#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 0.02 -0.11 -0.18 -4.23 -1.24 -4.08 115.64 105.82 1jkz s THR 2 Ca 0.00 -0.20 -0.00 0.00 -1.18 0.00 0.00 61.69 60.30 1jkz s THR 2 Cb 0.00 -0.94 -0.02 0.00 1.34 0.00 0.00 72.50 72.88 1jkz s THR 2 CO 0.00 -0.11 -0.09 0.00 -0.54 0.00 0.00 174.62 173.88 1jkz s GLU 4 N -0.15 3.56 -0.02 0.00 1.03 -1.26 0.50 118.70 122.37 1jkz s GLU 4 Ca 0.01 -0.56 0.06 0.00 0.03 0.00 0.00 54.97 54.51 1jkz s GLU 4 Cb -0.13 -2.96 -0.01 0.00 -0.80 0.00 0.00 34.13 30.22 1jkz s GLU 4 CO 0.03 0.07 -0.19 -1.01 -1.33 0.00 0.00 175.26 172.83 1jkz s HIS 5 N 0.82 1.73 -0.12 4.83 3.76 0.24 -4.88 115.29 121.67 1jkz s HIS 5 Ca -0.01 -0.33 -0.20 0.00 -0.15 0.00 0.00 55.06 54.37 1jkz s HIS 5 Cb -0.14 -1.12 -0.04 0.00 1.11 0.00 0.00 32.58 32.39 1jkz s HIS 5 CO 0.02 -0.03 0.55 -1.17 -0.85 0.00 0.00 174.74 173.25 1jkz s LEU 6 N -0.44 4.27 -0.01 0.89 2.96 -1.26 0.12 118.68 125.21 1jkz s LEU 6 Ca 0.07 0.90 -0.21 0.00 -0.22 0.00 0.00 54.13 54.66 1jkz s LEU 6 Cb -0.08 -2.81 -0.05 0.00 0.50 0.00 0.00 46.19 43.76 1jkz s LEU 6 CO -0.01 -0.06 0.63 0.00 -1.32 0.00 0.00 176.35 175.58 1jkz s ALA 7 N 0.85 3.45 -0.65 5.97 0.00 -0.78 -4.98 121.76 125.62 1jkz s ALA 7 Ca 0.29 0.07 0.25 0.00 0.00 0.00 0.00 51.96 52.56 1jkz s ALA 7 Cb -0.16 -2.80 0.57 0.00 0.00 0.00 0.00 23.12 20.73 1jkz s ALA 7 CO 0.12 0.11 1.56 -0.44 0.00 0.00 0.00 175.76 177.12 1jkz h ASP 8 N 5.82 0.00 -2.61 0.00 3.32 -1.97 -3.38 116.42 117.60 1jkz h ASP 8 Ca -0.44 -0.08 -0.74 0.00 0.02 0.00 0.00 57.03 55.79 1jkz h ASP 8 Cb 1.20 0.00 -0.33 0.00 0.22 0.00 0.00 39.33 40.42 1jkz h ASP 8 CO 0.71 0.04 0.32 0.35 -1.72 0.00 0.00 179.24 178.94 1jkz n THR 9 N -2.29 4.41 -3.42 0.35 -2.24 -1.26 -5.01 114.28 104.81 1jkz n THR 9 Ca 0.04 -5.72 -0.02 0.00 -2.27 0.00 0.00 64.05 56.08 1jkz n THR 9 Cb 0.45 -2.01 0.00 0.00 -2.10 0.00 0.00 70.33 66.67 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 0.98 -1.74 -1.19 4.78 9.36 -1.26 -5.03 117.16 123.05 1jkz n TYR 10 Ca 0.29 -0.22 -0.03 0.00 3.32 0.00 0.00 57.90 61.26 1jkz n TYR 10 Cb 0.35 -0.04 0.24 0.00 -0.63 0.00 0.00 39.34 39.26 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 -0.73 2.68 0.00 2.98 1.74 -1.26 -5.06 116.66 117.01 1jkz n ARG 11 Ca 0.00 -3.04 0.00 0.00 -0.77 0.00 0.00 57.85 54.04 1jkz n ARG 11 Cb 0.06 -1.97 0.00 0.00 -1.02 0.00 0.00 32.46 29.53 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 -0.71 0.98 3.83 -0.13 0.00 -1.26 -4.96 105.19 102.94 1jkz n GLY 12 Ca 0.35 -1.04 -0.33 0.00 0.00 0.00 0.00 46.02 44.99 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 4.56 -0.19 1.61 1.01 -1.26 -4.45 120.40 121.67 1jkz s VAL 13 Ca 0.00 1.18 -0.03 0.00 0.00 0.00 0.00 61.98 63.13 1jkz s VAL 13 Cb 0.00 -3.64 -0.01 0.00 0.00 0.00 0.00 36.38 32.72 1jkz s VAL 13 CO 0.00 -0.18 -0.05 0.00 0.00 0.00 0.00 175.10 174.86 1jkz n PHE 15 N 4.32 0.00 -3.46 0.00 3.01 -1.26 -4.76 117.46 115.32 1jkz n PHE 15 Ca -0.18 0.00 -0.34 0.00 1.01 0.00 0.00 57.45 57.94 1jkz n PHE 15 Cb 0.51 -0.19 -0.05 0.00 -0.01 0.00 0.00 39.48 39.74 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 -2.17 4.96 0.29 4.37 -4.23 -1.26 -4.91 115.64 112.69 1jkz s THR 16 Ca -0.11 0.58 0.03 0.00 -1.18 0.00 0.00 61.69 61.01 1jkz s THR 16 Cb 0.02 -3.67 0.29 0.00 1.34 0.00 0.00 72.50 70.47 1jkz s THR 16 CO 0.16 0.17 1.82 0.78 -0.54 0.00 0.00 174.62 177.01 1jkz h ASN 17 N 3.31 0.87 -0.70 3.99 2.35 -1.96 0.30 115.58 123.74 1jkz h ASN 17 Ca -0.48 0.06 0.13 0.00 -0.55 0.00 0.00 56.30 55.46 1jkz h ASN 17 Cb 1.19 -0.10 -0.04 0.00 0.05 0.00 0.00 38.32 39.41 1jkz h ASN 17 CO 0.67 0.41 0.47 0.00 -1.65 0.00 0.00 177.43 177.33 1jkz h ALA 18 N 1.58 2.07 -0.73 -0.83 0.00 -1.94 -1.00 119.26 118.40 1jkz h ALA 18 Ca 0.53 -0.00 0.09 0.00 0.00 0.00 0.00 54.91 55.52 1jkz h ALA 18 Cb 0.65 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.30 1jkz h ALA 18 CO -0.30 -0.24 0.39 0.77 0.00 0.00 0.00 179.25 179.86 1jkz h SER 19 N 0.42 0.53 0.20 0.00 0.02 -1.31 -2.29 113.55 111.12 1jkz h SER 19 Ca 0.34 0.05 -0.35 0.00 -0.84 0.00 0.00 61.79 60.99 1jkz h SER 19 Cb 0.72 -0.04 0.01 0.00 0.14 0.00 0.00 62.40 63.23 1jkz h SER 19 CO -0.10 0.31 -1.77 0.00 -1.14 0.00 0.00 176.83 174.13 1jkz h ASP 21 N 0.10 -0.20 -0.45 0.00 3.58 -1.05 1.29 116.42 119.69 1jkz h ASP 21 Ca -0.35 0.02 0.06 0.00 0.42 0.00 0.00 57.03 57.19 1jkz h ASP 21 Cb 2.09 0.08 -0.09 0.00 1.72 0.00 0.00 39.33 43.13 1jkz h ASP 21 CO 0.17 -0.07 -0.49 -0.78 -2.88 0.00 0.00 179.24 175.19 1jkz h ASP 22 N -0.09 -1.66 -0.73 2.28 1.82 -1.63 0.48 116.42 116.89 1jkz h ASP 22 Ca 0.00 0.24 0.11 0.00 -0.39 0.00 0.00 57.03 56.99 1jkz h ASP 22 Cb 0.09 0.71 -0.12 0.00 0.68 0.00 0.00 39.33 40.69 1jkz h ASP 22 CO -0.04 -0.38 -0.41 -0.74 -1.61 0.00 0.00 179.24 176.06 1jkz h HIS 23 N -0.34 -1.18 0.46 0.28 2.76 -1.52 0.79 115.15 116.40 1jkz h HIS 23 Ca 0.12 0.09 -0.01 0.00 -2.20 0.00 0.00 60.37 58.37 1jkz h HIS 23 Cb 0.59 0.62 -0.02 0.00 1.55 0.00 0.00 27.41 30.15 1jkz h HIS 23 CO -0.70 -0.40 -0.40 0.00 -1.30 0.00 0.00 177.93 175.13 1jkz h LYS 25 N -0.87 0.54 0.09 0.00 1.57 0.13 0.37 116.57 118.40 1jkz h LYS 25 Ca -0.05 -0.03 -0.28 0.00 -1.87 0.00 0.00 60.65 58.42 1jkz h LYS 25 Cb 0.75 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.93 1jkz h LYS 25 CO -0.03 0.36 -1.42 -0.91 -0.57 0.00 0.00 179.45 176.87 1jkz h ASN 26 N 0.55 0.29 0.00 0.86 2.35 0.76 -3.32 115.58 117.07 1jkz h ASN 26 Ca 0.41 -0.38 -0.06 0.00 -0.55 0.00 0.00 56.30 55.72 1jkz h ASN 26 Cb 0.54 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.81 1jkz h ASN 26 CO -0.34 1.31 -0.50 0.11 -1.65 0.00 0.00 177.43 176.36 1jkz h LYS 27 N 0.05 0.00 -3.01 0.81 1.79 0.20 -3.44 116.57 112.98 1jkz h LYS 27 Ca -0.19 0.00 -0.62 0.00 -2.18 0.00 0.00 60.65 57.66 1jkz h LYS 27 Cb 1.97 0.00 -0.41 0.00 -1.58 0.00 0.00 32.23 32.21 1jkz h LYS 27 CO 0.15 0.37 -0.68 0.00 -1.08 0.00 0.00 179.45 178.22 1jkz s ALA 28 N -2.53 3.02 0.00 3.86 0.00 0.13 -5.02 121.76 121.22 1jkz s ALA 28 Ca -0.15 -3.28 0.00 0.00 0.00 0.00 0.00 51.96 48.53 1jkz s ALA 28 Cb 0.02 -2.02 0.00 0.00 0.00 0.00 0.00 23.12 21.12 1jkz s ALA 28 CO 0.32 -2.06 0.30 1.58 0.00 0.00 0.00 175.76 175.90 1jkz n HIS 29 N 2.62 0.00 -4.33 0.00 -0.00 -1.18 -4.44 115.22 107.88 1jkz n HIS 29 Ca 0.16 0.00 -0.22 0.00 0.46 0.00 0.00 57.72 58.13 1jkz n HIS 29 Cb 0.36 -0.21 -0.03 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 1.85 0.00 0.01 0.27 4.32 -1.26 -5.03 117.00 117.16 1jkz n LEU 30 Ca 0.00 -2.15 -0.18 0.00 -0.02 0.00 0.00 56.01 53.66 1jkz n LEU 30 Cb 0.15 0.18 -0.14 0.00 -1.62 0.00 0.00 43.42 41.99 1jkz n LEU 30 CO 0.15 -0.36 0.18 0.16 -1.22 0.00 0.00 177.39 176.31 1jkz h ILE 31 N 1.04 1.60 -2.65 -0.08 3.07 -1.86 -3.41 117.51 115.21 1jkz h ILE 31 Ca -0.28 -2.42 0.11 0.00 1.55 0.00 0.00 64.86 63.82 1jkz h ILE 31 Cb 0.88 3.20 -0.08 0.00 -0.27 0.00 0.00 36.82 40.56 1jkz h ILE 31 CO 0.46 0.67 0.36 -0.94 -1.05 0.00 0.00 178.15 177.65 1jkz s SER 32 N -6.69 -0.28 0.01 2.16 1.04 -1.26 -4.95 113.70 103.73 1jkz s SER 32 Ca -0.15 -0.37 -0.23 0.00 0.48 0.00 0.00 55.95 55.67 1jkz s SER 32 Cb -0.00 0.58 0.05 0.00 0.10 0.00 0.00 66.02 66.75 1jkz s SER 32 CO 0.78 -1.03 0.53 -0.83 0.98 0.00 0.00 173.24 173.67 1jkz s GLY 33 N -2.85 -0.42 0.34 7.32 0.00 -1.26 -1.69 107.32 108.75 1jkz s GLY 33 Ca 0.09 0.74 0.03 0.00 0.00 0.00 0.00 44.72 45.59 1jkz s GLY 33 CO 0.01 0.44 0.10 -1.08 0.00 0.00 0.00 173.10 172.57 1jkz s THR 34 N -1.96 0.76 -0.23 0.90 -1.32 -1.15 -3.20 115.64 109.46 1jkz s THR 34 Ca -0.08 -2.00 -0.27 0.00 -1.21 0.00 0.00 61.69 58.14 1jkz s THR 34 Cb -0.01 -2.57 -0.00 0.00 -1.51 0.00 0.00 72.50 68.41 1jkz s THR 34 CO 0.02 0.00 0.92 0.00 -2.21 0.00 0.00 174.62 173.35 1jkz n HIS 36 N 6.02 0.00 -1.33 0.00 8.25 -0.23 -4.93 115.22 123.00 1jkz n HIS 36 Ca 0.08 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.27 1jkz n HIS 36 Cb 0.47 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.47 1jkz n HIS 36 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1jkz n ASN 37 N 0.00 1.60 -2.27 0.41 3.02 -1.26 -3.35 115.26 113.41 1jkz n ASN 37 Ca 0.00 -2.54 -0.20 0.00 -0.03 0.00 0.00 54.58 51.81 1jkz n ASN 37 Cb 0.00 -1.35 -0.02 0.00 -0.61 0.00 0.00 39.78 37.79 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 15.22 -0.87 -4.20 3.10 5.03 -1.26 -4.96 117.44 129.50 1jkz n TRP 38 Ca 0.44 0.00 -0.14 0.00 3.03 0.00 0.00 57.50 60.83 1jkz n TRP 38 Cb 0.45 -3.81 -0.09 0.00 -1.03 0.00 0.00 31.31 26.83 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 -4.83 1.43 -0.20 -0.99 1.02 -1.21 -4.27 119.74 110.68 1jkz s LYS 39 Ca 0.00 -1.72 0.01 0.00 0.02 0.00 0.00 55.97 54.28 1jkz s LYS 39 Cb 0.00 0.31 0.04 0.00 -0.52 0.00 0.00 37.83 37.66 1jkz s LYS 39 CO 0.00 -0.51 -0.14 0.00 -0.92 0.00 0.00 175.35 173.78 1jkz s PHE 41 N 1.29 2.95 0.04 0.00 0.40 -1.22 -1.86 117.98 119.58 1jkz s PHE 41 Ca -0.00 -0.39 0.03 0.00 -0.60 0.00 0.00 56.93 55.96 1jkz s PHE 41 Cb -0.16 -1.91 -0.04 0.00 0.51 0.00 0.00 43.02 41.43 1jkz s PHE 41 CO -0.09 -0.07 0.01 0.00 0.70 0.00 0.00 175.22 175.77 1jkz s THR 43 N -1.19 4.23 0.06 0.00 -4.23 -0.68 0.83 115.64 114.66 1jkz s THR 43 Ca 0.23 -0.26 0.05 0.00 -1.18 0.00 0.00 61.69 60.53 1jkz s THR 43 Cb -0.12 -2.81 -0.03 0.00 1.34 0.00 0.00 72.50 70.89 1jkz s THR 43 CO 0.14 0.56 -0.15 -1.58 -0.54 0.00 0.00 174.62 173.05 1jkz s GLN 44 N -0.44 0.90 -0.03 3.99 0.74 0.18 -3.67 119.66 121.34 1jkz s GLN 44 Ca 0.08 -0.91 -0.30 0.00 0.05 0.00 0.00 55.36 54.28 1jkz s GLN 44 Cb -0.12 -0.94 -0.06 0.00 1.10 0.00 0.00 33.01 32.99 1jkz s GLN 44 CO 0.02 0.22 1.68 -0.80 -0.55 0.00 0.00 175.29 175.86 1jkz s ASN 45 N -1.53 6.64 0.00 6.67 0.01 -1.26 -0.83 114.94 124.64 1jkz s ASN 45 Ca 0.00 2.31 0.00 0.00 -0.71 0.00 0.00 52.86 54.46 1jkz s ASN 45 Cb -0.09 -2.54 0.00 0.00 0.41 0.00 0.00 41.25 39.03 1jkz s ASN 45 CO 0.02 -0.92 0.00 0.00 -1.51 0.00 0.00 177.10 174.69