#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 -7.53 0.00 6.43 9.92 -1.26 -5.01 116.55 119.10 1bf9 n ASP 46 Ca 0.00 1.00 0.00 0.00 -0.53 0.00 0.00 54.79 55.26 1bf9 n ASP 46 Cb 0.00 -5.03 0.00 0.00 -0.64 0.00 0.00 41.12 35.45 1bf9 n ASP 46 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1bf9 n GLY 47 N 0.26 -1.32 0.47 0.44 0.00 -1.26 -5.06 105.19 98.73 1bf9 n GLY 47 Ca 0.04 0.57 -0.12 0.00 0.00 0.00 0.00 46.02 46.51 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 1.45 0.01 1.61 9.92 -1.26 -3.92 116.55 124.36 1bf9 n ASP 48 Ca 0.00 0.10 -0.10 0.00 -0.53 0.00 0.00 54.79 54.26 1bf9 n ASP 48 Cb 0.00 -0.32 -0.04 0.00 -0.64 0.00 0.00 41.12 40.12 1bf9 n ASP 48 CO 0.00 0.00 0.00 1.56 0.13 0.00 0.00 177.20 178.89 1bf9 h GLN 49 N -0.34 -0.32 0.00 -1.24 7.50 -1.97 0.57 115.11 119.31 1bf9 h GLN 49 Ca -0.31 0.02 0.00 0.00 0.50 0.00 0.00 58.65 58.87 1bf9 h GLN 49 Cb 1.31 0.07 0.00 0.00 0.05 0.00 0.00 27.48 28.92 1bf9 h GLN 49 CO -0.16 -0.22 0.00 0.00 -1.50 0.00 0.00 178.83 176.96 1bf9 h ALA 51 N 3.32 0.42 0.00 0.00 0.00 -1.01 -2.76 119.26 119.23 1bf9 h ALA 51 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1bf9 h ALA 51 Cb 0.33 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1bf9 h ALA 51 CO 0.00 0.62 0.00 0.43 0.00 0.00 0.00 179.25 180.30 1bf9 n SER 52 N -4.06 0.00 -2.42 0.00 7.64 -1.03 -4.91 113.62 108.84 1bf9 n SER 52 Ca -0.05 -0.30 -0.03 0.00 1.01 0.00 0.00 58.87 59.50 1bf9 n SER 52 Cb 0.61 -0.19 0.01 0.00 -1.01 0.00 0.00 64.21 63.64 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 -1.19 -5.09 0.24 6.43 2.88 -1.04 -4.98 113.62 110.86 1bf9 n SER 53 Ca 0.14 -0.16 -0.09 0.00 -1.33 0.00 0.00 58.87 57.43 1bf9 n SER 53 Cb 0.16 -3.37 -0.05 0.00 -0.75 0.00 0.00 64.21 60.21 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 -0.02 -0.59 -6.14 -1.46 0.13 -1.80 -3.44 132.00 118.67 1bf9 h PRO 54 Ca -0.11 0.04 -0.56 0.00 -0.87 0.00 0.00 66.00 64.50 1bf9 h PRO 54 Cb 1.06 0.14 0.22 0.00 0.13 0.00 0.00 31.00 32.54 1bf9 h PRO 54 CO 0.20 -0.40 -1.44 0.00 -0.23 0.00 0.00 178.00 176.13 1bf9 n GLN 56 N 1.55 0.32 -3.80 0.00 6.02 -1.21 -4.68 117.38 115.59 1bf9 n GLN 56 Ca 0.02 -1.85 -0.28 0.00 -0.01 0.00 0.00 57.00 54.88 1bf9 n GLN 56 Cb 0.53 1.43 0.04 0.00 1.02 0.00 0.00 30.24 33.26 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 -2.18 -5.02 -0.55 1.08 3.02 -1.26 -0.59 115.26 109.75 1bf9 n ASN 57 Ca 0.03 -0.70 -0.07 0.00 -0.03 0.00 0.00 54.58 53.81 1bf9 n ASN 57 Cb 0.33 -4.28 -0.03 0.00 -0.61 0.00 0.00 39.78 35.20 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 -1.77 0.80 3.87 7.41 0.00 -1.26 -4.75 105.19 109.48 1bf9 n GLY 58 Ca 0.00 -0.73 -0.34 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.90 2.35 0.70 -0.02 0.00 0.25 -4.81 107.32 102.88 1bf9 s GLY 59 Ca 0.00 -0.32 -0.02 0.00 0.00 0.00 0.00 44.72 44.38 1bf9 s GLY 59 CO 0.00 -0.12 0.97 -0.56 0.00 0.00 0.00 173.10 173.39 1bf9 s SER 60 N -1.95 4.50 -0.04 1.64 0.01 -0.78 -4.20 113.70 112.88 1bf9 s SER 60 Ca 0.38 -0.20 0.05 0.00 1.31 0.00 0.00 55.95 57.49 1bf9 s SER 60 Cb -0.13 -0.28 -0.01 0.00 0.21 0.00 0.00 66.02 65.81 1bf9 s SER 60 CO 0.20 -1.75 -0.20 0.00 0.41 0.00 0.00 173.24 171.90 1bf9 s LYS 62 N -0.17 2.78 -0.15 0.00 2.20 0.15 -4.82 119.74 119.74 1bf9 s LYS 62 Ca -0.00 -0.70 -0.01 0.00 -0.36 0.00 0.00 55.97 54.91 1bf9 s LYS 62 Cb -0.11 -2.67 -0.01 0.00 -1.51 0.00 0.00 37.83 33.53 1bf9 s LYS 62 CO 0.02 0.58 -0.12 0.34 -0.36 0.00 0.00 175.35 175.80 1bf9 s ASP 63 N -2.14 3.98 0.10 1.43 -1.08 -1.26 -1.78 116.67 115.92 1bf9 s ASP 63 Ca 0.26 -0.37 -0.04 0.00 -0.52 0.00 0.00 52.55 51.87 1bf9 s ASP 63 Cb -0.12 -1.62 -0.03 0.00 -1.46 0.00 0.00 42.92 39.69 1bf9 s ASP 63 CO 0.18 0.11 0.11 -1.10 0.52 0.00 0.00 175.17 174.99 1bf9 s GLN 64 N 0.65 0.86 0.00 4.34 -0.21 0.82 -4.95 119.66 121.17 1bf9 s GLN 64 Ca -0.06 -1.22 0.00 0.00 0.02 0.00 0.00 55.36 54.10 1bf9 s GLN 64 Cb -0.15 0.28 0.00 0.00 1.00 0.00 0.00 33.01 34.14 1bf9 s GLN 64 CO 0.02 -0.25 0.31 1.28 -2.12 0.00 0.00 175.29 174.53 1bf9 n LEU 65 N -0.05 0.00 -0.55 2.90 4.32 -1.26 -2.04 117.00 120.32 1bf9 n LEU 65 Ca -0.10 0.31 0.41 0.00 -0.02 0.00 0.00 56.01 56.61 1bf9 n LEU 65 Cb 0.62 0.00 0.64 0.00 -1.62 0.00 0.00 43.42 43.06 1bf9 n LEU 65 CO 0.27 0.00 1.16 0.00 -1.22 0.00 0.00 177.39 177.59 1bf9 n GLN 66 N -0.43 -0.00 -1.61 3.23 -0.00 -1.26 -4.76 117.38 112.55 1bf9 n GLN 66 Ca 0.00 0.86 0.00 0.00 -0.00 0.00 0.00 57.00 57.86 1bf9 n GLN 66 Cb 0.00 -1.96 0.00 0.00 -0.00 0.00 0.00 30.24 28.28 1bf9 n GLN 66 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 1bf9 n SER 67 N -3.55 0.00 -4.27 2.61 7.64 -0.87 -5.16 113.62 110.03 1bf9 n SER 67 Ca 0.35 0.00 -0.21 0.00 1.01 0.00 0.00 58.87 60.02 1bf9 n SER 67 Cb 1.57 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 64.65 1bf9 n SER 67 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 1bf9 s TYR 68 N -3.54 1.60 -0.08 1.43 1.13 -1.26 -0.13 117.35 116.49 1bf9 s TYR 68 Ca 0.00 -0.49 -0.01 0.00 -1.41 0.00 0.00 57.07 55.17 1bf9 s TYR 68 Cb 0.00 -0.84 0.03 0.00 -1.10 0.00 0.00 41.96 40.05 1bf9 s TYR 68 CO 0.00 0.21 -0.03 0.42 -2.51 0.00 0.00 175.55 173.63 1bf9 s ILE 69 N -1.79 0.64 0.88 -3.49 1.01 -0.74 -4.92 121.20 112.79 1bf9 s ILE 69 Ca 0.09 -0.07 -0.14 0.00 0.00 0.00 0.00 60.65 60.54 1bf9 s ILE 69 Cb -0.07 -0.72 0.13 0.00 0.01 0.00 0.00 42.46 41.81 1bf9 s ILE 69 CO 0.04 0.29 1.22 0.00 0.00 0.00 0.00 174.94 176.50 1bf9 s PHE 71 N -3.65 -0.39 0.00 0.00 0.08 -0.48 -4.82 117.98 108.71 1bf9 s PHE 71 Ca 0.66 0.01 0.00 0.00 0.12 0.00 0.00 56.93 57.73 1bf9 s PHE 71 Cb -0.09 -0.41 0.00 0.00 -0.57 0.00 0.00 43.02 41.95 1bf9 s PHE 71 CO 0.51 -0.79 0.00 0.00 -0.10 0.00 0.00 175.22 174.84 1bf9 n LEU 73 N 0.00 0.00 0.01 0.00 4.32 -1.26 -4.86 117.00 115.21 1bf9 n LEU 73 Ca 0.00 -1.72 0.02 0.00 -0.02 0.00 0.00 56.01 54.30 1bf9 n LEU 73 Cb 0.00 0.18 0.11 0.00 -1.62 0.00 0.00 43.42 42.10 1bf9 n LEU 73 CO 0.00 -0.26 0.58 -2.65 -1.22 0.00 0.00 177.39 173.84 1bf9 n PRO 74 N -0.72 0.01 -0.00 3.23 -0.02 -1.26 -1.72 135.00 134.53 1bf9 n PRO 74 Ca -0.11 0.45 -0.12 0.00 -2.02 0.00 0.00 63.50 61.70 1bf9 n PRO 74 Cb 0.35 -1.54 -0.14 0.00 -0.02 0.00 0.00 33.50 32.15 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 2.12 0.62 -0.53 3.55 0.00 -1.98 -3.48 119.26 119.55 1bf9 h ALA 75 Ca 0.00 -1.38 -0.65 0.00 0.00 0.00 0.00 54.91 52.88 1bf9 h ALA 75 Cb 0.06 0.48 -0.11 0.00 0.00 0.00 0.00 17.79 18.23 1bf9 h ALA 75 CO 0.00 1.46 -0.47 -0.06 0.00 0.00 0.00 179.25 180.18 1bf9 s PHE 76 N -2.60 1.88 -0.29 0.00 0.40 -0.70 -1.46 117.98 115.22 1bf9 s PHE 76 Ca -0.09 -0.90 -0.18 0.00 -0.60 0.00 0.00 56.93 55.16 1bf9 s PHE 76 Cb 0.08 -1.71 0.15 0.00 0.51 0.00 0.00 43.02 42.05 1bf9 s PHE 76 CO 0.81 0.08 1.03 -1.83 0.70 0.00 0.00 175.22 176.01 1bf9 s GLU 77 N -3.96 0.36 0.00 0.44 -1.05 -1.13 -4.29 118.70 109.07 1bf9 s GLU 77 Ca 0.15 0.57 0.00 0.00 -0.15 0.00 0.00 54.97 55.54 1bf9 s GLU 77 Cb 0.01 0.10 0.00 0.00 -0.44 0.00 0.00 34.13 33.80 1bf9 s GLU 77 CO 0.09 -0.07 0.00 0.41 0.95 0.00 0.00 175.26 176.64 1bf9 n GLY 78 N 3.27 3.25 0.12 -3.83 0.00 -1.26 -3.03 105.19 103.72 1bf9 n GLY 78 Ca -0.17 -1.47 0.07 0.00 0.00 0.00 0.00 46.02 44.45 1bf9 n GLY 78 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1bf9 n ARG 79 N -1.70 0.09 -0.90 1.61 0.63 -1.26 -2.60 116.66 112.53 1bf9 n ARG 79 Ca 0.00 0.56 -0.02 0.00 -0.92 0.00 0.00 57.85 57.47 1bf9 n ARG 79 Cb 0.00 -1.90 -0.03 0.00 0.45 0.00 0.00 32.46 30.98 1bf9 n ARG 79 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1bf9 n ASN 80 N -1.99 -0.25 0.00 6.15 4.13 -1.26 -3.43 115.26 118.61 1bf9 n ASN 80 Ca -0.01 -1.73 0.00 0.00 1.68 0.00 0.00 54.58 54.52 1bf9 n ASN 80 Cb 0.13 0.05 0.00 0.00 -1.54 0.00 0.00 39.78 38.42 1bf9 n ASN 80 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1bf9 n GLU 82 N -0.10 0.04 -3.52 0.00 2.13 -1.26 -3.53 120.64 114.40 1bf9 n GLU 82 Ca 0.00 0.50 -0.35 0.00 0.66 0.00 0.00 57.16 57.97 1bf9 n GLU 82 Cb 0.36 -1.62 -0.06 0.00 0.27 0.00 0.00 31.44 30.39 1bf9 n GLU 82 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 1bf9 n THR 83 N -1.70 3.17 -1.70 6.31 -1.04 -1.17 -5.05 114.28 113.11 1bf9 n THR 83 Ca 0.00 -5.24 -0.43 0.00 -2.04 0.00 0.00 64.05 56.34 1bf9 n THR 83 Cb 0.04 -2.28 -0.03 0.00 -1.82 0.00 0.00 70.33 66.23 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 1.88 2.58 0.45 -1.42 -0.00 -1.23 -2.82 115.22 114.65 1bf9 n HIS 84 Ca 0.24 0.06 0.04 0.00 -0.00 0.00 0.00 57.72 58.05 1bf9 n HIS 84 Cb 0.37 -2.65 0.21 0.00 -0.00 0.00 0.00 29.99 27.92 1bf9 n HIS 84 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97