#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ff7 n ASP 46 N 0.00 6.69 -2.79 6.43 8.00 -1.26 -4.40 116.55 129.23 1ff7 n ASP 46 Ca 0.00 -3.32 -0.10 0.00 0.71 0.00 0.00 54.79 52.08 1ff7 n ASP 46 Cb 0.00 -1.18 0.08 0.00 -0.02 0.00 0.00 41.12 39.99 1ff7 n ASP 46 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ff7 n GLY 47 N 0.53 1.29 0.80 0.44 0.00 -1.26 -4.59 105.19 102.40 1ff7 n GLY 47 Ca 0.49 -0.36 0.06 0.00 0.00 0.00 0.00 46.02 46.20 1ff7 n GLY 47 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ff7 n ASP 48 N 0.08 1.51 0.05 1.61 8.00 -1.26 -4.73 116.55 121.81 1ff7 n ASP 48 Ca 0.07 -3.27 0.04 0.00 0.71 0.00 0.00 54.79 52.34 1ff7 n ASP 48 Cb 0.74 -0.45 -0.06 0.00 -0.02 0.00 0.00 41.12 41.33 1ff7 n ASP 48 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 1ff7 n GLN 49 N -0.67 0.62 -1.03 -1.24 -0.06 -1.26 -4.00 117.38 109.73 1ff7 n GLN 49 Ca 0.15 0.16 -0.12 0.00 -2.00 0.00 0.00 57.00 55.19 1ff7 n GLN 49 Cb 0.81 -1.79 0.24 0.00 -4.06 0.00 0.00 30.24 25.44 1ff7 n GLN 49 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1ff7 h ALA 51 N 1.68 0.69 -0.46 0.00 0.00 -1.90 -3.24 119.26 116.04 1ff7 h ALA 51 Ca 0.39 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1ff7 h ALA 51 Cb 2.38 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 20.13 1ff7 h ALA 51 CO 0.79 0.59 0.00 0.43 0.00 0.00 0.00 179.25 181.07 1ff7 n SER 52 N -3.18 4.76 -3.35 0.00 7.64 -1.26 -4.96 113.62 113.27 1ff7 n SER 52 Ca 0.01 -2.73 -0.12 0.00 1.01 0.00 0.00 58.87 57.04 1ff7 n SER 52 Cb 0.73 -0.65 0.00 0.00 -1.01 0.00 0.00 64.21 63.28 1ff7 n SER 52 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1ff7 n SER 53 N 0.50 -6.56 -0.03 6.43 2.88 -1.22 -4.92 113.62 110.70 1ff7 n SER 53 Ca 0.22 -0.38 -0.15 0.00 -1.33 0.00 0.00 58.87 57.23 1ff7 n SER 53 Cb 1.00 -3.72 -0.09 0.00 -0.75 0.00 0.00 64.21 60.65 1ff7 n SER 53 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1ff7 h PRO 54 N 0.38 0.39 -7.09 -1.46 0.13 -1.86 -3.45 132.00 119.04 1ff7 h PRO 54 Ca -0.28 -0.32 -0.49 0.00 -0.87 0.00 0.00 66.00 64.05 1ff7 h PRO 54 Cb 1.18 0.07 0.03 0.00 0.13 0.00 0.00 31.00 32.40 1ff7 h PRO 54 CO 0.32 0.96 0.27 0.00 -0.23 0.00 0.00 178.00 179.32 1ff7 n GLN 56 N -1.85 0.00 -3.76 0.00 10.64 -0.80 -4.85 117.38 116.76 1ff7 n GLN 56 Ca 0.04 0.00 -0.24 0.00 -1.83 0.00 0.00 57.00 54.97 1ff7 n GLN 56 Cb 0.54 0.00 0.04 0.00 -0.86 0.00 0.00 30.24 29.96 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 -2.74 -2.28 2.61 3.02 -1.26 -0.87 115.26 113.74 1ff7 n ASN 57 Ca 0.00 -0.78 -0.20 0.00 -0.03 0.00 0.00 54.58 53.56 1ff7 n ASN 57 Cb 0.00 -4.10 -0.02 0.00 -0.61 0.00 0.00 39.78 35.05 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 -1.63 -0.13 3.79 7.41 0.00 -1.26 -4.95 105.19 108.42 1ff7 n GLY 58 Ca -0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.15 2.80 0.07 -0.02 0.00 -0.05 -4.96 107.32 103.02 1ff7 s GLY 59 Ca 0.00 0.27 -0.18 0.00 0.00 0.00 0.00 44.72 44.81 1ff7 s GLY 59 CO 0.00 0.72 0.55 -0.56 0.00 0.00 0.00 173.10 173.81 1ff7 s SER 60 N -1.31 7.01 0.23 1.64 0.01 -0.88 -4.72 113.70 115.68 1ff7 s SER 60 Ca 0.38 1.21 0.11 0.00 1.31 0.00 0.00 55.95 58.96 1ff7 s SER 60 Cb -0.21 -2.34 -0.05 0.00 0.21 0.00 0.00 66.02 63.64 1ff7 s SER 60 CO 0.24 0.26 -0.19 0.00 0.41 0.00 0.00 173.24 173.96 1ff7 s LYS 62 N -3.09 0.42 0.23 0.00 2.47 0.11 -4.93 119.74 114.96 1ff7 s LYS 62 Ca 0.26 0.33 -0.29 0.00 -1.56 0.00 0.00 55.97 54.71 1ff7 s LYS 62 Cb -0.07 0.20 -0.09 0.00 -1.46 0.00 0.00 37.83 36.41 1ff7 s LYS 62 CO 0.13 -0.07 0.91 -0.51 0.16 0.00 0.00 175.35 175.98 1ff7 s ASP 63 N -0.09 7.58 0.00 1.43 1.01 -1.26 -1.79 116.67 123.55 1ff7 s ASP 63 Ca -0.02 1.89 0.00 0.00 0.71 0.00 0.00 52.55 55.12 1ff7 s ASP 63 Cb -0.03 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 41.31 1ff7 s ASP 63 CO 0.01 0.15 0.00 0.00 0.21 0.00 0.00 175.17 175.54 1ff7 n GLN 64 N 1.44 0.00 -2.58 8.23 6.02 -1.23 -4.89 117.38 124.36 1ff7 n GLN 64 Ca -0.02 0.00 -0.35 0.00 -0.01 0.00 0.00 57.00 56.62 1ff7 n GLN 64 Cb 0.48 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.69 1ff7 n GLN 64 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1ff7 s LEU 65 N 0.00 3.99 0.00 1.08 1.02 -1.26 -4.55 118.68 118.96 1ff7 s LEU 65 Ca 0.00 1.95 0.00 0.00 0.02 0.00 0.00 54.13 56.10 1ff7 s LEU 65 Cb 0.00 -4.39 0.00 0.00 0.02 0.00 0.00 46.19 41.82 1ff7 s LEU 65 CO 0.00 -0.60 0.00 0.00 0.02 0.00 0.00 176.35 175.77 1ff7 n GLN 66 N -0.53 0.00 -0.64 1.70 6.02 -1.26 -4.58 117.38 118.08 1ff7 n GLN 66 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.06 1ff7 n GLN 66 Cb 0.51 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.77 1ff7 n GLN 66 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 1ff7 n SER 67 N 1.92 0.00 -2.11 1.08 7.64 -1.26 -4.95 113.62 115.94 1ff7 n SER 67 Ca 0.00 -0.65 -0.01 0.00 1.01 0.00 0.00 58.87 59.22 1ff7 n SER 67 Cb 0.00 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1ff7 n SER 67 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ff7 n TYR 68 N -0.66 -0.75 -3.74 1.43 0.18 -1.26 -3.57 117.16 108.79 1ff7 n TYR 68 Ca 0.00 -0.10 -0.13 0.00 1.88 0.00 0.00 57.90 59.56 1ff7 n TYR 68 Cb 0.00 -0.02 -0.11 0.00 -0.38 0.00 0.00 39.34 38.84 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 -0.57 -0.01 0.02 -3.48 2.07 -0.74 -4.87 121.20 113.64 1ff7 s ILE 69 Ca 0.01 0.02 0.08 0.00 -1.41 0.00 0.00 60.65 59.36 1ff7 s ILE 69 Cb -0.00 -0.53 -0.03 0.00 0.13 0.00 0.00 42.46 42.04 1ff7 s ILE 69 CO 0.00 0.01 -0.25 0.00 -1.91 0.00 0.00 174.94 172.79 1ff7 s PHE 71 N -0.73 3.42 0.11 0.00 0.08 0.28 -4.93 117.98 116.20 1ff7 s PHE 71 Ca 0.10 -1.98 0.01 0.00 0.12 0.00 0.00 56.93 55.18 1ff7 s PHE 71 Cb -0.10 -2.81 0.01 0.00 -0.57 0.00 0.00 43.02 39.56 1ff7 s PHE 71 CO 0.01 -0.88 0.08 0.00 -0.10 0.00 0.00 175.22 174.33 1ff7 s LEU 73 N 0.00 3.85 0.22 0.00 1.43 -1.26 -4.97 118.68 117.95 1ff7 s LEU 73 Ca 0.06 0.26 0.20 0.00 -1.03 0.00 0.00 54.13 53.62 1ff7 s LEU 73 Cb -0.00 -3.14 0.90 0.00 0.03 0.00 0.00 46.19 43.97 1ff7 s LEU 73 CO 0.04 -0.49 1.60 -0.81 0.23 0.00 0.00 176.35 176.91 1ff7 n PRO 74 N -1.88 0.14 -0.45 1.29 -0.04 -1.26 -1.92 135.00 130.87 1ff7 n PRO 74 Ca -0.01 0.46 0.05 0.00 -0.04 0.00 0.00 63.50 63.96 1ff7 n PRO 74 Cb 0.57 -1.81 0.23 0.00 -0.04 0.00 0.00 33.50 32.45 1ff7 n PRO 74 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ff7 n ALA 75 N -1.71 3.07 -2.54 0.55 0.00 -1.26 -4.81 120.51 113.80 1ff7 n ALA 75 Ca 0.01 -1.04 -0.14 0.00 0.00 0.00 0.00 53.44 52.27 1ff7 n ALA 75 Cb 0.15 -1.04 -0.11 0.00 0.00 0.00 0.00 19.45 18.45 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 -1.87 0.94 0.36 0.00 0.40 -0.81 0.11 117.98 117.11 1ff7 s PHE 76 Ca 0.32 -0.65 -0.01 0.00 -0.60 0.00 0.00 56.93 55.99 1ff7 s PHE 76 Cb 0.22 -0.53 0.00 0.00 0.51 0.00 0.00 43.02 43.23 1ff7 s PHE 76 CO 0.13 -0.05 0.48 -2.00 0.70 0.00 0.00 175.22 174.48 1ff7 s GLU 77 N -2.59 1.98 0.00 0.44 2.12 -0.88 -4.79 118.70 114.98 1ff7 s GLU 77 Ca 0.02 -1.83 0.00 0.00 0.36 0.00 0.00 54.97 53.52 1ff7 s GLU 77 Cb -0.04 0.44 0.00 0.00 0.26 0.00 0.00 34.13 34.80 1ff7 s GLU 77 CO -0.01 -0.82 0.00 0.41 -0.54 0.00 0.00 175.26 174.30 1ff7 n GLY 78 N -0.60 2.68 0.31 -1.50 0.00 -1.26 -2.17 105.19 102.65 1ff7 n GLY 78 Ca 0.01 -1.83 0.15 0.00 0.00 0.00 0.00 46.02 44.36 1ff7 n GLY 78 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1ff7 h ARG 79 N 0.00 0.00 0.00 1.61 -0.00 -2.01 -2.45 114.38 111.53 1ff7 h ARG 79 Ca 0.00 0.00 -0.07 0.00 -0.50 0.00 0.00 59.98 59.41 1ff7 h ARG 79 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 29.97 29.82 1ff7 h ARG 79 CO 0.00 0.00 -0.68 0.09 0.00 0.00 0.00 179.97 179.38 1ff7 n ASN 80 N -3.88 1.40 -3.68 7.04 5.03 -1.26 -4.95 115.26 114.96 1ff7 n ASN 80 Ca -0.01 -3.05 -0.24 0.00 0.87 0.00 0.00 54.58 52.15 1ff7 n ASN 80 Cb 0.18 -0.42 0.03 0.00 -1.02 0.00 0.00 39.78 38.55 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 -4.16 0.67 -3.38 0.00 0.28 -0.93 -4.09 120.64 109.03 1ff7 n GLU 82 Ca -0.23 -0.12 -0.19 0.00 -0.16 0.00 0.00 57.16 56.46 1ff7 n GLU 82 Cb 0.65 -1.54 -0.01 0.00 1.43 0.00 0.00 31.44 31.97 1ff7 n GLU 82 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 177.13 176.89 1ff7 s THR 83 N -3.20 3.13 0.26 3.84 -1.32 -0.92 -4.99 115.64 112.45 1ff7 s THR 83 Ca -0.08 -1.17 0.09 0.00 -1.21 0.00 0.00 61.69 59.32 1ff7 s THR 83 Cb 0.11 -3.09 -0.04 0.00 -1.51 0.00 0.00 72.50 67.97 1ff7 s THR 83 CO 0.88 -0.05 0.04 -1.00 -2.21 0.00 0.00 174.62 172.28 1ff7 s HIS 84 N -2.36 2.78 -0.18 9.09 3.76 -1.26 -2.07 115.29 125.05 1ff7 s HIS 84 Ca 0.49 -0.20 0.01 0.00 -0.15 0.00 0.00 55.06 55.21 1ff7 s HIS 84 Cb -0.07 -1.24 0.02 0.00 1.11 0.00 0.00 32.58 32.40 1ff7 s HIS 84 CO 0.30 0.60 -0.19 0.15 -0.85 0.00 0.00 174.74 174.74 1ff7 s LYS 85 N -3.71 3.01 -0.53 1.40 1.02 0.29 -4.70 119.74 116.52 1ff7 s LYS 85 Ca 0.32 -0.82 0.03 0.00 0.02 0.00 0.00 55.97 55.52 1ff7 s LYS 85 Cb -0.07 -2.58 0.41 0.00 -0.52 0.00 0.00 37.83 35.07 1ff7 s LYS 85 CO 0.21 -0.19 1.35 -0.40 -0.92 0.00 0.00 175.35 175.40 1ff7 n ASP 86 N 4.57 5.45 -4.48 2.83 5.68 -1.26 -4.74 116.55 124.60 1ff7 n ASP 86 Ca -0.21 -3.75 -0.43 0.00 -0.50 0.00 0.00 54.79 49.90 1ff7 n ASP 86 Cb 0.50 -0.61 -0.02 0.00 -1.14 0.00 0.00 41.12 39.85 1ff7 n ASP 86 CO 0.00 0.00 0.00 -1.81 -1.33 0.00 0.00 177.20 174.06 1ff7 s ASP 87 N -2.93 6.62 0.00 -1.12 1.11 -1.26 -4.73 116.67 114.37 1ff7 s ASP 87 Ca 0.49 -1.96 0.00 0.00 0.18 0.00 0.00 52.55 51.27 1ff7 s ASP 87 Cb 0.41 -2.45 0.00 0.00 1.07 0.00 0.00 42.92 41.96 1ff7 s ASP 87 CO -0.23 -1.16 0.00 0.61 1.18 0.00 0.00 175.17 175.57 1ff7 n GLY 88 N 5.77 1.02 2.84 0.21 0.00 -1.26 -4.98 105.19 108.78 1ff7 n GLY 88 Ca 0.27 -0.56 -0.02 0.00 0.00 0.00 0.00 46.02 45.72 1ff7 n GLY 88 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ff7 n SER 89 N 2.99 -5.40 -0.57 1.61 2.88 -1.26 -5.27 113.62 108.60 1ff7 n SER 89 Ca 0.00 1.14 0.14 0.00 -1.33 0.00 0.00 58.87 58.82 1ff7 n SER 89 Cb 0.00 -3.99 0.44 0.00 -0.75 0.00 0.00 64.21 59.91 1ff7 n SER 89 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81