#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 5.53 0.11 6.43 2.15 -1.26 -4.90 116.67 124.73 1ff7 s ASP 46 Ca 0.00 0.19 0.00 0.00 0.43 0.00 0.00 52.55 53.17 1ff7 s ASP 46 Cb 0.00 -1.60 0.00 0.00 -0.30 0.00 0.00 42.92 41.02 1ff7 s ASP 46 CO 0.00 0.35 0.00 0.61 -0.17 0.00 0.00 175.17 175.96 1ff7 n GLY 47 N 1.82 -5.05 1.11 2.66 0.00 -1.26 -4.44 105.19 100.04 1ff7 n GLY 47 Ca -0.17 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 1.45 0.00 -2.07 1.61 9.92 -1.25 -4.58 116.55 121.63 1ff7 n ASP 48 Ca 0.00 0.00 -0.13 0.00 -0.53 0.00 0.00 54.79 54.13 1ff7 n ASP 48 Cb 0.00 0.00 -0.02 0.00 -0.64 0.00 0.00 41.12 40.46 1ff7 n ASP 48 CO 0.00 0.00 0.00 1.67 0.13 0.00 0.00 177.20 179.00 1ff7 n GLN 49 N -2.41 -1.86 0.00 -1.24 -0.06 -1.26 -4.22 117.38 106.33 1ff7 n GLN 49 Ca 0.00 0.69 0.01 0.00 -2.00 0.00 0.00 57.00 55.71 1ff7 n GLN 49 Cb 0.00 -5.17 -0.01 0.00 -4.06 0.00 0.00 30.24 21.00 1ff7 n GLN 49 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1ff7 n ALA 51 N -0.88 3.44 -1.20 0.00 0.00 -1.26 -3.98 120.51 116.63 1ff7 n ALA 51 Ca 0.01 -1.14 0.09 0.00 0.00 0.00 0.00 53.44 52.39 1ff7 n ALA 51 Cb 0.05 -1.10 0.16 0.00 0.00 0.00 0.00 19.45 18.56 1ff7 n ALA 51 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ff7 n SER 52 N 0.20 2.20 -3.80 0.00 2.88 -1.26 -4.99 113.62 108.85 1ff7 n SER 52 Ca 0.18 -3.29 -0.25 0.00 -1.33 0.00 0.00 58.87 54.18 1ff7 n SER 52 Cb 0.84 -0.45 0.01 0.00 -0.75 0.00 0.00 64.21 63.86 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 -1.36 -1.86 0.05 -3.46 7.64 -1.26 -4.88 113.62 108.49 1ff7 n SER 53 Ca 0.17 -0.95 -0.11 0.00 1.01 0.00 0.00 58.87 58.99 1ff7 n SER 53 Cb 0.65 -3.47 0.01 0.00 -1.01 0.00 0.00 64.21 60.38 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 -1.85 0.44 -6.91 1.43 0.13 -1.87 -3.44 132.00 119.92 1ff7 h PRO 54 Ca -0.63 -0.38 -0.50 0.00 -0.87 0.00 0.00 66.00 63.62 1ff7 h PRO 54 Cb 1.37 0.08 0.03 0.00 0.13 0.00 0.00 31.00 32.61 1ff7 h PRO 54 CO 0.57 1.02 0.46 0.00 -0.23 0.00 0.00 178.00 179.82 1ff7 s GLN 56 N -2.15 2.17 -1.40 0.00 1.11 -0.46 -4.60 119.66 114.33 1ff7 s GLN 56 Ca 0.54 -2.39 -0.05 0.00 0.01 0.00 0.00 55.36 53.48 1ff7 s GLN 56 Cb -0.28 -1.34 0.03 0.00 -1.01 0.00 0.00 33.01 30.41 1ff7 s GLN 56 CO 0.35 -0.41 0.74 0.09 0.01 0.00 0.00 175.29 176.07 1ff7 n ASN 57 N -1.31 -2.12 -2.55 5.90 3.02 -1.13 -0.83 115.26 116.24 1ff7 n ASN 57 Ca -0.18 -0.84 -0.21 0.00 -0.03 0.00 0.00 54.58 53.32 1ff7 n ASN 57 Cb 0.67 -3.82 0.01 0.00 -0.61 0.00 0.00 39.78 36.03 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 -1.67 -0.47 3.77 7.41 0.00 -1.26 -4.95 105.19 108.02 1ff7 n GLY 58 Ca -0.19 0.02 -0.38 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.32 2.89 -0.22 -0.02 0.00 -0.01 -4.93 107.32 102.71 1ff7 s GLY 59 Ca 0.11 0.68 -0.20 0.00 0.00 0.00 0.00 44.72 45.31 1ff7 s GLY 59 CO 0.14 1.18 0.61 -0.56 0.00 0.00 0.00 173.10 174.46 1ff7 s SER 60 N -1.36 6.62 0.13 1.64 0.01 -0.82 -4.69 113.70 115.22 1ff7 s SER 60 Ca 0.50 0.75 -0.16 0.00 1.31 0.00 0.00 55.95 58.35 1ff7 s SER 60 Cb -0.24 -2.33 -0.07 0.00 0.21 0.00 0.00 66.02 63.59 1ff7 s SER 60 CO 0.30 -0.29 0.56 0.00 0.41 0.00 0.00 173.24 174.22 1ff7 s LYS 62 N -1.73 0.10 -0.01 0.00 2.20 -0.45 -4.94 119.74 114.91 1ff7 s LYS 62 Ca 0.35 0.12 -0.30 0.00 -0.36 0.00 0.00 55.97 55.78 1ff7 s LYS 62 Cb -0.16 0.05 -0.05 0.00 -1.51 0.00 0.00 37.83 36.16 1ff7 s LYS 62 CO 0.19 -0.01 1.28 -0.51 -0.36 0.00 0.00 175.35 175.94 1ff7 s ASP 63 N 0.05 6.97 0.00 1.43 1.11 -1.26 -1.90 116.67 123.07 1ff7 s ASP 63 Ca -0.00 1.99 0.00 0.00 0.18 0.00 0.00 52.55 54.72 1ff7 s ASP 63 Cb -0.01 -2.56 0.00 0.00 1.07 0.00 0.00 42.92 41.42 1ff7 s ASP 63 CO 0.00 -0.62 0.00 0.00 1.18 0.00 0.00 175.17 175.74 1ff7 n GLN 64 N 4.96 1.19 -1.71 8.23 1.13 -1.16 -4.91 117.38 125.11 1ff7 n GLN 64 Ca 0.11 0.00 -0.42 0.00 -1.94 0.00 0.00 57.00 54.75 1ff7 n GLN 64 Cb 0.45 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.77 1ff7 n GLN 64 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 1ff7 s LEU 65 N 0.00 4.41 0.00 1.08 1.98 -1.26 -4.36 118.68 120.54 1ff7 s LEU 65 Ca 0.00 2.69 0.00 0.00 -2.89 0.00 0.00 54.13 53.93 1ff7 s LEU 65 Cb 0.00 -3.55 0.00 0.00 0.66 0.00 0.00 46.19 43.30 1ff7 s LEU 65 CO 0.00 -1.02 0.00 0.00 -1.89 0.00 0.00 176.35 173.44 1ff7 n GLN 66 N 6.61 0.00 0.00 1.98 1.13 -1.26 -4.60 117.38 121.25 1ff7 n GLN 66 Ca 0.19 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.25 1ff7 n GLN 66 Cb 0.40 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.75 1ff7 n GLN 66 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 1ff7 n SER 67 N 1.79 0.00 -1.41 1.08 7.64 -1.26 -3.90 113.62 117.57 1ff7 n SER 67 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 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 -0.16 0.00 -3.77 1.43 4.11 -1.26 -3.00 117.16 114.51 1ff7 n TYR 68 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 57.90 57.77 1ff7 n TYR 68 Cb 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 39.34 39.22 1ff7 n TYR 68 CO 0.00 0.00 0.00 -1.50 -0.00 0.00 0.00 176.86 175.36 1ff7 s ILE 69 N -1.42 -0.01 -0.37 -3.48 2.07 -0.80 -4.80 121.20 112.39 1ff7 s ILE 69 Ca 0.00 0.05 -0.12 0.00 -1.41 0.00 0.00 60.65 59.18 1ff7 s ILE 69 Cb 0.00 -0.35 0.01 0.00 0.13 0.00 0.00 42.46 42.26 1ff7 s ILE 69 CO 0.00 0.02 0.22 0.00 -1.91 0.00 0.00 174.94 173.27 1ff7 s PHE 71 N 1.61 2.82 0.00 0.00 0.08 0.24 -4.80 117.98 117.92 1ff7 s PHE 71 Ca 0.04 -0.78 0.00 0.00 0.12 0.00 0.00 56.93 56.30 1ff7 s PHE 71 Cb -0.19 -4.23 0.00 0.00 -0.57 0.00 0.00 43.02 38.04 1ff7 s PHE 71 CO 0.08 -1.54 0.00 0.00 -0.10 0.00 0.00 175.22 173.65 1ff7 s LEU 73 N 0.00 3.45 0.37 0.00 1.43 -1.26 -4.96 118.68 117.71 1ff7 s LEU 73 Ca 0.00 0.78 0.27 0.00 -1.03 0.00 0.00 54.13 54.15 1ff7 s LEU 73 Cb 0.00 -3.67 1.23 0.00 0.03 0.00 0.00 46.19 43.77 1ff7 s LEU 73 CO 0.00 -0.80 1.82 1.55 0.23 0.00 0.00 176.35 179.15 1ff7 h PRO 74 N 0.06 0.00 -0.50 1.29 0.13 -2.00 -2.26 132.00 128.71 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 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1ff7 h PRO 74 CO 0.61 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.38 1ff7 n ALA 75 N -1.87 2.67 -2.44 -0.56 0.00 -1.26 -4.88 120.51 112.17 1ff7 n ALA 75 Ca 0.01 -0.74 -0.25 0.00 0.00 0.00 0.00 53.44 52.46 1ff7 n ALA 75 Cb 0.20 -1.00 -0.12 0.00 0.00 0.00 0.00 19.45 18.53 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 -1.62 2.08 0.27 0.00 0.40 -0.85 -1.47 117.98 116.79 1ff7 s PHE 76 Ca 0.25 -0.40 0.02 0.00 -0.60 0.00 0.00 56.93 56.20 1ff7 s PHE 76 Cb 0.15 -1.04 -0.01 0.00 0.51 0.00 0.00 43.02 42.63 1ff7 s PHE 76 CO 0.14 0.41 0.32 -1.91 0.70 0.00 0.00 175.22 174.88 1ff7 n GLU 77 N 0.35 0.46 0.00 0.44 2.13 0.12 -4.83 120.64 119.31 1ff7 n GLU 77 Ca -0.13 -2.38 0.00 0.00 0.66 0.00 0.00 57.16 55.31 1ff7 n GLU 77 Cb 0.56 2.14 0.00 0.00 0.27 0.00 0.00 31.44 34.41 1ff7 n GLU 77 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1ff7 n GLY 78 N -0.47 2.94 0.26 8.31 0.00 -1.26 -0.97 105.19 114.00 1ff7 n GLY 78 Ca 0.03 -1.81 0.06 0.00 0.00 0.00 0.00 46.02 44.29 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 0.14 -0.66 1.61 9.65 -2.00 -2.99 114.38 120.14 1ff7 h ARG 79 Ca 0.00 -0.01 -0.42 0.00 -1.10 0.00 0.00 59.98 58.45 1ff7 h ARG 79 Cb 0.00 -0.03 -0.42 0.00 -1.39 0.00 0.00 29.97 28.13 1ff7 h ARG 79 CO 0.00 0.14 -0.95 0.09 2.80 0.00 0.00 179.97 182.05 1ff7 n ASN 80 N -4.47 3.42 -3.75 -3.80 5.03 -1.26 -4.96 115.26 105.47 1ff7 n ASN 80 Ca -0.01 -3.00 -0.23 0.00 0.87 0.00 0.00 54.58 52.20 1ff7 n ASN 80 Cb 0.12 -0.41 0.03 0.00 -1.02 0.00 0.00 39.78 38.50 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 -4.35 1.77 -3.56 0.00 0.28 -1.08 -2.83 120.64 110.87 1ff7 n GLU 82 Ca -0.25 -2.96 -0.26 0.00 -0.16 0.00 0.00 57.16 53.53 1ff7 n GLU 82 Cb 0.65 -1.66 -0.15 0.00 1.43 0.00 0.00 31.44 31.71 1ff7 n GLU 82 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 1ff7 s THR 83 N -3.05 -0.13 -0.36 3.84 2.01 -0.14 -4.95 115.64 112.86 1ff7 s THR 83 Ca 0.38 -0.41 -0.29 0.00 0.31 0.00 0.00 61.69 61.68 1ff7 s THR 83 Cb 0.34 -0.77 0.01 0.00 0.01 0.00 0.00 72.50 72.09 1ff7 s THR 83 CO 0.00 -0.46 1.23 -2.28 -0.69 0.00 0.00 174.62 172.42 1ff7 s HIS 84 N 2.16 2.78 -1.29 4.92 2.46 -1.26 0.15 115.29 125.20 1ff7 s HIS 84 Ca 0.06 0.88 -0.17 0.00 0.47 0.00 0.00 55.06 56.30 1ff7 s HIS 84 Cb -0.16 -4.03 0.08 0.00 -0.13 0.00 0.00 32.58 28.35 1ff7 s HIS 84 CO -0.22 -1.44 1.71 1.63 -2.47 0.00 0.00 174.74 173.94 1ff7 n LYS 85 N 7.43 3.22 -2.78 2.88 4.76 -0.54 -4.92 118.16 128.20 1ff7 n LYS 85 Ca 0.14 -3.35 -0.43 0.00 -2.87 0.00 0.00 58.31 51.80 1ff7 n LYS 85 Cb 0.47 -3.42 -0.03 0.00 -1.84 0.00 0.00 35.03 30.21 1ff7 n LYS 85 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1ff7 s ASP 86 N 3.98 6.52 -0.08 4.39 1.01 -1.26 -4.73 116.67 126.50 1ff7 s ASP 86 Ca 0.52 -1.69 0.20 0.00 0.71 0.00 0.00 52.55 52.30 1ff7 s ASP 86 Cb 0.03 -2.46 0.43 0.00 1.01 0.00 0.00 42.92 41.93 1ff7 s ASP 86 CO 0.06 -1.28 1.19 0.47 0.21 0.00 0.00 175.17 175.83 1ff7 n ASP 87 N 7.54 1.28 0.00 0.27 9.92 -1.26 -4.95 116.55 129.35 1ff7 n ASP 87 Ca 0.23 -2.73 0.00 0.00 -0.53 0.00 0.00 54.79 51.76 1ff7 n ASP 87 Cb 0.49 -0.39 0.00 0.00 -0.64 0.00 0.00 41.12 40.59 1ff7 n ASP 87 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1ff7 n GLY 88 N -0.12 0.68 7.00 0.44 0.00 -1.26 -5.02 105.19 106.91 1ff7 n GLY 88 Ca 0.11 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1ff7 n GLY 88 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ff7 n SER 89 N 0.00 -1.55 0.00 1.61 3.41 -1.26 -5.22 113.62 110.60 1ff7 n SER 89 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1ff7 n SER 89 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1ff7 n SER 89 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88