#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bf9 s ASP 46 N 0.00 3.15 0.00 -3.46 -1.08 -1.26 -4.88 116.67 109.14 1bf9 s ASP 46 Ca 0.00 -1.97 0.00 0.00 -0.52 0.00 0.00 52.55 50.06 1bf9 s ASP 46 Cb 0.00 -0.41 0.00 0.00 -1.46 0.00 0.00 42.92 41.05 1bf9 s ASP 46 CO 0.00 -0.34 0.00 0.61 0.52 0.00 0.00 175.17 175.96 1bf9 n GLY 47 N 4.34 0.49 0.00 2.66 0.00 -1.26 -5.07 105.19 106.35 1bf9 n GLY 47 Ca 0.07 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1bf9 n GLY 47 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1bf9 n ASP 48 N -0.65 0.00 0.06 1.61 8.00 -1.26 -5.08 116.55 119.23 1bf9 n ASP 48 Ca 0.00 0.00 -0.03 0.00 0.71 0.00 0.00 54.79 55.47 1bf9 n ASP 48 Cb 0.32 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.40 1bf9 n ASP 48 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 1bf9 h GLN 49 N 0.00 -0.17 -6.16 -1.24 7.50 -1.91 -3.41 115.11 109.72 1bf9 h GLN 49 Ca 0.00 0.01 -0.56 0.00 0.50 0.00 0.00 58.65 58.60 1bf9 h GLN 49 Cb 0.00 0.04 -0.09 0.00 0.05 0.00 0.00 27.48 27.47 1bf9 h GLN 49 CO 0.00 -0.11 0.96 0.00 -1.50 0.00 0.00 178.83 178.17 1bf9 n ALA 51 N 9.01 0.00 -2.82 0.00 0.00 -1.26 -4.79 120.51 120.65 1bf9 n ALA 51 Ca 0.02 -0.15 -0.25 0.00 0.00 0.00 0.00 53.44 53.06 1bf9 n ALA 51 Cb 0.48 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.91 1bf9 n ALA 51 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1bf9 n SER 52 N -2.20 4.08 -2.56 0.00 7.64 -1.26 -4.95 113.62 114.37 1bf9 n SER 52 Ca 0.00 -3.59 -0.04 0.00 1.01 0.00 0.00 58.87 56.25 1bf9 n SER 52 Cb 0.00 -0.53 0.01 0.00 -1.01 0.00 0.00 64.21 62.67 1bf9 n SER 52 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1bf9 n SER 53 N -0.26 -6.45 0.00 6.43 2.88 -1.26 -4.86 113.62 110.10 1bf9 n SER 53 Ca 0.32 0.27 0.11 0.00 -1.33 0.00 0.00 58.87 58.24 1bf9 n SER 53 Cb 0.51 -4.30 0.67 0.00 -0.75 0.00 0.00 64.21 60.35 1bf9 n SER 53 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1bf9 n PRO 54 N -0.71 0.71 -2.94 -1.46 -0.04 -1.26 -4.79 135.00 124.50 1bf9 n PRO 54 Ca 0.06 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.27 1bf9 n PRO 54 Cb 0.39 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.35 1bf9 n PRO 54 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bf9 n GLN 56 N -2.08 0.74 -4.32 0.00 6.02 -1.23 -4.71 117.38 111.80 1bf9 n GLN 56 Ca -0.01 -2.39 -0.37 0.00 -0.01 0.00 0.00 57.00 54.22 1bf9 n GLN 56 Cb 0.56 1.23 -0.05 0.00 1.02 0.00 0.00 30.24 33.00 1bf9 n GLN 56 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1bf9 n ASN 57 N -1.64 -2.32 -3.58 1.08 3.02 -1.26 -0.42 115.26 110.14 1bf9 n ASN 57 Ca -0.05 -1.11 -0.22 0.00 -0.03 0.00 0.00 54.58 53.18 1bf9 n ASN 57 Cb 0.42 -2.33 0.05 0.00 -0.61 0.00 0.00 39.78 37.31 1bf9 n ASN 57 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1bf9 n GLY 58 N -1.42 -0.61 3.79 7.41 0.00 -1.26 -4.69 105.19 108.40 1bf9 n GLY 58 Ca 0.03 0.28 -0.27 0.00 0.00 0.00 0.00 46.02 46.06 1bf9 n GLY 58 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1bf9 s GLY 59 N -3.99 1.77 0.71 -0.02 0.00 0.43 -4.66 107.32 101.56 1bf9 s GLY 59 Ca 0.19 -1.18 -0.11 0.00 0.00 0.00 0.00 44.72 43.61 1bf9 s GLY 59 CO 0.80 -1.19 1.10 -0.56 0.00 0.00 0.00 173.10 173.25 1bf9 s SER 60 N -2.97 5.44 -0.24 1.64 0.01 -1.04 -4.63 113.70 111.92 1bf9 s SER 60 Ca 0.30 1.13 -0.01 0.00 1.31 0.00 0.00 55.95 58.69 1bf9 s SER 60 Cb -0.10 -1.93 0.03 0.00 0.21 0.00 0.00 66.02 64.22 1bf9 s SER 60 CO 0.23 -1.35 -0.09 0.00 0.41 0.00 0.00 173.24 172.45 1bf9 s LYS 62 N 1.31 3.67 -0.26 0.00 2.20 -0.21 -4.94 119.74 121.52 1bf9 s LYS 62 Ca 0.01 0.13 -0.02 0.00 -0.36 0.00 0.00 55.97 55.73 1bf9 s LYS 62 Cb -0.16 -3.19 0.03 0.00 -1.51 0.00 0.00 37.83 33.00 1bf9 s LYS 62 CO -0.06 0.73 -0.05 -0.51 -0.36 0.00 0.00 175.35 175.10 1bf9 s ASP 63 N -1.12 4.46 -0.28 1.43 1.01 -1.26 -2.00 116.67 118.91 1bf9 s ASP 63 Ca 0.20 -0.98 0.10 0.00 0.71 0.00 0.00 52.55 52.58 1bf9 s ASP 63 Cb -0.14 -1.67 0.53 0.00 1.01 0.00 0.00 42.92 42.64 1bf9 s ASP 63 CO 0.10 -0.16 1.49 0.00 0.21 0.00 0.00 175.17 176.81 1bf9 n GLN 64 N 4.65 2.14 0.00 8.23 6.02 -0.41 -5.00 117.38 133.01 1bf9 n GLN 64 Ca -0.16 -3.09 0.00 0.00 -0.01 0.00 0.00 57.00 53.75 1bf9 n GLN 64 Cb 0.46 -1.85 0.00 0.00 1.02 0.00 0.00 30.24 29.86 1bf9 n GLN 64 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1bf9 n LEU 65 N -0.98 0.00 -0.24 1.08 4.32 -1.26 -3.82 117.00 116.10 1bf9 n LEU 65 Ca 0.33 0.00 0.04 0.00 -0.02 0.00 0.00 56.01 56.35 1bf9 n LEU 65 Cb 1.05 0.00 0.16 0.00 -1.62 0.00 0.00 43.42 43.02 1bf9 n LEU 65 CO 0.22 0.00 1.01 0.06 -1.22 0.00 0.00 177.39 177.45 1bf9 h GLN 66 N 0.00 0.43 0.00 3.23 -0.00 -2.03 -3.46 115.11 113.28 1bf9 h GLN 66 Ca 0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 58.65 58.62 1bf9 h GLN 66 Cb 0.00 -0.10 0.00 0.00 -0.00 0.00 0.00 27.48 27.38 1bf9 h GLN 66 CO 0.00 0.28 0.00 0.45 -0.00 0.00 0.00 178.83 179.56 1bf9 n SER 67 N -5.00 0.00 -3.48 0.06 2.88 -1.25 -5.04 113.62 101.79 1bf9 n SER 67 Ca 0.13 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.52 1bf9 n SER 67 Cb 0.37 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.79 1bf9 n SER 67 CO 0.00 0.00 0.00 -0.72 -1.23 0.00 0.00 175.04 173.09 1bf9 s TYR 68 N -0.67 -0.59 -0.06 0.66 1.13 -1.26 -1.28 117.35 115.27 1bf9 s TYR 68 Ca 0.00 0.75 -0.03 0.00 -1.41 0.00 0.00 57.07 56.38 1bf9 s TYR 68 Cb 0.00 0.48 0.04 0.00 -1.10 0.00 0.00 41.96 41.38 1bf9 s TYR 68 CO 0.00 -0.70 0.13 0.42 -2.51 0.00 0.00 175.55 172.89 1bf9 s ILE 69 N -2.32 -0.15 0.01 -3.49 1.01 -0.85 -4.95 121.20 110.47 1bf9 s ILE 69 Ca -0.05 0.29 -0.26 0.00 0.00 0.00 0.00 60.65 60.63 1bf9 s ILE 69 Cb -0.00 -0.23 -0.04 0.00 0.01 0.00 0.00 42.46 42.19 1bf9 s ILE 69 CO -0.01 0.12 0.83 0.00 0.00 0.00 0.00 174.94 175.88 1bf9 s PHE 71 N 0.48 3.33 0.13 0.00 0.40 -0.32 -4.76 117.98 117.24 1bf9 s PHE 71 Ca 0.43 -1.78 -0.02 0.00 -0.60 0.00 0.00 56.93 54.96 1bf9 s PHE 71 Cb -0.20 -4.28 0.03 0.00 0.51 0.00 0.00 43.02 39.08 1bf9 s PHE 71 CO 0.24 -1.42 0.08 0.00 0.70 0.00 0.00 175.22 174.82 1bf9 n LEU 73 N 0.00 0.00 0.07 0.00 4.77 -1.26 -4.82 117.00 115.75 1bf9 n LEU 73 Ca 0.01 -2.18 0.05 0.00 -0.03 0.00 0.00 56.01 53.87 1bf9 n LEU 73 Cb 0.05 -0.59 0.27 0.00 -2.33 0.00 0.00 43.42 40.83 1bf9 n LEU 73 CO 0.04 -0.92 0.66 -2.65 -1.33 0.00 0.00 177.39 173.19 1bf9 n PRO 74 N -2.69 0.06 0.11 3.23 -0.02 -1.26 -1.68 135.00 132.75 1bf9 n PRO 74 Ca 0.16 0.52 -0.19 0.00 -2.02 0.00 0.00 63.50 61.97 1bf9 n PRO 74 Cb 0.59 -1.69 -0.15 0.00 -0.02 0.00 0.00 33.50 32.23 1bf9 n PRO 74 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1bf9 h ALA 75 N 2.07 0.05 -5.75 3.55 0.00 -1.99 -3.47 119.26 113.71 1bf9 h ALA 75 Ca 0.00 -0.93 -0.61 0.00 0.00 0.00 0.00 54.91 53.37 1bf9 h ALA 75 Cb 0.05 0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.91 1bf9 h ALA 75 CO 0.00 0.92 -0.32 1.19 0.00 0.00 0.00 179.25 181.04 1bf9 n PHE 76 N -3.58 -0.24 -2.69 0.00 3.01 -0.68 -0.92 117.46 112.37 1bf9 n PHE 76 Ca -0.13 -2.42 -0.05 0.00 1.01 0.00 0.00 57.45 55.86 1bf9 n PHE 76 Cb 1.06 -0.44 0.10 0.00 -0.01 0.00 0.00 39.48 40.18 1bf9 n PHE 76 CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 1bf9 n GLU 77 N -1.72 0.39 -3.99 -1.08 0.00 -1.20 -4.52 120.64 108.50 1bf9 n GLU 77 Ca -0.06 -1.06 -0.10 0.00 0.00 0.00 0.00 57.16 55.94 1bf9 n GLU 77 Cb 0.64 -0.48 -0.07 0.00 0.00 0.00 0.00 31.44 31.53 1bf9 n GLU 77 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 1bf9 s GLY 78 N -0.58 0.60 0.55 8.31 0.00 -1.26 -4.66 107.32 110.28 1bf9 s GLY 78 Ca 0.23 -0.98 0.31 0.00 0.00 0.00 0.00 44.72 44.29 1bf9 s GLY 78 CO -0.15 -0.87 1.87 3.21 0.00 0.00 0.00 173.10 177.17 1bf9 h ARG 79 N 2.51 0.00 -0.44 2.90 2.47 -1.97 -1.92 114.38 117.92 1bf9 h ARG 79 Ca -0.31 0.00 -0.30 0.00 -1.26 0.00 0.00 59.98 58.11 1bf9 h ARG 79 Cb 1.23 0.00 -0.38 0.00 -1.65 0.00 0.00 29.97 29.17 1bf9 h ARG 79 CO 0.47 0.00 -1.00 0.09 0.56 0.00 0.00 179.97 180.09 1bf9 n ASN 80 N -4.14 2.40 -1.32 7.04 4.13 -1.26 -2.93 115.26 119.18 1bf9 n ASN 80 Ca 0.17 -2.58 -0.12 0.00 1.68 0.00 0.00 54.58 53.73 1bf9 n ASN 80 Cb 0.94 -0.42 -0.05 0.00 -1.54 0.00 0.00 39.78 38.71 1bf9 n ASN 80 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1bf9 h GLU 82 N 0.00 0.00 -2.68 0.00 4.81 -1.92 -3.35 114.58 111.44 1bf9 h GLU 82 Ca -0.25 0.00 -0.72 0.00 -0.13 0.00 0.00 59.36 58.25 1bf9 h GLU 82 Cb 0.84 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 30.12 1bf9 h GLU 82 CO 0.37 0.00 2.66 2.41 -0.73 0.00 0.00 179.01 183.73 1bf9 n THR 83 N -3.05 5.02 -1.38 0.32 -1.04 -1.26 -4.96 114.28 107.93 1bf9 n THR 83 Ca 0.04 -3.94 -0.56 0.00 -2.04 0.00 0.00 64.05 57.55 1bf9 n THR 83 Cb 0.52 -2.17 -0.09 0.00 -1.82 0.00 0.00 70.33 66.76 1bf9 n THR 83 CO 0.00 0.00 0.00 1.57 -0.64 0.00 0.00 175.07 176.00 1bf9 n HIS 84 N 2.08 1.44 0.00 -1.42 -0.00 -1.26 -3.27 115.22 112.79 1bf9 n HIS 84 Ca 0.66 0.55 0.00 0.00 -0.00 0.00 0.00 57.72 58.93 1bf9 n HIS 84 Cb 0.25 -2.41 0.00 0.00 -0.00 0.00 0.00 29.99 27.83 1bf9 n HIS 84 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97