.00 0.00 0.00 0.00 0.00 61.98 61.12 1km7 s VAL 33 Cb -0.13 -1.73 -0.00 0.00 0.00 0.00 0.00 36.38 34.52 1km7 s VAL 33 CO 0.12 0.58 0.36 1.21 0.00 0.00 0.00 175.10 177.37 1km7 n GLU 34 N 2.63 0.53 -4.44 2.72 2.13 0.16 -4.71 120.64 119.65 1km7 n GLU 34 Ca -0.17 -2.42 -0.24 0.00 0.66 0.00 0.00 57.16 54.99 1km7 n GLU 34 Cb 0.51 2.24 -0.09 0.00 0.27 0.00 0.00 31.44 34.37 1km7 n GLU 34 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 1km7 s LYS 35 N -2.77 1.84 1.29 5.31 2.47 -1.26 -2.13 119.74 124.49 1km7 s LYS 35 Ca 0.26 -1.74 -0.21 0.00 -1.56 0.00 0.00 55.97 52.73 1km7 s LYS 35 Cb -0.00 -1.84 0.32 0.00 -1.46 0.00 0.00 37.83 34.85 1km7 s LYS 35 CO 0.19 0.28 1.04 0.00 0.16 0.00 0.00 175.35 177.02 1km7 s ALA 36 N -2.50 0.03 -0.20 3.13 0.00 -0.74 -4.74 121.76 116.76 1km7 s ALA 36 Ca 0.31 -0.88 -0.29 0.00 0.00 0.00 0.00 51.96 51.10 1km7 s ALA 36 Cb -0.03 -2.91 -0.04 0.00 0.00 0.00 0.00 23.12 20.13 1km7 s ALA 36 CO 0.16 -4.01 1.82 -1.25 0.00 0.00 0.00 175.76 172.48 1km7 s PRO 37 N -5.25 3.65 -1.34 0.00 0.04 -1.26 -2.62 135.00 128.22 1km7 s PRO 37 Ca 0.70 1.85 -0.06 0.00 0.04 0.00 0.00 61.00 63.53 1km7 s PRO 37 Cb -0.11 -4.15 0.02 0.00 0.04 0.00 0.00 34.50 30.30 1km7 s PRO 37 CO 0.57 -1.49 1.04 1.63 0.04 0.00 0.00 177.00 178.79 1km7 n LYS 38 N 7.97 -6.82 -0.82 4.56 4.76 -1.26 -4.98 118.16 121.57 1km7 n LYS 38 Ca 0.22 0.77 -0.30 0.00 -2.87 0.00 0.00 58.31 56.13 1km7 n LYS 38 Cb 0.45 -5.73 0.25 0.00 -1.84 0.00 0.00 35.03 28.16 1km7 n LYS 38 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1km7 s ALA 39 N -3.37 0.10 -0.23 7.82 0.00 -1.08 -5.02 121.76 119.98 1km7 s ALA 39 Ca 0.36 -0.76 0.17 0.00 0.00 0.00 0.00 51.96 51.73 1km7 s ALA 39 Cb -0.17 -2.96 0.41 0.00 0.00 0.00 0.00 23.12 20.40 1km7 s ALA 39 CO 0.76 -3.86 1.27 2.89 0.00 0.00 0.00 175.76 176.82 1km7 n ARG 40 N -4.99 1.22 -1.99 0.00 1.85 -1.26 -5.02 116.66 106.46 1km7 n ARG 40 Ca 0.11 -2.21 -0.26 0.00 -1.00 0.00 0.00 57.85 54.49 1km7 n ARG 40 Cb 0.59 -0.43 0.17 0.00 -1.05 0.00 0.00 32.46 31.73 1km7 n ARG 40 CO 0.00 0.00 0.00 0.44 -0.01 0.00 0.00 177.63 178.06 1km7 n ILE 41 N -0.77 0.00 -0.16 8.89 -6.64 -1.26 -4.89 119.36 114.52 1km7 n ILE 41 Ca -0.06 -1.09 -0.16 0.00 -1.77 0.00 0.00 62.75 59.67 1km7 n ILE 41 Cb 0.86 -1.35 0.15 0.00 -1.44 0.00 0.00 39.64 37.86 1km7 n ILE 41 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1km7 n GLY 42 N -2.90 -3.76 3.65 3.28 0.00 -0.79 -5.00 105.19 99.66 1km7 n GLY 42 Ca 0.16 -1.28 -0.29 0.00 0.00 0.00 0.00 46.02 44.61 1km7 n GLY 42 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1km7 s ASP 43 N -2.59 1.84 -0.01 1.61 2.15 -1.24 -4.75 116.67 113.67 1km7 s ASP 43 Ca 0.34 0.89 0.02 0.00 0.43 0.00 0.00 52.55 54.23 1km7 s ASP 43 Cb -0.06 -1.34 -0.00 0.00 -0.30 0.00 0.00 42.92 41.22 1km7 s ASP 43 CO 0.29 -3.58 -0.06 -0.76 -0.17 0.00 0.00 175.17 170.88 1km7 s LEU 44 N -6.66 1.89 -0.09 -1.34 2.01 -1.25 -3.71 118.68 109.53 1km7 s LEU 44 Ca 0.68 -0.12 -0.13 0.00 0.01 0.00 0.00 54.13 54.57 1km7 s LEU 44 Cb -0.14 -0.36 -0.28 0.00 0.01 0.00 0.00 46.19 45.42 1km7 s LEU 44 CO 0.57 0.06 0.57 -0.78 1.01 0.00 0.00 176.35 177.77 1km7 h ASP 45 N 6.19 0.47 -5.07 2.29 1.82 -1.95 -3.49 116.42 116.69 1km7 h ASP 45 Ca -0.31 -0.89 -0.07 0.00 -0.39 0.00 0.00 57.03 55.37 1km7 h ASP 45 Cb 1.18 -0.15 -0.15 0.00 0.68 0.00 0.00 39.33 40.89 1km7 h ASP 45 CO 0.50 1.71 -0.11 -1.59 -1.61 0.00 0.00 179.24 178.13 1km7 s LYS 46 N -2.52 0.98 -0.40 0.28 0.00 -1.26 -5.07 119.74 111.76 1km7 s LYS 46 Ca -0.19 -0.59 0.05 0.00 0.00 0.00 0.00 55.97 55.25 1km7 s LYS 46 Cb 0.05 0.43 0.44 0.00 0.00 0.00 0.00 37.83 38.76 1km7 s LYS 46 CO 0.80 -0.36 1.30 1.63 0.00 0.00 0.00 175.35 178.72 1km7 n LYS 47 N 0.10 3.43 -3.18 1.78 4.01 -1.26 -4.93 118.16 118.11 1km7 n LYS 47 Ca -0.17 -4.13 0.02 0.00 -0.51 0.00 0.00 58.31 53.52 1km7 n LYS 47 Cb 0.62 -2.27 -0.02 0.00 -0.51 0.00 0.00 35.03 32.85 1km7 n LYS 47 CO 0.00 0.00 0.00 -1.59 -1.11 0.00 0.00 177.40 174.70 1km7 s LYS 48 N -3.63 0.53 -0.10 1.97 -2.85 -1.26 -0.83 119.74 113.57 1km7 s LYS 48 Ca 0.52 0.84 -0.03 0.00 -1.00 0.00 0.00 55.97 56.30 1km7 s LYS 48 Cb 0.42 0.34 -0.03 0.00 -2.06 0.00 0.00 37.83 36.50 1km7 s LYS 48 CO -0.04 -0.71 0.02 0.71 0.10 0.00 0.00 175.35 175.42 1km7 s TYR 49 N 2.80 3.21 -0.67 1.78 1.51 -0.44 -4.93 117.35 120.61 1km7 s TYR 49 Ca 0.18 0.19 -0.08 0.00 -1.01 0.00 0.00 57.07 56.35 1km7 s TYR 49 Cb -0.14 -1.84 0.18 0.00 -0.11 0.00 0.00 41.96 40.05 1km7 s TYR 49 CO -0.21 0.45 0.54 -0.51 -1.11 0.00 0.00 175.55 174.71 1km7 s LEU 50 N -0.74 5.86 0.07 -1.29 1.02 -1.26 -0.49 118.68 121.85 1km7 s LEU 50 Ca 0.12 -2.65 0.06 0.00 0.02 0.00 0.00 54.13 51.68 1km7 s LEU 50 Cb -0.12 -2.01 -0.04 0.00 0.02 0.00 0.00 46.19 44.05 1km7 s LEU 50 CO 0.02 -0.49 -0.09 0.68 0.02 0.00 0.00 176.35 176.49 1km7 s VAL 51 N 0.24 3.47 0.65 -1.59 -7.23 -1.05 -4.85 120.40 110.04 1km7 s VAL 51 Ca 0.15 -1.08 -0.16 0.00 -1.81 0.00 0.00 61.98 59.08 1km7 s VAL 51 Cb -0.18 -2.57 -0.00 0.00 0.56 0.00 0.00 36.38 34.19 1km7 s VAL 51 CO -0.05 0.22 1.15 -2.16 -0.31 0.00 0.00 175.10 173.95 1km7 s PRO 52 N -1.90 2.72 0.61 4.82 0.04 -1.26 0.11 135.00 140.13 1km7 s PRO 52 Ca 0.20 1.56 0.38 0.00 0.04 0.00 0.00 61.00 63.18 1km7 s PRO 52 Cb -0.11 -1.93 1.93 0.00 0.04 0.00 0.00 34.50 34.44 1km7 s PRO 52 CO 0.11 -1.34 2.21 0.77 0.04 0.00 0.00 177.00 178.79 1km7 h SER 53 N 0.19 0.00 0.96 6.66 0.02 -1.66 -2.28 113.55 117.44 1km7 h SER 53 Ca -0.48 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 1km7 h SER 53 Cb 1.27 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.81 1km7 h SER 53 CO 0.53 0.02 -0.19 -0.67 -1.14 0.00 0.00 176.83 175.39 1km7 n ASP 54 N -3.24 0.35 -4.77 3.07 2.03 -1.26 -1.79 116.55 110.94 1km7 n ASP 54 Ca -0.02 0.30 -0.40 0.00 0.52 0.00 0.00 54.79 55.19 1km7 n ASP 54 Cb 0.17 -0.31 0.01 0.00 -0.72 0.00 0.00 41.12 40.26 1km7 n ASP 54 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1km7 s LEU 55 N -3.43 4.21 0.72 -2.67 1.43 -0.86 -4.84 118.68 113.25 1km7 s LEU 55 Ca 0.12 2.91 -0.01 0.00 -1.03 0.00 0.00 54.13 56.11 1km7 s LEU 55 Cb 0.17 -3.83 0.12 0.00 0.03 0.00 0.00 46.19 42.68 1km7 s LEU 55 CO 0.60 -1.00 1.00 0.42 0.23 0.00 0.00 176.35 177.60 1km7 s THR 56 N -1.18 2.15 0.19 5.49 -4.23 -1.26 -0.35 115.64 116.45 1km7 s THR 56 Ca 0.57 -0.57 -0.06 0.00 -1.18 0.00 0.00 61.69 60.45 1km7 s THR 56 Cb -0.43 -2.58 0.01 0.00 1.34 0.00 0.00 72.50 70.83 1km7 s THR 56 CO 0.57 0.00 1.57 0.58 -0.54 0.00 0.00 174.62 176.81 1km7 h VAL 57 N -0.55 1.28 -0.77 2.29 2.07 -1.48 -2.79 116.25 116.30 1km7 h VAL 57 Ca -0.37 -1.43 -0.02 0.00 0.82 0.00 0.00 66.70 65.70 1km7 h VAL 57 Cb 1.27 1.28 -0.04 0.00 -1.52 0.00 0.00 31.29 32.28 1km7 h VAL 57 CO 0.41 0.48 0.42 1.23 0.02 0.00 0.00 177.57 180.12 1km7 h GLY 58 N 0.92 1.14 0.66 2.17 0.00 -1.86 0.10 103.07 106.19 1km7 h GLY 58 Ca 0.08 -0.51 -0.01 0.00 0.00 0.00 0.00 47.33 46.90 1km7 h GLY 58 CO 0.07 0.49 -0.01 1.46 0.00 0.00 0.00 176.54 178.55 1km7 h GLN 59 N 1.07 0.06 -0.52 4.80 1.08 -1.92 -2.78 115.11 116.90 1km7 h GLN 59 Ca 0.27 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.44 1km7 h GLN 59 Cb 0.03 -0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.43 1km7 h GLN 59 CO -0.04 0.41 0.29 0.35 -0.95 0.00 0.00 178.83 178.88 1km7 h PHE 60 N -0.29 0.69 0.00 2.96 3.57 -1.29 -1.15 116.94 121.44 1km7 h PHE 60 Ca 0.01 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.49 1km7 h PHE 60 Cb 0.38 -0.23 -0.00 0.00 2.79 0.00 0.00 35.95 38.89 1km7 h PHE 60 CO 0.05 0.49 -0.08 -0.92 -2.23 0.00 0.00 178.31 175.61 1km7 h TYR 61 N 0.72 0.00 -0.03 0.41 5.03 -0.80 -2.66 116.97 119.64 1km7 h TYR 61 Ca 0.19 0.00 -0.13 0.00 2.58 0.00 0.00 58.73 61.36 1km7 h TYR 61 Cb 0.02 0.00 0.01 0.00 1.55 0.00 0.00 36.73 38.31 1km7 h TYR 61 CO 0.00 0.08 -0.50 0.35 -1.32 0.00 0.00 178.16 176.78 1km7 h PHE 62 N 0.00 0.56 0.00 -3.82 3.57 -0.94 -2.20 116.94 114.11 1km7 h PHE 62 Ca -0.00 -0.28 -0.07 0.00 3.53 0.00 0.00 57.97 61.15 1km7 h PHE 62 Cb 0.15 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.81 1km7 h PHE 62 CO 0.00 1.08 -0.32 1.37 -2.23 0.00 0.00 178.31 178.21 1km7 h LEU 63 N -0.12 0.00 0.14 0.59 8.10 -1.27 -3.02 115.31 119.73 1km7 h LEU 63 Ca -0.05 0.00 -0.31 0.00 0.11 0.00 0.00 57.88 57.63 1km7 h LEU 63 Cb 1.20 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 41.42 1km7 h LEU 63 CO 0.10 0.32 -1.52 0.40 -4.11 0.00 0.00 178.44 173.63 1km7 h ILE 64 N 0.00 1.18 -0.92 0.15 2.04 -1.56 -3.28 117.51 115.13 1km7 h ILE 64 Ca -0.00 -2.78 0.13 0.00 1.00 0.00 0.00 64.86 63.20 1km7 h ILE 64 Cb 0.57 2.80 -0.14 0.00 -0.74 0.00 0.00 36.82 39.31 1km7 h ILE 64 CO 0.04 0.83 -0.44 0.03 0.00 0.00 0.00 178.15 178.61 1km7 h ARG 65 N 0.08 -0.04 -0.17 2.37 3.08 -1.25 0.48 114.38 118.92 1km7 h ARG 65 Ca -0.24 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.68 1km7 h ARG 65 Cb 2.03 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 32.08 1km7 h ARG 65 CO 0.18 -0.03 -0.44 0.87 -1.07 0.00 0.00 179.97 179.48 1km7 h LYS 66 N -0.04 0.42 0.00 0.04 6.56 -1.72 -2.58 116.57 119.25 1km7 h LYS 66 Ca 0.27 -0.22 0.00 0.00 -1.06 0.00 0.00 60.65 59.64 1km7 h LYS 66 Cb 0.55 0.01 0.00 0.00 -0.57 0.00 0.00 32.23 32.21 1km7 h LYS 66 CO -0.92 0.78 0.00 0.00 -2.06 0.00 0.00 179.45 177.26 1km7 h ARG 67 N 0.34 0.00 -0.25 3.15 2.47 -0.46 -1.68 114.38 117.95 1km7 h ARG 67 Ca 0.03 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.75 1km7 h ARG 67 Cb 0.91 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.23 1km7 h ARG 67 CO 0.08 0.00 0.00 -0.89 0.56 0.00 0.00 179.97 179.72 1km7 n ILE 68 N -2.79 0.32 -2.33 2.04 2.08 0.13 -3.88 119.36 114.93 1km7 n ILE 68 Ca 0.00 -0.48 -0.20 0.00 0.56 0.00 0.00 62.75 62.63 1km7 n ILE 68 Cb 0.23 0.55 -0.02 0.00 -0.75 0.00 0.00 39.64 39.66 1km7 n ILE 68 CO 0.00 0.00 0.00 1.57 0.56 0.00 0.00 176.55 178.68 1km7 n HIS 69 N 0.70 -0.90 -4.26 1.39 -0.00 -0.63 -1.89 115.22 109.64 1km7 n HIS 69 Ca 0.17 0.00 -0.26 0.00 0.46 0.00 0.00 57.72 58.08 1km7 n HIS 69 Cb 0.41 -3.87 -0.08 0.00 -0.12 0.00 0.00 29.99 26.33 1km7 n HIS 69 CO 0.00 0.00 0.00 -0.48 0.46 0.00 0.00 176.34 176.32 1km7 s LEU 70 N -5.78 3.13 0.00 0.27 0.05 -1.18 -4.69 118.68 110.49 1km7 s LEU 70 Ca 0.00 -0.51 -0.07 0.00 0.05 0.00 0.00 54.13 53.60 1km7 s LEU 70 Cb 0.00 -1.78 0.03 0.00 -2.05 0.00 0.00 46.19 42.38 1km7 s LEU 70 CO 0.00 0.09 0.34 -2.11 -0.55 0.00 0.00 176.35 174.12 1km7 n ARG 71 N -0.11 0.30 0.00 1.48 1.85 -1.26 -4.49 116.66 114.42 1km7 n ARG 71 Ca -0.10 -0.63 0.00 0.00 -1.00 0.00 0.00 57.85 56.12 1km7 n ARG 71 Cb 0.56 0.82 0.00 0.00 -1.05 0.00 0.00 32.46 32.79 1km7 n ARG 71 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1km7 n ALA 72 N -2.17 0.00 -2.71 2.89 0.00 -1.26 -2.04 120.51 115.22 1km7 n ALA 72 Ca -0.05 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.34 1km7 n ALA 72 Cb 0.21 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.70 1km7 n ALA 72 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1km7 n GLU 73 N 0.00 1.81 -1.35 0.00 0.28 -1.26 -5.11 120.64 115.01 1km7 n GLU 73 Ca 0.00 -3.54 -0.29 0.00 -0.16 0.00 0.00 57.16 53.17 1km7 n GLU 73 Cb 0.00 -1.60 0.18 0.00 1.43 0.00 0.00 31.44 31.45 1km7 n GLU 73 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1km7 s ASP 74 N -3.62 2.46 -0.07 -1.84 -1.08 -0.86 -5.05 116.67 106.60 1km7 s ASP 74 Ca 0.30 0.85 0.01 0.00 -0.52 0.00 0.00 52.55 53.18 1km7 s ASP 74 Cb 0.36 -1.30 -0.03 0.00 -1.46 0.00 0.00 42.92 40.50 1km7 s ASP 74 CO -0.02 -3.19 -0.08 0.00 0.52 0.00 0.00 175.17 172.40 1km7 s ALA 75 N -3.18 2.93 -0.11 3.66 0.00 -1.26 -5.00 121.76 118.80 1km7 s ALA 75 Ca 0.67 -0.90 -0.30 0.00 0.00 0.00 0.00 51.96 51.44 1km7 s ALA 75 Cb -0.13 -1.22 0.08 0.00 0.00 0.00 0.00 23.12 21.85 1km7 s ALA 75 CO 0.55 0.54 0.73 -1.17 0.00 0.00 0.00 175.76 176.41 1km7 s LEU 76 N -0.70 -0.65 -0.13 0.00 2.96 -1.23 -4.48 118.68 114.45 1km7 s LEU 76 Ca 0.11 0.84 -0.05 0.00 -0.22 0.00 0.00 54.13 54.81 1km7 s LEU 76 Cb -0.11 2.45 0.06 0.00 0.50 0.00 0.00 46.19 49.08 1km7 s LEU 76 CO 0.02 -0.50 0.26 -0.36 -1.32 0.00 0.00 176.35 174.45 1km7 s PHE 77 N -0.82 -0.41 -0.01 5.38 0.08 -1.01 -4.92 117.98 116.28 1km7 s PHE 77 Ca -0.08 0.95 -0.25 0.00 0.12 0.00 0.00 56.93 57.67 1km7 s PHE 77 Cb -0.01 -0.03 -0.04 0.00 -0.57 0.00 0.00 43.02 42.36 1km7 s PHE 77 CO 0.07 -0.34 0.78 -0.06 -0.10 0.00 0.00 175.22 175.57 1km7 s PHE 78 N 2.31 3.66 -0.22 0.36 0.08 -1.26 -2.26 117.98 120.65 1km7 s PHE 78 Ca 0.00 1.43 0.02 0.00 0.12 0.00 0.00 56.93 58.50 1km7 s PHE 78 Cb -0.12 -2.87 0.04 0.00 -0.57 0.00 0.00 43.02 39.50 1km7 s PHE 78 CO -0.08 0.15 -0.15 -0.06 -0.10 0.00 0.00 175.22 174.97 1km7 s PHE 79 N 0.47 2.96 -0.17 0.36 0.08 0.13 -4.67 117.98 117.15 1km7 s PHE 79 Ca 0.41 -1.94 0.01 0.00 0.12 0.00 0.00 56.93 55.53 1km7 s PHE 79 Cb -0.19 -1.90 0.02 0.00 -0.57 0.00 0.00 43.02 40.37 1km7 s PHE 79 CO 0.22 -0.83 -0.20 0.08 -0.10 0.00 0.00 175.22 174.38 1km7 s VAL 80 N 1.22 2.07 -1.47 -0.44 1.01 -0.86 -1.29 120.40 120.63 1km7 s VAL 80 Ca -0.01 -0.95 -0.11 0.00 0.00 0.00 0.00 61.98 60.91 1km7 s VAL 80 Cb -0.16 -1.86 0.06 0.00 0.00 0.00 0.00 36.38 34.42 1km7 s VAL 80 CO -0.09 0.54 0.91 -3.20 0.00 0.00 0.00 175.10 173.26 1km7 n ASN 81 N 4.49 -5.21 -2.37 3.32 5.15 -1.26 -1.23 115.26 118.16 1km7 n ASN 81 Ca -0.21 -0.61 -0.18 0.00 -0.60 0.00 0.00 54.58 52.99 1km7 n ASN 81 Cb 0.50 -4.17 0.02 0.00 -0.53 0.00 0.00 39.78 35.61 1km7 n ASN 81 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1km7 n ASN 82 N -2.75 -5.25 -4.30 1.20 2.85 -1.26 -5.01 115.26 100.74 1km7 n ASN 82 Ca 0.01 -0.18 -0.16 0.00 -0.11 0.00 0.00 54.58 54.14 1km7 n ASN 82 Cb 0.55 -4.15 -0.10 0.00 1.24 0.00 0.00 39.78 37.31 1km7 n ASN 82 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1km7 s VAL 83 N -3.01 0.65 -0.46 3.44 1.01 -0.36 -5.11 120.40 116.55 1km7 s VAL 83 Ca 0.19 -2.00 0.06 0.00 0.00 0.00 0.00 61.98 60.23 1km7 s VAL 83 Cb -0.08 -2.44 0.22 0.00 0.00 0.00 0.00 36.38 34.07 1km7 s VAL 83 CO 0.23 -0.19 0.69 -0.38 0.00 0.00 0.00 175.10 175.45 1km7 n ILE 84 N -0.39 -0.33 -1.56 2.22 -0.00 -1.26 -2.03 119.36 116.00 1km7 n ILE 84 Ca -0.03 -2.19 -0.31 0.00 -0.00 0.00 0.00 62.75 60.23 1km7 n ILE 84 Cb 0.65 0.16 0.06 0.00 -0.00 0.00 0.00 39.64 40.52 1km7 n ILE 84 CO 0.00 0.00 0.00 -2.16 -0.00 0.00 0.00 176.55 174.39 1km7 s PRO 85 N 0.25 2.65 0.84 0.38 0.04 -1.26 -5.06 135.00 132.84 1km7 s PRO 85 Ca 0.32 0.85 -0.14 0.00 0.04 0.00 0.00 61.00 62.07 1km7 s PRO 85 Cb 0.13 -1.96 0.21 0.00 0.04 0.00 0.00 34.50 32.91 1km7 s PRO 85 CO -0.16 -1.28 0.85 -0.35 0.04 0.00 0.00 177.00 176.10 1km7 n PRO 86 N -3.24 -2.09 -0.13 0.56 -0.04 -1.26 -4.90 135.00 123.90 1km7 n PRO 86 Ca 0.07 -1.34 0.00 0.00 -0.04 0.00 0.00 63.50 62.19 1km7 n PRO 86 Cb 0.54 -1.14 0.05 0.00 -0.04 0.00 0.00 33.50 32.92 1km7 n PRO 86 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1km7 n THR 87 N -3.96 0.56 -1.68 0.52 -2.24 -1.26 -4.18 114.28 102.03 1km7 n THR 87 Ca 0.11 -0.21 -0.37 0.00 -2.27 0.00 0.00 64.05 61.32 1km7 n THR 87 Cb 0.43 -0.56 0.06 0.00 -2.10 0.00 0.00 70.33 68.15 1km7 n THR 87 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1km7 n SER 88 N 0.12 7.45 -1.92 3.42 2.88 -1.26 -4.41 113.62 119.90 1km7 n SER 88 Ca 0.05 -3.81 -0.07 0.00 -1.33 0.00 0.00 58.87 53.70 1km7 n SER 88 Cb 0.43 -0.99 -0.02 0.00 -0.75 0.00 0.00 64.21 62.88 1km7 n SER 88 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1km7 n ALA 89 N -0.71 0.04 -2.16 -1.46 0.00 -1.26 -5.04 120.51 109.92 1km7 n ALA 89 Ca 0.57 -0.77 -0.10 0.00 0.00 0.00 0.00 53.44 53.14 1km7 n ALA 89 Cb 0.46 0.62 -0.10 0.00 0.00 0.00 0.00 19.45 20.43 1km7 n ALA 89 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1km7 s THR 90 N -2.60 0.26 0.13 0.00 -4.23 -1.26 -1.53 115.64 106.42 1km7 s THR 90 Ca 0.15 -1.91 -0.12 0.00 -1.18 0.00 0.00 61.69 58.62 1km7 s THR 90 Cb 0.00 -1.96 -0.05 0.00 1.34 0.00 0.00 72.50 71.83 1km7 s THR 90 CO 0.10 -0.58 1.46 0.24 -0.54 0.00 0.00 174.62 175.31 1km7 h MET 91 N 2.88 0.85 -0.33 3.99 2.86 -0.86 -2.53 114.93 121.80 1km7 h MET 91 Ca -0.35 -0.44 -0.00 0.00 -2.06 0.00 0.00 59.70 56.84 1km7 h MET 91 Cb 1.19 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.84 1km7 h MET 91 CO 0.61 1.08 0.19 0.78 1.06 0.00 0.00 176.91 180.63 1km7 h GLY 92 N 0.65 0.49 1.67 8.32 0.00 -1.51 -2.24 103.07 110.45 1km7 h GLY 92 Ca 0.06 -0.21 -0.08 0.00 0.00 0.00 0.00 47.33 47.09 1km7 h GLY 92 CO 0.08 0.21 -0.23 0.06 0.00 0.00 0.00 176.54 176.66 1km7 h GLN 93 N 0.42 0.39 0.00 4.80 3.07 -1.73 -2.52 115.11 119.55 1km7 h GLN 93 Ca 0.12 -0.14 -0.06 0.00 0.09 0.00 0.00 58.65 58.67 1km7 h GLN 93 Cb 0.04 -0.03 -0.01 0.00 0.08 0.00 0.00 27.48 27.56 1km7 h GLN 93 CO -0.02 0.61 -0.26 1.37 0.09 0.00 0.00 178.83 180.61 1km7 h LEU 94 N 0.35 0.00 -0.27 0.06 8.10 -1.08 -3.14 115.31 119.33 1km7 h LEU 94 Ca 0.06 0.00 0.06 0.00 0.11 0.00 0.00 57.88 58.11 1km7 h LEU 94 Cb 0.60 0.00 -0.08 0.00 -0.44 0.00 0.00 40.66 40.75 1km7 h LEU 94 CO 0.04 0.26 -0.29 0.22 -4.11 0.00 0.00 178.44 174.56 1km7 h TYR 95 N 0.00 -0.81 0.00 0.17 3.20 -0.95 0.60 116.97 119.19 1km7 h TYR 95 Ca -0.00 0.05 -0.02 0.00 3.14 0.00 0.00 58.73 61.89 1km7 h TYR 95 Cb 0.57 0.39 -0.00 0.00 1.54 0.00 0.00 36.73 39.23 1km7 h TYR 95 CO 0.00 -0.37 -0.12 1.96 -1.64 0.00 0.00 178.16 178.00 1km7 h GLN 96 N -0.29 0.00 0.00 1.82 4.20 -1.69 -2.75 115.11 116.40 1km7 h GLN 96 Ca 0.14 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.85 1km7 h GLN 96 Cb 0.51 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.29 1km7 h GLN 96 CO -0.43 0.12 -0.31 0.93 -0.67 0.00 0.00 178.83 178.47 1km7 h GLU 97 N 0.00 0.00 -1.03 1.46 5.08 -0.90 -3.40 114.58 115.79 1km7 h GLU 97 Ca -0.00 0.00 -0.63 0.00 -1.00 0.00 0.00 59.36 57.73 1km7 h GLU 97 Cb 0.52 0.00 -0.28 0.00 0.50 0.00 0.00 28.75 29.49 1km7 h GLU 97 CO 0.02 0.00 0.81 0.72 -1.00 0.00 0.00 179.01 179.56 1km7 n HIS 98 N -4.21 3.10 -1.22 4.33 8.25 0.19 -5.00 115.22 120.66 1km7 n HIS 98 Ca -0.04 -2.76 -0.30 0.00 -0.26 0.00 0.00 57.72 54.36 1km7 n HIS 98 Cb 0.16 -1.34 0.13 0.00 1.12 0.00 0.00 29.99 30.07 1km7 n HIS 98 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 1km7 s HIS 99 N -3.61 2.34 -0.38 4.41 -3.43 -1.04 -2.66 115.29 110.93 1km7 s HIS 99 Ca 0.61 1.26 0.05 0.00 -0.80 0.00 0.00 55.06 56.18 1km7 s HIS 99 Cb 0.49 -3.16 0.17 0.00 -1.43 0.00 0.00 32.58 28.65 1km7 s HIS 99 CO 0.01 -2.36 0.47 -1.21 -2.00 0.00 0.00 174.74 169.66 1km7 s GLU 100 N -4.94 0.69 0.52 -0.38 0.41 -1.20 -4.62 118.70 109.18 1km7 s GLU 100 Ca 0.63 -0.55 0.00 0.00 -0.41 0.00 0.00 54.97 54.64 1km7 s GLU 100 Cb -0.18 -0.39 0.00 0.00 -1.78 0.00 0.00 34.13 31.78 1km7 s GLU 100 CO 0.57 -1.18 0.00 0.39 -0.49 0.00 0.00 175.26 174.55 1km7 n GLU 101 N 4.41 -4.06 0.00 1.61 1.02 -1.26 -4.77 120.64 117.58 1km7 n GLU 101 Ca 0.10 3.09 0.00 0.00 -0.02 0.00 0.00 57.16 60.33 1km7 n GLU 101 Cb 0.50 -3.67 0.00 0.00 -0.02 0.00 0.00 31.44 28.25 1km7 n GLU 101 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1km7 n ASP 102 N -1.76 0.00 -0.09 1.62 8.00 -1.26 -4.09 116.55 118.97 1km7 n ASP 102 Ca 0.00 0.00 -0.23 0.00 0.71 0.00 0.00 54.79 55.27 1km7 n ASP 102 Cb 0.24 0.00 -0.12 0.00 -0.02 0.00 0.00 41.12 41.22 1km7 n ASP 102 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1km7 n PHE 103 N 2.70 0.78 -1.52 1.24 3.72 -1.26 -4.96 117.46 118.16 1km7 n PHE 103 Ca 0.00 0.27 -0.46 0.00 -0.05 0.00 0.00 57.45 57.21 1km7 n PHE 103 Cb 0.00 -1.09 -0.02 0.00 -0.94 0.00 0.00 39.48 37.43 1km7 n PHE 103 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1km7 n PHE 104 N -4.07 0.63 -3.24 1.38 3.72 -1.26 -4.76 117.46 109.86 1km7 n PHE 104 Ca -0.38 0.80 -0.18 0.00 -0.05 0.00 0.00 57.45 57.64 1km7 n PHE 104 Cb 0.84 -2.14 -0.00 0.00 -0.94 0.00 0.00 39.48 37.23 1km7 n PHE 104 CO 0.00 0.00 0.00 -0.48 -0.05 0.00 0.00 176.76 176.23 1km7 s LEU 105 N 1.37 3.71 -0.05 4.37 0.05 -1.09 -3.23 118.68 123.81 1km7 s LEU 105 Ca 0.62 -0.40 0.07 0.00 0.05 0.00 0.00 54.13 54.47 1km7 s LEU 105 Cb -0.80 -2.59 -0.01 0.00 -2.05 0.00 0.00 46.19 40.73 1km7 s LEU 105 CO 0.58 -0.64 -0.25 -0.47 -0.55 0.00 0.00 176.35 175.02 1km7 s TYR 106 N -2.31 2.42 0.01 3.48 5.04 -1.09 0.06 117.35 124.95 1km7 s TYR 106 Ca 0.51 -0.60 0.01 0.00 -2.44 0.00 0.00 57.07 54.54 1km7 s TYR 106 Cb -0.09 -1.57 -0.01 0.00 0.35 0.00 0.00 41.96 40.64 1km7 s TYR 106 CO 0.32 -0.14 -0.04 0.42 -1.34 0.00 0.00 175.55 174.77 1km7 s ILE 107 N -0.33 0.27 0.19 3.14 1.01 0.87 -4.16 121.20 122.18 1km7 s ILE 107 Ca 0.01 -0.41 0.00 0.00 0.00 0.00 0.00 60.65 60.25 1km7 s ILE 107 Cb -0.12 -0.28 -0.04 0.00 0.01 0.00 0.00 42.46 42.02 1km7 s ILE 107 CO 0.02 -0.10 0.07 0.00 0.00 0.00 0.00 174.94 174.93 1km7 s ALA 108 N -0.51 1.27 0.14 9.38 0.00 -0.42 -0.67 121.76 130.96 1km7 s ALA 108 Ca -0.03 -1.66 -0.15 0.00 0.00 0.00 0.00 51.96 50.12 1km7 s ALA 108 Cb -0.04 0.98 0.03 0.00 0.00 0.00 0.00 23.12 24.08 1km7 s ALA 108 CO -0.00 -0.47 0.39 1.52 0.00 0.00 0.00 175.76 177.20 1km7 s TYR 109 N -3.91 -0.10 0.28 0.00 1.13 -0.91 0.21 117.35 114.05 1km7 s TYR 109 Ca 0.31 -0.23 0.06 0.00 -1.41 0.00 0.00 57.07 55.81 1km7 s TYR 109 Cb 0.07 0.22 -0.02 0.00 -1.10 0.00 0.00 41.96 41.13 1km7 s TYR 109 CO 0.08 -0.72 0.23 0.45 -2.51 0.00 0.00 175.55 173.08 1km7 n SER 110 N -0.23 -0.47 0.09 -0.18 2.88 -0.96 -1.79 113.62 112.97 1km7 n SER 110 Ca -0.14 -2.85 0.12 0.00 -1.33 0.00 0.00 58.87 54.67 1km7 n SER 110 Cb 0.63 1.38 0.07 0.00 -0.75 0.00 0.00 64.21 65.54 1km7 n SER 110 CO 0.00 0.00 0.00 -2.24 -1.23 0.00 0.00 175.04 171.57 1km7 h ASP 111 N 1.70 0.00 -5.03 -3.46 2.03 -1.90 -2.67 116.42 107.09 1km7 h ASP 111 Ca -0.20 -0.09 -0.02 0.00 -0.73 0.00 0.00 57.03 55.99 1km7 h ASP 111 Cb 1.01 0.00 -0.11 0.00 -0.83 0.00 0.00 39.33 39.40 1km7 h ASP 111 CO 0.30 0.04 0.12 -1.83 -1.03 0.00 0.00 179.24 176.84 1km7 s GLU 112 N -3.28 1.33 -0.20 4.15 -1.05 -1.26 -3.58 118.70 114.80 1km7 s GLU 112 Ca 0.03 -0.66 0.24 0.00 -0.15 0.00 0.00 54.97 54.42 1km7 s GLU 112 Cb 0.11 0.56 0.49 0.00 -0.44 0.00 0.00 34.13 34.84 1km7 s GLU 112 CO 0.76 -0.57 1.12 0.45 0.95 0.00 0.00 175.26 177.97 1km7 n SER 113 N -0.35 1.46 -4.61 0.83 2.88 -1.26 -4.87 113.62 107.69 1km7 n SER 113 Ca -0.14 -2.03 -0.29 0.00 -1.33 0.00 0.00 58.87 55.08 1km7 n SER 113 Cb 0.64 -0.44 -0.10 0.00 -0.75 0.00 0.00 64.21 63.56 1km7 n SER 113 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1km7 s VAL 114 N -2.92 1.58 -0.28 2.46 0.11 -1.26 -5.06 120.40 115.03 1km7 s VAL 114 Ca 0.29 -2.00 -0.28 0.00 -2.93 0.00 0.00 61.98 57.06 1km7 s VAL 114 Cb 0.34 -2.70 -0.05 0.00 -1.53 0.00 0.00 36.38 32.44 1km7 s VAL 114 CO -0.07 0.00 2.27 -0.47 -3.33 0.00 0.00 175.10 173.50 1km7 s TYR 115 N -2.85 1.14 0.00 1.54 5.04 -1.26 -4.64 117.35 116.31 1km7 s TYR 115 Ca 0.26 0.79 0.00 0.00 -2.44 0.00 0.00 57.07 55.68 1km7 s TYR 115 Cb 0.07 -3.84 0.00 0.00 0.35 0.00 0.00 41.96 38.54 1km7 s TYR 115 CO 0.13 -3.72 0.00 0.41 -1.34 0.00 0.00 175.55 171.03 1km7 n GLY 116 N 5.83 -0.68 0.53 8.97 0.00 -1.26 -5.27 105.19 113.31 1km7 n GLY 116 Ca 0.32 -0.24 0.07 0.00 0.00 0.00 0.00 46.02 46.16 1km7 n GLY 116 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36