#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 3.59 -0.03 6.31 1.01 -1.26 -2.32 121.20 128.49 1k8b s ILE 40 Ca 0.00 -0.48 0.02 0.00 0.00 0.00 0.00 60.65 60.19 1k8b s ILE 40 Cb 0.00 -2.52 0.01 0.00 0.01 0.00 0.00 42.46 39.96 1k8b s ILE 40 CO 0.00 0.53 -0.08 -0.76 0.00 0.00 0.00 174.94 174.64 1k8b s LEU 41 N -0.01 1.66 -0.09 2.97 1.43 -1.00 -5.01 118.68 118.63 1k8b s LEU 41 Ca -0.01 -0.17 0.04 0.00 -1.03 0.00 0.00 54.13 52.96 1k8b s LEU 41 Cb -0.14 -0.53 -0.01 0.00 0.03 0.00 0.00 46.19 45.55 1k8b s LEU 41 CO 0.03 0.03 -0.23 -0.51 0.23 0.00 0.00 176.35 175.90 1k8b s ILE 42 N 0.42 2.22 -0.02 -0.59 2.07 -1.26 -1.89 121.20 122.15 1k8b s ILE 42 Ca -0.07 -0.98 0.02 0.00 -1.41 0.00 0.00 60.65 58.22 1k8b s ILE 42 Cb -0.11 -1.85 0.00 0.00 0.13 0.00 0.00 42.46 40.64 1k8b s ILE 42 CO 0.01 0.56 -0.08 -1.61 -1.91 0.00 0.00 174.94 171.90 1k8b s GLU 43 N 0.19 0.81 2.61 3.50 2.02 -0.99 -5.00 118.70 121.83 1k8b s GLU 43 Ca -0.13 -0.28 0.00 0.00 0.02 0.00 0.00 54.97 54.58 1k8b s GLU 43 Cb -0.17 -0.77 0.00 0.00 0.10 0.00 0.00 34.13 33.30 1k8b s GLU 43 CO 0.07 0.13 0.00 0.41 0.02 0.00 0.00 175.26 175.89 1k8b n GLY 44 N 3.16 0.22 0.00 -1.39 0.00 -1.26 -1.99 105.19 103.93 1k8b n GLY 44 Ca -0.17 0.69 0.00 0.00 0.00 0.00 0.00 46.02 46.55 1k8b n GLY 44 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1k8b n ASN 45 N 4.54 0.00 -4.18 1.61 3.02 -1.26 -4.99 115.26 114.00 1k8b n ASN 45 Ca 0.00 -1.00 -0.27 0.00 -0.03 0.00 0.00 54.58 53.28 1k8b n ASN 45 Cb 0.00 0.00 -0.16 0.00 -0.61 0.00 0.00 39.78 39.01 1k8b n ASN 45 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1k8b s ARG 46 N 0.00 1.73 -0.04 3.52 3.03 -0.84 -3.38 118.95 122.97 1k8b s ARG 46 Ca 0.00 -0.68 0.06 0.00 2.03 0.00 0.00 55.73 57.14 1k8b s ARG 46 Cb 0.00 -1.58 -0.01 0.00 -1.03 0.00 0.00 34.95 32.32 1k8b s ARG 46 CO 0.00 0.35 -0.23 0.99 -1.13 0.00 0.00 175.30 175.28 1k8b s THR 47 N -0.25 1.85 -0.06 4.99 2.01 -0.92 -2.35 115.64 120.90 1k8b s THR 47 Ca 0.02 -0.97 0.04 0.00 0.31 0.00 0.00 61.69 61.09 1k8b s THR 47 Cb -0.09 -1.55 -0.02 0.00 0.01 0.00 0.00 72.50 70.84 1k8b s THR 47 CO 0.01 0.52 -0.16 0.27 -0.69 0.00 0.00 174.62 174.56 1k8b s ILE 48 N -0.30 2.86 -0.08 1.82 -4.36 -0.79 -1.83 121.20 118.52 1k8b s ILE 48 Ca 0.02 -0.78 0.02 0.00 -0.26 0.00 0.00 60.65 59.65 1k8b s ILE 48 Cb -0.11 -2.12 0.01 0.00 1.25 0.00 0.00 42.46 41.49 1k8b s ILE 48 CO 0.01 0.58 -0.12 -0.51 0.24 0.00 0.00 174.94 175.14 1k8b s ILE 49 N -0.45 1.17 -1.00 8.37 2.07 -0.50 -2.36 121.20 128.51 1k8b s ILE 49 Ca 0.05 -0.48 -0.12 0.00 -1.41 0.00 0.00 60.65 58.69 1k8b s ILE 49 Cb -0.12 -1.09 -0.08 0.00 0.13 0.00 0.00 42.46 41.30 1k8b s ILE 49 CO 0.02 0.37 2.15 -1.14 -1.91 0.00 0.00 174.94 174.43 1k8b n ARG 50 N 4.01 2.14 -0.47 3.50 3.00 -0.98 -2.11 116.66 125.75 1k8b n ARG 50 Ca -0.21 -1.78 -0.04 0.00 -0.00 0.00 0.00 57.85 55.82 1k8b n ARG 50 Cb 0.51 -2.73 0.12 0.00 0.00 0.00 0.00 32.46 30.37 1k8b n ARG 50 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 1k8b n ASN 51 N 5.41 3.22 -0.31 6.15 5.15 -1.26 -4.60 115.26 129.01 1k8b n ASN 51 Ca 0.51 -2.57 0.15 0.00 -0.60 0.00 0.00 54.58 52.06 1k8b n ASN 51 Cb 0.26 -0.62 0.31 0.00 -0.53 0.00 0.00 39.78 39.20 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 1.04 0.28 0.00 1.20 3.57 -1.74 0.35 116.94 121.63 1k8b h PHE 52 Ca 0.15 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.71 1k8b h PHE 52 Cb 1.51 0.02 0.00 0.00 2.79 0.00 0.00 35.95 40.28 1k8b h PHE 52 CO 0.60 -0.29 0.00 2.89 -2.23 0.00 0.00 178.31 179.28 1k8b n ARG 53 N -5.30 0.00 -0.22 1.11 1.85 -1.26 0.80 116.66 113.64 1k8b n ARG 53 Ca 0.23 0.71 0.03 0.00 -1.00 0.00 0.00 57.85 57.82 1k8b n ARG 53 Cb 0.74 -1.32 0.14 0.00 -1.05 0.00 0.00 32.46 30.97 1k8b n ARG 53 CO 0.00 0.00 0.00 1.49 -0.01 0.00 0.00 177.63 179.11 1k8b h GLU 54 N 0.00 0.21 -0.64 2.89 4.81 -1.89 -0.98 114.58 118.98 1k8b h GLU 54 Ca 0.00 -0.01 0.13 0.00 -0.13 0.00 0.00 59.36 59.35 1k8b h GLU 54 Cb 0.00 -0.05 -0.12 0.00 0.63 0.00 0.00 28.75 29.22 1k8b h GLU 54 CO 0.00 0.14 -0.07 1.25 -0.73 0.00 0.00 179.01 179.60 1k8b h LEU 55 N 0.22 -0.43 0.19 1.64 7.12 0.37 0.31 115.31 124.73 1k8b h LEU 55 Ca 0.37 0.18 0.01 0.00 0.13 0.00 0.00 57.88 58.56 1k8b h LEU 55 Cb 0.60 0.34 -0.04 0.00 -0.53 0.00 0.00 40.66 41.03 1k8b h LEU 55 CO -0.49 -0.17 -0.37 0.00 -0.13 0.00 0.00 178.44 177.28 1k8b h ALA 56 N 1.61 -0.68 -0.44 1.25 0.00 0.18 0.63 119.26 121.81 1k8b h ALA 56 Ca 0.33 -0.08 0.08 0.00 0.00 0.00 0.00 54.91 55.24 1k8b h ALA 56 Cb 0.53 0.59 -0.07 0.00 0.00 0.00 0.00 17.79 18.83 1k8b h ALA 56 CO -0.60 -0.94 -0.01 0.87 0.00 0.00 0.00 179.25 178.57 1k8b h LYS 57 N -0.64 0.09 -0.50 0.00 1.79 -1.22 -0.90 116.57 115.19 1k8b h LYS 57 Ca 0.01 -0.01 0.10 0.00 -2.18 0.00 0.00 60.65 58.58 1k8b h LYS 57 Cb 0.64 -0.02 -0.09 0.00 -1.58 0.00 0.00 32.23 31.18 1k8b h LYS 57 CO -0.17 0.06 -0.09 0.00 -1.08 0.00 0.00 179.45 178.17 1k8b h ALA 58 N 1.40 0.38 -0.49 3.86 0.00 0.77 -1.98 119.26 123.20 1k8b h ALA 58 Ca 0.22 0.18 0.10 0.00 0.00 0.00 0.00 54.91 55.41 1k8b h ALA 58 Cb 0.32 0.34 -0.09 0.00 0.00 0.00 0.00 17.79 18.36 1k8b h ALA 58 CO -0.38 -0.43 -0.15 -0.24 0.00 0.00 0.00 179.25 178.06 1k8b h VAL 59 N 0.03 0.47 -1.08 0.00 3.04 0.17 1.30 116.25 120.17 1k8b h VAL 59 Ca 0.25 0.00 0.30 0.00 -1.01 0.00 0.00 66.70 66.23 1k8b h VAL 59 Cb 0.38 0.47 -0.07 0.00 -2.01 0.00 0.00 31.29 30.06 1k8b h VAL 59 CO -0.49 0.00 0.73 0.78 -1.01 0.00 0.00 177.57 177.59 1k8b h ASN 60 N -0.03 0.25 -0.29 3.17 4.21 -1.19 0.63 115.58 122.33 1k8b h ASN 60 Ca 0.23 0.05 -0.16 0.00 1.21 0.00 0.00 56.30 57.64 1k8b h ASN 60 Cb 0.39 0.01 -0.09 0.00 -1.12 0.00 0.00 38.32 37.50 1k8b h ASN 60 CO -0.52 0.04 -0.20 0.54 -1.29 0.00 0.00 177.43 176.01 1k8b n ARG 61 N -4.44 1.83 -1.00 0.81 3.00 0.34 -4.95 116.66 112.24 1k8b n ARG 61 Ca 0.25 -3.26 0.00 0.00 -0.01 0.00 0.00 57.85 54.84 1k8b n ARG 61 Cb 1.03 -1.79 0.00 0.00 0.00 0.00 0.00 32.46 31.70 1k8b n ARG 61 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1k8b n ASP 62 N -1.11 -1.33 -0.26 0.55 8.00 0.36 -4.83 116.55 117.92 1k8b n ASP 62 Ca 0.31 0.00 0.04 0.00 0.71 0.00 0.00 54.79 55.85 1k8b n ASP 62 Cb 0.95 -0.67 0.17 0.00 -0.02 0.00 0.00 41.12 41.56 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 0.54 -0.37 -1.24 4.11 -0.88 0.30 114.58 117.03 1k8b h GLU 63 Ca 0.00 -0.03 0.07 0.00 0.07 0.00 0.00 59.36 59.47 1k8b h GLU 63 Cb 0.21 -0.12 -0.07 0.00 0.50 0.00 0.00 28.75 29.26 1k8b h GLU 63 CO 0.00 0.36 -0.08 1.05 0.07 0.00 0.00 179.01 180.41 1k8b h GLU 64 N 0.55 0.02 -0.51 1.06 4.11 -1.89 -0.93 114.58 116.99 1k8b h GLU 64 Ca 0.40 -0.00 0.10 0.00 0.07 0.00 0.00 59.36 59.93 1k8b h GLU 64 Cb 0.52 -0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.69 1k8b h GLU 64 CO -0.34 0.01 -0.00 0.35 0.07 0.00 0.00 179.01 179.10 1k8b h PHE 65 N 0.02 -0.04 0.35 2.06 3.57 -0.77 -2.97 116.94 119.17 1k8b h PHE 65 Ca 0.18 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.71 1k8b h PHE 65 Cb 0.27 0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.09 1k8b h PHE 65 CO -0.32 -0.12 -0.37 0.35 -2.23 0.00 0.00 178.31 175.61 1k8b h PHE 66 N 0.11 -1.04 -0.98 0.41 3.57 -0.17 -2.09 116.94 116.75 1k8b h PHE 66 Ca 0.26 0.01 0.28 0.00 3.53 0.00 0.00 57.97 62.05 1k8b h PHE 66 Cb 0.39 0.41 -0.18 0.00 2.79 0.00 0.00 35.95 39.36 1k8b h PHE 66 CO -0.32 -0.49 0.09 0.00 -2.23 0.00 0.00 178.31 175.35 1k8b h ALA 67 N -1.11 1.26 -0.83 2.41 0.00 -1.38 3.76 119.26 123.36 1k8b h ALA 67 Ca -0.04 0.33 0.19 0.00 0.00 0.00 0.00 54.91 55.38 1k8b h ALA 67 Cb 0.64 0.55 -0.15 0.00 0.00 0.00 0.00 17.79 18.83 1k8b h ALA 67 CO -0.06 -0.60 -0.09 -0.22 0.00 0.00 0.00 179.25 178.28 1k8b h LYS 68 N 0.02 0.04 -0.77 0.00 3.64 -1.24 0.45 116.57 118.72 1k8b h LYS 68 Ca 0.62 -0.00 0.15 0.00 -1.27 0.00 0.00 60.65 60.14 1k8b h LYS 68 Cb 1.31 -0.01 -0.14 0.00 -0.41 0.00 0.00 32.23 32.98 1k8b h LYS 68 CO -0.89 0.02 -0.22 1.88 -2.27 0.00 0.00 179.45 177.98 1k8b h TYR 69 N 0.04 -0.51 -0.75 1.91 0.05 0.75 1.23 116.97 119.70 1k8b h TYR 69 Ca 0.44 0.07 0.17 0.00 0.05 0.00 0.00 58.73 59.46 1k8b h TYR 69 Cb 0.76 0.34 -0.13 0.00 1.01 0.00 0.00 36.73 38.71 1k8b h TYR 69 CO -0.54 -0.34 -0.01 1.25 -1.05 0.00 0.00 178.16 177.46 1k8b h LEU 70 N -0.02 -0.38 -0.14 3.88 7.12 0.09 0.99 115.31 126.85 1k8b h LEU 70 Ca 0.36 0.20 0.02 0.00 0.13 0.00 0.00 57.88 58.58 1k8b h LEU 70 Cb 0.57 0.35 -0.02 0.00 -0.53 0.00 0.00 40.66 41.03 1k8b h LEU 70 CO -0.80 -0.18 0.03 0.25 -0.13 0.00 0.00 178.44 177.61 1k8b h LEU 71 N 0.09 0.01 -0.65 2.25 6.46 0.16 -1.15 115.31 122.47 1k8b h LEU 71 Ca 0.40 0.02 0.14 0.00 -0.12 0.00 0.00 57.88 58.32 1k8b h LEU 71 Cb 0.70 0.03 -0.11 0.00 -0.73 0.00 0.00 40.66 40.55 1k8b h LEU 71 CO -0.67 0.03 0.02 0.11 -0.62 0.00 0.00 178.44 177.31 1k8b h LYS 72 N 0.09 0.13 0.36 1.25 1.79 0.44 1.05 116.57 121.68 1k8b h LYS 72 Ca 0.06 -0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 58.52 1k8b h LYS 72 Cb 0.06 -0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 30.66 1k8b h LYS 72 CO -0.09 0.09 -0.35 1.49 -1.08 0.00 0.00 179.45 179.51 1k8b h GLU 73 N 0.14 -0.71 0.00 3.15 4.22 0.10 -3.35 114.58 118.12 1k8b h GLU 73 Ca 0.34 0.05 0.00 0.00 0.08 0.00 0.00 59.36 59.83 1k8b h GLU 73 Cb 0.57 0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.98 1k8b h GLU 73 CO -0.54 -0.48 0.00 2.41 -2.18 0.00 0.00 179.01 178.22 1k8b n THR 74 N -5.46 0.00 0.00 0.32 -1.04 -0.52 -5.02 114.28 102.56 1k8b n THR 74 Ca -0.10 0.72 0.00 0.00 -2.04 0.00 0.00 64.05 62.63 1k8b n THR 74 Cb 0.36 -1.67 0.00 0.00 -1.82 0.00 0.00 70.33 67.20 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 1.29 0.90 0.00 3.41 0.00 0.35 -5.07 105.19 106.06 1k8b n GLY 75 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -4.05 1.61 7.64 -1.26 -4.97 113.62 112.59 1k8b n SER 76 Ca 0.00 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.74 1k8b n SER 76 Cb 0.00 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.08 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 -2.12 0.60 0.10 -0.43 0.00 -1.01 -5.07 121.76 113.82 1k8b s ALA 77 Ca 0.00 -0.64 0.05 0.00 0.00 0.00 0.00 51.96 51.37 1k8b s ALA 77 Cb 0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 23.12 23.07 1k8b s ALA 77 CO 0.00 0.04 -0.13 0.20 0.00 0.00 0.00 175.76 175.87 1k8b s GLY 78 N -1.17 0.94 -0.02 0.00 0.00 -1.26 -1.50 107.32 104.30 1k8b s GLY 78 Ca -0.06 -1.14 0.03 0.00 0.00 0.00 0.00 44.72 43.55 1k8b s GLY 78 CO 0.00 -1.19 -0.12 -1.31 0.00 0.00 0.00 173.10 170.48 1k8b s ASN 79 N -2.14 1.45 -0.05 1.64 -0.87 -1.02 -4.94 114.94 109.00 1k8b s ASN 79 Ca 0.03 -0.23 0.05 0.00 -1.57 0.00 0.00 52.86 51.15 1k8b s ASN 79 Cb -0.07 -0.26 -0.02 0.00 -0.02 0.00 0.00 41.25 40.88 1k8b s ASN 79 CO 0.02 0.12 -0.21 -1.48 -2.57 0.00 0.00 177.10 172.98 1k8b s LEU 80 N -0.09 2.31 -0.02 0.60 0.05 -1.26 -1.68 118.68 118.59 1k8b s LEU 80 Ca 0.01 -0.39 0.04 0.00 0.05 0.00 0.00 54.13 53.85 1k8b s LEU 80 Cb -0.07 -1.43 -0.01 0.00 -2.05 0.00 0.00 46.19 42.63 1k8b s LEU 80 CO 0.00 0.29 -0.15 -1.61 -0.55 0.00 0.00 176.35 174.34 1k8b s GLU 81 N -0.44 1.26 -0.13 1.48 0.41 -0.92 -5.00 118.70 115.37 1k8b s GLU 81 Ca 0.05 -0.53 -0.24 0.00 -0.41 0.00 0.00 54.97 53.83 1k8b s GLU 81 Cb -0.12 -1.20 -0.29 0.00 -1.78 0.00 0.00 34.13 30.74 1k8b s GLU 81 CO 0.01 0.30 1.45 0.41 -0.49 0.00 0.00 175.26 176.94 1k8b n GLY 82 N 2.79 0.30 0.00 -1.39 0.00 -1.26 -1.91 105.19 103.72 1k8b n GLY 82 Ca -0.15 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.25 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 4.86 0.64 2.97 -0.02 0.00 -1.26 -5.10 105.19 107.28 1k8b n GLY 83 Ca 0.37 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.26 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 0.32 -0.12 1.61 1.70 -0.80 -2.59 118.95 119.07 1k8b s ARG 84 Ca 0.00 -0.38 -0.04 0.00 -0.47 0.00 0.00 55.73 54.84 1k8b s ARG 84 Cb 0.00 -0.15 -0.03 0.00 -0.57 0.00 0.00 34.95 34.19 1k8b s ARG 84 CO 0.00 0.03 0.03 -1.17 -1.08 0.00 0.00 175.30 173.10 1k8b s LEU 85 N -0.78 3.69 -0.03 -1.89 2.96 -0.90 -2.16 118.68 119.57 1k8b s LEU 85 Ca -0.06 0.14 0.06 0.00 -0.22 0.00 0.00 54.13 54.05 1k8b s LEU 85 Cb -0.05 -1.87 -0.01 0.00 0.50 0.00 0.00 46.19 44.75 1k8b s LEU 85 CO -0.00 0.32 -0.21 -0.63 -1.32 0.00 0.00 176.35 174.51 1k8b s ILE 86 N -0.53 1.68 -0.05 6.68 1.01 -0.68 -1.40 121.20 127.91 1k8b s ILE 86 Ca 0.10 -0.89 0.07 0.00 0.00 0.00 0.00 60.65 59.93 1k8b s ILE 86 Cb -0.12 -1.41 -0.01 0.00 0.01 0.00 0.00 42.46 40.92 1k8b s ILE 86 CO 0.02 0.48 -0.25 -0.22 0.00 0.00 0.00 174.94 174.96 1k8b s LEU 87 N -0.29 2.06 -0.36 2.97 2.96 -0.76 -2.43 118.68 122.84 1k8b s LEU 87 Ca 0.03 -0.50 -0.01 0.00 -0.22 0.00 0.00 54.13 53.43 1k8b s LEU 87 Cb -0.10 -1.36 0.09 0.00 0.50 0.00 0.00 46.19 45.31 1k8b s LEU 87 CO 0.01 0.27 0.10 -1.10 -1.32 0.00 0.00 176.35 174.31 1k8b s GLN 88 N -0.29 2.04 0.09 1.98 -1.52 -0.56 -2.17 119.66 119.23 1k8b s GLN 88 Ca 0.00 -1.64 0.12 0.00 -1.95 0.00 0.00 55.36 51.89 1k8b s GLN 88 Cb -0.13 -3.36 -0.15 0.00 -0.22 0.00 0.00 33.01 29.14 1k8b s GLN 88 CO 0.02 -0.89 1.04 -0.09 -0.25 0.00 0.00 175.29 175.13 1k8b h ARG 89 N 7.94 0.00 -0.02 2.91 2.43 -1.80 -2.69 114.38 123.15 1k8b h ARG 89 Ca -0.14 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.03 1k8b h ARG 89 Cb 1.05 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.60 1k8b h ARG 89 CO 0.60 0.63 0.00 0.54 -1.51 0.00 0.00 179.97 180.24