#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 0.00 -0.09 -0.18 -4.23 -1.26 -4.22 115.64 105.66 1jkz s THR 2 Ca 0.00 -1.63 0.02 0.00 -1.18 0.00 0.00 61.69 58.90 1jkz s THR 2 Cb 0.00 -2.34 -0.02 0.00 1.34 0.00 0.00 72.50 71.48 1jkz s THR 2 CO 0.00 0.00 -0.13 0.00 -0.54 0.00 0.00 174.62 173.95 1jkz s GLU 4 N -0.26 3.01 -0.02 0.00 2.02 -1.26 0.20 118.70 122.39 1jkz s GLU 4 Ca 0.02 -0.58 0.00 0.00 0.02 0.00 0.00 54.97 54.43 1jkz s GLU 4 Cb -0.13 -2.64 0.02 0.00 0.10 0.00 0.00 34.13 31.48 1jkz s GLU 4 CO 0.03 0.51 0.02 -1.01 0.02 0.00 0.00 175.26 174.82 1jkz s HIS 5 N -0.39 0.09 -0.16 1.61 3.76 0.83 -4.92 115.29 116.12 1jkz s HIS 5 Ca 0.05 0.08 -0.28 0.00 -0.15 0.00 0.00 55.06 54.77 1jkz s HIS 5 Cb -0.12 -0.24 -0.01 0.00 1.11 0.00 0.00 32.58 33.32 1jkz s HIS 5 CO 0.02 -0.08 0.93 -1.17 -0.85 0.00 0.00 174.74 173.60 1jkz s LEU 6 N 0.86 4.18 -0.10 0.89 2.96 -1.26 0.31 118.68 126.52 1jkz s LEU 6 Ca -0.08 1.34 -0.26 0.00 -0.22 0.00 0.00 54.13 54.91 1jkz s LEU 6 Cb -0.11 -3.41 -0.02 0.00 0.50 0.00 0.00 46.19 43.15 1jkz s LEU 6 CO -0.02 -0.47 0.86 0.00 -1.32 0.00 0.00 176.35 175.40 1jkz s ALA 7 N 2.31 3.39 -1.39 5.97 0.00 -0.69 -4.94 121.76 126.42 1jkz s ALA 7 Ca 0.43 0.21 0.29 0.00 0.00 0.00 0.00 51.96 52.88 1jkz s ALA 7 Cb -0.17 -3.22 1.26 0.00 0.00 0.00 0.00 23.12 20.99 1jkz s ALA 7 CO 0.13 -0.44 1.90 -3.47 0.00 0.00 0.00 175.76 173.88 1jkz n ASP 8 N 4.62 0.22 -3.38 0.00 2.03 -1.26 -4.09 116.55 114.69 1jkz n ASP 8 Ca 0.04 -0.19 -0.36 0.00 0.52 0.00 0.00 54.79 54.81 1jkz n ASP 8 Cb 0.50 -0.20 -0.00 0.00 -0.72 0.00 0.00 41.12 40.69 1jkz n ASP 8 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1jkz n THR 9 N -1.22 4.95 -3.03 5.18 -2.24 -1.26 -4.99 114.28 111.67 1jkz n THR 9 Ca 0.12 -5.83 0.00 0.00 -2.27 0.00 0.00 64.05 56.07 1jkz n THR 9 Cb 0.28 -1.51 0.00 0.00 -2.10 0.00 0.00 70.33 67.00 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 -0.10 -1.26 -1.28 4.78 9.36 -1.26 -5.00 117.16 122.39 1jkz n TYR 10 Ca 0.41 0.00 -0.09 0.00 3.32 0.00 0.00 57.90 61.54 1jkz n TYR 10 Cb 0.31 0.00 0.22 0.00 -0.63 0.00 0.00 39.34 39.24 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 -0.42 2.34 0.00 2.98 1.74 -1.26 -5.03 116.66 117.01 1jkz n ARG 11 Ca 0.00 -3.09 0.00 0.00 -0.77 0.00 0.00 57.85 53.99 1jkz n ARG 11 Cb 0.00 -1.98 0.00 0.00 -1.02 0.00 0.00 32.46 29.46 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 -0.93 1.93 3.85 -0.13 0.00 -1.26 -4.83 105.19 103.81 1jkz n GLY 12 Ca 0.41 0.01 -0.33 0.00 0.00 0.00 0.00 46.02 46.11 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 0.00 4.76 0.10 1.61 1.01 -1.26 -4.58 120.40 122.04 1jkz s VAL 13 Ca 0.00 0.85 0.06 0.00 0.00 0.00 0.00 61.98 62.88 1jkz s VAL 13 Cb 0.00 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 1jkz s VAL 13 CO 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 175.10 175.05 1jkz n PHE 15 N 0.53 0.00 -4.07 0.00 3.01 -1.26 -5.03 117.46 110.65 1jkz n PHE 15 Ca -0.11 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.25 1jkz n PHE 15 Cb 0.52 -0.01 -0.11 0.00 -0.01 0.00 0.00 39.48 39.87 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 -2.01 0.37 0.43 4.37 -4.23 -1.26 -5.04 115.64 108.27 1jkz s THR 16 Ca -0.00 -1.41 0.16 0.00 -1.18 0.00 0.00 61.69 59.26 1jkz s THR 16 Cb 0.00 -0.99 0.36 0.00 1.34 0.00 0.00 72.50 73.22 1jkz s THR 16 CO 0.01 -0.68 1.91 0.78 -0.54 0.00 0.00 174.62 176.10 1jkz h ASN 17 N 3.85 0.38 -0.81 3.99 2.35 -1.97 -1.11 115.58 122.26 1jkz h ASN 17 Ca -0.34 0.02 0.17 0.00 -0.55 0.00 0.00 56.30 55.60 1jkz h ASN 17 Cb 1.18 -0.05 -0.06 0.00 0.05 0.00 0.00 38.32 39.44 1jkz h ASN 17 CO 0.53 0.19 0.54 0.00 -1.65 0.00 0.00 177.43 177.04 1jkz h ALA 18 N 1.64 2.14 0.29 -0.83 0.00 -1.96 -2.63 119.26 117.91 1jkz h ALA 18 Ca 0.38 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.30 1jkz h ALA 18 Cb 0.90 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 1jkz h ALA 18 CO -0.12 -0.38 -0.50 0.66 0.00 0.00 0.00 179.25 178.92 1jkz h SER 19 N 0.42 -1.43 -0.95 0.00 4.64 -1.60 -2.08 113.55 112.55 1jkz h SER 19 Ca 0.41 0.13 -0.00 0.00 -0.47 0.00 0.00 61.79 61.86 1jkz h SER 19 Cb 0.96 0.50 -0.05 0.00 -0.31 0.00 0.00 62.40 63.51 1jkz h SER 19 CO -0.14 -0.58 0.59 0.00 -0.87 0.00 0.00 176.83 175.83 1jkz h ASP 21 N 1.31 -0.10 -0.47 0.00 3.58 -1.20 1.39 116.42 120.93 1jkz h ASP 21 Ca 0.34 0.01 0.08 0.00 0.42 0.00 0.00 57.03 57.88 1jkz h ASP 21 Cb -0.08 0.03 -0.10 0.00 1.72 0.00 0.00 39.33 40.90 1jkz h ASP 21 CO -0.07 -0.04 -0.43 -0.78 -2.88 0.00 0.00 179.24 175.04 1jkz h ASP 22 N -0.06 -1.45 -0.53 2.28 1.82 -1.40 0.20 116.42 117.28 1jkz h ASP 22 Ca -0.00 0.23 0.06 0.00 -0.39 0.00 0.00 57.03 56.92 1jkz h ASP 22 Cb 0.06 0.64 -0.09 0.00 0.68 0.00 0.00 39.33 40.62 1jkz h ASP 22 CO -0.01 -0.35 -0.54 -0.74 -1.61 0.00 0.00 179.24 175.99 1jkz h HIS 23 N -0.29 -1.67 -0.03 0.28 2.76 -1.10 0.55 115.15 115.64 1jkz h HIS 23 Ca 0.15 0.09 0.03 0.00 -2.20 0.00 0.00 60.37 58.45 1jkz h HIS 23 Cb 0.57 0.80 -0.05 0.00 1.55 0.00 0.00 27.41 30.29 1jkz h HIS 23 CO -0.65 -0.44 -0.23 0.00 -1.30 0.00 0.00 177.93 175.30 1jkz h LYS 25 N -0.35 0.64 0.13 0.00 1.57 0.24 0.28 116.57 119.08 1jkz h LYS 25 Ca 0.07 -0.04 -0.29 0.00 -1.87 0.00 0.00 60.65 58.52 1jkz h LYS 25 Cb 0.45 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.61 1jkz h LYS 25 CO -0.23 0.42 -1.39 -0.91 -0.57 0.00 0.00 179.45 176.77 1jkz h ASN 26 N 0.66 0.43 0.00 0.86 2.35 0.47 -3.29 115.58 117.07 1jkz h ASN 26 Ca 0.31 -0.52 -0.09 0.00 -0.55 0.00 0.00 56.30 55.45 1jkz h ASN 26 Cb 0.23 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 1jkz h ASN 26 CO -0.20 1.42 -0.56 0.11 -1.65 0.00 0.00 177.43 176.54 1jkz h LYS 27 N 0.08 0.00 -2.95 0.81 1.79 0.21 -3.43 116.57 113.07 1jkz h LYS 27 Ca -0.19 0.00 -0.61 0.00 -2.18 0.00 0.00 60.65 57.66 1jkz h LYS 27 Cb 2.01 0.00 -0.41 0.00 -1.58 0.00 0.00 32.23 32.25 1jkz h LYS 27 CO 0.19 0.79 -0.69 0.00 -1.08 0.00 0.00 179.45 178.66 1jkz s ALA 28 N -2.37 3.01 0.00 3.86 0.00 0.96 -5.02 121.76 122.20 1jkz s ALA 28 Ca -0.21 -3.30 0.00 0.00 0.00 0.00 0.00 51.96 48.45 1jkz s ALA 28 Cb 0.01 -2.01 0.00 0.00 0.00 0.00 0.00 23.12 21.13 1jkz s ALA 28 CO 0.53 -2.06 0.29 1.58 0.00 0.00 0.00 175.76 176.10 1jkz n HIS 29 N 2.51 0.00 -4.57 0.00 -0.00 -1.20 -4.42 115.22 107.55 1jkz n HIS 29 Ca 0.19 0.00 -0.25 0.00 0.46 0.00 0.00 57.72 58.11 1jkz n HIS 29 Cb 0.37 -0.19 -0.06 0.00 -0.12 0.00 0.00 29.99 30.00 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 1.66 0.00 -0.02 0.27 4.32 -1.25 -5.03 117.00 116.95 1jkz n LEU 30 Ca 0.00 -2.57 -0.12 0.00 -0.02 0.00 0.00 56.01 53.30 1jkz n LEU 30 Cb 0.14 0.41 -0.10 0.00 -1.62 0.00 0.00 43.42 42.26 1jkz n LEU 30 CO 0.14 -0.37 0.42 0.16 -1.22 0.00 0.00 177.39 176.52 1jkz h ILE 31 N 1.29 1.30 -3.79 -0.08 3.07 -1.86 -3.40 117.51 114.03 1jkz h ILE 31 Ca -0.32 -1.62 -0.22 0.00 1.55 0.00 0.00 64.86 64.24 1jkz h ILE 31 Cb 1.02 2.30 -0.05 0.00 -0.27 0.00 0.00 36.82 39.82 1jkz h ILE 31 CO 0.53 0.38 -0.04 -1.20 -1.05 0.00 0.00 178.15 176.77 1jkz n SER 32 N -4.77 -1.62 -3.69 2.16 7.64 -1.26 -4.87 113.62 107.22 1jkz n SER 32 Ca -0.08 -2.85 -0.13 0.00 1.01 0.00 0.00 58.87 56.81 1jkz n SER 32 Cb 0.33 2.91 -0.07 0.00 -1.01 0.00 0.00 64.21 66.36 1jkz n SER 32 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1jkz s GLY 33 N -3.18 -0.26 0.10 0.23 0.00 -1.26 -2.19 107.32 100.77 1jkz s GLY 33 Ca 0.26 0.41 0.05 0.00 0.00 0.00 0.00 44.72 45.45 1jkz s GLY 33 CO 0.19 0.16 -0.14 -0.51 0.00 0.00 0.00 173.10 172.80 1jkz s THR 34 N -1.95 1.23 -0.96 0.90 -4.23 0.30 -3.75 115.64 107.18 1jkz s THR 34 Ca -0.09 -1.58 -0.15 0.00 -1.18 0.00 0.00 61.69 58.69 1jkz s THR 34 Cb -0.02 -1.38 0.19 0.00 1.34 0.00 0.00 72.50 72.63 1jkz s THR 34 CO 0.01 -0.37 1.04 0.00 -0.54 0.00 0.00 174.62 174.77 1jkz s HIS 36 N 1.03 3.30 0.00 0.00 3.76 -0.98 -4.65 115.29 117.75 1jkz s HIS 36 Ca 0.29 1.05 0.00 0.00 -0.15 0.00 0.00 55.06 56.25 1jkz s HIS 36 Cb -0.07 -3.00 0.00 0.00 1.11 0.00 0.00 32.58 30.62 1jkz s HIS 36 CO -0.08 -0.39 0.00 -1.71 -0.85 0.00 0.00 174.74 171.72 1jkz n ASN 37 N 5.94 0.00 -0.87 1.40 2.85 -1.26 -1.21 115.26 122.11 1jkz n ASN 37 Ca 0.04 0.00 -0.04 0.00 -0.11 0.00 0.00 54.58 54.47 1jkz n ASN 37 Cb 0.48 0.00 -0.04 0.00 1.24 0.00 0.00 39.78 41.46 1jkz n ASN 37 CO 0.00 0.00 0.00 0.79 -2.11 0.00 0.00 177.26 175.94 1jkz n TRP 38 N 0.00 0.00 -4.13 1.20 7.02 -1.26 -4.96 117.44 115.30 1jkz n TRP 38 Ca 0.00 -0.34 -0.07 0.00 -1.02 0.00 0.00 57.50 56.07 1jkz n TRP 38 Cb 0.00 0.38 -0.02 0.00 -2.42 0.00 0.00 31.31 29.25 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 0.03 0.81 -3.96 -0.99 5.02 -0.35 -4.17 118.16 114.54 1jkz n LYS 39 Ca -0.17 -0.94 -0.29 0.00 -2.02 0.00 0.00 58.31 54.89 1jkz n LYS 39 Cb 0.67 0.52 -0.17 0.00 -0.02 0.00 0.00 35.03 36.03 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 1.58 3.03 -0.03 0.00 0.40 -0.23 -1.71 117.98 121.02 1jkz s PHE 41 Ca 0.04 -0.17 0.00 0.00 -0.60 0.00 0.00 56.93 56.21 1jkz s PHE 41 Cb -0.13 -1.90 -0.03 0.00 0.51 0.00 0.00 43.02 41.47 1jkz s PHE 41 CO -0.09 0.10 -0.00 0.00 0.70 0.00 0.00 175.22 175.92 1jkz s THR 43 N -1.02 4.10 0.10 0.00 -4.23 -0.93 -0.12 115.64 113.54 1jkz s THR 43 Ca 0.17 -0.27 0.09 0.00 -1.18 0.00 0.00 61.69 60.51 1jkz s THR 43 Cb -0.11 -2.84 -0.04 0.00 1.34 0.00 0.00 72.50 70.85 1jkz s THR 43 CO 0.08 0.44 -0.24 -1.58 -0.54 0.00 0.00 174.62 172.78 1jkz s GLN 44 N 0.78 1.31 0.08 3.99 0.74 0.13 -3.64 119.66 123.06 1jkz s GLN 44 Ca 0.01 -1.21 -0.31 0.00 0.05 0.00 0.00 55.36 53.90 1jkz s GLN 44 Cb -0.14 -1.65 -0.07 0.00 1.10 0.00 0.00 33.01 32.26 1jkz s GLN 44 CO 0.02 0.39 1.33 -0.80 -0.55 0.00 0.00 175.29 175.68 1jkz s ASN 45 N -1.83 6.91 0.00 6.67 0.01 -1.26 -0.68 114.94 124.76 1jkz s ASN 45 Ca 0.10 2.19 0.00 0.00 -0.71 0.00 0.00 52.86 54.44 1jkz s ASN 45 Cb -0.10 -2.58 0.00 0.00 0.41 0.00 0.00 41.25 38.98 1jkz s ASN 45 CO 0.04 -0.61 0.00 0.00 -1.51 0.00 0.00 177.10 175.03