#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bf9 n ASP 46 N 0.00 0.00 0.00 4.04 2.03 -1.26 -4.96 116.55 116.40 1bf9 n ASP 46 Ca 0.00 -1.14 0.00 0.00 0.52 0.00 0.00 54.79 54.17 1bf9 n ASP 46 Cb 0.00 -0.03 0.00 0.00 -0.72 0.00 0.00 41.12 40.37 1bf9 n ASP 46 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1bf9 n GLY 47 N 0.00 0.00 0.00 0.27 0.00 -1.26 -4.98 105.19 99.22 1bf9 n GLY 47 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 0.82 -0.34 1.61 9.92 -1.26 -4.79 116.55 122.51 1bf9 n ASP 48 Ca 0.00 -1.02 0.03 0.00 -0.53 0.00 0.00 54.79 53.27 1bf9 n ASP 48 Cb 0.00 0.00 0.09 0.00 -0.64 0.00 0.00 41.12 40.57 1bf9 n ASP 48 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1bf9 n GLN 49 N -0.01 -0.14 -1.93 -1.24 3.00 -1.26 -1.53 117.38 114.26 1bf9 n GLN 49 Ca 0.00 1.43 -0.42 0.00 -0.01 0.00 0.00 57.00 58.00 1bf9 n GLN 49 Cb 0.05 -2.13 -0.00 0.00 0.00 0.00 0.00 30.24 28.17 1bf9 n GLN 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1bf9 h ALA 51 N 5.79 1.00 0.00 0.00 0.00 -1.67 -3.27 119.26 121.11 1bf9 h ALA 51 Ca 0.53 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.44 1bf9 h ALA 51 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1bf9 h ALA 51 CO 1.77 0.00 -0.18 0.43 0.00 0.00 0.00 179.25 181.27 1bf9 n SER 52 N -2.64 1.25 -2.24 0.00 7.64 -1.26 -5.04 113.62 111.33 1bf9 n SER 52 Ca 0.05 -2.39 -0.04 0.00 1.01 0.00 0.00 58.87 57.49 1bf9 n SER 52 Cb 0.46 -0.26 0.00 0.00 -1.01 0.00 0.00 64.21 63.40 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 -0.69 -5.20 0.15 6.43 2.88 -1.24 -4.93 113.62 111.02 1bf9 n SER 53 Ca 0.07 0.25 0.13 0.00 -1.33 0.00 0.00 58.87 57.98 1bf9 n SER 53 Cb 0.61 -3.37 0.29 0.00 -0.75 0.00 0.00 64.21 60.99 1bf9 n SER 53 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1bf9 h PRO 54 N 0.97 0.00 -6.85 -1.46 0.13 -1.90 -3.45 132.00 119.44 1bf9 h PRO 54 Ca 0.00 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.65 1bf9 h PRO 54 Cb 0.60 0.00 0.03 0.00 0.13 0.00 0.00 31.00 31.76 1bf9 h PRO 54 CO 0.11 0.00 0.04 0.00 -0.23 0.00 0.00 178.00 177.93 1bf9 n GLN 56 N -2.18 0.45 -3.88 0.00 6.02 -1.11 -4.74 117.38 111.93 1bf9 n GLN 56 Ca -0.00 -2.39 -0.30 0.00 -0.01 0.00 0.00 57.00 54.30 1bf9 n GLN 56 Cb 0.56 1.68 0.03 0.00 1.02 0.00 0.00 30.24 33.53 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 -1.91 -4.95 -2.27 1.08 4.13 -1.26 -0.56 115.26 109.52 1bf9 n ASN 57 Ca 0.02 -0.75 -0.18 0.00 1.68 0.00 0.00 54.58 55.34 1bf9 n ASN 57 Cb 0.43 -3.95 0.01 0.00 -1.54 0.00 0.00 39.78 34.73 1bf9 n ASN 57 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1bf9 n GLY 58 N -1.70 -0.36 3.85 7.41 0.00 -1.26 -4.53 105.19 108.59 1bf9 n GLY 58 Ca 0.04 -0.08 -0.38 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.41 2.41 0.83 -0.02 0.00 0.28 -4.65 107.32 103.75 1bf9 s GLY 59 Ca 0.10 -0.31 -0.10 0.00 0.00 0.00 0.00 44.72 44.41 1bf9 s GLY 59 CO 0.13 0.02 1.13 -1.26 0.00 0.00 0.00 173.10 173.11 1bf9 n SER 60 N 1.78 0.53 -4.08 1.64 2.88 -1.07 -4.37 113.62 110.93 1bf9 n SER 60 Ca -0.15 -1.68 -0.31 0.00 -1.33 0.00 0.00 58.87 55.41 1bf9 n SER 60 Cb 0.53 -0.82 -0.16 0.00 -0.75 0.00 0.00 64.21 63.01 1bf9 n SER 60 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1bf9 s LYS 62 N 1.24 3.69 -0.34 0.00 2.20 0.26 -4.90 119.74 121.89 1bf9 s LYS 62 Ca 0.01 0.07 -0.10 0.00 -0.36 0.00 0.00 55.97 55.59 1bf9 s LYS 62 Cb -0.14 -2.99 0.01 0.00 -1.51 0.00 0.00 37.83 33.21 1bf9 s LYS 62 CO -0.09 0.56 0.18 0.16 -0.36 0.00 0.00 175.35 175.80 1bf9 s ASP 63 N -1.88 5.63 0.00 1.43 -4.77 -1.26 -1.75 116.67 114.07 1bf9 s ASP 63 Ca 0.33 -0.77 0.00 0.00 -3.30 0.00 0.00 52.55 48.81 1bf9 s ASP 63 Cb -0.13 -2.01 0.00 0.00 -1.09 0.00 0.00 42.92 39.69 1bf9 s ASP 63 CO 0.19 -0.29 0.00 0.00 0.70 0.00 0.00 175.17 175.77 1bf9 n GLN 64 N 4.98 2.67 0.01 2.11 6.02 -0.56 -4.97 117.38 127.65 1bf9 n GLN 64 Ca -0.13 0.00 0.11 0.00 -0.01 0.00 0.00 57.00 56.97 1bf9 n GLN 64 Cb 0.47 0.00 -0.06 0.00 1.02 0.00 0.00 30.24 31.68 1bf9 n GLN 64 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 1bf9 n LEU 65 N 0.00 0.54 -0.02 1.08 0.00 -1.26 -4.31 117.00 113.04 1bf9 n LEU 65 Ca 0.00 -0.10 0.04 0.00 0.00 0.00 0.00 56.01 55.95 1bf9 n LEU 65 Cb 0.00 -0.05 -0.09 0.00 0.00 0.00 0.00 43.42 43.28 1bf9 n LEU 65 CO 0.00 0.07 -0.69 0.00 0.00 0.00 0.00 177.39 176.77 1bf9 n GLN 66 N -1.97 0.73 0.00 1.96 10.64 -1.26 -5.08 117.38 122.39 1bf9 n GLN 66 Ca 0.01 -0.09 0.00 0.00 -1.83 0.00 0.00 57.00 55.09 1bf9 n GLN 66 Cb 0.45 -1.29 0.00 0.00 -0.86 0.00 0.00 30.24 28.54 1bf9 n GLN 66 CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.06 174.10 1bf9 n SER 67 N -2.02 0.00 -3.57 2.61 3.41 -1.26 -5.17 113.62 107.61 1bf9 n SER 67 Ca -0.05 0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 58.40 1bf9 n SER 67 Cb 0.43 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.31 1bf9 n SER 67 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 1bf9 s TYR 68 N 2.57 -0.71 -0.13 7.33 1.13 -1.26 -1.50 117.35 124.78 1bf9 s TYR 68 Ca 0.00 1.48 0.01 0.00 -1.41 0.00 0.00 57.07 57.15 1bf9 s TYR 68 Cb 0.00 0.35 0.02 0.00 -1.10 0.00 0.00 41.96 41.23 1bf9 s TYR 68 CO 0.00 -0.49 -0.13 0.42 -2.51 0.00 0.00 175.55 172.84 1bf9 s ILE 69 N -0.45 1.42 0.38 -3.49 1.01 -0.72 -4.83 121.20 114.52 1bf9 s ILE 69 Ca -0.06 -0.55 -0.24 0.00 0.00 0.00 0.00 60.65 59.80 1bf9 s ILE 69 Cb -0.02 -1.34 -0.10 0.00 0.01 0.00 0.00 42.46 41.01 1bf9 s ILE 69 CO 0.05 0.43 0.98 0.00 0.00 0.00 0.00 174.94 176.41 1bf9 s PHE 71 N -1.76 3.54 0.06 0.00 0.40 -0.69 -4.83 117.98 114.69 1bf9 s PHE 71 Ca 0.56 -2.06 -0.01 0.00 -0.60 0.00 0.00 56.93 54.82 1bf9 s PHE 71 Cb -0.18 -3.59 0.02 0.00 0.51 0.00 0.00 43.02 39.78 1bf9 s PHE 71 CO 0.23 -0.96 0.06 0.00 0.70 0.00 0.00 175.22 175.24 1bf9 n LEU 73 N 0.00 0.00 0.04 0.00 4.32 -1.26 -4.89 117.00 115.21 1bf9 n LEU 73 Ca 0.01 -2.07 0.04 0.00 -0.02 0.00 0.00 56.01 53.97 1bf9 n LEU 73 Cb 0.03 -0.13 0.20 0.00 -1.62 0.00 0.00 43.42 41.90 1bf9 n LEU 73 CO 0.02 -0.56 0.63 -2.65 -1.22 0.00 0.00 177.39 173.61 1bf9 n PRO 74 N -1.63 0.04 0.07 3.23 -0.02 -1.26 -1.68 135.00 133.75 1bf9 n PRO 74 Ca 0.03 0.49 -0.16 0.00 -2.02 0.00 0.00 63.50 61.84 1bf9 n PRO 74 Cb 0.47 -1.62 -0.14 0.00 -0.02 0.00 0.00 33.50 32.18 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 2.09 0.25 -0.50 3.55 0.00 -1.96 -3.48 119.26 119.21 1bf9 h ALA 75 Ca 0.00 -1.08 -0.65 0.00 0.00 0.00 0.00 54.91 53.18 1bf9 h ALA 75 Cb 0.06 0.23 -0.11 0.00 0.00 0.00 0.00 17.79 17.97 1bf9 h ALA 75 CO 0.00 1.12 -0.46 -0.06 0.00 0.00 0.00 179.25 179.85 1bf9 s PHE 76 N -2.62 1.85 -0.37 0.00 0.40 -0.68 -1.46 117.98 115.10 1bf9 s PHE 76 Ca -0.08 -0.90 -0.03 0.00 -0.60 0.00 0.00 56.93 55.32 1bf9 s PHE 76 Cb 0.07 -1.71 0.20 0.00 0.51 0.00 0.00 43.02 42.09 1bf9 s PHE 76 CO 0.86 0.06 0.95 -2.00 0.70 0.00 0.00 175.22 175.78 1bf9 s GLU 77 N -3.98 0.43 0.12 0.44 2.12 -1.13 -4.36 118.70 112.35 1bf9 s GLU 77 Ca 0.15 -0.30 -0.26 0.00 0.36 0.00 0.00 54.97 54.93 1bf9 s GLU 77 Cb 0.01 0.01 0.07 0.00 0.26 0.00 0.00 34.13 34.49 1bf9 s GLU 77 CO 0.09 -0.57 1.00 0.20 -0.54 0.00 0.00 175.26 175.44 1bf9 s GLY 78 N 1.46 -0.26 0.24 -1.50 0.00 -1.26 -4.42 107.32 101.57 1bf9 s GLY 78 Ca 0.20 0.23 -0.05 0.00 0.00 0.00 0.00 44.72 45.10 1bf9 s GLY 78 CO -0.11 0.03 1.69 -0.09 0.00 0.00 0.00 173.10 174.63 1bf9 h ARG 79 N 2.00 0.29 -0.22 2.90 9.65 -2.00 -1.99 114.38 125.01 1bf9 h ARG 79 Ca -0.25 -0.02 -0.14 0.00 -1.10 0.00 0.00 59.98 58.48 1bf9 h ARG 79 Cb 1.23 -0.06 -0.09 0.00 -1.39 0.00 0.00 29.97 29.65 1bf9 h ARG 79 CO 0.26 0.19 -0.39 0.09 2.80 0.00 0.00 179.97 182.91 1bf9 n ASN 80 N -5.13 2.45 -0.63 -3.80 5.03 -1.26 -2.99 115.26 108.93 1bf9 n ASN 80 Ca 0.13 -3.86 -0.08 0.00 0.87 0.00 0.00 54.58 51.65 1bf9 n ASN 80 Cb 0.43 -0.55 -0.03 0.00 -1.02 0.00 0.00 39.78 38.61 1bf9 n ASN 80 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1bf9 h GLU 82 N 0.00 0.00 -2.79 0.00 4.81 -1.90 -3.32 114.58 111.38 1bf9 h GLU 82 Ca -0.17 0.00 -0.73 0.00 -0.13 0.00 0.00 59.36 58.34 1bf9 h GLU 82 Cb 1.12 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 30.41 1bf9 h GLU 82 CO 0.24 0.00 2.70 2.41 -0.73 0.00 0.00 179.01 183.63 1bf9 n THR 83 N -2.36 4.95 -1.61 0.32 -1.04 -1.26 -4.96 114.28 108.32 1bf9 n THR 83 Ca 0.02 -3.95 -0.52 0.00 -2.04 0.00 0.00 64.05 57.57 1bf9 n THR 83 Cb 0.27 -2.22 -0.06 0.00 -1.82 0.00 0.00 70.33 66.50 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 2.36 2.01 0.00 -1.42 -0.00 -1.25 -2.84 115.22 114.08 1bf9 n HIS 84 Ca 0.64 0.24 0.00 0.00 -0.00 0.00 0.00 57.72 58.60 1bf9 n HIS 84 Cb 0.25 -2.56 0.00 0.00 -0.00 0.00 0.00 29.99 27.68 1bf9 n HIS 84 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97