#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 7.02 -0.87 6.43 2.03 -1.26 -4.55 116.55 125.36 1ff7 n ASP 46 Ca 0.00 -3.80 0.05 0.00 0.52 0.00 0.00 54.79 51.56 1ff7 n ASP 46 Cb 0.00 -0.98 0.16 0.00 -0.72 0.00 0.00 41.12 39.57 1ff7 n ASP 46 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ff7 n GLY 47 N -0.45 4.10 1.22 0.27 0.00 -1.26 -4.73 105.19 104.33 1ff7 n GLY 47 Ca 0.50 -1.22 -0.04 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.70 2.71 -0.03 1.61 9.92 -1.26 -4.55 116.55 124.25 1ff7 n ASP 48 Ca 0.16 -3.69 -0.07 0.00 -0.53 0.00 0.00 54.79 50.67 1ff7 n ASP 48 Cb 0.81 -0.64 -0.13 0.00 -0.64 0.00 0.00 41.12 40.52 1ff7 n ASP 48 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ff7 n GLN 49 N -1.06 0.64 -0.95 -1.24 3.00 -1.26 -4.17 117.38 112.34 1ff7 n GLN 49 Ca 0.34 0.20 -0.11 0.00 -0.01 0.00 0.00 57.00 57.42 1ff7 n GLN 49 Cb 1.07 -1.73 0.19 0.00 0.00 0.00 0.00 30.24 29.78 1ff7 n GLN 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1ff7 h ALA 51 N 1.02 0.63 -0.43 0.00 0.00 -1.85 -3.25 119.26 115.38 1ff7 h ALA 51 Ca 0.36 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1ff7 h ALA 51 Cb 2.05 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.82 1ff7 h ALA 51 CO 0.62 0.76 0.00 0.43 0.00 0.00 0.00 179.25 181.06 1ff7 n SER 52 N -3.17 4.08 -3.46 0.00 7.64 -1.26 -4.95 113.62 112.49 1ff7 n SER 52 Ca -0.01 -2.53 -0.16 0.00 1.01 0.00 0.00 58.87 57.17 1ff7 n SER 52 Cb 0.78 -0.58 0.01 0.00 -1.01 0.00 0.00 64.21 63.42 1ff7 n SER 52 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1ff7 n SER 53 N 0.56 -6.18 -0.03 6.43 7.64 -1.23 -4.91 113.62 115.90 1ff7 n SER 53 Ca 0.19 -0.63 -0.16 0.00 1.01 0.00 0.00 58.87 59.29 1ff7 n SER 53 Cb 0.83 -3.62 -0.08 0.00 -1.01 0.00 0.00 64.21 60.34 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 -0.42 0.55 -6.64 1.43 0.13 -1.87 -3.43 132.00 121.76 1ff7 h PRO 54 Ca -0.40 -0.44 -0.53 0.00 -0.87 0.00 0.00 66.00 63.77 1ff7 h PRO 54 Cb 1.23 0.09 0.03 0.00 0.13 0.00 0.00 31.00 32.48 1ff7 h PRO 54 CO 0.37 1.06 0.71 0.00 -0.23 0.00 0.00 178.00 179.91 1ff7 n GLN 56 N 3.15 0.77 -3.79 0.00 10.64 -0.92 -4.73 117.38 122.49 1ff7 n GLN 56 Ca 0.09 -0.14 -0.25 0.00 -1.83 0.00 0.00 57.00 54.87 1ff7 n GLN 56 Cb 0.42 0.08 0.03 0.00 -0.86 0.00 0.00 30.24 29.91 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 -2.19 -2.72 -2.26 2.61 3.02 -1.26 -0.80 115.26 111.66 1ff7 n ASN 57 Ca -0.00 -0.80 -0.21 0.00 -0.03 0.00 0.00 54.58 53.54 1ff7 n ASN 57 Cb 0.03 -3.98 -0.02 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 -1.64 -0.07 3.86 7.41 0.00 -1.26 -4.96 105.19 108.53 1ff7 n GLY 58 Ca -0.16 -0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.18 2.24 0.37 -0.02 0.00 0.02 -4.92 107.32 102.82 1ff7 s GLY 59 Ca 0.00 -0.13 -0.06 0.00 0.00 0.00 0.00 44.72 44.53 1ff7 s GLY 59 CO 0.00 0.04 0.66 -0.56 0.00 0.00 0.00 173.10 173.24 1ff7 s SER 60 N -2.46 6.41 0.03 1.64 0.01 -0.92 -4.59 113.70 113.82 1ff7 s SER 60 Ca 0.51 0.83 0.08 0.00 1.31 0.00 0.00 55.95 58.68 1ff7 s SER 60 Cb -0.11 -2.20 -0.03 0.00 0.21 0.00 0.00 66.02 63.90 1ff7 s SER 60 CO 0.21 -0.34 -0.24 0.00 0.41 0.00 0.00 173.24 173.28 1ff7 s LYS 62 N -1.09 0.17 -0.11 0.00 2.20 -0.55 -4.95 119.74 115.41 1ff7 s LYS 62 Ca 0.10 0.12 -0.30 0.00 -0.36 0.00 0.00 55.97 55.54 1ff7 s LYS 62 Cb -0.09 -0.40 -0.02 0.00 -1.51 0.00 0.00 37.83 35.81 1ff7 s LYS 62 CO 0.01 -0.15 1.16 0.16 -0.36 0.00 0.00 175.35 176.17 1ff7 s ASP 63 N 1.07 7.07 0.39 1.43 -4.77 -1.26 -1.87 116.67 118.74 1ff7 s ASP 63 Ca -0.09 1.68 0.03 0.00 -3.30 0.00 0.00 52.55 50.87 1ff7 s ASP 63 Cb -0.13 -2.55 -0.01 0.00 -1.09 0.00 0.00 42.92 39.13 1ff7 s ASP 63 CO -0.02 -0.60 0.10 0.00 0.70 0.00 0.00 175.17 175.35 1ff7 n GLN 64 N 5.58 0.67 -1.41 2.11 6.02 -1.16 -4.96 117.38 124.23 1ff7 n GLN 64 Ca 0.11 -3.18 -0.35 0.00 -0.01 0.00 0.00 57.00 53.57 1ff7 n GLN 64 Cb 0.46 1.53 0.10 0.00 1.02 0.00 0.00 30.24 33.35 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 3.32 0.00 1.08 2.01 -1.26 -4.23 118.68 119.60 1ff7 s LEU 65 Ca 0.15 2.41 0.00 0.00 0.01 0.00 0.00 54.13 56.70 1ff7 s LEU 65 Cb 0.01 -4.59 0.00 0.00 0.01 0.00 0.00 46.19 41.61 1ff7 s LEU 65 CO 0.10 -2.32 0.00 0.00 1.01 0.00 0.00 176.35 175.14 1ff7 n GLN 66 N -2.72 0.00 0.00 1.70 6.02 -1.26 -4.56 117.38 116.57 1ff7 n GLN 66 Ca 0.14 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.13 1ff7 n GLN 66 Cb 0.50 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.76 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 1.90 0.64 -1.97 1.08 3.41 -1.26 -5.00 113.62 112.42 1ff7 n SER 67 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 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 0.00 -0.18 -3.70 7.33 0.18 -1.26 -3.01 117.16 116.52 1ff7 n TYR 68 Ca 0.00 0.00 -0.11 0.00 1.88 0.00 0.00 57.90 59.67 1ff7 n TYR 68 Cb 0.00 0.00 -0.12 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 -0.85 -0.08 -0.21 -3.48 2.07 -0.78 -4.84 121.20 113.03 1ff7 s ILE 69 Ca 0.00 0.12 -0.13 0.00 -1.41 0.00 0.00 60.65 59.23 1ff7 s ILE 69 Cb 0.00 -0.54 -0.04 0.00 0.13 0.00 0.00 42.46 42.01 1ff7 s ILE 69 CO 0.00 0.05 0.28 0.00 -1.91 0.00 0.00 174.94 173.36 1ff7 s PHE 71 N 1.07 2.91 0.71 0.00 0.40 0.39 -4.83 117.98 118.64 1ff7 s PHE 71 Ca 0.14 -0.22 -0.06 0.00 -0.60 0.00 0.00 56.93 56.18 1ff7 s PHE 71 Cb -0.14 -3.82 0.07 0.00 0.51 0.00 0.00 43.02 39.64 1ff7 s PHE 71 CO 0.06 -1.20 1.02 0.00 0.70 0.00 0.00 175.22 175.80 1ff7 s LEU 73 N -5.26 2.94 0.31 0.00 1.43 -1.26 -4.95 118.68 111.89 1ff7 s LEU 73 Ca 0.61 0.27 0.23 0.00 -1.03 0.00 0.00 54.13 54.21 1ff7 s LEU 73 Cb -0.10 -2.94 1.12 0.00 0.03 0.00 0.00 46.19 44.30 1ff7 s LEU 73 CO 0.45 -1.54 1.71 1.55 0.23 0.00 0.00 176.35 178.75 1ff7 h PRO 74 N -0.45 0.00 -0.60 1.29 0.13 -1.98 -1.88 132.00 128.51 1ff7 h PRO 74 Ca -0.43 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.43 1ff7 h PRO 74 Cb 1.31 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.28 1ff7 h PRO 74 CO 0.56 0.00 0.20 0.00 -0.23 0.00 0.00 178.00 178.53 1ff7 n ALA 75 N -1.79 4.59 -2.19 -0.56 0.00 -1.26 -4.90 120.51 114.39 1ff7 n ALA 75 Ca 0.00 -2.85 -0.11 0.00 0.00 0.00 0.00 53.44 50.48 1ff7 n ALA 75 Cb 0.13 -1.03 -0.10 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 -3.18 1.02 0.28 0.00 0.40 -0.71 0.10 117.98 115.89 1ff7 s PHE 76 Ca 0.50 -1.12 -0.09 0.00 -0.60 0.00 0.00 56.93 55.62 1ff7 s PHE 76 Cb 0.43 -0.58 -0.00 0.00 0.51 0.00 0.00 43.02 43.37 1ff7 s PHE 76 CO 0.06 -0.36 0.46 -2.00 0.70 0.00 0.00 175.22 174.09 1ff7 s GLU 77 N -3.97 1.66 0.00 0.44 2.56 -0.51 -4.68 118.70 114.20 1ff7 s GLU 77 Ca 0.23 -1.44 0.00 0.00 0.00 0.00 0.00 54.97 53.76 1ff7 s GLU 77 Cb 0.07 0.45 0.00 0.00 2.00 0.00 0.00 34.13 36.65 1ff7 s GLU 77 CO 0.02 -0.69 0.00 0.41 -0.56 0.00 0.00 175.26 174.44 1ff7 n GLY 78 N -0.43 -3.31 0.14 -1.50 0.00 -1.26 -1.61 105.19 97.21 1ff7 n GLY 78 Ca -0.01 -2.15 -0.21 0.00 0.00 0.00 0.00 46.02 43.65 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 1.39 0.31 -0.65 1.61 3.08 -1.99 -3.36 114.38 114.76 1ff7 h ARG 79 Ca 0.00 -0.52 -0.29 0.00 0.07 0.00 0.00 59.98 59.23 1ff7 h ARG 79 Cb 0.00 0.20 -0.18 0.00 0.08 0.00 0.00 29.97 30.07 1ff7 h ARG 79 CO 0.00 1.23 0.26 0.09 -1.07 0.00 0.00 179.97 180.48 1ff7 n ASN 80 N -3.51 3.52 -2.10 7.04 5.03 -1.26 -4.19 115.26 119.78 1ff7 n ASN 80 Ca -0.28 -3.54 -0.17 0.00 0.87 0.00 0.00 54.58 51.45 1ff7 n ASN 80 Cb 1.06 -0.72 -0.03 0.00 -1.02 0.00 0.00 39.78 39.06 1ff7 n ASN 80 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1ff7 h GLU 82 N 0.00 0.00 -6.25 0.00 4.11 -1.84 -3.40 114.58 107.20 1ff7 h GLU 82 Ca -0.40 0.00 -0.53 0.00 0.07 0.00 0.00 59.36 58.51 1ff7 h GLU 82 Cb 1.25 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.48 1ff7 h GLU 82 CO 0.50 0.09 -0.32 0.99 0.07 0.00 0.00 179.01 180.34 1ff7 s THR 83 N -3.36 5.19 0.15 -1.06 2.01 -0.64 -4.99 115.64 112.95 1ff7 s THR 83 Ca 0.04 -0.39 0.08 0.00 0.31 0.00 0.00 61.69 61.74 1ff7 s THR 83 Cb 0.07 -3.75 -0.04 0.00 0.01 0.00 0.00 72.50 68.79 1ff7 s THR 83 CO 0.64 -0.22 -0.10 -1.00 -0.69 0.00 0.00 174.62 173.26 1ff7 s HIS 84 N -1.92 2.68 -0.38 4.92 3.76 -1.26 -1.42 115.29 121.67 1ff7 s HIS 84 Ca 0.39 -0.19 0.01 0.00 -0.15 0.00 0.00 55.06 55.11 1ff7 s HIS 84 Cb -0.11 -1.35 0.13 0.00 1.11 0.00 0.00 32.58 32.36 1ff7 s HIS 84 CO 0.30 0.47 0.20 0.15 -0.85 0.00 0.00 174.74 175.01 1ff7 s LYS 85 N -2.55 0.85 -0.44 1.40 -0.14 0.29 -4.66 119.74 114.49 1ff7 s LYS 85 Ca 0.23 -1.54 0.07 0.00 -1.36 0.00 0.00 55.97 53.38 1ff7 s LYS 85 Cb -0.10 -1.80 0.28 0.00 -1.68 0.00 0.00 37.83 34.53 1ff7 s LYS 85 CO 0.14 -1.15 0.84 -0.40 -0.76 0.00 0.00 175.35 174.02 1ff7 n ASP 86 N 4.00 -1.44 -0.94 2.83 5.75 -1.26 -4.41 116.55 121.07 1ff7 n ASP 86 Ca 0.08 -3.23 0.12 0.00 -0.01 0.00 0.00 54.79 51.76 1ff7 n ASP 86 Cb 0.37 0.90 -0.03 0.00 -1.03 0.00 0.00 41.12 41.32 1ff7 n ASP 86 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1ff7 n ASP 87 N 1.02 -5.57 0.00 -1.12 -0.08 -1.26 -5.00 116.55 104.54 1ff7 n ASP 87 Ca 0.14 0.99 0.00 0.00 -1.51 0.00 0.00 54.79 54.40 1ff7 n ASP 87 Cb 0.63 -2.95 0.00 0.00 2.34 0.00 0.00 41.12 41.15 1ff7 n ASP 87 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1ff7 n GLY 88 N -2.86 5.33 3.12 0.27 0.00 -1.26 -5.02 105.19 104.78 1ff7 n GLY 88 Ca 0.01 -1.41 -0.18 0.00 0.00 0.00 0.00 46.02 44.44 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 0.00 -7.02 0.00 1.61 2.88 -1.26 -5.30 113.62 104.53 1ff7 n SER 89 Ca 0.00 0.19 0.00 0.00 -1.33 0.00 0.00 58.87 57.73 1ff7 n SER 89 Cb 0.00 -4.03 0.00 0.00 -0.75 0.00 0.00 64.21 59.43 1ff7 n SER 89 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81