#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 0.00 -3.50 6.43 8.00 -1.26 -4.17 116.55 122.05 1ff7 n ASP 46 Ca 0.00 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.38 1ff7 n ASP 46 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.00 1ff7 n ASP 46 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1ff7 s GLY 47 N 0.00 -0.25 -0.05 0.44 0.00 -1.26 -5.08 107.32 101.13 1ff7 s GLY 47 Ca 0.00 0.87 -0.03 0.00 0.00 0.00 0.00 44.72 45.56 1ff7 s GLY 47 CO 0.00 2.36 0.11 0.99 0.00 0.00 0.00 173.10 176.56 1ff7 s ASP 48 N 2.48 6.00 -0.01 1.64 1.11 -1.26 -4.59 116.67 122.04 1ff7 s ASP 48 Ca 0.07 0.29 0.19 0.00 0.18 0.00 0.00 52.55 53.28 1ff7 s ASP 48 Cb -0.14 -1.83 0.33 0.00 1.07 0.00 0.00 42.92 42.35 1ff7 s ASP 48 CO -0.13 0.32 1.13 0.00 1.18 0.00 0.00 175.17 177.67 1ff7 n GLN 49 N 1.45 0.08 -0.00 8.23 6.02 -1.26 -4.82 117.38 127.08 1ff7 n GLN 49 Ca -0.15 -1.83 0.05 0.00 -0.01 0.00 0.00 57.00 55.05 1ff7 n GLN 49 Cb 0.53 -0.19 -0.07 0.00 1.02 0.00 0.00 30.24 31.53 1ff7 n GLN 49 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ff7 h ALA 51 N 1.02 1.12 -0.33 0.00 0.00 -2.02 0.19 119.26 119.24 1ff7 h ALA 51 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ff7 h ALA 51 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1ff7 h ALA 51 CO 0.00 -0.12 0.00 0.43 0.00 0.00 0.00 179.25 179.56 1ff7 n SER 52 N -3.00 2.39 -3.75 0.00 7.64 -1.26 -4.93 113.62 110.70 1ff7 n SER 52 Ca -0.03 -2.16 -0.27 0.00 1.01 0.00 0.00 58.87 57.42 1ff7 n SER 52 Cb 0.19 -0.36 0.02 0.00 -1.01 0.00 0.00 64.21 63.05 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 0.46 -3.08 0.16 6.43 7.64 0.05 -4.87 113.62 120.41 1ff7 n SER 53 Ca 0.12 -0.97 0.02 0.00 1.01 0.00 0.00 58.87 59.06 1ff7 n SER 53 Cb 0.44 -3.47 0.24 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 -1.85 0.00 -7.25 1.43 0.13 -1.84 -3.44 132.00 119.18 1ff7 h PRO 54 Ca -0.64 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.03 1ff7 h PRO 54 Cb 1.36 0.00 0.08 0.00 0.13 0.00 0.00 31.00 32.58 1ff7 h PRO 54 CO 0.54 0.50 0.19 0.00 -0.23 0.00 0.00 178.00 179.00 1ff7 n GLN 56 N -2.91 0.00 -1.85 0.00 7.27 -0.18 -4.89 117.38 114.81 1ff7 n GLN 56 Ca 0.10 0.00 -0.14 0.00 0.07 0.00 0.00 57.00 57.03 1ff7 n GLN 56 Cb 0.60 0.00 -0.04 0.00 2.41 0.00 0.00 30.24 33.22 1ff7 n GLN 56 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1ff7 n ASN 57 N -1.43 -3.98 -2.32 1.69 3.02 -1.22 -0.93 115.26 110.10 1ff7 n ASN 57 Ca 0.00 0.26 -0.20 0.00 -0.03 0.00 0.00 54.58 54.61 1ff7 n ASN 57 Cb 0.00 -3.53 -0.02 0.00 -0.61 0.00 0.00 39.78 35.62 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 -0.52 -0.25 3.64 7.41 0.00 -1.26 -4.93 105.19 109.28 1ff7 n GLY 58 Ca -0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.12 1.64 -0.52 -0.02 0.00 -0.11 -4.93 107.32 101.27 1ff7 s GLY 59 Ca 0.00 0.31 -0.22 0.00 0.00 0.00 0.00 44.72 44.81 1ff7 s GLY 59 CO 0.00 0.81 0.80 -0.56 0.00 0.00 0.00 173.10 174.15 1ff7 s SER 60 N -2.76 6.30 0.36 1.64 0.01 -0.95 -4.87 113.70 113.44 1ff7 s SER 60 Ca 0.66 -0.53 -0.06 0.00 1.31 0.00 0.00 55.95 57.33 1ff7 s SER 60 Cb -0.22 -2.37 -0.05 0.00 0.21 0.00 0.00 66.02 63.58 1ff7 s SER 60 CO 0.60 -1.05 0.66 0.00 0.41 0.00 0.00 173.24 173.85 1ff7 s LYS 62 N -3.88 0.41 0.12 0.00 2.20 0.31 -4.95 119.74 113.96 1ff7 s LYS 62 Ca 0.47 0.52 -0.30 0.00 -0.36 0.00 0.00 55.97 56.30 1ff7 s LYS 62 Cb -0.10 0.18 -0.06 0.00 -1.51 0.00 0.00 37.83 36.33 1ff7 s LYS 62 CO 0.33 -0.06 1.01 -0.51 -0.36 0.00 0.00 175.35 175.76 1ff7 s ASP 63 N 0.31 7.41 0.00 1.43 1.01 -1.26 -1.87 116.67 123.69 1ff7 s ASP 63 Ca -0.01 1.89 0.00 0.00 0.71 0.00 0.00 52.55 55.14 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 -0.14 0.00 0.00 0.21 0.00 0.00 175.17 175.23 1ff7 n GLN 64 N 2.77 0.00 -2.15 8.23 1.13 -1.22 -4.93 117.38 121.20 1ff7 n GLN 64 Ca 0.03 0.00 -0.33 0.00 -1.94 0.00 0.00 57.00 54.76 1ff7 n GLN 64 Cb 0.48 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.84 1ff7 n GLN 64 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1ff7 s LEU 65 N 0.00 3.59 0.00 1.08 1.02 -1.26 -4.49 118.68 118.62 1ff7 s LEU 65 Ca 0.00 1.90 0.00 0.00 0.02 0.00 0.00 54.13 56.05 1ff7 s LEU 65 Cb 0.00 -4.55 0.00 0.00 0.02 0.00 0.00 46.19 41.66 1ff7 s LEU 65 CO 0.00 -1.13 0.00 0.00 0.02 0.00 0.00 176.35 175.24 1ff7 n GLN 66 N -1.75 0.00 -0.11 1.70 1.13 -1.26 -4.57 117.38 112.52 1ff7 n GLN 66 Ca 0.09 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.15 1ff7 n GLN 66 Cb 0.52 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.87 1ff7 n GLN 66 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1ff7 n SER 67 N 1.91 0.77 -1.98 1.08 2.88 -1.26 -4.82 113.62 112.20 1ff7 n SER 67 Ca 0.00 -0.08 0.00 0.00 -1.33 0.00 0.00 58.87 57.46 1ff7 n SER 67 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1ff7 n SER 67 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ff7 n TYR 68 N -0.05 -0.82 -3.68 0.66 0.18 -1.26 -3.45 117.16 108.74 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 -0.11 0.00 -0.38 0.00 0.00 39.34 38.85 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 -0.43 -0.30 -0.15 -3.48 2.07 -0.78 -4.88 121.20 113.26 1ff7 s ILE 69 Ca 0.00 0.16 0.01 0.00 -1.41 0.00 0.00 60.65 59.41 1ff7 s ILE 69 Cb 0.00 -0.56 -0.00 0.00 0.13 0.00 0.00 42.46 42.02 1ff7 s ILE 69 CO 0.00 0.07 -0.16 0.00 -1.91 0.00 0.00 174.94 172.93 1ff7 s PHE 71 N 0.71 2.90 1.06 0.00 0.08 0.11 -4.85 117.98 117.99 1ff7 s PHE 71 Ca -0.07 -0.27 -0.15 0.00 0.12 0.00 0.00 56.93 56.56 1ff7 s PHE 71 Cb -0.16 -3.85 0.22 0.00 -0.57 0.00 0.00 43.02 38.66 1ff7 s PHE 71 CO 0.01 -1.23 1.11 0.00 -0.10 0.00 0.00 175.22 175.02 1ff7 s LEU 73 N -6.59 2.85 0.51 0.00 1.43 -1.26 -4.91 118.68 110.71 1ff7 s LEU 73 Ca 0.67 0.57 0.27 0.00 -1.03 0.00 0.00 54.13 54.62 1ff7 s LEU 73 Cb -0.15 -3.24 1.34 0.00 0.03 0.00 0.00 46.19 44.17 1ff7 s LEU 73 CO 0.57 -1.53 2.01 1.55 0.23 0.00 0.00 176.35 179.18 1ff7 h PRO 74 N -0.58 0.00 -0.65 1.29 0.13 -1.98 -2.24 132.00 127.96 1ff7 h PRO 74 Ca -0.45 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.50 1ff7 h PRO 74 Cb 1.30 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.33 1ff7 h PRO 74 CO 0.61 0.14 0.20 0.00 -0.23 0.00 0.00 178.00 178.72 1ff7 n ALA 75 N -2.25 4.35 -2.25 -0.56 0.00 -1.26 -4.55 120.51 114.00 1ff7 n ALA 75 Ca -0.01 -2.39 -0.14 0.00 0.00 0.00 0.00 53.44 50.90 1ff7 n ALA 75 Cb 0.29 -1.14 -0.10 0.00 0.00 0.00 0.00 19.45 18.49 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 -2.99 1.25 0.36 0.00 0.40 -0.84 -0.54 117.98 115.61 1ff7 s PHE 76 Ca 0.53 -1.11 -0.04 0.00 -0.60 0.00 0.00 56.93 55.71 1ff7 s PHE 76 Cb 0.43 -0.71 0.01 0.00 0.51 0.00 0.00 43.02 43.26 1ff7 s PHE 76 CO 0.12 -0.31 0.54 -2.00 0.70 0.00 0.00 175.22 174.27 1ff7 s GLU 77 N -3.98 2.00 0.00 0.44 2.56 -0.83 -4.63 118.70 114.27 1ff7 s GLU 77 Ca 0.28 -1.72 0.00 0.00 0.00 0.00 0.00 54.97 53.53 1ff7 s GLU 77 Cb 0.07 0.48 0.00 0.00 2.00 0.00 0.00 34.13 36.67 1ff7 s GLU 77 CO 0.07 -0.85 0.00 0.41 -0.56 0.00 0.00 175.26 174.33 1ff7 n GLY 78 N -0.57 2.50 0.35 -1.50 0.00 -1.26 -1.10 105.19 103.61 1ff7 n GLY 78 Ca -0.01 -1.70 -0.02 0.00 0.00 0.00 0.00 46.02 44.29 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 1.13 -0.67 1.61 3.08 -1.99 -2.27 114.38 115.27 1ff7 h ARG 79 Ca 0.00 -0.13 -0.25 0.00 0.07 0.00 0.00 59.98 59.68 1ff7 h ARG 79 Cb 0.00 -0.23 -0.15 0.00 0.08 0.00 0.00 29.97 29.68 1ff7 h ARG 79 CO 0.00 0.83 0.26 0.09 -1.07 0.00 0.00 179.97 180.08 1ff7 n ASN 80 N -4.35 4.15 -3.77 7.04 5.03 -1.26 -4.70 115.26 117.40 1ff7 n ASN 80 Ca 0.09 -3.37 -0.23 0.00 0.87 0.00 0.00 54.58 51.94 1ff7 n ASN 80 Cb 0.10 -0.72 0.02 0.00 -1.02 0.00 0.00 39.78 38.15 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 2.18 -4.31 0.00 0.28 -1.12 -3.37 120.64 109.95 1ff7 n GLU 82 Ca -0.25 -2.85 -0.24 0.00 -0.16 0.00 0.00 57.16 53.66 1ff7 n GLU 82 Cb 0.66 -1.73 -0.13 0.00 1.43 0.00 0.00 31.44 31.67 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 -2.94 1.67 -0.67 3.84 2.01 -0.26 -4.98 115.64 114.29 1ff7 s THR 83 Ca 0.39 -1.49 0.00 0.00 0.31 0.00 0.00 61.69 60.91 1ff7 s THR 83 Cb 0.34 -1.51 0.17 0.00 0.01 0.00 0.00 72.50 71.50 1ff7 s THR 83 CO 0.05 -0.05 0.48 -2.28 -0.69 0.00 0.00 174.62 172.13 1ff7 s HIS 84 N -1.13 3.48 -0.14 4.92 2.46 -1.26 -1.96 115.29 121.66 1ff7 s HIS 84 Ca 0.06 -3.01 -0.17 0.00 0.47 0.00 0.00 55.06 52.41 1ff7 s HIS 84 Cb -0.10 -3.03 -0.14 0.00 -0.13 0.00 0.00 32.58 29.18 1ff7 s HIS 84 CO 0.04 -0.74 0.33 0.87 -2.47 0.00 0.00 174.74 172.77 1ff7 h LYS 85 N 6.37 0.00 -5.47 2.88 1.79 -1.82 -3.48 116.57 116.84 1ff7 h LYS 85 Ca 0.04 0.00 -0.41 0.00 -2.18 0.00 0.00 60.65 58.09 1ff7 h LYS 85 Cb 0.87 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.48 1ff7 h LYS 85 CO 0.74 0.58 -0.62 -3.47 -1.08 0.00 0.00 179.45 175.59 1ff7 n ASP 86 N -4.63 -4.57 -0.01 0.86 -0.08 0.29 -4.87 116.55 103.54 1ff7 n ASP 86 Ca -0.10 -0.48 -0.01 0.00 -1.51 0.00 0.00 54.79 52.69 1ff7 n ASP 86 Cb 0.34 -3.72 -0.00 0.00 2.34 0.00 0.00 41.12 40.08 1ff7 n ASP 86 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1ff7 n ASP 87 N -2.49 0.45 0.00 1.67 8.00 -1.26 -5.01 116.55 117.91 1ff7 n ASP 87 Ca -0.02 0.07 0.00 0.00 0.71 0.00 0.00 54.79 55.55 1ff7 n ASP 87 Cb 0.55 -0.35 0.00 0.00 -0.02 0.00 0.00 41.12 41.31 1ff7 n ASP 87 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ff7 n GLY 88 N 2.44 -0.77 3.96 0.44 0.00 -1.26 -5.08 105.19 104.91 1ff7 n GLY 88 Ca -0.02 0.30 -0.27 0.00 0.00 0.00 0.00 46.02 46.03 1ff7 n GLY 88 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ff7 s SER 89 N -4.00 3.79 0.00 1.61 1.04 -1.26 -4.98 113.70 109.90 1ff7 s SER 89 Ca 0.00 0.03 0.14 0.00 0.48 0.00 0.00 55.95 56.60 1ff7 s SER 89 Cb 0.00 -0.27 0.11 0.00 0.10 0.00 0.00 66.02 65.96 1ff7 s SER 89 CO 0.00 -2.26 0.94 0.00 0.98 0.00 0.00 173.24 172.89