#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 6.73 0.00 4.39 1.11 -1.26 -5.06 116.67 122.59 1ccf s ASP 46 Ca 0.00 0.89 0.00 0.00 0.18 0.00 0.00 52.55 53.62 1ccf s ASP 46 Cb 0.00 -2.22 0.00 0.00 1.07 0.00 0.00 42.92 41.77 1ccf s ASP 46 CO 0.00 0.26 0.00 0.61 1.18 0.00 0.00 175.17 177.22 1ccf n GLY 47 N 1.43 -0.85 3.37 0.21 0.00 -1.26 -5.01 105.19 103.07 1ccf n GLY 47 Ca -0.11 -1.52 -0.35 0.00 0.00 0.00 0.00 46.02 44.04 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 -1.17 4.58 0.01 1.61 1.01 -1.26 -4.94 116.67 116.52 1ccf s ASP 48 Ca 0.00 -0.31 0.20 0.00 0.71 0.00 0.00 52.55 53.14 1ccf s ASP 48 Cb 0.00 -1.79 -0.19 0.00 1.01 0.00 0.00 42.92 41.95 1ccf s ASP 48 CO 0.00 -0.01 0.63 0.00 0.21 0.00 0.00 175.17 176.01 1ccf n GLN 49 N 4.71 0.64 -0.50 8.23 3.00 -1.26 -3.85 117.38 128.34 1ccf n GLN 49 Ca -0.18 0.04 0.02 0.00 -0.01 0.00 0.00 57.00 56.88 1ccf n GLN 49 Cb 0.51 -1.68 0.21 0.00 0.00 0.00 0.00 30.24 29.28 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 0.26 0.60 -0.48 0.00 0.28 -1.25 -2.11 120.64 117.95 1ccf n GLU 51 Ca 0.17 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.17 1ccf n GLU 51 Cb 0.80 -1.24 0.01 0.00 1.43 0.00 0.00 31.44 32.43 1ccf n GLU 51 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1ccf n GLY 52 N 0.51 0.63 3.70 -1.84 0.00 -1.26 -5.04 105.19 101.88 1ccf n GLY 52 Ca 0.00 -0.04 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.25 0.11 1.61 -0.00 -0.89 -4.84 115.22 108.90 1ccf n HIS 53 Ca 0.01 0.93 -0.19 0.00 0.46 0.00 0.00 57.72 58.92 1ccf n HIS 53 Cb 0.70 -2.50 -0.15 0.00 -0.12 0.00 0.00 29.99 27.92 1ccf n HIS 53 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1ccf h PRO 54 N 0.43 0.36 -6.89 1.57 0.10 -1.94 -3.44 132.00 122.20 1ccf h PRO 54 Ca -0.61 -0.62 -0.48 0.00 0.10 0.00 0.00 66.00 64.39 1ccf h PRO 54 Cb 1.40 0.23 -0.00 0.00 0.10 0.00 0.00 31.00 32.73 1ccf h PRO 54 CO 0.33 1.28 0.39 0.00 0.10 0.00 0.00 178.00 180.09 1ccf s LEU 56 N -2.09 2.99 -0.47 0.00 1.43 0.11 -4.51 118.68 116.15 1ccf s LEU 56 Ca 0.51 -0.97 -0.13 0.00 -1.03 0.00 0.00 54.13 52.51 1ccf s LEU 56 Cb -0.22 -1.52 0.02 0.00 0.03 0.00 0.00 46.19 44.50 1ccf s LEU 56 CO 0.28 -1.23 0.26 0.59 0.23 0.00 0.00 176.35 176.48 1ccf n ASN 57 N -2.06 -1.62 -2.48 2.29 3.02 -1.26 -2.99 115.26 110.16 1ccf n ASN 57 Ca 0.09 -0.51 -0.02 0.00 -0.03 0.00 0.00 54.58 54.12 1ccf n ASN 57 Cb 0.62 -0.62 0.00 0.00 -0.61 0.00 0.00 39.78 39.18 1ccf n ASN 57 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 1ccf n GLN 58 N -2.48 -1.08 -4.41 3.52 7.27 -1.26 -4.86 117.38 114.07 1ccf n GLN 58 Ca -0.05 1.28 -0.21 0.00 0.07 0.00 0.00 57.00 58.09 1ccf n GLN 58 Cb 0.22 -4.29 -0.10 0.00 2.41 0.00 0.00 30.24 28.48 1ccf n GLN 58 CO 0.00 0.00 0.00 0.20 0.07 0.00 0.00 177.06 177.33 1ccf s GLY 59 N -2.47 1.69 -0.47 1.69 0.00 -1.16 -3.93 107.32 102.66 1ccf s GLY 59 Ca 0.05 -1.79 -0.23 0.00 0.00 0.00 0.00 44.72 42.75 1ccf s GLY 59 CO 0.50 -1.87 0.80 -1.58 0.00 0.00 0.00 173.10 170.94 1ccf s HIS 60 N -2.73 2.96 -0.41 1.90 2.46 0.12 -4.89 115.29 114.72 1ccf s HIS 60 Ca 0.27 0.08 -0.22 0.00 0.47 0.00 0.00 55.06 55.65 1ccf s HIS 60 Cb -0.03 -3.72 0.02 0.00 -0.13 0.00 0.00 32.58 28.71 1ccf s HIS 60 CO 0.11 -1.05 0.75 0.00 -2.47 0.00 0.00 174.74 172.08 1ccf n LYS 62 N 6.48 0.74 0.00 0.00 3.00 -0.59 -4.99 118.16 122.81 1ccf n LYS 62 Ca 0.02 -2.94 0.00 0.00 -0.00 0.00 0.00 58.31 55.39 1ccf n LYS 62 Cb 0.48 0.16 0.00 0.00 0.00 0.00 0.00 35.03 35.68 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 -0.93 2.28 3.42 3.14 0.00 -0.57 -2.30 105.19 110.23 1ccf n GLY 64 Ca 0.03 0.04 -0.45 0.00 0.00 0.00 0.00 46.02 45.64 1ccf n GLY 64 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1ccf s ILE 65 N 0.82 5.06 0.00 -0.61 2.07 -1.26 -4.64 121.20 122.65 1ccf s ILE 65 Ca 0.00 -2.12 0.00 0.00 -1.41 0.00 0.00 60.65 57.12 1ccf s ILE 65 Cb 0.00 -4.73 0.00 0.00 0.13 0.00 0.00 42.46 37.86 1ccf s ILE 65 CO 0.00 -1.41 0.00 0.61 -1.91 0.00 0.00 174.94 172.23 1ccf n GLY 66 N 4.69 2.05 3.80 1.50 0.00 -1.26 -4.88 105.19 111.09 1ccf n GLY 66 Ca 0.25 -0.27 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 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 4.49 0.20 1.61 1.47 -1.26 -4.85 116.67 118.33 1ccf s ASP 67 Ca 0.00 1.33 0.05 0.00 1.18 0.00 0.00 52.55 55.12 1ccf s ASP 67 Cb 0.00 -2.07 -0.05 0.00 -0.34 0.00 0.00 42.92 40.46 1ccf s ASP 67 CO 0.00 -1.97 -0.08 -0.72 0.68 0.00 0.00 175.17 173.08 1ccf s TYR 68 N -3.14 1.55 0.01 2.11 1.13 -1.26 -1.51 117.35 116.24 1ccf s TYR 68 Ca 0.61 -0.75 0.03 0.00 -1.41 0.00 0.00 57.07 55.55 1ccf s TYR 68 Cb -0.15 -0.82 -0.01 0.00 -1.10 0.00 0.00 41.96 39.89 1ccf s TYR 68 CO 0.54 0.15 -0.10 0.95 -2.51 0.00 0.00 175.55 174.58 1ccf s THR 69 N -3.22 0.78 -0.25 -3.49 -4.23 -0.97 -4.94 115.64 99.31 1ccf s THR 69 Ca 0.23 -0.61 -0.07 0.00 -1.18 0.00 0.00 61.69 60.06 1ccf s THR 69 Cb 0.03 -0.69 -0.03 0.00 1.34 0.00 0.00 72.50 73.15 1ccf s THR 69 CO 0.06 0.08 0.07 0.00 -0.54 0.00 0.00 174.62 174.30 1ccf s THR 71 N 1.61 5.26 0.55 0.00 -4.23 -0.04 -4.94 115.64 113.85 1ccf s THR 71 Ca 0.06 0.53 -0.11 0.00 -1.18 0.00 0.00 61.69 60.99 1ccf s THR 71 Cb -0.15 -3.65 -0.05 0.00 1.34 0.00 0.00 72.50 69.99 1ccf s THR 71 CO 0.04 0.30 0.94 0.00 -0.54 0.00 0.00 174.62 175.36 1ccf s ALA 73 N -2.89 2.55 -0.16 0.00 0.00 -1.25 -4.83 121.76 115.16 1ccf s ALA 73 Ca 0.54 -0.43 -0.28 0.00 0.00 0.00 0.00 51.96 51.78 1ccf s ALA 73 Cb -0.11 -3.02 -0.06 0.00 0.00 0.00 0.00 23.12 19.93 1ccf s ALA 73 CO 0.45 -1.57 2.17 -2.00 0.00 0.00 0.00 175.76 174.81 1ccf s GLU 74 N -5.37 3.34 0.00 0.00 2.12 -1.26 -1.97 118.70 115.56 1ccf s GLU 74 Ca 0.61 2.16 0.00 0.00 0.36 0.00 0.00 54.97 58.09 1ccf s GLU 74 Cb -0.12 -4.33 0.00 0.00 0.26 0.00 0.00 34.13 29.94 1ccf s GLU 74 CO 0.52 -1.86 0.00 0.41 -0.54 0.00 0.00 175.26 173.78 1ccf n GLY 75 N 5.50 3.74 3.90 -1.50 0.00 -1.26 -5.11 105.19 110.45 1ccf n GLY 75 Ca 0.28 -0.58 -0.20 0.00 0.00 0.00 0.00 46.02 45.52 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 2.84 0.00 1.61 0.08 -0.83 -0.98 117.98 120.71 1ccf s PHE 76 Ca 0.00 -0.37 0.00 0.00 0.12 0.00 0.00 56.93 56.68 1ccf s PHE 76 Cb 0.00 -2.03 0.00 0.00 -0.57 0.00 0.00 43.02 40.42 1ccf s PHE 76 CO 0.00 -0.03 0.00 -1.91 -0.10 0.00 0.00 175.22 173.18 1ccf n GLU 77 N -1.53 0.00 -0.75 0.44 2.13 -0.84 -4.61 120.64 115.48 1ccf n GLU 77 Ca 0.02 0.00 -0.29 0.00 0.66 0.00 0.00 57.16 57.55 1ccf n GLU 77 Cb 0.60 -0.04 0.22 0.00 0.27 0.00 0.00 31.44 32.49 1ccf n GLU 77 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 1ccf s GLY 78 N 0.00 1.56 0.18 8.31 0.00 -1.23 -4.63 107.32 111.51 1ccf s GLY 78 Ca 0.00 -0.14 -0.19 0.00 0.00 0.00 0.00 44.72 44.39 1ccf s GLY 78 CO 0.00 0.52 1.61 1.70 0.00 0.00 0.00 173.10 176.93 1ccf h LYS 79 N -2.34 -0.13 -0.65 2.90 3.64 -1.97 0.90 116.57 118.92 1ccf h LYS 79 Ca -0.58 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.81 1ccf h LYS 79 Cb 1.33 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.18 1ccf h LYS 79 CO 0.52 -0.09 0.00 0.09 -2.27 0.00 0.00 179.45 177.70 1ccf n ASN 80 N -5.42 3.79 -0.36 4.20 3.02 -1.26 -4.75 115.26 114.48 1ccf n ASN 80 Ca 0.04 -2.44 -0.04 0.00 -0.03 0.00 0.00 54.58 52.11 1ccf n ASN 80 Cb 0.33 -0.54 -0.01 0.00 -0.61 0.00 0.00 39.78 38.95 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 0.00 0.22 -6.65 0.00 4.11 -1.87 -3.40 114.58 106.98 1ccf h GLU 82 Ca -0.09 -0.15 -0.51 0.00 0.07 0.00 0.00 59.36 58.68 1ccf h GLU 82 Cb 0.55 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 1ccf h GLU 82 CO 0.12 0.76 0.02 -0.06 0.07 0.00 0.00 179.01 179.92 1ccf s PHE 83 N -3.73 3.42 -0.04 2.06 0.08 -1.26 -4.85 117.98 113.66 1ccf s PHE 83 Ca -0.04 1.02 0.02 0.00 0.12 0.00 0.00 56.93 58.05 1ccf s PHE 83 Cb 0.12 -2.39 -0.03 0.00 -0.57 0.00 0.00 43.02 40.15 1ccf s PHE 83 CO 0.80 0.10 -0.08 0.45 -0.10 0.00 0.00 175.22 176.39 1ccf s SER 84 N -2.60 4.56 -0.37 1.36 0.15 -1.26 -1.98 113.70 113.56 1ccf s SER 84 Ca 0.50 -0.09 0.00 0.00 0.70 0.00 0.00 55.95 57.07 1ccf s SER 84 Cb -0.11 -1.09 0.34 0.00 -1.71 0.00 0.00 66.02 63.46 1ccf s SER 84 CO 0.23 0.33 1.85 0.35 1.20 0.00 0.00 173.24 177.20 1ccf n THR 85 N 1.98 2.78 1.44 6.45 -2.24 -0.15 -4.96 114.28 119.58 1ccf n THR 85 Ca -0.17 -1.71 0.12 0.00 -2.27 0.00 0.00 64.05 60.02 1ccf n THR 85 Cb 0.53 -1.03 0.68 0.00 -2.10 0.00 0.00 70.33 68.41 1ccf n THR 85 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39