#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 1.36 -0.16 -0.18 -4.23 -1.26 -3.73 115.64 107.44 1jkz s THR 2 Ca 0.00 -2.09 -0.02 0.00 -1.18 0.00 0.00 61.69 58.40 1jkz s THR 2 Cb 0.00 -2.30 -0.01 0.00 1.34 0.00 0.00 72.50 71.52 1jkz s THR 2 CO 0.00 -0.39 -0.09 0.00 -0.54 0.00 0.00 174.62 173.60 1jkz s GLU 4 N 0.66 2.88 -0.01 0.00 2.02 -1.26 0.80 118.70 123.79 1jkz s GLU 4 Ca -0.05 -0.66 -0.01 0.00 0.02 0.00 0.00 54.97 54.27 1jkz s GLU 4 Cb -0.15 -2.52 0.01 0.00 0.10 0.00 0.00 34.13 31.57 1jkz s GLU 4 CO 0.02 0.48 0.02 -1.01 0.02 0.00 0.00 175.26 174.80 1jkz s HIS 5 N -0.34 -0.02 -0.06 1.61 3.76 0.54 -4.92 115.29 115.86 1jkz s HIS 5 Ca 0.04 0.07 -0.25 0.00 -0.15 0.00 0.00 55.06 54.76 1jkz s HIS 5 Cb -0.13 -0.03 -0.03 0.00 1.11 0.00 0.00 32.58 33.50 1jkz s HIS 5 CO 0.02 -0.03 0.79 -1.17 -0.85 0.00 0.00 174.74 173.51 1jkz s LEU 6 N 0.19 4.31 -0.21 0.89 0.20 -1.26 0.32 118.68 123.12 1jkz s LEU 6 Ca -0.02 1.31 -0.22 0.00 0.69 0.00 0.00 54.13 55.90 1jkz s LEU 6 Cb -0.02 -3.23 -0.02 0.00 -0.43 0.00 0.00 46.19 42.48 1jkz s LEU 6 CO -0.01 -0.20 0.69 0.00 -0.29 0.00 0.00 176.35 176.54 1jkz s ALA 7 N 1.06 3.56 -0.73 5.97 0.00 -0.64 -4.95 121.76 126.04 1jkz s ALA 7 Ca 0.41 -0.23 0.21 0.00 0.00 0.00 0.00 51.96 52.35 1jkz s ALA 7 Cb -0.18 -3.06 0.86 0.00 0.00 0.00 0.00 23.12 20.73 1jkz s ALA 7 CO 0.20 -0.66 1.65 -0.25 0.00 0.00 0.00 175.76 176.69 1jkz n ASP 8 N 5.32 0.39 -3.45 0.00 9.92 -1.26 -3.72 116.55 123.75 1jkz n ASP 8 Ca 0.01 0.58 -0.37 0.00 -0.53 0.00 0.00 54.79 54.48 1jkz n ASP 8 Cb 0.49 -0.67 0.00 0.00 -0.64 0.00 0.00 41.12 40.30 1jkz n ASP 8 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 1jkz n THR 9 N -1.92 5.19 -2.78 -3.53 -1.04 -1.26 -4.98 114.28 103.97 1jkz n THR 9 Ca 0.03 -5.87 0.00 0.00 -2.04 0.00 0.00 64.05 56.18 1jkz n THR 9 Cb 0.24 -1.53 0.00 0.00 -1.82 0.00 0.00 70.33 67.22 1jkz n THR 9 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1jkz n TYR 10 N -0.06 -0.96 -1.45 -1.42 9.36 -1.24 -5.02 117.16 116.36 1jkz n TYR 10 Ca 0.42 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.64 1jkz n TYR 10 Cb 0.30 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.01 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 -0.32 3.98 0.00 2.98 1.74 -1.26 -5.14 116.66 118.64 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 1.42 3.86 -0.13 0.00 -1.26 -5.02 105.19 109.06 1jkz n GLY 12 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 0.33 4.73 -0.11 1.61 1.01 -1.26 -4.92 120.40 121.79 1jkz s VAL 13 Ca 0.00 0.77 -0.05 0.00 0.00 0.00 0.00 61.98 62.70 1jkz s VAL 13 Cb 0.00 -3.68 -0.04 0.00 0.00 0.00 0.00 36.38 32.66 1jkz s VAL 13 CO 0.00 -0.40 0.07 0.00 0.00 0.00 0.00 175.10 174.77 1jkz n PHE 15 N 2.22 0.00 -4.28 0.00 3.01 -1.26 -5.02 117.46 112.13 1jkz n PHE 15 Ca -0.19 0.00 -0.20 0.00 1.01 0.00 0.00 57.45 58.07 1jkz n PHE 15 Cb 0.54 0.00 -0.13 0.00 -0.01 0.00 0.00 39.48 39.89 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 -1.92 1.15 0.61 4.37 -4.23 -1.26 -5.03 115.64 109.34 1jkz s THR 16 Ca 0.00 -1.15 0.30 0.00 -1.18 0.00 0.00 61.69 59.66 1jkz s THR 16 Cb 0.00 -1.07 0.30 0.00 1.34 0.00 0.00 72.50 73.07 1jkz s THR 16 CO 0.00 -0.08 1.91 0.78 -0.54 0.00 0.00 174.62 176.69 1jkz h ASN 17 N 4.64 0.00 0.19 3.99 4.21 -1.98 -1.94 115.58 124.69 1jkz h ASN 17 Ca -0.40 0.00 -0.06 0.00 1.21 0.00 0.00 56.30 57.05 1jkz h ASN 17 Cb 1.18 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.37 1jkz h ASN 17 CO 0.42 0.00 -0.25 0.00 -1.29 0.00 0.00 177.43 176.31 1jkz h ALA 18 N 1.39 1.48 0.10 -0.83 0.00 -1.95 -3.16 119.26 116.28 1jkz h ALA 18 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1jkz h ALA 18 Cb 0.60 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1jkz h ALA 18 CO 0.00 0.38 -0.24 0.66 0.00 0.00 0.00 179.25 180.06 1jkz h SER 19 N 0.10 -0.69 -0.73 0.00 4.64 -1.71 -1.72 113.55 113.43 1jkz h SER 19 Ca 0.02 0.07 0.10 0.00 -0.47 0.00 0.00 61.79 61.50 1jkz h SER 19 Cb 0.49 0.25 -0.07 0.00 -0.31 0.00 0.00 62.40 62.76 1jkz h SER 19 CO 0.03 -0.26 0.36 0.00 -0.87 0.00 0.00 176.83 176.10 1jkz h ASP 21 N 0.61 -0.16 -0.43 0.00 1.82 -1.17 1.70 116.42 118.79 1jkz h ASP 21 Ca 0.36 0.01 0.08 0.00 -0.39 0.00 0.00 57.03 57.09 1jkz h ASP 21 Cb 0.40 0.05 -0.09 0.00 0.68 0.00 0.00 39.33 40.37 1jkz h ASP 21 CO -0.28 -0.07 -0.39 -0.78 -1.61 0.00 0.00 179.24 176.11 1jkz h ASP 22 N -0.10 -1.31 -0.51 2.28 1.82 -1.26 0.59 116.42 117.94 1jkz h ASP 22 Ca -0.01 0.21 0.06 0.00 -0.39 0.00 0.00 57.03 56.91 1jkz h ASP 22 Cb 0.09 0.59 -0.09 0.00 0.68 0.00 0.00 39.33 40.60 1jkz h ASP 22 CO -0.01 -0.35 -0.53 -0.74 -1.61 0.00 0.00 179.24 176.00 1jkz h HIS 23 N -0.28 -1.63 0.03 0.28 2.76 -0.74 0.69 115.15 116.27 1jkz h HIS 23 Ca 0.16 0.09 0.02 0.00 -2.20 0.00 0.00 60.37 58.44 1jkz h HIS 23 Cb 0.57 0.78 -0.03 0.00 1.55 0.00 0.00 27.41 30.28 1jkz h HIS 23 CO -0.61 -0.46 -0.15 0.00 -1.30 0.00 0.00 177.93 175.41 1jkz h LYS 25 N -0.27 1.01 0.11 0.00 1.57 0.11 0.28 116.57 119.38 1jkz h LYS 25 Ca 0.04 -0.06 -0.32 0.00 -1.87 0.00 0.00 60.65 58.44 1jkz h LYS 25 Cb 0.32 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 1jkz h LYS 25 CO -0.12 0.67 -1.64 -0.91 -0.57 0.00 0.00 179.45 176.88 1jkz h ASN 26 N 1.04 0.37 0.00 0.86 2.35 0.66 -3.27 115.58 117.59 1jkz h ASN 26 Ca 0.39 -0.57 -0.01 0.00 -0.55 0.00 0.00 56.30 55.55 1jkz h ASN 26 Cb 0.15 -0.12 -0.00 0.00 0.05 0.00 0.00 38.32 38.40 1jkz h ASN 26 CO -0.17 1.49 -0.08 0.11 -1.65 0.00 0.00 177.43 177.13 1jkz h LYS 27 N 0.06 0.00 -2.82 0.81 1.79 0.23 -3.42 116.57 113.22 1jkz h LYS 27 Ca -0.28 0.00 -0.61 0.00 -2.18 0.00 0.00 60.65 57.58 1jkz h LYS 27 Cb 2.02 0.00 -0.40 0.00 -1.58 0.00 0.00 32.23 32.27 1jkz h LYS 27 CO 0.14 0.68 -0.75 0.00 -1.08 0.00 0.00 179.45 178.45 1jkz s ALA 28 N -2.34 2.61 0.00 3.86 0.00 0.98 -5.03 121.76 121.85 1jkz s ALA 28 Ca -0.14 -3.08 0.00 0.00 0.00 0.00 0.00 51.96 48.74 1jkz s ALA 28 Cb -0.02 -1.91 0.00 0.00 0.00 0.00 0.00 23.12 21.19 1jkz s ALA 28 CO 0.47 -2.05 0.29 1.58 0.00 0.00 0.00 175.76 176.05 1jkz n HIS 29 N 2.64 0.00 -4.73 0.00 -0.00 -1.18 -4.44 115.22 107.52 1jkz n HIS 29 Ca 0.20 0.00 -0.32 0.00 0.46 0.00 0.00 57.72 58.06 1jkz n HIS 29 Cb 0.39 -0.17 -0.08 0.00 -0.12 0.00 0.00 29.99 30.02 1jkz n HIS 29 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 1jkz s LEU 30 N 0.00 2.23 -0.04 0.27 1.02 -1.25 -5.02 118.68 115.90 1jkz s LEU 30 Ca 0.00 -1.67 -0.23 0.00 0.02 0.00 0.00 54.13 52.24 1jkz s LEU 30 Cb 0.00 -0.64 -0.23 0.00 0.02 0.00 0.00 46.19 45.34 1jkz s LEU 30 CO 0.00 -0.88 1.05 0.16 0.02 0.00 0.00 176.35 176.70 1jkz h ILE 31 N 1.39 1.52 -2.94 -0.59 3.07 -1.87 -3.40 117.51 114.69 1jkz h ILE 31 Ca -0.43 -1.93 0.04 0.00 1.55 0.00 0.00 64.86 64.09 1jkz h ILE 31 Cb 1.31 2.70 -0.08 0.00 -0.27 0.00 0.00 36.82 40.48 1jkz h ILE 31 CO 0.71 0.54 0.24 -0.94 -1.05 0.00 0.00 178.15 177.66 1jkz s SER 32 N -6.37 -0.39 -0.19 2.16 1.04 -1.26 -4.93 113.70 103.76 1jkz s SER 32 Ca -0.15 -0.33 -0.21 0.00 0.48 0.00 0.00 55.95 55.74 1jkz s SER 32 Cb 0.01 0.65 0.06 0.00 0.10 0.00 0.00 66.02 66.84 1jkz s SER 32 CO 0.75 -1.14 0.57 -0.83 0.98 0.00 0.00 173.24 173.57 1jkz s GLY 33 N -2.84 -0.43 0.25 7.32 0.00 -1.26 -1.53 107.32 108.84 1jkz s GLY 33 Ca 0.07 1.52 0.08 0.00 0.00 0.00 0.00 44.72 46.39 1jkz s GLY 33 CO -0.02 1.29 -0.12 -1.59 0.00 0.00 0.00 173.10 172.66 1jkz s THR 34 N 0.07 1.86 -0.13 0.90 2.01 -0.84 -1.98 115.64 117.52 1jkz s THR 34 Ca -0.02 -2.21 -0.27 0.00 0.31 0.00 0.00 61.69 59.50 1jkz s THR 34 Cb -0.04 -2.26 -0.02 0.00 0.01 0.00 0.00 72.50 70.20 1jkz s THR 34 CO 0.02 -0.44 0.89 0.00 -0.69 0.00 0.00 174.62 174.40 1jkz s HIS 36 N 1.94 1.57 -1.33 0.00 3.76 0.17 -4.74 115.29 116.67 1jkz s HIS 36 Ca 0.42 -0.73 -0.05 0.00 -0.15 0.00 0.00 55.06 54.55 1jkz s HIS 36 Cb -0.17 -1.22 0.03 0.00 1.11 0.00 0.00 32.58 32.32 1jkz s HIS 36 CO 0.15 -0.45 0.37 0.09 -0.85 0.00 0.00 174.74 174.06 1jkz n ASN 37 N 4.49 -4.52 0.00 1.40 3.02 -1.26 0.74 115.26 119.13 1jkz n ASN 37 Ca -0.17 -0.20 0.00 0.00 -0.03 0.00 0.00 54.58 54.18 1jkz n ASN 37 Cb 0.51 -3.73 0.00 0.00 -0.61 0.00 0.00 39.78 35.94 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 -3.96 0.00 -3.81 3.10 7.02 -1.26 -5.01 117.44 113.51 1jkz n TRP 38 Ca -0.09 0.00 -0.25 0.00 -1.02 0.00 0.00 57.50 56.15 1jkz n TRP 38 Cb 0.59 -0.38 -0.02 0.00 -2.42 0.00 0.00 31.31 29.08 1jkz n TRP 38 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 1jkz s LYS 39 N -0.34 2.31 -0.09 -0.99 1.02 0.23 -4.36 119.74 117.51 1jkz s LYS 39 Ca 0.00 -1.89 0.03 0.00 0.02 0.00 0.00 55.97 54.13 1jkz s LYS 39 Cb 0.00 -2.16 -0.01 0.00 -0.52 0.00 0.00 37.83 35.14 1jkz s LYS 39 CO 0.00 -0.49 -0.21 0.00 -0.92 0.00 0.00 175.35 173.73 1jkz s PHE 41 N 0.14 2.59 -0.10 0.00 0.40 -0.78 -1.62 117.98 118.62 1jkz s PHE 41 Ca -0.11 -0.96 -0.02 0.00 -0.60 0.00 0.00 56.93 55.25 1jkz s PHE 41 Cb -0.16 -1.72 -0.03 0.00 0.51 0.00 0.00 43.02 41.62 1jkz s PHE 41 CO 0.06 -0.37 -0.02 0.00 0.70 0.00 0.00 175.22 175.60 1jkz s THR 43 N -0.61 4.16 0.01 0.00 -1.32 -0.58 -0.34 115.64 116.97 1jkz s THR 43 Ca 0.10 -0.28 0.04 0.00 -1.21 0.00 0.00 61.69 60.34 1jkz s THR 43 Cb -0.12 -2.80 -0.01 0.00 -1.51 0.00 0.00 72.50 68.06 1jkz s THR 43 CO 0.02 0.53 -0.12 -1.58 -2.21 0.00 0.00 174.62 171.27 1jkz s GLN 44 N -0.14 0.88 0.19 7.08 0.74 0.24 -3.83 119.66 124.81 1jkz s GLN 44 Ca 0.04 -0.55 -0.31 0.00 0.05 0.00 0.00 55.36 54.60 1jkz s GLN 44 Cb -0.13 -0.85 -0.10 0.00 1.10 0.00 0.00 33.01 33.03 1jkz s GLN 44 CO 0.02 0.22 1.48 -0.80 -0.55 0.00 0.00 175.29 175.66 1jkz s ASN 45 N -0.66 6.66 0.00 6.67 0.01 -1.26 0.29 114.94 126.66 1jkz s ASN 45 Ca 0.02 2.58 0.00 0.00 -0.71 0.00 0.00 52.86 54.76 1jkz s ASN 45 Cb -0.06 -2.60 0.00 0.00 0.41 0.00 0.00 41.25 39.00 1jkz s ASN 45 CO 0.00 -0.74 0.00 0.00 -1.51 0.00 0.00 177.10 174.86