#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 1.81 0.98 3.14 1.01 -1.26 -5.14 116.67 117.21 1ccf s ASP 46 Ca 0.00 -0.29 0.00 0.00 0.71 0.00 0.00 52.55 52.97 1ccf s ASP 46 Cb 0.00 -0.35 0.00 0.00 1.01 0.00 0.00 42.92 43.58 1ccf s ASP 46 CO 0.00 0.16 0.00 0.61 0.21 0.00 0.00 175.17 176.15 1ccf n GLY 47 N 2.95 -1.58 3.56 0.21 0.00 -1.26 -4.99 105.19 104.08 1ccf n GLY 47 Ca -0.16 -1.59 -0.39 0.00 0.00 0.00 0.00 46.02 43.88 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 -1.18 5.99 0.00 1.61 1.01 -1.26 -4.91 116.67 117.94 1ccf s ASP 48 Ca 0.00 -0.15 0.23 0.00 0.71 0.00 0.00 52.55 53.34 1ccf s ASP 48 Cb 0.00 -2.12 0.12 0.00 1.01 0.00 0.00 42.92 41.94 1ccf s ASP 48 CO 0.00 -0.11 1.15 0.00 0.21 0.00 0.00 175.17 176.42 1ccf n GLN 49 N 5.07 0.30 -0.01 8.23 3.00 -1.26 -4.20 117.38 128.50 1ccf n GLN 49 Ca -0.14 -0.22 0.10 0.00 -0.01 0.00 0.00 57.00 56.73 1ccf n GLN 49 Cb 0.51 -1.50 -0.15 0.00 0.00 0.00 0.00 30.24 29.11 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 -2.15 0.74 -0.45 0.00 2.13 -1.26 -2.23 120.64 117.41 1ccf n GLU 51 Ca -0.03 0.00 0.09 0.00 0.66 0.00 0.00 57.16 57.88 1ccf n GLU 51 Cb 0.50 -1.15 0.31 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 0.20 2.27 3.58 8.31 0.00 -1.26 -4.94 105.19 113.35 1ccf n GLY 52 Ca 0.00 -0.74 -0.20 0.00 0.00 0.00 0.00 46.02 45.08 1ccf n GLY 52 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1ccf n HIS 53 N 1.20 -2.35 0.05 1.61 8.25 -0.95 -4.89 115.22 118.15 1ccf n HIS 53 Ca 0.23 0.95 -0.15 0.00 -0.26 0.00 0.00 57.72 58.48 1ccf n HIS 53 Cb 0.69 -3.04 -0.14 0.00 1.12 0.00 0.00 29.99 28.63 1ccf n HIS 53 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1ccf h PRO 54 N 0.14 0.20 -6.51 -0.41 0.13 -1.86 -3.46 132.00 120.22 1ccf h PRO 54 Ca -0.47 -0.34 -0.51 0.00 -0.87 0.00 0.00 66.00 63.81 1ccf h PRO 54 Cb 1.30 0.13 -0.00 0.00 0.13 0.00 0.00 31.00 32.56 1ccf h PRO 54 CO 0.34 1.05 -0.14 0.00 -0.23 0.00 0.00 178.00 179.01 1ccf s LEU 56 N -3.80 3.13 -0.53 0.00 1.43 0.77 -4.52 118.68 115.15 1ccf s LEU 56 Ca 0.43 -0.86 -0.12 0.00 -1.03 0.00 0.00 54.13 52.55 1ccf s LEU 56 Cb -0.10 -1.73 0.02 0.00 0.03 0.00 0.00 46.19 44.40 1ccf s LEU 56 CO 0.32 -1.12 0.32 0.59 0.23 0.00 0.00 176.35 176.69 1ccf n ASN 57 N -2.00 -2.12 -3.69 2.29 3.02 -1.26 -1.02 115.26 110.47 1ccf n ASN 57 Ca 0.09 -0.59 -0.26 0.00 -0.03 0.00 0.00 54.58 53.79 1ccf n ASN 57 Cb 0.62 -0.78 0.03 0.00 -0.61 0.00 0.00 39.78 39.04 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 -2.50 -2.58 -1.75 3.52 1.13 -1.26 -4.92 117.38 109.02 1ccf n GLN 58 Ca -0.09 0.52 -0.29 0.00 -1.94 0.00 0.00 57.00 55.20 1ccf n GLN 58 Cb 0.30 -4.61 0.13 0.00 0.11 0.00 0.00 30.24 26.17 1ccf n GLN 58 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1ccf s GLY 59 N -3.84 1.63 -0.98 1.08 0.00 -0.19 -4.58 107.32 100.43 1ccf s GLY 59 Ca 0.27 -0.75 -0.17 0.00 0.00 0.00 0.00 44.72 44.07 1ccf s GLY 59 CO 0.84 -0.16 1.16 -1.58 0.00 0.00 0.00 173.10 173.36 1ccf s HIS 60 N -3.53 3.29 -0.17 1.90 2.46 0.13 -4.91 115.29 114.46 1ccf s HIS 60 Ca 0.66 -1.64 -0.21 0.00 0.47 0.00 0.00 55.06 54.34 1ccf s HIS 60 Cb -0.10 -4.23 -0.03 0.00 -0.13 0.00 0.00 32.58 28.09 1ccf s HIS 60 CO 0.52 -1.41 0.63 0.00 -2.47 0.00 0.00 174.74 172.01 1ccf n LYS 62 N 4.72 0.56 0.00 0.00 3.00 -1.02 -5.04 118.16 120.38 1ccf n LYS 62 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.29 1ccf n LYS 62 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.53 1ccf n LYS 62 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1ccf n GLY 64 N 0.70 0.97 3.26 3.14 0.00 -0.79 -2.06 105.19 110.40 1ccf n GLY 64 Ca 0.00 0.38 -0.43 0.00 0.00 0.00 0.00 46.02 45.97 1ccf n GLY 64 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1ccf n ILE 65 N 0.00 4.24 0.00 -0.61 5.41 -1.26 -4.68 119.36 122.46 1ccf n ILE 65 Ca 0.00 -4.53 0.00 0.00 1.00 0.00 0.00 62.75 59.22 1ccf n ILE 65 Cb 0.00 -2.43 0.00 0.00 -0.71 0.00 0.00 39.64 36.50 1ccf n ILE 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1ccf n GLY 66 N 3.77 2.13 3.78 7.39 0.00 -1.26 -4.89 105.19 116.10 1ccf n GLY 66 Ca 0.39 -0.05 -0.30 0.00 0.00 0.00 0.00 46.02 46.06 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 4.10 0.23 1.61 1.01 -1.26 -4.77 116.67 117.59 1ccf s ASP 67 Ca 0.00 1.31 0.10 0.00 0.71 0.00 0.00 52.55 54.67 1ccf s ASP 67 Cb 0.00 -2.01 -0.04 0.00 1.01 0.00 0.00 42.92 41.87 1ccf s ASP 67 CO 0.00 -2.22 -0.08 -0.72 0.21 0.00 0.00 175.17 172.36 1ccf s TYR 68 N -3.11 2.60 -0.05 4.23 1.13 -1.26 -1.89 117.35 118.99 1ccf s TYR 68 Ca 0.62 -0.24 0.04 0.00 -1.41 0.00 0.00 57.07 56.08 1ccf s TYR 68 Cb -0.15 -1.20 -0.00 0.00 -1.10 0.00 0.00 41.96 39.50 1ccf s TYR 68 CO 0.55 0.59 -0.18 0.95 -2.51 0.00 0.00 175.55 174.94 1ccf s THR 69 N -2.06 1.55 -0.14 -3.49 -4.23 -0.87 -4.92 115.64 101.47 1ccf s THR 69 Ca 0.28 -0.77 -0.03 0.00 -1.18 0.00 0.00 61.69 59.99 1ccf s THR 69 Cb -0.07 -1.33 -0.03 0.00 1.34 0.00 0.00 72.50 72.41 1ccf s THR 69 CO 0.17 0.44 -0.03 0.00 -0.54 0.00 0.00 174.62 174.66 1ccf s THR 71 N 0.07 1.68 0.36 0.00 -4.23 -0.71 -4.94 115.64 107.86 1ccf s THR 71 Ca 0.00 -0.73 -0.26 0.00 -1.18 0.00 0.00 61.69 59.52 1ccf s THR 71 Cb -0.13 -1.53 -0.09 0.00 1.34 0.00 0.00 72.50 72.08 1ccf s THR 71 CO 0.03 0.48 1.06 0.00 -0.54 0.00 0.00 174.62 175.64 1ccf s ALA 73 N -1.49 1.38 0.24 0.00 0.00 -1.26 -4.80 121.76 115.82 1ccf s ALA 73 Ca 0.53 -0.47 -0.31 0.00 0.00 0.00 0.00 51.96 51.71 1ccf s ALA 73 Cb -0.25 -3.06 -0.12 0.00 0.00 0.00 0.00 23.12 19.68 1ccf s ALA 73 CO 0.32 -2.56 1.64 -1.91 0.00 0.00 0.00 175.76 173.25 1ccf n GLU 74 N -3.97 2.66 0.00 0.00 2.13 -1.26 -0.91 120.64 119.28 1ccf n GLU 74 Ca 0.06 0.95 0.00 0.00 0.66 0.00 0.00 57.16 58.83 1ccf n GLU 74 Cb 0.58 -2.76 0.00 0.00 0.27 0.00 0.00 31.44 29.54 1ccf n GLU 74 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1ccf n GLY 75 N 3.07 3.10 3.38 8.31 0.00 -1.26 -5.05 105.19 116.74 1ccf n GLY 75 Ca 0.13 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.71 2.17 -0.30 1.61 0.08 -0.09 -2.11 117.98 116.63 1ccf s PHE 76 Ca 0.00 -0.39 -0.11 0.00 0.12 0.00 0.00 56.93 56.55 1ccf s PHE 76 Cb 0.00 -1.12 0.13 0.00 -0.57 0.00 0.00 43.02 41.46 1ccf s PHE 76 CO 0.00 0.39 0.71 -2.00 -0.10 0.00 0.00 175.22 174.22 1ccf s GLU 77 N -2.39 0.54 0.00 0.44 2.12 -0.90 -4.43 118.70 114.09 1ccf s GLU 77 Ca 0.16 1.31 0.00 0.00 0.36 0.00 0.00 54.97 56.80 1ccf s GLU 77 Cb -0.09 0.73 0.00 0.00 0.26 0.00 0.00 34.13 35.03 1ccf s GLU 77 CO 0.07 -0.18 0.00 0.41 -0.54 0.00 0.00 175.26 175.03 1ccf n GLY 78 N 5.24 0.67 0.39 -1.50 0.00 -1.26 -3.72 105.19 105.01 1ccf n GLY 78 Ca -0.12 -1.14 -0.05 0.00 0.00 0.00 0.00 46.02 44.71 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 -0.07 -0.20 1.61 1.63 -2.00 -1.01 116.57 116.53 1ccf h LYS 79 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1ccf h LYS 79 Cb 0.00 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.65 1ccf h LYS 79 CO 0.00 -0.05 0.00 0.09 -3.45 0.00 0.00 179.45 176.04 1ccf n ASN 80 N -5.41 3.22 -0.55 4.20 3.02 -1.26 -4.93 115.26 113.55 1ccf n ASN 80 Ca 0.06 -2.74 -0.04 0.00 -0.03 0.00 0.00 54.58 51.84 1ccf n ASN 80 Cb 0.36 -0.41 0.00 0.00 -0.61 0.00 0.00 39.78 39.12 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 -0.11 0.01 -6.78 0.00 4.81 -1.82 -3.42 114.58 107.26 1ccf h GLU 82 Ca -0.08 -0.01 -0.48 0.00 -0.13 0.00 0.00 59.36 58.65 1ccf h GLU 82 Cb 1.06 0.00 0.03 0.00 0.63 0.00 0.00 28.75 30.47 1ccf h GLU 82 CO 0.10 0.71 -0.00 -0.06 -0.73 0.00 0.00 179.01 179.02 1ccf s PHE 83 N -3.42 3.52 -0.63 0.92 0.08 -1.24 -4.97 117.98 112.22 1ccf s PHE 83 Ca -0.01 0.62 0.06 0.00 0.12 0.00 0.00 56.93 57.72 1ccf s PHE 83 Cb 0.12 -2.18 0.25 0.00 -0.57 0.00 0.00 43.02 40.64 1ccf s PHE 83 CO 0.78 -0.16 0.73 -1.13 -0.10 0.00 0.00 175.22 175.33 1ccf n SER 84 N -2.10 3.58 -3.77 1.36 3.41 -1.26 -2.12 113.62 112.72 1ccf n SER 84 Ca -0.01 -3.40 -0.24 0.00 -0.26 0.00 0.00 58.87 54.96 1ccf n SER 84 Cb 0.56 -0.67 -0.03 0.00 -0.26 0.00 0.00 64.21 63.80 1ccf n SER 84 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1ccf n THR 85 N 0.93 -1.02 1.77 6.66 -2.24 -0.90 -4.87 114.28 114.61 1ccf n THR 85 Ca 0.29 -0.34 0.15 0.00 -2.27 0.00 0.00 64.05 61.89 1ccf n THR 85 Cb 0.41 -0.93 0.76 0.00 -2.10 0.00 0.00 70.33 68.47 1ccf n THR 85 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04