#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 3.62 0.00 -3.46 1.47 -1.26 -4.97 116.67 112.08 1bf9 s ASP 46 Ca 0.00 -2.13 0.00 0.00 1.18 0.00 0.00 52.55 51.60 1bf9 s ASP 46 Cb 0.00 -0.80 0.00 0.00 -0.34 0.00 0.00 42.92 41.78 1bf9 s ASP 46 CO 0.00 -0.34 0.00 0.61 0.68 0.00 0.00 175.17 176.12 1bf9 n GLY 47 N 4.18 0.15 0.00 2.12 0.00 -1.26 -4.99 105.19 105.39 1bf9 n GLY 47 Ca 0.05 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.31 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 0.08 1.61 9.92 -1.26 -4.79 116.55 122.12 1bf9 n ASP 48 Ca 0.00 0.02 0.00 0.00 -0.53 0.00 0.00 54.79 54.28 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 -0.02 0.00 0.00 -1.24 6.02 -1.26 -4.77 117.38 116.11 1bf9 n GLN 49 Ca 0.00 0.00 0.07 0.00 -0.01 0.00 0.00 57.00 57.06 1bf9 n GLN 49 Cb 0.00 -0.27 0.44 0.00 1.02 0.00 0.00 30.24 31.43 1bf9 n GLN 49 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1bf9 n ALA 51 N -0.73 3.66 0.00 0.00 0.00 -1.26 -4.00 120.51 118.17 1bf9 n ALA 51 Ca 0.11 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.18 1bf9 n ALA 51 Cb 0.05 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.41 1bf9 n ALA 51 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1bf9 n SER 52 N -1.50 0.68 -3.33 0.00 2.88 -1.17 -4.91 113.62 106.26 1bf9 n SER 52 Ca 0.05 -0.84 -0.17 0.00 -1.33 0.00 0.00 58.87 56.58 1bf9 n SER 52 Cb 0.34 0.33 0.06 0.00 -0.75 0.00 0.00 64.21 64.18 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 -0.33 -6.47 0.07 -3.46 2.88 -1.24 -4.84 113.62 100.23 1bf9 n SER 53 Ca 0.00 -0.72 0.08 0.00 -1.33 0.00 0.00 58.87 56.90 1bf9 n SER 53 Cb 0.00 -4.80 0.35 0.00 -0.75 0.00 0.00 64.21 59.01 1bf9 n SER 53 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1bf9 n PRO 54 N -3.29 0.08 -1.68 -1.46 -0.04 -1.26 -4.73 135.00 122.63 1bf9 n PRO 54 Ca -0.07 0.41 -0.29 0.00 -0.04 0.00 0.00 63.50 63.51 1bf9 n PRO 54 Cb 0.60 -1.69 0.15 0.00 -0.04 0.00 0.00 33.50 32.52 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 -3.77 0.31 -4.12 0.00 6.02 -0.96 -4.84 117.38 110.01 1bf9 n GLN 56 Ca 0.10 -1.51 -0.34 0.00 -0.01 0.00 0.00 57.00 55.24 1bf9 n GLN 56 Cb 0.60 1.37 -0.01 0.00 1.02 0.00 0.00 30.24 33.22 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 -2.04 -3.58 -3.49 1.08 4.13 -1.26 -1.27 115.26 108.84 1bf9 n ASN 57 Ca 0.02 -0.94 -0.20 0.00 1.68 0.00 0.00 54.58 55.13 1bf9 n ASN 57 Cb 0.30 -3.11 0.06 0.00 -1.54 0.00 0.00 39.78 35.49 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 -1.52 -0.73 3.63 7.41 0.00 -1.26 -4.68 105.19 108.05 1bf9 n GLY 58 Ca 0.04 0.34 -0.26 0.00 0.00 0.00 0.00 46.02 46.14 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 -3.87 1.71 0.39 -0.02 0.00 -0.39 -4.61 107.32 100.52 1bf9 s GLY 59 Ca 0.24 -1.44 -0.15 0.00 0.00 0.00 0.00 44.72 43.37 1bf9 s GLY 59 CO 0.78 -1.47 0.82 -0.45 0.00 0.00 0.00 173.10 172.78 1bf9 s SER 60 N -3.02 6.73 -0.16 1.64 0.15 -1.26 -4.65 113.70 113.13 1bf9 s SER 60 Ca 0.27 1.37 -0.04 0.00 0.70 0.00 0.00 55.95 58.25 1bf9 s SER 60 Cb -0.09 -2.41 -0.03 0.00 -1.71 0.00 0.00 66.02 61.78 1bf9 s SER 60 CO 0.18 -0.33 -0.03 0.00 1.20 0.00 0.00 173.24 174.26 1bf9 s LYS 62 N 0.36 3.42 -0.27 0.00 2.20 0.19 -4.92 119.74 120.72 1bf9 s LYS 62 Ca -0.03 -0.19 -0.07 0.00 -0.36 0.00 0.00 55.97 55.32 1bf9 s LYS 62 Cb -0.14 -3.15 -0.01 0.00 -1.51 0.00 0.00 37.83 33.02 1bf9 s LYS 62 CO 0.03 0.75 0.07 0.16 -0.36 0.00 0.00 175.35 176.00 1bf9 s ASP 63 N -1.24 5.11 0.09 1.43 -4.77 -1.26 -1.87 116.67 114.16 1bf9 s ASP 63 Ca 0.18 -0.41 0.01 0.00 -3.30 0.00 0.00 52.55 49.03 1bf9 s ASP 63 Cb -0.12 -1.91 -0.04 0.00 -1.09 0.00 0.00 42.92 39.76 1bf9 s ASP 63 CO 0.07 -0.10 -0.06 -1.10 0.70 0.00 0.00 175.17 174.68 1bf9 s GLN 64 N 1.57 0.79 0.00 2.11 -0.21 0.58 -4.99 119.66 119.51 1bf9 s GLN 64 Ca 0.05 -1.29 0.00 0.00 0.02 0.00 0.00 55.36 54.14 1bf9 s GLN 64 Cb -0.16 -0.14 0.00 0.00 1.00 0.00 0.00 33.01 33.71 1bf9 s GLN 64 CO 0.03 -0.03 0.40 -0.11 -2.12 0.00 0.00 175.29 173.46 1bf9 n LEU 65 N 0.05 0.00 -0.54 2.90 7.94 -1.26 -1.91 117.00 124.18 1bf9 n LEU 65 Ca -0.13 0.40 0.41 0.00 -1.11 0.00 0.00 56.01 55.58 1bf9 n LEU 65 Cb 0.61 0.00 0.64 0.00 0.53 0.00 0.00 43.42 45.20 1bf9 n LEU 65 CO 0.29 0.00 1.16 0.00 -1.11 0.00 0.00 177.39 177.74 1bf9 n GLN 66 N -0.58 -0.01 -1.20 1.96 10.64 -1.26 -4.77 117.38 122.16 1bf9 n GLN 66 Ca 0.00 0.91 0.00 0.00 -1.83 0.00 0.00 57.00 56.08 1bf9 n GLN 66 Cb 0.00 -2.03 0.00 0.00 -0.86 0.00 0.00 30.24 27.35 1bf9 n GLN 66 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 1bf9 n SER 67 N -3.74 0.00 -4.23 2.61 7.64 -0.80 -5.16 113.62 109.93 1bf9 n SER 67 Ca 0.36 0.00 -0.18 0.00 1.01 0.00 0.00 58.87 60.05 1bf9 n SER 67 Cb 1.56 0.00 -0.11 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 -3.66 1.40 -0.03 1.43 -0.85 -1.26 -0.31 117.35 114.07 1bf9 s TYR 68 Ca 0.00 -0.53 0.00 0.00 -0.52 0.00 0.00 57.07 56.02 1bf9 s TYR 68 Cb 0.00 -0.74 0.03 0.00 0.38 0.00 0.00 41.96 41.63 1bf9 s TYR 68 CO 0.00 0.14 0.01 0.42 -1.52 0.00 0.00 175.55 174.59 1bf9 s ILE 69 N -1.96 0.14 0.47 -3.49 1.01 -0.78 -4.90 121.20 111.68 1bf9 s ILE 69 Ca 0.07 0.12 -0.02 0.00 0.00 0.00 0.00 60.65 60.82 1bf9 s ILE 69 Cb -0.06 -0.25 -0.01 0.00 0.01 0.00 0.00 42.46 42.15 1bf9 s ILE 69 CO 0.03 0.14 0.73 0.00 0.00 0.00 0.00 174.94 175.84 1bf9 n PHE 71 N -2.18 0.00 -0.28 0.00 3.01 -0.92 -4.84 117.46 112.25 1bf9 n PHE 71 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.47 1bf9 n PHE 71 Cb 0.57 -0.04 0.00 0.00 -0.01 0.00 0.00 39.48 40.00 1bf9 n PHE 71 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1bf9 n LEU 73 N 0.00 0.00 0.00 0.00 4.77 -1.26 -4.73 117.00 115.78 1bf9 n LEU 73 Ca 0.00 -2.21 0.04 0.00 -0.03 0.00 0.00 56.01 53.80 1bf9 n LEU 73 Cb 0.00 -0.10 0.18 0.00 -2.33 0.00 0.00 43.42 41.17 1bf9 n LEU 73 CO 0.00 -0.55 0.58 -2.65 -1.33 0.00 0.00 177.39 173.44 1bf9 n PRO 74 N -1.63 0.06 0.00 3.23 -0.02 -1.26 -1.65 135.00 133.73 1bf9 n PRO 74 Ca 0.02 0.29 0.14 0.00 -2.02 0.00 0.00 63.50 61.92 1bf9 n PRO 74 Cb 0.49 -1.50 0.52 0.00 -0.02 0.00 0.00 33.50 32.99 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 -1.39 2.71 -2.80 3.55 0.00 -1.26 -4.85 120.51 116.47 1bf9 n ALA 75 Ca 0.03 -0.41 -0.16 0.00 0.00 0.00 0.00 53.44 52.90 1bf9 n ALA 75 Cb 0.07 -1.19 -0.04 0.00 0.00 0.00 0.00 19.45 18.29 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 -2.15 1.22 -0.29 0.00 0.40 -0.66 -0.30 117.98 116.21 1bf9 s PHE 76 Ca 0.35 -1.39 -0.32 0.00 -0.60 0.00 0.00 56.93 54.96 1bf9 s PHE 76 Cb 0.21 -0.19 0.18 0.00 0.51 0.00 0.00 43.02 43.73 1bf9 s PHE 76 CO 0.39 -1.13 1.37 -1.83 0.70 0.00 0.00 175.22 174.72 1bf9 s GLU 77 N -3.00 0.05 0.00 0.44 4.04 -1.25 -4.67 118.70 114.32 1bf9 s GLU 77 Ca 0.32 0.00 0.00 0.00 0.04 0.00 0.00 54.97 55.33 1bf9 s GLU 77 Cb -0.00 0.02 0.00 0.00 0.02 0.00 0.00 34.13 34.17 1bf9 s GLU 77 CO 0.23 -0.02 0.00 0.41 -1.84 0.00 0.00 175.26 174.04 1bf9 n GLY 78 N 0.35 2.78 0.32 -3.83 0.00 -1.26 -3.54 105.19 100.00 1bf9 n GLY 78 Ca 0.02 -2.04 0.11 0.00 0.00 0.00 0.00 46.02 44.10 1bf9 n GLY 78 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1bf9 h ARG 79 N 0.00 0.06 -0.10 1.61 2.43 -1.95 -0.43 114.38 115.99 1bf9 h ARG 79 Ca 0.00 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1bf9 h ARG 79 Cb 0.00 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 1bf9 h ARG 79 CO 0.00 0.04 0.00 0.09 -1.51 0.00 0.00 179.97 178.59 1bf9 n ASN 80 N -5.43 2.01 0.00 -3.80 5.03 -1.26 -2.18 115.26 109.63 1bf9 n ASN 80 Ca 0.19 -1.61 0.00 0.00 0.87 0.00 0.00 54.58 54.03 1bf9 n ASN 80 Cb 0.64 -0.06 0.00 0.00 -1.02 0.00 0.00 39.78 39.34 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 0.56 0.00 -2.78 0.00 4.81 -1.86 -3.06 114.58 112.26 1bf9 h GLU 82 Ca 0.00 0.00 -0.72 0.00 -0.13 0.00 0.00 59.36 58.51 1bf9 h GLU 82 Cb 0.43 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.74 1bf9 h GLU 82 CO 0.00 0.00 2.88 2.41 -0.73 0.00 0.00 179.01 183.57 1bf9 n THR 83 N -2.48 4.91 -1.68 0.32 -1.04 -1.23 -4.96 114.28 108.11 1bf9 n THR 83 Ca -0.02 -3.75 -0.61 0.00 -2.04 0.00 0.00 64.05 57.63 1bf9 n THR 83 Cb 0.20 -2.26 -0.08 0.00 -1.82 0.00 0.00 70.33 66.36 1bf9 n THR 83 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1bf9 n HIS 84 N 2.43 1.89 0.00 -1.42 1.44 -1.16 -3.81 115.22 114.59 1bf9 n HIS 84 Ca 0.67 0.73 0.00 0.00 -2.01 0.00 0.00 57.72 57.11 1bf9 n HIS 84 Cb 0.25 -2.38 0.00 0.00 0.12 0.00 0.00 29.99 27.97 1bf9 n HIS 84 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16