#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 1.59 0.01 -0.18 -4.23 -1.26 -3.65 115.64 107.92 1jkz s THR 2 Ca 0.00 -0.95 0.06 0.00 -1.18 0.00 0.00 61.69 59.62 1jkz s THR 2 Cb 0.00 -1.34 -0.03 0.00 1.34 0.00 0.00 72.50 72.47 1jkz s THR 2 CO 0.00 0.37 -0.18 0.00 -0.54 0.00 0.00 174.62 174.27 1jkz s GLU 4 N -1.20 2.88 0.02 0.00 -1.05 -1.26 -0.14 118.70 117.94 1jkz s GLU 4 Ca 0.14 -0.50 -0.04 0.00 -0.15 0.00 0.00 54.97 54.42 1jkz s GLU 4 Cb -0.10 -2.72 -0.01 0.00 -0.44 0.00 0.00 34.13 30.85 1jkz s GLU 4 CO 0.04 0.67 0.06 -1.01 0.95 0.00 0.00 175.26 175.96 1jkz s HIS 5 N -0.96 0.17 -0.03 4.83 3.76 0.22 -4.90 115.29 118.38 1jkz s HIS 5 Ca 0.16 -0.38 -0.25 0.00 -0.15 0.00 0.00 55.06 54.44 1jkz s HIS 5 Cb -0.11 -0.13 -0.04 0.00 1.11 0.00 0.00 32.58 33.41 1jkz s HIS 5 CO 0.05 -0.26 0.75 -1.17 -0.85 0.00 0.00 174.74 173.26 1jkz s LEU 6 N -1.58 4.36 -0.20 0.89 0.20 -1.25 -0.46 118.68 120.63 1jkz s LEU 6 Ca -0.13 1.31 -0.20 0.00 0.69 0.00 0.00 54.13 55.80 1jkz s LEU 6 Cb -0.07 -3.18 -0.03 0.00 -0.43 0.00 0.00 46.19 42.48 1jkz s LEU 6 CO -0.01 -0.10 0.59 0.00 -0.29 0.00 0.00 176.35 176.54 1jkz s ALA 7 N 0.62 3.54 -1.48 5.97 0.00 0.06 -4.95 121.76 125.52 1jkz s ALA 7 Ca 0.40 -0.33 0.28 0.00 0.00 0.00 0.00 51.96 52.31 1jkz s ALA 7 Cb -0.19 -2.91 1.42 0.00 0.00 0.00 0.00 23.12 21.44 1jkz s ALA 7 CO 0.21 -0.52 1.96 -0.25 0.00 0.00 0.00 175.76 177.15 1jkz n ASP 8 N 4.97 0.00 -3.02 0.00 8.00 -1.26 -3.85 116.55 121.40 1jkz n ASP 8 Ca -0.03 -0.17 -0.35 0.00 0.71 0.00 0.00 54.79 54.95 1jkz n ASP 8 Cb 0.50 -0.26 0.01 0.00 -0.02 0.00 0.00 41.12 41.35 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 -1.26 3.91 -2.72 -3.53 -2.24 -1.26 -4.99 114.28 102.18 1jkz n THR 9 Ca 0.14 -5.14 0.00 0.00 -2.27 0.00 0.00 64.05 56.78 1jkz n THR 9 Cb 0.21 -1.36 0.00 0.00 -2.10 0.00 0.00 70.33 67.08 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 -0.34 -0.79 -1.37 4.78 9.36 -1.25 -4.97 117.16 122.57 1jkz n TYR 10 Ca 0.44 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.66 1jkz n TYR 10 Cb 0.36 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.07 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 -5.14 116.66 118.68 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 0.88 3.82 -0.13 0.00 -1.26 -5.02 105.19 108.48 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 0.64 4.78 0.07 1.61 1.01 -1.26 -4.84 120.40 122.40 1jkz s VAL 13 Ca 0.00 1.07 0.01 0.00 0.00 0.00 0.00 61.98 63.06 1jkz s VAL 13 Cb 0.00 -3.83 -0.04 0.00 0.00 0.00 0.00 36.38 32.51 1jkz s VAL 13 CO 0.00 0.42 0.16 0.00 0.00 0.00 0.00 175.10 175.68 1jkz n PHE 15 N 0.36 0.00 -4.73 0.00 3.01 -1.26 -4.93 117.46 109.91 1jkz n PHE 15 Ca -0.06 0.00 -0.26 0.00 1.01 0.00 0.00 57.45 58.13 1jkz n PHE 15 Cb 0.51 0.14 -0.14 0.00 -0.01 0.00 0.00 39.48 39.97 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 -2.00 1.73 0.49 4.37 -4.23 -1.26 -5.02 115.64 109.73 1jkz s THR 16 Ca 0.00 -1.19 0.38 0.00 -1.18 0.00 0.00 61.69 59.70 1jkz s THR 16 Cb 0.00 -1.50 0.58 0.00 1.34 0.00 0.00 72.50 72.92 1jkz s THR 16 CO 0.00 0.26 1.62 0.78 -0.54 0.00 0.00 174.62 176.74 1jkz h ASN 17 N 4.95 0.14 -0.23 3.99 4.21 -1.97 0.34 115.58 126.99 1jkz h ASN 17 Ca -0.43 0.08 0.07 0.00 1.21 0.00 0.00 56.30 57.23 1jkz h ASN 17 Cb 1.15 0.07 -0.01 0.00 -1.12 0.00 0.00 38.32 38.42 1jkz h ASN 17 CO 0.44 -0.11 0.22 0.00 -1.29 0.00 0.00 177.43 176.69 1jkz h ALA 18 N 1.38 1.97 0.03 -0.83 0.00 -1.95 -2.86 119.26 117.00 1jkz h ALA 18 Ca 0.84 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.76 1jkz h ALA 18 Cb 2.95 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 20.73 1jkz h ALA 18 CO -0.24 -0.34 -0.18 0.77 0.00 0.00 0.00 179.25 179.26 1jkz h SER 19 N 0.00 -0.52 -0.25 0.00 0.02 -0.67 -1.41 113.55 110.72 1jkz h SER 19 Ca 0.11 0.07 -0.12 0.00 -0.84 0.00 0.00 61.79 61.01 1jkz h SER 19 Cb 0.55 0.21 -0.00 0.00 0.14 0.00 0.00 62.40 63.30 1jkz h SER 19 CO -0.00 -0.25 -0.32 0.00 -1.14 0.00 0.00 176.83 175.11 1jkz h ASP 21 N 0.38 -0.90 -0.18 0.00 3.58 -1.35 0.59 116.42 118.55 1jkz h ASP 21 Ca 0.03 0.08 0.05 0.00 0.42 0.00 0.00 57.03 57.62 1jkz h ASP 21 Cb 0.90 0.31 -0.06 0.00 1.72 0.00 0.00 39.33 42.20 1jkz h ASP 21 CO 0.08 -0.38 -0.25 -0.78 -2.88 0.00 0.00 179.24 175.03 1jkz h ASP 22 N -0.55 -0.80 -0.24 2.28 3.58 -1.36 0.27 116.42 119.60 1jkz h ASP 22 Ca -0.02 0.13 0.03 0.00 0.42 0.00 0.00 57.03 57.58 1jkz h ASP 22 Cb 0.50 0.36 -0.04 0.00 1.72 0.00 0.00 39.33 41.87 1jkz h ASP 22 CO -0.10 -0.30 -0.25 -0.74 -2.88 0.00 0.00 179.24 174.98 1jkz h HIS 23 N -0.29 -0.77 -0.47 0.28 2.76 -1.10 0.42 115.15 115.98 1jkz h HIS 23 Ca 0.12 0.04 0.05 0.00 -2.20 0.00 0.00 60.37 58.38 1jkz h HIS 23 Cb 0.47 0.37 -0.05 0.00 1.55 0.00 0.00 27.41 29.75 1jkz h HIS 23 CO -0.38 -0.20 0.20 0.00 -1.30 0.00 0.00 177.93 176.25 1jkz h LYS 25 N 0.40 0.73 0.12 0.00 1.57 0.38 0.24 116.57 120.02 1jkz h LYS 25 Ca 0.21 -0.04 -0.37 0.00 -1.87 0.00 0.00 60.65 58.58 1jkz h LYS 25 Cb 0.17 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 1jkz h LYS 25 CO -0.18 0.48 -2.00 0.09 -0.57 0.00 0.00 179.45 177.27 1jkz n ASN 26 N -4.51 2.13 -0.01 0.86 3.02 0.14 -3.81 115.26 113.08 1jkz n ASN 26 Ca 0.14 0.21 -0.08 0.00 -0.03 0.00 0.00 54.58 54.81 1jkz n ASN 26 Cb 0.32 -0.86 -0.07 0.00 -0.61 0.00 0.00 39.78 38.57 1jkz n ASN 26 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 1jkz h LYS 27 N 0.07 -0.10 -2.71 3.52 1.79 0.23 -3.42 116.57 115.95 1jkz h LYS 27 Ca -0.43 0.01 -0.60 0.00 -2.18 0.00 0.00 60.65 57.45 1jkz h LYS 27 Cb 2.03 0.02 -0.39 0.00 -1.58 0.00 0.00 32.23 32.31 1jkz h LYS 27 CO 0.09 0.34 -0.82 0.00 -1.08 0.00 0.00 179.45 177.97 1jkz s ALA 28 N -2.93 1.80 0.00 3.86 0.00 0.81 -5.04 121.76 120.26 1jkz s ALA 28 Ca -0.10 -2.51 0.00 0.00 0.00 0.00 0.00 51.96 49.35 1jkz s ALA 28 Cb -0.01 -1.76 0.00 0.00 0.00 0.00 0.00 23.12 21.36 1jkz s ALA 28 CO 0.37 -2.05 0.38 1.58 0.00 0.00 0.00 175.76 176.04 1jkz n HIS 29 N 3.28 0.00 -3.48 0.00 -0.00 -0.99 -4.39 115.22 109.63 1jkz n HIS 29 Ca 0.17 0.00 -0.18 0.00 0.46 0.00 0.00 57.72 58.17 1jkz n HIS 29 Cb 0.39 -0.22 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 1.97 0.00 -0.02 0.27 4.32 -1.23 -4.99 117.00 117.32 1jkz n LEU 30 Ca 0.00 -2.15 -0.20 0.00 -0.02 0.00 0.00 56.01 53.64 1jkz n LEU 30 Cb 0.19 -0.16 -0.13 0.00 -1.62 0.00 0.00 43.42 41.70 1jkz n LEU 30 CO 0.19 -0.58 -0.26 0.16 -1.22 0.00 0.00 177.39 175.69 1jkz h ILE 31 N 0.40 1.19 -3.66 -0.08 3.07 -1.88 -3.42 117.51 113.13 1jkz h ILE 31 Ca -0.25 -2.38 -0.07 0.00 1.55 0.00 0.00 64.86 63.71 1jkz h ILE 31 Cb 1.00 2.80 -0.12 0.00 -0.27 0.00 0.00 36.82 40.23 1jkz h ILE 31 CO 0.38 0.63 -0.20 -0.44 -1.05 0.00 0.00 178.15 177.47 1jkz s SER 32 N -6.88 -0.07 -0.19 2.16 0.01 -1.26 -5.01 113.70 102.46 1jkz s SER 32 Ca -0.20 -0.70 -0.12 0.00 1.31 0.00 0.00 55.95 56.24 1jkz s SER 32 Cb 0.03 0.48 0.06 0.00 0.21 0.00 0.00 66.02 66.80 1jkz s SER 32 CO 0.74 -0.93 0.48 -0.83 0.41 0.00 0.00 173.24 173.10 1jkz s GLY 33 N -2.92 -0.40 0.13 3.44 0.00 -1.26 -3.13 107.32 103.18 1jkz s GLY 33 Ca 0.13 1.67 0.08 0.00 0.00 0.00 0.00 44.72 46.60 1jkz s GLY 33 CO -0.02 1.72 -0.19 -1.59 0.00 0.00 0.00 173.10 173.02 1jkz s THR 34 N 1.20 1.69 -0.04 0.90 2.01 -1.14 -2.31 115.64 117.95 1jkz s THR 34 Ca -0.08 -1.72 -0.21 0.00 0.31 0.00 0.00 61.69 59.99 1jkz s THR 34 Cb -0.07 -1.66 -0.05 0.00 0.01 0.00 0.00 72.50 70.74 1jkz s THR 34 CO -0.11 -0.23 0.62 0.00 -0.69 0.00 0.00 174.62 174.22 1jkz s HIS 36 N 0.24 1.77 -1.13 0.00 3.76 0.52 -4.87 115.29 115.58 1jkz s HIS 36 Ca 0.33 -1.52 -0.23 0.00 -0.15 0.00 0.00 55.06 53.49 1jkz s HIS 36 Cb -0.18 -1.52 0.01 0.00 1.11 0.00 0.00 32.58 32.00 1jkz s HIS 36 CO 0.17 -0.77 0.76 0.09 -0.85 0.00 0.00 174.74 174.14 1jkz n ASN 37 N 4.84 -5.09 0.00 1.40 4.13 -1.26 -0.16 115.26 119.11 1jkz n ASN 37 Ca -0.07 -1.06 0.00 0.00 1.68 0.00 0.00 54.58 55.13 1jkz n ASN 37 Cb 0.44 -2.90 0.00 0.00 -1.54 0.00 0.00 39.78 35.78 1jkz n ASN 37 CO 0.00 0.00 0.00 0.79 0.28 0.00 0.00 177.26 178.33 1jkz n TRP 38 N -4.26 0.00 -4.39 3.10 5.03 -1.26 -4.98 117.44 110.68 1jkz n TRP 38 Ca -0.10 0.00 -0.24 0.00 3.03 0.00 0.00 57.50 60.19 1jkz n TRP 38 Cb 0.59 -1.34 -0.09 0.00 -1.03 0.00 0.00 31.31 29.44 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 -1.26 1.97 -0.23 -0.99 1.02 0.77 -4.68 119.74 116.35 1jkz s LYS 39 Ca 0.00 -1.61 -0.03 0.00 0.02 0.00 0.00 55.97 54.36 1jkz s LYS 39 Cb 0.00 -1.95 0.01 0.00 -0.52 0.00 0.00 37.83 35.37 1jkz s LYS 39 CO 0.00 0.34 -0.07 0.00 -0.92 0.00 0.00 175.35 174.70 1jkz s PHE 41 N 1.40 3.29 0.26 0.00 0.40 -0.63 -0.76 117.98 121.94 1jkz s PHE 41 Ca 0.04 -2.04 0.08 0.00 -0.60 0.00 0.00 56.93 54.41 1jkz s PHE 41 Cb -0.15 -2.12 -0.04 0.00 0.51 0.00 0.00 43.02 41.22 1jkz s PHE 41 CO -0.05 -0.83 0.10 0.00 0.70 0.00 0.00 175.22 175.14 1jkz s THR 43 N -2.23 4.12 0.07 0.00 -1.32 -1.18 0.70 115.64 115.80 1jkz s THR 43 Ca 0.32 -0.32 0.02 0.00 -1.21 0.00 0.00 61.69 60.51 1jkz s THR 43 Cb -0.07 -2.73 -0.03 0.00 -1.51 0.00 0.00 72.50 68.16 1jkz s THR 43 CO 0.22 0.59 -0.07 -1.58 -2.21 0.00 0.00 174.62 171.57 1jkz s GLN 44 N -0.72 0.68 0.03 7.08 0.74 0.80 -3.87 119.66 124.40 1jkz s GLN 44 Ca 0.11 -1.05 -0.30 0.00 0.05 0.00 0.00 55.36 54.16 1jkz s GLN 44 Cb -0.12 -0.24 -0.06 0.00 1.10 0.00 0.00 33.01 33.69 1jkz s GLN 44 CO 0.02 0.01 1.35 -0.80 -0.55 0.00 0.00 175.29 175.33 1jkz s ASN 45 N -2.33 6.89 0.00 6.67 0.02 -1.26 -1.94 114.94 122.98 1jkz s ASN 45 Ca 0.01 2.12 0.00 0.00 -1.02 0.00 0.00 52.86 53.97 1jkz s ASN 45 Cb -0.02 -2.57 0.00 0.00 0.02 0.00 0.00 41.25 38.68 1jkz s ASN 45 CO -0.02 -0.66 0.00 0.00 0.02 0.00 0.00 177.10 176.44