#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 1.80 -3.11 3.14 9.92 -1.26 -5.06 116.55 121.99 1apo n ASP 46 Ca 0.00 0.03 0.04 0.00 -0.53 0.00 0.00 54.79 54.34 1apo n ASP 46 Cb 0.00 -0.17 0.00 0.00 -0.64 0.00 0.00 41.12 40.31 1apo n ASP 46 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 1apo s GLY 47 N -4.93 -1.12 -0.00 0.44 0.00 -1.26 -4.97 107.32 95.48 1apo s GLY 47 Ca -0.10 1.61 0.16 0.00 0.00 0.00 0.00 44.72 46.40 1apo s GLY 47 CO 0.14 4.00 0.68 2.09 0.00 0.00 0.00 173.10 180.01 1apo n ASP 48 N 4.96 0.80 0.00 1.64 5.75 -1.26 -4.84 116.55 123.60 1apo n ASP 48 Ca 0.08 -0.82 0.00 0.00 -0.01 0.00 0.00 54.79 54.04 1apo n ASP 48 Cb 0.57 1.06 0.00 0.00 -1.03 0.00 0.00 41.12 41.72 1apo n ASP 48 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1apo n GLN 49 N -1.44 -1.41 -0.46 0.11 1.13 -1.26 -4.55 117.38 109.50 1apo n GLN 49 Ca 0.03 0.12 0.09 0.00 -1.94 0.00 0.00 57.00 55.29 1apo n GLN 49 Cb 0.27 -2.97 0.26 0.00 0.11 0.00 0.00 30.24 27.92 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 -2.82 4.40 -0.24 0.00 2.12 -1.26 -3.46 118.70 117.43 1apo s GLU 51 Ca 0.43 1.67 -0.00 0.00 0.36 0.00 0.00 54.97 57.42 1apo s GLU 51 Cb 0.34 -2.88 0.00 0.00 0.26 0.00 0.00 34.13 31.86 1apo s GLU 51 CO 0.09 0.03 0.21 0.41 -0.54 0.00 0.00 175.26 175.46 1apo n GLY 52 N 0.80 0.37 0.19 -1.50 0.00 -1.26 -4.52 105.19 99.26 1apo n GLY 52 Ca 0.02 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.64 1apo n GLY 52 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1apo n HIS 53 N -1.93 0.00 -0.04 1.61 8.25 -1.22 -4.76 115.22 117.12 1apo n HIS 53 Ca -0.04 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.20 1apo n HIS 53 Cb 0.53 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.51 1apo n HIS 53 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 1apo n PRO 54 N 0.28 0.69 -2.52 -0.41 -0.02 -1.26 -4.86 135.00 126.90 1apo n PRO 54 Ca 0.00 0.33 -0.33 0.00 -2.02 0.00 0.00 63.50 61.48 1apo n PRO 54 Cb 0.00 -1.69 -0.04 0.00 -0.02 0.00 0.00 33.50 31.75 1apo n PRO 54 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1apo s LEU 56 N -3.70 3.37 -0.99 0.00 1.43 -0.07 -4.49 118.68 114.24 1apo s LEU 56 Ca 0.63 -0.67 -0.13 0.00 -1.03 0.00 0.00 54.13 52.93 1apo s LEU 56 Cb -0.12 -2.13 0.00 0.00 0.03 0.00 0.00 46.19 43.97 1apo s LEU 56 CO 0.23 -0.96 0.71 0.59 0.23 0.00 0.00 176.35 177.15 1apo n ASN 57 N -1.93 -5.48 -2.07 2.29 3.02 -1.26 -0.87 115.26 108.95 1apo n ASN 57 Ca 0.09 -0.87 -0.07 0.00 -0.03 0.00 0.00 54.58 53.70 1apo n ASN 57 Cb 0.61 -3.00 -0.01 0.00 -0.61 0.00 0.00 39.78 36.76 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 -3.42 -2.11 -2.54 3.52 6.02 -1.26 -4.58 117.38 113.01 1apo n GLN 58 Ca -0.15 0.37 -0.42 0.00 -0.01 0.00 0.00 57.00 56.80 1apo n GLN 58 Cb 0.60 -4.80 -0.03 0.00 1.02 0.00 0.00 30.24 27.03 1apo n GLN 58 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1apo s GLY 59 N -1.89 2.72 0.81 1.08 0.00 -0.05 -4.61 107.32 105.38 1apo s GLY 59 Ca 0.00 0.75 -0.12 0.00 0.00 0.00 0.00 44.72 45.35 1apo s GLY 59 CO 0.00 1.78 1.14 0.30 0.00 0.00 0.00 173.10 176.32 1apo s HIS 60 N 0.49 2.90 -0.13 1.90 3.76 -0.57 -4.61 115.29 119.02 1apo s HIS 60 Ca 0.53 0.91 -0.05 0.00 -0.15 0.00 0.00 55.06 56.29 1apo s HIS 60 Cb -0.27 -3.32 0.06 0.00 1.11 0.00 0.00 32.58 30.16 1apo s HIS 60 CO 0.31 -1.80 0.28 0.00 -0.85 0.00 0.00 174.74 172.68 1apo n LYS 62 N 4.95 3.50 -3.97 0.00 5.02 -0.90 -4.91 118.16 121.85 1apo n LYS 62 Ca -0.13 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.07 1apo n LYS 62 Cb 0.51 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 35.44 1apo n LYS 62 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1apo s ASP 63 N -1.00 0.22 0.18 4.39 2.15 -1.26 -4.39 116.67 116.96 1apo s ASP 63 Ca 0.00 -0.85 -0.24 0.00 0.43 0.00 0.00 52.55 51.90 1apo s ASP 63 Cb 0.00 0.32 0.07 0.00 -0.30 0.00 0.00 42.92 43.01 1apo s ASP 63 CO 0.00 -0.73 0.98 -0.83 -0.17 0.00 0.00 175.17 174.42 1apo s GLY 64 N -2.92 -0.08 -0.20 2.66 0.00 -1.26 -4.74 107.32 100.78 1apo s GLY 64 Ca 0.10 -0.08 0.02 0.00 0.00 0.00 0.00 44.72 44.76 1apo s GLY 64 CO -0.07 0.79 1.41 1.39 0.00 0.00 0.00 173.10 176.62 1apo n ILE 65 N -0.55 1.97 0.00 0.90 5.41 -1.26 -4.19 119.36 121.64 1apo n ILE 65 Ca -0.05 -0.85 0.00 0.00 1.00 0.00 0.00 62.75 62.85 1apo n ILE 65 Cb 0.60 -0.77 0.00 0.00 -0.71 0.00 0.00 39.64 38.76 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 -0.22 -2.06 0.56 7.39 0.00 -1.26 -5.12 105.19 104.48 1apo n GLY 66 Ca 0.26 1.01 0.00 0.00 0.00 0.00 0.00 46.02 47.29 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 -3.82 -2.57 1.61 8.00 -1.26 -5.00 116.55 113.51 1apo n ASP 67 Ca 0.00 0.43 0.00 0.00 0.71 0.00 0.00 54.79 55.93 1apo n ASP 67 Cb 0.00 -0.97 0.00 0.00 -0.02 0.00 0.00 41.12 40.13 1apo n ASP 67 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1apo n TYR 68 N -0.74 -2.02 -4.24 1.24 4.11 -1.26 -3.98 117.16 110.26 1apo n TYR 68 Ca 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 57.90 57.73 1apo n TYR 68 Cb 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 39.34 39.21 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 -0.52 0.70 0.14 -3.48 -4.23 -1.26 -4.88 115.64 102.11 1apo s THR 69 Ca 0.00 -0.67 -0.15 0.00 -1.18 0.00 0.00 61.69 59.69 1apo s THR 69 Cb 0.00 -0.64 -0.07 0.00 1.34 0.00 0.00 72.50 73.13 1apo s THR 69 CO 0.00 -0.01 0.56 0.00 -0.54 0.00 0.00 174.62 174.63 1apo s THR 71 N -1.41 1.81 0.27 0.00 2.01 -0.33 -4.99 115.64 113.00 1apo s THR 71 Ca 0.36 -1.54 -0.29 0.00 0.31 0.00 0.00 61.69 60.54 1apo s THR 71 Cb -0.16 -2.08 -0.09 0.00 0.01 0.00 0.00 72.50 70.18 1apo s THR 71 CO 0.19 -0.19 0.96 0.00 -0.69 0.00 0.00 174.62 174.89 1apo s ALA 73 N -1.29 1.34 -0.21 0.00 0.00 -1.26 -4.75 121.76 115.59 1apo s ALA 73 Ca 0.44 0.01 -0.34 0.00 0.00 0.00 0.00 51.96 52.06 1apo s ALA 73 Cb -0.25 -3.23 -0.11 0.00 0.00 0.00 0.00 23.12 19.54 1apo s ALA 73 CO 0.31 -2.54 2.03 -1.91 0.00 0.00 0.00 175.76 173.64 1apo n GLU 74 N -4.02 1.69 0.00 0.00 2.13 -1.26 -1.30 120.64 117.87 1apo n GLU 74 Ca 0.07 0.56 0.00 0.00 0.66 0.00 0.00 57.16 58.45 1apo n GLU 74 Cb 0.55 -2.63 0.00 0.00 0.27 0.00 0.00 31.44 29.62 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 5.32 1.37 3.06 8.31 0.00 -1.26 -5.07 105.19 116.91 1apo n GLY 75 Ca 0.30 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.23 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 0.27 0.00 1.61 0.08 -0.42 -2.63 117.98 114.89 1apo s PHE 76 Ca 0.00 -0.59 0.00 0.00 0.12 0.00 0.00 56.93 56.46 1apo s PHE 76 Cb 0.00 -0.20 0.00 0.00 -0.57 0.00 0.00 43.02 42.25 1apo s PHE 76 CO 0.00 -0.29 0.00 -0.85 -0.10 0.00 0.00 175.22 173.98 1apo n GLU 77 N 1.03 0.00 0.00 0.44 0.28 0.66 -4.66 120.64 118.38 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 0.57 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.44 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 -0.71 0.30 -1.84 0.00 -1.26 0.47 105.19 102.14 1apo n GLY 78 Ca 0.00 -1.68 0.12 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 0.00 0.00 -0.33 1.61 3.64 -2.01 -1.43 116.57 118.05 1apo h LYS 79 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1apo h LYS 79 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1apo h LYS 79 CO 0.00 0.00 0.00 0.09 -2.27 0.00 0.00 179.45 177.27 1apo n ASN 80 N -4.47 4.26 -2.19 4.20 3.02 -1.26 -4.82 115.26 113.99 1apo n ASN 80 Ca 0.01 -2.97 -0.21 0.00 -0.03 0.00 0.00 54.58 51.38 1apo n ASN 80 Cb 0.25 -0.57 -0.03 0.00 -0.61 0.00 0.00 39.78 38.83 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 0.28 -5.50 0.00 4.81 1.01 -3.33 114.58 111.85 1apo h GLU 82 Ca -0.48 -0.03 -0.62 0.00 -0.13 0.00 0.00 59.36 58.09 1apo h GLU 82 Cb 1.37 -0.05 -0.09 0.00 0.63 0.00 0.00 28.75 30.60 1apo h GLU 82 CO 0.60 0.27 -0.43 -0.59 -0.73 0.00 0.00 179.01 178.12 1apo s PHE 83 N -5.86 3.51 -0.58 0.92 -0.12 0.11 -4.66 117.98 111.30 1apo s PHE 83 Ca -0.13 0.50 -0.28 0.00 -0.05 0.00 0.00 56.93 56.96 1apo s PHE 83 Cb 0.08 -2.13 0.03 0.00 -0.63 0.00 0.00 43.02 40.37 1apo s PHE 83 CO 0.70 0.46 1.22 -1.54 -0.05 0.00 0.00 175.22 176.01 1apo s SER 84 N -0.20 6.41 0.29 1.98 1.04 -1.26 -0.25 113.70 121.71 1apo s SER 84 Ca 0.13 0.14 0.03 0.00 0.48 0.00 0.00 55.95 56.73 1apo s SER 84 Cb -0.12 -2.55 0.74 0.00 0.10 0.00 0.00 66.02 64.18 1apo s SER 84 CO 0.02 -1.51 1.67 0.71 0.98 0.00 0.00 173.24 175.11 1apo h THR 85 N 6.19 0.38 0.00 2.02 1.35 -1.83 -3.49 112.91 117.52 1apo h THR 85 Ca -0.25 -0.10 0.00 0.00 -0.55 0.00 0.00 66.41 65.51 1apo h THR 85 Cb 1.06 0.07 0.00 0.00 -1.73 0.00 0.00 68.15 67.55 1apo h THR 85 CO 1.19 0.05 0.00 -1.14 -0.25 0.00 0.00 175.52 175.37