#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k8b s ILE 40 N 0.00 3.19 -0.04 -3.67 2.07 -1.26 -1.79 121.20 119.70 1k8b s ILE 40 Ca 0.00 -0.63 0.02 0.00 -1.41 0.00 0.00 60.65 58.63 1k8b s ILE 40 Cb 0.00 -2.32 0.01 0.00 0.13 0.00 0.00 42.46 40.28 1k8b s ILE 40 CO 0.00 0.54 -0.10 -0.76 -1.91 0.00 0.00 174.94 172.72 1k8b s LEU 41 N -0.03 1.71 -0.10 8.50 1.02 -0.98 -5.01 118.68 123.80 1k8b s LEU 41 Ca -0.03 -0.22 0.04 0.00 0.02 0.00 0.00 54.13 53.94 1k8b s LEU 41 Cb -0.14 -0.64 -0.01 0.00 0.02 0.00 0.00 46.19 45.43 1k8b s LEU 41 CO 0.04 0.05 -0.22 -0.63 0.02 0.00 0.00 176.35 175.61 1k8b s ILE 42 N 0.36 2.28 -0.02 -0.59 1.01 -1.26 -1.97 121.20 121.01 1k8b s ILE 42 Ca -0.07 -0.95 0.02 0.00 0.00 0.00 0.00 60.65 59.65 1k8b s ILE 42 Cb -0.11 -1.88 0.00 0.00 0.01 0.00 0.00 42.46 40.48 1k8b s ILE 42 CO 0.01 0.56 -0.06 -1.61 0.00 0.00 0.00 174.94 173.84 1k8b s GLU 43 N 0.23 0.63 1.60 2.79 0.41 -1.00 -5.00 118.70 118.36 1k8b s GLU 43 Ca -0.14 -0.20 0.00 0.00 -0.41 0.00 0.00 54.97 54.22 1k8b s GLU 43 Cb -0.17 -0.62 0.00 0.00 -1.78 0.00 0.00 34.13 31.56 1k8b s GLU 43 CO 0.07 0.08 0.00 0.41 -0.49 0.00 0.00 175.26 175.33 1k8b n GLY 44 N 3.25 0.25 0.00 -1.39 0.00 -1.26 -1.73 105.19 104.30 1k8b n GLY 44 Ca -0.17 0.56 0.00 0.00 0.00 0.00 0.00 46.02 46.41 1k8b n GLY 44 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1k8b n ASN 45 N 2.72 0.00 -4.49 1.61 0.23 -1.26 -5.09 115.26 108.98 1k8b n ASN 45 Ca 0.00 -0.52 -0.33 0.00 -0.53 0.00 0.00 54.58 53.20 1k8b n ASN 45 Cb 0.00 0.00 -0.13 0.00 -2.08 0.00 0.00 39.78 37.57 1k8b n ASN 45 CO 0.00 0.00 0.00 -0.13 -0.93 0.00 0.00 177.26 176.20 1k8b s ARG 46 N 0.00 2.76 -0.03 -3.83 0.52 -0.71 -3.89 118.95 113.77 1k8b s ARG 46 Ca 0.00 -0.64 0.06 0.00 -0.52 0.00 0.00 55.73 54.63 1k8b s ARG 46 Cb 0.00 -2.50 -0.01 0.00 0.52 0.00 0.00 34.95 32.95 1k8b s ARG 46 CO 0.00 0.56 -0.22 0.99 0.02 0.00 0.00 175.30 176.65 1k8b s THR 47 N -0.55 1.75 -0.07 0.02 2.01 -0.96 -2.36 115.64 115.49 1k8b s THR 47 Ca 0.08 -0.92 0.03 0.00 0.31 0.00 0.00 61.69 61.18 1k8b s THR 47 Cb -0.12 -1.47 -0.02 0.00 0.01 0.00 0.00 72.50 70.90 1k8b s THR 47 CO 0.02 0.49 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.66 1k8b s ILE 48 N -0.31 2.99 -0.14 1.82 1.01 -0.83 -1.74 121.20 124.00 1k8b s ILE 48 Ca 0.03 -0.74 0.02 0.00 0.00 0.00 0.00 60.65 59.96 1k8b s ILE 48 Cb -0.10 -2.18 0.02 0.00 0.01 0.00 0.00 42.46 40.20 1k8b s ILE 48 CO 0.01 0.58 -0.18 -0.51 0.00 0.00 0.00 174.94 174.83 1k8b s ILE 49 N -0.47 1.82 -1.21 2.92 2.07 -0.19 -2.32 121.20 123.81 1k8b s ILE 49 Ca 0.06 -0.82 -0.11 0.00 -1.41 0.00 0.00 60.65 58.37 1k8b s ILE 49 Cb -0.12 -1.64 -0.07 0.00 0.13 0.00 0.00 42.46 40.77 1k8b s ILE 49 CO 0.02 0.50 2.38 0.54 -1.91 0.00 0.00 174.94 176.46 1k8b n ARG 50 N 4.32 2.64 -0.39 3.50 5.12 -0.74 -2.02 116.66 129.09 1k8b n ARG 50 Ca -0.19 -1.95 0.02 0.00 -1.93 0.00 0.00 57.85 53.80 1k8b n ARG 50 Cb 0.51 -2.78 0.17 0.00 -1.16 0.00 0.00 32.46 29.20 1k8b n ARG 50 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1k8b n ASN 51 N 4.84 3.02 -0.31 0.55 2.85 -1.26 -4.59 115.26 120.36 1k8b n ASN 51 Ca 0.58 -2.40 0.16 0.00 -0.11 0.00 0.00 54.58 52.81 1k8b n ASN 51 Cb 0.25 -0.58 0.34 0.00 1.24 0.00 0.00 39.78 41.03 1k8b n ASN 51 CO 0.00 0.00 0.00 0.15 -2.11 0.00 0.00 177.26 175.30 1k8b h PHE 52 N 1.64 0.40 0.00 1.20 3.57 -1.75 -0.93 116.94 121.06 1k8b h PHE 52 Ca 0.01 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.56 1k8b h PHE 52 Cb 1.15 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.87 1k8b h PHE 52 CO 0.47 -0.27 0.00 2.89 -2.23 0.00 0.00 178.31 179.17 1k8b n ARG 53 N -5.26 0.00 -0.20 1.11 0.00 -1.26 0.95 116.66 112.00 1k8b n ARG 53 Ca 0.25 0.55 0.01 0.00 -0.00 0.00 0.00 57.85 58.65 1k8b n ARG 53 Cb 0.79 -1.22 0.11 0.00 -0.00 0.00 0.00 32.46 32.15 1k8b n ARG 53 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 1k8b h GLU 54 N 0.00 0.15 -0.66 2.89 3.07 -1.92 -0.31 114.58 117.80 1k8b h GLU 54 Ca 0.00 -0.01 0.14 0.00 -0.50 0.00 0.00 59.36 58.99 1k8b h GLU 54 Cb 0.00 -0.03 -0.11 0.00 -0.84 0.00 0.00 28.75 27.77 1k8b h GLU 54 CO 0.00 0.10 0.02 -0.07 -1.40 0.00 0.00 179.01 177.65 1k8b h LEU 55 N 0.15 -0.27 -0.43 1.33 4.07 -0.68 -0.08 115.31 119.40 1k8b h LEU 55 Ca 0.33 0.16 0.09 0.00 0.08 0.00 0.00 57.88 58.54 1k8b h LEU 55 Cb 0.53 0.28 -0.09 0.00 1.08 0.00 0.00 40.66 42.45 1k8b h LEU 55 CO -0.50 -0.12 -0.25 0.00 -1.08 0.00 0.00 178.44 176.49 1k8b h ALA 56 N 1.60 0.02 -0.47 1.53 0.00 0.24 1.00 119.26 123.18 1k8b h ALA 56 Ca 0.35 0.14 0.09 0.00 0.00 0.00 0.00 54.91 55.49 1k8b h ALA 56 Cb 0.58 0.57 -0.08 0.00 0.00 0.00 0.00 17.79 18.86 1k8b h ALA 56 CO -0.55 -0.61 0.01 0.87 0.00 0.00 0.00 179.25 178.96 1k8b h LYS 57 N -0.16 0.12 -0.55 0.00 1.57 -1.03 -0.41 116.57 116.11 1k8b h LYS 57 Ca 0.20 -0.01 0.11 0.00 -1.87 0.00 0.00 60.65 59.08 1k8b h LYS 57 Cb 0.48 -0.03 -0.09 0.00 0.08 0.00 0.00 32.23 32.67 1k8b h LYS 57 CO -0.53 0.08 -0.00 0.00 -0.57 0.00 0.00 179.45 178.43 1k8b h ALA 58 N 1.41 0.52 -0.50 3.86 0.00 0.23 -2.07 119.26 122.71 1k8b h ALA 58 Ca 0.24 0.17 0.10 0.00 0.00 0.00 0.00 54.91 55.41 1k8b h ALA 58 Cb 0.34 0.29 -0.10 0.00 0.00 0.00 0.00 17.79 18.32 1k8b h ALA 58 CO -0.38 -0.39 -0.14 -0.39 0.00 0.00 0.00 179.25 177.95 1k8b h VAL 59 N 0.12 0.47 -1.04 0.00 -1.51 0.24 1.45 116.25 115.97 1k8b h VAL 59 Ca 0.28 0.00 0.27 0.00 -1.23 0.00 0.00 66.70 66.02 1k8b h VAL 59 Cb 0.43 0.47 -0.08 0.00 -2.13 0.00 0.00 31.29 29.98 1k8b h VAL 59 CO -0.46 0.00 0.69 0.78 -1.23 0.00 0.00 177.57 177.35 1k8b h ASN 60 N -0.02 0.34 -0.49 4.19 2.35 -1.20 0.98 115.58 121.73 1k8b h ASN 60 Ca 0.24 0.06 -0.15 0.00 -0.55 0.00 0.00 56.30 55.90 1k8b h ASN 60 Cb 0.39 0.01 -0.09 0.00 0.05 0.00 0.00 38.32 38.67 1k8b h ASN 60 CO -0.52 0.07 0.11 0.54 -1.65 0.00 0.00 177.43 175.98 1k8b n ARG 61 N -4.52 2.86 -1.04 0.81 1.74 0.42 -4.95 116.66 111.98 1k8b n ARG 61 Ca 0.24 -3.03 0.00 0.00 -0.77 0.00 0.00 57.85 54.29 1k8b n ARG 61 Cb 0.92 -1.98 0.00 0.00 -1.02 0.00 0.00 32.46 30.38 1k8b n ARG 61 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1k8b n ASP 62 N -0.60 -1.39 -0.24 0.55 8.00 0.34 -4.90 116.55 118.31 1k8b n ASP 62 Ca 0.34 0.00 -0.05 0.00 0.71 0.00 0.00 54.79 55.79 1k8b n ASP 62 Cb 1.15 -0.69 0.06 0.00 -0.02 0.00 0.00 41.12 41.61 1k8b n ASP 62 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 1k8b h GLU 63 N 0.00 0.86 -0.59 -1.24 4.11 -1.16 -1.28 114.58 115.28 1k8b h GLU 63 Ca 0.00 -0.05 0.12 0.00 0.07 0.00 0.00 59.36 59.50 1k8b h GLU 63 Cb 0.22 -0.19 -0.11 0.00 0.50 0.00 0.00 28.75 29.16 1k8b h GLU 63 CO 0.00 0.57 -0.14 1.49 0.07 0.00 0.00 179.01 181.00 1k8b h GLU 64 N 0.89 0.00 -0.48 1.06 4.81 -1.88 0.12 114.58 119.10 1k8b h GLU 64 Ca 0.26 -0.00 0.09 0.00 -0.13 0.00 0.00 59.36 59.58 1k8b h GLU 64 Cb -0.06 -0.00 -0.08 0.00 0.63 0.00 0.00 28.75 29.24 1k8b h GLU 64 CO -0.07 0.00 -0.00 0.35 -0.73 0.00 0.00 179.01 178.56 1k8b h PHE 65 N 0.00 -0.03 0.60 0.92 3.57 -1.59 -3.00 116.94 117.42 1k8b h PHE 65 Ca 0.29 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.79 1k8b h PHE 65 Cb 0.44 0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.27 1k8b h PHE 65 CO -0.48 -0.11 -0.32 0.35 -2.23 0.00 0.00 178.31 175.52 1k8b h PHE 66 N 0.11 -0.85 -0.96 0.41 3.57 -0.40 -2.55 116.94 116.27 1k8b h PHE 66 Ca 0.24 -0.01 0.27 0.00 3.53 0.00 0.00 57.97 62.00 1k8b h PHE 66 Cb 0.36 0.29 -0.18 0.00 2.79 0.00 0.00 35.95 39.21 1k8b h PHE 66 CO -0.31 -0.50 0.06 0.00 -2.23 0.00 0.00 178.31 175.34 1k8b h ALA 67 N -1.51 1.20 -0.83 2.41 0.00 -1.47 3.66 119.26 122.71 1k8b h ALA 67 Ca -0.08 0.32 0.19 0.00 0.00 0.00 0.00 54.91 55.34 1k8b h ALA 67 Cb 0.67 0.55 -0.15 0.00 0.00 0.00 0.00 17.79 18.86 1k8b h ALA 67 CO 0.11 -0.57 -0.08 -0.22 0.00 0.00 0.00 179.25 178.50 1k8b h LYS 68 N 0.03 0.04 -0.67 0.00 1.63 -1.35 0.10 116.57 116.36 1k8b h LYS 68 Ca 0.59 -0.00 0.10 0.00 -0.85 0.00 0.00 60.65 60.49 1k8b h LYS 68 Cb 1.23 -0.01 -0.12 0.00 -0.60 0.00 0.00 32.23 32.74 1k8b h LYS 68 CO -0.88 0.03 -0.41 1.88 -3.45 0.00 0.00 179.45 176.62 1k8b h TYR 69 N 0.05 -1.20 -0.75 1.91 -1.99 0.73 0.56 116.97 116.29 1k8b h TYR 69 Ca 0.44 0.09 0.17 0.00 2.00 0.00 0.00 58.73 61.42 1k8b h TYR 69 Cb 0.76 0.62 -0.13 0.00 2.00 0.00 0.00 36.73 39.98 1k8b h TYR 69 CO -0.53 -0.41 0.00 1.25 -0.00 0.00 0.00 178.16 178.48 1k8b h LEU 70 N -0.17 -0.35 -0.25 3.88 5.85 -0.59 1.09 115.31 124.77 1k8b h LEU 70 Ca 0.22 0.19 0.03 0.00 0.84 0.00 0.00 57.88 59.16 1k8b h LEU 70 Cb 0.56 0.34 -0.03 0.00 0.37 0.00 0.00 40.66 41.90 1k8b h LEU 70 CO -0.74 -0.18 0.06 0.25 -0.34 0.00 0.00 178.44 177.49 1k8b h LEU 71 N 0.10 0.05 -0.64 2.25 6.46 0.12 0.66 115.31 124.30 1k8b h LEU 71 Ca 0.41 0.03 0.14 0.00 -0.12 0.00 0.00 57.88 58.34 1k8b h LEU 71 Cb 0.71 0.04 -0.11 0.00 -0.73 0.00 0.00 40.66 40.57 1k8b h LEU 71 CO -0.66 0.06 0.00 0.50 -0.62 0.00 0.00 178.44 177.72 1k8b h LYS 72 N 0.17 0.11 -0.01 1.25 3.64 0.51 0.92 116.57 123.16 1k8b h LYS 72 Ca 0.11 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.48 1k8b h LYS 72 Cb 0.10 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 31.90 1k8b h LYS 72 CO -0.14 0.07 -0.00 0.93 -2.27 0.00 0.00 179.45 178.05 1k8b h GLU 73 N 0.12 0.02 0.00 1.90 4.39 0.11 -3.36 114.58 117.76 1k8b h GLU 73 Ca 0.34 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 60.03 1k8b h GLU 73 Cb 0.56 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.20 1k8b h GLU 73 CO -0.55 0.37 0.00 2.41 -1.16 0.00 0.00 179.01 180.07 1k8b n THR 74 N -4.91 0.00 0.00 1.13 -1.04 0.22 -4.99 114.28 104.70 1k8b n THR 74 Ca -0.08 1.23 0.00 0.00 -2.04 0.00 0.00 64.05 63.16 1k8b n THR 74 Cb 0.19 -2.22 0.00 0.00 -1.82 0.00 0.00 70.33 66.48 1k8b n THR 74 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1k8b n GLY 75 N -0.23 1.81 0.00 3.41 0.00 0.31 -5.04 105.19 105.46 1k8b n GLY 75 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.49 1k8b n GLY 75 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1k8b n SER 76 N 0.00 0.00 -3.69 1.61 3.41 -1.26 -5.00 113.62 108.70 1k8b n SER 76 Ca 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.48 1k8b n SER 76 Cb 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 63.86 1k8b n SER 76 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1k8b s ALA 77 N -2.27 -1.35 0.04 7.33 0.00 -1.04 -5.03 121.76 119.43 1k8b s ALA 77 Ca 0.00 1.56 0.05 0.00 0.00 0.00 0.00 51.96 53.57 1k8b s ALA 77 Cb 0.00 -0.91 -0.02 0.00 0.00 0.00 0.00 23.12 22.19 1k8b s ALA 77 CO 0.00 -0.26 -0.14 0.20 0.00 0.00 0.00 175.76 175.56 1k8b s GLY 78 N 0.35 0.77 -0.02 0.00 0.00 -1.26 -1.52 107.32 105.64 1k8b s GLY 78 Ca -0.00 -0.81 0.03 0.00 0.00 0.00 0.00 44.72 43.94 1k8b s GLY 78 CO -0.00 -0.79 -0.12 -1.31 0.00 0.00 0.00 173.10 170.89 1k8b s ASN 79 N -1.13 1.41 -0.09 1.64 0.01 -1.00 -4.86 114.94 110.91 1k8b s ASN 79 Ca 0.01 -0.22 0.00 0.00 -0.71 0.00 0.00 52.86 51.95 1k8b s ASN 79 Cb -0.08 -0.24 -0.03 0.00 0.41 0.00 0.00 41.25 41.32 1k8b s ASN 79 CO 0.01 0.12 -0.09 -1.48 -1.51 0.00 0.00 177.10 174.15 1k8b s LEU 80 N -0.12 2.99 -0.02 0.60 0.05 -1.26 -1.90 118.68 119.01 1k8b s LEU 80 Ca 0.02 -0.14 0.03 0.00 0.05 0.00 0.00 54.13 54.08 1k8b s LEU 80 Cb -0.06 -1.66 -0.00 0.00 -2.05 0.00 0.00 46.19 42.42 1k8b s LEU 80 CO -0.00 0.28 -0.10 -1.61 -0.55 0.00 0.00 176.35 174.38 1k8b s GLU 81 N -0.35 0.99 0.00 1.48 2.02 -1.01 -4.99 118.70 116.85 1k8b s GLU 81 Ca 0.04 -0.34 0.00 0.00 0.02 0.00 0.00 54.97 54.69 1k8b s GLU 81 Cb -0.12 -0.93 0.00 0.00 0.10 0.00 0.00 34.13 33.18 1k8b s GLU 81 CO 0.02 0.15 0.00 0.41 0.02 0.00 0.00 175.26 175.86 1k8b n GLY 82 N 3.17 -0.09 0.00 -1.39 0.00 -1.26 -1.40 105.19 104.22 1k8b n GLY 82 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1k8b n GLY 82 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k8b n GLY 83 N 0.00 0.86 3.77 -0.02 0.00 -1.26 -5.05 105.19 103.49 1k8b n GLY 83 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1k8b n GLY 83 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1k8b s ARG 84 N 0.00 3.02 -0.13 1.61 3.03 -0.49 -2.65 118.95 123.34 1k8b s ARG 84 Ca 0.00 -0.52 -0.05 0.00 2.03 0.00 0.00 55.73 57.20 1k8b s ARG 84 Cb 0.00 -2.83 -0.04 0.00 -1.03 0.00 0.00 34.95 31.06 1k8b s ARG 84 CO 0.00 0.64 0.05 -0.48 -1.13 0.00 0.00 175.30 174.37 1k8b s LEU 85 N -1.77 3.80 -0.03 -1.89 0.05 -0.86 -2.39 118.68 115.59 1k8b s LEU 85 Ca 0.23 0.18 0.05 0.00 0.05 0.00 0.00 54.13 54.64 1k8b s LEU 85 Cb -0.12 -1.91 -0.01 0.00 -2.05 0.00 0.00 46.19 42.10 1k8b s LEU 85 CO 0.14 0.31 -0.18 -0.63 -0.55 0.00 0.00 176.35 175.44 1k8b s ILE 86 N -0.45 1.46 -0.04 1.48 1.01 -0.80 -1.02 121.20 122.83 1k8b s ILE 86 Ca 0.09 -0.76 0.05 0.00 0.00 0.00 0.00 60.65 60.03 1k8b s ILE 86 Cb -0.12 -1.23 -0.01 0.00 0.01 0.00 0.00 42.46 41.11 1k8b s ILE 86 CO 0.02 0.42 -0.19 -1.48 0.00 0.00 0.00 174.94 173.71 1k8b s LEU 87 N -0.21 1.97 -0.29 2.97 -0.00 -0.71 -2.38 118.68 120.02 1k8b s LEU 87 Ca 0.02 -0.38 0.03 0.00 -0.00 0.00 0.00 54.13 53.80 1k8b s LEU 87 Cb -0.09 -1.04 0.08 0.00 -0.00 0.00 0.00 46.19 45.13 1k8b s LEU 87 CO 0.01 0.19 -0.03 -1.58 -0.00 0.00 0.00 176.35 174.93 1k8b s GLN 88 N -0.11 1.82 0.78 1.48 0.74 -0.58 -2.26 119.66 121.54 1k8b s GLN 88 Ca -0.01 -1.52 -0.11 0.00 0.05 0.00 0.00 55.36 53.77 1k8b s GLN 88 Cb -0.11 -2.96 0.06 0.00 1.10 0.00 0.00 33.01 31.11 1k8b s GLN 88 CO 0.02 -0.74 1.10 1.03 -0.55 0.00 0.00 175.29 176.15 1k8b s ARG 89 N 1.07 2.16 0.00 1.67 3.00 -1.25 -2.48 118.95 123.12 1k8b s ARG 89 Ca -0.00 1.21 0.00 0.00 0.00 0.00 0.00 55.73 56.94 1k8b s ARG 89 Cb -0.19 -1.88 0.00 0.00 0.00 0.00 0.00 34.95 32.87 1k8b s ARG 89 CO -0.07 -1.72 0.28 -2.13 0.00 0.00 0.00 175.30 171.66