#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 -0.00 0.00 -3.46 1.47 -1.26 -4.89 116.67 108.52 1bf9 s ASP 46 Ca 0.00 -0.05 0.00 0.00 1.18 0.00 0.00 52.55 53.68 1bf9 s ASP 46 Cb 0.00 0.04 0.00 0.00 -0.34 0.00 0.00 42.92 42.62 1bf9 s ASP 46 CO 0.00 -0.08 0.00 0.61 0.68 0.00 0.00 175.17 176.38 1bf9 n GLY 47 N -0.87 1.11 0.00 2.12 0.00 -1.26 -4.88 105.19 101.41 1bf9 n GLY 47 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 0.39 -0.32 1.61 8.00 -1.26 -4.83 116.55 120.13 1bf9 n ASP 48 Ca 0.00 -1.01 0.17 0.00 0.71 0.00 0.00 54.79 54.65 1bf9 n ASP 48 Cb 0.00 0.00 0.34 0.00 -0.02 0.00 0.00 41.12 41.44 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 0.07 -1.89 -1.24 4.20 -1.94 0.52 115.11 114.83 1bf9 h GLN 49 Ca 0.00 -0.00 -0.21 0.00 0.06 0.00 0.00 58.65 58.49 1bf9 h GLN 49 Cb 0.33 -0.02 -0.08 0.00 0.30 0.00 0.00 27.48 28.02 1bf9 h GLN 49 CO 0.00 0.05 0.05 0.00 -0.67 0.00 0.00 178.83 178.26 1bf9 h ALA 51 N 2.02 0.00 -0.77 0.00 0.00 -0.34 -3.36 119.26 116.81 1bf9 h ALA 51 Ca 0.19 -0.02 -0.37 0.00 0.00 0.00 0.00 54.91 54.71 1bf9 h ALA 51 Cb 1.08 0.02 -0.22 0.00 0.00 0.00 0.00 17.79 18.67 1bf9 h ALA 51 CO 0.39 0.02 0.46 0.45 0.00 0.00 0.00 179.25 180.57 1bf9 n SER 52 N -4.13 3.78 -3.01 0.00 2.88 -1.26 -4.93 113.62 106.96 1bf9 n SER 52 Ca -0.00 -3.24 -0.11 0.00 -1.33 0.00 0.00 58.87 54.19 1bf9 n SER 52 Cb 0.01 -0.76 0.01 0.00 -0.75 0.00 0.00 64.21 62.72 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 -0.66 -7.51 0.00 -3.46 7.64 -1.26 -4.82 113.62 103.55 1bf9 n SER 53 Ca 0.45 0.27 0.10 0.00 1.01 0.00 0.00 58.87 60.71 1bf9 n SER 53 Cb 1.40 -4.78 0.55 0.00 -1.01 0.00 0.00 64.21 60.38 1bf9 n SER 53 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1bf9 n PRO 54 N -0.66 0.51 -3.67 1.43 -0.04 -1.26 -4.76 135.00 126.55 1bf9 n PRO 54 Ca 0.05 0.04 -0.21 0.00 -0.04 0.00 0.00 63.50 63.34 1bf9 n PRO 54 Cb 0.51 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.45 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 -1.58 0.43 -3.76 0.00 6.02 -1.19 -4.80 117.38 112.51 1bf9 n GLN 56 Ca -0.05 -3.43 -0.27 0.00 -0.01 0.00 0.00 57.00 53.24 1bf9 n GLN 56 Cb 0.57 2.76 0.05 0.00 1.02 0.00 0.00 30.24 34.64 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 -5.59 -2.10 1.08 3.02 -1.26 -0.82 115.26 107.96 1bf9 n ASN 57 Ca 0.07 -0.66 -0.19 0.00 -0.03 0.00 0.00 54.58 53.77 1bf9 n ASN 57 Cb 0.62 -4.42 -0.02 0.00 -0.61 0.00 0.00 39.78 35.35 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 -1.84 -0.04 3.82 7.41 0.00 -1.26 -4.69 105.19 108.59 1bf9 n GLY 58 Ca 0.03 -0.07 -0.37 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 -2.24 2.62 0.84 -0.02 0.00 -0.00 -4.80 107.32 103.73 1bf9 s GLY 59 Ca 0.00 0.06 -0.13 0.00 0.00 0.00 0.00 44.72 44.65 1bf9 s GLY 59 CO 0.00 0.43 1.21 -0.56 0.00 0.00 0.00 173.10 174.17 1bf9 s SER 60 N -1.45 4.18 -0.20 1.64 0.01 -1.10 -4.45 113.70 112.33 1bf9 s SER 60 Ca 0.36 0.69 0.02 0.00 1.31 0.00 0.00 55.95 58.33 1bf9 s SER 60 Cb -0.18 -1.10 0.03 0.00 0.21 0.00 0.00 66.02 64.99 1bf9 s SER 60 CO 0.20 -2.10 -0.17 0.00 0.41 0.00 0.00 173.24 171.58 1bf9 s LYS 62 N 1.24 3.29 -0.34 0.00 2.20 -0.43 -4.94 119.74 120.77 1bf9 s LYS 62 Ca 0.01 -0.45 -0.06 0.00 -0.36 0.00 0.00 55.97 55.11 1bf9 s LYS 62 Cb -0.15 -2.98 0.05 0.00 -1.51 0.00 0.00 37.83 33.24 1bf9 s LYS 62 CO -0.11 0.63 0.11 0.16 -0.36 0.00 0.00 175.35 175.78 1bf9 s ASP 63 N -2.20 5.28 0.56 1.43 -4.77 -1.26 -1.54 116.67 114.17 1bf9 s ASP 63 Ca 0.30 -1.22 0.08 0.00 -3.30 0.00 0.00 52.55 48.41 1bf9 s ASP 63 Cb -0.13 -1.85 0.07 0.00 -1.09 0.00 0.00 42.92 39.92 1bf9 s ASP 63 CO 0.22 -0.34 0.67 -1.10 0.70 0.00 0.00 175.17 175.32 1bf9 s GLN 64 N 1.37 2.31 0.43 2.11 -0.21 -0.05 -4.95 119.66 120.68 1bf9 s GLN 64 Ca -0.01 -1.73 0.24 0.00 0.02 0.00 0.00 55.36 53.87 1bf9 s GLN 64 Cb -0.20 -2.50 0.50 0.00 1.00 0.00 0.00 33.01 31.81 1bf9 s GLN 64 CO 0.02 -0.77 1.66 1.25 -2.12 0.00 0.00 175.29 175.33 1bf9 h LEU 65 N 0.36 0.00 0.00 2.90 6.46 -2.00 -3.22 115.31 119.80 1bf9 h LEU 65 Ca -0.32 0.00 -0.26 0.00 -0.12 0.00 0.00 57.88 57.17 1bf9 h LEU 65 Cb 1.29 0.00 -0.05 0.00 -0.73 0.00 0.00 40.66 41.17 1bf9 h LEU 65 CO 0.46 0.09 -1.79 0.00 -0.62 0.00 0.00 178.44 176.57 1bf9 n GLN 66 N -3.13 0.64 0.00 1.25 6.02 -1.26 -5.00 117.38 115.89 1bf9 n GLN 66 Ca 0.03 0.19 0.00 0.00 -0.01 0.00 0.00 57.00 57.21 1bf9 n GLN 66 Cb 0.52 -1.73 0.00 0.00 1.02 0.00 0.00 30.24 30.05 1bf9 n GLN 66 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1bf9 n SER 67 N -2.91 0.00 -3.59 1.08 2.88 -1.22 -5.07 113.62 104.80 1bf9 n SER 67 Ca -0.18 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.21 1bf9 n SER 67 Cb 1.00 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 64.40 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 0.00 -0.68 -0.11 0.66 1.13 -1.26 -0.87 117.35 116.22 1bf9 s TYR 68 Ca 0.00 1.46 0.00 0.00 -1.41 0.00 0.00 57.07 57.12 1bf9 s TYR 68 Cb 0.00 0.34 0.02 0.00 -1.10 0.00 0.00 41.96 41.23 1bf9 s TYR 68 CO 0.00 -0.45 -0.09 -1.50 -2.51 0.00 0.00 175.55 171.00 1bf9 s ILE 69 N -0.33 1.10 0.16 -3.49 2.07 -0.59 -4.90 121.20 115.22 1bf9 s ILE 69 Ca -0.04 -0.35 -0.30 0.00 -1.41 0.00 0.00 60.65 58.55 1bf9 s ILE 69 Cb -0.03 -1.09 -0.07 0.00 0.13 0.00 0.00 42.46 41.40 1bf9 s ILE 69 CO 0.04 0.38 0.96 0.00 -1.91 0.00 0.00 174.94 174.41 1bf9 s PHE 71 N -0.42 3.64 0.00 0.00 0.40 -0.53 -4.81 117.98 116.25 1bf9 s PHE 71 Ca 0.45 -2.14 0.00 0.00 -0.60 0.00 0.00 56.93 54.64 1bf9 s PHE 71 Cb -0.25 -4.17 0.00 0.00 0.51 0.00 0.00 43.02 39.11 1bf9 s PHE 71 CO 0.31 -1.28 0.00 0.00 0.70 0.00 0.00 175.22 174.95 1bf9 n LEU 73 N 0.00 0.00 0.03 0.00 4.32 -1.26 -4.81 117.00 115.28 1bf9 n LEU 73 Ca 0.00 -2.20 0.03 0.00 -0.02 0.00 0.00 56.01 53.82 1bf9 n LEU 73 Cb 0.00 0.16 0.17 0.00 -1.62 0.00 0.00 43.42 42.12 1bf9 n LEU 73 CO 0.00 -0.38 0.61 -2.65 -1.22 0.00 0.00 177.39 173.75 1bf9 n PRO 74 N -1.08 0.03 0.04 3.23 -0.02 -1.26 -1.54 135.00 134.40 1bf9 n PRO 74 Ca -0.11 0.48 -0.10 0.00 -2.02 0.00 0.00 63.50 61.75 1bf9 n PRO 74 Cb 0.46 -1.59 -0.13 0.00 -0.02 0.00 0.00 33.50 32.21 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 0.44 -1.24 3.55 0.00 -1.98 -3.47 119.26 118.64 1bf9 h ALA 75 Ca 0.00 -1.12 -0.62 0.00 0.00 0.00 0.00 54.91 53.16 1bf9 h ALA 75 Cb 0.06 0.15 -0.11 0.00 0.00 0.00 0.00 17.79 17.88 1bf9 h ALA 75 CO 0.00 1.31 -0.53 -0.06 0.00 0.00 0.00 179.25 179.96 1bf9 s PHE 76 N -2.65 2.32 0.00 0.00 0.40 -0.59 -1.09 117.98 116.37 1bf9 s PHE 76 Ca -0.04 -0.73 0.00 0.00 -0.60 0.00 0.00 56.93 55.56 1bf9 s PHE 76 Cb 0.08 -1.79 0.00 0.00 0.51 0.00 0.00 43.02 41.83 1bf9 s PHE 76 CO 0.83 0.27 0.57 -1.91 0.70 0.00 0.00 175.22 175.68 1bf9 n GLU 77 N -1.16 0.00 -3.24 0.44 0.00 -1.15 -4.41 120.64 111.12 1bf9 n GLU 77 Ca -0.07 -0.14 -0.18 0.00 0.00 0.00 0.00 57.16 56.76 1bf9 n GLU 77 Cb 0.66 0.01 -0.01 0.00 0.00 0.00 0.00 31.44 32.10 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 -0.14 2.00 0.15 8.31 0.00 -1.26 -4.86 107.32 111.51 1bf9 s GLY 78 Ca 0.00 -1.74 -0.23 0.00 0.00 0.00 0.00 44.72 42.76 1bf9 s GLY 78 CO -0.00 -1.56 1.63 3.21 0.00 0.00 0.00 173.10 176.38 1bf9 h ARG 79 N 0.80 -0.24 -0.90 2.90 2.47 -1.98 -1.75 114.38 115.68 1bf9 h ARG 79 Ca -0.41 0.02 -0.54 0.00 -1.26 0.00 0.00 59.98 57.79 1bf9 h ARG 79 Cb 1.27 0.05 -0.28 0.00 -1.65 0.00 0.00 29.97 29.36 1bf9 h ARG 79 CO 0.50 -0.16 0.54 0.09 0.56 0.00 0.00 179.97 181.50 1bf9 n ASN 80 N -5.37 5.18 -0.79 7.04 5.03 -1.26 -3.42 115.26 121.67 1bf9 n ASN 80 Ca -0.01 -3.71 -0.10 0.00 0.87 0.00 0.00 54.58 51.62 1bf9 n ASN 80 Cb 0.28 -0.83 -0.04 0.00 -1.02 0.00 0.00 39.78 38.17 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 -3.27 0.00 4.81 -1.89 -3.37 114.58 110.87 1bf9 h GLU 82 Ca -0.21 0.00 -0.72 0.00 -0.13 0.00 0.00 59.36 58.31 1bf9 h GLU 82 Cb 1.12 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.44 1bf9 h GLU 82 CO 0.30 0.00 2.96 2.41 -0.73 0.00 0.00 179.01 183.95 1bf9 n THR 83 N -2.34 4.33 -1.45 0.32 -1.04 -1.26 -4.93 114.28 107.90 1bf9 n THR 83 Ca 0.05 -3.48 -0.46 0.00 -2.04 0.00 0.00 64.05 58.12 1bf9 n THR 83 Cb 0.40 -2.44 -0.09 0.00 -1.82 0.00 0.00 70.33 66.38 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 3.84 1.23 0.00 -1.42 -0.00 -1.26 -2.95 115.22 114.66 1bf9 n HIS 84 Ca 0.60 0.34 0.00 0.00 -0.00 0.00 0.00 57.72 58.66 1bf9 n HIS 84 Cb 0.30 -2.48 0.00 0.00 -0.00 0.00 0.00 29.99 27.81 1bf9 n HIS 84 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97