#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 4.71 0.79 4.04 1.11 -1.26 -5.10 116.67 120.96 1ff7 s ASP 46 Ca 0.00 -1.11 0.00 0.00 0.18 0.00 0.00 52.55 51.62 1ff7 s ASP 46 Cb 0.00 0.10 0.00 0.00 1.07 0.00 0.00 42.92 44.09 1ff7 s ASP 46 CO 0.00 -0.95 0.00 0.61 1.18 0.00 0.00 175.17 176.01 1ff7 n GLY 47 N -1.67 -3.15 2.92 0.21 0.00 -1.26 -4.99 105.19 97.24 1ff7 n GLY 47 Ca 0.00 -1.31 -0.15 0.00 0.00 0.00 0.00 46.02 44.56 1ff7 n GLY 47 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ff7 s ASP 48 N -1.80 0.48 0.00 1.61 1.01 -1.26 -4.84 116.67 111.87 1ff7 s ASP 48 Ca 0.00 -0.07 0.21 0.00 0.71 0.00 0.00 52.55 53.40 1ff7 s ASP 48 Cb 0.00 -0.10 0.34 0.00 1.01 0.00 0.00 42.92 44.18 1ff7 s ASP 48 CO 0.00 0.02 1.13 0.00 0.21 0.00 0.00 175.17 176.53 1ff7 n GLN 49 N 3.21 0.00 -2.75 8.23 6.02 -1.26 -4.92 117.38 125.91 1ff7 n GLN 49 Ca -0.15 -1.79 -0.09 0.00 -0.01 0.00 0.00 57.00 54.96 1ff7 n GLN 49 Cb 0.57 0.01 0.09 0.00 1.02 0.00 0.00 30.24 31.93 1ff7 n GLN 49 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ff7 n ALA 51 N 0.09 1.68 -0.63 0.00 0.00 -1.26 -4.82 120.51 115.56 1ff7 n ALA 51 Ca 0.05 -0.66 0.00 0.00 0.00 0.00 0.00 53.44 52.82 1ff7 n ALA 51 Cb 0.74 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 19.29 1ff7 n ALA 51 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1ff7 n SER 52 N -2.98 0.00 -2.68 0.00 7.64 -1.26 -5.08 113.62 109.26 1ff7 n SER 52 Ca -0.14 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 59.71 1ff7 n SER 52 Cb 0.96 -0.01 0.03 0.00 -1.01 0.00 0.00 64.21 64.18 1ff7 n SER 52 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1ff7 n SER 53 N -1.57 -1.65 0.14 6.43 3.41 -1.26 -5.02 113.62 114.10 1ff7 n SER 53 Ca 0.00 -1.18 -0.00 0.00 -0.26 0.00 0.00 58.87 57.43 1ff7 n SER 53 Cb 0.00 0.84 0.17 0.00 -0.26 0.00 0.00 64.21 64.96 1ff7 n SER 53 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1ff7 h PRO 54 N 4.23 0.00 -7.24 4.33 0.13 -1.94 -3.45 132.00 128.06 1ff7 h PRO 54 Ca -0.01 0.00 -0.43 0.00 -0.87 0.00 0.00 66.00 64.70 1ff7 h PRO 54 Cb 1.16 0.00 0.19 0.00 0.13 0.00 0.00 31.00 32.48 1ff7 h PRO 54 CO -0.10 0.60 0.06 0.00 -0.23 0.00 0.00 178.00 178.33 1ff7 s GLN 56 N -4.87 2.03 -1.19 0.00 1.11 -0.31 -4.77 119.66 111.65 1ff7 s GLN 56 Ca 0.68 -2.26 0.00 0.00 0.01 0.00 0.00 55.36 53.79 1ff7 s GLN 56 Cb -0.19 -1.00 0.00 0.00 -1.01 0.00 0.00 33.01 30.82 1ff7 s GLN 56 CO 0.60 -0.42 0.00 0.09 0.01 0.00 0.00 175.29 175.57 1ff7 n ASN 57 N -1.28 -4.19 -2.10 5.90 3.02 -1.18 -0.33 115.26 115.09 1ff7 n ASN 57 Ca -0.11 0.17 -0.19 0.00 -0.03 0.00 0.00 54.58 54.42 1ff7 n ASN 57 Cb 0.66 -3.57 -0.02 0.00 -0.61 0.00 0.00 39.78 36.24 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 -0.80 -0.19 3.59 7.41 0.00 -1.26 -4.96 105.19 108.97 1ff7 n GLY 58 Ca -0.16 -0.09 -0.28 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.21 1.55 -0.29 -0.02 0.00 0.54 -4.98 107.32 101.92 1ff7 s GLY 59 Ca 0.00 -0.36 -0.16 0.00 0.00 0.00 0.00 44.72 44.20 1ff7 s GLY 59 CO 0.00 0.34 0.42 -0.56 0.00 0.00 0.00 173.10 173.29 1ff7 s SER 60 N -3.13 6.28 0.04 1.64 0.01 -0.90 -4.84 113.70 112.81 1ff7 s SER 60 Ca 0.67 0.23 -0.19 0.00 1.31 0.00 0.00 55.95 57.97 1ff7 s SER 60 Cb -0.20 -2.23 -0.06 0.00 0.21 0.00 0.00 66.02 63.73 1ff7 s SER 60 CO 0.60 -0.26 0.54 0.00 0.41 0.00 0.00 173.24 174.53 1ff7 s LYS 62 N -0.91 1.75 -0.94 0.00 1.02 -0.62 -4.98 119.74 115.06 1ff7 s LYS 62 Ca 0.28 -0.37 -0.24 0.00 0.02 0.00 0.00 55.97 55.66 1ff7 s LYS 62 Cb -0.19 -1.65 0.04 0.00 -0.52 0.00 0.00 37.83 35.51 1ff7 s LYS 62 CO 0.17 -0.17 1.44 0.34 -0.92 0.00 0.00 175.35 176.21 1ff7 s ASP 63 N 1.35 6.34 0.46 2.83 -1.08 -1.26 -1.88 116.67 123.43 1ff7 s ASP 63 Ca -0.01 -1.16 0.00 0.00 -0.52 0.00 0.00 52.55 50.87 1ff7 s ASP 63 Cb -0.14 -2.57 0.00 0.00 -1.46 0.00 0.00 42.92 38.76 1ff7 s ASP 63 CO -0.05 -1.66 0.00 0.00 0.52 0.00 0.00 175.17 173.98 1ff7 n GLN 64 N 9.01 0.62 -2.34 4.34 6.02 -1.21 -5.02 117.38 128.81 1ff7 n GLN 64 Ca 0.26 0.00 -0.37 0.00 -0.01 0.00 0.00 57.00 56.88 1ff7 n GLN 64 Cb 0.50 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.75 1ff7 n GLN 64 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1ff7 s LEU 65 N 0.00 4.03 0.00 1.08 2.96 -1.26 -4.47 118.68 121.02 1ff7 s LEU 65 Ca 0.00 2.22 0.00 0.00 -0.22 0.00 0.00 54.13 56.13 1ff7 s LEU 65 Cb 0.00 -4.25 0.00 0.00 0.50 0.00 0.00 46.19 42.44 1ff7 s LEU 65 CO 0.00 -0.82 0.00 0.00 -1.32 0.00 0.00 176.35 174.21 1ff7 n GLN 66 N -0.44 0.00 0.00 1.98 6.02 -1.26 -4.56 117.38 119.12 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 0.49 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.75 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 1.89 0.00 -1.67 1.08 3.41 -1.26 -4.61 113.62 112.45 1ff7 n SER 67 Ca 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.58 1ff7 n SER 67 Cb 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 63.94 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 -0.00 -3.67 7.33 4.11 -1.26 -3.31 117.16 120.36 1ff7 n TYR 68 Ca 0.00 -0.30 -0.12 0.00 -0.00 0.00 0.00 57.90 57.48 1ff7 n TYR 68 Cb 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 39.34 39.23 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 -1.78 -0.39 -0.26 -3.48 2.07 -0.79 -4.82 121.20 111.76 1ff7 s ILE 69 Ca 0.03 0.21 -0.15 0.00 -1.41 0.00 0.00 60.65 59.33 1ff7 s ILE 69 Cb 0.00 -0.51 -0.04 0.00 0.13 0.00 0.00 42.46 42.04 1ff7 s ILE 69 CO 0.02 0.09 0.36 0.00 -1.91 0.00 0.00 174.94 173.50 1ff7 s PHE 71 N 1.89 2.93 0.76 0.00 0.08 0.42 -4.82 117.98 119.23 1ff7 s PHE 71 Ca 0.15 -0.18 -0.11 0.00 0.12 0.00 0.00 56.93 56.90 1ff7 s PHE 71 Cb -0.15 -3.78 0.05 0.00 -0.57 0.00 0.00 43.02 38.56 1ff7 s PHE 71 CO 0.09 -1.16 1.10 0.00 -0.10 0.00 0.00 175.22 175.15 1ff7 s LEU 73 N -5.58 2.33 0.59 0.00 1.43 -1.26 -4.92 118.68 111.27 1ff7 s LEU 73 Ca 0.60 0.87 0.37 0.00 -1.03 0.00 0.00 54.13 54.93 1ff7 s LEU 73 Cb -0.13 -3.31 1.76 0.00 0.03 0.00 0.00 46.19 44.55 1ff7 s LEU 73 CO 0.53 -2.14 2.14 1.55 0.23 0.00 0.00 176.35 178.66 1ff7 h PRO 74 N -1.22 0.00 -0.42 1.29 0.13 -2.03 -2.21 132.00 127.56 1ff7 h PRO 74 Ca -0.48 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.47 1ff7 h PRO 74 Cb 1.33 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.35 1ff7 h PRO 74 CO 0.64 0.02 0.03 0.00 -0.23 0.00 0.00 178.00 178.46 1ff7 n ALA 75 N -2.11 4.19 -2.11 -0.56 0.00 -1.26 -4.90 120.51 113.75 1ff7 n ALA 75 Ca -0.01 -2.92 -0.08 0.00 0.00 0.00 0.00 53.44 50.43 1ff7 n ALA 75 Cb 0.21 -0.83 -0.10 0.00 0.00 0.00 0.00 19.45 18.74 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 -3.16 0.63 0.00 0.00 0.40 -0.83 -1.23 117.98 113.79 1ff7 s PHE 76 Ca 0.46 -1.02 0.00 0.00 -0.60 0.00 0.00 56.93 55.76 1ff7 s PHE 76 Cb 0.40 -0.43 0.00 0.00 0.51 0.00 0.00 43.02 43.50 1ff7 s PHE 76 CO 0.03 -0.31 0.00 -0.85 0.70 0.00 0.00 175.22 174.79 1ff7 n GLU 77 N 0.06 0.00 0.00 0.44 0.28 0.19 -4.49 120.64 117.13 1ff7 n GLU 77 Ca -0.13 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.87 1ff7 n GLU 77 Cb 0.61 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.48 1ff7 n GLU 77 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1ff7 n GLY 78 N 0.00 2.65 0.29 -1.84 0.00 -1.26 -1.32 105.19 103.70 1ff7 n GLY 78 Ca 0.00 -1.78 0.13 0.00 0.00 0.00 0.00 46.02 44.38 1ff7 n GLY 78 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1ff7 h ARG 79 N 0.00 0.00 0.00 1.61 0.11 -1.99 -2.51 114.38 111.60 1ff7 h ARG 79 Ca 0.00 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.05 1ff7 h ARG 79 Cb 0.00 0.00 -0.07 0.00 1.11 0.00 0.00 29.97 31.01 1ff7 h ARG 79 CO 0.00 0.01 -0.55 0.09 0.10 0.00 0.00 179.97 179.62 1ff7 n ASN 80 N -4.00 1.59 -3.66 0.08 4.13 -1.26 -4.78 115.26 107.36 1ff7 n ASN 80 Ca -0.03 -3.40 -0.22 0.00 1.68 0.00 0.00 54.58 52.62 1ff7 n ASN 80 Cb 0.10 -0.46 0.05 0.00 -1.54 0.00 0.00 39.78 37.92 1ff7 n ASN 80 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1ff7 n GLU 82 N -4.35 1.60 -3.94 0.00 0.28 -0.98 -3.13 120.64 110.12 1ff7 n GLU 82 Ca -0.23 -2.97 -0.10 0.00 -0.16 0.00 0.00 57.16 53.70 1ff7 n GLU 82 Cb 0.65 -1.61 -0.12 0.00 1.43 0.00 0.00 31.44 31.79 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 -3.07 0.08 -0.02 3.84 2.01 -0.44 -4.98 115.64 113.07 1ff7 s THR 83 Ca 0.37 -0.63 -0.17 0.00 0.31 0.00 0.00 61.69 61.56 1ff7 s THR 83 Cb 0.34 -0.20 -0.05 0.00 0.01 0.00 0.00 72.50 72.59 1ff7 s THR 83 CO -0.01 -0.35 0.48 -1.00 -0.69 0.00 0.00 174.62 173.05 1ff7 s HIS 84 N -1.03 3.68 0.00 4.92 3.76 -1.26 0.56 115.29 125.92 1ff7 s HIS 84 Ca -0.11 1.05 0.00 0.00 -0.15 0.00 0.00 55.06 55.84 1ff7 s HIS 84 Cb -0.07 -2.44 0.00 0.00 1.11 0.00 0.00 32.58 31.18 1ff7 s HIS 84 CO -0.01 0.47 0.00 1.63 -0.85 0.00 0.00 174.74 175.98 1ff7 n LYS 85 N 2.41 0.00 -2.11 1.40 4.76 -0.37 -4.72 118.16 119.53 1ff7 n LYS 85 Ca -0.11 0.35 -0.05 0.00 -2.87 0.00 0.00 58.31 55.63 1ff7 n LYS 85 Cb 0.52 -0.84 0.05 0.00 -1.84 0.00 0.00 35.03 32.93 1ff7 n LYS 85 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1ff7 n ASP 86 N -1.77 2.45 -0.03 4.39 8.00 -1.26 -4.89 116.55 123.44 1ff7 n ASP 86 Ca 0.00 -2.73 -0.01 0.00 0.71 0.00 0.00 54.79 52.76 1ff7 n ASP 86 Cb 0.00 -0.41 -0.00 0.00 -0.02 0.00 0.00 41.12 40.68 1ff7 n ASP 86 CO 0.00 0.00 0.00 -0.78 -0.39 0.00 0.00 177.20 176.03 1ff7 h ASP 87 N 2.02 0.00 -3.72 -2.24 3.58 -1.85 -3.51 116.42 110.70 1ff7 h ASP 87 Ca 0.01 0.00 0.26 0.00 0.42 0.00 0.00 57.03 57.72 1ff7 h ASP 87 Cb 1.42 0.00 -0.14 0.00 1.72 0.00 0.00 39.33 42.33 1ff7 h ASP 87 CO 0.31 0.33 -1.08 0.61 -2.88 0.00 0.00 179.24 176.54 1ff7 n GLY 88 N 1.81 -3.39 5.22 -0.78 0.00 -1.26 -4.59 105.19 102.19 1ff7 n GLY 88 Ca -0.01 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.93 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 -3.81 0.00 0.00 1.61 2.88 -1.26 -5.20 113.62 107.85 1ff7 n SER 89 Ca -0.07 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.47 1ff7 n SER 89 Cb 0.57 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.03 1ff7 n SER 89 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81