#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 2.39 -3.22 4.39 8.00 -1.26 -5.01 116.55 121.84 1apo n ASP 46 Ca 0.00 -0.01 0.04 0.00 0.71 0.00 0.00 54.79 55.52 1apo n ASP 46 Cb 0.00 0.62 -0.04 0.00 -0.02 0.00 0.00 41.12 41.68 1apo n ASP 46 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1apo s GLY 47 N -4.51 0.12 -0.53 0.44 0.00 -1.26 -5.00 107.32 96.59 1apo s GLY 47 Ca -0.08 3.44 -0.01 0.00 0.00 0.00 0.00 44.72 48.08 1apo s GLY 47 CO 0.43 3.45 2.01 1.22 0.00 0.00 0.00 173.10 180.21 1apo n ASP 48 N 4.79 6.99 0.15 1.64 9.92 -1.26 -4.08 116.55 134.69 1apo n ASP 48 Ca -0.07 -3.50 0.04 0.00 -0.53 0.00 0.00 54.79 50.72 1apo n ASP 48 Cb 0.55 -0.99 0.04 0.00 -0.64 0.00 0.00 41.12 40.08 1apo n ASP 48 CO 0.00 0.00 0.00 1.56 0.13 0.00 0.00 177.20 178.89 1apo h GLN 49 N 1.73 0.00 0.00 -1.24 4.20 -1.97 -3.38 115.11 114.44 1apo h GLN 49 Ca 0.49 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 59.16 1apo h GLN 49 Cb 0.97 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.69 1apo h GLN 49 CO 1.26 0.44 -0.24 0.00 -0.67 0.00 0.00 178.83 179.62 1apo n GLU 51 N 0.04 0.21 -0.44 0.00 2.13 -1.26 -1.99 120.64 119.33 1apo n GLU 51 Ca -0.06 0.35 0.03 0.00 0.66 0.00 0.00 57.16 58.14 1apo n GLU 51 Cb 0.63 -1.84 0.20 0.00 0.27 0.00 0.00 31.44 30.70 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 0.43 2.24 3.12 8.31 0.00 -1.26 -4.92 105.19 113.11 1apo n GLY 52 Ca 0.03 -0.45 -0.17 0.00 0.00 0.00 0.00 46.02 45.44 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 0.29 -2.75 0.02 1.61 -0.00 -0.84 -4.93 115.22 108.62 1apo n HIS 53 Ca 0.14 1.15 -0.19 0.00 0.46 0.00 0.00 57.72 59.28 1apo n HIS 53 Cb 0.72 -2.78 -0.14 0.00 -0.12 0.00 0.00 29.99 27.67 1apo n HIS 53 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1apo h PRO 54 N 2.45 0.23 -6.41 1.57 0.13 -1.91 -3.45 132.00 124.61 1apo h PRO 54 Ca -0.20 -0.39 -0.54 0.00 -0.87 0.00 0.00 66.00 63.99 1apo h PRO 54 Cb 0.99 0.15 -0.00 0.00 0.13 0.00 0.00 31.00 32.27 1apo h PRO 54 CO 0.16 1.08 0.70 0.00 -0.23 0.00 0.00 178.00 179.71 1apo s LEU 56 N 1.80 2.75 -0.89 0.00 1.43 0.19 -4.15 118.68 119.81 1apo s LEU 56 Ca 0.60 0.27 -0.00 0.00 -1.03 0.00 0.00 54.13 53.97 1apo s LEU 56 Cb -0.29 -2.56 -0.00 0.00 0.03 0.00 0.00 46.19 43.36 1apo s LEU 56 CO 0.26 -2.21 0.75 0.59 0.23 0.00 0.00 176.35 175.97 1apo n ASN 57 N -3.35 -2.31 -1.66 2.29 3.02 -1.26 -2.14 115.26 109.84 1apo n ASN 57 Ca 0.13 -0.47 -0.12 0.00 -0.03 0.00 0.00 54.58 54.08 1apo n ASN 57 Cb 0.60 -3.99 -0.04 0.00 -0.61 0.00 0.00 39.78 35.74 1apo n ASN 57 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1apo n GLN 58 N -3.31 -1.54 0.00 3.52 1.13 -1.26 -4.59 117.38 111.32 1apo n GLN 58 Ca -0.20 0.66 0.00 0.00 -1.94 0.00 0.00 57.00 55.52 1apo n GLN 58 Cb 0.62 -4.99 0.00 0.00 0.11 0.00 0.00 30.24 25.98 1apo n GLN 58 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1apo n GLY 59 N -0.38 -0.89 3.45 1.08 0.00 -0.90 -4.68 105.19 102.87 1apo n GLY 59 Ca -0.12 -1.17 -0.10 0.00 0.00 0.00 0.00 46.02 44.63 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 0.00 0.02 0.02 1.61 2.46 -1.00 -4.86 115.29 113.54 1apo s HIS 60 Ca 0.00 -0.37 -0.02 0.00 0.47 0.00 0.00 55.06 55.14 1apo s HIS 60 Cb 0.00 0.25 -0.02 0.00 -0.13 0.00 0.00 32.58 32.69 1apo s HIS 60 CO 0.00 -0.84 0.01 0.00 -2.47 0.00 0.00 174.74 171.44 1apo s LYS 62 N -1.53 0.21 0.49 0.00 2.47 -0.97 -4.96 119.74 115.45 1apo s LYS 62 Ca -0.15 0.01 -0.19 0.00 -1.56 0.00 0.00 55.97 54.09 1apo s LYS 62 Cb -0.09 -0.31 -0.08 0.00 -1.46 0.00 0.00 37.83 35.89 1apo s LYS 62 CO -0.01 -0.05 1.00 0.34 0.16 0.00 0.00 175.35 176.79 1apo s ASP 63 N 0.51 6.55 0.22 1.43 -1.08 -1.26 -1.57 116.67 121.46 1apo s ASP 63 Ca -0.05 1.73 0.03 0.00 -0.52 0.00 0.00 52.55 53.74 1apo s ASP 63 Cb -0.07 -2.53 -0.01 0.00 -1.46 0.00 0.00 42.92 38.84 1apo s ASP 63 CO -0.01 -0.63 0.22 0.61 0.52 0.00 0.00 175.17 175.88 1apo n GLY 64 N -0.88 3.07 1.28 2.66 0.00 -1.25 -4.92 105.19 105.15 1apo n GLY 64 Ca 0.08 -1.73 -0.06 0.00 0.00 0.00 0.00 46.02 44.31 1apo n GLY 64 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1apo n ILE 65 N -0.40 1.50 0.00 -0.61 5.41 -1.26 -4.24 119.36 119.76 1apo n ILE 65 Ca 0.04 -0.47 0.00 0.00 1.00 0.00 0.00 62.75 63.32 1apo n ILE 65 Cb 0.39 -0.85 0.00 0.00 -0.71 0.00 0.00 39.64 38.47 1apo n ILE 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1apo n GLY 66 N 0.10 -1.23 0.64 7.39 0.00 -1.26 -5.12 105.19 105.70 1apo n GLY 66 Ca 0.14 0.79 0.00 0.00 0.00 0.00 0.00 46.02 46.95 1apo n GLY 66 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1apo n ASP 67 N 0.00 -4.31 -2.26 1.61 2.03 -1.26 -4.99 116.55 107.37 1apo n ASP 67 Ca 0.00 0.48 -0.03 0.00 0.52 0.00 0.00 54.79 55.76 1apo n ASP 67 Cb 0.00 -1.18 0.02 0.00 -0.72 0.00 0.00 41.12 39.24 1apo n ASP 67 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1apo n TYR 68 N -0.52 -3.81 -4.50 -0.67 4.11 -1.26 -3.87 117.16 106.65 1apo n TYR 68 Ca 0.00 -0.10 -0.21 0.00 -0.00 0.00 0.00 57.90 57.59 1apo n TYR 68 Cb 0.00 -0.09 -0.15 0.00 -0.00 0.00 0.00 39.34 39.09 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 -1.24 0.94 -0.19 -3.48 -4.23 -0.61 -4.88 115.64 101.95 1apo s THR 69 Ca 0.07 -0.46 -0.08 0.00 -1.18 0.00 0.00 61.69 60.04 1apo s THR 69 Cb -0.00 -0.82 -0.04 0.00 1.34 0.00 0.00 72.50 72.98 1apo s THR 69 CO 0.05 0.28 0.07 0.00 -0.54 0.00 0.00 174.62 174.48 1apo s THR 71 N 0.45 2.47 0.00 0.00 2.01 0.62 -4.94 115.64 116.25 1apo s THR 71 Ca 0.04 -1.21 0.00 0.00 0.31 0.00 0.00 61.69 60.82 1apo s THR 71 Cb -0.12 -2.69 0.00 0.00 0.01 0.00 0.00 72.50 69.70 1apo s THR 71 CO 0.00 0.00 0.00 0.00 -0.69 0.00 0.00 174.62 173.93 1apo n ALA 73 N -2.85 0.00 -1.68 0.00 0.00 -1.26 -2.12 120.51 112.60 1apo n ALA 73 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 53.44 52.99 1apo n ALA 73 Cb 0.41 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.82 1apo n ALA 73 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1apo n GLU 74 N -0.96 2.48 -2.36 0.00 2.13 -1.26 -1.50 120.64 119.17 1apo n GLU 74 Ca 0.00 0.91 -0.03 0.00 0.66 0.00 0.00 57.16 58.69 1apo n GLU 74 Cb 0.00 -2.78 0.01 0.00 0.27 0.00 0.00 31.44 28.93 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 4.30 0.48 3.08 8.31 0.00 -1.26 -5.03 105.19 115.07 1apo n GLY 75 Ca 0.20 -0.65 -0.11 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.60 0.10 0.37 1.61 0.08 -0.56 -3.30 117.98 113.68 1apo s PHE 76 Ca 0.04 -0.26 -0.11 0.00 0.12 0.00 0.00 56.93 56.73 1apo s PHE 76 Cb -0.02 -0.09 0.04 0.00 -0.57 0.00 0.00 43.02 42.38 1apo s PHE 76 CO 0.05 -0.27 0.68 -1.21 -0.10 0.00 0.00 175.22 174.37 1apo s GLU 77 N -1.51 2.11 0.00 0.44 2.02 -1.25 -4.34 118.70 116.18 1apo s GLU 77 Ca -0.14 -1.54 0.00 0.00 0.02 0.00 0.00 54.97 53.31 1apo s GLU 77 Cb -0.08 0.56 0.00 0.00 0.10 0.00 0.00 34.13 34.72 1apo s GLU 77 CO 0.01 -0.95 0.00 0.41 0.02 0.00 0.00 175.26 174.74 1apo n GLY 78 N -0.54 0.74 0.47 -1.39 0.00 -1.26 -1.82 105.19 101.38 1apo n GLY 78 Ca -0.05 -2.20 -0.18 0.00 0.00 0.00 0.00 46.02 43.59 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 -1.14 0.00 1.61 3.64 -2.01 -2.98 116.57 115.69 1apo h LYS 79 Ca 0.00 0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.44 1apo h LYS 79 Cb 0.00 0.26 -0.00 0.00 -0.41 0.00 0.00 32.23 32.08 1apo h LYS 79 CO 0.00 -0.76 -0.09 -0.91 -2.27 0.00 0.00 179.45 175.43 1apo h ASN 80 N -1.22 0.00 0.00 4.20 4.21 -1.87 -3.47 115.58 117.44 1apo h ASN 80 Ca -0.12 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.39 1apo h ASN 80 Cb 0.90 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.10 1apo h ASN 80 CO 0.20 0.09 0.00 0.00 -1.29 0.00 0.00 177.43 176.42 1apo h GLU 82 N 0.00 0.00 -7.75 0.00 4.11 -1.76 -3.36 114.58 105.83 1apo h GLU 82 Ca 0.00 0.00 -0.45 0.00 0.07 0.00 0.00 59.36 58.98 1apo h GLU 82 Cb 0.28 0.00 0.15 0.00 0.50 0.00 0.00 28.75 29.69 1apo h GLU 82 CO 0.00 0.00 0.39 -0.06 0.07 0.00 0.00 179.01 179.41 1apo s PHE 83 N -4.11 1.68 -0.26 2.06 0.08 -0.76 -4.92 117.98 111.75 1apo s PHE 83 Ca -0.05 0.29 0.20 0.00 0.12 0.00 0.00 56.93 57.49 1apo s PHE 83 Cb 0.13 -3.98 0.50 0.00 -0.57 0.00 0.00 43.02 39.10 1apo s PHE 83 CO 0.40 -2.51 1.13 0.43 -0.10 0.00 0.00 175.22 174.57 1apo n SER 84 N -3.65 2.19 -2.53 1.36 7.64 -1.25 -3.78 113.62 113.59 1apo n SER 84 Ca 0.15 -2.35 -0.05 0.00 1.01 0.00 0.00 58.87 57.64 1apo n SER 84 Cb 0.60 -0.45 -0.00 0.00 -1.01 0.00 0.00 64.21 63.34 1apo n SER 84 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1apo n THR 85 N -0.61 -0.18 -0.59 0.44 -2.24 -1.21 -4.65 114.28 105.25 1apo n THR 85 Ca 0.14 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.92 1apo n THR 85 Cb 0.84 -0.54 0.00 0.00 -2.10 0.00 0.00 70.33 68.53 1apo n THR 85 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36