#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 0.03 -0.16 -0.18 -4.23 -1.26 -4.37 115.64 105.47 1jkz s THR 2 Ca 0.00 -0.72 -0.03 0.00 -1.18 0.00 0.00 61.69 59.76 1jkz s THR 2 Cb 0.00 -1.49 -0.03 0.00 1.34 0.00 0.00 72.50 72.32 1jkz s THR 2 CO 0.00 -0.14 -0.05 0.00 -0.54 0.00 0.00 174.62 173.89 1jkz s GLU 4 N 0.41 3.07 -0.01 0.00 2.02 -1.26 0.22 118.70 123.14 1jkz s GLU 4 Ca -0.04 -0.59 -0.01 0.00 0.02 0.00 0.00 54.97 54.35 1jkz s GLU 4 Cb -0.14 -2.64 0.01 0.00 0.10 0.00 0.00 34.13 31.45 1jkz s GLU 4 CO 0.03 0.46 0.02 -1.01 0.02 0.00 0.00 175.26 174.79 1jkz s HIS 5 N -0.27 -0.01 -0.21 1.61 3.76 0.12 -4.91 115.29 115.37 1jkz s HIS 5 Ca 0.03 0.07 -0.19 0.00 -0.15 0.00 0.00 55.06 54.82 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 0.03 -0.02 0.57 -1.17 -0.85 0.00 0.00 174.74 173.29 1jkz s LEU 6 N 0.19 4.13 -0.20 0.89 0.20 -1.26 0.18 118.68 122.82 1jkz s LEU 6 Ca -0.02 0.73 -0.26 0.00 0.69 0.00 0.00 54.13 55.28 1jkz s LEU 6 Cb -0.02 -2.79 -0.01 0.00 -0.43 0.00 0.00 46.19 42.94 1jkz s LEU 6 CO -0.01 -0.24 0.87 0.00 -0.29 0.00 0.00 176.35 176.68 1jkz s ALA 7 N 1.86 3.58 -1.12 5.97 0.00 -1.01 -4.93 121.76 126.11 1jkz s ALA 7 Ca 0.26 0.02 0.16 0.00 0.00 0.00 0.00 51.96 52.40 1jkz s ALA 7 Cb -0.16 -3.30 0.72 0.00 0.00 0.00 0.00 23.12 20.38 1jkz s ALA 7 CO 0.10 -0.79 1.50 -0.40 0.00 0.00 0.00 175.76 176.16 1jkz n ASP 8 N 5.62 0.00 -3.21 0.00 5.68 -1.26 -3.61 116.55 119.77 1jkz n ASP 8 Ca 0.06 0.37 -0.37 0.00 -0.50 0.00 0.00 54.79 54.36 1jkz n ASP 8 Cb 0.48 -0.44 0.01 0.00 -1.14 0.00 0.00 41.12 40.03 1jkz n ASP 8 CO 0.00 0.00 0.00 0.41 -1.33 0.00 0.00 177.20 176.28 1jkz n THR 9 N -1.44 4.55 -3.74 2.12 -1.04 -1.26 -4.98 114.28 108.49 1jkz n THR 9 Ca 0.05 -5.37 -0.23 0.00 -2.04 0.00 0.00 64.05 56.45 1jkz n THR 9 Cb 0.17 -1.41 -0.02 0.00 -1.82 0.00 0.00 70.33 67.24 1jkz n THR 9 CO 0.00 0.00 0.00 -0.47 -0.64 0.00 0.00 175.07 173.96 1jkz s TYR 10 N -4.04 2.22 -0.48 -1.42 5.04 -1.24 -5.01 117.35 112.43 1jkz s TYR 10 Ca 0.45 -0.65 -0.09 0.00 -2.44 0.00 0.00 57.07 54.35 1jkz s TYR 10 Cb 0.29 -2.05 0.12 0.00 0.35 0.00 0.00 41.96 40.68 1jkz s TYR 10 CO -0.21 -0.26 0.35 -0.98 -1.34 0.00 0.00 175.55 173.10 1jkz s ARG 11 N -4.18 2.46 2.38 4.97 1.70 -1.26 -5.04 118.95 119.98 1jkz s ARG 11 Ca 0.43 -1.81 0.00 0.00 -0.47 0.00 0.00 55.73 53.87 1jkz s ARG 11 Cb -0.02 -3.90 0.00 0.00 -0.57 0.00 0.00 34.95 30.46 1jkz s ARG 11 CO 0.25 -1.19 0.00 0.41 -1.08 0.00 0.00 175.30 173.69 1jkz n GLY 12 N 4.81 2.28 3.91 3.88 0.00 -1.26 -4.65 105.19 114.17 1jkz n GLY 12 Ca -0.06 -0.20 -0.27 0.00 0.00 0.00 0.00 46.02 45.49 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 5.00 -0.05 1.61 1.01 -1.26 -4.79 120.40 121.91 1jkz s VAL 13 Ca 0.00 0.02 -0.10 0.00 0.00 0.00 0.00 61.98 61.90 1jkz s VAL 13 Cb 0.00 -3.79 -0.05 0.00 0.00 0.00 0.00 36.38 32.55 1jkz s VAL 13 CO 0.00 -0.49 0.26 0.00 0.00 0.00 0.00 175.10 174.87 1jkz n PHE 15 N 1.77 0.00 -4.73 0.00 3.01 -1.26 -4.91 117.46 111.33 1jkz n PHE 15 Ca -0.16 0.00 -0.25 0.00 1.01 0.00 0.00 57.45 58.04 1jkz n PHE 15 Cb 0.54 -0.07 -0.16 0.00 -0.01 0.00 0.00 39.48 39.77 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 -2.04 1.30 0.33 4.37 -4.23 -1.26 -5.03 115.64 109.08 1jkz s THR 16 Ca -0.02 -0.63 0.10 0.00 -1.18 0.00 0.00 61.69 59.96 1jkz s THR 16 Cb 0.01 -1.14 0.37 0.00 1.34 0.00 0.00 72.50 73.08 1jkz s THR 16 CO 0.05 0.38 1.59 0.78 -0.54 0.00 0.00 174.62 176.88 1jkz h ASN 17 N 6.47 -0.07 -0.73 3.99 2.35 -1.96 0.54 115.58 126.17 1jkz h ASN 17 Ca -0.32 0.26 0.21 0.00 -0.55 0.00 0.00 56.30 55.90 1jkz h ASN 17 Cb 1.18 0.36 -0.03 0.00 0.05 0.00 0.00 38.32 39.88 1jkz h ASN 17 CO 0.48 -0.35 0.64 0.00 -1.65 0.00 0.00 177.43 176.55 1jkz h ALA 18 N 1.96 2.56 -0.12 -0.83 0.00 -1.96 -1.43 119.26 119.45 1jkz h ALA 18 Ca 0.70 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.60 1jkz h ALA 18 Cb 1.63 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.45 1jkz h ALA 18 CO -0.82 -1.02 -0.01 1.03 0.00 0.00 0.00 179.25 178.43 1jkz h SER 19 N 0.00 -0.07 -0.22 0.00 0.87 -0.26 -1.97 113.55 111.89 1jkz h SER 19 Ca 0.34 0.03 -0.11 0.00 -1.23 0.00 0.00 61.79 60.82 1jkz h SER 19 Cb 1.63 0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 63.64 1jkz h SER 19 CO -0.00 -0.02 -0.29 0.00 -0.53 0.00 0.00 176.83 175.99 1jkz h ASP 21 N 0.27 -0.19 -0.70 0.00 1.82 -1.07 1.74 116.42 118.29 1jkz h ASP 21 Ca 0.03 0.02 0.15 0.00 -0.39 0.00 0.00 57.03 56.84 1jkz h ASP 21 Cb 0.87 0.07 -0.13 0.00 0.68 0.00 0.00 39.33 40.82 1jkz h ASP 21 CO 0.07 -0.07 -0.07 -0.78 -1.61 0.00 0.00 179.24 176.78 1jkz h ASP 22 N -0.10 -0.46 0.17 2.28 3.58 -1.48 0.81 116.42 121.22 1jkz h ASP 22 Ca -0.00 0.19 -0.00 0.00 0.42 0.00 0.00 57.03 57.64 1jkz h ASP 22 Cb 0.10 0.37 -0.01 0.00 1.72 0.00 0.00 39.33 41.50 1jkz h ASP 22 CO -0.03 -0.19 -0.21 -0.74 -2.88 0.00 0.00 179.24 175.20 1jkz h HIS 23 N 0.06 -0.57 -0.31 0.28 2.76 -0.93 0.59 115.15 117.03 1jkz h HIS 23 Ca 0.36 0.01 0.06 0.00 -2.20 0.00 0.00 60.37 58.60 1jkz h HIS 23 Cb 0.60 0.23 -0.06 0.00 1.55 0.00 0.00 27.41 29.73 1jkz h HIS 23 CO -0.47 -0.26 -0.09 0.00 -1.30 0.00 0.00 177.93 175.81 1jkz h LYS 25 N -0.02 0.44 0.12 0.00 3.64 0.74 0.53 116.57 122.02 1jkz h LYS 25 Ca 0.15 -0.03 -0.35 0.00 -1.27 0.00 0.00 60.65 59.16 1jkz h LYS 25 Cb 0.25 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 1jkz h LYS 25 CO -0.33 0.29 -1.85 -0.91 -2.27 0.00 0.00 179.45 174.37 1jkz h ASN 26 N 0.45 0.41 0.04 4.20 2.35 -0.19 -3.28 115.58 119.56 1jkz h ASN 26 Ca 0.43 -0.79 -0.00 0.00 -0.55 0.00 0.00 56.30 55.39 1jkz h ASN 26 Cb 0.67 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.91 1jkz h ASN 26 CO -0.41 1.69 -0.02 0.11 -1.65 0.00 0.00 177.43 177.15 1jkz h LYS 27 N 0.07 -0.05 -2.74 0.81 1.79 0.24 -3.41 116.57 113.28 1jkz h LYS 27 Ca -0.37 0.00 -0.61 0.00 -2.18 0.00 0.00 60.65 57.50 1jkz h LYS 27 Cb 2.05 0.01 -0.40 0.00 -1.58 0.00 0.00 32.23 32.31 1jkz h LYS 27 CO 0.12 0.60 -0.77 0.00 -1.08 0.00 0.00 179.45 178.32 1jkz s ALA 28 N -3.12 2.54 0.00 3.86 0.00 0.18 -5.03 121.76 120.20 1jkz s ALA 28 Ca -0.15 -3.08 0.00 0.00 0.00 0.00 0.00 51.96 48.72 1jkz s ALA 28 Cb -0.01 -1.88 0.00 0.00 0.00 0.00 0.00 23.12 21.24 1jkz s ALA 28 CO 0.58 -2.04 0.38 1.58 0.00 0.00 0.00 175.76 176.26 1jkz n HIS 29 N 2.52 0.00 -4.64 0.00 -0.00 -1.17 -4.48 115.22 107.43 1jkz n HIS 29 Ca 0.23 0.00 -0.28 0.00 0.46 0.00 0.00 57.72 58.14 1jkz n HIS 29 Cb 0.41 -0.22 -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 1.94 0.00 -0.01 0.27 4.32 -1.26 -5.04 117.00 117.22 1jkz n LEU 30 Ca 0.00 -2.72 -0.17 0.00 -0.02 0.00 0.00 56.01 53.10 1jkz n LEU 30 Cb 0.19 0.30 -0.10 0.00 -1.62 0.00 0.00 43.42 42.19 1jkz n LEU 30 CO 0.19 -0.39 0.31 0.16 -1.22 0.00 0.00 177.39 176.44 1jkz h ILE 31 N 1.22 1.43 -3.18 -0.08 3.07 -1.86 -3.43 117.51 114.68 1jkz h ILE 31 Ca -0.36 -1.98 -0.04 0.00 1.55 0.00 0.00 64.86 64.03 1jkz h ILE 31 Cb 1.09 2.52 -0.13 0.00 -0.27 0.00 0.00 36.82 40.04 1jkz h ILE 31 CO 0.60 0.58 0.06 -0.55 -1.05 0.00 0.00 178.15 177.79 1jkz s SER 32 N -6.65 -0.40 -0.09 2.16 0.15 -1.25 -4.99 113.70 102.63 1jkz s SER 32 Ca -0.14 -0.15 -0.03 0.00 0.70 0.00 0.00 55.95 56.33 1jkz s SER 32 Cb 0.04 0.53 0.05 0.00 -1.71 0.00 0.00 66.02 64.93 1jkz s SER 32 CO 0.81 -0.90 0.16 -0.83 1.20 0.00 0.00 173.24 173.68 1jkz s GLY 33 N -2.74 0.05 0.24 9.45 0.00 -1.26 -0.58 107.32 112.47 1jkz s GLY 33 Ca 0.02 0.57 0.08 0.00 0.00 0.00 0.00 44.72 45.38 1jkz s GLY 33 CO -0.12 1.69 0.10 -1.59 0.00 0.00 0.00 173.10 173.18 1jkz s THR 34 N 2.30 4.04 0.12 0.90 2.01 -0.45 -1.56 115.64 122.99 1jkz s THR 34 Ca 0.03 -1.56 -0.20 0.00 0.31 0.00 0.00 61.69 60.28 1jkz s THR 34 Cb -0.12 -3.15 -0.07 0.00 0.01 0.00 0.00 72.50 69.17 1jkz s THR 34 CO -0.06 -0.32 0.62 0.00 -0.69 0.00 0.00 174.62 174.17 1jkz s HIS 36 N -1.22 1.00 0.00 0.00 3.76 0.80 -4.94 115.29 114.69 1jkz s HIS 36 Ca 0.33 -0.71 0.00 0.00 -0.15 0.00 0.00 55.06 54.53 1jkz s HIS 36 Cb -0.19 -1.00 0.00 0.00 1.11 0.00 0.00 32.58 32.50 1jkz s HIS 36 CO 0.20 -0.54 0.00 0.09 -0.85 0.00 0.00 174.74 173.64 1jkz n ASN 37 N 5.06 0.00 -0.03 1.40 4.13 -1.26 -0.39 115.26 124.16 1jkz n ASN 37 Ca -0.09 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.17 1jkz n ASN 37 Cb 0.48 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.72 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 0.00 0.00 -4.34 3.10 7.02 -1.26 -4.83 117.44 117.13 1jkz n TRP 38 Ca 0.00 0.00 -0.18 0.00 -1.02 0.00 0.00 57.50 56.30 1jkz n TRP 38 Cb 0.00 0.04 -0.05 0.00 -2.42 0.00 0.00 31.31 28.88 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 0.00 0.63 -4.73 -0.99 5.02 0.47 -3.79 118.16 114.78 1jkz n LYS 39 Ca 0.00 -2.46 -0.31 0.00 -2.02 0.00 0.00 58.31 53.51 1jkz n LYS 39 Cb 0.51 1.42 -0.17 0.00 -0.02 0.00 0.00 35.03 36.77 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 0.76 2.86 -0.04 0.00 0.40 -0.37 -2.40 117.98 119.18 1jkz s PHE 41 Ca -0.10 -0.25 -0.00 0.00 -0.60 0.00 0.00 56.93 55.98 1jkz s PHE 41 Cb -0.16 -1.77 -0.03 0.00 0.51 0.00 0.00 43.02 41.57 1jkz s PHE 41 CO 0.00 0.09 0.01 0.00 0.70 0.00 0.00 175.22 176.03 1jkz s THR 43 N -1.00 4.09 0.05 0.00 -4.23 0.26 0.14 115.64 114.93 1jkz s THR 43 Ca 0.17 -0.28 0.06 0.00 -1.18 0.00 0.00 61.69 60.46 1jkz s THR 43 Cb -0.11 -2.82 -0.02 0.00 1.34 0.00 0.00 72.50 70.88 1jkz s THR 43 CO 0.07 0.47 -0.18 -1.58 -0.54 0.00 0.00 174.62 172.86 1jkz s GLN 44 N 0.55 1.19 0.12 3.99 0.74 0.13 -3.41 119.66 122.97 1jkz s GLN 44 Ca -0.01 -0.88 -0.31 0.00 0.05 0.00 0.00 55.36 54.21 1jkz s GLN 44 Cb -0.14 -1.27 -0.08 0.00 1.10 0.00 0.00 33.01 32.62 1jkz s GLN 44 CO 0.02 0.32 1.39 -0.80 -0.55 0.00 0.00 175.29 175.67 1jkz s ASN 45 N -1.21 6.82 0.00 6.67 0.01 -1.26 -0.84 114.94 125.13 1jkz s ASN 45 Ca 0.05 2.35 0.00 0.00 -0.71 0.00 0.00 52.86 54.55 1jkz s ASN 45 Cb -0.08 -2.59 0.00 0.00 0.41 0.00 0.00 41.25 38.99 1jkz s ASN 45 CO 0.02 -0.65 0.00 0.00 -1.51 0.00 0.00 177.10 174.96