#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 3.85 -0.04 -3.67 1.01 -1.26 -1.66 121.20 119.43 1k8b s ILE 40 Ca 0.00 -0.39 0.02 0.00 0.00 0.00 0.00 60.65 60.29 1k8b s ILE 40 Cb 0.00 -2.66 0.01 0.00 0.01 0.00 0.00 42.46 39.82 1k8b s ILE 40 CO 0.00 0.53 -0.09 -0.76 0.00 0.00 0.00 174.94 174.61 1k8b s LEU 41 N 0.02 1.69 -0.10 2.97 1.43 -0.99 -5.01 118.68 118.69 1k8b s LEU 41 Ca 0.00 -0.20 0.04 0.00 -1.03 0.00 0.00 54.13 52.93 1k8b s LEU 41 Cb -0.13 -0.60 -0.00 0.00 0.03 0.00 0.00 46.19 45.48 1k8b s LEU 41 CO 0.03 0.04 -0.22 -0.63 0.23 0.00 0.00 176.35 175.80 1k8b s ILE 42 N 0.39 2.23 -0.02 -0.59 1.01 -1.26 -1.91 121.20 121.06 1k8b s ILE 42 Ca -0.07 -0.97 0.02 0.00 0.00 0.00 0.00 60.65 59.64 1k8b s ILE 42 Cb -0.11 -1.86 0.00 0.00 0.01 0.00 0.00 42.46 40.50 1k8b s ILE 42 CO 0.01 0.56 -0.07 -1.61 0.00 0.00 0.00 174.94 173.83 1k8b s GLU 43 N 0.23 0.68 1.53 2.79 2.02 -1.01 -5.00 118.70 119.94 1k8b s GLU 43 Ca -0.15 -0.22 0.00 0.00 0.02 0.00 0.00 54.97 54.62 1k8b s GLU 43 Cb -0.17 -0.66 0.00 0.00 0.10 0.00 0.00 34.13 33.40 1k8b s GLU 43 CO 0.07 0.09 0.00 0.41 0.02 0.00 0.00 175.26 175.86 1k8b n GLY 44 N 3.23 0.24 0.00 -1.39 0.00 -1.26 -1.75 105.19 104.26 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 2.52 0.00 -4.45 1.61 6.94 -1.26 -5.03 115.26 115.59 1k8b n ASN 45 Ca 0.00 -0.57 -0.33 0.00 -0.02 0.00 0.00 54.58 53.66 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 2.64 -0.04 -3.83 1.70 -0.71 -2.13 118.95 116.57 1k8b s ARG 46 Ca 0.00 -0.70 0.07 0.00 -0.47 0.00 0.00 55.73 54.63 1k8b s ARG 46 Cb 0.00 -2.41 -0.01 0.00 -0.57 0.00 0.00 34.95 31.96 1k8b s ARG 46 CO 0.00 0.55 -0.25 0.99 -1.08 0.00 0.00 175.30 175.51 1k8b s THR 47 N -0.54 1.99 -0.09 4.99 2.01 -0.90 -2.39 115.64 120.71 1k8b s THR 47 Ca 0.07 -1.05 -0.00 0.00 0.31 0.00 0.00 61.69 61.02 1k8b s THR 47 Cb -0.12 -1.67 -0.03 0.00 0.01 0.00 0.00 72.50 70.70 1k8b s THR 47 CO 0.01 0.56 -0.06 0.27 -0.69 0.00 0.00 174.62 174.72 1k8b s ILE 48 N -0.37 3.80 -0.12 1.82 -4.36 -0.80 -1.81 121.20 119.36 1k8b s ILE 48 Ca 0.03 -0.43 0.02 0.00 -0.26 0.00 0.00 60.65 60.01 1k8b s ILE 48 Cb -0.12 -2.58 -0.00 0.00 1.25 0.00 0.00 42.46 41.01 1k8b s ILE 48 CO 0.01 0.58 -0.19 -0.63 0.24 0.00 0.00 174.94 174.95 1k8b s ILE 49 N -0.55 2.51 -0.72 8.37 1.01 -0.46 -2.35 121.20 129.02 1k8b s ILE 49 Ca 0.08 -0.85 -0.05 0.00 0.00 0.00 0.00 60.65 59.83 1k8b s ILE 49 Cb -0.12 -2.01 -0.02 0.00 0.01 0.00 0.00 42.46 40.32 1k8b s ILE 49 CO 0.02 0.54 2.89 0.54 0.00 0.00 0.00 174.94 178.93 1k8b n ARG 50 N 3.65 3.03 -0.72 2.79 5.12 -0.67 -1.83 116.66 128.03 1k8b n ARG 50 Ca -0.19 -2.31 -0.14 0.00 -1.93 0.00 0.00 57.85 53.28 1k8b n ARG 50 Cb 0.53 -2.31 0.10 0.00 -1.16 0.00 0.00 32.46 29.61 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 1.78 3.66 -0.32 0.55 2.85 -1.26 -4.66 115.26 117.86 1k8b n ASN 51 Ca 0.55 -2.94 0.18 0.00 -0.11 0.00 0.00 54.58 52.26 1k8b n ASN 51 Cb 0.52 -0.72 0.36 0.00 1.24 0.00 0.00 39.78 41.18 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 0.64 0.34 0.00 1.20 3.57 -1.75 -1.72 116.94 119.22 1k8b h PHE 52 Ca 0.36 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.92 1k8b h PHE 52 Cb 1.99 0.01 0.00 0.00 2.79 0.00 0.00 35.95 40.73 1k8b h PHE 52 CO 0.91 -0.34 0.00 0.54 -2.23 0.00 0.00 178.31 177.19 1k8b n ARG 53 N -5.32 0.00 -0.21 1.11 3.00 -1.26 0.90 116.66 114.88 1k8b n ARG 53 Ca 0.26 0.62 0.02 0.00 -0.01 0.00 0.00 57.85 58.74 1k8b n ARG 53 Cb 0.85 -1.23 0.11 0.00 0.00 0.00 0.00 32.46 32.19 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 0.14 -0.62 5.56 3.07 -1.93 -0.44 114.58 120.36 1k8b h GLU 54 Ca 0.00 -0.01 0.13 0.00 -0.50 0.00 0.00 59.36 58.98 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 -0.05 1.25 -1.40 0.00 0.00 179.01 178.91 1k8b h LEU 55 N 0.15 -0.37 -0.31 1.33 5.85 -0.55 0.22 115.31 121.63 1k8b h LEU 55 Ca 0.34 0.17 0.07 0.00 0.84 0.00 0.00 57.88 59.29 1k8b h LEU 55 Cb 0.55 0.31 -0.08 0.00 0.37 0.00 0.00 40.66 41.81 1k8b h LEU 55 CO -0.52 -0.15 -0.30 0.00 -0.34 0.00 0.00 178.44 177.14 1k8b h ALA 56 N 1.59 -0.19 -0.41 1.25 0.00 0.23 0.82 119.26 122.54 1k8b h ALA 56 Ca 0.32 0.08 0.08 0.00 0.00 0.00 0.00 54.91 55.39 1k8b h ALA 56 Cb 0.51 0.63 -0.07 0.00 0.00 0.00 0.00 17.79 18.86 1k8b h ALA 56 CO -0.57 -0.72 -0.01 -0.22 0.00 0.00 0.00 179.25 177.74 1k8b h LYS 57 N -0.27 0.10 -0.52 0.00 3.64 -1.12 -0.94 116.57 117.44 1k8b h LYS 57 Ca 0.15 -0.01 0.11 0.00 -1.27 0.00 0.00 60.65 59.63 1k8b h LYS 57 Cb 0.52 -0.02 -0.09 0.00 -0.41 0.00 0.00 32.23 32.22 1k8b h LYS 57 CO -0.46 0.06 -0.05 0.00 -2.27 0.00 0.00 179.45 176.73 1k8b h ALA 58 N 1.36 0.44 -0.48 5.00 0.00 0.15 -2.11 119.26 123.63 1k8b h ALA 58 Ca 0.20 0.18 0.10 0.00 0.00 0.00 0.00 54.91 55.39 1k8b h ALA 58 Cb 0.29 0.32 -0.09 0.00 0.00 0.00 0.00 17.79 18.31 1k8b h ALA 58 CO -0.34 -0.41 -0.16 -0.39 0.00 0.00 0.00 179.25 177.94 1k8b h VAL 59 N 0.07 0.44 -1.04 0.00 -1.51 0.19 1.22 116.25 115.62 1k8b h VAL 59 Ca 0.26 0.00 0.27 0.00 -1.23 0.00 0.00 66.70 66.00 1k8b h VAL 59 Cb 0.41 0.44 -0.08 0.00 -2.13 0.00 0.00 31.29 29.93 1k8b h VAL 59 CO -0.48 0.00 0.69 -1.13 -1.23 0.00 0.00 177.57 175.41 1k8b h ASN 60 N -0.05 0.35 -0.48 4.19 -0.00 -1.20 0.93 115.58 119.32 1k8b h ASN 60 Ca 0.23 0.06 -0.15 0.00 -0.00 0.00 0.00 56.30 56.44 1k8b h ASN 60 Cb 0.40 0.01 -0.09 0.00 -0.00 0.00 0.00 38.32 38.64 1k8b h ASN 60 CO -0.52 0.08 0.10 0.54 -0.00 0.00 0.00 177.43 177.63 1k8b n ARG 61 N -4.53 2.85 -0.99 6.67 1.74 0.34 -4.94 116.66 117.79 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 -1.32 -0.25 0.55 8.00 0.32 -4.87 116.55 118.38 1k8b n ASP 62 Ca 0.33 0.00 -0.03 0.00 0.71 0.00 0.00 54.79 55.81 1k8b n ASP 62 Cb 1.14 -0.66 0.09 0.00 -0.02 0.00 0.00 41.12 41.67 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 0.78 -0.74 -1.24 4.11 -1.09 0.69 114.58 117.09 1k8b h GLU 63 Ca 0.00 -0.05 0.16 0.00 0.07 0.00 0.00 59.36 59.54 1k8b h GLU 63 Cb 0.18 -0.18 -0.14 0.00 0.50 0.00 0.00 28.75 29.12 1k8b h GLU 63 CO 0.00 0.52 -0.12 1.49 0.07 0.00 0.00 179.01 180.97 1k8b h GLU 64 N 0.81 0.03 -0.44 1.06 4.81 -1.88 0.57 114.58 119.53 1k8b h GLU 64 Ca 0.29 -0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.60 1k8b h GLU 64 Cb 0.08 -0.01 -0.07 0.00 0.63 0.00 0.00 28.75 29.39 1k8b h GLU 64 CO -0.13 0.02 0.03 0.35 -0.73 0.00 0.00 179.01 178.54 1k8b h PHE 65 N 0.03 0.03 0.17 0.92 3.57 -1.21 -2.98 116.94 117.47 1k8b h PHE 65 Ca 0.37 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.90 1k8b h PHE 65 Cb 0.60 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.39 1k8b h PHE 65 CO -0.53 -0.06 -0.20 0.35 -2.23 0.00 0.00 178.31 175.64 1k8b h PHE 66 N 0.15 -0.55 -1.00 0.41 3.57 0.63 -2.16 116.94 117.98 1k8b h PHE 66 Ca 0.22 0.01 0.29 0.00 3.53 0.00 0.00 57.97 62.02 1k8b h PHE 66 Cb 0.31 0.22 -0.19 0.00 2.79 0.00 0.00 35.95 39.08 1k8b h PHE 66 CO -0.26 -0.26 0.09 0.00 -2.23 0.00 0.00 178.31 175.65 1k8b n ALA 67 N -2.50 0.58 -0.29 2.41 0.00 -1.04 0.43 120.51 120.10 1k8b n ALA 67 Ca -0.04 1.07 0.06 0.00 0.00 0.00 0.00 53.44 54.52 1k8b n ALA 67 Cb 0.18 -0.81 0.16 0.00 0.00 0.00 0.00 19.45 18.97 1k8b n ALA 67 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1k8b h LYS 68 N 0.00 0.04 -0.77 0.00 3.64 -1.25 0.73 116.57 118.95 1k8b h LYS 68 Ca 0.64 -0.00 0.16 0.00 -1.27 0.00 0.00 60.65 60.17 1k8b h LYS 68 Cb 1.38 -0.01 -0.15 0.00 -0.41 0.00 0.00 32.23 33.04 1k8b h LYS 68 CO -0.92 0.02 -0.18 1.88 -2.27 0.00 0.00 179.45 177.99 1k8b h TYR 69 N 0.04 -0.39 -0.82 1.91 -1.99 0.94 0.93 116.97 117.60 1k8b h TYR 69 Ca 0.44 0.07 0.19 0.00 2.00 0.00 0.00 58.73 61.43 1k8b h TYR 69 Cb 0.76 0.29 -0.15 0.00 2.00 0.00 0.00 36.73 39.64 1k8b h TYR 69 CO -0.55 -0.33 -0.04 -0.07 -0.00 0.00 0.00 178.16 177.18 1k8b h LEU 70 N 0.00 -0.46 -0.09 3.88 3.38 0.75 1.01 115.31 123.79 1k8b h LEU 70 Ca 0.37 0.22 -0.01 0.00 0.09 0.00 0.00 57.88 58.56 1k8b h LEU 70 Cb 0.58 0.41 -0.00 0.00 0.09 0.00 0.00 40.66 41.73 1k8b h LEU 70 CO -0.79 -0.23 0.02 0.25 0.09 0.00 0.00 178.44 177.78 1k8b h LEU 71 N 0.06 0.13 -0.68 1.67 7.12 0.90 0.91 115.31 125.42 1k8b h LEU 71 Ca 0.45 -0.25 0.15 0.00 0.13 0.00 0.00 57.88 58.36 1k8b h LEU 71 Cb 0.79 -0.04 -0.12 0.00 -0.53 0.00 0.00 40.66 40.77 1k8b h LEU 71 CO -0.76 0.35 -0.02 0.11 -0.13 0.00 0.00 178.44 177.99 1k8b h LYS 72 N -0.09 0.09 -0.00 1.25 1.79 0.42 1.04 116.57 121.08 1k8b h LYS 72 Ca 0.03 -0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 58.49 1k8b h LYS 72 Cb 0.27 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 30.90 1k8b h LYS 72 CO 0.00 0.06 -0.01 1.49 -1.08 0.00 0.00 179.45 179.91 1k8b h GLU 73 N 0.09 0.01 0.00 3.15 4.57 0.91 -3.38 114.58 119.94 1k8b h GLU 73 Ca 0.36 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.53 1k8b h GLU 73 Cb 0.60 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.19 1k8b h GLU 73 CO -0.61 0.69 0.00 2.41 -1.18 0.00 0.00 179.01 180.32 1k8b n THR 74 N -4.75 0.00 0.00 0.32 -1.04 0.31 -4.98 114.28 104.14 1k8b n THR 74 Ca -0.09 1.41 0.00 0.00 -2.04 0.00 0.00 64.05 63.33 1k8b n THR 74 Cb 0.34 -2.40 0.00 0.00 -1.82 0.00 0.00 70.33 66.45 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 -0.76 3.69 0.00 3.41 0.00 0.35 -5.02 105.19 106.87 1k8b n GLY 75 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.04 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 -3.50 1.61 7.64 -1.26 -4.96 113.62 113.15 1k8b n SER 76 Ca 0.00 0.28 -0.13 0.00 1.01 0.00 0.00 58.87 60.02 1k8b n SER 76 Cb 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.16 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 -2.08 -1.77 0.05 -0.43 0.00 -1.01 -5.08 121.76 111.45 1k8b s ALA 77 Ca 0.00 1.10 0.05 0.00 0.00 0.00 0.00 51.96 53.11 1k8b s ALA 77 Cb 0.00 0.17 -0.02 0.00 0.00 0.00 0.00 23.12 23.26 1k8b s ALA 77 CO 0.00 -0.52 -0.14 0.20 0.00 0.00 0.00 175.76 175.30 1k8b s GLY 78 N -1.80 0.81 -0.02 0.00 0.00 -1.26 -1.57 107.32 103.48 1k8b s GLY 78 Ca -0.03 -0.90 0.03 0.00 0.00 0.00 0.00 44.72 43.82 1k8b s GLY 78 CO -0.01 -0.90 -0.12 0.21 0.00 0.00 0.00 173.10 172.28 1k8b s ASN 79 N -1.42 1.46 -0.08 1.64 2.47 -1.04 -4.80 114.94 113.18 1k8b s ASN 79 Ca -0.00 -0.23 0.01 0.00 0.42 0.00 0.00 52.86 53.06 1k8b s ASN 79 Cb -0.09 -0.27 -0.03 0.00 -1.45 0.00 0.00 41.25 39.41 1k8b s ASN 79 CO 0.02 0.12 -0.09 -0.22 -3.72 0.00 0.00 177.10 173.21 1k8b s LEU 80 N -0.08 3.05 -0.03 3.21 2.96 -1.26 -1.83 118.68 124.69 1k8b s LEU 80 Ca 0.01 -0.09 0.07 0.00 -0.22 0.00 0.00 54.13 53.90 1k8b s LEU 80 Cb -0.07 -1.67 -0.02 0.00 0.50 0.00 0.00 46.19 44.94 1k8b s LEU 80 CO 0.00 0.32 -0.25 -1.61 -1.32 0.00 0.00 176.35 173.49 1k8b s GLU 81 N -0.58 2.23 -0.06 1.98 2.02 -0.93 -5.01 118.70 118.36 1k8b s GLU 81 Ca 0.08 -0.91 -0.22 0.00 0.02 0.00 0.00 54.97 53.94 1k8b s GLU 81 Cb -0.12 -2.08 -0.26 0.00 0.10 0.00 0.00 34.13 31.77 1k8b s GLU 81 CO 0.02 0.52 1.32 0.41 0.02 0.00 0.00 175.26 177.54 1k8b n GLY 82 N 2.55 0.31 0.00 -1.39 0.00 -1.26 -1.86 105.19 103.54 1k8b n GLY 82 Ca -0.16 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.26 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 4.65 0.62 3.04 -0.02 0.00 -1.26 -5.12 105.19 107.09 1k8b n GLY 83 Ca 0.33 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.20 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 0.53 -0.14 1.61 3.00 -0.78 -2.63 118.95 120.54 1k8b s ARG 84 Ca 0.00 -0.57 -0.05 0.00 0.00 0.00 0.00 55.73 55.11 1k8b s ARG 84 Cb 0.00 -0.39 -0.04 0.00 0.00 0.00 0.00 34.95 34.53 1k8b s ARG 84 CO 0.00 0.09 0.04 -0.48 0.00 0.00 0.00 175.30 174.94 1k8b s LEU 85 N -1.07 3.74 -0.04 2.53 0.05 -0.76 -2.18 118.68 120.95 1k8b s LEU 85 Ca -0.05 0.13 0.06 0.00 0.05 0.00 0.00 54.13 54.32 1k8b s LEU 85 Cb -0.07 -1.90 -0.02 0.00 -2.05 0.00 0.00 46.19 42.15 1k8b s LEU 85 CO 0.00 0.28 -0.22 -0.63 -0.55 0.00 0.00 176.35 175.23 1k8b s ILE 86 N -0.26 2.35 -0.06 1.48 1.09 -0.76 -1.35 121.20 123.68 1k8b s ILE 86 Ca 0.07 -0.98 0.05 0.00 -1.10 0.00 0.00 60.65 58.69 1k8b s ILE 86 Cb -0.12 -1.86 -0.01 0.00 -1.06 0.00 0.00 42.46 39.41 1k8b s ILE 86 CO 0.02 0.58 -0.22 -1.48 -0.10 0.00 0.00 174.94 173.73 1k8b s LEU 87 N -0.49 2.23 -0.32 2.97 -0.00 -0.75 -2.50 118.68 119.82 1k8b s LEU 87 Ca 0.06 -0.44 0.02 0.00 -0.00 0.00 0.00 54.13 53.77 1k8b s LEU 87 Cb -0.11 -1.42 0.08 0.00 -0.00 0.00 0.00 46.19 44.74 1k8b s LEU 87 CO 0.01 0.27 0.03 -1.10 -0.00 0.00 0.00 176.35 175.55 1k8b s GLN 88 N -0.28 1.91 -0.08 1.48 -0.21 -0.61 -2.11 119.66 119.76 1k8b s GLN 88 Ca 0.00 -1.64 0.18 0.00 0.02 0.00 0.00 55.36 53.93 1k8b s GLN 88 Cb -0.13 -3.18 0.65 0.00 1.00 0.00 0.00 33.01 31.35 1k8b s GLN 88 CO 0.03 -0.82 1.55 -2.13 -2.12 0.00 0.00 175.29 171.80 1k8b n ARG 89 N 4.41 3.28 -0.62 2.91 0.63 -1.25 -2.42 116.66 123.61 1k8b n ARG 89 Ca -0.04 -2.59 0.00 0.00 -0.92 0.00 0.00 57.85 54.29 1k8b n ARG 89 Cb 0.42 -1.77 0.00 0.00 0.45 0.00 0.00 32.46 31.56 1k8b n ARG 89 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99