#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 6.95 0.25 4.04 1.01 -1.26 -4.46 116.67 123.20 1ff7 s ASP 46 Ca 0.00 -2.83 0.00 0.00 0.71 0.00 0.00 52.55 50.43 1ff7 s ASP 46 Cb 0.00 -2.31 0.00 0.00 1.01 0.00 0.00 42.92 41.62 1ff7 s ASP 46 CO 0.00 -0.67 0.00 0.61 0.21 0.00 0.00 175.17 175.32 1ff7 n GLY 47 N 4.08 -1.71 3.22 0.21 0.00 -1.26 -5.02 105.19 104.71 1ff7 n GLY 47 Ca 0.25 0.48 -0.43 0.00 0.00 0.00 0.00 46.02 46.32 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 -3.11 5.20 -0.03 1.61 8.00 -1.26 -4.55 116.55 122.41 1ff7 n ASP 48 Ca 0.00 -3.04 -0.03 0.00 0.71 0.00 0.00 54.79 52.43 1ff7 n ASP 48 Cb 0.00 -1.52 -0.05 0.00 -0.02 0.00 0.00 41.12 39.52 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 4.79 2.82 -1.00 -1.24 -0.06 -1.26 -4.63 117.38 116.80 1ff7 n GLN 49 Ca 0.38 -0.01 -0.10 0.00 -2.00 0.00 0.00 57.00 55.27 1ff7 n GLN 49 Cb 0.40 -1.17 0.17 0.00 -4.06 0.00 0.00 30.24 25.58 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 1.16 0.68 -0.38 0.00 0.00 -1.91 -3.26 119.26 115.56 1ff7 h ALA 51 Ca 0.31 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1ff7 h ALA 51 Cb 1.73 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.54 1ff7 h ALA 51 CO 0.58 0.60 0.00 -1.13 0.00 0.00 0.00 179.25 179.30 1ff7 n SER 52 N -3.10 3.37 -3.35 0.00 3.41 -1.26 -4.95 113.62 107.73 1ff7 n SER 52 Ca -0.01 -2.37 -0.13 0.00 -0.26 0.00 0.00 58.87 56.10 1ff7 n SER 52 Cb 0.73 -0.51 0.00 0.00 -0.26 0.00 0.00 64.21 64.18 1ff7 n SER 52 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1ff7 n SER 53 N 0.53 -6.53 -0.03 4.04 2.88 -1.23 -4.92 113.62 108.35 1ff7 n SER 53 Ca 0.16 -0.35 -0.14 0.00 -1.33 0.00 0.00 58.87 57.21 1ff7 n SER 53 Cb 0.67 -3.66 -0.10 0.00 -0.75 0.00 0.00 64.21 60.37 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 0.49 0.16 -7.22 -1.46 0.13 -1.89 -3.45 132.00 118.76 1ff7 h PRO 54 Ca -0.29 -0.14 -0.50 0.00 -0.87 0.00 0.00 66.00 64.21 1ff7 h PRO 54 Cb 1.18 0.03 0.05 0.00 0.13 0.00 0.00 31.00 32.40 1ff7 h PRO 54 CO 0.31 0.80 0.31 0.00 -0.23 0.00 0.00 178.00 179.19 1ff7 n GLN 56 N -2.61 0.00 -3.79 0.00 10.64 -0.69 -4.87 117.38 116.05 1ff7 n GLN 56 Ca 0.04 0.00 -0.26 0.00 -1.83 0.00 0.00 57.00 54.95 1ff7 n GLN 56 Cb 0.55 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 -3.69 -2.33 2.61 3.02 -1.26 -0.89 115.26 112.71 1ff7 n ASN 57 Ca 0.00 -0.76 -0.20 0.00 -0.03 0.00 0.00 54.58 53.59 1ff7 n ASN 57 Cb 0.00 -4.12 -0.02 0.00 -0.61 0.00 0.00 39.78 35.04 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 -0.29 3.83 7.41 0.00 -1.26 -4.96 105.19 108.25 1ff7 n GLY 58 Ca -0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.11 2.52 0.15 -0.02 0.00 -0.07 -4.94 107.32 102.85 1ff7 s GLY 59 Ca 0.00 0.14 -0.15 0.00 0.00 0.00 0.00 44.72 44.71 1ff7 s GLY 59 CO 0.00 0.45 0.57 -0.56 0.00 0.00 0.00 173.10 173.55 1ff7 s SER 60 N -1.88 6.86 0.21 1.64 0.01 -0.85 -4.75 113.70 114.94 1ff7 s SER 60 Ca 0.48 1.12 0.09 0.00 1.31 0.00 0.00 55.95 58.95 1ff7 s SER 60 Cb -0.14 -2.31 -0.05 0.00 0.21 0.00 0.00 66.02 63.74 1ff7 s SER 60 CO 0.20 0.11 -0.18 0.00 0.41 0.00 0.00 173.24 173.78 1ff7 s LYS 62 N -3.21 1.55 -0.18 0.00 2.20 0.13 -4.93 119.74 115.30 1ff7 s LYS 62 Ca 0.21 -1.35 -0.05 0.00 -0.36 0.00 0.00 55.97 54.43 1ff7 s LYS 62 Cb -0.04 0.44 -0.03 0.00 -1.51 0.00 0.00 37.83 36.69 1ff7 s LYS 62 CO 0.09 -0.63 -0.00 0.34 -0.36 0.00 0.00 175.35 174.78 1ff7 s ASP 63 N -3.06 4.97 0.00 1.43 2.15 -1.26 -2.12 116.67 118.77 1ff7 s ASP 63 Ca 0.25 -0.12 0.00 0.00 0.43 0.00 0.00 52.55 53.11 1ff7 s ASP 63 Cb 0.00 -1.83 0.00 0.00 -0.30 0.00 0.00 42.92 40.79 1ff7 s ASP 63 CO 0.10 0.13 0.00 0.00 -0.17 0.00 0.00 175.17 175.23 1ff7 n GLN 64 N 3.81 1.92 0.00 4.34 1.13 -1.00 -4.89 117.38 122.69 1ff7 n GLN 64 Ca -0.17 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.89 1ff7 n GLN 64 Cb 0.52 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.87 1ff7 n GLN 64 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1ff7 n LEU 65 N 0.00 0.00 0.00 1.08 7.99 -1.26 -4.63 117.00 120.18 1ff7 n LEU 65 Ca 0.00 0.63 0.00 0.00 -0.01 0.00 0.00 56.01 56.63 1ff7 n LEU 65 Cb 0.00 -0.13 0.00 0.00 -0.11 0.00 0.00 43.42 43.18 1ff7 n LEU 65 CO 0.00 -0.13 0.00 0.00 -1.51 0.00 0.00 177.39 175.75 1ff7 n GLN 66 N -0.95 0.00 0.00 3.23 6.02 -1.26 -4.63 117.38 119.78 1ff7 n GLN 66 Ca 0.00 0.14 0.00 0.00 -0.01 0.00 0.00 57.00 57.13 1ff7 n GLN 66 Cb 0.00 -0.61 0.00 0.00 1.02 0.00 0.00 30.24 30.65 1ff7 n GLN 66 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1ff7 n SER 67 N -1.03 0.00 -2.22 1.08 2.88 -1.26 -4.78 113.62 108.29 1ff7 n SER 67 Ca 0.00 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.52 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 0.00 -0.55 -3.75 0.66 0.18 -1.26 -2.38 117.16 110.06 1ff7 n TYR 68 Ca 0.00 -0.19 -0.13 0.00 1.88 0.00 0.00 57.90 59.46 1ff7 n TYR 68 Cb 0.00 -0.03 -0.11 0.00 -0.38 0.00 0.00 39.34 38.82 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 -0.75 -0.00 0.03 -3.48 2.07 -0.90 -4.73 121.20 113.42 1ff7 s ILE 69 Ca 0.01 0.01 0.08 0.00 -1.41 0.00 0.00 60.65 59.34 1ff7 s ILE 69 Cb -0.00 -0.51 -0.03 0.00 0.13 0.00 0.00 42.46 42.05 1ff7 s ILE 69 CO 0.01 0.00 -0.23 0.00 -1.91 0.00 0.00 174.94 172.81 1ff7 s PHE 71 N -0.80 3.59 0.00 0.00 0.08 0.21 -4.94 117.98 116.12 1ff7 s PHE 71 Ca 0.12 -2.66 0.00 0.00 0.12 0.00 0.00 56.93 54.51 1ff7 s PHE 71 Cb -0.10 -2.69 0.00 0.00 -0.57 0.00 0.00 43.02 39.66 1ff7 s PHE 71 CO 0.02 -0.93 0.00 0.00 -0.10 0.00 0.00 175.22 174.22 1ff7 s LEU 73 N 0.00 3.31 0.47 0.00 1.43 -1.26 -4.96 118.68 117.67 1ff7 s LEU 73 Ca 0.00 0.65 0.32 0.00 -1.03 0.00 0.00 54.13 54.07 1ff7 s LEU 73 Cb -0.00 -3.49 1.44 0.00 0.03 0.00 0.00 46.19 44.17 1ff7 s LEU 73 CO 0.00 -0.99 1.95 1.55 0.23 0.00 0.00 176.35 179.09 1ff7 h PRO 74 N -0.07 0.00 -0.54 1.29 0.13 -1.93 -2.24 132.00 128.64 1ff7 h PRO 74 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1ff7 h PRO 74 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1ff7 h PRO 74 CO 0.60 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.37 1ff7 n ALA 75 N -1.98 2.75 -2.53 -0.56 0.00 -1.25 -4.85 120.51 112.09 1ff7 n ALA 75 Ca 0.00 -0.78 -0.24 0.00 0.00 0.00 0.00 53.44 52.43 1ff7 n ALA 75 Cb 0.22 -1.01 -0.15 0.00 0.00 0.00 0.00 19.45 18.51 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 -1.66 1.45 0.30 0.00 0.40 -0.84 -1.37 117.98 116.26 1ff7 s PHE 76 Ca 0.26 -0.28 0.05 0.00 -0.60 0.00 0.00 56.93 56.36 1ff7 s PHE 76 Cb 0.16 -0.93 -0.02 0.00 0.51 0.00 0.00 43.02 42.75 1ff7 s PHE 76 CO 0.13 -0.02 0.17 -1.91 0.70 0.00 0.00 175.22 174.30 1ff7 n GLU 77 N 2.60 0.48 0.00 0.44 2.13 -0.04 -4.80 120.64 121.46 1ff7 n GLU 77 Ca -0.15 -2.75 0.00 0.00 0.66 0.00 0.00 57.16 54.93 1ff7 n GLU 77 Cb 0.54 1.87 0.00 0.00 0.27 0.00 0.00 31.44 34.12 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 -0.37 2.80 0.27 8.31 0.00 -1.26 -1.12 105.19 113.82 1ff7 n GLY 78 Ca 0.01 -1.82 0.05 0.00 0.00 0.00 0.00 46.02 44.26 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 0.24 -0.37 1.61 2.43 -2.00 -2.76 114.38 113.54 1ff7 h ARG 79 Ca 0.00 -0.02 -0.28 0.00 -0.81 0.00 0.00 59.98 58.87 1ff7 h ARG 79 Cb 0.00 -0.05 -0.25 0.00 -0.42 0.00 0.00 29.97 29.25 1ff7 h ARG 79 CO 0.00 0.20 -0.73 0.09 -1.51 0.00 0.00 179.97 178.02 1ff7 n ASN 80 N -4.46 3.09 -3.71 -3.80 5.03 -1.26 -4.95 115.26 105.19 1ff7 n ASN 80 Ca -0.00 -3.56 -0.28 0.00 0.87 0.00 0.00 54.58 51.60 1ff7 n ASN 80 Cb 0.12 -0.43 0.02 0.00 -1.02 0.00 0.00 39.78 38.47 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 -4.41 2.67 -3.55 0.00 0.28 -1.13 -4.09 120.64 110.42 1ff7 n GLU 82 Ca 0.02 -3.04 -0.29 0.00 -0.16 0.00 0.00 57.16 53.69 1ff7 n GLU 82 Cb 0.54 -1.95 -0.13 0.00 1.43 0.00 0.00 31.44 31.33 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 -3.06 0.47 -0.06 3.84 2.01 -0.28 -4.97 115.64 113.59 1ff7 s THR 83 Ca 0.47 -1.80 -0.29 0.00 0.31 0.00 0.00 61.69 60.38 1ff7 s THR 83 Cb 0.40 -1.34 -0.07 0.00 0.01 0.00 0.00 72.50 71.49 1ff7 s THR 83 CO 0.07 -0.92 1.97 -2.28 -0.69 0.00 0.00 174.62 172.76 1ff7 s HIS 84 N 1.03 1.39 0.00 4.92 2.46 -1.26 -0.86 115.29 122.98 1ff7 s HIS 84 Ca 0.17 -0.05 0.00 0.00 0.47 0.00 0.00 55.06 55.65 1ff7 s HIS 84 Cb -0.22 -4.11 0.00 0.00 -0.13 0.00 0.00 32.58 28.12 1ff7 s HIS 84 CO -0.04 -4.78 0.46 1.63 -2.47 0.00 0.00 174.74 169.53 1ff7 n LYS 85 N 7.83 0.00 0.00 2.88 5.02 -0.47 -4.90 118.16 128.52 1ff7 n LYS 85 Ca 0.22 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.51 1ff7 n LYS 85 Cb 0.43 -0.96 0.00 0.00 -0.02 0.00 0.00 35.03 34.48 1ff7 n LYS 85 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1ff7 n ASP 86 N -0.47 0.00 -0.49 4.39 2.03 -1.26 -5.08 116.55 115.67 1ff7 n ASP 86 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1ff7 n ASP 86 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1ff7 n ASP 86 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 1ff7 n ASP 87 N -0.46 0.00 -4.05 1.67 5.68 -1.26 -5.12 116.55 113.00 1ff7 n ASP 87 Ca 0.00 -0.49 -0.31 0.00 -0.50 0.00 0.00 54.79 53.49 1ff7 n ASP 87 Cb 0.00 0.00 -0.16 0.00 -1.14 0.00 0.00 41.12 39.82 1ff7 n ASP 87 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 1ff7 s GLY 88 N -1.14 1.24 0.00 6.12 0.00 -1.26 -3.91 107.32 108.36 1ff7 s GLY 88 Ca 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 44.72 43.66 1ff7 s GLY 88 CO 0.00 0.47 0.00 -1.14 0.00 0.00 0.00 173.10 172.43 1ff7 n SER 89 N 4.71 0.00 -0.53 1.64 3.41 -1.26 -5.05 113.62 116.53 1ff7 n SER 89 Ca -0.18 0.35 0.14 0.00 -0.26 0.00 0.00 58.87 58.92 1ff7 n SER 89 Cb 0.49 -0.43 0.48 0.00 -0.26 0.00 0.00 64.21 64.49 1ff7 n SER 89 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88