#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 0.80 -0.07 6.43 9.92 -1.26 -5.06 116.55 127.31 1bf9 n ASP 46 Ca 0.00 -1.29 -0.08 0.00 -0.53 0.00 0.00 54.79 52.89 1bf9 n ASP 46 Cb 0.00 -0.04 -0.10 0.00 -0.64 0.00 0.00 41.12 40.33 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 3.83 -0.61 0.25 0.44 0.00 -1.26 -4.39 105.19 103.46 1bf9 n GLY 47 Ca 0.01 -0.21 0.16 0.00 0.00 0.00 0.00 46.02 45.99 1bf9 n GLY 47 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1bf9 h ASP 48 N 0.00 0.00 0.00 1.61 3.32 -1.97 -3.46 116.42 115.92 1bf9 h ASP 48 Ca -0.37 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.68 1bf9 h ASP 48 Cb 1.81 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.36 1bf9 h ASP 48 CO 0.01 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.53 1bf9 n GLN 49 N -2.95 0.00 -0.03 3.56 6.02 -1.26 -4.53 117.38 118.19 1bf9 n GLN 49 Ca 0.01 0.00 0.03 0.00 -0.01 0.00 0.00 57.00 57.03 1bf9 n GLN 49 Cb 0.30 -1.17 0.15 0.00 1.02 0.00 0.00 30.24 30.53 1bf9 n GLN 49 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1bf9 h ALA 51 N 3.26 1.07 -0.01 0.00 0.00 -1.98 -1.10 119.26 120.50 1bf9 h ALA 51 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1bf9 h ALA 51 Cb 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1bf9 h ALA 51 CO 0.00 0.01 -0.38 0.45 0.00 0.00 0.00 179.25 179.32 1bf9 n SER 52 N -3.19 1.54 -2.46 0.00 2.88 -1.25 -5.02 113.62 106.12 1bf9 n SER 52 Ca -0.02 -1.27 -0.01 0.00 -1.33 0.00 0.00 58.87 56.24 1bf9 n SER 52 Cb 0.12 0.53 0.00 0.00 -0.75 0.00 0.00 64.21 64.11 1bf9 n SER 52 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1bf9 n SER 53 N -0.26 -5.66 0.42 -3.46 7.64 -0.42 -4.97 113.62 106.92 1bf9 n SER 53 Ca 0.06 0.00 -0.16 0.00 1.01 0.00 0.00 58.87 59.78 1bf9 n SER 53 Cb 0.33 -3.72 -0.08 0.00 -1.01 0.00 0.00 64.21 59.73 1bf9 n SER 53 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 1bf9 h PRO 54 N 0.41 -1.02 -6.70 1.43 0.11 -1.83 -3.43 132.00 120.96 1bf9 h PRO 54 Ca 0.00 0.07 -0.58 0.00 0.11 0.00 0.00 66.00 65.60 1bf9 h PRO 54 Cb 0.96 0.23 0.16 0.00 0.11 0.00 0.00 31.00 32.46 1bf9 h PRO 54 CO 0.18 -0.68 -0.03 0.00 -0.21 0.00 0.00 178.00 177.26 1bf9 n GLN 56 N -0.53 0.34 -3.81 0.00 6.02 -1.19 -4.65 117.38 113.56 1bf9 n GLN 56 Ca 0.12 -1.79 -0.28 0.00 -0.01 0.00 0.00 57.00 55.04 1bf9 n GLN 56 Cb 0.46 1.35 0.04 0.00 1.02 0.00 0.00 30.24 33.11 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 -5.27 -0.36 1.08 3.02 -1.26 -0.59 115.26 109.70 1bf9 n ASN 57 Ca 0.02 -0.70 -0.05 0.00 -0.03 0.00 0.00 54.58 53.83 1bf9 n ASN 57 Cb 0.32 -4.26 -0.02 0.00 -0.61 0.00 0.00 39.78 35.22 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 -1.79 0.70 3.83 7.41 0.00 -1.26 -4.82 105.19 109.25 1bf9 n GLY 58 Ca 0.03 -0.85 -0.37 0.00 0.00 0.00 0.00 46.02 44.82 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 -2.94 2.57 0.87 -0.02 0.00 0.24 -4.80 107.32 103.25 1bf9 s GLY 59 Ca 0.00 -0.04 -0.10 0.00 0.00 0.00 0.00 44.72 44.58 1bf9 s GLY 59 CO 0.00 0.32 1.20 -0.45 0.00 0.00 0.00 173.10 174.17 1bf9 s SER 60 N -1.39 3.57 -0.02 1.64 0.15 -0.60 -4.24 113.70 112.81 1bf9 s SER 60 Ca 0.33 0.01 0.03 0.00 0.70 0.00 0.00 55.95 57.02 1bf9 s SER 60 Cb -0.17 -0.17 0.00 0.00 -1.71 0.00 0.00 66.02 63.96 1bf9 s SER 60 CO 0.19 -2.41 -0.10 0.00 1.20 0.00 0.00 173.24 172.12 1bf9 s LYS 62 N 0.09 2.46 -0.39 0.00 2.20 0.25 -4.93 119.74 119.41 1bf9 s LYS 62 Ca -0.02 -0.74 -0.08 0.00 -0.36 0.00 0.00 55.97 54.77 1bf9 s LYS 62 Cb -0.08 -2.40 0.06 0.00 -1.51 0.00 0.00 37.83 33.90 1bf9 s LYS 62 CO 0.00 0.60 0.21 0.34 -0.36 0.00 0.00 175.35 176.14 1bf9 s ASP 63 N -1.11 5.52 0.48 1.43 2.15 -1.26 -1.10 116.67 122.78 1bf9 s ASP 63 Ca 0.14 -1.39 0.07 0.00 0.43 0.00 0.00 52.55 51.79 1bf9 s ASP 63 Cb -0.11 -1.94 0.00 0.00 -0.30 0.00 0.00 42.92 40.57 1bf9 s ASP 63 CO 0.04 -0.46 0.36 -1.10 -0.17 0.00 0.00 175.17 173.83 1bf9 s GLN 64 N 1.41 2.33 0.00 4.34 -0.21 0.32 -4.96 119.66 122.90 1bf9 s GLN 64 Ca 0.02 -1.83 0.00 0.00 0.02 0.00 0.00 55.36 53.57 1bf9 s GLN 64 Cb -0.22 -2.17 0.00 0.00 1.00 0.00 0.00 33.01 31.63 1bf9 s GLN 64 CO 0.02 -0.39 0.69 1.28 -2.12 0.00 0.00 175.29 174.77 1bf9 n LEU 65 N -1.60 0.00 -0.33 2.90 4.32 -1.26 -2.90 117.00 118.13 1bf9 n LEU 65 Ca 0.00 0.69 0.32 0.00 -0.02 0.00 0.00 56.01 57.00 1bf9 n LEU 65 Cb 0.64 -0.19 0.57 0.00 -1.62 0.00 0.00 43.42 42.82 1bf9 n LEU 65 CO 0.41 -0.19 1.03 0.00 -1.22 0.00 0.00 177.39 177.42 1bf9 n GLN 66 N -1.08 -0.05 0.00 3.23 10.64 -1.26 -4.80 117.38 124.06 1bf9 n GLN 66 Ca 0.00 1.27 0.00 0.00 -1.83 0.00 0.00 57.00 56.44 1bf9 n GLN 66 Cb 0.00 -2.33 0.00 0.00 -0.86 0.00 0.00 30.24 27.05 1bf9 n GLN 66 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 1bf9 n SER 67 N -5.02 0.00 -3.59 2.61 2.88 -1.14 -5.17 113.62 104.20 1bf9 n SER 67 Ca 0.36 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.74 1bf9 n SER 67 Cb 1.27 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 64.66 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 2.46 -0.59 -0.08 0.66 1.13 -1.26 -0.52 117.35 119.14 1bf9 s TYR 68 Ca 0.00 1.10 0.01 0.00 -1.41 0.00 0.00 57.07 56.77 1bf9 s TYR 68 Cb 0.00 0.33 0.02 0.00 -1.10 0.00 0.00 41.96 41.21 1bf9 s TYR 68 CO 0.00 -0.52 -0.08 -1.50 -2.51 0.00 0.00 175.55 170.94 1bf9 s ILE 69 N -0.92 0.92 0.91 -3.49 2.07 -0.26 -4.89 121.20 115.55 1bf9 s ILE 69 Ca -0.09 -0.28 -0.14 0.00 -1.41 0.00 0.00 60.65 58.72 1bf9 s ILE 69 Cb -0.02 -0.92 0.15 0.00 0.13 0.00 0.00 42.46 41.81 1bf9 s ILE 69 CO 0.07 0.33 1.24 0.00 -1.91 0.00 0.00 174.94 174.68 1bf9 s PHE 71 N -3.68 -0.36 0.00 0.00 0.08 -0.56 -4.80 117.98 108.66 1bf9 s PHE 71 Ca 0.68 -0.37 0.00 0.00 0.12 0.00 0.00 56.93 57.37 1bf9 s PHE 71 Cb -0.08 -0.49 0.00 0.00 -0.57 0.00 0.00 43.02 41.88 1bf9 s PHE 71 CO 0.52 -0.92 0.00 0.00 -0.10 0.00 0.00 175.22 174.71 1bf9 n LEU 73 N 0.00 0.00 0.05 0.00 4.77 -1.26 -4.84 117.00 115.72 1bf9 n LEU 73 Ca 0.00 -1.73 0.04 0.00 -0.03 0.00 0.00 56.01 54.29 1bf9 n LEU 73 Cb 0.00 -0.01 0.21 0.00 -2.33 0.00 0.00 43.42 41.29 1bf9 n LEU 73 CO 0.00 -0.44 0.62 -2.65 -1.33 0.00 0.00 177.39 173.59 1bf9 n PRO 74 N -1.24 0.04 0.07 3.23 -0.02 -1.26 -1.70 135.00 134.12 1bf9 n PRO 74 Ca -0.02 0.51 -0.17 0.00 -2.02 0.00 0.00 63.50 61.80 1bf9 n PRO 74 Cb 0.38 -1.64 -0.14 0.00 -0.02 0.00 0.00 33.50 32.08 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 2.06 0.26 -0.63 3.55 0.00 -1.97 -3.48 119.26 119.05 1bf9 h ALA 75 Ca 0.00 -1.10 -0.60 0.00 0.00 0.00 0.00 54.91 53.21 1bf9 h ALA 75 Cb 0.04 0.28 -0.07 0.00 0.00 0.00 0.00 17.79 18.04 1bf9 h ALA 75 CO 0.00 1.13 -0.37 -0.06 0.00 0.00 0.00 179.25 179.95 1bf9 s PHE 76 N -2.62 1.79 -0.37 0.00 0.40 -0.69 -1.13 117.98 115.37 1bf9 s PHE 76 Ca -0.09 -0.83 -0.02 0.00 -0.60 0.00 0.00 56.93 55.38 1bf9 s PHE 76 Cb 0.07 -1.86 0.24 0.00 0.51 0.00 0.00 43.02 41.97 1bf9 s PHE 76 CO 0.85 -0.26 1.09 -0.85 0.70 0.00 0.00 175.22 176.75 1bf9 n GLU 77 N -1.61 0.24 -3.95 0.44 0.28 -1.21 -4.44 120.64 110.39 1bf9 n GLU 77 Ca -0.05 -1.00 -0.10 0.00 -0.16 0.00 0.00 57.16 55.85 1bf9 n GLU 77 Cb 0.65 -0.37 -0.03 0.00 1.43 0.00 0.00 31.44 33.12 1bf9 n GLU 77 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 1bf9 s GLY 78 N 0.19 0.54 0.43 -1.84 0.00 -1.26 -4.59 107.32 100.79 1bf9 s GLY 78 Ca 0.26 -0.85 0.23 0.00 0.00 0.00 0.00 44.72 44.36 1bf9 s GLY 78 CO -0.11 -0.53 1.66 3.21 0.00 0.00 0.00 173.10 177.33 1bf9 h ARG 79 N 2.13 0.00 -0.00 2.90 2.47 -1.99 -2.80 114.38 117.09 1bf9 h ARG 79 Ca -0.26 0.00 -0.15 0.00 -1.26 0.00 0.00 59.98 58.31 1bf9 h ARG 79 Cb 1.25 0.00 -0.21 0.00 -1.65 0.00 0.00 29.97 29.36 1bf9 h ARG 79 CO 0.34 0.00 -0.51 0.09 0.56 0.00 0.00 179.97 180.45 1bf9 n ASN 80 N -2.40 -0.42 0.00 7.04 3.02 -1.26 -3.58 115.26 117.66 1bf9 n ASN 80 Ca -0.02 -2.01 0.00 0.00 -0.03 0.00 0.00 54.58 52.53 1bf9 n ASN 80 Cb 0.22 0.13 0.00 0.00 -0.61 0.00 0.00 39.78 39.52 1bf9 n ASN 80 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1bf9 n GLU 82 N -0.97 0.08 -2.73 0.00 2.13 -1.26 -3.28 120.64 114.61 1bf9 n GLU 82 Ca 0.00 0.25 -0.35 0.00 0.66 0.00 0.00 57.16 57.72 1bf9 n GLU 82 Cb 0.22 -1.50 -0.01 0.00 0.27 0.00 0.00 31.44 30.42 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 -1.39 4.60 -1.72 6.31 -1.04 -1.26 -5.02 114.28 114.77 1bf9 n THR 83 Ca 0.04 -5.71 -0.61 0.00 -2.04 0.00 0.00 64.05 55.73 1bf9 n THR 83 Cb 0.11 -1.46 -0.08 0.00 -1.82 0.00 0.00 70.33 67.07 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 -0.18 1.95 0.00 -1.42 -0.00 -1.20 -3.32 115.22 111.05 1bf9 n HIS 84 Ca 0.40 0.73 0.00 0.00 -0.00 0.00 0.00 57.72 58.86 1bf9 n HIS 84 Cb 0.33 -2.39 0.00 0.00 -0.00 0.00 0.00 29.99 27.93 1bf9 n HIS 84 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97