#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 6.49 0.00 4.39 1.11 -1.26 -4.99 116.67 122.41 1apo s ASP 46 Ca 0.00 2.15 0.00 0.00 0.18 0.00 0.00 52.55 54.88 1apo s ASP 46 Cb 0.00 -2.59 0.00 0.00 1.07 0.00 0.00 42.92 41.40 1apo s ASP 46 CO 0.00 -0.69 0.00 0.61 1.18 0.00 0.00 175.17 176.27 1apo n GLY 47 N 0.36 -0.88 0.33 0.21 0.00 -1.26 -4.97 105.19 98.97 1apo n GLY 47 Ca 0.06 0.87 0.11 0.00 0.00 0.00 0.00 46.02 47.07 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 1.55 0.00 1.61 9.92 -1.26 -4.82 116.55 123.55 1apo n ASP 48 Ca 0.00 -1.22 0.00 0.00 -0.53 0.00 0.00 54.79 53.04 1apo n ASP 48 Cb 0.00 0.48 0.00 0.00 -0.64 0.00 0.00 41.12 40.96 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 -0.50 -1.32 -0.03 -1.24 1.13 -1.26 -4.35 117.38 109.82 1apo n GLN 49 Ca 0.09 0.03 0.02 0.00 -1.94 0.00 0.00 57.00 55.20 1apo n GLN 49 Cb 0.41 -2.27 0.04 0.00 0.11 0.00 0.00 30.24 28.53 1apo n GLN 49 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1apo s GLU 51 N -0.68 4.23 0.00 0.00 2.12 -1.26 -2.82 118.70 120.30 1apo s GLU 51 Ca 0.07 1.70 0.00 0.00 0.36 0.00 0.00 54.97 57.10 1apo s GLU 51 Cb 0.04 -2.74 0.00 0.00 0.26 0.00 0.00 34.13 31.69 1apo s GLU 51 CO 0.06 -0.13 0.00 0.41 -0.54 0.00 0.00 175.26 175.07 1apo n GLY 52 N 0.65 0.86 2.99 -1.50 0.00 -1.26 -4.49 105.19 102.44 1apo n GLY 52 Ca 0.03 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.00 -1.65 -0.04 1.61 -0.00 -1.13 -4.92 115.22 107.09 1apo n HIS 53 Ca 0.00 0.75 -0.15 0.00 0.46 0.00 0.00 57.72 58.78 1apo n HIS 53 Cb 0.00 -2.23 -0.14 0.00 -0.12 0.00 0.00 29.99 27.50 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 1.14 0.69 -2.90 1.57 -0.04 -1.26 -4.89 135.00 129.32 1apo n PRO 54 Ca -0.01 0.21 -0.35 0.00 -0.04 0.00 0.00 63.50 63.31 1apo n PRO 54 Cb 0.30 -1.68 -0.07 0.00 -0.04 0.00 0.00 33.50 32.01 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 -2.52 3.22 -1.30 0.00 1.43 0.14 -4.07 118.68 115.58 1apo s LEU 56 Ca 0.53 -0.51 -0.03 0.00 -1.03 0.00 0.00 54.13 53.09 1apo s LEU 56 Cb -0.14 -2.12 0.01 0.00 0.03 0.00 0.00 46.19 43.97 1apo s LEU 56 CO 0.19 -1.32 0.95 0.59 0.23 0.00 0.00 176.35 176.99 1apo n ASN 57 N -2.32 -2.99 -3.00 2.29 3.02 -1.26 -1.41 115.26 109.59 1apo n ASN 57 Ca 0.13 -0.68 -0.19 0.00 -0.03 0.00 0.00 54.58 53.81 1apo n ASN 57 Cb 0.60 -4.66 -0.00 0.00 -0.61 0.00 0.00 39.78 35.12 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 -4.41 -3.10 0.00 3.52 3.00 -1.26 -4.68 117.38 110.44 1apo n GLN 58 Ca -0.19 0.53 0.00 0.00 -0.01 0.00 0.00 57.00 57.33 1apo n GLN 58 Cb 0.63 -5.21 0.00 0.00 0.00 0.00 0.00 30.24 25.66 1apo n GLN 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1apo n GLY 59 N -1.05 -2.56 2.88 1.08 0.00 -0.50 -4.80 105.19 100.24 1apo n GLY 59 Ca -0.07 -1.41 -0.26 0.00 0.00 0.00 0.00 46.02 44.28 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 -0.87 1.32 -0.29 1.61 2.46 -0.85 -4.94 115.29 113.74 1apo s HIS 60 Ca 0.00 -0.62 -0.09 0.00 0.47 0.00 0.00 55.06 54.82 1apo s HIS 60 Cb 0.00 -1.14 -0.02 0.00 -0.13 0.00 0.00 32.58 31.29 1apo s HIS 60 CO 0.00 -0.47 0.12 0.00 -2.47 0.00 0.00 174.74 171.92 1apo s LYS 62 N 1.62 3.49 0.16 0.00 2.20 -1.01 -4.77 119.74 121.42 1apo s LYS 62 Ca 0.05 -0.31 -0.07 0.00 -0.36 0.00 0.00 55.97 55.29 1apo s LYS 62 Cb -0.16 -3.02 -0.06 0.00 -1.51 0.00 0.00 37.83 33.08 1apo s LYS 62 CO 0.05 0.60 0.43 0.34 -0.36 0.00 0.00 175.35 176.41 1apo s ASP 63 N -2.30 6.54 0.00 1.43 2.15 -1.26 -1.74 116.67 121.49 1apo s ASP 63 Ca 0.34 0.70 0.00 0.00 0.43 0.00 0.00 52.55 54.02 1apo s ASP 63 Cb -0.13 -2.14 0.00 0.00 -0.30 0.00 0.00 42.92 40.35 1apo s ASP 63 CO 0.24 0.03 0.00 0.61 -0.17 0.00 0.00 175.17 175.88 1apo n GLY 64 N 0.09 -1.16 1.37 2.66 0.00 -1.26 -4.97 105.19 101.93 1apo n GLY 64 Ca -0.02 0.61 -0.12 0.00 0.00 0.00 0.00 46.02 46.50 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 0.00 0.00 0.21 -0.61 2.08 -1.26 -4.75 119.36 115.03 1apo n ILE 65 Ca 0.00 -0.20 0.02 0.00 0.56 0.00 0.00 62.75 63.13 1apo n ILE 65 Cb 0.00 -1.12 0.11 0.00 -0.75 0.00 0.00 39.64 37.88 1apo n ILE 65 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1apo n GLY 66 N -0.25 -0.39 3.29 7.39 0.00 -1.26 -4.32 105.19 109.65 1apo n GLY 66 Ca 0.06 -0.02 -0.26 0.00 0.00 0.00 0.00 46.02 45.80 1apo n GLY 66 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1apo s ASP 67 N -2.49 2.67 0.34 1.61 1.47 -1.26 -4.95 116.67 114.06 1apo s ASP 67 Ca 0.04 -0.61 0.00 0.00 1.18 0.00 0.00 52.55 53.17 1apo s ASP 67 Cb 0.03 -0.20 0.00 0.00 -0.34 0.00 0.00 42.92 42.41 1apo s ASP 67 CO 0.06 0.14 0.00 0.00 0.68 0.00 0.00 175.17 176.06 1apo n TYR 68 N 1.51 -1.69 -4.14 2.11 4.11 -1.26 -4.14 117.16 113.65 1apo n TYR 68 Ca -0.18 0.00 -0.17 0.00 -0.00 0.00 0.00 57.90 57.55 1apo n TYR 68 Cb 0.53 0.00 -0.15 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 0.03 0.43 0.12 -3.48 -4.23 -0.71 -4.93 115.64 102.87 1apo s THR 69 Ca 0.00 -0.16 -0.22 0.00 -1.18 0.00 0.00 61.69 60.13 1apo s THR 69 Cb 0.00 -0.42 -0.07 0.00 1.34 0.00 0.00 72.50 73.35 1apo s THR 69 CO 0.00 0.16 0.67 0.00 -0.54 0.00 0.00 174.62 174.91 1apo s THR 71 N -1.14 1.88 0.19 0.00 2.01 -0.04 -4.95 115.64 113.60 1apo s THR 71 Ca 0.33 -1.40 -0.26 0.00 0.31 0.00 0.00 61.69 60.66 1apo s THR 71 Cb -0.21 -2.03 -0.08 0.00 0.01 0.00 0.00 72.50 70.18 1apo s THR 71 CO 0.23 -0.02 0.82 0.00 -0.69 0.00 0.00 174.62 174.96 1apo s ALA 73 N -1.21 1.53 -0.36 0.00 0.00 -1.26 -4.72 121.76 115.75 1apo s ALA 73 Ca 0.38 0.02 -0.35 0.00 0.00 0.00 0.00 51.96 52.01 1apo s ALA 73 Cb -0.23 -3.22 -0.12 0.00 0.00 0.00 0.00 23.12 19.55 1apo s ALA 73 CO 0.27 -2.38 2.19 -1.91 0.00 0.00 0.00 175.76 173.93 1apo n GLU 74 N -3.91 1.03 0.00 0.00 2.13 -1.26 -1.29 120.64 117.34 1apo n GLU 74 Ca 0.07 0.28 0.00 0.00 0.66 0.00 0.00 57.16 58.17 1apo n GLU 74 Cb 0.55 -2.43 0.00 0.00 0.27 0.00 0.00 31.44 29.83 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 6.58 1.60 3.16 8.31 0.00 -1.26 -5.05 105.19 118.53 1apo n GLY 75 Ca 0.42 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.33 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 0.07 0.00 1.61 0.08 -0.41 -1.93 117.98 115.39 1apo s PHE 76 Ca 0.00 -0.26 0.00 0.00 0.12 0.00 0.00 56.93 56.79 1apo s PHE 76 Cb 0.00 -0.05 0.00 0.00 -0.57 0.00 0.00 43.02 42.40 1apo s PHE 76 CO 0.00 -0.39 0.00 -0.85 -0.10 0.00 0.00 175.22 173.88 1apo n GLU 77 N 0.85 0.00 0.00 0.44 0.28 0.75 -4.64 120.64 118.33 1apo n GLU 77 Ca -0.20 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.80 1apo n GLU 77 Cb 0.58 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.45 1apo n GLU 77 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1apo n GLY 78 N 0.00 -1.01 0.35 -1.84 0.00 -1.26 0.53 105.19 101.96 1apo n GLY 78 Ca 0.00 -1.65 0.06 0.00 0.00 0.00 0.00 46.02 44.44 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 0.77 -0.40 1.61 3.64 -2.00 -2.41 116.57 117.77 1apo h LYS 79 Ca 0.00 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.28 1apo h LYS 79 Cb 0.00 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 31.61 1apo h LYS 79 CO 0.00 0.51 0.04 0.09 -2.27 0.00 0.00 179.45 177.82 1apo n ASN 80 N -4.48 4.25 -1.77 4.20 3.02 -1.26 -4.78 115.26 114.43 1apo n ASN 80 Ca 0.11 -3.11 -0.19 0.00 -0.03 0.00 0.00 54.58 51.36 1apo n ASN 80 Cb 0.23 -0.61 -0.05 0.00 -0.61 0.00 0.00 39.78 38.74 1apo n ASN 80 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1apo h GLU 82 N 0.00 -0.46 -5.58 0.00 4.57 1.30 -3.31 114.58 111.10 1apo h GLU 82 Ca -0.42 0.03 -0.58 0.00 -1.18 0.00 0.00 59.36 57.21 1apo h GLU 82 Cb 1.28 0.11 -0.09 0.00 -0.16 0.00 0.00 28.75 29.88 1apo h GLU 82 CO 0.55 -0.31 -0.25 -0.59 -1.18 0.00 0.00 179.01 177.23 1apo s PHE 83 N -6.11 3.48 -0.60 0.92 -0.12 0.11 -4.53 117.98 111.13 1apo s PHE 83 Ca -0.16 0.71 -0.27 0.00 -0.05 0.00 0.00 56.93 57.16 1apo s PHE 83 Cb 0.06 -2.43 0.00 0.00 -0.63 0.00 0.00 43.02 40.02 1apo s PHE 83 CO 0.64 0.20 1.57 -1.54 -0.05 0.00 0.00 175.22 176.04 1apo s SER 84 N 0.56 5.82 0.31 1.98 1.04 -1.26 -0.18 113.70 121.97 1apo s SER 84 Ca 0.20 0.21 0.07 0.00 0.48 0.00 0.00 55.95 56.91 1apo s SER 84 Cb -0.14 -2.54 0.85 0.00 0.10 0.00 0.00 66.02 64.30 1apo s SER 84 CO 0.06 -1.97 1.64 0.71 0.98 0.00 0.00 173.24 174.66 1apo h THR 85 N 6.51 0.27 0.00 2.02 1.35 -1.71 -3.48 112.91 117.88 1apo h THR 85 Ca -0.27 -0.08 0.00 0.00 -0.55 0.00 0.00 66.41 65.51 1apo h THR 85 Cb 1.11 0.04 0.00 0.00 -1.73 0.00 0.00 68.15 67.57 1apo h THR 85 CO 1.20 0.04 0.00 -1.14 -0.25 0.00 0.00 175.52 175.37