#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 1.81 -0.04 -3.67 -5.25 -1.26 -1.79 121.20 111.00 1k8b s ILE 40 Ca 0.00 -0.91 0.03 0.00 -0.99 0.00 0.00 60.65 58.78 1k8b s ILE 40 Cb 0.00 -1.56 0.01 0.00 2.95 0.00 0.00 42.46 43.86 1k8b s ILE 40 CO 0.00 0.51 -0.11 -0.76 -1.79 0.00 0.00 174.94 172.79 1k8b s LEU 41 N 0.11 1.73 -0.10 0.37 2.01 -0.99 -5.01 118.68 116.81 1k8b s LEU 41 Ca -0.09 -0.24 0.04 0.00 0.01 0.00 0.00 54.13 53.85 1k8b s LEU 41 Cb -0.15 -0.68 -0.00 0.00 0.01 0.00 0.00 46.19 45.37 1k8b s LEU 41 CO 0.05 0.06 -0.23 0.27 1.01 0.00 0.00 176.35 177.51 1k8b s ILE 42 N 0.34 2.19 -0.02 -0.59 -0.00 -1.26 -1.95 121.20 119.92 1k8b s ILE 42 Ca -0.07 -0.98 0.02 0.00 -0.00 0.00 0.00 60.65 59.62 1k8b s ILE 42 Cb -0.11 -1.84 0.00 0.00 -0.00 0.00 0.00 42.46 40.51 1k8b s ILE 42 CO 0.02 0.56 -0.06 -1.61 -0.00 0.00 0.00 174.94 173.85 1k8b s GLU 43 N 0.26 0.58 1.55 0.37 0.41 -1.00 -5.00 118.70 115.86 1k8b s GLU 43 Ca -0.16 -0.18 0.00 0.00 -0.41 0.00 0.00 54.97 54.22 1k8b s GLU 43 Cb -0.17 -0.58 0.00 0.00 -1.78 0.00 0.00 34.13 31.60 1k8b s GLU 43 CO 0.08 0.07 0.00 0.41 -0.49 0.00 0.00 175.26 175.33 1k8b n GLY 44 N 3.26 0.26 0.00 -1.39 0.00 -1.26 -1.69 105.19 104.37 1k8b n GLY 44 Ca -0.17 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.39 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 2.74 0.00 -4.49 1.61 6.94 -1.26 -5.09 115.26 115.71 1k8b n ASN 45 Ca 0.00 -0.49 -0.33 0.00 -0.02 0.00 0.00 54.58 53.74 1k8b n ASN 45 Cb 0.00 0.00 -0.13 0.00 -2.36 0.00 0.00 39.78 37.29 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 2.76 -0.03 -3.83 1.70 -0.68 -3.93 118.95 114.93 1k8b s ARG 46 Ca 0.00 -0.64 0.07 0.00 -0.47 0.00 0.00 55.73 54.68 1k8b s ARG 46 Cb 0.00 -2.50 -0.01 0.00 -0.57 0.00 0.00 34.95 31.86 1k8b s ARG 46 CO 0.00 0.56 -0.23 0.99 -1.08 0.00 0.00 175.30 175.53 1k8b s THR 47 N -0.54 1.87 -0.08 4.99 2.01 -0.93 -2.38 115.64 120.57 1k8b s THR 47 Ca 0.08 -0.99 0.00 0.00 0.31 0.00 0.00 61.69 61.08 1k8b s THR 47 Cb -0.12 -1.57 -0.03 0.00 0.01 0.00 0.00 72.50 70.80 1k8b s THR 47 CO 0.02 0.53 -0.07 -0.51 -0.69 0.00 0.00 174.62 173.89 1k8b s ILE 48 N -0.38 3.64 -0.11 1.82 2.07 -0.82 -1.71 121.20 125.72 1k8b s ILE 48 Ca 0.04 -0.49 0.03 0.00 -1.41 0.00 0.00 60.65 58.82 1k8b s ILE 48 Cb -0.11 -2.50 0.00 0.00 0.13 0.00 0.00 42.46 39.98 1k8b s ILE 48 CO 0.01 0.58 -0.23 -0.63 -1.91 0.00 0.00 174.94 172.76 1k8b s ILE 49 N -0.56 2.15 -1.13 2.00 1.01 0.86 -2.34 121.20 123.19 1k8b s ILE 49 Ca 0.08 -0.98 -0.07 0.00 0.00 0.00 0.00 60.65 59.68 1k8b s ILE 49 Cb -0.12 -1.83 -0.03 0.00 0.01 0.00 0.00 42.46 40.49 1k8b s ILE 49 CO 0.02 0.55 2.86 0.54 0.00 0.00 0.00 174.94 178.92 1k8b n ARG 50 N 3.63 3.57 -0.20 2.79 1.74 -0.74 -1.93 116.66 125.52 1k8b n ARG 50 Ca -0.19 -2.44 0.02 0.00 -0.77 0.00 0.00 57.85 54.47 1k8b n ARG 50 Cb 0.53 -2.54 0.10 0.00 -1.02 0.00 0.00 32.46 29.52 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 2.49 1.95 -0.32 0.55 2.85 -1.26 -4.54 115.26 116.98 1k8b n ASN 51 Ca 0.64 -2.19 0.19 0.00 -0.11 0.00 0.00 54.58 53.11 1k8b n ASN 51 Cb 0.38 -0.47 0.38 0.00 1.24 0.00 0.00 39.78 41.31 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 0.99 0.48 0.00 1.20 3.57 -1.76 0.15 116.94 121.56 1k8b h PHE 52 Ca 0.00 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.55 1k8b h PHE 52 Cb 0.75 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.44 1k8b h PHE 52 CO 0.24 -0.29 0.00 -2.13 -2.23 0.00 0.00 178.31 173.91 1k8b n ARG 53 N -5.24 0.00 -0.14 1.11 0.63 -1.26 0.62 116.66 112.38 1k8b n ARG 53 Ca 0.26 0.29 -0.04 0.00 -0.92 0.00 0.00 57.85 57.45 1k8b n ARG 53 Cb 0.85 -1.19 0.04 0.00 0.45 0.00 0.00 32.46 32.61 1k8b n ARG 53 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1k8b h GLU 54 N 0.00 0.06 -0.71 -0.14 5.08 -1.92 -0.38 114.58 116.57 1k8b h GLU 54 Ca 0.00 -0.00 0.15 0.00 -1.00 0.00 0.00 59.36 58.51 1k8b h GLU 54 Cb 0.00 -0.01 -0.11 0.00 0.50 0.00 0.00 28.75 29.13 1k8b h GLU 54 CO 0.00 0.04 0.14 1.25 -1.00 0.00 0.00 179.01 179.44 1k8b h LEU 55 N 0.07 -0.04 -0.53 1.33 6.46 -0.72 -1.26 115.31 120.62 1k8b h LEU 55 Ca 0.22 0.15 0.10 0.00 -0.12 0.00 0.00 57.88 58.23 1k8b h LEU 55 Cb 0.33 0.21 -0.11 0.00 -0.73 0.00 0.00 40.66 40.36 1k8b h LEU 55 CO -0.40 -0.05 -0.22 0.00 -0.62 0.00 0.00 178.44 177.15 1k8b h ALA 56 N 1.59 0.17 -0.55 1.25 0.00 0.20 1.20 119.26 123.12 1k8b h ALA 56 Ca 0.39 0.18 0.11 0.00 0.00 0.00 0.00 54.91 55.60 1k8b h ALA 56 Cb 0.66 0.56 -0.09 0.00 0.00 0.00 0.00 17.79 18.91 1k8b h ALA 56 CO -0.51 -0.54 -0.02 0.87 0.00 0.00 0.00 179.25 179.04 1k8b h LYS 57 N -0.10 0.09 -0.54 0.00 6.56 -1.12 0.13 116.57 121.60 1k8b h LYS 57 Ca 0.24 -0.01 0.11 0.00 -1.06 0.00 0.00 60.65 59.94 1k8b h LYS 57 Cb 0.48 -0.02 -0.09 0.00 -0.57 0.00 0.00 32.23 32.03 1k8b h LYS 57 CO -0.59 0.06 0.01 0.00 -2.06 0.00 0.00 179.45 176.87 1k8b h ALA 58 N 1.51 0.53 -0.58 3.86 0.00 0.16 -1.98 119.26 122.75 1k8b h ALA 58 Ca 0.28 0.16 0.12 0.00 0.00 0.00 0.00 54.91 55.47 1k8b h ALA 58 Cb 0.44 0.27 -0.10 0.00 0.00 0.00 0.00 17.79 18.39 1k8b h ALA 58 CO -0.49 -0.38 -0.06 -0.39 0.00 0.00 0.00 179.25 177.94 1k8b h VAL 59 N 0.13 0.48 -1.02 0.00 -1.51 0.28 1.82 116.25 116.42 1k8b h VAL 59 Ca 0.28 -0.02 0.26 0.00 -1.23 0.00 0.00 66.70 65.99 1k8b h VAL 59 Cb 0.42 0.41 -0.08 0.00 -2.13 0.00 0.00 31.29 29.91 1k8b h VAL 59 CO -0.45 0.01 0.68 0.78 -1.23 0.00 0.00 177.57 177.36 1k8b h ASN 60 N 0.07 0.36 -0.59 4.19 2.35 -1.14 1.25 115.58 122.07 1k8b h ASN 60 Ca 0.29 0.06 -0.16 0.00 -0.55 0.00 0.00 56.30 55.95 1k8b h ASN 60 Cb 0.46 0.00 -0.09 0.00 0.05 0.00 0.00 38.32 38.74 1k8b h ASN 60 CO -0.54 0.09 0.16 -1.14 -1.65 0.00 0.00 177.43 174.35 1k8b n ARG 61 N -4.53 3.40 -0.95 0.81 0.63 0.55 -4.94 116.66 111.62 1k8b n ARG 61 Ca 0.24 -3.06 0.00 0.00 -0.92 0.00 0.00 57.85 54.11 1k8b n ARG 61 Cb 0.89 -2.10 0.00 0.00 0.45 0.00 0.00 32.46 31.70 1k8b n ARG 61 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 1k8b n ASP 62 N -0.31 -1.27 -0.26 6.15 -0.08 0.43 -4.86 116.55 116.35 1k8b n ASP 62 Ca 0.35 0.00 0.03 0.00 -1.51 0.00 0.00 54.79 53.66 1k8b n ASP 62 Cb 1.24 -0.64 0.16 0.00 2.34 0.00 0.00 41.12 44.22 1k8b n ASP 62 CO 0.00 0.00 0.00 1.05 0.12 0.00 0.00 177.20 178.37 1k8b h GLU 63 N 0.00 0.57 -0.67 -0.67 9.09 -1.31 0.35 114.58 121.93 1k8b h GLU 63 Ca 0.00 -0.03 0.13 0.00 0.05 0.00 0.00 59.36 59.51 1k8b h GLU 63 Cb 0.00 -0.13 -0.13 0.00 -1.65 0.00 0.00 28.75 26.84 1k8b h GLU 63 CO 0.00 0.38 -0.18 0.93 0.05 0.00 0.00 179.01 180.19 1k8b h GLU 64 N 0.58 -0.01 -0.32 1.06 5.08 -1.89 0.92 114.58 120.00 1k8b h GLU 64 Ca 0.38 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.79 1k8b h GLU 64 Cb 0.45 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.65 1k8b h GLU 64 CO -0.30 -0.01 0.01 0.35 -1.00 0.00 0.00 179.01 178.06 1k8b h PHE 65 N -0.01 0.00 0.31 4.33 3.57 -1.26 -3.00 116.94 120.88 1k8b h PHE 65 Ca 0.32 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.83 1k8b h PHE 65 Cb 0.50 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.27 1k8b h PHE 65 CO -0.55 -0.04 -0.34 0.35 -2.23 0.00 0.00 178.31 175.50 1k8b h PHE 66 N 0.11 -0.95 -0.97 0.41 3.57 -0.50 -2.17 116.94 116.44 1k8b h PHE 66 Ca 0.16 0.01 0.28 0.00 3.53 0.00 0.00 57.97 61.94 1k8b h PHE 66 Cb 0.20 0.37 -0.18 0.00 2.79 0.00 0.00 35.95 39.14 1k8b h PHE 66 CO -0.22 -0.44 0.09 0.00 -2.23 0.00 0.00 178.31 175.50 1k8b h ALA 67 N -1.16 1.24 -0.90 2.41 0.00 -1.48 2.99 119.26 122.37 1k8b h ALA 67 Ca -0.04 0.32 0.23 0.00 0.00 0.00 0.00 54.91 55.42 1k8b h ALA 67 Cb 0.58 0.54 -0.16 0.00 0.00 0.00 0.00 17.79 18.75 1k8b h ALA 67 CO -0.06 -0.59 0.01 -0.22 0.00 0.00 0.00 179.25 178.40 1k8b h LYS 68 N 0.03 0.06 0.10 0.00 1.63 -1.25 0.43 116.57 117.57 1k8b h LYS 68 Ca 0.61 -0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 60.40 1k8b h LYS 68 Cb 1.28 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.88 1k8b h LYS 68 CO -0.87 0.04 -0.18 1.88 -3.45 0.00 0.00 179.45 176.86 1k8b h TYR 69 N 0.06 -0.51 -0.82 1.91 0.05 0.57 0.50 116.97 118.72 1k8b h TYR 69 Ca 0.52 0.01 0.19 0.00 0.05 0.00 0.00 58.73 59.50 1k8b h TYR 69 Cb 1.00 0.21 -0.15 0.00 1.01 0.00 0.00 36.73 38.80 1k8b h TYR 69 CO -0.47 -0.22 -0.04 1.25 -1.05 0.00 0.00 178.16 177.62 1k8b h LEU 70 N -0.30 -0.48 -0.30 3.88 6.46 -0.91 0.90 115.31 124.56 1k8b h LEU 70 Ca -0.01 0.23 0.05 0.00 -0.12 0.00 0.00 57.88 58.02 1k8b h LEU 70 Cb 0.28 0.41 -0.05 0.00 -0.73 0.00 0.00 40.66 40.58 1k8b h LEU 70 CO -0.06 -0.24 0.02 0.25 -0.62 0.00 0.00 178.44 177.79 1k8b h LEU 71 N 0.06 -0.08 -0.66 2.25 7.12 -0.54 -0.95 115.31 122.51 1k8b h LEU 71 Ca 0.45 0.06 0.14 0.00 0.13 0.00 0.00 57.88 58.66 1k8b h LEU 71 Cb 0.79 0.10 -0.11 0.00 -0.53 0.00 0.00 40.66 40.92 1k8b h LEU 71 CO -0.76 -0.01 0.04 0.11 -0.13 0.00 0.00 178.44 177.69 1k8b h LYS 72 N 0.11 0.14 -0.49 1.25 1.79 0.58 0.62 116.57 120.58 1k8b h LYS 72 Ca 0.14 -0.01 0.10 0.00 -2.18 0.00 0.00 60.65 58.70 1k8b h LYS 72 Cb 0.18 -0.03 -0.09 0.00 -1.58 0.00 0.00 32.23 30.71 1k8b h LYS 72 CO -0.23 0.09 -0.09 0.93 -1.08 0.00 0.00 179.45 179.07 1k8b h GLU 73 N 0.14 0.02 0.00 3.15 5.08 0.41 -3.25 114.58 120.13 1k8b h GLU 73 Ca 0.35 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.71 1k8b h GLU 73 Cb 0.59 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1k8b h GLU 73 CO -0.55 0.01 0.00 0.25 -1.00 0.00 0.00 179.01 177.73 1k8b n THR 74 N -5.33 0.00 0.00 1.13 -2.24 -0.06 -5.05 114.28 102.73 1k8b n THR 74 Ca 0.04 0.92 0.00 0.00 -2.27 0.00 0.00 64.05 62.75 1k8b n THR 74 Cb 0.26 -1.89 0.00 0.00 -2.10 0.00 0.00 70.33 66.60 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 0.67 0.75 0.00 3.38 0.00 0.01 -5.06 105.19 104.95 1k8b n GLY 75 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.39 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 -3.74 1.61 7.64 -1.26 -4.72 113.62 113.15 1k8b n SER 76 Ca 0.00 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.75 1k8b n SER 76 Cb 0.00 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.09 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 -1.00 -0.90 0.02 -0.43 0.00 -1.06 -5.06 121.76 113.34 1k8b s ALA 77 Ca 0.00 1.07 0.04 0.00 0.00 0.00 0.00 51.96 53.07 1k8b s ALA 77 Cb 0.00 -0.63 -0.02 0.00 0.00 0.00 0.00 23.12 22.48 1k8b s ALA 77 CO 0.00 -0.18 -0.13 0.20 0.00 0.00 0.00 175.76 175.65 1k8b s GLY 78 N 0.35 0.68 -0.02 0.00 0.00 -1.26 -1.54 107.32 105.54 1k8b s GLY 78 Ca -0.01 -0.69 0.03 0.00 0.00 0.00 0.00 44.72 44.05 1k8b s GLY 78 CO -0.01 -0.65 -0.11 0.21 0.00 0.00 0.00 173.10 172.54 1k8b s ASN 79 N -0.82 1.42 -0.04 1.64 2.47 -0.98 -4.82 114.94 113.81 1k8b s ASN 79 Ca 0.02 -0.22 0.06 0.00 0.42 0.00 0.00 52.86 53.14 1k8b s ASN 79 Cb -0.07 -0.26 -0.01 0.00 -1.45 0.00 0.00 41.25 39.46 1k8b s ASN 79 CO 0.01 0.12 -0.22 -0.22 -3.72 0.00 0.00 177.10 173.07 1k8b s LEU 80 N -0.09 2.02 -0.03 3.21 0.20 -1.26 -1.96 118.68 120.77 1k8b s LEU 80 Ca 0.01 -0.43 0.03 0.00 0.69 0.00 0.00 54.13 54.44 1k8b s LEU 80 Cb -0.07 -1.18 -0.00 0.00 -0.43 0.00 0.00 46.19 44.51 1k8b s LEU 80 CO 0.00 0.24 -0.12 -1.61 -0.29 0.00 0.00 176.35 174.56 1k8b s GLU 81 N -0.27 1.25 0.00 1.98 0.41 -1.01 -4.91 118.70 116.14 1k8b s GLU 81 Ca 0.02 -0.44 0.00 0.00 -0.41 0.00 0.00 54.97 54.14 1k8b s GLU 81 Cb -0.11 -1.14 0.00 0.00 -1.78 0.00 0.00 34.13 31.10 1k8b s GLU 81 CO 0.01 0.19 0.00 0.41 -0.49 0.00 0.00 175.26 175.38 1k8b n GLY 82 N 3.14 -0.14 0.08 -1.39 0.00 -1.26 -1.94 105.19 103.67 1k8b n GLY 82 Ca -0.17 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 0.57 3.77 -0.02 0.00 -1.26 -4.98 105.19 103.27 1k8b n GLY 83 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1k8b n GLY 83 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1k8b s ARG 84 N 0.00 3.13 -0.13 1.61 0.52 -0.82 -2.74 118.95 120.53 1k8b s ARG 84 Ca 0.00 -0.37 -0.04 0.00 -0.52 0.00 0.00 55.73 54.79 1k8b s ARG 84 Cb 0.00 -2.91 -0.04 0.00 0.52 0.00 0.00 34.95 32.52 1k8b s ARG 84 CO 0.00 0.70 0.03 -1.17 0.02 0.00 0.00 175.30 174.88 1k8b s LEU 85 N -1.27 3.72 -0.04 2.53 1.98 -0.81 -2.42 118.68 122.37 1k8b s LEU 85 Ca 0.18 0.14 0.05 0.00 -2.89 0.00 0.00 54.13 51.60 1k8b s LEU 85 Cb -0.12 -1.89 -0.01 0.00 0.66 0.00 0.00 46.19 44.84 1k8b s LEU 85 CO 0.08 0.30 -0.19 -0.63 -1.89 0.00 0.00 176.35 174.02 1k8b s ILE 86 N -0.40 1.55 -0.05 6.68 1.01 -0.83 -0.10 121.20 129.07 1k8b s ILE 86 Ca 0.08 -0.80 0.06 0.00 0.00 0.00 0.00 60.65 60.00 1k8b s ILE 86 Cb -0.12 -1.31 -0.01 0.00 0.01 0.00 0.00 42.46 41.02 1k8b s ILE 86 CO 0.02 0.44 -0.23 -1.48 0.00 0.00 0.00 174.94 173.69 1k8b s LEU 87 N -0.12 2.04 -0.33 2.97 2.34 -0.69 -2.32 118.68 122.57 1k8b s LEU 87 Ca -0.01 -0.47 0.02 0.00 0.06 0.00 0.00 54.13 53.73 1k8b s LEU 87 Cb -0.11 -1.27 0.08 0.00 -0.56 0.00 0.00 46.19 44.33 1k8b s LEU 87 CO 0.02 0.24 0.03 -1.10 -1.06 0.00 0.00 176.35 174.48 1k8b s GLN 88 N -0.23 1.89 0.32 1.48 -0.21 -0.59 -2.19 119.66 120.13 1k8b s GLN 88 Ca -0.01 -1.65 -0.04 0.00 0.02 0.00 0.00 55.36 53.68 1k8b s GLN 88 Cb -0.12 -3.19 0.07 0.00 1.00 0.00 0.00 33.01 30.77 1k8b s GLN 88 CO 0.02 -0.82 0.44 -2.13 -2.12 0.00 0.00 175.29 170.68 1k8b n ARG 89 N 4.40 -0.17 0.00 2.91 0.63 -1.25 -2.55 116.66 120.62 1k8b n ARG 89 Ca -0.04 -0.83 0.14 0.00 -0.92 0.00 0.00 57.85 56.21 1k8b n ARG 89 Cb 0.42 -0.40 0.52 0.00 0.45 0.00 0.00 32.46 33.45 1k8b n ARG 89 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66