#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 6.03 -0.01 4.39 1.11 -1.26 -4.93 116.67 122.01 1ccf s ASP 46 Ca 0.00 -0.08 -0.03 0.00 0.18 0.00 0.00 52.55 52.62 1ccf s ASP 46 Cb 0.00 -2.12 -0.01 0.00 1.07 0.00 0.00 42.92 41.86 1ccf s ASP 46 CO 0.00 -0.09 -0.06 0.61 1.18 0.00 0.00 175.17 176.82 1ccf n GLY 47 N 5.07 -0.18 3.21 0.21 0.00 -1.26 -5.01 105.19 107.23 1ccf n GLY 47 Ca -0.14 -0.05 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 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 -5.16 2.80 0.03 1.61 1.01 -1.26 -4.99 116.67 110.72 1ccf s ASP 48 Ca -0.05 -0.48 0.22 0.00 0.71 0.00 0.00 52.55 52.96 1ccf s ASP 48 Cb 0.01 -0.97 -0.08 0.00 1.01 0.00 0.00 42.92 42.89 1ccf s ASP 48 CO 0.07 0.19 0.89 0.00 0.21 0.00 0.00 175.17 176.53 1ccf n GLN 49 N 3.22 0.34 -0.13 8.23 3.00 -1.26 -4.24 117.38 126.54 1ccf n GLN 49 Ca -0.18 -0.04 0.09 0.00 -0.01 0.00 0.00 57.00 56.86 1ccf n GLN 49 Cb 0.52 -1.57 0.13 0.00 0.00 0.00 0.00 30.24 29.32 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 -1.30 0.75 -0.73 0.00 2.13 -1.26 -2.78 120.64 117.44 1ccf n GLU 51 Ca 0.15 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.95 1ccf n GLU 51 Cb 0.65 -1.13 -0.02 0.00 0.27 0.00 0.00 31.44 31.22 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 0.95 0.78 3.41 8.31 0.00 -1.26 -5.05 105.19 112.32 1ccf n GLY 52 Ca 0.00 -0.09 -0.23 0.00 0.00 0.00 0.00 46.02 45.70 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 0.05 -2.68 0.07 1.61 -0.00 -1.12 -4.88 115.22 108.27 1ccf n HIS 53 Ca -0.06 1.09 -0.14 0.00 0.46 0.00 0.00 57.72 59.06 1ccf n HIS 53 Cb 0.66 -2.90 -0.14 0.00 -0.12 0.00 0.00 29.99 27.50 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 1.05 0.20 -7.36 1.57 0.13 -1.90 -3.46 132.00 122.24 1ccf h PRO 54 Ca -0.39 -0.34 -0.49 0.00 -0.87 0.00 0.00 66.00 63.91 1ccf h PRO 54 Cb 1.27 0.13 0.13 0.00 0.13 0.00 0.00 31.00 32.65 1ccf h PRO 54 CO 0.28 1.09 0.29 0.00 -0.23 0.00 0.00 178.00 179.43 1ccf s LEU 56 N -6.02 3.03 -1.00 0.00 1.43 0.44 -4.65 118.68 111.91 1ccf s LEU 56 Ca 0.62 -1.15 -0.20 0.00 -1.03 0.00 0.00 54.13 52.37 1ccf s LEU 56 Cb -0.17 -1.32 0.03 0.00 0.03 0.00 0.00 46.19 44.76 1ccf s LEU 56 CO 0.56 -0.57 0.38 0.59 0.23 0.00 0.00 176.35 177.53 1ccf n ASN 57 N -1.23 -2.08 -3.47 2.29 3.02 -1.26 -1.09 115.26 111.44 1ccf n ASN 57 Ca -0.02 -1.00 -0.23 0.00 -0.03 0.00 0.00 54.58 53.29 1ccf n ASN 57 Cb 0.65 -1.21 0.07 0.00 -0.61 0.00 0.00 39.78 38.68 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 -4.03 -7.56 -1.71 3.52 6.02 -1.26 -4.92 117.38 107.43 1ccf n GLN 58 Ca -0.13 0.82 -0.31 0.00 -0.01 0.00 0.00 57.00 57.37 1ccf n GLN 58 Cb 0.46 -5.80 0.04 0.00 1.02 0.00 0.00 30.24 25.96 1ccf n GLN 58 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1ccf s GLY 59 N -3.26 1.65 0.57 1.08 0.00 -0.25 -4.59 107.32 102.53 1ccf s GLY 59 Ca 0.55 -0.09 -0.03 0.00 0.00 0.00 0.00 44.72 45.15 1ccf s GLY 59 CO 0.68 0.24 0.84 -1.58 0.00 0.00 0.00 173.10 173.28 1ccf s HIS 60 N -3.16 3.08 -0.02 1.90 2.46 0.12 -4.86 115.29 114.81 1ccf s HIS 60 Ca 0.58 0.35 0.01 0.00 0.47 0.00 0.00 55.06 56.46 1ccf s HIS 60 Cb -0.13 -2.74 0.02 0.00 -0.13 0.00 0.00 32.58 29.60 1ccf s HIS 60 CO 0.54 -0.85 -0.03 0.00 -2.47 0.00 0.00 174.74 171.93 1ccf s LYS 62 N 0.60 1.25 0.00 0.00 -0.14 -0.60 -4.92 119.74 115.92 1ccf s LYS 62 Ca -0.07 -1.65 0.00 0.00 -1.36 0.00 0.00 55.97 52.90 1ccf s LYS 62 Cb -0.10 -0.15 0.00 0.00 -1.68 0.00 0.00 37.83 35.90 1ccf s LYS 62 CO -0.01 -0.25 0.00 0.41 -0.76 0.00 0.00 175.35 174.74 1ccf n GLY 64 N -0.34 1.49 3.46 -3.33 0.00 -0.60 -1.61 105.19 104.26 1ccf n GLY 64 Ca -0.02 0.06 -0.44 0.00 0.00 0.00 0.00 46.02 45.62 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 0.87 4.74 0.00 -0.61 1.01 -1.26 -4.61 121.20 121.34 1ccf s ILE 65 Ca 0.00 -1.70 0.00 0.00 0.00 0.00 0.00 60.65 58.95 1ccf s ILE 65 Cb 0.00 -4.81 0.00 0.00 0.01 0.00 0.00 42.46 37.66 1ccf s ILE 65 CO 0.00 -1.54 0.00 0.61 0.00 0.00 0.00 174.94 174.01 1ccf n GLY 66 N 5.35 1.99 3.83 6.18 0.00 -1.26 -4.91 105.19 116.37 1ccf n GLY 66 Ca 0.26 -0.22 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 1ccf n GLY 66 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1ccf s ASP 67 N 0.00 4.79 0.15 1.61 1.47 -1.26 -4.83 116.67 118.60 1ccf s ASP 67 Ca 0.00 1.25 0.02 0.00 1.18 0.00 0.00 52.55 55.00 1ccf s ASP 67 Cb 0.00 -2.00 -0.04 0.00 -0.34 0.00 0.00 42.92 40.54 1ccf s ASP 67 CO 0.00 -1.77 -0.02 -0.72 0.68 0.00 0.00 175.17 173.33 1ccf s TYR 68 N -3.22 1.14 -0.02 2.11 1.13 -1.26 -1.55 117.35 115.67 1ccf s TYR 68 Ca 0.60 -0.97 0.01 0.00 -1.41 0.00 0.00 57.07 55.30 1ccf s TYR 68 Cb -0.13 -0.65 0.02 0.00 -1.10 0.00 0.00 41.96 40.10 1ccf s TYR 68 CO 0.53 -0.17 -0.01 0.95 -2.51 0.00 0.00 175.55 174.34 1ccf s THR 69 N -3.62 0.25 -0.05 -3.49 -4.23 -0.64 -4.95 115.64 98.91 1ccf s THR 69 Ca 0.20 -0.00 -0.09 0.00 -1.18 0.00 0.00 61.69 60.63 1ccf s THR 69 Cb 0.06 -0.30 -0.05 0.00 1.34 0.00 0.00 72.50 73.55 1ccf s THR 69 CO 0.02 0.14 0.25 0.00 -0.54 0.00 0.00 174.62 174.48 1ccf s THR 71 N -1.12 4.70 0.50 0.00 -4.23 -0.43 -4.91 115.64 110.15 1ccf s THR 71 Ca 0.21 -0.70 -0.21 0.00 -1.18 0.00 0.00 61.69 59.81 1ccf s THR 71 Cb -0.14 -3.56 -0.07 0.00 1.34 0.00 0.00 72.50 70.07 1ccf s THR 71 CO 0.10 -0.16 1.11 0.00 -0.54 0.00 0.00 174.62 175.12 1ccf s ALA 73 N -1.75 2.23 0.37 0.00 0.00 -1.26 -4.84 121.76 116.51 1ccf s ALA 73 Ca 0.68 -0.51 -0.28 0.00 0.00 0.00 0.00 51.96 51.85 1ccf s ALA 73 Cb -0.23 -3.02 -0.11 0.00 0.00 0.00 0.00 23.12 19.76 1ccf s ALA 73 CO 0.27 -1.90 1.46 -1.91 0.00 0.00 0.00 175.76 173.67 1ccf n GLU 74 N -3.50 2.58 0.00 0.00 2.13 -1.26 -0.93 120.64 119.66 1ccf n GLU 74 Ca 0.07 0.91 0.00 0.00 0.66 0.00 0.00 57.16 58.80 1ccf n GLU 74 Cb 0.59 -2.61 0.00 0.00 0.27 0.00 0.00 31.44 29.69 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 0.50 1.82 3.24 8.31 0.00 -1.26 -5.04 105.19 112.77 1ccf n GLY 75 Ca 0.02 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.45 1.58 -0.20 1.61 0.08 -0.10 -2.37 117.98 116.13 1ccf s PHE 76 Ca 0.00 -0.44 -0.12 0.00 0.12 0.00 0.00 56.93 56.50 1ccf s PHE 76 Cb 0.00 -0.87 0.06 0.00 -0.57 0.00 0.00 43.02 41.64 1ccf s PHE 76 CO 0.00 0.15 0.48 -1.83 -0.10 0.00 0.00 175.22 173.93 1ccf s GLU 77 N -1.88 0.48 0.00 0.44 -1.05 -0.88 -4.48 118.70 111.33 1ccf s GLU 77 Ca 0.04 0.88 0.00 0.00 -0.15 0.00 0.00 54.97 55.74 1ccf s GLU 77 Cb -0.10 0.04 0.00 0.00 -0.44 0.00 0.00 34.13 33.63 1ccf s GLU 77 CO 0.04 -0.15 0.00 0.41 0.95 0.00 0.00 175.26 176.51 1ccf n GLY 78 N 4.15 3.15 0.30 -3.83 0.00 -1.26 -2.81 105.19 104.90 1ccf n GLY 78 Ca -0.22 -1.14 0.02 0.00 0.00 0.00 0.00 46.02 44.69 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 -0.01 -0.34 1.61 3.64 -2.01 0.29 116.57 119.75 1ccf h LYS 79 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1ccf h LYS 79 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1ccf h LYS 79 CO 0.00 -0.00 0.00 0.09 -2.27 0.00 0.00 179.45 177.27 1ccf n ASN 80 N -5.52 3.04 -0.27 4.20 3.02 -1.26 -4.48 115.26 113.98 1ccf n ASN 80 Ca 0.11 -2.10 -0.02 0.00 -0.03 0.00 0.00 54.58 52.54 1ccf n ASN 80 Cb 0.41 -0.27 -0.00 0.00 -0.61 0.00 0.00 39.78 39.31 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 -0.02 0.20 -6.66 0.00 4.81 -1.82 -3.40 114.58 107.69 1ccf h GLU 82 Ca -0.05 -0.13 -0.51 0.00 -0.13 0.00 0.00 59.36 58.55 1ccf h GLU 82 Cb 1.04 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.43 1ccf h GLU 82 CO 0.06 0.71 -0.01 -0.06 -0.73 0.00 0.00 179.01 178.98 1ccf s PHE 83 N -3.81 3.47 -0.78 0.92 0.08 -1.12 -4.96 117.98 111.78 1ccf s PHE 83 Ca -0.04 0.86 0.03 0.00 0.12 0.00 0.00 56.93 57.90 1ccf s PHE 83 Cb 0.12 -2.29 0.26 0.00 -0.57 0.00 0.00 43.02 40.55 1ccf s PHE 83 CO 0.79 0.05 0.96 -1.13 -0.10 0.00 0.00 175.22 175.78 1ccf n SER 84 N -1.04 4.55 -3.83 1.36 3.41 -1.26 -2.08 113.62 114.73 1ccf n SER 84 Ca 0.01 -3.42 -0.24 0.00 -0.26 0.00 0.00 58.87 54.96 1ccf n SER 84 Cb 0.54 -0.86 -0.06 0.00 -0.26 0.00 0.00 64.21 63.56 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 1.07 -0.88 1.35 6.66 -2.24 -1.00 -4.86 114.28 114.39 1ccf n THR 85 Ca 0.28 -0.37 0.11 0.00 -2.27 0.00 0.00 64.05 61.80 1ccf n THR 85 Cb 0.38 -0.84 0.64 0.00 -2.10 0.00 0.00 70.33 68.41 1ccf n THR 85 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04