#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1apo n ASP 46 N 0.00 4.75 0.00 4.39 8.00 -1.26 -5.03 116.55 127.40 1apo n ASP 46 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1apo n ASP 46 Cb 0.00 0.59 0.00 0.00 -0.02 0.00 0.00 41.12 41.69 1apo n ASP 46 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1apo n GLY 47 N 2.75 -0.62 2.74 0.44 0.00 -1.26 -5.02 105.19 104.22 1apo n GLY 47 Ca 0.00 0.86 -0.37 0.00 0.00 0.00 0.00 46.02 46.51 1apo n GLY 47 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1apo n ASP 48 N 0.00 7.30 0.09 1.61 8.00 -1.26 -4.59 116.55 127.70 1apo n ASP 48 Ca 0.00 -3.62 0.01 0.00 0.71 0.00 0.00 54.79 51.89 1apo n ASP 48 Cb 0.00 -1.15 -0.03 0.00 -0.02 0.00 0.00 41.12 39.92 1apo n ASP 48 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 1apo h GLN 49 N 3.34 0.00 0.00 -1.24 7.50 -1.94 -3.38 115.11 119.39 1apo h GLN 49 Ca 0.53 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.68 1apo h GLN 49 Cb 0.25 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.78 1apo h GLN 49 CO 1.27 0.45 -0.41 0.00 -1.50 0.00 0.00 178.83 178.63 1apo n GLU 51 N 0.00 0.90 -0.23 0.00 2.13 -1.26 -3.06 120.64 119.13 1apo n GLU 51 Ca 0.00 -0.15 0.05 0.00 0.66 0.00 0.00 57.16 57.72 1apo n GLU 51 Cb 0.67 -1.50 0.07 0.00 0.27 0.00 0.00 31.44 30.94 1apo n GLU 51 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1apo n GLY 52 N 1.12 2.54 2.92 8.31 0.00 -1.26 -5.06 105.19 113.76 1apo n GLY 52 Ca 0.20 -0.54 -0.00 0.00 0.00 0.00 0.00 46.02 45.68 1apo n GLY 52 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1apo n HIS 53 N -0.71 -2.29 -0.06 1.61 -0.00 -1.17 -4.93 115.22 107.66 1apo n HIS 53 Ca 0.08 1.03 -0.02 0.00 0.46 0.00 0.00 57.72 59.26 1apo n HIS 53 Cb 0.63 -2.71 -0.16 0.00 -0.12 0.00 0.00 29.99 27.63 1apo n HIS 53 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 1apo n PRO 54 N 1.00 0.67 -2.66 1.57 -0.04 -1.26 -4.92 135.00 129.36 1apo n PRO 54 Ca -0.01 -0.04 -0.39 0.00 -0.04 0.00 0.00 63.50 63.02 1apo n PRO 54 Cb 0.22 -1.55 -0.05 0.00 -0.04 0.00 0.00 33.50 32.08 1apo n PRO 54 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1apo s LEU 56 N -1.54 2.89 -1.28 0.00 1.43 -0.34 -4.02 118.68 115.83 1apo s LEU 56 Ca 0.45 -0.14 -0.21 0.00 -1.03 0.00 0.00 54.13 53.20 1apo s LEU 56 Cb -0.26 -2.13 0.02 0.00 0.03 0.00 0.00 46.19 43.85 1apo s LEU 56 CO 0.33 -2.10 0.56 -0.46 0.23 0.00 0.00 176.35 174.90 1apo n ASN 57 N -3.11 -3.01 -2.36 2.29 0.23 -1.26 0.37 115.26 108.42 1apo n ASN 57 Ca 0.15 -1.19 -0.10 0.00 -0.53 0.00 0.00 54.58 52.90 1apo n ASN 57 Cb 0.60 -2.25 -0.01 0.00 -2.08 0.00 0.00 39.78 36.05 1apo n ASN 57 CO 0.00 0.00 0.00 1.67 -0.93 0.00 0.00 177.26 178.00 1apo n GLN 58 N -4.69 -2.27 -0.67 -3.83 7.27 -1.26 -4.84 117.38 107.09 1apo n GLN 58 Ca -0.17 0.51 -0.19 0.00 0.07 0.00 0.00 57.00 57.21 1apo n GLN 58 Cb 0.61 -5.06 0.16 0.00 2.41 0.00 0.00 30.24 28.37 1apo n GLN 58 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1apo n GLY 59 N -0.71 -2.66 3.64 1.69 0.00 0.16 -4.85 105.19 102.46 1apo n GLY 59 Ca -0.12 -1.48 -0.31 0.00 0.00 0.00 0.00 46.02 44.11 1apo n GLY 59 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1apo s HIS 60 N -2.28 2.94 -0.24 1.61 2.46 -0.46 -4.87 115.29 114.44 1apo s HIS 60 Ca 0.46 -0.03 -0.00 0.00 0.47 0.00 0.00 55.06 55.96 1apo s HIS 60 Cb -0.04 -1.57 0.07 0.00 -0.13 0.00 0.00 32.58 30.90 1apo s HIS 60 CO 0.35 0.43 -0.00 0.00 -2.47 0.00 0.00 174.74 173.05 1apo s LYS 62 N 1.50 4.12 0.49 0.00 2.47 -0.53 -4.86 119.74 122.93 1apo s LYS 62 Ca -0.01 0.37 -0.18 0.00 -1.56 0.00 0.00 55.97 54.59 1apo s LYS 62 Cb -0.18 -3.61 -0.09 0.00 -1.46 0.00 0.00 37.83 32.49 1apo s LYS 62 CO -0.10 -0.27 0.97 0.34 0.16 0.00 0.00 175.35 176.46 1apo s ASP 63 N 1.37 6.72 0.00 1.43 2.15 -1.26 -1.13 116.67 125.95 1apo s ASP 63 Ca 0.23 1.61 0.00 0.00 0.43 0.00 0.00 52.55 54.81 1apo s ASP 63 Cb -0.15 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 39.95 1apo s ASP 63 CO 0.09 -0.52 0.00 0.61 -0.17 0.00 0.00 175.17 175.18 1apo n GLY 64 N -1.30 -2.05 3.51 2.66 0.00 -1.26 -4.95 105.19 101.79 1apo n GLY 64 Ca 0.07 0.79 -0.29 0.00 0.00 0.00 0.00 46.02 46.58 1apo n GLY 64 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1apo s ILE 65 N 0.27 1.73 0.64 -0.61 1.01 -1.26 -4.80 121.20 118.17 1apo s ILE 65 Ca 0.00 0.00 0.29 0.00 0.00 0.00 0.00 60.65 60.94 1apo s ILE 65 Cb 0.00 -2.26 0.32 0.00 0.01 0.00 0.00 42.46 40.53 1apo s ILE 65 CO 0.00 0.00 1.90 1.23 0.00 0.00 0.00 174.94 178.07 1apo h GLY 66 N -2.65 0.00 -5.56 6.18 0.00 -2.01 -3.35 103.07 95.68 1apo h GLY 66 Ca -0.53 0.00 -0.66 0.00 0.00 0.00 0.00 47.33 46.15 1apo h GLY 66 CO 0.44 0.00 -0.63 0.99 0.00 0.00 0.00 176.54 177.34 1apo s ASP 67 N -4.74 5.15 0.62 0.19 1.01 -1.26 -4.75 116.67 112.89 1apo s ASP 67 Ca -0.04 0.05 0.00 0.00 0.71 0.00 0.00 52.55 53.27 1apo s ASP 67 Cb 0.11 -1.62 0.00 0.00 1.01 0.00 0.00 42.92 42.42 1apo s ASP 67 CO 0.38 0.29 0.00 0.00 0.21 0.00 0.00 175.17 176.04 1apo n TYR 68 N 2.75 -2.37 -4.12 4.23 4.11 -1.26 -4.48 117.16 116.02 1apo n TYR 68 Ca -0.18 0.00 -0.18 0.00 -0.00 0.00 0.00 57.90 57.54 1apo n TYR 68 Cb 0.53 0.00 -0.16 0.00 -0.00 0.00 0.00 39.34 39.72 1apo n TYR 68 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.86 177.81 1apo s THR 69 N -0.62 0.42 -0.42 -3.48 -4.23 -0.28 -4.95 115.64 102.07 1apo s THR 69 Ca 0.00 -0.13 -0.21 0.00 -1.18 0.00 0.00 61.69 60.17 1apo s THR 69 Cb 0.00 -0.42 0.02 0.00 1.34 0.00 0.00 72.50 73.44 1apo s THR 69 CO 0.00 0.17 0.67 0.00 -0.54 0.00 0.00 174.62 174.92 1apo s THR 71 N 2.89 5.20 0.41 0.00 2.01 -0.11 -4.93 115.64 121.11 1apo s THR 71 Ca 0.24 0.41 -0.07 0.00 0.31 0.00 0.00 61.69 62.59 1apo s THR 71 Cb -0.14 -3.68 -0.05 0.00 0.01 0.00 0.00 72.50 68.64 1apo s THR 71 CO 0.19 0.14 0.72 0.00 -0.69 0.00 0.00 174.62 174.98 1apo s ALA 73 N -2.44 2.24 0.27 0.00 0.00 -1.26 -4.86 121.76 115.70 1apo s ALA 73 Ca 0.48 -1.06 -0.31 0.00 0.00 0.00 0.00 51.96 51.07 1apo s ALA 73 Cb -0.10 -2.83 -0.12 0.00 0.00 0.00 0.00 23.12 20.07 1apo s ALA 73 CO 0.36 -2.32 1.60 -1.91 0.00 0.00 0.00 175.76 173.49 1apo n GLU 74 N -3.72 2.63 -1.48 0.00 2.13 -1.26 -1.50 120.64 117.44 1apo n GLU 74 Ca 0.13 0.94 -0.00 0.00 0.66 0.00 0.00 57.16 58.89 1apo n GLU 74 Cb 0.60 -2.72 -0.00 0.00 0.27 0.00 0.00 31.44 29.59 1apo n GLU 74 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1apo n GLY 75 N 2.52 0.38 2.95 8.31 0.00 -1.26 -5.04 105.19 113.05 1apo n GLY 75 Ca 0.10 -0.98 -0.12 0.00 0.00 0.00 0.00 46.02 45.02 1apo n GLY 75 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1apo s PHE 76 N -2.02 -0.05 0.09 1.61 0.08 -0.56 -3.09 117.98 114.03 1apo s PHE 76 Ca 0.00 0.14 0.01 0.00 0.12 0.00 0.00 56.93 57.19 1apo s PHE 76 Cb 0.00 0.01 -0.00 0.00 -0.57 0.00 0.00 43.02 42.46 1apo s PHE 76 CO 0.00 -0.06 0.10 0.39 -0.10 0.00 0.00 175.22 175.55 1apo n GLU 77 N 2.90 0.14 0.00 0.44 -0.58 -1.13 -4.52 120.64 117.89 1apo n GLU 77 Ca -0.13 -0.76 0.00 0.00 -0.42 0.00 0.00 57.16 55.84 1apo n GLU 77 Cb 0.59 0.68 0.00 0.00 -0.57 0.00 0.00 31.44 32.14 1apo n GLU 77 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1apo n GLY 78 N -0.15 -0.52 0.13 0.62 0.00 -1.26 -1.12 105.19 102.89 1apo n GLY 78 Ca 0.01 -1.74 -0.11 0.00 0.00 0.00 0.00 46.02 44.18 1apo n GLY 78 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1apo h LYS 79 N 0.00 0.34 0.00 1.61 1.63 -2.00 -1.55 116.57 116.60 1apo h LYS 79 Ca 0.00 -0.09 0.00 0.00 -0.85 0.00 0.00 60.65 59.71 1apo h LYS 79 Cb 0.00 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 31.59 1apo h LYS 79 CO 0.00 0.48 0.00 -0.91 -3.45 0.00 0.00 179.45 175.57 1apo h ASN 80 N 0.15 0.00 0.00 4.20 4.21 -1.91 -3.43 115.58 118.80 1apo h ASN 80 Ca 0.06 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.57 1apo h ASN 80 Cb 0.29 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.49 1apo h ASN 80 CO 0.00 0.00 0.00 0.00 -1.29 0.00 0.00 177.43 176.14 1apo h GLU 82 N 0.26 0.00 -7.42 0.00 4.11 -1.38 -3.32 114.58 106.84 1apo h GLU 82 Ca 0.00 0.00 -0.50 0.00 0.07 0.00 0.00 59.36 58.93 1apo h GLU 82 Cb 0.00 0.00 0.08 0.00 0.50 0.00 0.00 28.75 29.33 1apo h GLU 82 CO 0.00 0.00 0.40 -0.06 0.07 0.00 0.00 179.01 179.42 1apo s PHE 83 N -4.99 3.35 -0.19 2.06 0.08 -0.31 -4.87 117.98 113.11 1apo s PHE 83 Ca -0.05 1.18 0.13 0.00 0.12 0.00 0.00 56.93 58.30 1apo s PHE 83 Cb 0.19 -2.94 0.41 0.00 -0.57 0.00 0.00 43.02 40.11 1apo s PHE 83 CO 0.70 -1.09 1.21 0.45 -0.10 0.00 0.00 175.22 176.39 1apo n SER 84 N -2.98 1.67 -1.11 1.36 2.88 -1.23 -2.83 113.62 111.37 1apo n SER 84 Ca 0.07 -3.70 -0.04 0.00 -1.33 0.00 0.00 58.87 53.87 1apo n SER 84 Cb 0.56 -0.50 -0.02 0.00 -0.75 0.00 0.00 64.21 63.49 1apo n SER 84 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1apo n THR 85 N -0.99 0.00 0.00 2.46 -2.24 -1.18 -4.58 114.28 107.75 1apo n THR 85 Ca 0.18 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.96 1apo n THR 85 Cb 0.73 -0.39 0.00 0.00 -2.10 0.00 0.00 70.33 68.57 1apo n THR 85 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36