#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a92 h ARG 13 N 0.00 0.34 -0.57 1.61 3.08 -2.05 -1.06 114.38 115.73 1a92 h ARG 13 Ca 0.00 -0.04 -0.11 0.00 0.07 0.00 0.00 59.98 59.90 1a92 h ARG 13 Cb 0.00 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 1a92 h ARG 13 CO 0.00 0.29 -0.08 1.49 -1.07 0.00 0.00 179.97 180.60 1a92 h GLU 14 N 0.34 1.06 -0.36 0.04 4.57 -2.05 0.05 114.58 118.23 1a92 h GLU 14 Ca 0.09 -0.38 -0.04 0.00 -1.18 0.00 0.00 59.36 57.85 1a92 h GLU 14 Cb 0.08 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.58 1a92 h GLU 14 CO -0.01 1.08 0.07 0.22 -1.18 0.00 0.00 179.01 179.19 1a92 h ASP 15 N 0.94 0.56 -0.67 1.04 3.58 -1.78 -0.73 116.42 119.36 1a92 h ASP 15 Ca 0.15 -0.25 -0.05 0.00 0.42 0.00 0.00 57.03 57.31 1a92 h ASP 15 Cb 0.65 -0.15 -0.03 0.00 1.72 0.00 0.00 39.33 41.53 1a92 h ASP 15 CO 0.05 0.66 0.23 0.40 -2.88 0.00 0.00 179.24 177.69 1a92 h ILE 16 N 0.43 1.25 -0.59 2.25 1.08 -1.07 -1.62 117.51 119.24 1a92 h ILE 16 Ca 0.11 -0.82 -0.03 0.00 -0.39 0.00 0.00 64.86 63.72 1a92 h ILE 16 Cb 0.33 0.53 -0.03 0.00 -3.07 0.00 0.00 36.82 34.58 1a92 h ILE 16 CO 0.00 0.32 0.23 0.25 -0.69 0.00 0.00 178.15 178.27 1a92 h LEU 17 N 0.96 0.79 -0.33 1.44 5.85 -0.74 0.57 115.31 123.85 1a92 h LEU 17 Ca 0.22 -0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.80 1a92 h LEU 17 Cb 0.26 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 1a92 h LEU 17 CO -0.01 0.71 0.09 -0.33 -0.34 0.00 0.00 178.44 178.56 1a92 h GLU 18 N 0.85 0.53 -0.58 1.25 5.08 -0.73 0.14 114.58 121.12 1a92 h GLU 18 Ca 0.20 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 1a92 h GLU 18 Cb 0.18 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 1a92 h GLU 18 CO -0.02 0.57 0.31 1.96 -1.00 0.00 0.00 179.01 180.83 1a92 h GLN 19 N 0.38 0.82 0.05 2.33 4.20 -0.76 -0.64 115.11 121.49 1a92 h GLN 19 Ca 0.11 -0.11 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 1a92 h GLN 19 Cb 0.28 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.90 1a92 h GLN 19 CO -0.00 0.64 -0.02 2.35 -0.67 0.00 0.00 178.83 181.13 1a92 h TRP 20 N 0.79 -0.06 -0.83 2.96 7.01 -0.71 0.14 115.95 125.25 1a92 h TRP 20 Ca 0.20 -0.00 -0.04 0.00 2.11 0.00 0.00 58.89 61.17 1a92 h TRP 20 Cb 0.07 0.02 -0.04 0.00 -2.10 0.00 0.00 29.16 27.11 1a92 h TRP 20 CO -0.01 0.18 0.38 0.28 -2.79 0.00 0.00 178.44 176.48 1a92 h VAL 21 N -0.29 1.26 -0.37 2.65 2.07 -0.63 0.38 116.25 121.32 1a92 h VAL 21 Ca -0.01 -0.76 -0.13 0.00 0.82 0.00 0.00 66.70 66.63 1a92 h VAL 21 Cb 0.26 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.25 1a92 h VAL 21 CO 0.01 0.32 -0.30 0.28 0.02 0.00 0.00 177.57 177.91 1a92 h SER 22 N 1.18 0.82 -0.37 0.57 0.02 -1.08 -0.21 113.55 114.49 1a92 h SER 22 Ca 0.28 -0.33 -0.06 0.00 -0.84 0.00 0.00 61.79 60.84 1a92 h SER 22 Cb 0.15 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.45 1a92 h SER 22 CO -0.03 1.06 -0.01 1.23 -1.14 0.00 0.00 176.83 177.94 1a92 h GLY 23 N 0.93 0.71 1.05 -3.77 0.00 -0.09 -1.48 103.07 100.43 1a92 h GLY 23 Ca 0.08 -0.53 -0.06 0.00 0.00 0.00 0.00 47.33 46.82 1a92 h GLY 23 CO 0.07 0.49 0.23 3.21 0.00 0.00 0.00 176.54 180.54 1a92 h ARG 24 N 0.48 1.13 -0.16 4.80 3.08 -0.08 -0.24 114.38 123.39 1a92 h ARG 24 Ca 0.10 -0.24 -0.01 0.00 0.07 0.00 0.00 59.98 59.90 1a92 h ARG 24 Cb 0.48 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 1a92 h ARG 24 CO 0.02 0.97 0.08 -0.22 -1.07 0.00 0.00 179.97 179.75 1a92 h LYS 25 N 1.08 0.23 -0.76 0.04 3.64 -0.89 -1.60 116.57 118.31 1a92 h LYS 25 Ca 0.24 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 1a92 h LYS 25 Cb 0.31 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.05 1a92 h LYS 25 CO -0.01 0.27 0.48 -0.22 -2.27 0.00 0.00 179.45 177.70 1a92 h LYS 26 N 0.14 1.01 -0.40 1.90 1.63 -1.09 -1.87 116.57 117.90 1a92 h LYS 26 Ca 0.06 -0.08 0.05 0.00 -0.85 0.00 0.00 60.65 59.83 1a92 h LYS 26 Cb 0.11 -0.22 -0.05 0.00 -0.60 0.00 0.00 32.23 31.47 1a92 h LYS 26 CO -0.01 0.70 0.13 1.25 -3.45 0.00 0.00 179.45 178.07 1a92 h LEU 27 N 1.03 0.12 -0.95 5.20 5.85 -0.76 0.14 115.31 125.95 1a92 h LEU 27 Ca 0.27 0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.99 1a92 h LEU 27 Cb -0.07 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 1a92 h LEU 27 CO -0.06 0.10 0.13 -0.33 -0.34 0.00 0.00 178.44 177.95 1a92 h GLU 28 N 0.28 0.90 -0.32 1.25 5.08 -0.93 0.19 114.58 121.04 1a92 h GLU 28 Ca 0.19 -0.19 -0.10 0.00 -1.00 0.00 0.00 59.36 58.25 1a92 h GLU 28 Cb 0.18 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1a92 h GLU 28 CO -0.20 0.81 -0.20 0.93 -1.00 0.00 0.00 179.01 179.35 1a92 h GLU 29 N 0.86 0.69 -0.76 2.33 5.08 -0.62 -0.51 114.58 121.65 1a92 h GLU 29 Ca 0.19 -0.32 -0.05 0.00 -1.00 0.00 0.00 59.36 58.17 1a92 h GLU 29 Cb 0.32 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 1a92 h GLU 29 CO 0.00 0.93 0.27 -0.07 -1.00 0.00 0.00 179.01 179.14 1a92 h LEU 30 N 0.45 1.08 -0.58 1.33 3.38 -0.45 0.42 115.31 120.94 1a92 h LEU 30 Ca 0.06 -0.18 -0.13 0.00 0.09 0.00 0.00 57.88 57.72 1a92 h LEU 30 Cb 0.75 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1a92 h LEU 30 CO 0.06 0.97 -0.23 -0.33 0.09 0.00 0.00 178.44 179.00 1a92 h GLU 31 N 1.12 0.89 0.07 1.13 5.08 -0.87 -0.18 114.58 121.82 1a92 h GLU 31 Ca 0.25 -0.38 -0.00 0.00 -1.00 0.00 0.00 59.36 58.23 1a92 h GLU 31 Cb 0.26 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1a92 h GLU 31 CO -0.01 1.02 -0.03 -0.09 -1.00 0.00 0.00 179.01 178.90 1a92 h ARG 32 N 0.77 -0.09 -0.81 2.33 2.43 -0.74 -1.87 114.38 116.39 1a92 h ARG 32 Ca 0.10 0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.34 1a92 h ARG 32 Cb 0.78 0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 30.30 1a92 h ARG 32 CO 0.06 0.20 0.53 -0.44 -1.51 0.00 0.00 179.97 178.82 1a92 h ASP 33 N -0.39 0.77 -0.17 -3.80 3.32 -0.85 -1.63 116.42 113.67 1a92 h ASP 33 Ca -0.01 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 1a92 h ASP 33 Cb 0.34 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 1a92 h ASP 33 CO 0.02 0.49 -0.01 0.25 -1.72 0.00 0.00 179.24 178.27 1a92 h LEU 34 N 0.87 0.30 -0.42 1.55 5.85 -0.85 -0.87 115.31 121.76 1a92 h LEU 34 Ca 0.35 -0.33 0.01 0.00 0.84 0.00 0.00 57.88 58.75 1a92 h LEU 34 Cb 0.25 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 1a92 h LEU 34 CO -0.13 0.56 0.27 0.03 -0.34 0.00 0.00 178.44 178.83 1a92 h ARG 35 N 0.04 0.53 -0.71 1.25 3.08 -0.92 0.12 114.38 117.77 1a92 h ARG 35 Ca 0.05 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 60.03 1a92 h ARG 35 Cb 0.41 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.31 1a92 h ARG 35 CO 0.01 0.35 0.30 0.87 -1.07 0.00 0.00 179.97 180.43 1a92 h LYS 36 N 0.54 1.05 -0.29 0.04 1.57 -1.24 -1.61 116.57 116.63 1a92 h LYS 36 Ca 0.16 -0.18 -0.19 0.00 -1.87 0.00 0.00 60.65 58.57 1a92 h LYS 36 Cb -0.04 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.09 1a92 h LYS 36 CO -0.05 0.86 -0.56 1.25 -0.57 0.00 0.00 179.45 180.38 1a92 h LEU 37 N 1.00 0.99 -0.46 2.94 5.85 -0.87 -1.49 115.31 123.26 1a92 h LEU 37 Ca 0.24 -0.54 -0.00 0.00 0.84 0.00 0.00 57.88 58.42 1a92 h LEU 37 Cb 0.19 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 1a92 h LEU 37 CO -0.02 1.34 0.28 0.11 -0.34 0.00 0.00 178.44 179.81 1a92 h LYS 38 N 0.68 0.63 -0.53 1.25 1.57 -0.60 0.36 116.57 119.92 1a92 h LYS 38 Ca 0.01 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.69 1a92 h LYS 38 Cb 1.17 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 33.32 1a92 h LYS 38 CO 0.12 0.45 0.14 -0.22 -0.57 0.00 0.00 179.45 179.38 1a92 h LYS 39 N 0.62 0.80 -0.10 3.15 3.64 -1.25 -0.44 116.57 122.99 1a92 h LYS 39 Ca 0.17 -0.15 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 1a92 h LYS 39 Cb -0.02 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 31.68 1a92 h LYS 39 CO -0.03 0.71 0.01 -0.22 -2.27 0.00 0.00 179.45 177.65 1a92 h LYS 40 N 0.77 0.17 -0.50 1.90 3.64 -0.51 -1.65 116.57 120.38 1a92 h LYS 40 Ca 0.17 -0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 59.42 1a92 h LYS 40 Cb 0.27 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 1a92 h LYS 40 CO -0.00 0.39 -0.02 0.82 -2.27 0.00 0.00 179.45 178.36 1a92 h ILE 41 N -0.08 1.27 -0.23 2.00 2.04 -0.78 -1.04 117.51 120.69 1a92 h ILE 41 Ca 0.03 -1.12 0.03 0.00 1.00 0.00 0.00 64.86 64.80 1a92 h ILE 41 Cb 0.30 0.98 -0.03 0.00 -0.74 0.00 0.00 36.82 37.33 1a92 h ILE 41 CO 0.00 0.39 0.06 0.50 0.00 0.00 0.00 178.15 179.11 1a92 h LYS 42 N 0.77 0.15 -0.72 2.37 3.64 -1.03 -0.38 116.57 121.37 1a92 h LYS 42 Ca 0.14 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.47 1a92 h LYS 42 Cb 0.55 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.30 1a92 h LYS 42 CO 0.03 0.10 0.30 -0.22 -2.27 0.00 0.00 179.45 177.40 1a92 h LYS 43 N 0.16 1.05 -0.67 1.90 3.64 -1.14 -0.78 116.57 120.73 1a92 h LYS 43 Ca 0.10 -0.17 0.03 0.00 -1.27 0.00 0.00 60.65 59.35 1a92 h LYS 43 Cb 0.09 -0.18 -0.04 0.00 -0.41 0.00 0.00 32.23 31.68 1a92 h LYS 43 CO -0.13 0.84 0.41 1.25 -2.27 0.00 0.00 179.45 179.56 1a92 h LEU 44 N 1.04 0.67 -0.34 5.20 5.85 -0.32 0.01 115.31 127.43 1a92 h LEU 44 Ca 0.24 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.80 1a92 h LEU 44 Cb 0.17 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.06 1a92 h LEU 44 CO -0.02 0.46 -0.46 -0.33 -0.34 0.00 0.00 178.44 177.75 1a92 h GLU 45 N 0.81 0.91 -0.53 1.25 5.08 -0.58 -1.51 114.58 120.00 1a92 h GLU 45 Ca 0.28 -0.52 -0.07 0.00 -1.00 0.00 0.00 59.36 58.04 1a92 h GLU 45 Cb 0.04 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 1a92 h GLU 45 CO -0.12 1.17 0.04 0.93 -1.00 0.00 0.00 179.01 180.03 1a92 h GLU 46 N 0.71 0.88 0.00 2.33 5.08 -0.83 -2.89 114.58 119.86 1a92 h GLU 46 Ca 0.04 -0.23 -0.03 0.00 -1.00 0.00 0.00 59.36 58.14 1a92 h GLU 46 Cb 1.06 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 30.21 1a92 h GLU 46 CO 0.11 0.85 -0.14 -0.44 -1.00 0.00 0.00 179.01 178.39 1a92 h ASP 47 N 0.82 0.00 -2.53 1.42 3.32 -0.94 -3.38 116.42 115.14 1a92 h ASP 47 Ca 0.16 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.62 1a92 h ASP 47 Cb 0.44 0.00 -0.39 0.00 0.22 0.00 0.00 39.33 39.60 1a92 h ASP 47 CO 0.02 0.14 -0.86 0.59 -1.72 0.00 0.00 179.24 177.40 1a92 n ASN 48 N -3.15 0.70 0.09 6.45 3.02 -0.58 -4.98 115.26 116.82 1a92 n ASN 48 Ca 0.03 -2.67 0.20 0.00 -0.03 0.00 0.00 54.58 52.11 1a92 n ASN 48 Cb 0.56 -0.62 0.75 0.00 -0.61 0.00 0.00 39.78 39.86 1a92 n ASN 48 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 1a92 h PRO 49 N 5.37 0.00 0.00 3.52 0.11 -1.72 -0.38 132.00 138.90 1a92 h PRO 49 Ca 0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.33 1a92 h PRO 49 Cb 0.85 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.96 1a92 h PRO 49 CO 0.49 0.00 0.00 0.11 -0.21 0.00 0.00 178.00 178.39 1a92 h TRP 50 N 0.00 0.00 0.00 0.65 5.08 -1.94 -0.78 115.95 118.96 1a92 h TRP 50 Ca 0.19 0.00 -0.05 0.00 1.08 0.00 0.00 58.89 60.11 1a92 h TRP 50 Cb 0.98 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.13 1a92 h TRP 50 CO 0.00 0.00 -0.24 -0.07 -1.28 0.00 0.00 178.44 176.85 1a92 h LEU 51 N 0.00 0.00 -1.21 0.11 3.38 -1.37 -2.28 115.31 113.94 1a92 h LEU 51 Ca 0.00 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.06 1a92 h LEU 51 Cb 0.14 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.83 1a92 h LEU 51 CO 0.00 0.24 0.57 1.23 0.09 0.00 0.00 178.44 180.56 1a92 h GLY 52 N 0.77 1.26 1.42 0.83 0.00 -1.34 -0.06 103.07 105.94 1a92 h GLY 52 Ca -0.00 -0.36 -0.09 0.00 0.00 0.00 0.00 47.33 46.87 1a92 h GLY 52 CO 0.03 0.21 -0.14 3.43 0.00 0.00 0.00 176.54 180.08 1a92 h ASN 53 N 0.88 0.68 -0.39 0.19 2.35 -1.57 -0.75 115.58 116.97 1a92 h ASN 53 Ca 0.40 -0.20 -0.05 0.00 -0.55 0.00 0.00 56.30 55.90 1a92 h ASN 53 Cb 0.39 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.56 1a92 h ASN 53 CO -0.17 0.84 0.06 0.40 -1.65 0.00 0.00 177.43 176.91 1a92 h ILE 54 N 0.62 1.24 -0.85 2.81 1.08 -1.06 -0.70 117.51 120.65 1a92 h ILE 54 Ca 0.10 -0.86 0.01 0.00 -0.39 0.00 0.00 64.86 63.72 1a92 h ILE 54 Cb 0.59 1.05 -0.04 0.00 -3.07 0.00 0.00 36.82 35.35 1a92 h ILE 54 CO 0.04 0.29 0.56 0.11 -0.69 0.00 0.00 178.15 178.46 1a92 h LYS 55 N 0.49 1.13 -0.28 2.37 1.57 -0.83 -1.63 116.57 119.38 1a92 h LYS 55 Ca 0.12 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1a92 h LYS 55 Cb 0.36 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 1a92 h LYS 55 CO 0.01 0.75 0.18 0.78 -0.57 0.00 0.00 179.45 180.60 1a92 h GLY 56 N 1.16 0.40 1.26 3.86 0.00 -0.78 0.85 103.07 109.82 1a92 h GLY 56 Ca 0.31 -0.15 -0.00 0.00 0.00 0.00 0.00 47.33 47.49 1a92 h GLY 56 CO -0.07 0.15 0.44 -2.22 0.00 0.00 0.00 176.54 174.85 1a92 h ILE 57 N 0.38 1.20 -0.31 2.60 2.04 -0.49 -1.91 117.51 121.01 1a92 h ILE 57 Ca 0.10 -0.43 0.00 0.00 1.00 0.00 0.00 64.86 65.53 1a92 h ILE 57 Cb -0.03 0.17 0.00 0.00 -0.74 0.00 0.00 36.82 36.22 1a92 h ILE 57 CO -0.02 0.21 0.00 2.30 0.00 0.00 0.00 178.15 180.64 1a92 n ILE 58 N -4.39 0.63 -3.04 -0.67 -5.35 -0.67 -4.90 119.36 100.96 1a92 n ILE 58 Ca 0.08 -0.48 -0.14 0.00 -0.27 0.00 0.00 62.75 61.93 1a92 n ILE 58 Cb 0.06 0.07 0.04 0.00 -1.74 0.00 0.00 39.64 38.08 1a92 n ILE 58 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1a92 n GLY 59 N 0.85 0.02 3.21 3.28 0.00 -0.72 -5.06 105.19 106.75 1a92 n GLY 59 Ca 0.11 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1a92 n GLY 59 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60