#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 0.08 -0.02 -0.18 -1.32 -1.26 -3.79 115.64 109.14 1jkz s THR 2 Ca 0.00 -1.74 0.03 0.00 -1.21 0.00 0.00 61.69 58.77 1jkz s THR 2 Cb 0.00 -2.02 -0.00 0.00 -1.51 0.00 0.00 72.50 68.97 1jkz s THR 2 CO 0.00 -0.37 -0.11 0.00 -2.21 0.00 0.00 174.62 171.94 1jkz s GLU 4 N 0.06 2.53 -0.03 0.00 2.02 -1.26 -2.35 118.70 119.68 1jkz s GLU 4 Ca -0.01 -0.81 -0.03 0.00 0.02 0.00 0.00 54.97 54.14 1jkz s GLU 4 Cb -0.08 -2.53 0.01 0.00 0.10 0.00 0.00 34.13 31.63 1jkz s GLU 4 CO 0.00 0.56 0.09 -1.01 0.02 0.00 0.00 175.26 174.92 1jkz s HIS 5 N -1.21 -0.07 -0.18 1.61 3.76 0.02 -4.90 115.29 114.31 1jkz s HIS 5 Ca 0.23 0.18 -0.22 0.00 -0.15 0.00 0.00 55.06 55.10 1jkz s HIS 5 Cb -0.11 0.02 -0.02 0.00 1.11 0.00 0.00 32.58 33.57 1jkz s HIS 5 CO 0.15 -0.08 0.68 -1.17 -0.85 0.00 0.00 174.74 173.47 1jkz s LEU 6 N -0.15 4.17 -0.13 0.89 0.20 -1.26 0.59 118.68 123.00 1jkz s LEU 6 Ca -0.02 0.95 -0.25 0.00 0.69 0.00 0.00 54.13 55.49 1jkz s LEU 6 Cb -0.02 -2.98 -0.02 0.00 -0.43 0.00 0.00 46.19 42.74 1jkz s LEU 6 CO 0.00 -0.28 0.82 0.00 -0.29 0.00 0.00 176.35 176.61 1jkz s ALA 7 N 1.81 3.44 -1.24 5.97 0.00 -1.06 -4.94 121.76 125.75 1jkz s ALA 7 Ca 0.32 0.11 0.18 0.00 0.00 0.00 0.00 51.96 52.57 1jkz s ALA 7 Cb -0.16 -3.19 0.85 0.00 0.00 0.00 0.00 23.12 20.62 1jkz s ALA 7 CO 0.12 -0.50 1.56 -0.40 0.00 0.00 0.00 175.76 176.53 1jkz n ASP 8 N 4.82 0.00 -3.32 0.00 5.68 -1.26 -3.63 116.55 118.83 1jkz n ASP 8 Ca 0.04 0.24 -0.36 0.00 -0.50 0.00 0.00 54.79 54.20 1jkz n ASP 8 Cb 0.49 -0.38 0.01 0.00 -1.14 0.00 0.00 41.12 40.10 1jkz n ASP 8 CO 0.00 0.00 0.00 1.07 -1.33 0.00 0.00 177.20 176.94 1jkz n THR 9 N -1.38 4.86 -3.20 2.12 5.66 -1.26 -4.98 114.28 116.10 1jkz n THR 9 Ca 0.07 -5.65 0.00 0.00 -3.05 0.00 0.00 64.05 55.42 1jkz n THR 9 Cb 0.17 -1.46 0.00 0.00 -1.55 0.00 0.00 70.33 67.49 1jkz n THR 9 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1jkz n TYR 10 N -0.18 -1.45 -1.51 1.09 9.36 -1.24 -5.02 117.16 118.21 1jkz n TYR 10 Ca 0.43 0.00 -0.24 0.00 3.32 0.00 0.00 57.90 61.41 1jkz n TYR 10 Cb 0.31 0.00 0.11 0.00 -0.63 0.00 0.00 39.34 39.13 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 -0.48 2.65 0.00 2.98 1.74 -1.26 -5.03 116.66 117.26 1jkz n ARG 11 Ca 0.00 -3.43 0.00 0.00 -0.77 0.00 0.00 57.85 53.65 1jkz n ARG 11 Cb 0.00 -2.17 0.00 0.00 -1.02 0.00 0.00 32.46 29.27 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 -0.95 1.80 3.93 -0.13 0.00 -1.26 -4.83 105.19 103.74 1jkz n GLY 12 Ca 0.52 -0.02 -0.25 0.00 0.00 0.00 0.00 46.02 46.27 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 4.84 0.11 1.61 1.01 -1.26 -4.55 120.40 122.16 1jkz s VAL 13 Ca 0.00 -0.20 0.07 0.00 0.00 0.00 0.00 61.98 61.85 1jkz s VAL 13 Cb 0.00 -3.80 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 1jkz s VAL 13 CO 0.00 -0.64 -0.07 0.00 0.00 0.00 0.00 175.10 174.39 1jkz n PHE 15 N 0.57 0.00 -4.24 0.00 3.01 -1.26 -5.01 117.46 110.53 1jkz n PHE 15 Ca -0.12 0.00 -0.17 0.00 1.01 0.00 0.00 57.45 58.16 1jkz n PHE 15 Cb 0.53 0.03 -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 -1.84 0.82 0.36 4.37 -4.23 -1.26 -5.04 115.64 108.83 1jkz s THR 16 Ca 0.00 -0.85 0.18 0.00 -1.18 0.00 0.00 61.69 59.84 1jkz s THR 16 Cb 0.00 -0.77 0.36 0.00 1.34 0.00 0.00 72.50 73.44 1jkz s THR 16 CO 0.00 -0.06 1.66 0.78 -0.54 0.00 0.00 174.62 176.46 1jkz h ASN 17 N 5.07 0.46 -0.27 3.99 4.21 -1.98 0.44 115.58 127.49 1jkz h ASN 17 Ca -0.35 0.17 0.08 0.00 1.21 0.00 0.00 56.30 57.41 1jkz h ASN 17 Cb 1.19 0.13 -0.01 0.00 -1.12 0.00 0.00 38.32 38.50 1jkz h ASN 17 CO 0.44 -0.13 0.20 0.00 -1.29 0.00 0.00 177.43 176.65 1jkz h ALA 18 N 1.79 2.25 -0.75 -0.83 0.00 -1.96 -2.41 119.26 117.35 1jkz h ALA 18 Ca 0.74 -0.01 0.12 0.00 0.00 0.00 0.00 54.91 55.76 1jkz h ALA 18 Cb 1.83 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 19.59 1jkz h ALA 18 CO -0.55 -0.34 0.49 1.03 0.00 0.00 0.00 179.25 179.88 1jkz h SER 19 N 0.00 0.50 0.11 0.00 0.87 -0.46 -2.18 113.55 112.39 1jkz h SER 19 Ca 0.13 0.02 -0.29 0.00 -1.23 0.00 0.00 61.79 60.42 1jkz h SER 19 Cb 0.53 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.40 1jkz h SER 19 CO -0.00 0.28 -1.52 0.00 -0.53 0.00 0.00 176.83 175.06 1jkz h ASP 21 N -0.27 -0.94 -0.29 0.00 3.58 -0.78 1.65 116.42 119.37 1jkz h ASP 21 Ca -0.33 0.09 0.07 0.00 0.42 0.00 0.00 57.03 57.28 1jkz h ASP 21 Cb 1.80 0.34 -0.08 0.00 1.72 0.00 0.00 39.33 43.11 1jkz h ASP 21 CO 0.05 -0.36 -0.24 -0.78 -2.88 0.00 0.00 179.24 175.03 1jkz h ASP 22 N -0.51 -0.79 -0.11 2.28 3.58 -1.61 0.42 116.42 119.68 1jkz h ASP 22 Ca -0.01 0.15 0.02 0.00 0.42 0.00 0.00 57.03 57.61 1jkz h ASP 22 Cb 0.49 0.38 -0.05 0.00 1.72 0.00 0.00 39.33 41.87 1jkz h ASP 22 CO -0.14 -0.27 -0.43 -0.74 -2.88 0.00 0.00 179.24 174.78 1jkz h HIS 23 N -0.22 -1.27 -0.11 0.28 2.76 -1.44 0.48 115.15 115.62 1jkz h HIS 23 Ca 0.15 0.05 0.04 0.00 -2.20 0.00 0.00 60.37 58.41 1jkz h HIS 23 Cb 0.46 0.57 -0.05 0.00 1.55 0.00 0.00 27.41 29.94 1jkz h HIS 23 CO -0.42 -0.43 -0.19 0.00 -1.30 0.00 0.00 177.93 175.59 1jkz h LYS 25 N -0.26 0.79 0.21 0.00 1.57 0.27 0.31 116.57 119.45 1jkz h LYS 25 Ca 0.09 -0.05 -0.27 0.00 -1.87 0.00 0.00 60.65 58.55 1jkz h LYS 25 Cb 0.39 -0.18 0.03 0.00 0.08 0.00 0.00 32.23 32.55 1jkz h LYS 25 CO -0.26 0.52 -1.20 -0.91 -0.57 0.00 0.00 179.45 177.03 1jkz h ASN 26 N 0.81 0.70 0.13 0.86 2.35 0.39 -3.15 115.58 117.66 1jkz h ASN 26 Ca 0.33 -0.93 -0.01 0.00 -0.55 0.00 0.00 56.30 55.15 1jkz h ASN 26 Cb 0.19 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.33 1jkz h ASN 26 CO -0.18 1.58 -0.06 0.11 -1.65 0.00 0.00 177.43 177.23 1jkz h LYS 27 N -0.07 -0.16 -2.87 0.81 1.79 0.13 -3.41 116.57 112.79 1jkz h LYS 27 Ca -0.21 0.01 -0.61 0.00 -2.18 0.00 0.00 60.65 57.66 1jkz h LYS 27 Cb 1.95 0.04 -0.41 0.00 -1.58 0.00 0.00 32.23 32.23 1jkz h LYS 27 CO 0.23 0.22 -0.72 0.00 -1.08 0.00 0.00 179.45 178.10 1jkz s ALA 28 N -3.21 2.86 0.00 3.86 0.00 0.11 -5.03 121.76 120.35 1jkz s ALA 28 Ca -0.10 -3.25 0.00 0.00 0.00 0.00 0.00 51.96 48.61 1jkz s ALA 28 Cb -0.00 -1.96 0.00 0.00 0.00 0.00 0.00 23.12 21.16 1jkz s ALA 28 CO 0.37 -2.05 0.34 1.58 0.00 0.00 0.00 175.76 176.00 1jkz n HIS 29 N 2.47 0.00 -4.55 0.00 -0.00 -1.18 -4.42 115.22 107.54 1jkz n HIS 29 Ca 0.21 0.00 -0.32 0.00 0.46 0.00 0.00 57.72 58.07 1jkz n HIS 29 Cb 0.39 -0.19 -0.05 0.00 -0.12 0.00 0.00 29.99 30.01 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 2.33 -0.02 0.27 1.02 -1.25 -5.01 118.68 116.02 1jkz s LEU 30 Ca 0.00 -1.58 -0.22 0.00 0.02 0.00 0.00 54.13 52.34 1jkz s LEU 30 Cb 0.00 -0.82 -0.22 0.00 0.02 0.00 0.00 46.19 45.17 1jkz s LEU 30 CO 0.00 -0.97 1.11 0.16 0.02 0.00 0.00 176.35 176.67 1jkz h ILE 31 N 1.14 1.47 -3.43 -0.59 3.07 -1.87 -3.41 117.51 113.89 1jkz h ILE 31 Ca -0.42 -1.84 -0.05 0.00 1.55 0.00 0.00 64.86 64.10 1jkz h ILE 31 Cb 1.32 2.53 -0.06 0.00 -0.27 0.00 0.00 36.82 40.34 1jkz h ILE 31 CO 0.69 0.52 0.04 -0.55 -1.05 0.00 0.00 178.15 177.80 1jkz s SER 32 N -6.39 0.05 -0.30 2.16 0.15 -1.26 -4.98 113.70 103.13 1jkz s SER 32 Ca -0.15 -0.98 -0.13 0.00 0.70 0.00 0.00 55.95 55.39 1jkz s SER 32 Cb 0.02 0.69 0.15 0.00 -1.71 0.00 0.00 66.02 65.18 1jkz s SER 32 CO 0.76 -1.33 0.85 -0.83 1.20 0.00 0.00 173.24 173.89 1jkz s GLY 33 N -3.04 -0.43 0.45 9.45 0.00 -1.26 -2.32 107.32 110.16 1jkz s GLY 33 Ca 0.19 2.73 0.07 0.00 0.00 0.00 0.00 44.72 47.72 1jkz s GLY 33 CO 0.11 3.20 0.40 -1.08 0.00 0.00 0.00 173.10 175.73 1jkz s THR 34 N 2.65 2.44 -0.14 0.90 -1.32 -1.11 -0.89 115.64 118.17 1jkz s THR 34 Ca -0.03 -1.36 -0.13 0.00 -1.21 0.00 0.00 61.69 58.96 1jkz s THR 34 Cb -0.09 -2.80 -0.05 0.00 -1.51 0.00 0.00 72.50 68.05 1jkz s THR 34 CO -0.18 0.00 0.28 0.00 -2.21 0.00 0.00 174.62 172.51 1jkz s HIS 36 N 0.13 2.75 0.00 0.00 3.76 0.16 -4.92 115.29 117.18 1jkz s HIS 36 Ca 0.17 -1.67 0.00 0.00 -0.15 0.00 0.00 55.06 53.41 1jkz s HIS 36 Cb -0.13 -1.88 0.00 0.00 1.11 0.00 0.00 32.58 31.68 1jkz s HIS 36 CO 0.05 -0.80 0.00 -1.71 -0.85 0.00 0.00 174.74 171.42 1jkz n ASN 37 N 4.62 0.00 -0.16 1.40 4.05 -1.26 -0.16 115.26 123.75 1jkz n ASN 37 Ca -0.20 0.00 0.00 0.00 0.45 0.00 0.00 54.58 54.83 1jkz n ASN 37 Cb 0.49 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.50 1jkz n ASN 37 CO 0.00 0.00 0.00 0.79 -3.05 0.00 0.00 177.26 175.00 1jkz n TRP 38 N 0.00 0.00 -4.41 1.20 7.02 -1.26 -4.93 117.44 115.06 1jkz n TRP 38 Ca 0.00 0.00 -0.21 0.00 -1.02 0.00 0.00 57.50 56.27 1jkz n TRP 38 Cb 0.00 0.07 -0.06 0.00 -2.42 0.00 0.00 31.31 28.90 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 0.61 -4.94 -0.99 5.02 0.77 -3.42 118.16 115.21 1jkz n LYS 39 Ca 0.00 -2.91 -0.33 0.00 -2.02 0.00 0.00 58.31 53.06 1jkz n LYS 39 Cb 0.54 1.64 -0.15 0.00 -0.02 0.00 0.00 35.03 37.04 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 -0.09 2.17 -0.00 0.00 0.40 -0.92 -2.58 117.98 116.96 1jkz s PHE 41 Ca -0.03 -0.71 0.01 0.00 -0.60 0.00 0.00 56.93 55.60 1jkz s PHE 41 Cb -0.14 -1.45 -0.04 0.00 0.51 0.00 0.00 43.02 41.90 1jkz s PHE 41 CO 0.04 -0.25 0.02 0.00 0.70 0.00 0.00 175.22 175.72 1jkz s THR 43 N -1.11 4.05 0.01 0.00 -1.32 -0.98 -0.80 115.64 115.49 1jkz s THR 43 Ca 0.20 -0.32 0.00 0.00 -1.21 0.00 0.00 61.69 60.36 1jkz s THR 43 Cb -0.12 -2.74 -0.01 0.00 -1.51 0.00 0.00 72.50 68.13 1jkz s THR 43 CO 0.11 0.54 -0.02 -1.58 -2.21 0.00 0.00 174.62 171.46 1jkz s GLN 44 N -0.23 0.18 0.01 7.08 0.74 -0.99 -3.76 119.66 122.69 1jkz s GLN 44 Ca 0.05 -0.30 -0.30 0.00 0.05 0.00 0.00 55.36 54.86 1jkz s GLN 44 Cb -0.13 -0.00 -0.07 0.00 1.10 0.00 0.00 33.01 33.91 1jkz s GLN 44 CO 0.02 -0.01 1.71 -0.80 -0.55 0.00 0.00 175.29 175.66 1jkz s ASN 45 N -0.67 6.61 0.00 6.67 0.01 -1.26 -2.88 114.94 123.41 1jkz s ASN 45 Ca -0.07 2.40 0.00 0.00 -0.71 0.00 0.00 52.86 54.49 1jkz s ASN 45 Cb -0.05 -2.54 0.00 0.00 0.41 0.00 0.00 41.25 39.07 1jkz s ASN 45 CO -0.00 -0.93 0.00 0.00 -1.51 0.00 0.00 177.10 174.65