#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 1.14 -0.10 -0.18 -4.23 -1.26 -4.18 115.64 106.83 1jkz s THR 2 Ca 0.00 -0.61 0.01 0.00 -1.18 0.00 0.00 61.69 59.90 1jkz s THR 2 Cb 0.00 -0.96 -0.02 0.00 1.34 0.00 0.00 72.50 72.86 1jkz s THR 2 CO 0.00 0.32 -0.12 0.00 -0.54 0.00 0.00 174.62 174.29 1jkz s GLU 4 N -0.07 2.61 -0.05 0.00 -1.05 -1.26 -1.62 118.70 117.25 1jkz s GLU 4 Ca -0.02 -1.20 -0.09 0.00 -0.15 0.00 0.00 54.97 53.52 1jkz s GLU 4 Cb -0.14 -2.38 0.02 0.00 -0.44 0.00 0.00 34.13 31.19 1jkz s GLU 4 CO 0.03 0.40 0.21 -1.01 0.95 0.00 0.00 175.26 175.84 1jkz s HIS 5 N -2.16 -0.16 0.03 4.83 3.76 -0.23 -4.93 115.29 116.43 1jkz s HIS 5 Ca 0.32 0.35 -0.26 0.00 -0.15 0.00 0.00 55.06 55.32 1jkz s HIS 5 Cb -0.07 0.05 -0.05 0.00 1.11 0.00 0.00 32.58 33.62 1jkz s HIS 5 CO 0.22 -0.20 0.79 -1.17 -0.85 0.00 0.00 174.74 173.53 1jkz s LEU 6 N -0.49 4.42 -0.19 0.89 0.20 -1.26 0.66 118.68 122.91 1jkz s LEU 6 Ca -0.06 1.45 -0.21 0.00 0.69 0.00 0.00 54.13 56.00 1jkz s LEU 6 Cb -0.04 -3.27 -0.03 0.00 -0.43 0.00 0.00 46.19 42.43 1jkz s LEU 6 CO 0.01 -0.04 0.63 0.00 -0.29 0.00 0.00 176.35 176.65 1jkz s ALA 7 N 0.22 3.53 -1.86 5.97 0.00 -0.58 -4.95 121.76 124.09 1jkz s ALA 7 Ca 0.40 -0.24 0.22 0.00 0.00 0.00 0.00 51.96 52.34 1jkz s ALA 7 Cb -0.20 -2.96 1.27 0.00 0.00 0.00 0.00 23.12 21.23 1jkz s ALA 7 CO 0.23 -0.50 1.70 -0.25 0.00 0.00 0.00 175.76 176.94 1jkz n ASP 8 N 4.91 0.00 -2.65 0.00 8.00 -1.26 -3.36 116.55 122.19 1jkz n ASP 8 Ca -0.02 -0.53 -0.34 0.00 0.71 0.00 0.00 54.79 54.61 1jkz n ASP 8 Cb 0.50 -0.07 0.03 0.00 -0.02 0.00 0.00 41.12 41.56 1jkz n ASP 8 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1jkz n THR 9 N -1.07 3.13 -3.19 -3.53 -2.24 -1.26 -4.97 114.28 101.15 1jkz n THR 9 Ca 0.15 -4.36 0.00 0.00 -2.27 0.00 0.00 64.05 57.57 1jkz n THR 9 Cb 0.10 -1.23 0.00 0.00 -2.10 0.00 0.00 70.33 67.09 1jkz n THR 9 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jkz n TYR 10 N -0.57 -1.62 -1.38 4.78 9.36 -1.21 -5.02 117.16 121.49 1jkz n TYR 10 Ca 0.49 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.71 1jkz n TYR 10 Cb 0.47 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.18 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 -0.54 3.97 0.00 2.98 1.74 -1.26 -5.14 116.66 118.41 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 1.61 3.85 -0.13 0.00 -1.26 -5.00 105.19 109.26 1jkz n GLY 12 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 0.12 4.95 0.14 1.61 1.01 -1.26 -4.60 120.40 122.36 1jkz s VAL 13 Ca 0.00 0.71 -0.03 0.00 0.00 0.00 0.00 61.98 62.66 1jkz s VAL 13 Cb 0.00 -3.71 -0.05 0.00 0.00 0.00 0.00 36.38 32.62 1jkz s VAL 13 CO 0.00 0.29 0.35 0.00 0.00 0.00 0.00 175.10 175.74 1jkz n PHE 15 N -0.08 0.00 -5.11 0.00 3.01 -1.26 -4.98 117.46 109.03 1jkz n PHE 15 Ca -0.03 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 58.11 1jkz n PHE 15 Cb 0.52 0.11 -0.15 0.00 -0.01 0.00 0.00 39.48 39.94 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 -1.80 2.43 0.30 4.37 -4.23 -1.26 -5.02 115.64 110.42 1jkz s THR 16 Ca 0.00 -0.93 0.02 0.00 -1.18 0.00 0.00 61.69 59.60 1jkz s THR 16 Cb 0.00 -1.92 0.41 0.00 1.34 0.00 0.00 72.50 72.33 1jkz s THR 16 CO 0.00 0.57 1.52 0.59 -0.54 0.00 0.00 174.62 176.76 1jkz n ASN 17 N 2.85 -0.11 -0.49 3.99 4.13 -1.26 0.58 115.26 124.94 1jkz n ASN 17 Ca -0.17 1.65 0.42 0.00 1.68 0.00 0.00 54.58 58.16 1jkz n ASN 17 Cb 0.52 -0.60 0.74 0.00 -1.54 0.00 0.00 39.78 38.90 1jkz n ASN 17 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1jkz h ALA 18 N 1.94 3.27 -0.87 5.41 0.00 -1.95 0.25 119.26 127.31 1jkz h ALA 18 Ca 0.59 -0.01 0.17 0.00 0.00 0.00 0.00 54.91 55.65 1jkz h ALA 18 Cb 1.22 0.13 -0.10 0.00 0.00 0.00 0.00 17.79 19.03 1jkz h ALA 18 CO -0.92 -1.76 0.43 0.77 0.00 0.00 0.00 179.25 177.78 1jkz h SER 19 N 0.04 0.49 0.09 0.00 0.02 -0.25 -2.62 113.55 111.33 1jkz h SER 19 Ca 0.76 0.11 -0.27 0.00 -0.84 0.00 0.00 61.79 61.55 1jkz h SER 19 Cb 2.85 0.04 -0.01 0.00 0.14 0.00 0.00 62.40 65.41 1jkz h SER 19 CO -0.11 0.17 -1.41 0.00 -1.14 0.00 0.00 176.83 174.33 1jkz h ASP 21 N -0.40 -0.61 0.10 0.00 1.82 -1.19 1.59 116.42 117.73 1jkz h ASP 21 Ca -0.32 0.09 0.02 0.00 -0.39 0.00 0.00 57.03 56.43 1jkz h ASP 21 Cb 1.69 0.26 -0.05 0.00 0.68 0.00 0.00 39.33 41.91 1jkz h ASP 21 CO 0.01 -0.10 -0.44 -0.78 -1.61 0.00 0.00 179.24 176.32 1jkz h ASP 22 N -0.07 -1.31 -0.32 2.28 1.82 -1.68 -1.45 116.42 115.68 1jkz h ASP 22 Ca 0.03 0.15 0.03 0.00 -0.39 0.00 0.00 57.03 56.85 1jkz h ASP 22 Cb 0.16 0.49 -0.05 0.00 0.68 0.00 0.00 39.33 40.62 1jkz h ASP 22 CO -0.22 -0.50 -0.29 -0.74 -1.61 0.00 0.00 179.24 175.88 1jkz h HIS 23 N -0.66 -0.90 -0.32 0.28 2.76 -1.36 0.42 115.15 115.37 1jkz h HIS 23 Ca 0.02 0.05 0.07 0.00 -2.20 0.00 0.00 60.37 58.31 1jkz h HIS 23 Cb 0.69 0.43 -0.08 0.00 1.55 0.00 0.00 27.41 30.01 1jkz h HIS 23 CO -0.39 -0.22 -0.28 0.00 -1.30 0.00 0.00 177.93 175.73 1jkz h LYS 25 N -0.25 0.88 0.09 0.00 1.57 -0.58 0.45 116.57 118.72 1jkz h LYS 25 Ca 0.16 -0.05 -0.27 0.00 -1.87 0.00 0.00 60.65 58.62 1jkz h LYS 25 Cb 0.50 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 1jkz h LYS 25 CO -0.46 0.58 -1.28 -0.91 -0.57 0.00 0.00 179.45 176.81 1jkz h ASN 26 N 0.90 0.29 0.02 0.86 2.35 0.38 -3.25 115.58 117.13 1jkz h ASN 26 Ca 0.28 -0.34 -0.18 0.00 -0.55 0.00 0.00 56.30 55.50 1jkz h ASN 26 Cb -0.03 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.23 1jkz h ASN 26 CO -0.09 1.28 -0.99 0.11 -1.65 0.00 0.00 177.43 176.09 1jkz h LYS 27 N 0.05 0.04 -2.92 0.81 1.79 0.14 -3.43 116.57 113.06 1jkz h LYS 27 Ca -0.14 -0.07 -0.61 0.00 -2.18 0.00 0.00 60.65 57.64 1jkz h LYS 27 Cb 1.94 0.03 -0.41 0.00 -1.58 0.00 0.00 32.23 32.21 1jkz h LYS 27 CO 0.17 1.03 -0.69 0.00 -1.08 0.00 0.00 179.45 178.89 1jkz s ALA 28 N -2.35 3.06 0.00 3.86 0.00 0.16 -5.02 121.76 121.47 1jkz s ALA 28 Ca -0.25 -3.36 0.00 0.00 0.00 0.00 0.00 51.96 48.35 1jkz s ALA 28 Cb 0.03 -2.01 0.00 0.00 0.00 0.00 0.00 23.12 21.15 1jkz s ALA 28 CO 0.65 -2.06 0.28 1.58 0.00 0.00 0.00 175.76 176.20 1jkz n HIS 29 N 2.40 0.00 -4.60 0.00 -0.00 -1.22 -4.38 115.22 107.41 1jkz n HIS 29 Ca 0.20 0.00 -0.27 0.00 0.46 0.00 0.00 57.72 58.11 1jkz n HIS 29 Cb 0.38 -0.19 -0.06 0.00 -0.12 0.00 0.00 29.99 29.99 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 1.71 0.00 -0.01 0.27 7.99 -1.26 -5.04 117.00 120.67 1jkz n LEU 30 Ca 0.00 -2.78 -0.13 0.00 -0.01 0.00 0.00 56.01 53.09 1jkz n LEU 30 Cb 0.14 0.48 -0.10 0.00 -0.11 0.00 0.00 43.42 43.83 1jkz n LEU 30 CO 0.14 -0.40 0.58 0.16 -1.51 0.00 0.00 177.39 176.36 1jkz h ILE 31 N 1.33 1.37 -3.56 -0.08 3.07 -1.86 -3.41 117.51 114.37 1jkz h ILE 31 Ca -0.34 -1.27 -0.07 0.00 1.55 0.00 0.00 64.86 64.73 1jkz h ILE 31 Cb 1.11 2.21 -0.07 0.00 -0.27 0.00 0.00 36.82 39.79 1jkz h ILE 31 CO 0.56 0.32 -0.04 -0.44 -1.05 0.00 0.00 178.15 177.51 1jkz s SER 32 N -5.72 0.05 -0.12 2.16 0.01 -1.26 -4.90 113.70 103.92 1jkz s SER 32 Ca -0.16 -0.99 -0.10 0.00 1.31 0.00 0.00 55.95 56.01 1jkz s SER 32 Cb 0.01 0.65 0.04 0.00 0.21 0.00 0.00 66.02 66.93 1jkz s SER 32 CO 0.65 -1.26 0.32 -0.83 0.41 0.00 0.00 173.24 172.54 1jkz s GLY 33 N -3.04 -0.23 0.13 3.44 0.00 -1.26 -2.63 107.32 103.72 1jkz s GLY 33 Ca 0.21 1.00 0.09 0.00 0.00 0.00 0.00 44.72 46.03 1jkz s GLY 33 CO 0.11 0.99 -0.21 -1.59 0.00 0.00 0.00 173.10 172.39 1jkz s THR 34 N 0.53 1.87 0.09 0.90 2.01 -0.26 -1.89 115.64 118.89 1jkz s THR 34 Ca -0.03 -1.70 -0.25 0.00 0.31 0.00 0.00 61.69 60.02 1jkz s THR 34 Cb -0.04 -1.74 -0.06 0.00 0.01 0.00 0.00 72.50 70.67 1jkz s THR 34 CO -0.03 -0.10 0.77 0.00 -0.69 0.00 0.00 174.62 174.57 1jkz s HIS 36 N -0.47 1.16 0.00 0.00 3.76 0.93 -4.95 115.29 115.73 1jkz s HIS 36 Ca 0.37 -0.36 0.00 0.00 -0.15 0.00 0.00 55.06 54.92 1jkz s HIS 36 Cb -0.21 -0.86 0.00 0.00 1.11 0.00 0.00 32.58 32.61 1jkz s HIS 36 CO 0.24 -0.19 0.00 0.27 -0.85 0.00 0.00 174.74 174.21 1jkz n ASN 37 N 3.63 0.00 -1.39 1.40 6.94 -1.26 0.11 115.26 124.70 1jkz n ASN 37 Ca -0.22 0.00 -0.00 0.00 -0.02 0.00 0.00 54.58 54.34 1jkz n ASN 37 Cb 0.52 0.00 -0.01 0.00 -2.36 0.00 0.00 39.78 37.93 1jkz n ASN 37 CO 0.00 0.00 0.00 0.79 -1.03 0.00 0.00 177.26 177.02 1jkz n TRP 38 N 0.00 -0.00 -3.93 -2.53 7.02 -1.26 -4.79 117.44 111.94 1jkz n TRP 38 Ca 0.00 -0.59 -0.11 0.00 -1.02 0.00 0.00 57.50 55.78 1jkz n TRP 38 Cb 0.00 0.13 -0.02 0.00 -2.42 0.00 0.00 31.31 29.00 1jkz n TRP 38 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 1jkz n LYS 39 N 0.22 0.52 -5.15 -0.99 5.02 0.31 -4.49 118.16 113.60 1jkz n LYS 39 Ca -0.07 -2.07 -0.31 0.00 -2.02 0.00 0.00 58.31 53.84 1jkz n LYS 39 Cb 0.96 1.99 -0.17 0.00 -0.02 0.00 0.00 35.03 37.79 1jkz n LYS 39 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1jkz s PHE 41 N 0.38 2.51 0.24 0.00 0.40 -0.22 -1.52 117.98 119.77 1jkz s PHE 41 Ca -0.18 -0.43 0.07 0.00 -0.60 0.00 0.00 56.93 55.79 1jkz s PHE 41 Cb -0.18 -1.59 -0.04 0.00 0.51 0.00 0.00 43.02 41.73 1jkz s PHE 41 CO 0.08 -0.02 0.14 0.00 0.70 0.00 0.00 175.22 176.13 1jkz s THR 43 N -2.10 4.19 -0.03 0.00 -4.23 -1.08 -1.06 115.64 111.34 1jkz s THR 43 Ca 0.32 -0.23 0.03 0.00 -1.18 0.00 0.00 61.69 60.63 1jkz s THR 43 Cb -0.08 -2.90 0.00 0.00 1.34 0.00 0.00 72.50 70.86 1jkz s THR 43 CO 0.24 0.42 -0.10 -1.58 -0.54 0.00 0.00 174.62 173.06 1jkz s GLN 44 N 0.94 1.04 0.08 3.99 0.74 -0.64 -4.29 119.66 121.52 1jkz s GLN 44 Ca 0.02 -0.34 -0.31 0.00 0.05 0.00 0.00 55.36 54.79 1jkz s GLN 44 Cb -0.14 -0.96 -0.06 0.00 1.10 0.00 0.00 33.01 32.94 1jkz s GLN 44 CO 0.02 0.13 1.26 -0.80 -0.55 0.00 0.00 175.29 175.35 1jkz s ASN 45 N 0.17 7.00 0.00 6.67 0.01 -1.26 -2.21 114.94 125.32 1jkz s ASN 45 Ca -0.03 2.12 0.00 0.00 -0.71 0.00 0.00 52.86 54.24 1jkz s ASN 45 Cb -0.09 -2.58 0.00 0.00 0.41 0.00 0.00 41.25 38.99 1jkz s ASN 45 CO 0.01 -0.52 0.00 0.00 -1.51 0.00 0.00 177.10 175.07