#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 -0.11 -0.18 -1.32 -1.26 -3.97 115.64 108.81 1jkz s THR 2 Ca 0.00 -1.71 0.03 0.00 -1.21 0.00 0.00 61.69 58.81 1jkz s THR 2 Cb 0.00 -2.34 -0.00 0.00 -1.51 0.00 0.00 72.50 68.65 1jkz s THR 2 CO 0.00 -0.02 -0.23 0.00 -2.21 0.00 0.00 174.62 172.17 1jkz s GLU 4 N 0.37 2.96 -0.06 0.00 2.02 -1.26 -0.97 118.70 121.77 1jkz s GLU 4 Ca -0.17 -0.62 -0.09 0.00 0.02 0.00 0.00 54.97 54.10 1jkz s GLU 4 Cb -0.18 -2.59 0.02 0.00 0.10 0.00 0.00 34.13 31.48 1jkz s GLU 4 CO 0.08 0.49 0.23 -1.01 0.02 0.00 0.00 175.26 175.07 1jkz s HIS 5 N -0.35 -0.18 0.11 1.61 3.76 -0.46 -4.91 115.29 114.87 1jkz s HIS 5 Ca 0.04 0.40 -0.30 0.00 -0.15 0.00 0.00 55.06 55.05 1jkz s HIS 5 Cb -0.12 0.06 -0.06 0.00 1.11 0.00 0.00 32.58 33.56 1jkz s HIS 5 CO 0.02 -0.22 1.11 -1.17 -0.85 0.00 0.00 174.74 173.64 1jkz s LEU 6 N -0.51 4.43 -0.16 0.89 2.96 -1.26 0.12 118.68 125.15 1jkz s LEU 6 Ca -0.06 2.00 -0.21 0.00 -0.22 0.00 0.00 54.13 55.64 1jkz s LEU 6 Cb -0.04 -3.59 -0.03 0.00 0.50 0.00 0.00 46.19 43.03 1jkz s LEU 6 CO 0.01 -0.31 0.61 0.00 -1.32 0.00 0.00 176.35 175.34 1jkz s ALA 7 N 0.38 3.50 -0.97 5.97 0.00 -0.78 -4.94 121.76 124.91 1jkz s ALA 7 Ca 0.53 -0.21 0.24 0.00 0.00 0.00 0.00 51.96 52.53 1jkz s ALA 7 Cb -0.28 -2.90 1.03 0.00 0.00 0.00 0.00 23.12 20.96 1jkz s ALA 7 CO 0.32 -0.39 1.78 -0.25 0.00 0.00 0.00 175.76 177.22 1jkz n ASP 8 N 4.61 0.06 -3.22 0.00 8.00 -1.26 -3.82 116.55 120.91 1jkz n ASP 8 Ca -0.03 0.51 -0.35 0.00 0.71 0.00 0.00 54.79 55.63 1jkz n ASP 8 Cb 0.50 -0.52 0.00 0.00 -0.02 0.00 0.00 41.12 41.08 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 -1.56 4.51 -3.46 -3.53 -2.24 -1.26 -5.00 114.28 101.73 1jkz n THR 9 Ca 0.06 -5.55 -0.07 0.00 -2.27 0.00 0.00 64.05 56.22 1jkz n THR 9 Cb 0.29 -1.44 0.00 0.00 -2.10 0.00 0.00 70.33 67.09 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 -0.22 -1.63 -1.39 4.78 9.36 -1.25 -4.98 117.16 121.84 1jkz n TYR 10 Ca 0.42 -0.65 -0.15 0.00 3.32 0.00 0.00 57.90 60.84 1jkz n TYR 10 Cb 0.33 -0.14 0.18 0.00 -0.63 0.00 0.00 39.34 39.08 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 -0.99 2.11 0.00 2.98 1.74 -1.26 -5.03 116.66 116.20 1jkz n ARG 11 Ca 0.01 -3.17 0.00 0.00 -0.77 0.00 0.00 57.85 53.92 1jkz n ARG 11 Cb 0.18 -2.00 0.00 0.00 -1.02 0.00 0.00 32.46 29.61 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 -1.11 1.89 3.93 -0.13 0.00 -1.26 -4.87 105.19 103.63 1jkz n GLY 12 Ca 0.46 -0.22 -0.25 0.00 0.00 0.00 0.00 46.02 46.01 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 4.98 0.12 1.61 1.01 -1.25 -4.50 120.40 122.37 1jkz s VAL 13 Ca 0.00 -0.19 0.07 0.00 0.00 0.00 0.00 61.98 61.86 1jkz s VAL 13 Cb 0.00 -3.85 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 1jkz s VAL 13 CO 0.00 -0.67 -0.07 0.00 0.00 0.00 0.00 175.10 174.36 1jkz n PHE 15 N 0.45 0.00 -4.41 0.00 3.01 -1.26 -4.98 117.46 110.27 1jkz n PHE 15 Ca -0.12 0.00 -0.20 0.00 1.01 0.00 0.00 57.45 58.14 1jkz n PHE 15 Cb 0.53 0.05 -0.14 0.00 -0.01 0.00 0.00 39.48 39.91 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 -1.87 0.94 0.32 4.37 -4.23 -1.26 -5.04 115.64 108.87 1jkz s THR 16 Ca 0.00 -0.69 0.05 0.00 -1.18 0.00 0.00 61.69 59.86 1jkz s THR 16 Cb 0.00 -0.82 0.41 0.00 1.34 0.00 0.00 72.50 73.43 1jkz s THR 16 CO 0.00 0.12 1.57 0.78 -0.54 0.00 0.00 174.62 176.55 1jkz h ASN 17 N 5.45 -0.37 -1.02 3.99 4.21 -1.98 0.55 115.58 126.42 1jkz h ASN 17 Ca -0.34 0.28 0.29 0.00 1.21 0.00 0.00 56.30 57.74 1jkz h ASN 17 Cb 1.18 0.46 -0.04 0.00 -1.12 0.00 0.00 38.32 38.80 1jkz h ASN 17 CO 0.47 -0.37 0.73 0.00 -1.29 0.00 0.00 177.43 176.97 1jkz h ALA 18 N 2.00 2.95 -0.03 -0.83 0.00 -1.96 -2.15 119.26 119.23 1jkz h ALA 18 Ca 0.64 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.55 1jkz h ALA 18 Cb 1.39 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 19.20 1jkz h ALA 18 CO -0.91 -1.24 -0.32 1.03 0.00 0.00 0.00 179.25 177.81 1jkz h SER 19 N 0.01 -0.97 -0.21 0.00 0.87 -0.25 -2.26 113.55 110.74 1jkz h SER 19 Ca 0.49 0.13 -0.05 0.00 -1.23 0.00 0.00 61.79 61.13 1jkz h SER 19 Cb 1.93 0.40 -0.01 0.00 -0.44 0.00 0.00 62.40 64.28 1jkz h SER 19 CO -0.01 -0.38 -0.06 0.00 -0.53 0.00 0.00 176.83 175.85 1jkz n ASP 21 N -4.60 0.00 -0.16 0.00 -0.08 -0.14 0.19 116.55 111.75 1jkz n ASP 21 Ca -0.05 0.88 -0.07 0.00 -1.51 0.00 0.00 54.79 54.04 1jkz n ASP 21 Cb 0.29 -0.38 -0.01 0.00 2.34 0.00 0.00 41.12 43.36 1jkz n ASP 21 CO 0.00 0.00 0.00 -0.78 0.12 0.00 0.00 177.20 176.54 1jkz h ASP 22 N 0.00 -1.18 -0.19 1.67 3.58 -1.54 -0.06 116.42 118.70 1jkz h ASP 22 Ca 0.00 0.21 0.02 0.00 0.42 0.00 0.00 57.03 57.69 1jkz h ASP 22 Cb 0.00 0.56 -0.04 0.00 1.72 0.00 0.00 39.33 41.57 1jkz h ASP 22 CO 0.00 -0.32 -0.29 -0.74 -2.88 0.00 0.00 179.24 175.01 1jkz h HIS 23 N -0.22 -0.88 -0.45 0.28 2.76 -0.87 0.29 115.15 116.07 1jkz h HIS 23 Ca 0.20 0.04 0.08 0.00 -2.20 0.00 0.00 60.37 58.49 1jkz h HIS 23 Cb 0.55 0.41 -0.07 0.00 1.55 0.00 0.00 27.41 29.85 1jkz h HIS 23 CO -0.60 -0.26 0.01 0.00 -1.30 0.00 0.00 177.93 175.77 1jkz h LYS 25 N 0.12 0.93 0.19 0.00 1.57 -0.46 -0.44 116.57 118.48 1jkz h LYS 25 Ca 0.22 -0.06 -0.33 0.00 -1.87 0.00 0.00 60.65 58.62 1jkz h LYS 25 Cb 0.32 -0.21 0.02 0.00 0.08 0.00 0.00 32.23 32.44 1jkz h LYS 25 CO -0.37 0.61 -1.58 -0.91 -0.57 0.00 0.00 179.45 176.64 1jkz h ASN 26 N 0.95 0.64 0.02 0.86 2.35 0.23 -3.27 115.58 117.36 1jkz h ASN 26 Ca 0.29 -0.81 -0.00 0.00 -0.55 0.00 0.00 56.30 55.23 1jkz h ASN 26 Cb -0.04 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.12 1jkz h ASN 26 CO -0.09 1.66 -0.01 0.11 -1.65 0.00 0.00 177.43 177.45 1jkz h LYS 27 N 0.11 -0.03 -3.02 0.81 1.79 0.74 -3.41 116.57 113.56 1jkz h LYS 27 Ca -0.28 0.00 -0.62 0.00 -2.18 0.00 0.00 60.65 57.58 1jkz h LYS 27 Cb 2.10 0.01 -0.41 0.00 -1.58 0.00 0.00 32.23 32.35 1jkz h LYS 27 CO 0.21 0.51 -0.65 0.00 -1.08 0.00 0.00 179.45 178.44 1jkz s ALA 28 N -2.55 3.24 0.00 3.86 0.00 -0.18 -5.02 121.76 121.11 1jkz s ALA 28 Ca -0.11 -3.44 0.00 0.00 0.00 0.00 0.00 51.96 48.41 1jkz s ALA 28 Cb -0.01 -2.06 0.00 0.00 0.00 0.00 0.00 23.12 21.05 1jkz s ALA 28 CO 0.40 -2.07 0.33 1.58 0.00 0.00 0.00 175.76 176.01 1jkz n HIS 29 N 2.41 0.00 -4.35 0.00 -0.00 -1.22 -4.49 115.22 107.57 1jkz n HIS 29 Ca 0.18 0.00 -0.15 0.00 0.46 0.00 0.00 57.72 58.21 1jkz n HIS 29 Cb 0.36 -0.19 -0.03 0.00 -0.12 0.00 0.00 29.99 30.01 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 1.68 0.00 -0.06 0.27 4.32 -1.25 -5.04 117.00 116.93 1jkz n LEU 30 Ca 0.00 -1.53 -0.16 0.00 -0.02 0.00 0.00 56.01 54.30 1jkz n LEU 30 Cb 0.17 0.21 -0.13 0.00 -1.62 0.00 0.00 43.42 42.04 1jkz n LEU 30 CO 0.17 -0.22 0.22 0.16 -1.22 0.00 0.00 177.39 176.50 1jkz h ILE 31 N 1.15 1.64 -3.63 -0.08 3.07 -1.87 -3.41 117.51 114.38 1jkz h ILE 31 Ca -0.20 -2.35 -0.07 0.00 1.55 0.00 0.00 64.86 63.80 1jkz h ILE 31 Cb 0.61 3.22 -0.12 0.00 -0.27 0.00 0.00 36.82 40.26 1jkz h ILE 31 CO 0.33 0.59 -0.19 -0.44 -1.05 0.00 0.00 178.15 177.39 1jkz s SER 32 N -6.40 -0.08 -0.11 2.16 0.01 -1.26 -4.91 113.70 103.12 1jkz s SER 32 Ca -0.20 -0.64 -0.05 0.00 1.31 0.00 0.00 55.95 56.38 1jkz s SER 32 Cb -0.01 0.47 0.05 0.00 0.21 0.00 0.00 66.02 66.74 1jkz s SER 32 CO 0.69 -0.91 0.24 -0.83 0.41 0.00 0.00 173.24 172.84 1jkz s GLY 33 N -2.90 -0.12 0.19 3.44 0.00 -1.26 -2.12 107.32 104.55 1jkz s GLY 33 Ca 0.11 0.94 0.11 0.00 0.00 0.00 0.00 44.72 45.88 1jkz s GLY 33 CO -0.04 1.40 -0.24 -1.59 0.00 0.00 0.00 173.10 172.62 1jkz s THR 34 N 1.54 2.35 0.09 0.90 2.01 -1.01 -0.97 115.64 120.55 1jkz s THR 34 Ca -0.07 -2.00 -0.25 0.00 0.31 0.00 0.00 61.69 59.68 1jkz s THR 34 Cb -0.11 -2.12 -0.06 0.00 0.01 0.00 0.00 72.50 70.22 1jkz s THR 34 CO -0.08 -0.09 0.78 0.00 -0.69 0.00 0.00 174.62 174.53 1jkz s HIS 36 N -0.46 1.77 0.00 0.00 3.76 0.14 -4.95 115.29 115.55 1jkz s HIS 36 Ca 0.38 -1.16 0.00 0.00 -0.15 0.00 0.00 55.06 54.13 1jkz s HIS 36 Cb -0.22 -1.34 0.00 0.00 1.11 0.00 0.00 32.58 32.13 1jkz s HIS 36 CO 0.24 -0.64 0.00 0.09 -0.85 0.00 0.00 174.74 173.59 1jkz n ASN 37 N 4.85 0.00 0.00 1.40 4.13 -1.26 -0.90 115.26 123.49 1jkz n ASN 37 Ca -0.12 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.14 1jkz n ASN 37 Cb 0.47 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.71 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 -4.49 3.10 7.02 -1.26 -4.88 117.44 116.93 1jkz n TRP 38 Ca 0.00 0.00 -0.25 0.00 -1.02 0.00 0.00 57.50 56.23 1jkz n TRP 38 Cb 0.00 0.04 -0.08 0.00 -2.42 0.00 0.00 31.31 28.85 1jkz n TRP 38 CO 0.00 0.00 0.00 -1.59 -2.02 0.00 0.00 177.69 174.08 1jkz s LYS 39 N 0.00 1.94 -0.12 -0.99 -2.85 -0.08 -3.28 119.74 114.36 1jkz s LYS 39 Ca 0.00 -2.18 -0.00 0.00 -1.00 0.00 0.00 55.97 52.79 1jkz s LYS 39 Cb 0.00 -0.46 -0.02 0.00 -2.06 0.00 0.00 37.83 35.29 1jkz s LYS 39 CO 0.00 -0.53 -0.11 0.00 0.10 0.00 0.00 175.35 174.81 1jkz s PHE 41 N 0.16 2.79 -0.05 0.00 0.40 -0.93 -1.87 117.98 118.48 1jkz s PHE 41 Ca -0.06 -0.49 -0.00 0.00 -0.60 0.00 0.00 56.93 55.78 1jkz s PHE 41 Cb -0.15 -1.78 -0.03 0.00 0.51 0.00 0.00 43.02 41.57 1jkz s PHE 41 CO 0.04 -0.08 0.01 0.00 0.70 0.00 0.00 175.22 175.89 1jkz s THR 43 N -0.98 4.19 -0.03 0.00 -4.23 -0.90 -1.36 115.64 112.33 1jkz s THR 43 Ca 0.16 -0.25 0.05 0.00 -1.18 0.00 0.00 61.69 60.48 1jkz s THR 43 Cb -0.11 -2.87 -0.01 0.00 1.34 0.00 0.00 72.50 70.85 1jkz s THR 43 CO 0.06 0.47 -0.18 -1.58 -0.54 0.00 0.00 174.62 172.85 1jkz s GLN 44 N 0.50 1.62 -0.08 3.99 0.74 -0.14 -3.73 119.66 122.57 1jkz s GLN 44 Ca -0.01 -0.64 -0.29 0.00 0.05 0.00 0.00 55.36 54.47 1jkz s GLN 44 Cb -0.14 -1.50 -0.07 0.00 1.10 0.00 0.00 33.01 32.41 1jkz s GLN 44 CO 0.02 0.34 2.10 0.09 -0.55 0.00 0.00 175.29 177.28 1jkz n ASN 45 N 2.84 3.75 0.00 6.67 3.02 -1.26 -1.93 115.26 128.34 1jkz n ASN 45 Ca -0.16 0.57 0.00 0.00 -0.03 0.00 0.00 54.58 54.95 1jkz n ASN 45 Cb 0.53 -1.54 0.00 0.00 -0.61 0.00 0.00 39.78 38.16 1jkz n ASN 45 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64