#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ff7 s ASP 46 N 0.00 3.94 -0.30 4.04 2.15 -1.26 -5.06 116.67 120.18 1ff7 s ASP 46 Ca 0.00 -0.52 -0.06 0.00 0.43 0.00 0.00 52.55 52.41 1ff7 s ASP 46 Cb 0.00 -0.59 0.26 0.00 -0.30 0.00 0.00 42.92 42.29 1ff7 s ASP 46 CO 0.00 0.19 1.27 0.61 -0.17 0.00 0.00 175.17 177.07 1ff7 n GLY 47 N 0.89 -2.05 0.23 2.66 0.00 -1.26 -4.64 105.19 101.03 1ff7 n GLY 47 Ca -0.15 1.24 0.00 0.00 0.00 0.00 0.00 46.02 47.11 1ff7 n GLY 47 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ff7 n ASP 48 N 1.76 0.00 0.29 1.61 5.75 -1.26 -4.81 116.55 119.88 1ff7 n ASP 48 Ca 0.03 0.00 0.13 0.00 -0.01 0.00 0.00 54.79 54.94 1ff7 n ASP 48 Cb 0.71 0.03 0.84 0.00 -1.03 0.00 0.00 41.12 41.67 1ff7 n ASP 48 CO 0.00 0.00 0.00 -0.61 -0.11 0.00 0.00 177.20 176.48 1ff7 h GLN 49 N 0.00 0.00 -0.49 0.11 5.75 -1.94 -1.72 115.11 116.82 1ff7 h GLN 49 Ca 0.00 0.00 -0.29 0.00 -0.15 0.00 0.00 58.65 58.21 1ff7 h GLN 49 Cb 0.00 0.00 -0.17 0.00 1.07 0.00 0.00 27.48 28.38 1ff7 h GLN 49 CO 0.00 0.02 -0.06 0.00 -2.65 0.00 0.00 178.83 176.13 1ff7 h ALA 51 N 1.22 0.67 -0.45 0.00 0.00 -1.62 -3.28 119.26 115.80 1ff7 h ALA 51 Ca 0.30 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1ff7 h ALA 51 Cb 1.65 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.48 1ff7 h ALA 51 CO 0.57 0.64 0.00 0.45 0.00 0.00 0.00 179.25 180.91 1ff7 n SER 52 N -3.07 4.58 -3.32 0.00 2.88 -1.26 -4.96 113.62 108.46 1ff7 n SER 52 Ca -0.02 -2.68 -0.14 0.00 -1.33 0.00 0.00 58.87 54.70 1ff7 n SER 52 Cb 0.74 -0.63 0.01 0.00 -0.75 0.00 0.00 64.21 63.58 1ff7 n SER 52 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1ff7 n SER 53 N 0.53 -6.57 -0.02 -3.46 7.64 -1.24 -4.91 113.62 105.59 1ff7 n SER 53 Ca 0.21 -0.27 -0.18 0.00 1.01 0.00 0.00 58.87 59.65 1ff7 n SER 53 Cb 0.96 -3.67 -0.08 0.00 -1.01 0.00 0.00 64.21 60.41 1ff7 n SER 53 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1ff7 h PRO 54 N 0.70 0.74 -7.27 1.43 0.13 -1.88 -3.45 132.00 122.41 1ff7 h PRO 54 Ca -0.28 -0.63 -0.45 0.00 -0.87 0.00 0.00 66.00 63.76 1ff7 h PRO 54 Cb 1.18 0.14 0.08 0.00 0.13 0.00 0.00 31.00 32.54 1ff7 h PRO 54 CO 0.30 1.24 0.19 0.00 -0.23 0.00 0.00 178.00 179.50 1ff7 n GLN 56 N -2.93 0.00 -3.76 0.00 10.64 -0.42 -4.89 117.38 116.02 1ff7 n GLN 56 Ca 0.10 0.00 -0.23 0.00 -1.83 0.00 0.00 57.00 55.04 1ff7 n GLN 56 Cb 0.60 0.00 0.03 0.00 -0.86 0.00 0.00 30.24 30.01 1ff7 n GLN 56 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 1ff7 n ASN 57 N 0.00 -1.82 -2.30 2.61 3.02 -1.25 -0.89 115.26 114.62 1ff7 n ASN 57 Ca 0.00 -0.82 -0.20 0.00 -0.03 0.00 0.00 54.58 53.53 1ff7 n ASN 57 Cb 0.00 -3.97 -0.01 0.00 -0.61 0.00 0.00 39.78 35.19 1ff7 n ASN 57 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ff7 n GLY 58 N -1.62 -0.43 3.72 7.41 0.00 -1.26 -4.94 105.19 108.07 1ff7 n GLY 58 Ca -0.23 -0.03 -0.41 0.00 0.00 0.00 0.00 46.02 45.34 1ff7 n GLY 58 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ff7 s GLY 59 N -2.10 2.82 -0.56 -0.02 0.00 -0.07 -4.92 107.32 102.48 1ff7 s GLY 59 Ca 0.00 0.69 -0.22 0.00 0.00 0.00 0.00 44.72 45.19 1ff7 s GLY 59 CO 0.00 1.68 0.82 -0.56 0.00 0.00 0.00 173.10 175.04 1ff7 s SER 60 N 0.39 6.26 0.28 1.64 0.01 -0.88 -4.77 113.70 116.63 1ff7 s SER 60 Ca 0.51 -0.72 -0.09 0.00 1.31 0.00 0.00 55.95 56.96 1ff7 s SER 60 Cb -0.26 -2.37 -0.07 0.00 0.21 0.00 0.00 66.02 63.53 1ff7 s SER 60 CO 0.31 -1.14 0.61 0.00 0.41 0.00 0.00 173.24 173.43 1ff7 s LYS 62 N -3.17 0.52 -0.17 0.00 2.20 0.15 -4.95 119.74 114.32 1ff7 s LYS 62 Ca 0.48 -0.34 -0.27 0.00 -0.36 0.00 0.00 55.97 55.47 1ff7 s LYS 62 Cb -0.11 0.22 -0.01 0.00 -1.51 0.00 0.00 37.83 36.43 1ff7 s LYS 62 CO 0.24 -0.13 0.94 0.16 -0.36 0.00 0.00 175.35 176.21 1ff7 s ASP 63 N -1.35 7.07 0.00 1.43 -4.77 -1.26 -1.67 116.67 116.12 1ff7 s ASP 63 Ca -0.14 1.32 0.00 0.00 -3.30 0.00 0.00 52.55 50.43 1ff7 s ASP 63 Cb -0.07 -2.51 0.00 0.00 -1.09 0.00 0.00 42.92 39.25 1ff7 s ASP 63 CO 0.02 -0.50 0.00 0.00 0.70 0.00 0.00 175.17 175.39 1ff7 n GLN 64 N 5.54 1.94 0.00 2.11 1.13 -1.14 -4.86 117.38 122.10 1ff7 n GLN 64 Ca 0.08 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.14 1ff7 n GLN 64 Cb 0.48 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.83 1ff7 n GLN 64 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1ff7 n LEU 65 N 0.00 0.00 0.00 1.08 7.99 -1.26 -4.67 117.00 120.14 1ff7 n LEU 65 Ca 0.00 0.74 0.00 0.00 -0.01 0.00 0.00 56.01 56.74 1ff7 n LEU 65 Cb 0.00 -0.24 0.00 0.00 -0.11 0.00 0.00 43.42 43.07 1ff7 n LEU 65 CO 0.00 -0.24 0.00 0.00 -1.51 0.00 0.00 177.39 175.64 1ff7 n GLN 66 N -1.33 0.00 -0.03 3.23 6.02 -1.26 -5.02 117.38 119.00 1ff7 n GLN 66 Ca 0.00 0.07 0.00 0.00 -0.01 0.00 0.00 57.00 57.06 1ff7 n GLN 66 Cb 0.00 -0.39 0.00 0.00 1.02 0.00 0.00 30.24 30.87 1ff7 n GLN 66 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1ff7 n SER 67 N -1.36 0.00 -2.55 1.08 3.41 -1.26 -4.93 113.62 108.01 1ff7 n SER 67 Ca 0.00 -0.16 -0.06 0.00 -0.26 0.00 0.00 58.87 58.39 1ff7 n SER 67 Cb 0.00 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1ff7 n SER 67 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ff7 n TYR 68 N -0.29 -0.86 -3.73 7.33 0.18 -1.26 -2.89 117.16 115.64 1ff7 n TYR 68 Ca 0.00 -0.47 -0.12 0.00 1.88 0.00 0.00 57.90 59.19 1ff7 n TYR 68 Cb 0.00 -0.08 -0.11 0.00 -0.38 0.00 0.00 39.34 38.77 1ff7 n TYR 68 CO 0.00 0.00 0.00 -1.50 -2.08 0.00 0.00 176.86 173.28 1ff7 s ILE 69 N -0.78 -0.01 -0.18 -3.48 2.07 -0.67 -4.80 121.20 113.35 1ff7 s ILE 69 Ca 0.04 0.04 0.01 0.00 -1.41 0.00 0.00 60.65 59.33 1ff7 s ILE 69 Cb -0.00 -0.53 0.02 0.00 0.13 0.00 0.00 42.46 42.08 1ff7 s ILE 69 CO 0.03 0.02 -0.18 0.00 -1.91 0.00 0.00 174.94 172.89 1ff7 s PHE 71 N 1.30 3.16 0.19 0.00 0.08 0.21 -4.84 117.98 118.07 1ff7 s PHE 71 Ca 0.05 -0.32 0.01 0.00 0.12 0.00 0.00 56.93 56.79 1ff7 s PHE 71 Cb -0.13 -2.95 0.01 0.00 -0.57 0.00 0.00 43.02 39.37 1ff7 s PHE 71 CO -0.12 -0.72 0.06 0.00 -0.10 0.00 0.00 175.22 174.35 1ff7 s LEU 73 N 0.00 3.30 0.34 0.00 1.43 -1.26 -4.96 118.68 117.53 1ff7 s LEU 73 Ca 0.05 0.71 0.26 0.00 -1.03 0.00 0.00 54.13 54.12 1ff7 s LEU 73 Cb -0.00 -3.56 1.16 0.00 0.03 0.00 0.00 46.19 43.81 1ff7 s LEU 73 CO 0.03 -0.98 1.78 1.55 0.23 0.00 0.00 176.35 178.95 1ff7 h PRO 74 N -0.09 0.00 -0.49 1.29 0.13 -2.01 -2.26 132.00 128.56 1ff7 h PRO 74 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1ff7 h PRO 74 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1ff7 h PRO 74 CO 0.60 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.37 1ff7 n ALA 75 N -1.84 2.66 -2.52 -0.56 0.00 -1.26 -4.87 120.51 112.13 1ff7 n ALA 75 Ca 0.01 -0.73 -0.25 0.00 0.00 0.00 0.00 53.44 52.47 1ff7 n ALA 75 Cb 0.19 -1.00 -0.13 0.00 0.00 0.00 0.00 19.45 18.51 1ff7 n ALA 75 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1ff7 s PHE 76 N -1.61 1.82 0.24 0.00 0.40 -0.85 0.96 117.98 118.93 1ff7 s PHE 76 Ca 0.25 -0.40 0.01 0.00 -0.60 0.00 0.00 56.93 56.19 1ff7 s PHE 76 Cb 0.15 -1.02 -0.04 0.00 0.51 0.00 0.00 43.02 42.62 1ff7 s PHE 76 CO 0.14 0.17 0.19 -2.00 0.70 0.00 0.00 175.22 174.42 1ff7 s GLU 77 N -1.68 1.37 0.00 0.44 2.12 -0.66 -4.80 118.70 115.49 1ff7 s GLU 77 Ca 0.07 -1.72 0.00 0.00 0.36 0.00 0.00 54.97 53.68 1ff7 s GLU 77 Cb -0.10 0.30 0.00 0.00 0.26 0.00 0.00 34.13 34.59 1ff7 s GLU 77 CO 0.04 -0.48 0.00 0.41 -0.54 0.00 0.00 175.26 174.69 1ff7 n GLY 78 N -0.37 2.00 0.08 -1.50 0.00 -1.26 -1.73 105.19 102.40 1ff7 n GLY 78 Ca 0.03 -2.13 -0.05 0.00 0.00 0.00 0.00 46.02 43.87 1ff7 n GLY 78 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1ff7 h ARG 79 N 0.00 0.00 -0.02 1.61 2.43 -2.00 -3.34 114.38 113.06 1ff7 h ARG 79 Ca 0.00 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 1ff7 h ARG 79 Cb 0.00 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 1ff7 h ARG 79 CO 0.00 0.75 -0.43 0.09 -1.51 0.00 0.00 179.97 178.87 1ff7 n ASN 80 N -3.23 1.81 -3.66 -3.80 5.03 -1.26 -4.94 115.26 105.21 1ff7 n ASN 80 Ca -0.04 -3.83 -0.24 0.00 0.87 0.00 0.00 54.58 51.34 1ff7 n ASN 80 Cb 0.93 -0.53 0.04 0.00 -1.02 0.00 0.00 39.78 39.19 1ff7 n ASN 80 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1ff7 n GLU 82 N -4.13 0.57 -3.67 0.00 0.00 -1.21 -3.89 120.64 108.32 1ff7 n GLU 82 Ca -0.22 -0.11 -0.35 0.00 0.00 0.00 0.00 57.16 56.48 1ff7 n GLU 82 Cb 0.65 -1.31 -0.05 0.00 0.00 0.00 0.00 31.44 30.73 1ff7 n GLU 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.13 178.12 1ff7 s THR 83 N -2.89 5.20 -0.41 3.84 2.01 -0.71 -5.00 115.64 117.69 1ff7 s THR 83 Ca -0.04 0.34 -0.02 0.00 0.31 0.00 0.00 61.69 62.28 1ff7 s THR 83 Cb 0.09 -3.61 0.11 0.00 0.01 0.00 0.00 72.50 69.10 1ff7 s THR 83 CO 0.56 0.36 0.19 -2.28 -0.69 0.00 0.00 174.62 172.76 1ff7 s HIS 84 N -1.32 3.61 -0.65 4.92 2.46 -1.26 -1.65 115.29 121.40 1ff7 s HIS 84 Ca 0.29 -2.55 -0.26 0.00 0.47 0.00 0.00 55.06 53.01 1ff7 s HIS 84 Cb -0.14 -3.17 -0.09 0.00 -0.13 0.00 0.00 32.58 29.05 1ff7 s HIS 84 CO 0.16 -0.96 2.34 0.15 -2.47 0.00 0.00 174.74 173.97 1ff7 s LYS 85 N 1.01 1.94 -1.04 2.88 1.02 0.27 -4.87 119.74 120.96 1ff7 s LYS 85 Ca 0.09 0.85 -0.20 0.00 0.02 0.00 0.00 55.97 56.73 1ff7 s LYS 85 Cb -0.22 -4.69 0.09 0.00 -0.52 0.00 0.00 37.83 32.49 1ff7 s LYS 85 CO -0.05 -3.76 1.39 -0.51 -0.92 0.00 0.00 175.35 171.49 1ff7 s ASP 86 N 11.11 6.63 0.31 2.83 1.01 -1.26 -4.72 116.67 132.57 1ff7 s ASP 86 Ca 0.92 -1.87 0.13 0.00 0.71 0.00 0.00 52.55 52.43 1ff7 s ASP 86 Cb -0.14 -2.51 0.45 0.00 1.01 0.00 0.00 42.92 41.73 1ff7 s ASP 86 CO 0.16 -1.27 1.65 -2.24 0.21 0.00 0.00 175.17 173.67 1ff7 h ASP 87 N 9.03 0.00 -4.37 0.27 2.03 -1.93 -3.43 116.42 118.02 1ff7 h ASP 87 Ca 0.23 0.00 -0.59 0.00 -0.73 0.00 0.00 57.03 55.93 1ff7 h ASP 87 Cb 0.99 0.00 -0.28 0.00 -0.83 0.00 0.00 39.33 39.20 1ff7 h ASP 87 CO 1.32 0.54 -0.85 -0.83 -1.03 0.00 0.00 179.24 178.39 1ff7 s GLY 88 N -4.43 1.04 0.31 7.15 0.00 -1.26 -5.13 107.32 105.00 1ff7 s GLY 88 Ca -0.01 -0.94 -0.14 0.00 0.00 0.00 0.00 44.72 43.63 1ff7 s GLY 88 CO 0.74 -0.82 0.71 -1.35 0.00 0.00 0.00 173.10 172.38 1ff7 s SER 89 N -0.73 6.75 0.00 1.64 1.04 -1.26 -5.21 113.70 115.93 1ff7 s SER 89 Ca 0.08 1.23 0.00 0.00 0.48 0.00 0.00 55.95 57.74 1ff7 s SER 89 Cb -0.08 -2.35 0.00 0.00 0.10 0.00 0.00 66.02 63.69 1ff7 s SER 89 CO 0.00 -0.19 0.36 0.00 0.98 0.00 0.00 173.24 174.38