#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 1.76 -0.31 -5.58 -4.77 -1.26 -5.06 116.67 101.44 1apo s ASP 46 Ca 0.00 -1.26 0.02 0.00 -3.30 0.00 0.00 52.55 48.01 1apo s ASP 46 Cb 0.00 0.03 0.10 0.00 -1.09 0.00 0.00 42.92 41.96 1apo s ASP 46 CO 0.00 -0.56 1.13 0.61 0.70 0.00 0.00 175.17 177.05 1apo n GLY 47 N -0.44 -1.06 0.02 2.12 0.00 -1.26 -4.96 105.19 99.61 1apo n GLY 47 Ca -0.04 0.21 0.01 0.00 0.00 0.00 0.00 46.02 46.20 1apo n GLY 47 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1apo n ASP 48 N -0.27 2.90 0.00 1.61 5.68 -1.26 -4.91 116.55 120.30 1apo n ASP 48 Ca -0.24 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.05 1apo n ASP 48 Cb 0.66 1.10 0.00 0.00 -1.14 0.00 0.00 41.12 41.75 1apo n ASP 48 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1apo n GLN 49 N -2.04 -0.98 -2.55 0.11 1.13 -1.26 -4.64 117.38 107.15 1apo n GLN 49 Ca -0.07 0.04 -0.32 0.00 -1.94 0.00 0.00 57.00 54.71 1apo n GLN 49 Cb 0.48 -2.23 -0.00 0.00 0.11 0.00 0.00 30.24 28.60 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 -0.34 -0.04 0.14 0.00 2.13 -1.26 -4.67 120.64 116.59 1apo n GLU 51 Ca 0.41 -0.01 0.08 0.00 0.66 0.00 0.00 57.16 58.29 1apo n GLU 51 Cb 0.42 -1.04 0.41 0.00 0.27 0.00 0.00 31.44 31.50 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 3.41 -0.70 2.91 8.31 0.00 -1.26 -4.22 105.19 113.64 1apo n GLY 52 Ca -0.02 0.14 0.03 0.00 0.00 0.00 0.00 46.02 46.17 1apo n GLY 52 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1apo s HIS 53 N -3.35 -0.51 -0.26 1.61 5.65 -1.26 -5.03 115.29 112.14 1apo s HIS 53 Ca -0.02 0.15 -0.01 0.00 0.25 0.00 0.00 55.06 55.43 1apo s HIS 53 Cb 0.04 0.09 -0.16 0.00 -1.18 0.00 0.00 32.58 31.37 1apo s HIS 53 CO 0.14 -0.33 -0.24 -0.35 -0.65 0.00 0.00 174.74 173.31 1apo n PRO 54 N 4.18 0.64 -2.00 2.88 -0.04 -1.26 -4.98 135.00 134.42 1apo n PRO 54 Ca 0.07 0.17 -0.28 0.00 -0.04 0.00 0.00 63.50 63.42 1apo n PRO 54 Cb 0.61 -1.52 0.08 0.00 -0.04 0.00 0.00 33.50 32.63 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 -5.45 3.18 -1.37 0.00 1.43 0.21 -4.43 118.68 112.25 1apo s LEU 56 Ca 0.61 -0.70 -0.07 0.00 -1.03 0.00 0.00 54.13 52.94 1apo s LEU 56 Cb -0.11 -1.87 0.03 0.00 0.03 0.00 0.00 46.19 44.27 1apo s LEU 56 CO 0.48 -1.30 0.98 0.59 0.23 0.00 0.00 176.35 177.32 1apo n ASN 57 N -2.25 -3.92 -2.37 2.29 3.02 -1.26 -0.97 115.26 109.80 1apo n ASN 57 Ca 0.14 -0.69 -0.11 0.00 -0.03 0.00 0.00 54.58 53.89 1apo n ASN 57 Cb 0.61 -4.47 -0.01 0.00 -0.61 0.00 0.00 39.78 35.30 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 -4.59 -2.23 0.00 3.52 1.13 -1.26 -4.88 117.38 109.07 1apo n GLN 58 Ca -0.11 0.54 0.00 0.00 -1.94 0.00 0.00 57.00 55.50 1apo n GLN 58 Cb 0.60 -5.10 0.00 0.00 0.11 0.00 0.00 30.24 25.84 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 -0.73 -2.14 3.56 1.08 0.00 -0.14 -4.89 105.19 101.92 1apo n GLY 59 Ca -0.13 -1.47 -0.26 0.00 0.00 0.00 0.00 46.02 44.16 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 -0.70 2.42 -0.08 1.61 2.46 -0.46 -4.87 115.29 115.66 1apo s HIS 60 Ca 0.00 -0.54 -0.04 0.00 0.47 0.00 0.00 55.06 54.95 1apo s HIS 60 Cb 0.00 -1.46 0.04 0.00 -0.13 0.00 0.00 32.58 31.03 1apo s HIS 60 CO 0.00 0.55 0.19 0.00 -2.47 0.00 0.00 174.74 173.01 1apo n LYS 62 N 4.21 0.83 -3.90 0.00 4.81 -0.79 -4.90 118.16 118.41 1apo n LYS 62 Ca -0.26 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.09 1apo n LYS 62 Cb 0.52 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 35.49 1apo n LYS 62 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1apo s ASP 63 N -0.67 0.15 -0.30 3.14 2.15 -1.26 -4.45 116.67 115.43 1apo s ASP 63 Ca 0.00 -0.54 -0.26 0.00 0.43 0.00 0.00 52.55 52.18 1apo s ASP 63 Cb 0.00 0.26 0.20 0.00 -0.30 0.00 0.00 42.92 43.08 1apo s ASP 63 CO 0.00 -0.56 1.46 -0.83 -0.17 0.00 0.00 175.17 175.07 1apo s GLY 64 N -2.29 0.36 0.33 2.66 0.00 -1.17 -4.56 107.32 102.64 1apo s GLY 64 Ca -0.03 3.49 -0.29 0.00 0.00 0.00 0.00 44.72 47.90 1apo s GLY 64 CO -0.06 1.83 1.55 1.39 0.00 0.00 0.00 173.10 177.81 1apo n ILE 65 N 1.39 1.44 0.00 0.90 5.41 -1.26 -1.64 119.36 125.60 1apo n ILE 65 Ca -0.09 -0.36 0.00 0.00 1.00 0.00 0.00 62.75 63.30 1apo n ILE 65 Cb 0.57 -1.97 0.00 0.00 -0.71 0.00 0.00 39.64 37.54 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 1.44 1.71 3.58 7.39 0.00 -1.26 -4.84 105.19 113.22 1apo n GLY 66 Ca 0.05 -0.18 -0.12 0.00 0.00 0.00 0.00 46.02 45.78 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 0.04 -0.45 0.46 1.61 -4.77 -0.65 -5.15 116.67 107.76 1apo s ASP 67 Ca 0.00 0.60 0.00 0.00 -3.30 0.00 0.00 52.55 49.85 1apo s ASP 67 Cb 0.00 0.52 0.00 0.00 -1.09 0.00 0.00 42.92 42.35 1apo s ASP 67 CO 0.00 -0.33 0.00 0.00 0.70 0.00 0.00 175.17 175.54 1apo n TYR 68 N 1.19 -2.43 -4.23 2.11 4.11 -1.25 -3.06 117.16 113.59 1apo n TYR 68 Ca -0.12 0.00 -0.17 0.00 -0.00 0.00 0.00 57.90 57.61 1apo n TYR 68 Cb 0.57 0.00 -0.14 0.00 -0.00 0.00 0.00 39.34 39.77 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 -0.05 0.61 0.16 -3.48 -4.23 -1.26 -4.80 115.64 102.60 1apo s THR 69 Ca 0.00 -0.54 -0.13 0.00 -1.18 0.00 0.00 61.69 59.84 1apo s THR 69 Cb 0.00 -0.56 -0.07 0.00 1.34 0.00 0.00 72.50 73.21 1apo s THR 69 CO 0.00 0.03 0.54 0.00 -0.54 0.00 0.00 174.62 174.65 1apo s THR 71 N -1.52 1.35 0.13 0.00 2.01 -1.03 -4.97 115.64 111.61 1apo s THR 71 Ca 0.39 -0.68 -0.15 0.00 0.31 0.00 0.00 61.69 61.55 1apo s THR 71 Cb -0.14 -1.41 -0.07 0.00 0.01 0.00 0.00 72.50 70.89 1apo s THR 71 CO 0.19 0.25 0.55 0.00 -0.69 0.00 0.00 174.62 174.93 1apo s ALA 73 N -1.39 1.45 0.30 0.00 0.00 -1.26 -4.80 121.76 116.06 1apo s ALA 73 Ca 0.36 -0.60 -0.29 0.00 0.00 0.00 0.00 51.96 51.43 1apo s ALA 73 Cb -0.16 -3.01 -0.13 0.00 0.00 0.00 0.00 23.12 19.82 1apo s ALA 73 CO 0.19 -2.61 1.31 -1.91 0.00 0.00 0.00 175.76 172.74 1apo n GLU 74 N -4.00 2.02 -0.84 0.00 2.13 -1.26 -0.98 120.64 117.71 1apo n GLU 74 Ca 0.08 0.71 0.00 0.00 0.66 0.00 0.00 57.16 58.61 1apo n GLU 74 Cb 0.59 -2.30 0.00 0.00 0.27 0.00 0.00 31.44 29.99 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 1.35 0.52 3.06 8.31 0.00 -1.26 -5.04 105.19 112.13 1apo n GLY 75 Ca 0.08 -0.58 -0.12 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.05 0.32 1.61 0.08 -0.15 -3.53 117.98 114.27 1apo s PHE 76 Ca 0.00 0.11 -0.01 0.00 0.12 0.00 0.00 56.93 57.15 1apo s PHE 76 Cb 0.00 -0.00 0.00 0.00 -0.57 0.00 0.00 43.02 42.45 1apo s PHE 76 CO 0.00 -0.18 0.43 0.39 -0.10 0.00 0.00 175.22 175.76 1apo n GLU 77 N 2.22 0.63 0.00 0.44 1.02 -1.14 -4.52 120.64 119.29 1apo n GLU 77 Ca -0.18 -2.66 0.00 0.00 -0.02 0.00 0.00 57.16 54.30 1apo n GLU 77 Cb 0.57 2.52 0.00 0.00 -0.02 0.00 0.00 31.44 34.51 1apo n GLU 77 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1apo n GLY 78 N -0.54 0.11 0.09 0.62 0.00 -1.26 -1.07 105.19 103.13 1apo n GLY 78 Ca 0.01 -1.89 -0.13 0.00 0.00 0.00 0.00 46.02 44.02 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 0.15 -0.00 1.61 3.64 -2.00 -2.70 116.57 117.28 1apo h LYS 79 Ca 0.00 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 1apo h LYS 79 Cb 0.00 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 1apo h LYS 79 CO 0.00 0.63 -0.05 0.09 -2.27 0.00 0.00 179.45 177.84 1apo n ASN 80 N -4.71 0.21 -0.63 4.20 4.13 -1.26 -4.68 115.26 112.52 1apo n ASN 80 Ca -0.08 -0.38 -0.06 0.00 1.68 0.00 0.00 54.58 55.74 1apo n ASN 80 Cb 0.32 -0.17 -0.01 0.00 -1.54 0.00 0.00 39.78 38.37 1apo n ASN 80 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1apo h GLU 82 N 0.00 0.00 -7.20 0.00 4.11 -1.52 -3.37 114.58 106.60 1apo h GLU 82 Ca -0.14 0.00 -0.48 0.00 0.07 0.00 0.00 59.36 58.82 1apo h GLU 82 Cb 0.92 0.00 0.06 0.00 0.50 0.00 0.00 28.75 30.23 1apo h GLU 82 CO 0.17 0.02 0.22 -0.06 0.07 0.00 0.00 179.01 179.44 1apo s PHE 83 N -4.26 3.23 -0.21 2.06 0.08 -0.23 -4.89 117.98 113.76 1apo s PHE 83 Ca -0.04 0.70 0.15 0.00 0.12 0.00 0.00 56.93 57.86 1apo s PHE 83 Cb 0.13 -2.84 0.46 0.00 -0.57 0.00 0.00 43.02 40.20 1apo s PHE 83 CO 0.50 -0.95 1.17 0.45 -0.10 0.00 0.00 175.22 176.29 1apo n SER 84 N -2.70 2.63 -0.70 1.36 2.88 -1.25 -2.87 113.62 112.97 1apo n SER 84 Ca 0.05 -3.05 -0.03 0.00 -1.33 0.00 0.00 58.87 54.51 1apo n SER 84 Cb 0.58 -0.41 -0.01 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 -0.57 0.00 0.74 2.46 -2.24 -1.23 -4.63 114.28 108.81 1apo n THR 85 Ca 0.22 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 62.06 1apo n THR 85 Cb 0.89 -0.35 0.35 0.00 -2.10 0.00 0.00 70.33 69.13 1apo n THR 85 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39