#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k9b s PRO 7 N 0.00 4.12 0.44 1.97 0.02 -1.26 -4.57 135.00 135.72 1k9b s PRO 7 Ca 0.00 0.28 0.04 0.00 0.02 0.00 0.00 61.00 61.34 1k9b s PRO 7 Cb 0.00 -3.60 -0.04 0.00 0.02 0.00 0.00 34.50 30.88 1k9b s PRO 7 CO 0.00 -0.21 0.04 0.00 -0.33 0.00 0.00 177.00 176.50 1k9b h ASP 10 N 8.02 -0.01 -3.49 0.00 3.45 -1.88 -3.20 116.42 119.31 1k9b h ASP 10 Ca -0.19 -0.85 -0.69 0.00 0.43 0.00 0.00 57.03 55.73 1k9b h ASP 10 Cb 1.12 0.00 -0.19 0.00 -0.56 0.00 0.00 39.33 39.70 1k9b h ASP 10 CO 0.14 0.88 -0.17 -1.10 -1.57 0.00 0.00 179.24 177.42 1k9b s GLN 11 N -2.49 3.10 0.12 3.56 -0.21 -1.26 -4.91 119.66 117.56 1k9b s GLN 11 Ca -0.17 -0.79 0.10 0.00 0.02 0.00 0.00 55.36 54.51 1k9b s GLN 11 Cb -0.02 -3.99 -0.04 0.00 1.00 0.00 0.00 33.01 29.96 1k9b s GLN 11 CO 0.64 -0.92 -0.21 0.00 -2.12 0.00 0.00 175.29 172.68 1k9b s ALA 13 N -1.10 0.34 -0.12 0.00 0.00 -0.61 -4.97 121.76 115.30 1k9b s ALA 13 Ca 0.16 -0.14 -0.07 0.00 0.00 0.00 0.00 51.96 51.92 1k9b s ALA 13 Cb -0.10 -0.11 0.05 0.00 0.00 0.00 0.00 23.12 22.95 1k9b s ALA 13 CO 0.09 0.07 0.29 0.00 0.00 0.00 0.00 175.76 176.20 1k9b s THR 15 N 1.08 3.03 -0.68 0.00 -4.23 -0.69 -4.92 115.64 109.22 1k9b s THR 15 Ca -0.08 0.76 -0.27 0.00 -1.18 0.00 0.00 61.69 60.92 1k9b s THR 15 Cb -0.08 -3.38 0.02 0.00 1.34 0.00 0.00 72.50 70.40 1k9b s THR 15 CO -0.08 -0.02 1.36 -0.54 -0.54 0.00 0.00 174.62 174.80 1k9b s LYS 16 N -2.77 3.17 -0.28 3.99 1.02 -1.26 -4.42 119.74 119.19 1k9b s LYS 16 Ca 0.65 0.01 -0.32 0.00 0.02 0.00 0.00 55.97 56.34 1k9b s LYS 16 Cb -0.29 -4.18 0.18 0.00 -0.52 0.00 0.00 37.83 33.02 1k9b s LYS 16 CO 0.35 -2.14 1.36 -1.54 -0.92 0.00 0.00 175.35 172.46 1k9b s SER 17 N 4.28 -0.03 -0.28 2.83 1.04 -1.26 -5.06 113.70 115.22 1k9b s SER 17 Ca 0.42 0.03 -0.08 0.00 0.48 0.00 0.00 55.95 56.80 1k9b s SER 17 Cb -0.09 0.03 -0.02 0.00 0.10 0.00 0.00 66.02 66.04 1k9b s SER 17 CO 0.18 -0.03 0.11 0.20 0.98 0.00 0.00 173.24 174.67 1k9b s ASN 18 N -1.29 5.33 0.81 7.02 0.02 -1.26 -1.14 114.94 124.43 1k9b s ASN 18 Ca 0.10 -0.37 -0.11 0.00 -1.02 0.00 0.00 52.86 51.45 1k9b s ASN 18 Cb -0.01 -1.96 0.10 0.00 0.02 0.00 0.00 41.25 39.40 1k9b s ASN 18 CO -0.07 -0.11 1.16 -2.16 0.02 0.00 0.00 177.10 175.95 1k9b s PRO 19 N 1.61 1.79 0.14 -0.60 0.04 -1.26 -5.12 135.00 131.61 1k9b s PRO 19 Ca 0.05 -0.08 -0.08 0.00 0.04 0.00 0.00 61.00 60.94 1k9b s PRO 19 Cb -0.16 -1.99 -0.06 0.00 0.04 0.00 0.00 34.50 32.33 1k9b s PRO 19 CO 0.05 -1.65 0.43 -1.25 0.04 0.00 0.00 177.00 174.62 1k9b s PRO 20 N -5.55 3.72 -0.24 0.56 0.04 -0.29 -5.04 135.00 128.20 1k9b s PRO 20 Ca 0.64 0.10 -0.10 0.00 0.04 0.00 0.00 61.00 61.68 1k9b s PRO 20 Cb -0.10 -2.85 -0.05 0.00 0.04 0.00 0.00 34.50 31.54 1k9b s PRO 20 CO 0.49 0.46 0.15 1.14 0.04 0.00 0.00 177.00 179.28 1k9b s GLN 21 N -2.43 4.03 -0.05 4.56 0.00 -1.26 -4.06 119.66 120.45 1k9b s GLN 21 Ca 0.40 -0.29 0.06 0.00 -0.00 0.00 0.00 55.36 55.52 1k9b s GLN 21 Cb -0.13 -3.51 -0.01 0.00 0.00 0.00 0.00 33.01 29.37 1k9b s GLN 21 CO 0.21 0.05 -0.22 0.00 0.00 0.00 0.00 175.29 175.33 1k9b s ARG 23 N -0.12 1.97 -0.27 0.00 0.52 0.03 -1.75 118.95 119.32 1k9b s ARG 23 Ca -0.03 -1.49 -0.04 0.00 -0.52 0.00 0.00 55.73 53.65 1k9b s ARG 23 Cb -0.13 -2.01 0.02 0.00 0.52 0.00 0.00 34.95 33.35 1k9b s ARG 23 CO 0.03 0.38 -0.01 0.00 0.02 0.00 0.00 175.30 175.72 1k9b n SER 25 N 4.74 0.06 -4.83 0.00 7.64 -0.60 -4.35 113.62 116.28 1k9b n SER 25 Ca -0.16 0.36 -0.32 0.00 1.01 0.00 0.00 58.87 59.77 1k9b n SER 25 Cb 0.47 -0.40 -0.00 0.00 -1.01 0.00 0.00 64.21 63.27 1k9b n SER 25 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 1k9b s ASP 26 N -2.96 6.11 -0.16 6.43 -4.77 -1.26 -4.99 116.67 115.08 1k9b s ASP 26 Ca 0.15 1.63 -0.00 0.00 -3.30 0.00 0.00 52.55 51.03 1k9b s ASP 26 Cb 0.19 -2.51 0.04 0.00 -1.09 0.00 0.00 42.92 39.55 1k9b s ASP 26 CO 0.54 -0.94 -0.07 0.00 0.70 0.00 0.00 175.17 175.40 1k9b s MET 27 N -4.39 1.59 0.37 2.11 0.23 -1.26 -4.51 119.30 113.44 1k9b s MET 27 Ca 0.60 -0.51 0.08 0.00 -1.03 0.00 0.00 55.69 54.82 1k9b s MET 27 Cb -0.13 -1.98 -0.02 0.00 -1.53 0.00 0.00 34.83 31.17 1k9b s MET 27 CO 0.40 -0.38 0.35 1.03 -2.03 0.00 0.00 175.02 174.39 1k9b s ARG 28 N 1.61 2.67 -0.15 3.16 1.81 0.06 -4.88 118.95 123.23 1k9b s ARG 28 Ca 0.02 -1.38 -0.12 0.00 -1.72 0.00 0.00 55.73 52.53 1k9b s ARG 28 Cb -0.15 -2.47 -0.05 0.00 -0.45 0.00 0.00 34.95 31.84 1k9b s ARG 28 CO -0.08 -0.04 0.25 -0.51 -0.68 0.00 0.00 175.30 174.24 1k9b s LEU 29 N -4.08 4.28 0.00 2.53 1.43 -1.26 0.53 118.68 122.12 1k9b s LEU 29 Ca 0.45 0.49 0.00 0.00 -1.03 0.00 0.00 54.13 54.04 1k9b s LEU 29 Cb -0.05 -2.29 0.00 0.00 0.03 0.00 0.00 46.19 43.87 1k9b s LEU 29 CO 0.28 0.18 0.00 0.59 0.23 0.00 0.00 176.35 177.63 1k9b n ASN 30 N 3.16 0.00 -3.50 2.29 3.02 0.38 -4.89 115.26 115.73 1k9b n ASN 30 Ca -0.14 0.00 -0.11 0.00 -0.03 0.00 0.00 54.58 54.30 1k9b n ASN 30 Cb 0.52 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.66 1k9b n ASN 30 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1k9b s SER 31 N 0.00 -0.44 0.89 6.41 1.04 -1.26 -4.95 113.70 115.38 1k9b s SER 31 Ca 0.00 0.16 -0.12 0.00 0.48 0.00 0.00 55.95 56.47 1k9b s SER 31 Cb 0.00 0.43 0.12 0.00 0.10 0.00 0.00 66.02 66.67 1k9b s SER 31 CO 0.00 -0.64 1.10 0.00 0.98 0.00 0.00 173.24 174.68 1k9b s HIS 33 N -3.04 0.66 0.41 0.00 -3.43 -1.26 -4.88 115.29 103.75 1k9b s HIS 33 Ca 0.63 0.76 0.12 0.00 -0.80 0.00 0.00 55.06 55.77 1k9b s HIS 33 Cb -0.17 -3.17 0.86 0.00 -1.43 0.00 0.00 32.58 28.67 1k9b s HIS 33 CO 0.56 -4.06 1.93 0.77 -2.00 0.00 0.00 174.74 171.95 1k9b h SER 34 N -2.74 0.12 -0.80 7.38 0.02 -1.97 -2.07 113.55 113.49 1k9b h SER 34 Ca -0.51 -0.02 -0.49 0.00 -0.84 0.00 0.00 61.79 59.92 1k9b h SER 34 Cb 1.33 -0.03 -0.27 0.00 0.14 0.00 0.00 62.40 63.56 1k9b h SER 34 CO 0.41 0.31 0.32 0.00 -1.14 0.00 0.00 176.83 176.73 1k9b n ALA 35 N -2.49 5.46 -2.82 3.77 0.00 -1.26 -4.91 120.51 118.24 1k9b n ALA 35 Ca -0.01 -3.29 -0.38 0.00 0.00 0.00 0.00 53.44 49.75 1k9b n ALA 35 Cb 0.27 -1.21 -0.12 0.00 0.00 0.00 0.00 19.45 18.39 1k9b n ALA 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1k9b h LYS 37 N 8.35 -0.38 -4.79 0.00 6.56 -1.91 -3.44 116.57 120.97 1k9b h LYS 37 Ca -0.34 0.03 -0.66 0.00 -1.06 0.00 0.00 60.65 58.61 1k9b h LYS 37 Cb 1.16 0.09 -0.18 0.00 -0.57 0.00 0.00 32.23 32.72 1k9b h LYS 37 CO 0.60 -0.25 -0.50 0.45 -2.06 0.00 0.00 179.45 177.69 1k9b s SER 38 N -3.22 6.01 -0.14 0.86 0.15 -1.26 -5.06 113.70 111.04 1k9b s SER 38 Ca -0.06 -0.27 0.02 0.00 0.70 0.00 0.00 55.95 56.34 1k9b s SER 38 Cb 0.01 -2.12 0.01 0.00 -1.71 0.00 0.00 66.02 62.21 1k9b s SER 38 CO 0.17 -0.16 -0.19 0.00 1.20 0.00 0.00 173.24 174.26 1k9b s ILE 40 N 0.98 1.63 0.11 0.00 2.07 -0.20 -4.98 121.20 120.81 1k9b s ILE 40 Ca -0.04 -1.13 0.08 0.00 -1.41 0.00 0.00 60.65 58.15 1k9b s ILE 40 Cb -0.15 -1.78 -0.04 0.00 0.13 0.00 0.00 42.46 40.62 1k9b s ILE 40 CO -0.04 0.05 -0.16 0.00 -1.91 0.00 0.00 174.94 172.89 1k9b s ALA 42 N -1.14 3.91 -1.19 0.00 0.00 0.10 -4.86 121.76 118.58 1k9b s ALA 42 Ca 0.19 1.60 -0.21 0.00 0.00 0.00 0.00 51.96 53.53 1k9b s ALA 42 Cb -0.11 -3.69 -0.03 0.00 0.00 0.00 0.00 23.12 19.29 1k9b s ALA 42 CO 0.11 -0.95 1.86 -1.17 0.00 0.00 0.00 175.76 175.61 1k9b s LEU 43 N 0.81 3.30 -0.22 0.00 2.96 -1.26 -4.24 118.68 120.03 1k9b s LEU 43 Ca 0.72 -1.81 -0.30 0.00 -0.22 0.00 0.00 54.13 52.52 1k9b s LEU 43 Cb -0.50 -2.58 0.16 0.00 0.50 0.00 0.00 46.19 43.77 1k9b s LEU 43 CO 0.36 -2.45 1.19 -0.94 -1.32 0.00 0.00 176.35 173.18 1k9b s SER 44 N 5.90 -0.19 -0.17 3.68 1.04 -1.26 -5.11 113.70 117.58 1k9b s SER 44 Ca 0.63 0.20 -0.13 0.00 0.48 0.00 0.00 55.95 57.14 1k9b s SER 44 Cb 0.00 0.16 -0.05 0.00 0.10 0.00 0.00 66.02 66.23 1k9b s SER 44 CO 0.10 -0.18 0.24 -0.47 0.98 0.00 0.00 173.24 173.91 1k9b s TYR 45 N -1.13 3.44 0.80 5.02 5.04 -1.26 -1.58 117.35 127.69 1k9b s TYR 45 Ca 0.04 0.51 -0.11 0.00 -2.44 0.00 0.00 57.07 55.07 1k9b s TYR 45 Cb -0.01 -2.28 0.07 0.00 0.35 0.00 0.00 41.96 40.09 1k9b s TYR 45 CO -0.04 0.25 1.09 -1.25 -1.34 0.00 0.00 175.55 174.27 1k9b s PRO 46 N 0.44 2.02 -0.04 4.97 0.04 -1.26 -5.13 135.00 136.04 1k9b s PRO 46 Ca 0.14 0.82 -0.00 0.00 0.04 0.00 0.00 61.00 61.99 1k9b s PRO 46 Cb -0.12 -1.90 -0.04 0.00 0.04 0.00 0.00 34.50 32.48 1k9b s PRO 46 CO 0.02 -1.71 0.02 0.00 0.04 0.00 0.00 177.00 175.37 1k9b s ALA 47 N -3.04 3.34 -0.46 8.56 0.00 -0.62 -4.90 121.76 124.63 1k9b s ALA 47 Ca 0.61 -0.87 -0.19 0.00 0.00 0.00 0.00 51.96 51.51 1k9b s ALA 47 Cb -0.16 -1.45 0.04 0.00 0.00 0.00 0.00 23.12 21.55 1k9b s ALA 47 CO 0.55 0.63 0.60 -0.65 0.00 0.00 0.00 175.76 176.89 1k9b s GLN 48 N -1.28 3.18 -0.20 0.00 -0.21 -1.26 -0.47 119.66 119.43 1k9b s GLN 48 Ca 0.17 -0.65 -0.07 0.00 0.02 0.00 0.00 55.36 54.84 1k9b s GLN 48 Cb -0.11 -4.02 -0.03 0.00 1.00 0.00 0.00 33.01 29.85 1k9b s GLN 48 CO 0.07 -1.08 0.05 0.00 -2.12 0.00 0.00 175.29 172.21 1k9b s PHE 50 N 0.75 3.08 -0.28 0.00 0.40 -0.78 -0.76 117.98 120.40 1k9b s PHE 50 Ca 0.02 -0.12 -0.05 0.00 -0.60 0.00 0.00 56.93 56.18 1k9b s PHE 50 Cb -0.14 -1.40 0.02 0.00 0.51 0.00 0.00 43.02 42.01 1k9b s PHE 50 CO 0.02 0.52 0.03 0.00 0.70 0.00 0.00 175.22 176.49 1k9b n VAL 52 N 4.79 0.07 -1.53 0.00 0.24 -0.62 -4.21 118.33 117.06 1k9b n VAL 52 Ca -0.15 -0.28 -0.40 0.00 -2.04 0.00 0.00 64.34 61.46 1k9b n VAL 52 Cb 0.48 0.45 0.02 0.00 -1.47 0.00 0.00 33.84 33.32 1k9b n VAL 52 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1k9b n ASP 53 N 0.22 0.06 -2.59 -1.34 8.00 -1.25 -4.94 116.55 114.72 1k9b n ASP 53 Ca 0.18 0.91 -0.27 0.00 0.71 0.00 0.00 54.79 56.32 1k9b n ASP 53 Cb 0.35 -1.25 -0.01 0.00 -0.02 0.00 0.00 41.12 40.19 1k9b n ASP 53 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 1k9b n ILE 54 N -1.00 2.56 -1.11 0.53 -5.35 -1.26 -4.29 119.36 109.44 1k9b n ILE 54 Ca 0.11 -5.07 -0.34 0.00 -0.27 0.00 0.00 62.75 57.18 1k9b n ILE 54 Cb 0.42 -1.30 0.12 0.00 -1.74 0.00 0.00 39.64 37.14 1k9b n ILE 54 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1k9b n THR 55 N -0.43 1.90 -0.99 7.28 -2.24 -0.72 -3.59 114.28 115.49 1k9b n THR 55 Ca 0.38 -0.23 -0.24 0.00 -2.27 0.00 0.00 64.05 61.68 1k9b n THR 55 Cb 0.59 -1.10 0.08 0.00 -2.10 0.00 0.00 70.33 67.80 1k9b n THR 55 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1k9b n ASP 56 N -2.74 6.12 -3.54 3.42 5.75 -1.26 -0.35 116.55 123.95 1k9b n ASP 56 Ca 0.13 -3.37 -0.11 0.00 -0.01 0.00 0.00 54.79 51.43 1k9b n ASP 56 Cb 0.51 -0.94 -0.04 0.00 -1.03 0.00 0.00 41.12 39.61 1k9b n ASP 56 CO 0.00 0.00 0.00 0.72 -0.11 0.00 0.00 177.20 177.81 1k9b s PHE 57 N -2.74 -0.41 -0.01 2.11 -0.71 -1.26 -4.53 117.98 110.43 1k9b s PHE 57 Ca 0.47 0.58 -0.15 0.00 -1.04 0.00 0.00 56.93 56.78 1k9b s PHE 57 Cb 0.37 0.47 -0.06 0.00 -1.21 0.00 0.00 43.02 42.60 1k9b s PHE 57 CO 0.02 -0.46 0.43 0.00 -1.34 0.00 0.00 175.22 173.87 1k9b s TYR 59 N -0.89 1.37 0.38 0.00 2.02 -1.26 -5.04 117.35 113.92 1k9b s TYR 59 Ca 0.24 0.82 -0.03 0.00 -0.37 0.00 0.00 57.07 57.73 1k9b s TYR 59 Cb -0.17 -3.29 -0.04 0.00 -0.40 0.00 0.00 41.96 38.06 1k9b s TYR 59 CO 0.13 -3.45 0.63 -1.83 -1.57 0.00 0.00 175.55 169.46 1k9b s GLU 60 N -5.05 3.54 0.14 -0.62 -1.05 -1.26 -4.53 118.70 109.87 1k9b s GLU 60 Ca 0.68 -0.08 -0.01 0.00 -0.15 0.00 0.00 54.97 55.41 1k9b s GLU 60 Cb -0.16 -2.56 0.02 0.00 -0.44 0.00 0.00 34.13 30.98 1k9b s GLU 60 CO 0.58 0.04 0.04 -2.30 0.95 0.00 0.00 175.26 174.57 1k9b n PRO 61 N -1.76 1.03 -3.93 -4.83 -0.02 -1.21 -0.34 135.00 123.94 1k9b n PRO 61 Ca -0.02 -0.06 -0.22 0.00 -2.02 0.00 0.00 63.50 61.18 1k9b n PRO 61 Cb 0.55 -0.24 -0.05 0.00 -0.02 0.00 0.00 33.50 33.74 1k9b n PRO 61 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48