#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jkz s THR 2 N 0.00 0.40 0.11 0.58 -4.23 -1.26 -3.07 115.64 108.17 1jkz s THR 2 Ca 0.00 -1.38 0.07 0.00 -1.18 0.00 0.00 61.69 59.19 1jkz s THR 2 Cb 0.00 -0.96 -0.04 0.00 1.34 0.00 0.00 72.50 72.84 1jkz s THR 2 CO 0.00 -0.65 -0.08 0.00 -0.54 0.00 0.00 174.62 173.35 1jkz s GLU 4 N -2.30 3.60 -0.02 0.00 2.02 -1.26 -0.94 118.70 119.80 1jkz s GLU 4 Ca 0.23 -0.53 -0.00 0.00 0.02 0.00 0.00 54.97 54.68 1jkz s GLU 4 Cb -0.11 -3.05 0.02 0.00 0.10 0.00 0.00 34.13 31.10 1jkz s GLU 4 CO 0.15 0.03 0.03 -1.01 0.02 0.00 0.00 175.26 174.48 1jkz s HIS 5 N 0.94 0.01 0.03 1.61 3.76 -0.22 -4.95 115.29 116.47 1jkz s HIS 5 Ca 0.01 0.12 -0.30 0.00 -0.15 0.00 0.00 55.06 54.74 1jkz s HIS 5 Cb -0.14 -0.16 -0.05 0.00 1.11 0.00 0.00 32.58 33.34 1jkz s HIS 5 CO 0.02 -0.07 1.16 -1.17 -0.85 0.00 0.00 174.74 173.82 1jkz s LEU 6 N 0.79 4.35 -0.12 0.89 0.20 -1.26 -2.04 118.68 121.49 1jkz s LEU 6 Ca -0.07 1.91 -0.22 0.00 0.69 0.00 0.00 54.13 56.44 1jkz s LEU 6 Cb -0.09 -3.57 -0.03 0.00 -0.43 0.00 0.00 46.19 42.06 1jkz s LEU 6 CO -0.02 -0.45 0.68 0.00 -0.29 0.00 0.00 176.35 176.26 1jkz s ALA 7 N 1.28 3.43 -1.37 5.97 0.00 0.02 -4.96 121.76 126.13 1jkz s ALA 7 Ca 0.57 -0.02 0.30 0.00 0.00 0.00 0.00 51.96 52.80 1jkz s ALA 7 Cb -0.27 -2.97 1.42 0.00 0.00 0.00 0.00 23.12 21.30 1jkz s ALA 7 CO 0.27 -0.30 2.00 -0.40 0.00 0.00 0.00 175.76 177.34 1jkz n ASP 8 N 4.33 0.07 -3.03 0.00 5.68 -1.26 -3.97 116.55 118.36 1jkz n ASP 8 Ca -0.01 -0.09 -0.36 0.00 -0.50 0.00 0.00 54.79 53.84 1jkz n ASP 8 Cb 0.51 -0.28 0.01 0.00 -1.14 0.00 0.00 41.12 40.22 1jkz n ASP 8 CO 0.00 0.00 0.00 1.07 -1.33 0.00 0.00 177.20 176.94 1jkz n THR 9 N -1.29 3.96 -2.69 2.12 5.66 -1.26 -4.98 114.28 115.80 1jkz n THR 9 Ca 0.13 -5.09 0.00 0.00 -3.05 0.00 0.00 64.05 56.04 1jkz n THR 9 Cb 0.26 -1.36 0.00 0.00 -1.55 0.00 0.00 70.33 67.69 1jkz n THR 9 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1jkz n TYR 10 N -0.35 -0.77 -1.34 1.09 9.36 -1.25 -4.98 117.16 118.92 1jkz n TYR 10 Ca 0.46 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.68 1jkz n TYR 10 Cb 0.35 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.06 1jkz n TYR 10 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1jkz n ARG 11 N -0.26 3.97 0.00 2.98 1.74 -1.26 -5.14 116.66 118.70 1jkz n ARG 11 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1jkz n ARG 11 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 1jkz n ARG 11 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jkz n GLY 12 N 5.00 0.74 3.84 -0.13 0.00 -1.26 -5.02 105.19 108.36 1jkz n GLY 12 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1jkz n GLY 12 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jkz s VAL 13 N 0.40 4.91 0.06 1.61 1.01 -1.26 -4.82 120.40 122.31 1jkz s VAL 13 Ca 0.00 0.87 0.02 0.00 0.00 0.00 0.00 61.98 62.86 1jkz s VAL 13 Cb 0.00 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 1jkz s VAL 13 CO 0.00 0.42 0.12 0.00 0.00 0.00 0.00 175.10 175.64 1jkz n PHE 15 N 0.51 0.00 -4.60 0.00 3.01 -1.26 -4.94 117.46 110.19 1jkz n PHE 15 Ca -0.08 0.00 -0.25 0.00 1.01 0.00 0.00 57.45 58.12 1jkz n PHE 15 Cb 0.52 0.10 -0.14 0.00 -0.01 0.00 0.00 39.48 39.95 1jkz n PHE 15 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 1jkz s THR 16 N -1.97 1.68 0.42 4.37 -4.23 -1.26 -5.02 115.64 109.62 1jkz s THR 16 Ca 0.00 -1.24 0.28 0.00 -1.18 0.00 0.00 61.69 59.55 1jkz s THR 16 Cb 0.00 -1.47 0.45 0.00 1.34 0.00 0.00 72.50 72.82 1jkz s THR 16 CO 0.00 0.18 1.59 0.78 -0.54 0.00 0.00 174.62 176.63 1jkz h ASN 17 N 4.78 0.25 -0.58 3.99 4.21 -1.98 0.52 115.58 126.77 1jkz h ASN 17 Ca -0.43 0.18 0.17 0.00 1.21 0.00 0.00 56.30 57.43 1jkz h ASN 17 Cb 1.16 0.19 -0.02 0.00 -1.12 0.00 0.00 38.32 38.52 1jkz h ASN 17 CO 0.43 -0.30 0.43 0.00 -1.29 0.00 0.00 177.43 176.71 1jkz h ALA 18 N 1.73 2.51 -0.59 -0.83 0.00 -1.96 -2.47 119.26 117.64 1jkz h ALA 18 Ca 0.86 -0.02 0.12 0.00 0.00 0.00 0.00 54.91 55.87 1jkz h ALA 18 Cb 2.60 0.04 -0.09 0.00 0.00 0.00 0.00 17.79 20.34 1jkz h ALA 18 CO -0.55 -0.73 0.07 0.77 0.00 0.00 0.00 179.25 178.81 1jkz h SER 19 N 0.00 -0.11 0.10 0.00 0.02 -0.30 -1.62 113.55 111.64 1jkz h SER 19 Ca 0.27 0.13 -0.23 0.00 -0.84 0.00 0.00 61.79 61.12 1jkz h SER 19 Cb 1.14 0.20 0.02 0.00 0.14 0.00 0.00 62.40 63.90 1jkz h SER 19 CO -0.00 -0.04 -0.97 0.00 -1.14 0.00 0.00 176.83 174.67 1jkz h ASP 21 N 0.00 -0.39 -0.16 0.00 3.58 -1.28 0.69 116.42 118.86 1jkz h ASP 21 Ca -0.15 0.04 0.03 0.00 0.42 0.00 0.00 57.03 57.37 1jkz h ASP 21 Cb 1.70 0.14 -0.06 0.00 1.72 0.00 0.00 39.33 42.83 1jkz h ASP 21 CO 0.19 -0.13 -0.53 -0.78 -2.88 0.00 0.00 179.24 175.11 1jkz h ASP 22 N -0.18 -1.68 -0.38 2.28 1.82 -1.48 0.55 116.42 117.35 1jkz h ASP 22 Ca -0.00 0.20 0.03 0.00 -0.39 0.00 0.00 57.03 56.88 1jkz h ASP 22 Cb 0.18 0.66 -0.05 0.00 0.68 0.00 0.00 39.33 40.80 1jkz h ASP 22 CO -0.07 -0.46 -0.23 1.57 -1.61 0.00 0.00 179.24 178.44 1jkz n HIS 23 N -5.30 -0.17 -0.13 0.28 -0.00 -1.11 0.10 115.22 108.89 1jkz n HIS 23 Ca -0.06 0.48 -0.06 0.00 0.46 0.00 0.00 57.72 58.54 1jkz n HIS 23 Cb 0.36 -0.51 0.02 0.00 -0.12 0.00 0.00 29.99 29.74 1jkz n HIS 23 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1jkz h LYS 25 N 0.45 0.89 0.11 0.00 1.57 0.22 0.27 116.57 120.08 1jkz h LYS 25 Ca 0.18 -0.05 -0.32 0.00 -1.87 0.00 0.00 60.65 58.58 1jkz h LYS 25 Cb 0.06 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.15 1jkz h LYS 25 CO -0.11 0.59 -1.69 -0.91 -0.57 0.00 0.00 179.45 176.76 1jkz h ASN 26 N 0.91 0.35 0.11 0.86 2.35 0.12 -3.30 115.58 116.98 1jkz h ASN 26 Ca 0.39 -0.58 -0.01 0.00 -0.55 0.00 0.00 56.30 55.56 1jkz h ASN 26 Cb 0.27 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.52 1jkz h ASN 26 CO -0.21 1.50 -0.05 0.11 -1.65 0.00 0.00 177.43 177.13 1jkz h LYS 27 N 0.06 -0.14 -2.81 0.81 1.79 0.29 -3.43 116.57 113.14 1jkz h LYS 27 Ca -0.30 0.01 -0.60 0.00 -2.18 0.00 0.00 60.65 57.57 1jkz h LYS 27 Cb 2.03 0.03 -0.40 0.00 -1.58 0.00 0.00 32.23 32.31 1jkz h LYS 27 CO 0.13 -0.04 -0.78 0.00 -1.08 0.00 0.00 179.45 177.69 1jkz s ALA 28 N -2.93 2.16 0.00 3.86 0.00 0.94 -5.03 121.76 120.76 1jkz s ALA 28 Ca -0.03 -2.72 0.00 0.00 0.00 0.00 0.00 51.96 49.20 1jkz s ALA 28 Cb 0.00 -1.84 0.00 0.00 0.00 0.00 0.00 23.12 21.28 1jkz s ALA 28 CO 0.11 -2.05 0.36 1.58 0.00 0.00 0.00 175.76 175.75 1jkz n HIS 29 N 3.12 0.00 -3.45 0.00 -0.00 -1.07 -4.44 115.22 109.38 1jkz n HIS 29 Ca 0.16 0.00 -0.14 0.00 0.46 0.00 0.00 57.72 58.21 1jkz n HIS 29 Cb 0.38 -0.21 0.02 0.00 -0.12 0.00 0.00 29.99 30.06 1jkz n HIS 29 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 1jkz n LEU 30 N 1.89 0.00 -0.02 0.27 4.32 -1.24 -5.01 117.00 117.21 1jkz n LEU 30 Ca 0.00 -1.61 -0.20 0.00 -0.02 0.00 0.00 56.01 54.18 1jkz n LEU 30 Cb 0.18 -0.11 -0.13 0.00 -1.62 0.00 0.00 43.42 41.73 1jkz n LEU 30 CO 0.18 -0.52 -0.29 0.16 -1.22 0.00 0.00 177.39 175.70 1jkz h ILE 31 N 0.38 1.16 -3.75 -0.08 3.07 -1.87 -3.42 117.51 112.99 1jkz h ILE 31 Ca -0.19 -2.37 -0.11 0.00 1.55 0.00 0.00 64.86 63.75 1jkz h ILE 31 Cb 0.74 2.77 -0.09 0.00 -0.27 0.00 0.00 36.82 39.98 1jkz h ILE 31 CO 0.28 0.63 -0.13 -0.44 -1.05 0.00 0.00 178.15 177.44 1jkz s SER 32 N -6.89 0.12 -0.27 2.16 0.01 -1.26 -5.00 113.70 102.56 1jkz s SER 32 Ca -0.21 -1.07 -0.17 0.00 1.31 0.00 0.00 55.95 55.81 1jkz s SER 32 Cb 0.03 0.61 0.08 0.00 0.21 0.00 0.00 66.02 66.95 1jkz s SER 32 CO 0.73 -1.19 0.67 -0.83 0.41 0.00 0.00 173.24 173.04 1jkz s GLY 33 N -3.07 -0.60 0.06 3.44 0.00 -1.26 -3.05 107.32 102.84 1jkz s GLY 33 Ca 0.24 2.31 0.08 0.00 0.00 0.00 0.00 44.72 47.35 1jkz s GLY 33 CO 0.11 2.26 -0.21 -1.59 0.00 0.00 0.00 173.10 173.67 1jkz s THR 34 N 1.43 1.73 0.04 0.90 2.01 -1.11 -2.76 115.64 117.87 1jkz s THR 34 Ca -0.08 -1.30 -0.28 0.00 0.31 0.00 0.00 61.69 60.33 1jkz s THR 34 Cb -0.05 -1.52 -0.04 0.00 0.01 0.00 0.00 72.50 70.90 1jkz s THR 34 CO -0.16 0.16 0.89 0.00 -0.69 0.00 0.00 174.62 174.82 1jkz s HIS 36 N 0.44 1.62 -1.15 0.00 3.76 0.46 -4.88 115.29 115.54 1jkz s HIS 36 Ca 0.46 -1.44 -0.23 0.00 -0.15 0.00 0.00 55.06 53.70 1jkz s HIS 36 Cb -0.21 -1.46 -0.00 0.00 1.11 0.00 0.00 32.58 32.02 1jkz s HIS 36 CO 0.26 -0.76 0.78 0.09 -0.85 0.00 0.00 174.74 174.26 1jkz n ASN 37 N 4.88 -5.09 -0.80 1.40 3.02 -1.26 -0.60 115.26 116.81 1jkz n ASN 37 Ca -0.06 -1.06 -0.10 0.00 -0.03 0.00 0.00 54.58 53.32 1jkz n ASN 37 Cb 0.44 -3.11 -0.04 0.00 -0.61 0.00 0.00 39.78 36.46 1jkz n ASN 37 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 1jkz n TRP 38 N -4.33 0.00 -4.38 3.10 5.03 -1.26 -4.99 117.44 110.61 1jkz n TRP 38 Ca -0.10 0.00 -0.20 0.00 3.03 0.00 0.00 57.50 60.23 1jkz n TRP 38 Cb 0.59 -2.38 -0.10 0.00 -1.03 0.00 0.00 31.31 28.38 1jkz n TRP 38 CO 0.00 0.00 0.00 0.15 -0.03 0.00 0.00 177.69 177.81 1jkz s LYS 39 N -2.72 1.44 -0.23 -0.99 1.02 0.23 -4.74 119.74 113.75 1jkz s LYS 39 Ca 0.00 -1.64 -0.02 0.00 0.02 0.00 0.00 55.97 54.33 1jkz s LYS 39 Cb 0.00 -1.33 0.01 0.00 -0.52 0.00 0.00 37.83 36.00 1jkz s LYS 39 CO 0.00 0.23 -0.08 0.00 -0.92 0.00 0.00 175.35 174.58 1jkz s PHE 41 N 1.36 3.36 0.32 0.00 0.40 -0.66 -0.80 117.98 121.96 1jkz s PHE 41 Ca 0.03 -2.02 0.08 0.00 -0.60 0.00 0.00 56.93 54.41 1jkz s PHE 41 Cb -0.15 -2.40 -0.04 0.00 0.51 0.00 0.00 43.02 40.94 1jkz s PHE 41 CO -0.06 -0.84 0.20 0.00 0.70 0.00 0.00 175.22 175.21 1jkz s THR 43 N -2.32 4.29 0.04 0.00 -4.23 -1.17 -1.05 115.64 111.20 1jkz s THR 43 Ca 0.38 -0.25 0.03 0.00 -1.18 0.00 0.00 61.69 60.66 1jkz s THR 43 Cb -0.05 -2.81 -0.02 0.00 1.34 0.00 0.00 72.50 70.96 1jkz s THR 43 CO 0.24 0.60 -0.09 -1.58 -0.54 0.00 0.00 174.62 173.25 1jkz s GLN 44 N -0.82 0.61 0.32 3.99 0.74 -0.12 -3.51 119.66 120.88 1jkz s GLN 44 Ca 0.13 -0.76 -0.29 0.00 0.05 0.00 0.00 55.36 54.49 1jkz s GLN 44 Cb -0.11 -0.46 -0.12 0.00 1.10 0.00 0.00 33.01 33.41 1jkz s GLN 44 CO 0.02 0.10 1.50 0.09 -0.55 0.00 0.00 175.29 176.45 1jkz n ASN 45 N 1.57 3.57 0.00 6.67 3.02 -1.26 -1.02 115.26 127.81 1jkz n ASN 45 Ca -0.21 1.18 0.00 0.00 -0.03 0.00 0.00 54.58 55.52 1jkz n ASN 45 Cb 0.55 -1.57 0.00 0.00 -0.61 0.00 0.00 39.78 38.15 1jkz n ASN 45 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64