#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ccf s ASP 46 N 0.00 7.27 0.00 3.14 1.47 -1.26 -4.95 116.67 122.33 1ccf s ASP 46 Ca 0.00 1.83 0.00 0.00 1.18 0.00 0.00 52.55 55.56 1ccf s ASP 46 Cb 0.00 -2.58 0.00 0.00 -0.34 0.00 0.00 42.92 40.00 1ccf s ASP 46 CO 0.00 -0.12 0.00 0.61 0.68 0.00 0.00 175.17 176.34 1ccf n GLY 47 N 0.41 0.19 3.21 2.12 0.00 -1.26 -5.10 105.19 104.76 1ccf n GLY 47 Ca 0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.77 1ccf n GLY 47 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ccf s ASP 48 N 1.00 2.45 -0.17 1.61 1.11 -1.26 -4.99 116.67 116.42 1ccf s ASP 48 Ca 0.00 -0.38 0.09 0.00 0.18 0.00 0.00 52.55 52.43 1ccf s ASP 48 Cb 0.00 -0.36 -0.23 0.00 1.07 0.00 0.00 42.92 43.40 1ccf s ASP 48 CO 0.00 0.24 0.17 0.00 1.18 0.00 0.00 175.17 176.76 1ccf n GLN 49 N 2.67 0.68 -0.64 8.23 3.00 -1.26 -4.26 117.38 125.80 1ccf n GLN 49 Ca -0.16 0.14 0.04 0.00 -0.01 0.00 0.00 57.00 57.01 1ccf n GLN 49 Cb 0.53 -1.61 0.27 0.00 0.00 0.00 0.00 30.24 29.43 1ccf n GLN 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1ccf n GLU 51 N 0.37 0.66 -0.78 0.00 2.13 -1.26 -2.91 120.64 118.85 1ccf n GLU 51 Ca 0.21 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.03 1ccf n GLU 51 Cb 0.94 -1.27 -0.00 0.00 0.27 0.00 0.00 31.44 31.37 1ccf n GLU 51 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1ccf n GLY 52 N 0.37 0.73 3.38 8.31 0.00 -1.26 -5.06 105.19 111.66 1ccf n GLY 52 Ca 0.00 -0.18 -0.33 0.00 0.00 0.00 0.00 46.02 45.51 1ccf n GLY 52 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1ccf n HIS 53 N 0.11 -2.76 0.03 1.61 -0.00 -1.15 -4.89 115.22 108.18 1ccf n HIS 53 Ca -0.02 1.15 -0.12 0.00 0.46 0.00 0.00 57.72 59.19 1ccf n HIS 53 Cb 0.75 -2.16 -0.14 0.00 -0.12 0.00 0.00 29.99 28.33 1ccf n HIS 53 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1ccf h PRO 54 N 2.14 0.10 -6.46 1.57 0.13 -1.91 -3.45 132.00 124.11 1ccf h PRO 54 Ca -0.45 -0.17 -0.54 0.00 -0.87 0.00 0.00 66.00 63.97 1ccf h PRO 54 Cb 1.32 0.06 -0.03 0.00 0.13 0.00 0.00 31.00 32.48 1ccf h PRO 54 CO 0.22 0.88 0.12 0.00 -0.23 0.00 0.00 178.00 178.99 1ccf s LEU 56 N -1.22 3.67 -1.16 0.00 1.43 0.28 -4.27 118.68 117.41 1ccf s LEU 56 Ca 0.35 -0.44 -0.28 0.00 -1.03 0.00 0.00 54.13 52.73 1ccf s LEU 56 Cb -0.22 -2.54 0.03 0.00 0.03 0.00 0.00 46.19 43.49 1ccf s LEU 56 CO 0.24 -0.65 0.72 0.59 0.23 0.00 0.00 176.35 177.48 1ccf n ASN 57 N -1.72 -4.60 -4.11 2.29 3.02 -1.26 -1.63 115.26 107.25 1ccf n ASN 57 Ca 0.05 -1.18 -0.31 0.00 -0.03 0.00 0.00 54.58 53.11 1ccf n ASN 57 Cb 0.59 -2.23 -0.03 0.00 -0.61 0.00 0.00 39.78 37.50 1ccf n ASN 57 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ccf n GLN 58 N -4.62 -3.03 0.00 3.52 6.02 -1.26 -4.84 117.38 113.17 1ccf n GLN 58 Ca -0.12 0.36 0.00 0.00 -0.01 0.00 0.00 57.00 57.24 1ccf n GLN 58 Cb 0.58 -4.70 0.00 0.00 1.02 0.00 0.00 30.24 27.14 1ccf n GLN 58 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ccf n GLY 59 N -1.78 -0.59 3.84 1.08 0.00 -0.65 -4.59 105.19 102.52 1ccf n GLY 59 Ca -0.14 -1.52 -0.32 0.00 0.00 0.00 0.00 46.02 44.04 1ccf n GLY 59 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1ccf s HIS 60 N 0.00 3.45 -0.13 1.61 -3.43 -0.89 -4.86 115.29 111.03 1ccf s HIS 60 Ca 0.00 1.44 -0.05 0.00 -0.80 0.00 0.00 55.06 55.65 1ccf s HIS 60 Cb 0.00 -2.80 0.07 0.00 -1.43 0.00 0.00 32.58 28.42 1ccf s HIS 60 CO 0.00 -0.47 0.27 0.00 -2.00 0.00 0.00 174.74 172.55 1ccf s LYS 62 N 2.43 1.82 0.00 0.00 -0.14 0.78 -4.88 119.74 119.74 1ccf s LYS 62 Ca 0.01 -2.07 0.00 0.00 -1.36 0.00 0.00 55.97 52.55 1ccf s LYS 62 Cb -0.12 0.16 0.00 0.00 -1.68 0.00 0.00 37.83 36.19 1ccf s LYS 62 CO -0.09 -0.64 0.00 0.41 -0.76 0.00 0.00 175.35 174.27 1ccf n GLY 64 N -0.70 1.94 3.24 -3.33 0.00 -0.95 -1.30 105.19 104.09 1ccf n GLY 64 Ca 0.05 0.24 -0.43 0.00 0.00 0.00 0.00 46.02 45.89 1ccf n GLY 64 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ccf s ILE 65 N 1.81 4.62 0.00 -0.61 1.01 -1.26 -4.80 121.20 121.97 1ccf s ILE 65 Ca 0.00 -1.87 0.00 0.00 0.00 0.00 0.00 60.65 58.78 1ccf s ILE 65 Cb 0.00 -3.99 0.00 0.00 0.01 0.00 0.00 42.46 38.48 1ccf s ILE 65 CO 0.00 -0.84 0.00 0.61 0.00 0.00 0.00 174.94 174.71 1ccf n GLY 66 N 4.79 2.07 3.90 6.18 0.00 -1.26 -4.91 105.19 115.96 1ccf n GLY 66 Ca -0.06 -0.23 -0.29 0.00 0.00 0.00 0.00 46.02 45.44 1ccf n GLY 66 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ccf s ASP 67 N 0.00 5.18 0.11 1.61 1.01 -1.26 -4.83 116.67 118.49 1ccf s ASP 67 Ca 0.00 0.92 0.09 0.00 0.71 0.00 0.00 52.55 54.27 1ccf s ASP 67 Cb 0.00 -1.66 -0.04 0.00 1.01 0.00 0.00 42.92 42.24 1ccf s ASP 67 CO 0.00 -1.46 -0.23 -0.72 0.21 0.00 0.00 175.17 172.97 1ccf s TYR 68 N -3.35 1.96 -0.14 4.23 1.13 -1.26 -2.24 117.35 117.68 1ccf s TYR 68 Ca 0.59 -0.41 0.02 0.00 -1.41 0.00 0.00 57.07 55.86 1ccf s TYR 68 Cb -0.11 -1.06 0.01 0.00 -1.10 0.00 0.00 41.96 39.70 1ccf s TYR 68 CO 0.49 0.25 -0.20 0.95 -2.51 0.00 0.00 175.55 174.53 1ccf s THR 69 N -1.16 1.96 0.04 -3.49 -4.23 -0.42 -4.92 115.64 103.42 1ccf s THR 69 Ca 0.09 -0.91 0.04 0.00 -1.18 0.00 0.00 61.69 59.72 1ccf s THR 69 Cb -0.10 -1.75 -0.04 0.00 1.34 0.00 0.00 72.50 71.96 1ccf s THR 69 CO 0.05 0.53 -0.03 0.00 -0.54 0.00 0.00 174.62 174.63 1ccf s THR 71 N -1.13 3.81 0.46 0.00 2.01 -1.26 -4.84 115.64 114.69 1ccf s THR 71 Ca 0.21 -1.65 -0.25 0.00 0.31 0.00 0.00 61.69 60.30 1ccf s THR 71 Cb -0.11 -3.42 -0.08 0.00 0.01 0.00 0.00 72.50 68.90 1ccf s THR 71 CO 0.12 -0.56 1.41 0.00 -0.69 0.00 0.00 174.62 174.90 1ccf s ALA 73 N -1.22 1.06 -0.70 0.00 0.00 -1.26 -4.83 121.76 114.81 1ccf s ALA 73 Ca 0.63 -0.15 -0.26 0.00 0.00 0.00 0.00 51.96 52.18 1ccf s ALA 73 Cb -0.43 -3.18 -0.04 0.00 0.00 0.00 0.00 23.12 19.47 1ccf s ALA 73 CO 0.55 -2.75 1.96 -2.00 0.00 0.00 0.00 175.76 173.52 1ccf s GLU 74 N -4.87 2.51 0.00 0.00 2.12 -1.26 -1.39 118.70 115.80 1ccf s GLU 74 Ca 0.65 0.41 0.00 0.00 0.36 0.00 0.00 54.97 56.39 1ccf s GLU 74 Cb -0.19 -4.63 0.00 0.00 0.26 0.00 0.00 34.13 29.57 1ccf s GLU 74 CO 0.58 -3.06 0.00 0.41 -0.54 0.00 0.00 175.26 172.65 1ccf n GLY 75 N 6.12 2.66 3.70 -1.50 0.00 -1.26 -5.10 105.19 109.81 1ccf n GLY 75 Ca 0.29 -0.30 -0.24 0.00 0.00 0.00 0.00 46.02 45.76 1ccf n GLY 75 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ccf s PHE 76 N 0.00 2.61 -0.28 1.61 0.08 -0.49 -1.04 117.98 120.47 1ccf s PHE 76 Ca 0.00 -0.48 -0.04 0.00 0.12 0.00 0.00 56.93 56.53 1ccf s PHE 76 Cb 0.00 -1.70 0.16 0.00 -0.57 0.00 0.00 43.02 40.91 1ccf s PHE 76 CO 0.00 0.34 0.55 -2.00 -0.10 0.00 0.00 175.22 174.01 1ccf s GLU 77 N -3.82 0.51 0.00 0.44 2.12 -0.87 -4.47 118.70 112.62 1ccf s GLU 77 Ca 0.38 1.01 0.00 0.00 0.36 0.00 0.00 54.97 56.71 1ccf s GLU 77 Cb 0.01 0.40 0.00 0.00 0.26 0.00 0.00 34.13 34.80 1ccf s GLU 77 CO 0.21 -0.51 0.00 0.41 -0.54 0.00 0.00 175.26 174.83 1ccf n GLY 78 N 5.42 0.34 0.42 -1.50 0.00 -1.26 -3.26 105.19 105.34 1ccf n GLY 78 Ca -0.04 -1.13 -0.11 0.00 0.00 0.00 0.00 46.02 44.74 1ccf n GLY 78 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1ccf h LYS 79 N 0.00 -0.28 -0.42 1.61 3.64 -2.00 -1.76 116.57 117.35 1ccf h LYS 79 Ca 0.00 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1ccf h LYS 79 Cb 0.00 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 1ccf h LYS 79 CO 0.00 -0.19 0.00 0.09 -2.27 0.00 0.00 179.45 177.08 1ccf n ASN 80 N -5.39 4.46 -0.25 4.20 3.02 -1.26 -4.86 115.26 115.17 1ccf n ASN 80 Ca -0.00 -2.80 -0.03 0.00 -0.03 0.00 0.00 54.58 51.71 1ccf n ASN 80 Cb 0.34 -0.56 -0.01 0.00 -0.61 0.00 0.00 39.78 38.94 1ccf n ASN 80 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ccf h GLU 82 N 0.12 0.31 -6.90 0.00 4.81 -1.82 -3.39 114.58 107.71 1ccf h GLU 82 Ca -0.07 -0.05 -0.45 0.00 -0.13 0.00 0.00 59.36 58.66 1ccf h GLU 82 Cb 0.24 -0.05 0.05 0.00 0.63 0.00 0.00 28.75 29.62 1ccf h GLU 82 CO 0.10 0.36 0.01 -0.06 -0.73 0.00 0.00 179.01 178.69 1ccf s PHE 83 N -4.95 3.00 0.19 0.92 0.08 -1.20 -4.96 117.98 111.06 1ccf s PHE 83 Ca -0.06 0.19 0.10 0.00 0.12 0.00 0.00 56.93 57.28 1ccf s PHE 83 Cb 0.16 -2.71 -0.04 0.00 -0.57 0.00 0.00 43.02 39.86 1ccf s PHE 83 CO 0.73 -0.82 -0.18 -1.54 -0.10 0.00 0.00 175.22 173.31 1ccf s SER 84 N -4.37 3.79 -0.31 1.36 1.04 -1.26 -2.04 113.70 111.90 1ccf s SER 84 Ca 0.55 -0.76 0.01 0.00 0.48 0.00 0.00 55.95 56.23 1ccf s SER 84 Cb -0.10 -0.45 0.33 0.00 0.10 0.00 0.00 66.02 65.89 1ccf s SER 84 CO 0.40 0.11 1.72 0.35 0.98 0.00 0.00 173.24 176.80 1ccf n THR 85 N 0.10 2.52 0.12 2.02 -2.24 -0.21 -4.80 114.28 111.79 1ccf n THR 85 Ca -0.11 -1.40 0.01 0.00 -2.27 0.00 0.00 64.05 60.28 1ccf n THR 85 Cb 0.56 -0.94 0.01 0.00 -2.10 0.00 0.00 70.33 67.86 1ccf n THR 85 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36