#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 3.84 0.00 4.04 5.75 -1.26 -5.15 116.55 123.76 1ff7 n ASP 46 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1ff7 n ASP 46 Cb 0.00 0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.13 1ff7 n ASP 46 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ff7 n GLY 47 N 3.34 0.70 3.36 6.12 0.00 -1.26 -4.97 105.19 112.49 1ff7 n GLY 47 Ca 0.00 -2.06 -0.46 0.00 0.00 0.00 0.00 46.02 43.50 1ff7 n GLY 47 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ff7 s ASP 48 N -4.00 6.70 0.10 1.61 -1.08 -1.26 -4.76 116.67 113.98 1ff7 s ASP 48 Ca 0.00 -2.46 0.00 0.00 -0.52 0.00 0.00 52.55 49.57 1ff7 s ASP 48 Cb 0.00 -2.26 0.00 0.00 -1.46 0.00 0.00 42.92 39.20 1ff7 s ASP 48 CO 0.00 -0.72 0.00 0.00 0.52 0.00 0.00 175.17 174.97 1ff7 n GLN 49 N 4.75 0.00 -1.05 4.34 3.00 -1.26 -4.79 117.38 122.37 1ff7 n GLN 49 Ca 0.15 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 57.03 1ff7 n GLN 49 Cb 0.47 -0.47 0.26 0.00 0.00 0.00 0.00 30.24 30.50 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 2.03 0.57 -0.23 0.00 0.00 -1.90 -3.33 119.26 116.41 1ff7 h ALA 51 Ca 0.37 -0.89 -0.08 0.00 0.00 0.00 0.00 54.91 54.31 1ff7 h ALA 51 Cb 2.43 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 20.23 1ff7 h ALA 51 CO 0.81 1.09 -0.09 0.43 0.00 0.00 0.00 179.25 181.49 1ff7 n SER 52 N -3.18 2.79 -3.19 0.00 7.64 -1.26 -5.01 113.62 111.41 1ff7 n SER 52 Ca -0.04 -3.46 -0.19 0.00 1.01 0.00 0.00 58.87 56.19 1ff7 n SER 52 Cb 0.89 -0.57 0.02 0.00 -1.01 0.00 0.00 64.21 63.54 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 -0.99 -6.82 0.16 6.43 7.64 -1.25 -4.88 113.62 113.91 1ff7 n SER 53 Ca 0.25 0.08 0.02 0.00 1.01 0.00 0.00 58.87 60.24 1ff7 n SER 53 Cb 0.89 -3.78 0.24 0.00 -1.01 0.00 0.00 64.21 60.56 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 1.61 0.00 0.00 1.43 0.13 -1.88 -3.45 132.00 129.84 1ff7 h PRO 54 Ca -0.25 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.56 1ff7 h PRO 54 Cb 1.18 0.00 0.18 0.00 0.13 0.00 0.00 31.00 32.49 1ff7 h PRO 54 CO 0.24 0.50 -0.09 0.00 -0.23 0.00 0.00 178.00 178.42 1ff7 s GLN 56 N -4.88 1.78 -1.31 0.00 2.00 0.28 -4.89 119.66 112.65 1ff7 s GLN 56 Ca 0.59 -1.73 -0.05 0.00 -2.00 0.00 0.00 55.36 52.16 1ff7 s GLN 56 Cb -0.09 0.41 0.03 0.00 0.80 0.00 0.00 33.01 34.17 1ff7 s GLN 56 CO 0.48 -0.72 0.37 0.09 -0.50 0.00 0.00 175.29 175.02 1ff7 n ASN 57 N -1.21 -4.43 -2.14 6.67 3.02 -1.21 -0.31 115.26 115.66 1ff7 n ASN 57 Ca 0.02 -0.20 -0.19 0.00 -0.03 0.00 0.00 54.58 54.17 1ff7 n ASN 57 Cb 0.62 -3.66 -0.02 0.00 -0.61 0.00 0.00 39.78 36.11 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 -1.16 -0.18 3.57 7.41 0.00 -1.26 -4.97 105.19 108.60 1ff7 n GLY 58 Ca -0.08 -0.07 -0.29 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.20 1.54 -0.33 -0.02 0.00 0.58 -4.98 107.32 101.91 1ff7 s GLY 59 Ca 0.00 -0.44 -0.15 0.00 0.00 0.00 0.00 44.72 44.13 1ff7 s GLY 59 CO 0.00 0.29 0.36 -0.56 0.00 0.00 0.00 173.10 173.19 1ff7 s SER 60 N -3.20 6.18 -0.16 1.64 0.01 -0.92 -4.83 113.70 112.42 1ff7 s SER 60 Ca 0.67 -0.18 -0.20 0.00 1.31 0.00 0.00 55.95 57.56 1ff7 s SER 60 Cb -0.19 -2.20 -0.03 0.00 0.21 0.00 0.00 66.02 63.81 1ff7 s SER 60 CO 0.60 -0.32 0.58 0.00 0.41 0.00 0.00 173.24 174.51 1ff7 s LYS 62 N 1.39 1.85 -0.44 0.00 3.01 -0.52 -5.00 119.74 120.02 1ff7 s LYS 62 Ca 0.28 -1.08 -0.17 0.00 -1.01 0.00 0.00 55.97 53.99 1ff7 s LYS 62 Cb -0.16 -2.01 0.04 0.00 -1.01 0.00 0.00 37.83 34.69 1ff7 s LYS 62 CO 0.11 0.52 0.45 0.34 0.51 0.00 0.00 175.35 177.28 1ff7 s ASP 63 N -1.21 6.18 0.37 2.83 2.15 -1.26 -1.65 116.67 124.08 1ff7 s ASP 63 Ca 0.12 -0.85 0.00 0.00 0.43 0.00 0.00 52.55 52.25 1ff7 s ASP 63 Cb -0.10 -2.22 0.00 0.00 -0.30 0.00 0.00 42.92 40.30 1ff7 s ASP 63 CO 0.02 -0.64 0.00 0.00 -0.17 0.00 0.00 175.17 174.38 1ff7 n GLN 64 N 5.60 0.90 0.01 4.34 1.13 -1.00 -4.99 117.38 123.35 1ff7 n GLN 64 Ca -0.08 0.00 -0.01 0.00 -1.94 0.00 0.00 57.00 54.97 1ff7 n GLN 64 Cb 0.46 0.00 -0.00 0.00 0.11 0.00 0.00 30.24 30.81 1ff7 n GLN 64 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 1ff7 h LEU 65 N 0.00 -0.03 0.05 1.08 7.12 -1.97 -3.42 115.31 118.14 1ff7 h LEU 65 Ca 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 57.88 58.01 1ff7 h LEU 65 Cb 0.00 0.01 0.00 0.00 -0.53 0.00 0.00 40.66 40.14 1ff7 h LEU 65 CO 0.00 0.06 -0.03 -0.61 -0.13 0.00 0.00 178.44 177.74 1ff7 h GLN 66 N -0.22 -0.07 0.00 1.25 5.75 -1.98 -3.48 115.11 116.36 1ff7 h GLN 66 Ca -0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1ff7 h GLN 66 Cb 0.03 0.02 0.00 0.00 1.07 0.00 0.00 27.48 28.60 1ff7 h GLN 66 CO 0.01 -0.05 0.00 0.45 -2.65 0.00 0.00 178.83 176.59 1ff7 n SER 67 N -2.26 0.35 -3.79 -0.69 2.88 -1.26 -5.03 113.62 103.82 1ff7 n SER 67 Ca -0.01 0.00 -0.18 0.00 -1.33 0.00 0.00 58.87 57.35 1ff7 n SER 67 Cb 0.03 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.48 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 -0.50 -3.65 0.66 0.18 -1.26 -2.39 117.16 110.19 1ff7 n TYR 68 Ca 0.00 -1.52 -0.10 0.00 1.88 0.00 0.00 57.90 58.16 1ff7 n TYR 68 Cb 0.00 -0.27 -0.11 0.00 -0.38 0.00 0.00 39.34 38.58 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 -1.85 -0.57 -0.30 -3.48 2.07 -0.66 -4.78 121.20 111.63 1ff7 s ILE 69 Ca 0.15 0.20 -0.15 0.00 -1.41 0.00 0.00 60.65 59.45 1ff7 s ILE 69 Cb -0.01 -0.60 -0.03 0.00 0.13 0.00 0.00 42.46 41.95 1ff7 s ILE 69 CO 0.09 0.08 0.35 0.00 -1.91 0.00 0.00 174.94 173.56 1ff7 s PHE 71 N 2.02 3.08 0.76 0.00 0.08 -0.11 -4.82 117.98 119.00 1ff7 s PHE 71 Ca 0.13 0.27 -0.04 0.00 0.12 0.00 0.00 56.93 57.41 1ff7 s PHE 71 Cb -0.16 -3.38 0.16 0.00 -0.57 0.00 0.00 43.02 39.07 1ff7 s PHE 71 CO 0.11 -0.79 1.04 0.00 -0.10 0.00 0.00 175.22 175.47 1ff7 s LEU 73 N 0.00 3.23 0.26 0.00 1.43 -1.26 -4.96 118.68 117.39 1ff7 s LEU 73 Ca 0.66 0.10 0.22 0.00 -1.03 0.00 0.00 54.13 54.08 1ff7 s LEU 73 Cb -0.03 -2.94 1.01 0.00 0.03 0.00 0.00 46.19 44.25 1ff7 s LEU 73 CO 0.44 -1.18 1.67 -0.81 0.23 0.00 0.00 176.35 176.71 1ff7 n PRO 74 N -2.42 0.17 -0.55 1.29 -0.04 -1.26 -2.07 135.00 130.12 1ff7 n PRO 74 Ca 0.07 0.48 0.03 0.00 -0.04 0.00 0.00 63.50 64.05 1ff7 n PRO 74 Cb 0.60 -1.88 0.22 0.00 -0.04 0.00 0.00 33.50 32.39 1ff7 n PRO 74 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ff7 n ALA 75 N -1.76 3.45 -2.30 0.55 0.00 -1.26 -5.01 120.51 114.18 1ff7 n ALA 75 Ca 0.01 -2.73 -0.16 0.00 0.00 0.00 0.00 53.44 50.56 1ff7 n ALA 75 Cb 0.16 -0.67 -0.10 0.00 0.00 0.00 0.00 19.45 18.85 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 -3.02 1.44 0.35 0.00 0.40 -0.88 -2.00 117.98 114.27 1ff7 s PHE 76 Ca 0.42 -1.00 -0.05 0.00 -0.60 0.00 0.00 56.93 55.70 1ff7 s PHE 76 Cb 0.36 -0.83 0.01 0.00 0.51 0.00 0.00 43.02 43.07 1ff7 s PHE 76 CO 0.04 -0.15 0.53 -2.00 0.70 0.00 0.00 175.22 174.34 1ff7 s GLU 77 N -3.91 1.98 0.00 0.44 2.12 -0.85 -4.67 118.70 113.81 1ff7 s GLU 77 Ca 0.28 -1.71 0.00 0.00 0.36 0.00 0.00 54.97 53.91 1ff7 s GLU 77 Cb 0.06 0.48 0.00 0.00 0.26 0.00 0.00 34.13 34.93 1ff7 s GLU 77 CO 0.08 -0.84 0.00 0.41 -0.54 0.00 0.00 175.26 174.37 1ff7 n GLY 78 N -0.56 2.36 0.18 -1.50 0.00 -1.26 -1.46 105.19 102.94 1ff7 n GLY 78 Ca -0.01 -1.98 0.06 0.00 0.00 0.00 0.00 46.02 44.09 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 -0.01 1.61 0.11 -2.00 -3.26 114.38 110.83 1ff7 h ARG 79 Ca 0.00 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.08 1ff7 h ARG 79 Cb 0.00 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.08 1ff7 h ARG 79 CO 0.00 0.33 -0.32 0.09 0.10 0.00 0.00 179.97 180.18 1ff7 n ASN 80 N -3.25 1.96 -3.84 0.08 5.03 -1.26 -4.58 115.26 109.39 1ff7 n ASN 80 Ca 0.02 -3.62 -0.28 0.00 0.87 0.00 0.00 54.58 51.57 1ff7 n ASN 80 Cb 0.61 -0.50 0.03 0.00 -1.02 0.00 0.00 39.78 38.91 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 -4.63 0.64 -3.18 0.00 0.28 -1.21 -3.31 120.64 109.23 1ff7 n GLU 82 Ca -0.03 -0.13 -0.33 0.00 -0.16 0.00 0.00 57.16 56.51 1ff7 n GLU 82 Cb 0.56 -1.37 -0.06 0.00 1.43 0.00 0.00 31.44 32.00 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 4.71 -0.28 3.84 2.01 -0.54 -4.96 115.64 117.37 1ff7 s THR 83 Ca -0.05 0.92 -0.03 0.00 0.31 0.00 0.00 61.69 62.84 1ff7 s THR 83 Cb 0.10 -3.64 0.03 0.00 0.01 0.00 0.00 72.50 69.01 1ff7 s THR 83 CO 0.67 -0.11 -0.00 -2.28 -0.69 0.00 0.00 174.62 172.20 1ff7 s HIS 84 N -1.90 3.17 -0.73 4.92 2.46 -1.26 -2.01 115.29 119.95 1ff7 s HIS 84 Ca 0.52 -1.57 -0.26 0.00 0.47 0.00 0.00 55.06 54.21 1ff7 s HIS 84 Cb -0.11 -2.12 -0.05 0.00 -0.13 0.00 0.00 32.58 30.16 1ff7 s HIS 84 CO 0.18 -0.73 2.03 0.15 -2.47 0.00 0.00 174.74 173.90 1ff7 s LYS 85 N 1.33 2.40 -0.95 2.88 1.02 -0.85 -4.90 119.74 120.69 1ff7 s LYS 85 Ca -0.02 0.36 -0.17 0.00 0.02 0.00 0.00 55.97 56.17 1ff7 s LYS 85 Cb -0.18 -4.71 0.16 0.00 -0.52 0.00 0.00 37.83 32.57 1ff7 s LYS 85 CO -0.02 -3.26 1.09 0.34 -0.92 0.00 0.00 175.35 172.59 1ff7 s ASP 86 N 8.94 6.73 0.44 2.83 2.15 -1.26 -4.83 116.67 131.68 1ff7 s ASP 86 Ca 0.75 -2.34 0.00 0.00 0.43 0.00 0.00 52.55 51.40 1ff7 s ASP 86 Cb -0.11 -2.36 0.00 0.00 -0.30 0.00 0.00 42.92 40.15 1ff7 s ASP 86 CO 0.12 -0.90 0.00 0.47 -0.17 0.00 0.00 175.17 174.68 1ff7 n ASP 87 N 5.80 -4.71 0.00 -0.34 8.00 -1.26 -5.04 116.55 119.01 1ff7 n ASP 87 Ca 0.23 0.49 0.00 0.00 0.71 0.00 0.00 54.79 56.22 1ff7 n ASP 87 Cb 0.48 -1.45 0.00 0.00 -0.02 0.00 0.00 41.12 40.12 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 -1.41 0.49 0.08 0.44 0.00 -1.26 -4.86 105.19 98.68 1ff7 n GLY 88 Ca 0.00 -1.32 -0.09 0.00 0.00 0.00 0.00 46.02 44.62 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 0.85 -0.51 1.61 3.41 -1.26 -5.32 113.62 112.40 1ff7 n SER 89 Ca 0.00 0.41 0.14 0.00 -0.26 0.00 0.00 58.87 59.15 1ff7 n SER 89 Cb 0.00 -0.04 0.50 0.00 -0.26 0.00 0.00 64.21 64.41 1ff7 n SER 89 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88