#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 3.39 -0.04 -3.67 1.01 -1.26 -1.84 121.20 118.78 1k8b s ILE 40 Ca 0.00 -0.56 0.02 0.00 0.00 0.00 0.00 60.65 60.11 1k8b s ILE 40 Cb 0.00 -2.42 0.01 0.00 0.01 0.00 0.00 42.46 40.06 1k8b s ILE 40 CO 0.00 0.54 -0.10 -0.76 0.00 0.00 0.00 174.94 174.62 1k8b s LEU 41 N -0.02 1.71 -0.10 2.97 1.02 -0.97 -5.02 118.68 118.26 1k8b s LEU 41 Ca -0.02 -0.23 0.03 0.00 0.02 0.00 0.00 54.13 53.93 1k8b s LEU 41 Cb -0.14 -0.66 -0.01 0.00 0.02 0.00 0.00 46.19 45.40 1k8b s LEU 41 CO 0.03 0.05 -0.20 0.27 0.02 0.00 0.00 176.35 176.53 1k8b s ILE 42 N 0.39 2.47 -0.02 -0.59 -0.00 -1.26 -1.95 121.20 120.24 1k8b s ILE 42 Ca -0.07 -0.88 0.02 0.00 -0.00 0.00 0.00 60.65 59.72 1k8b s ILE 42 Cb -0.12 -1.98 0.00 0.00 -0.00 0.00 0.00 42.46 40.37 1k8b s ILE 42 CO 0.02 0.55 -0.07 -1.61 -0.00 0.00 0.00 174.94 173.83 1k8b s GLU 43 N 0.23 0.70 1.69 0.37 8.01 -1.01 -5.01 118.70 123.68 1k8b s GLU 43 Ca -0.13 -0.23 0.00 0.00 0.01 0.00 0.00 54.97 54.62 1k8b s GLU 43 Cb -0.16 -0.68 0.00 0.00 -4.31 0.00 0.00 34.13 28.98 1k8b s GLU 43 CO 0.07 0.09 0.00 0.41 0.01 0.00 0.00 175.26 175.84 1k8b n GLY 44 N 3.23 0.29 0.00 -1.39 0.00 -1.26 -1.70 105.19 104.36 1k8b n GLY 44 Ca -0.17 0.55 0.00 0.00 0.00 0.00 0.00 46.02 46.40 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 3.20 0.00 -4.44 1.61 6.94 -1.26 -5.09 115.26 116.23 1k8b n ASN 45 Ca 0.00 -0.48 -0.33 0.00 -0.02 0.00 0.00 54.58 53.76 1k8b n ASN 45 Cb 0.00 0.00 -0.14 0.00 -2.36 0.00 0.00 39.78 37.28 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 -0.03 -3.83 1.04 -0.69 -3.60 118.95 114.47 1k8b s ARG 46 Ca 0.00 -0.72 0.07 0.00 -1.04 0.00 0.00 55.73 54.04 1k8b s ARG 46 Cb 0.00 -2.39 -0.01 0.00 -2.04 0.00 0.00 34.95 30.50 1k8b s ARG 46 CO 0.00 0.54 -0.24 0.99 -0.04 0.00 0.00 175.30 176.55 1k8b s THR 47 N -0.51 1.93 -0.09 4.99 2.01 -0.82 -2.41 115.64 120.73 1k8b s THR 47 Ca 0.07 -1.02 -0.01 0.00 0.31 0.00 0.00 61.69 61.04 1k8b s THR 47 Cb -0.12 -1.61 -0.03 0.00 0.01 0.00 0.00 72.50 70.75 1k8b s THR 47 CO 0.01 0.54 -0.05 0.27 -0.69 0.00 0.00 174.62 174.71 1k8b s ILE 48 N -0.38 3.84 -0.07 1.82 -4.36 -0.82 -2.03 121.20 119.19 1k8b s ILE 48 Ca 0.04 -0.41 0.03 0.00 -0.26 0.00 0.00 60.65 60.05 1k8b s ILE 48 Cb -0.11 -2.60 0.01 0.00 1.25 0.00 0.00 42.46 41.00 1k8b s ILE 48 CO 0.01 0.57 -0.17 -0.63 0.24 0.00 0.00 174.94 174.96 1k8b s ILE 49 N -0.52 1.50 -1.43 8.37 1.09 -0.41 -2.29 121.20 127.52 1k8b s ILE 49 Ca 0.08 -0.71 -0.09 0.00 -1.10 0.00 0.00 60.65 58.84 1k8b s ILE 49 Cb -0.12 -1.33 -0.06 0.00 -1.06 0.00 0.00 42.46 39.90 1k8b s ILE 49 CO 0.02 0.44 2.89 -1.14 -0.10 0.00 0.00 174.94 177.05 1k8b n ARG 50 N 3.59 3.75 -0.30 2.79 0.63 -0.77 -2.01 116.66 124.34 1k8b n ARG 50 Ca -0.21 -2.38 0.02 0.00 -0.92 0.00 0.00 57.85 54.36 1k8b n ARG 50 Cb 0.52 -2.70 0.13 0.00 0.45 0.00 0.00 32.46 30.86 1k8b n ARG 50 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 1k8b n ASN 51 N 3.07 2.57 -0.31 6.15 2.85 -1.26 -4.56 115.26 123.77 1k8b n ASN 51 Ca 0.73 -2.31 0.17 0.00 -0.11 0.00 0.00 54.58 53.05 1k8b n ASN 51 Cb 0.29 -0.56 0.35 0.00 1.24 0.00 0.00 39.78 41.10 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 1.22 0.43 0.00 1.20 3.57 -1.74 0.14 116.94 121.76 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 1.02 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.72 1k8b h PHE 52 CO 0.36 -0.27 0.00 -2.13 -2.23 0.00 0.00 178.31 174.04 1k8b n ARG 53 N -5.24 0.00 -0.19 1.11 0.63 -1.26 0.81 116.66 112.51 1k8b n ARG 53 Ca 0.25 0.45 0.00 0.00 -0.92 0.00 0.00 57.85 57.63 1k8b n ARG 53 Cb 0.81 -1.22 0.09 0.00 0.45 0.00 0.00 32.46 32.59 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 0.13 -0.66 -0.14 4.57 -1.92 -0.09 114.58 116.47 1k8b h GLU 54 Ca 0.00 -0.01 0.14 0.00 -1.18 0.00 0.00 59.36 58.31 1k8b h GLU 54 Cb 0.00 -0.03 -0.11 0.00 -0.16 0.00 0.00 28.75 28.45 1k8b h GLU 54 CO 0.00 0.08 0.02 1.25 -1.18 0.00 0.00 179.01 179.19 1k8b h LEU 55 N 0.13 -0.25 -0.30 1.64 5.85 -0.51 -0.75 115.31 121.12 1k8b h LEU 55 Ca 0.31 0.16 0.07 0.00 0.84 0.00 0.00 57.88 59.25 1k8b h LEU 55 Cb 0.49 0.27 -0.08 0.00 0.37 0.00 0.00 40.66 41.71 1k8b h LEU 55 CO -0.50 -0.12 -0.36 0.00 -0.34 0.00 0.00 178.44 177.13 1k8b h ALA 56 N 1.59 -0.32 -0.53 1.25 0.00 0.24 0.89 119.26 122.38 1k8b h ALA 56 Ca 0.35 0.06 0.11 0.00 0.00 0.00 0.00 54.91 55.43 1k8b h ALA 56 Cb 0.58 0.73 -0.09 0.00 0.00 0.00 0.00 17.79 19.01 1k8b h ALA 56 CO -0.55 -0.79 -0.01 -0.22 0.00 0.00 0.00 179.25 177.67 1k8b h LYS 57 N -0.33 0.10 -0.55 0.00 1.63 -1.15 0.59 116.57 116.86 1k8b h LYS 57 Ca 0.14 -0.01 0.11 0.00 -0.85 0.00 0.00 60.65 60.04 1k8b h LYS 57 Cb 0.56 -0.02 -0.09 0.00 -0.60 0.00 0.00 32.23 32.07 1k8b h LYS 57 CO -0.49 0.07 -0.01 0.00 -3.45 0.00 0.00 179.45 175.58 1k8b h ALA 58 N 1.48 0.52 -0.52 5.00 0.00 0.13 -2.02 119.26 123.86 1k8b h ALA 58 Ca 0.27 0.17 0.10 0.00 0.00 0.00 0.00 54.91 55.45 1k8b h ALA 58 Cb 0.42 0.29 -0.10 0.00 0.00 0.00 0.00 17.79 18.40 1k8b h ALA 58 CO -0.46 -0.39 -0.12 -0.39 0.00 0.00 0.00 179.25 177.89 1k8b h VAL 59 N 0.11 0.48 -1.05 0.00 -1.51 0.29 1.47 116.25 116.04 1k8b h VAL 59 Ca 0.28 -0.00 0.28 0.00 -1.23 0.00 0.00 66.70 66.03 1k8b h VAL 59 Cb 0.44 0.48 -0.08 0.00 -2.13 0.00 0.00 31.29 29.99 1k8b h VAL 59 CO -0.47 0.00 0.69 0.78 -1.23 0.00 0.00 177.57 177.34 1k8b h ASN 60 N 0.00 0.34 -0.47 4.19 2.35 -1.18 0.93 115.58 121.75 1k8b h ASN 60 Ca 0.25 0.06 -0.20 0.00 -0.55 0.00 0.00 56.30 55.87 1k8b h ASN 60 Cb 0.38 0.01 -0.12 0.00 0.05 0.00 0.00 38.32 38.64 1k8b h ASN 60 CO -0.53 0.07 0.09 0.54 -1.65 0.00 0.00 177.43 175.94 1k8b n ARG 61 N -4.52 2.32 -1.10 0.81 1.74 0.42 -4.95 116.66 111.38 1k8b n ARG 61 Ca 0.25 -3.08 0.00 0.00 -0.77 0.00 0.00 57.85 54.25 1k8b n ARG 61 Cb 0.94 -1.92 0.00 0.00 -1.02 0.00 0.00 32.46 30.46 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 -0.90 -1.46 -0.25 0.55 8.00 0.32 -4.85 116.55 117.96 1k8b n ASP 62 Ca 0.36 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.85 1k8b n ASP 62 Cb 1.14 -0.73 0.11 0.00 -0.02 0.00 0.00 41.12 41.62 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 0.73 -0.40 -1.24 -0.00 -1.12 -0.39 114.58 112.16 1k8b h GLU 63 Ca 0.00 -0.04 0.08 0.00 -0.00 0.00 0.00 59.36 59.40 1k8b h GLU 63 Cb 0.10 -0.16 -0.08 0.00 -0.00 0.00 0.00 28.75 28.61 1k8b h GLU 63 CO 0.00 0.48 -0.10 1.05 -0.00 0.00 0.00 179.01 180.44 1k8b h GLU 64 N 0.75 0.00 -0.43 1.06 4.11 -1.88 -0.97 114.58 117.22 1k8b h GLU 64 Ca 0.32 -0.00 0.08 0.00 0.07 0.00 0.00 59.36 59.82 1k8b h GLU 64 Cb 0.19 -0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.37 1k8b h GLU 64 CO -0.18 0.00 0.03 0.35 0.07 0.00 0.00 179.01 179.28 1k8b h PHE 65 N 0.00 0.03 0.37 2.06 3.04 -1.44 -3.01 116.94 117.99 1k8b h PHE 65 Ca 0.19 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 62.16 1k8b h PHE 65 Cb 0.29 0.05 -0.02 0.00 2.56 0.00 0.00 35.95 38.83 1k8b h PHE 65 CO -0.35 -0.05 -0.38 0.35 -2.02 0.00 0.00 178.31 175.85 1k8b h PHE 66 N 0.15 -1.06 -0.97 0.41 3.57 -0.25 -2.19 116.94 116.60 1k8b h PHE 66 Ca 0.21 0.01 0.27 0.00 3.53 0.00 0.00 57.97 61.99 1k8b h PHE 66 Cb 0.29 0.41 -0.18 0.00 2.79 0.00 0.00 35.95 39.27 1k8b h PHE 66 CO -0.25 -0.50 0.05 0.00 -2.23 0.00 0.00 178.31 175.37 1k8b h ALA 67 N -1.11 1.17 -0.81 2.41 0.00 -1.43 3.21 119.26 122.71 1k8b h ALA 67 Ca -0.05 0.33 0.17 0.00 0.00 0.00 0.00 54.91 55.37 1k8b h ALA 67 Cb 0.65 0.57 -0.15 0.00 0.00 0.00 0.00 17.79 18.86 1k8b h ALA 67 CO -0.05 -0.57 -0.12 -0.22 0.00 0.00 0.00 179.25 178.29 1k8b h LYS 68 N 0.02 0.03 -0.64 0.00 3.64 -1.28 0.13 116.57 118.47 1k8b h LYS 68 Ca 0.59 -0.00 0.11 0.00 -1.27 0.00 0.00 60.65 60.08 1k8b h LYS 68 Cb 1.22 -0.01 -0.12 0.00 -0.41 0.00 0.00 32.23 32.91 1k8b h LYS 68 CO -0.89 0.02 -0.35 1.88 -2.27 0.00 0.00 179.45 177.83 1k8b h TYR 69 N 0.03 -0.98 -0.83 1.91 0.05 0.63 0.45 116.97 118.23 1k8b h TYR 69 Ca 0.41 0.08 0.19 0.00 0.05 0.00 0.00 58.73 59.47 1k8b h TYR 69 Cb 0.69 0.52 -0.15 0.00 1.01 0.00 0.00 36.73 38.80 1k8b h TYR 69 CO -0.56 -0.39 -0.03 1.25 -1.05 0.00 0.00 178.16 177.37 1k8b h LEU 70 N -0.15 -0.47 -0.11 3.88 6.46 -0.51 1.15 115.31 125.57 1k8b h LEU 70 Ca 0.24 0.23 -0.00 0.00 -0.12 0.00 0.00 57.88 58.22 1k8b h LEU 70 Cb 0.56 0.41 -0.01 0.00 -0.73 0.00 0.00 40.66 40.90 1k8b h LEU 70 CO -0.72 -0.24 0.05 0.25 -0.62 0.00 0.00 178.44 177.16 1k8b h LEU 71 N 0.06 0.15 -0.59 2.25 5.85 -0.11 -1.93 115.31 120.98 1k8b h LEU 71 Ca 0.45 -0.13 0.12 0.00 0.84 0.00 0.00 57.88 59.16 1k8b h LEU 71 Cb 0.82 -0.04 -0.10 0.00 0.37 0.00 0.00 40.66 41.71 1k8b h LEU 71 CO -0.77 0.24 -0.00 0.50 -0.34 0.00 0.00 178.44 178.06 1k8b h LYS 72 N 0.05 0.11 -0.25 1.25 3.11 0.48 0.92 116.57 122.24 1k8b h LYS 72 Ca 0.04 -0.01 0.05 0.00 -2.81 0.00 0.00 60.65 57.92 1k8b h LYS 72 Cb 0.13 -0.02 -0.05 0.00 -1.00 0.00 0.00 32.23 31.29 1k8b h LYS 72 CO -0.00 0.07 -0.05 1.49 -2.81 0.00 0.00 179.45 178.15 1k8b h GLU 73 N 0.11 0.01 0.00 1.90 4.81 0.13 -3.31 114.58 118.23 1k8b h GLU 73 Ca 0.31 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.54 1k8b h GLU 73 Cb 0.49 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.86 1k8b h GLU 73 CO -0.51 0.01 0.00 2.41 -0.73 0.00 0.00 179.01 180.19 1k8b n THR 74 N -5.21 0.00 0.00 0.32 -1.04 -0.35 -5.02 114.28 102.98 1k8b n THR 74 Ca -0.01 0.77 0.00 0.00 -2.04 0.00 0.00 64.05 62.77 1k8b n THR 74 Cb 0.14 -1.76 0.00 0.00 -1.82 0.00 0.00 70.33 66.90 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 1.16 1.83 0.00 3.41 0.00 0.31 -5.07 105.19 106.83 1k8b n GLY 75 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.77 1k8b n GLY 75 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1k8b n SER 76 N 0.00 0.00 -3.84 1.61 2.88 -1.26 -4.96 113.62 108.05 1k8b n SER 76 Ca 0.00 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.42 1k8b n SER 76 Cb 0.00 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.36 1k8b n SER 76 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1k8b s ALA 77 N -2.15 -0.43 0.12 -1.46 0.00 -1.02 -5.04 121.76 111.78 1k8b s ALA 77 Ca 0.00 0.01 0.05 0.00 0.00 0.00 0.00 51.96 52.03 1k8b s ALA 77 Cb 0.00 0.07 -0.04 0.00 0.00 0.00 0.00 23.12 23.15 1k8b s ALA 77 CO 0.00 -0.21 -0.12 0.20 0.00 0.00 0.00 175.76 175.63 1k8b s GLY 78 N -1.25 1.03 -0.02 0.00 0.00 -1.26 -1.49 107.32 104.32 1k8b s GLY 78 Ca -0.13 -1.32 0.03 0.00 0.00 0.00 0.00 44.72 43.30 1k8b s GLY 78 CO 0.02 -1.39 -0.12 -1.31 0.00 0.00 0.00 173.10 170.30 1k8b s ASN 79 N -2.63 1.48 -0.04 1.64 0.02 -1.05 -4.92 114.94 109.44 1k8b s ASN 79 Ca 0.10 -0.23 0.07 0.00 -1.02 0.00 0.00 52.86 51.77 1k8b s ASN 79 Cb -0.03 -0.28 -0.02 0.00 0.02 0.00 0.00 41.25 40.95 1k8b s ASN 79 CO 0.02 0.12 -0.24 -1.48 0.02 0.00 0.00 177.10 175.54 1k8b s LEU 80 N -0.08 2.13 -0.01 0.60 0.05 -1.26 -1.68 118.68 118.41 1k8b s LEU 80 Ca 0.01 -0.47 0.04 0.00 0.05 0.00 0.00 54.13 53.77 1k8b s LEU 80 Cb -0.07 -1.38 -0.01 0.00 -2.05 0.00 0.00 46.19 42.68 1k8b s LEU 80 CO 0.00 0.28 -0.15 -0.70 -0.55 0.00 0.00 176.35 175.24 1k8b s GLU 81 N -0.39 1.23 0.00 1.48 2.56 -0.90 -4.99 118.70 117.68 1k8b s GLU 81 Ca 0.03 -0.52 -0.22 0.00 0.00 0.00 0.00 54.97 54.25 1k8b s GLU 81 Cb -0.12 -1.17 -0.28 0.00 2.00 0.00 0.00 34.13 34.56 1k8b s GLU 81 CO 0.01 0.30 1.34 0.41 -0.56 0.00 0.00 175.26 176.77 1k8b n GLY 82 N 2.77 0.59 0.00 -1.50 0.00 -1.26 -1.98 105.19 103.81 1k8b n GLY 82 Ca -0.15 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.20 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 4.63 0.52 2.97 -0.02 0.00 -1.26 -5.12 105.19 106.92 1k8b n GLY 83 Ca 0.34 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.23 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 0.36 -0.12 1.61 0.52 -0.84 -2.54 118.95 117.94 1k8b s ARG 84 Ca 0.00 -0.35 -0.04 0.00 -0.52 0.00 0.00 55.73 54.82 1k8b s ARG 84 Cb 0.00 -0.24 -0.03 0.00 0.52 0.00 0.00 34.95 35.20 1k8b s ARG 84 CO 0.00 0.05 0.02 -1.17 0.02 0.00 0.00 175.30 174.23 1k8b s LEU 85 N -0.65 3.65 -0.04 2.53 1.98 -0.85 -2.13 118.68 123.18 1k8b s LEU 85 Ca -0.04 0.11 0.07 0.00 -2.89 0.00 0.00 54.13 51.39 1k8b s LEU 85 Cb -0.05 -1.87 -0.02 0.00 0.66 0.00 0.00 46.19 44.92 1k8b s LEU 85 CO -0.00 0.30 -0.25 -0.63 -1.89 0.00 0.00 176.35 173.88 1k8b s ILE 86 N -0.42 2.07 -0.08 6.68 1.09 -0.68 -1.29 121.20 128.57 1k8b s ILE 86 Ca 0.08 -1.09 0.02 0.00 -1.10 0.00 0.00 60.65 58.56 1k8b s ILE 86 Cb -0.12 -1.72 -0.02 0.00 -1.06 0.00 0.00 42.46 39.53 1k8b s ILE 86 CO 0.02 0.58 -0.12 -1.48 -0.10 0.00 0.00 174.94 173.83 1k8b s LEU 87 N -0.41 2.83 -0.30 2.97 0.05 -0.86 -2.54 118.68 120.41 1k8b s LEU 87 Ca 0.04 -0.21 0.02 0.00 0.05 0.00 0.00 54.13 54.03 1k8b s LEU 87 Cb -0.12 -1.61 0.07 0.00 -2.05 0.00 0.00 46.19 42.49 1k8b s LEU 87 CO 0.01 0.28 -0.01 -1.58 -0.55 0.00 0.00 176.35 174.50 1k8b s GLN 88 N -0.34 2.06 0.00 1.48 0.74 -0.56 -1.95 119.66 121.08 1k8b s GLN 88 Ca 0.04 -1.52 0.00 0.00 0.05 0.00 0.00 55.36 53.93 1k8b s GLN 88 Cb -0.13 -3.10 0.00 0.00 1.10 0.00 0.00 33.01 30.88 1k8b s GLN 88 CO 0.02 -0.73 0.00 -2.13 -0.55 0.00 0.00 175.29 171.91 1k8b n ARG 89 N 4.44 0.00 0.00 1.67 0.63 -1.24 -2.44 116.66 119.73 1k8b n ARG 89 Ca -0.08 0.00 0.16 0.00 -0.92 0.00 0.00 57.85 57.01 1k8b n ARG 89 Cb 0.42 -1.71 0.89 0.00 0.45 0.00 0.00 32.46 32.51 1k8b n ARG 89 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99