#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 3.88 -0.04 -3.67 -4.36 -1.26 -1.57 121.20 114.18 1k8b s ILE 40 Ca 0.00 -0.38 0.03 0.00 -0.26 0.00 0.00 60.65 60.04 1k8b s ILE 40 Cb 0.00 -2.67 0.01 0.00 1.25 0.00 0.00 42.46 41.05 1k8b s ILE 40 CO 0.00 0.53 -0.11 -0.76 0.24 0.00 0.00 174.94 174.84 1k8b s LEU 41 N -0.01 1.72 -0.08 0.37 1.02 -1.00 -5.01 118.68 115.71 1k8b s LEU 41 Ca 0.01 -0.24 0.04 0.00 0.02 0.00 0.00 54.13 53.96 1k8b s LEU 41 Cb -0.13 -0.69 0.00 0.00 0.02 0.00 0.00 46.19 45.39 1k8b s LEU 41 CO 0.03 0.06 -0.20 -0.51 0.02 0.00 0.00 176.35 175.74 1k8b s ILE 42 N 0.36 1.75 -0.02 -0.59 -1.16 -1.26 -1.87 121.20 118.41 1k8b s ILE 42 Ca -0.07 -0.86 0.02 0.00 -0.51 0.00 0.00 60.65 59.24 1k8b s ILE 42 Cb -0.12 -1.52 0.00 0.00 0.61 0.00 0.00 42.46 41.44 1k8b s ILE 42 CO 0.02 0.49 -0.08 -1.83 -2.81 0.00 0.00 174.94 170.73 1k8b s GLU 43 N 0.30 0.78 1.41 3.50 1.03 -0.99 -4.99 118.70 119.75 1k8b s GLU 43 Ca -0.14 -0.26 0.00 0.00 0.03 0.00 0.00 54.97 54.60 1k8b s GLU 43 Cb -0.16 -0.75 0.00 0.00 -0.80 0.00 0.00 34.13 32.42 1k8b s GLU 43 CO 0.06 0.11 0.00 0.41 -1.33 0.00 0.00 175.26 174.51 1k8b n GLY 44 N 3.22 0.22 0.00 -3.83 0.00 -1.26 -1.82 105.19 101.72 1k8b n GLY 44 Ca -0.17 0.64 0.00 0.00 0.00 0.00 0.00 46.02 46.49 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 2.39 0.00 -4.54 1.61 6.94 -1.26 -5.10 115.26 115.29 1k8b n ASN 45 Ca 0.00 -0.52 -0.34 0.00 -0.02 0.00 0.00 54.58 53.70 1k8b n ASN 45 Cb 0.00 0.00 -0.12 0.00 -2.36 0.00 0.00 39.78 37.30 1k8b n ASN 45 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1k8b s ARG 46 N 0.00 2.86 -0.03 -3.83 1.70 -0.76 -3.76 118.95 115.13 1k8b s ARG 46 Ca 0.00 -0.57 0.06 0.00 -0.47 0.00 0.00 55.73 54.75 1k8b s ARG 46 Cb 0.00 -2.60 -0.01 0.00 -0.57 0.00 0.00 34.95 31.77 1k8b s ARG 46 CO 0.00 0.58 -0.23 0.99 -1.08 0.00 0.00 175.30 175.57 1k8b s THR 47 N -0.59 1.83 -0.09 4.99 2.01 -0.95 -2.34 115.64 120.49 1k8b s THR 47 Ca 0.09 -0.96 -0.01 0.00 0.31 0.00 0.00 61.69 61.12 1k8b s THR 47 Cb -0.12 -1.53 -0.03 0.00 0.01 0.00 0.00 72.50 70.83 1k8b s THR 47 CO 0.02 0.51 -0.05 0.27 -0.69 0.00 0.00 174.62 174.68 1k8b s ILE 48 N -0.32 3.81 -0.13 1.82 -5.25 -0.78 -1.71 121.20 118.64 1k8b s ILE 48 Ca 0.03 -0.43 0.00 0.00 -0.99 0.00 0.00 60.65 59.26 1k8b s ILE 48 Cb -0.11 -2.59 -0.01 0.00 2.95 0.00 0.00 42.46 42.70 1k8b s ILE 48 CO 0.01 0.58 -0.14 -0.63 -1.79 0.00 0.00 174.94 172.97 1k8b s ILE 49 N -0.55 2.99 -1.09 8.37 1.01 -0.07 -2.36 121.20 129.50 1k8b s ILE 49 Ca 0.08 -0.69 -0.06 0.00 0.00 0.00 0.00 60.65 59.99 1k8b s ILE 49 Cb -0.12 -2.25 0.05 0.00 0.01 0.00 0.00 42.46 40.15 1k8b s ILE 49 CO 0.02 0.53 2.65 0.54 0.00 0.00 0.00 174.94 178.68 1k8b n ARG 50 N 3.48 3.81 -0.43 2.79 1.74 -0.61 -1.81 116.66 125.63 1k8b n ARG 50 Ca -0.18 -2.86 -0.04 0.00 -0.77 0.00 0.00 57.85 54.01 1k8b n ARG 50 Cb 0.53 -2.51 0.12 0.00 -1.02 0.00 0.00 32.46 29.58 1k8b n ARG 50 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1k8b n ASN 51 N 1.88 3.12 -0.32 0.55 5.15 -1.26 -4.62 115.26 119.75 1k8b n ASN 51 Ca 0.61 -2.52 0.21 0.00 -0.60 0.00 0.00 54.58 52.29 1k8b n ASN 51 Cb 0.36 -0.61 0.42 0.00 -0.53 0.00 0.00 39.78 39.42 1k8b n ASN 51 CO 0.00 0.00 0.00 0.15 1.40 0.00 0.00 177.26 178.81 1k8b h PHE 52 N 0.99 0.46 0.00 1.20 3.57 -1.74 0.52 116.94 121.94 1k8b h PHE 52 Ca 0.13 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.68 1k8b h PHE 52 Cb 1.44 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 40.14 1k8b h PHE 52 CO 0.55 -0.37 0.00 -2.13 -2.23 0.00 0.00 178.31 174.13 1k8b n ARG 53 N -5.30 0.00 -0.19 1.11 0.63 -1.26 0.98 116.66 112.63 1k8b n ARG 53 Ca 0.29 0.37 -0.00 0.00 -0.92 0.00 0.00 57.85 57.59 1k8b n ARG 53 Cb 0.95 -1.19 0.09 0.00 0.45 0.00 0.00 32.46 32.76 1k8b n ARG 53 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 1k8b h GLU 54 N 0.00 0.11 -0.72 -0.14 4.81 -1.93 0.14 114.58 116.85 1k8b h GLU 54 Ca 0.00 -0.01 0.16 0.00 -0.13 0.00 0.00 59.36 59.38 1k8b h GLU 54 Cb 0.00 -0.02 -0.11 0.00 0.63 0.00 0.00 28.75 29.24 1k8b h GLU 54 CO 0.00 0.07 0.12 1.25 -0.73 0.00 0.00 179.01 179.72 1k8b h LEU 55 N 0.11 -0.10 -0.30 1.64 6.46 -0.79 -1.73 115.31 120.60 1k8b h LEU 55 Ca 0.30 0.16 0.06 0.00 -0.12 0.00 0.00 57.88 58.28 1k8b h LEU 55 Cb 0.47 0.24 -0.08 0.00 -0.73 0.00 0.00 40.66 40.56 1k8b h LEU 55 CO -0.50 -0.08 -0.41 0.00 -0.62 0.00 0.00 178.44 176.83 1k8b h ALA 56 N 1.63 -0.46 -0.48 1.25 0.00 0.35 0.85 119.26 122.40 1k8b h ALA 56 Ca 0.40 0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.45 1k8b h ALA 56 Cb 0.70 0.82 -0.08 0.00 0.00 0.00 0.00 17.79 19.23 1k8b h ALA 56 CO -0.55 -0.87 -0.00 0.87 0.00 0.00 0.00 179.25 178.70 1k8b h LYS 57 N -0.38 0.11 -0.61 0.00 1.57 -1.23 0.77 116.57 116.81 1k8b h LYS 57 Ca 0.12 -0.01 0.13 0.00 -1.87 0.00 0.00 60.65 59.02 1k8b h LYS 57 Cb 0.59 -0.02 -0.11 0.00 0.08 0.00 0.00 32.23 32.77 1k8b h LYS 57 CO -0.50 0.07 -0.03 0.00 -0.57 0.00 0.00 179.45 178.42 1k8b h ALA 58 N 1.43 0.55 -0.59 3.86 0.00 0.34 -1.06 119.26 123.79 1k8b h ALA 58 Ca 0.24 0.20 0.12 0.00 0.00 0.00 0.00 54.91 55.47 1k8b h ALA 58 Cb 0.36 0.35 -0.10 0.00 0.00 0.00 0.00 17.79 18.41 1k8b h ALA 58 CO -0.41 -0.40 0.01 -0.39 0.00 0.00 0.00 179.25 178.06 1k8b h VAL 59 N 0.09 0.52 -1.12 0.00 -1.51 0.30 1.01 116.25 115.54 1k8b h VAL 59 Ca 0.31 -0.04 0.32 0.00 -1.23 0.00 0.00 66.70 66.06 1k8b h VAL 59 Cb 0.50 0.39 -0.11 0.00 -2.13 0.00 0.00 31.29 29.94 1k8b h VAL 59 CO -0.54 0.02 0.72 -1.13 -1.23 0.00 0.00 177.57 175.40 1k8b h ASN 60 N 0.12 0.39 0.03 4.19 -1.24 -0.96 -1.08 115.58 117.03 1k8b h ASN 60 Ca 0.31 0.10 -0.00 0.00 0.71 0.00 0.00 56.30 57.42 1k8b h ASN 60 Cb 0.49 0.05 0.00 0.00 0.73 0.00 0.00 38.32 39.59 1k8b h ASN 60 CO -0.50 -0.00 -0.01 0.03 -1.29 0.00 0.00 177.43 175.66 1k8b h ARG 61 N 0.30 -0.03 -0.10 6.67 -0.00 0.80 -3.47 114.38 118.54 1k8b h ARG 61 Ca 0.66 0.00 0.03 0.00 -0.50 0.00 0.00 59.98 60.17 1k8b h ARG 61 Cb 1.82 0.01 -0.15 0.00 0.00 0.00 0.00 29.97 31.65 1k8b h ARG 61 CO -0.34 -0.02 -0.08 -0.40 0.00 0.00 0.00 179.97 179.12 1k8b n ASP 62 N -2.75 -1.25 -0.29 7.04 5.68 0.22 -5.02 116.55 120.18 1k8b n ASP 62 Ca -0.00 -0.78 0.10 0.00 -0.50 0.00 0.00 54.79 53.61 1k8b n ASP 62 Cb 0.01 0.63 0.26 0.00 -1.14 0.00 0.00 41.12 40.88 1k8b n ASP 62 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1k8b h GLU 63 N 4.06 0.39 0.18 0.11 4.11 -1.43 0.25 114.58 122.25 1k8b h GLU 63 Ca -0.02 -0.02 0.01 0.00 0.07 0.00 0.00 59.36 59.40 1k8b h GLU 63 Cb 1.17 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 30.29 1k8b h GLU 63 CO -0.13 0.26 -0.44 0.93 0.07 0.00 0.00 179.01 179.70 1k8b h GLU 64 N 0.40 -0.69 -0.54 1.06 5.08 -1.90 -2.20 114.58 115.79 1k8b h GLU 64 Ca 0.51 0.05 0.11 0.00 -1.00 0.00 0.00 59.36 59.02 1k8b h GLU 64 Cb 0.91 0.16 -0.09 0.00 0.50 0.00 0.00 28.75 30.22 1k8b h GLU 64 CO -0.50 -0.46 -0.00 0.35 -1.00 0.00 0.00 179.01 177.40 1k8b h PHE 65 N -0.72 -0.04 0.14 4.33 3.04 -1.02 -3.01 116.94 119.66 1k8b h PHE 65 Ca 0.01 0.04 -0.00 0.00 3.98 0.00 0.00 57.97 61.99 1k8b h PHE 65 Cb 0.72 0.10 -0.01 0.00 2.56 0.00 0.00 35.95 39.32 1k8b h PHE 65 CO -0.36 -0.13 -0.19 0.35 -2.02 0.00 0.00 178.31 175.96 1k8b h PHE 66 N 0.11 -0.52 -0.98 0.41 3.57 -0.34 -2.37 116.94 116.82 1k8b h PHE 66 Ca 0.28 0.01 0.28 0.00 3.53 0.00 0.00 57.97 62.06 1k8b h PHE 66 Cb 0.43 0.21 -0.18 0.00 2.79 0.00 0.00 35.95 39.20 1k8b h PHE 66 CO -0.34 -0.24 0.08 0.00 -2.23 0.00 0.00 178.31 175.58 1k8b h ALA 67 N -1.37 1.25 -0.84 2.41 0.00 -1.43 3.61 119.26 122.89 1k8b h ALA 67 Ca -0.02 0.33 0.19 0.00 0.00 0.00 0.00 54.91 55.41 1k8b h ALA 67 Cb 0.30 0.56 -0.15 0.00 0.00 0.00 0.00 17.79 18.50 1k8b h ALA 67 CO -0.05 -0.60 -0.10 0.87 0.00 0.00 0.00 179.25 179.38 1k8b h LYS 68 N 0.02 0.03 -0.59 0.00 1.57 -1.31 0.36 116.57 116.65 1k8b h LYS 68 Ca 0.62 -0.00 0.12 0.00 -1.87 0.00 0.00 60.65 59.51 1k8b h LYS 68 Cb 1.31 -0.01 -0.12 0.00 0.08 0.00 0.00 32.23 33.49 1k8b h LYS 68 CO -0.90 0.02 -0.23 1.88 -0.57 0.00 0.00 179.45 179.66 1k8b h TYR 69 N 0.04 -0.56 -0.84 -1.35 0.05 0.72 0.40 116.97 115.42 1k8b h TYR 69 Ca 0.44 0.06 0.20 0.00 0.05 0.00 0.00 58.73 59.48 1k8b h TYR 69 Cb 0.76 0.34 -0.15 0.00 1.01 0.00 0.00 36.73 38.68 1k8b h TYR 69 CO -0.55 -0.32 -0.01 1.25 -1.05 0.00 0.00 178.16 177.48 1k8b h LEU 70 N -0.08 -0.42 -0.09 3.88 7.12 -0.01 1.12 115.31 126.84 1k8b h LEU 70 Ca 0.27 0.23 -0.01 0.00 0.13 0.00 0.00 57.88 58.50 1k8b h LEU 70 Cb 0.50 0.40 -0.00 0.00 -0.53 0.00 0.00 40.66 41.03 1k8b h LEU 70 CO -0.65 -0.24 0.03 0.25 -0.13 0.00 0.00 178.44 177.70 1k8b h LEU 71 N 0.07 0.12 -0.71 2.25 5.85 -0.16 -0.14 115.31 122.59 1k8b h LEU 71 Ca 0.47 -0.20 0.16 0.00 0.84 0.00 0.00 57.88 59.15 1k8b h LEU 71 Cb 0.87 -0.03 -0.13 0.00 0.37 0.00 0.00 40.66 41.74 1k8b h LEU 71 CO -0.76 0.29 -0.02 0.11 -0.34 0.00 0.00 178.44 177.71 1k8b h LYS 72 N -0.05 0.09 -0.02 1.25 1.57 0.45 1.04 116.57 120.91 1k8b h LYS 72 Ca 0.03 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1k8b h LYS 72 Cb 0.21 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.50 1k8b h LYS 72 CO -0.00 0.06 0.01 0.93 -0.57 0.00 0.00 179.45 179.87 1k8b h GLU 73 N 0.09 0.03 0.00 3.15 4.39 0.74 -3.34 114.58 119.63 1k8b h GLU 73 Ca 0.38 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 60.07 1k8b h GLU 73 Cb 0.64 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.29 1k8b h GLU 73 CO -0.64 0.19 0.00 0.25 -1.16 0.00 0.00 179.01 177.65 1k8b n THR 74 N -4.99 0.00 0.00 1.13 -2.24 -0.01 -5.00 114.28 103.17 1k8b n THR 74 Ca -0.07 1.22 0.00 0.00 -2.27 0.00 0.00 64.05 62.93 1k8b n THR 74 Cb 0.11 -2.21 0.00 0.00 -2.10 0.00 0.00 70.33 66.13 1k8b n THR 74 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1k8b n GLY 75 N -0.20 3.87 0.00 3.38 0.00 0.34 -5.04 105.19 107.53 1k8b n GLY 75 Ca 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.07 1k8b n GLY 75 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1k8b n SER 76 N 0.00 0.00 -3.66 1.61 7.64 -1.26 -4.95 113.62 112.99 1k8b n SER 76 Ca 0.00 0.00 -0.15 0.00 1.01 0.00 0.00 58.87 59.73 1k8b n SER 76 Cb 0.00 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.13 1k8b n SER 76 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1k8b s ALA 77 N -2.21 -1.14 0.11 -0.43 0.00 -1.03 -5.07 121.76 111.99 1k8b s ALA 77 Ca 0.00 0.62 0.05 0.00 0.00 0.00 0.00 51.96 52.63 1k8b s ALA 77 Cb 0.00 0.13 -0.04 0.00 0.00 0.00 0.00 23.12 23.21 1k8b s ALA 77 CO 0.00 -0.35 -0.13 0.20 0.00 0.00 0.00 175.76 175.48 1k8b s GLY 78 N -1.47 1.00 -0.02 0.00 0.00 -1.26 -1.51 107.32 104.05 1k8b s GLY 78 Ca -0.11 -1.24 0.03 0.00 0.00 0.00 0.00 44.72 43.41 1k8b s GLY 78 CO 0.04 -1.30 -0.12 -1.31 0.00 0.00 0.00 173.10 170.41 1k8b s ASN 79 N -2.39 1.50 -0.06 1.64 0.01 -1.04 -4.89 114.94 109.71 1k8b s ASN 79 Ca 0.07 -0.23 0.04 0.00 -0.71 0.00 0.00 52.86 52.02 1k8b s ASN 79 Cb -0.05 -0.30 -0.02 0.00 0.41 0.00 0.00 41.25 41.29 1k8b s ASN 79 CO 0.02 0.12 -0.17 -1.48 -1.51 0.00 0.00 177.10 174.08 1k8b s LEU 80 N -0.05 2.53 -0.02 0.60 0.05 -1.26 -1.78 118.68 118.75 1k8b s LEU 80 Ca 0.00 -0.31 0.05 0.00 0.05 0.00 0.00 54.13 53.92 1k8b s LEU 80 Cb -0.07 -1.50 -0.01 0.00 -2.05 0.00 0.00 46.19 42.55 1k8b s LEU 80 CO 0.00 0.29 -0.17 -1.61 -0.55 0.00 0.00 176.35 174.31 1k8b s GLU 81 N -0.42 1.47 0.00 1.48 8.01 -0.92 -4.99 118.70 123.33 1k8b s GLU 81 Ca 0.05 -0.61 -0.23 0.00 0.01 0.00 0.00 54.97 54.18 1k8b s GLU 81 Cb -0.12 -1.39 -0.29 0.00 -4.31 0.00 0.00 34.13 28.02 1k8b s GLU 81 CO 0.02 0.35 1.43 0.41 0.01 0.00 0.00 175.26 177.47 1k8b n GLY 82 N 2.75 0.74 0.00 -1.39 0.00 -1.26 -2.13 105.19 103.91 1k8b n GLY 82 Ca -0.15 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.16 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 4.73 0.54 3.02 -0.02 0.00 -1.26 -5.12 105.19 107.08 1k8b n GLY 83 Ca 0.36 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.23 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 0.53 -0.13 1.61 1.70 -0.90 -2.45 118.95 119.30 1k8b s ARG 84 Ca 0.00 -0.49 -0.04 0.00 -0.47 0.00 0.00 55.73 54.72 1k8b s ARG 84 Cb 0.00 -0.41 -0.04 0.00 -0.57 0.00 0.00 34.95 33.93 1k8b s ARG 84 CO 0.00 0.10 0.03 -0.48 -1.08 0.00 0.00 175.30 173.87 1k8b s LEU 85 N -0.86 3.71 -0.03 -1.89 0.05 -0.75 -2.16 118.68 116.75 1k8b s LEU 85 Ca -0.03 0.13 0.07 0.00 0.05 0.00 0.00 54.13 54.35 1k8b s LEU 85 Cb -0.06 -1.89 -0.02 0.00 -2.05 0.00 0.00 46.19 42.17 1k8b s LEU 85 CO 0.00 0.29 -0.25 -0.63 -0.55 0.00 0.00 176.35 175.21 1k8b s ILE 86 N -0.34 2.08 -0.05 1.48 1.01 -0.73 -0.89 121.20 123.76 1k8b s ILE 86 Ca 0.08 -1.09 0.06 0.00 0.00 0.00 0.00 60.65 59.70 1k8b s ILE 86 Cb -0.12 -1.72 -0.01 0.00 0.01 0.00 0.00 42.46 40.62 1k8b s ILE 86 CO 0.02 0.58 -0.23 -1.48 0.00 0.00 0.00 174.94 173.82 1k8b s LEU 87 N -0.50 2.03 -0.34 2.97 -0.00 -0.70 -2.49 118.68 119.66 1k8b s LEU 87 Ca 0.06 -0.46 -0.01 0.00 -0.00 0.00 0.00 54.13 53.72 1k8b s LEU 87 Cb -0.11 -1.26 0.08 0.00 -0.00 0.00 0.00 46.19 44.90 1k8b s LEU 87 CO 0.00 0.24 0.07 -1.58 -0.00 0.00 0.00 176.35 175.09 1k8b s GLN 88 N -0.22 2.09 0.00 1.48 0.74 -0.57 -2.25 119.66 120.93 1k8b s GLN 88 Ca -0.00 -1.58 0.00 0.00 0.05 0.00 0.00 55.36 53.83 1k8b s GLN 88 Cb -0.12 -3.31 0.00 0.00 1.10 0.00 0.00 33.01 30.68 1k8b s GLN 88 CO 0.02 -0.83 0.00 -2.13 -0.55 0.00 0.00 175.29 171.80 1k8b n ARG 89 N 4.53 0.00 -0.19 1.67 0.63 -1.25 -2.47 116.66 119.59 1k8b n ARG 89 Ca -0.06 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.87 1k8b n ARG 89 Cb 0.42 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.33 1k8b n ARG 89 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99