#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 0.63 0.00 -3.46 8.00 -1.26 -4.51 116.55 115.95 1bf9 n ASP 46 Ca 0.00 1.15 0.00 0.00 0.71 0.00 0.00 54.79 56.65 1bf9 n ASP 46 Cb 0.00 -1.01 0.00 0.00 -0.02 0.00 0.00 41.12 40.09 1bf9 n ASP 46 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1bf9 n GLY 47 N 1.97 1.06 0.00 0.44 0.00 -1.26 -4.98 105.19 102.42 1bf9 n GLY 47 Ca 0.20 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.57 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 0.00 0.03 1.61 9.92 -1.26 -4.80 116.55 122.04 1bf9 n ASP 48 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1bf9 n ASP 48 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 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 0.00 0.00 0.00 -1.24 1.13 -1.26 -4.82 117.38 111.19 1bf9 n GLN 49 Ca 0.00 0.00 0.15 0.00 -1.94 0.00 0.00 57.00 55.21 1bf9 n GLN 49 Cb 0.00 -0.05 0.84 0.00 0.11 0.00 0.00 30.24 31.13 1bf9 n GLN 49 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1bf9 h ALA 51 N 3.67 0.70 -0.01 0.00 0.00 -1.87 -2.20 119.26 119.54 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 0.15 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1bf9 h ALA 51 CO 0.00 0.03 -0.32 0.45 0.00 0.00 0.00 179.25 179.41 1bf9 n SER 52 N -4.79 1.55 -2.37 0.00 2.88 -1.25 -5.01 113.62 104.64 1bf9 n SER 52 Ca 0.04 -1.23 -0.03 0.00 -1.33 0.00 0.00 58.87 56.32 1bf9 n SER 52 Cb 0.09 0.26 0.00 0.00 -0.75 0.00 0.00 64.21 63.81 1bf9 n SER 52 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1bf9 n SER 53 N -0.26 -6.00 0.38 -3.46 2.88 -0.83 -4.95 113.62 101.38 1bf9 n SER 53 Ca 0.11 0.57 -0.16 0.00 -1.33 0.00 0.00 58.87 58.07 1bf9 n SER 53 Cb 0.41 -3.93 -0.08 0.00 -0.75 0.00 0.00 64.21 59.87 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 1.58 -0.96 -6.12 -1.46 0.13 -1.85 -3.44 132.00 119.87 1bf9 h PRO 54 Ca 0.00 0.07 -0.55 0.00 -0.87 0.00 0.00 66.00 64.65 1bf9 h PRO 54 Cb 0.43 0.22 0.23 0.00 0.13 0.00 0.00 31.00 32.02 1bf9 h PRO 54 CO 0.11 -0.64 -1.64 0.00 -0.23 0.00 0.00 178.00 175.60 1bf9 n GLN 56 N 1.81 0.58 -3.62 0.00 6.02 -0.07 -4.76 117.38 117.33 1bf9 n GLN 56 Ca -0.00 -3.10 -0.27 0.00 -0.01 0.00 0.00 57.00 53.61 1bf9 n GLN 56 Cb 0.55 2.77 0.03 0.00 1.02 0.00 0.00 30.24 34.62 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 -5.57 -0.99 1.08 3.02 -1.26 -0.25 115.26 109.65 1bf9 n ASN 57 Ca 0.04 -0.91 -0.13 0.00 -0.03 0.00 0.00 54.58 53.55 1bf9 n ASN 57 Cb 0.61 -3.40 -0.06 0.00 -0.61 0.00 0.00 39.78 36.32 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 -1.68 1.28 3.88 7.41 0.00 -1.26 -4.78 105.19 110.04 1bf9 n GLY 58 Ca -0.11 -0.09 -0.30 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.56 1.91 0.29 -0.02 0.00 0.65 -4.86 107.32 102.73 1bf9 s GLY 59 Ca 0.00 -0.21 0.07 0.00 0.00 0.00 0.00 44.72 44.58 1bf9 s GLY 59 CO 0.00 -0.02 0.27 -0.45 0.00 0.00 0.00 173.10 172.90 1bf9 s SER 60 N -3.25 5.52 -0.09 1.64 0.15 -1.23 -4.35 113.70 112.09 1bf9 s SER 60 Ca 0.51 -0.32 0.04 0.00 0.70 0.00 0.00 55.95 56.88 1bf9 s SER 60 Cb -0.10 -1.24 -0.01 0.00 -1.71 0.00 0.00 66.02 62.96 1bf9 s SER 60 CO 0.33 -0.21 -0.22 0.00 1.20 0.00 0.00 173.24 174.34 1bf9 s LYS 62 N 0.13 3.65 -0.32 0.00 2.20 0.19 -4.92 119.74 120.68 1bf9 s LYS 62 Ca -0.11 0.09 -0.02 0.00 -0.36 0.00 0.00 55.97 55.57 1bf9 s LYS 62 Cb -0.16 -3.17 0.06 0.00 -1.51 0.00 0.00 37.83 33.06 1bf9 s LYS 62 CO 0.06 0.71 0.04 0.34 -0.36 0.00 0.00 175.35 176.14 1bf9 s ASP 63 N -1.24 4.95 0.50 1.43 2.15 -1.26 -1.96 116.67 121.24 1bf9 s ASP 63 Ca 0.22 -1.48 0.07 0.00 0.43 0.00 0.00 52.55 51.79 1bf9 s ASP 63 Cb -0.14 -1.73 0.02 0.00 -0.30 0.00 0.00 42.92 40.77 1bf9 s ASP 63 CO 0.11 -0.32 0.46 -1.10 -0.17 0.00 0.00 175.17 174.15 1bf9 s GLN 64 N 1.21 2.38 0.20 4.34 -0.21 -0.30 -5.00 119.66 122.28 1bf9 s GLN 64 Ca -0.02 -1.75 0.25 0.00 0.02 0.00 0.00 55.36 53.86 1bf9 s GLN 64 Cb -0.20 -2.31 0.64 0.00 1.00 0.00 0.00 33.01 32.14 1bf9 s GLN 64 CO -0.02 -0.49 1.64 1.25 -2.12 0.00 0.00 175.29 175.55 1bf9 h LEU 65 N 0.76 0.00 0.00 2.90 6.46 -2.03 -3.29 115.31 120.12 1bf9 h LEU 65 Ca -0.37 -0.05 -0.15 0.00 -0.12 0.00 0.00 57.88 57.18 1bf9 h LEU 65 Cb 1.29 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 41.19 1bf9 h LEU 65 CO 0.54 0.03 -2.06 0.00 -0.62 0.00 0.00 178.44 176.33 1bf9 n GLN 66 N -2.29 0.77 0.00 1.25 0.00 -1.26 -5.08 117.38 110.78 1bf9 n GLN 66 Ca 0.05 -0.11 0.00 0.00 0.00 0.00 0.00 57.00 56.94 1bf9 n GLN 66 Cb 0.44 -1.47 0.00 0.00 0.00 0.00 0.00 30.24 29.21 1bf9 n GLN 66 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.06 175.93 1bf9 n SER 67 N -2.40 0.21 -3.52 2.61 3.41 -1.24 -5.18 113.62 107.52 1bf9 n SER 67 Ca -0.15 0.00 -0.17 0.00 -0.26 0.00 0.00 58.87 58.29 1bf9 n SER 67 Cb 0.77 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.66 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 1.49 -0.63 -0.06 7.33 1.13 -1.26 -1.15 117.35 124.20 1bf9 s TYR 68 Ca 0.00 1.05 -0.02 0.00 -1.41 0.00 0.00 57.07 56.68 1bf9 s TYR 68 Cb 0.00 0.42 0.04 0.00 -1.10 0.00 0.00 41.96 41.32 1bf9 s TYR 68 CO 0.00 -0.61 0.10 0.42 -2.51 0.00 0.00 175.55 172.95 1bf9 s ILE 69 N -1.35 -0.15 0.88 -3.49 1.01 -0.83 -4.91 121.20 112.36 1bf9 s ILE 69 Ca -0.10 0.36 -0.13 0.00 0.00 0.00 0.00 60.65 60.78 1bf9 s ILE 69 Cb -0.00 -0.20 0.13 0.00 0.01 0.00 0.00 42.46 42.40 1bf9 s ILE 69 CO 0.08 0.15 1.22 0.00 0.00 0.00 0.00 174.94 176.39 1bf9 n PHE 71 N -3.56 -2.37 0.00 0.00 3.72 -0.37 -4.83 117.46 110.05 1bf9 n PHE 71 Ca 0.10 -2.34 0.00 0.00 -0.05 0.00 0.00 57.45 55.16 1bf9 n PHE 71 Cb 0.60 0.86 0.00 0.00 -0.94 0.00 0.00 39.48 40.01 1bf9 n PHE 71 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1bf9 n LEU 73 N 0.00 0.00 0.00 0.00 4.77 -1.26 -4.89 117.00 115.62 1bf9 n LEU 73 Ca 0.00 -1.83 0.02 0.00 -0.03 0.00 0.00 56.01 54.17 1bf9 n LEU 73 Cb 0.00 0.17 0.10 0.00 -2.33 0.00 0.00 43.42 41.36 1bf9 n LEU 73 CO 0.00 -0.30 0.54 -2.65 -1.33 0.00 0.00 177.39 173.65 1bf9 n PRO 74 N -0.84 0.03 -0.18 3.23 -0.02 -1.26 -1.48 135.00 134.48 1bf9 n PRO 74 Ca -0.10 0.35 0.08 0.00 -2.02 0.00 0.00 63.50 61.81 1bf9 n PRO 74 Cb 0.37 -1.50 0.24 0.00 -0.02 0.00 0.00 33.50 32.60 1bf9 n PRO 74 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1bf9 n ALA 75 N -1.41 2.45 -3.09 3.55 0.00 -1.26 -4.88 120.51 115.87 1bf9 n ALA 75 Ca 0.02 -0.73 -0.14 0.00 0.00 0.00 0.00 53.44 52.58 1bf9 n ALA 75 Cb 0.05 -0.99 -0.02 0.00 0.00 0.00 0.00 19.45 18.48 1bf9 n ALA 75 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1bf9 s PHE 76 N -1.51 0.90 -0.30 0.00 0.08 -0.55 -1.77 117.98 114.84 1bf9 s PHE 76 Ca 0.31 -1.22 -0.23 0.00 0.12 0.00 0.00 56.93 55.91 1bf9 s PHE 76 Cb 0.17 0.11 0.20 0.00 -0.57 0.00 0.00 43.02 42.92 1bf9 s PHE 76 CO 0.23 -1.25 1.41 -2.00 -0.10 0.00 0.00 175.22 173.50 1bf9 s GLU 77 N -2.80 0.05 0.00 0.44 -6.30 -1.24 -4.73 118.70 104.12 1bf9 s GLU 77 Ca 0.28 0.07 0.00 0.00 -2.50 0.00 0.00 54.97 52.81 1bf9 s GLU 77 Cb -0.02 0.02 0.00 0.00 0.00 0.00 0.00 34.13 34.14 1bf9 s GLU 77 CO 0.19 -0.01 0.00 0.41 0.02 0.00 0.00 175.26 175.88 1bf9 n GLY 78 N 1.92 2.72 0.32 -1.50 0.00 -1.26 -3.81 105.19 103.58 1bf9 n GLY 78 Ca -0.12 -1.89 0.16 0.00 0.00 0.00 0.00 46.02 44.17 1bf9 n GLY 78 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1bf9 h ARG 79 N 0.00 0.11 -0.02 1.61 3.08 -2.00 -1.09 114.38 116.07 1bf9 h ARG 79 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1bf9 h ARG 79 Cb 0.00 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.02 1bf9 h ARG 79 CO 0.00 0.07 0.00 0.09 -1.07 0.00 0.00 179.97 179.06 1bf9 n ASN 80 N -5.32 1.48 0.00 7.04 5.03 -1.26 -4.04 115.26 118.19 1bf9 n ASN 80 Ca 0.24 -1.38 0.00 0.00 0.87 0.00 0.00 54.58 54.30 1bf9 n ASN 80 Cb 0.78 -0.01 0.00 0.00 -1.02 0.00 0.00 39.78 39.53 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 0.70 0.00 -4.71 0.00 4.81 -1.86 -3.29 114.58 110.23 1bf9 h GLU 82 Ca 0.00 0.00 -0.70 0.00 -0.13 0.00 0.00 59.36 58.53 1bf9 h GLU 82 Cb 0.40 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.72 1bf9 h GLU 82 CO 0.00 0.00 2.74 2.41 -0.73 0.00 0.00 179.01 183.43 1bf9 n THR 83 N -2.65 3.67 -1.40 0.32 -1.04 -1.25 -4.92 114.28 107.01 1bf9 n THR 83 Ca -0.02 -3.48 -0.49 0.00 -2.04 0.00 0.00 64.05 58.02 1bf9 n THR 83 Cb 0.25 -2.50 -0.11 0.00 -1.82 0.00 0.00 70.33 66.15 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 6.92 1.04 0.00 -1.42 -0.00 -1.24 -3.71 115.22 116.82 1bf9 n HIS 84 Ca 0.50 0.48 0.00 0.00 0.46 0.00 0.00 57.72 59.17 1bf9 n HIS 84 Cb 0.42 -2.40 0.00 0.00 -0.12 0.00 0.00 29.99 27.89 1bf9 n HIS 84 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43