#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1apo s ASP 46 N 0.00 6.39 0.00 -5.58 1.01 -1.26 -4.96 116.67 112.27 1apo s ASP 46 Ca 0.00 0.45 0.00 0.00 0.71 0.00 0.00 52.55 53.71 1apo s ASP 46 Cb 0.00 -2.20 0.00 0.00 1.01 0.00 0.00 42.92 41.73 1apo s ASP 46 CO 0.00 -0.02 0.00 0.61 0.21 0.00 0.00 175.17 175.97 1apo n GLY 47 N 3.86 1.02 0.01 0.21 0.00 -1.26 -4.99 105.19 104.04 1apo n GLY 47 Ca -0.10 0.55 0.09 0.00 0.00 0.00 0.00 46.02 46.55 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 0.91 0.00 1.61 9.92 -1.26 -4.74 116.55 123.00 1apo n ASP 48 Ca 0.00 -0.29 0.00 0.00 -0.53 0.00 0.00 54.79 53.97 1apo n ASP 48 Cb 0.00 1.55 0.00 0.00 -0.64 0.00 0.00 41.12 42.03 1apo n ASP 48 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1apo n GLN 49 N -1.89 -1.36 0.00 -1.24 1.13 -1.26 -4.43 117.38 108.33 1apo n GLN 49 Ca -0.01 0.04 0.02 0.00 -1.94 0.00 0.00 57.00 55.10 1apo n GLN 49 Cb 0.40 -2.33 0.01 0.00 0.11 0.00 0.00 30.24 28.43 1apo n GLN 49 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1apo n GLU 51 N 0.10 0.34 -0.63 0.00 2.13 -1.26 -2.90 120.64 118.41 1apo n GLU 51 Ca 0.02 -0.08 0.06 0.00 0.66 0.00 0.00 57.16 57.82 1apo n GLU 51 Cb 0.08 -1.50 0.31 0.00 0.27 0.00 0.00 31.44 30.60 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 1.37 2.49 3.25 8.31 0.00 -1.26 -4.97 105.19 114.38 1apo n GLY 52 Ca 0.11 -0.71 -0.19 0.00 0.00 0.00 0.00 46.02 45.24 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 0.62 -2.05 -0.09 1.61 -0.00 -1.14 -4.93 115.22 109.25 1apo n HIS 53 Ca 0.21 0.86 -0.17 0.00 0.46 0.00 0.00 57.72 59.08 1apo n HIS 53 Cb 0.90 -2.02 -0.13 0.00 -0.12 0.00 0.00 29.99 28.62 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 0.37 0.68 -3.71 1.57 -0.04 -1.26 -4.94 135.00 127.67 1apo n PRO 54 Ca -0.02 0.17 -0.30 0.00 -0.04 0.00 0.00 63.50 63.30 1apo n PRO 54 Cb 0.53 -1.58 -0.04 0.00 -0.04 0.00 0.00 33.50 32.37 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 -2.79 3.09 -1.30 0.00 1.43 0.81 -4.52 118.68 115.40 1apo s LEU 56 Ca 0.40 -0.90 -0.03 0.00 -1.03 0.00 0.00 54.13 52.57 1apo s LEU 56 Cb -0.12 -1.68 0.01 0.00 0.03 0.00 0.00 46.19 44.43 1apo s LEU 56 CO 0.26 -1.11 0.89 0.59 0.23 0.00 0.00 176.35 177.21 1apo n ASN 57 N -1.96 -2.47 -3.29 2.29 3.02 -1.26 -1.32 115.26 110.25 1apo n ASN 57 Ca 0.08 -0.71 -0.22 0.00 -0.03 0.00 0.00 54.58 53.70 1apo n ASN 57 Cb 0.62 -4.54 -0.00 0.00 -0.61 0.00 0.00 39.78 35.25 1apo n ASN 57 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 1apo n GLN 58 N -4.35 -3.30 0.00 3.52 7.27 -1.26 -4.92 117.38 114.33 1apo n GLN 58 Ca -0.22 0.48 0.00 0.00 0.07 0.00 0.00 57.00 57.32 1apo n GLN 58 Cb 0.65 -5.17 0.00 0.00 2.41 0.00 0.00 30.24 28.12 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 -1.14 -1.92 3.34 1.69 0.00 -0.44 -4.85 105.19 101.87 1apo n GLY 59 Ca -0.02 -1.45 -0.19 0.00 0.00 0.00 0.00 46.02 44.35 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 -0.14 1.63 -0.18 1.61 2.46 -0.18 -4.98 115.29 115.51 1apo s HIS 60 Ca 0.00 -1.39 -0.15 0.00 0.47 0.00 0.00 55.06 53.99 1apo s HIS 60 Cb 0.00 -0.87 0.05 0.00 -0.13 0.00 0.00 32.58 31.63 1apo s HIS 60 CO 0.00 -0.53 0.47 0.00 -2.47 0.00 0.00 174.74 172.21 1apo s LYS 62 N 0.47 2.99 0.65 0.00 -0.14 -0.81 -4.92 119.74 117.98 1apo s LYS 62 Ca -0.02 -0.75 -0.12 0.00 -1.36 0.00 0.00 55.97 53.73 1apo s LYS 62 Cb -0.04 -2.45 -0.02 0.00 -1.68 0.00 0.00 37.83 33.64 1apo s LYS 62 CO -0.02 0.34 1.04 0.34 -0.76 0.00 0.00 175.35 176.29 1apo s ASP 63 N 0.00 5.81 -0.26 2.83 2.15 -1.26 -1.71 116.67 124.23 1apo s ASP 63 Ca -0.05 1.55 0.16 0.00 0.43 0.00 0.00 52.55 54.64 1apo s ASP 63 Cb -0.15 -2.49 0.40 0.00 -0.30 0.00 0.00 42.92 40.39 1apo s ASP 63 CO 0.05 -1.15 1.33 0.61 -0.17 0.00 0.00 175.17 175.83 1apo n GLY 64 N -2.18 1.74 3.33 2.66 0.00 -1.26 -4.91 105.19 104.57 1apo n GLY 64 Ca 0.07 -0.48 -0.23 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.95 0.00 0.00 -0.61 5.41 -1.26 -4.63 119.36 117.32 1apo n ILE 65 Ca -0.09 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.66 1apo n ILE 65 Cb 0.85 -0.26 0.00 0.00 -0.71 0.00 0.00 39.64 39.52 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 -0.76 -1.23 1.63 7.39 0.00 -1.26 -5.10 105.19 105.85 1apo n GLY 66 Ca 0.06 0.75 0.00 0.00 0.00 0.00 0.00 46.02 46.84 1apo n GLY 66 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1apo n ASP 67 N 0.00 -6.61 -2.17 1.61 9.92 -1.26 -4.99 116.55 113.04 1apo n ASP 67 Ca 0.00 0.99 0.00 0.00 -0.53 0.00 0.00 54.79 55.25 1apo n ASP 67 Cb 0.00 -3.65 0.00 0.00 -0.64 0.00 0.00 41.12 36.83 1apo n ASP 67 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1apo n TYR 68 N 1.21 -3.63 -3.84 1.24 4.11 -1.26 -4.12 117.16 110.87 1apo n TYR 68 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 57.90 57.75 1apo n TYR 68 Cb 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 39.34 39.19 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 -0.99 0.02 -0.05 -3.48 -4.23 -0.69 -4.93 115.64 101.28 1apo s THR 69 Ca 0.00 0.12 -0.28 0.00 -1.18 0.00 0.00 61.69 60.35 1apo s THR 69 Cb 0.00 -0.11 -0.03 0.00 1.34 0.00 0.00 72.50 73.71 1apo s THR 69 CO 0.00 0.08 0.92 0.00 -0.54 0.00 0.00 174.62 175.08 1apo s THR 71 N 1.28 4.02 0.19 0.00 2.01 -0.49 -4.94 115.64 117.71 1apo s THR 71 Ca 0.47 -1.08 -0.20 0.00 0.31 0.00 0.00 61.69 61.19 1apo s THR 71 Cb -0.19 -3.28 -0.08 0.00 0.01 0.00 0.00 72.50 68.96 1apo s THR 71 CO 0.23 -0.22 0.69 0.00 -0.69 0.00 0.00 174.62 174.63 1apo s ALA 73 N -1.42 1.49 0.04 0.00 0.00 -1.26 -4.79 121.76 115.83 1apo s ALA 73 Ca 0.40 -0.59 -0.35 0.00 0.00 0.00 0.00 51.96 51.41 1apo s ALA 73 Cb -0.18 -3.01 -0.14 0.00 0.00 0.00 0.00 23.12 19.79 1apo s ALA 73 CO 0.21 -2.57 1.59 -1.91 0.00 0.00 0.00 175.76 173.08 1apo n GLU 74 N -3.97 1.75 -0.47 0.00 0.00 -1.26 -0.93 120.64 115.77 1apo n GLU 74 Ca 0.08 0.64 0.00 0.00 0.00 0.00 0.00 57.16 57.87 1apo n GLU 74 Cb 0.59 -2.37 0.00 0.00 0.00 0.00 0.00 31.44 29.66 1apo n GLU 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1apo n GLY 75 N 3.45 0.71 2.95 8.31 0.00 -1.26 -5.06 105.19 114.29 1apo n GLY 75 Ca 0.20 -0.49 -0.10 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.00 0.13 0.00 1.61 0.08 -0.11 -3.54 117.98 114.16 1apo s PHE 76 Ca 0.00 -0.27 0.00 0.00 0.12 0.00 0.00 56.93 56.78 1apo s PHE 76 Cb 0.00 -0.10 0.00 0.00 -0.57 0.00 0.00 43.02 42.35 1apo s PHE 76 CO 0.00 -0.12 0.00 0.39 -0.10 0.00 0.00 175.22 175.39 1apo n GLU 77 N 2.18 0.00 -0.03 0.44 -0.58 -1.04 -4.55 120.64 117.06 1apo n GLU 77 Ca -0.19 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.55 1apo n GLU 77 Cb 0.57 0.00 -0.00 0.00 -0.57 0.00 0.00 31.44 31.44 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 0.00 -2.07 0.25 0.62 0.00 -1.26 -1.39 105.19 101.33 1apo n GLY 78 Ca 0.00 -1.48 -0.08 0.00 0.00 0.00 0.00 46.02 44.46 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 -0.03 0.71 0.00 1.61 3.64 -1.99 -2.47 116.57 118.03 1apo h LYS 79 Ca -0.00 -0.32 0.00 0.00 -1.27 0.00 0.00 60.65 59.06 1apo h LYS 79 Cb 0.03 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 1apo h LYS 79 CO 0.00 0.92 -0.06 -0.91 -2.27 0.00 0.00 179.45 177.13 1apo h ASN 80 N 0.60 0.00 -0.09 4.20 4.21 -1.86 -3.43 115.58 119.21 1apo h ASN 80 Ca 0.07 -0.01 -0.04 0.00 1.21 0.00 0.00 56.30 57.53 1apo h ASN 80 Cb 0.81 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.00 1apo h ASN 80 CO 0.07 0.01 -0.03 0.00 -1.29 0.00 0.00 177.43 176.18 1apo h GLU 82 N 0.12 0.15 -7.37 0.00 4.81 -1.60 -3.37 114.58 107.32 1apo h GLU 82 Ca -0.04 -0.01 -0.51 0.00 -0.13 0.00 0.00 59.36 58.68 1apo h GLU 82 Cb 0.13 -0.03 0.07 0.00 0.63 0.00 0.00 28.75 29.55 1apo h GLU 82 CO 0.06 0.10 0.41 -0.06 -0.73 0.00 0.00 179.01 178.78 1apo s PHE 83 N -5.19 3.46 -0.26 0.92 0.08 -0.99 -4.88 117.98 111.12 1apo s PHE 83 Ca -0.06 1.28 0.11 0.00 0.12 0.00 0.00 56.93 58.38 1apo s PHE 83 Cb 0.17 -2.81 0.46 0.00 -0.57 0.00 0.00 43.02 40.27 1apo s PHE 83 CO 0.69 -0.90 1.18 0.45 -0.10 0.00 0.00 175.22 176.55 1apo n SER 84 N -2.88 3.80 -1.13 1.36 2.88 -1.26 -2.48 113.62 113.91 1apo n SER 84 Ca 0.06 -3.46 -0.00 0.00 -1.33 0.00 0.00 58.87 54.14 1apo n SER 84 Cb 0.54 -0.39 -0.00 0.00 -0.75 0.00 0.00 64.21 63.61 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 -0.72 -0.00 -1.29 2.46 -2.24 -1.23 -4.73 114.28 106.54 1apo n THR 85 Ca 0.33 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.11 1apo n THR 85 Cb 0.91 -0.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.13 1apo n THR 85 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36