#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 0.06 -0.05 -0.18 -4.23 -1.26 -4.30 115.64 105.69 1jkz s THR 2 Ca 0.00 -1.57 0.02 0.00 -1.18 0.00 0.00 61.69 58.96 1jkz s THR 2 Cb 0.00 -1.98 -0.03 0.00 1.34 0.00 0.00 72.50 71.83 1jkz s THR 2 CO 0.00 -0.28 -0.10 0.00 -0.54 0.00 0.00 174.62 173.70 1jkz s GLU 4 N -0.87 2.69 0.01 0.00 2.02 -1.26 -1.66 118.70 119.64 1jkz s GLU 4 Ca 0.13 -0.71 0.00 0.00 0.02 0.00 0.00 54.97 54.41 1jkz s GLU 4 Cb -0.11 -2.41 -0.01 0.00 0.10 0.00 0.00 34.13 31.70 1jkz s GLU 4 CO 0.02 0.52 -0.02 -1.01 0.02 0.00 0.00 175.26 174.78 1jkz s HIS 5 N -0.46 0.21 -0.21 1.61 3.76 -1.08 -4.93 115.29 114.19 1jkz s HIS 5 Ca 0.06 -0.26 -0.19 0.00 -0.15 0.00 0.00 55.06 54.51 1jkz s HIS 5 Cb -0.12 -0.14 -0.03 0.00 1.11 0.00 0.00 32.58 33.40 1jkz s HIS 5 CO 0.02 -0.08 0.55 -1.17 -0.85 0.00 0.00 174.74 173.20 1jkz s LEU 6 N -0.74 4.13 0.12 0.89 1.98 -1.26 -0.75 118.68 123.05 1jkz s LEU 6 Ca -0.07 0.69 -0.30 0.00 -2.89 0.00 0.00 54.13 51.56 1jkz s LEU 6 Cb -0.05 -2.75 -0.06 0.00 0.66 0.00 0.00 46.19 43.99 1jkz s LEU 6 CO -0.00 -0.22 0.96 0.00 -1.89 0.00 0.00 176.35 175.19 1jkz s ALA 7 N 1.84 3.25 -0.61 5.97 0.00 -1.16 -4.95 121.76 126.10 1jkz s ALA 7 Ca 0.25 0.58 0.05 0.00 0.00 0.00 0.00 51.96 52.84 1jkz s ALA 7 Cb -0.16 -3.28 0.33 0.00 0.00 0.00 0.00 23.12 20.02 1jkz s ALA 7 CO 0.10 -0.01 1.07 -0.40 0.00 0.00 0.00 175.76 176.52 1jkz n ASP 8 N 2.67 3.00 -0.06 0.00 5.68 -1.26 -3.87 116.55 122.71 1jkz n ASP 8 Ca 0.02 -2.42 -0.06 0.00 -0.50 0.00 0.00 54.79 51.83 1jkz n ASP 8 Cb 0.49 -0.59 -0.09 0.00 -1.14 0.00 0.00 41.12 39.79 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 0.19 0.79 -3.73 2.12 5.66 -1.26 -4.95 114.28 113.09 1jkz n THR 9 Ca 0.13 -0.47 -0.26 0.00 -3.05 0.00 0.00 64.05 60.41 1jkz n THR 9 Cb 0.69 -0.72 -0.17 0.00 -1.55 0.00 0.00 70.33 68.58 1jkz n THR 9 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 175.07 171.55 1jkz s TYR 10 N -2.28 0.79 -0.24 1.09 5.04 -1.25 -5.11 117.35 115.39 1jkz s TYR 10 Ca -0.07 -0.53 -0.03 0.00 -2.44 0.00 0.00 57.07 54.00 1jkz s TYR 10 Cb 0.04 -0.90 0.13 0.00 0.35 0.00 0.00 41.96 41.57 1jkz s TYR 10 CO 0.46 -0.49 0.34 1.03 -1.34 0.00 0.00 175.55 175.54 1jkz s ARG 11 N 1.94 0.31 0.00 4.97 0.52 -1.26 -4.54 118.95 120.89 1jkz s ARG 11 Ca 0.02 0.39 0.00 0.00 -0.52 0.00 0.00 55.73 55.61 1jkz s ARG 11 Cb -0.15 -0.66 0.00 0.00 0.52 0.00 0.00 34.95 34.66 1jkz s ARG 11 CO -0.07 -0.69 0.00 0.41 0.02 0.00 0.00 175.30 174.97 1jkz n GLY 12 N 5.35 4.06 3.63 -3.53 0.00 -1.26 -5.09 105.19 108.35 1jkz n GLY 12 Ca -0.04 -1.08 -0.43 0.00 0.00 0.00 0.00 46.02 44.48 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 -2.03 4.58 0.15 1.61 1.01 -1.26 -4.34 120.40 120.11 1jkz s VAL 13 Ca 0.00 1.60 -0.15 0.00 0.00 0.00 0.00 61.98 63.43 1jkz s VAL 13 Cb 0.00 -4.35 -0.07 0.00 0.00 0.00 0.00 36.38 31.96 1jkz s VAL 13 CO 0.00 -0.43 0.56 0.00 0.00 0.00 0.00 175.10 175.23 1jkz n PHE 15 N 0.84 0.00 -4.25 0.00 3.01 -1.26 -4.95 117.46 110.85 1jkz n PHE 15 Ca -0.05 0.00 -0.18 0.00 1.01 0.00 0.00 57.45 58.22 1jkz n PHE 15 Cb 0.52 0.01 -0.13 0.00 -0.01 0.00 0.00 39.48 39.87 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 -1.95 1.01 0.41 4.37 -4.23 -1.26 -5.04 115.64 108.96 1jkz s THR 16 Ca 0.00 -1.07 0.21 0.00 -1.18 0.00 0.00 61.69 59.65 1jkz s THR 16 Cb 0.00 -0.95 0.41 0.00 1.34 0.00 0.00 72.50 73.30 1jkz s THR 16 CO 0.00 -0.11 1.77 0.78 -0.54 0.00 0.00 174.62 176.52 1jkz h ASN 17 N 4.73 0.39 -0.04 3.99 4.21 -1.98 0.93 115.58 127.81 1jkz h ASN 17 Ca -0.38 0.08 0.01 0.00 1.21 0.00 0.00 56.30 57.22 1jkz h ASN 17 Cb 1.19 0.02 -0.00 0.00 -1.12 0.00 0.00 38.32 38.40 1jkz h ASN 17 CO 0.43 0.06 0.14 0.00 -1.29 0.00 0.00 177.43 176.77 1jkz h ALA 18 N 1.60 1.29 -0.11 -0.83 0.00 -1.96 -2.67 119.26 116.58 1jkz h ALA 18 Ca 0.60 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.50 1jkz h ALA 18 Cb 1.62 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.41 1jkz h ALA 18 CO -0.27 -0.16 0.06 1.03 0.00 0.00 0.00 179.25 179.90 1jkz h SER 19 N 0.00 0.14 0.41 0.00 0.87 -1.17 -2.45 113.55 111.36 1jkz h SER 19 Ca 0.02 -0.11 -0.31 0.00 -1.23 0.00 0.00 61.79 60.15 1jkz h SER 19 Cb 0.30 -0.04 0.02 0.00 -0.44 0.00 0.00 62.40 62.24 1jkz h SER 19 CO -0.00 0.22 -1.45 0.00 -0.53 0.00 0.00 176.83 175.07 1jkz h ASP 21 N 0.11 -1.45 -0.33 0.00 3.58 -0.94 0.78 116.42 118.17 1jkz h ASP 21 Ca -0.23 0.20 0.07 0.00 0.42 0.00 0.00 57.03 57.49 1jkz h ASP 21 Cb 2.08 0.60 -0.07 0.00 1.72 0.00 0.00 39.33 43.65 1jkz h ASP 21 CO 0.22 -0.42 -0.16 -0.78 -2.88 0.00 0.00 179.24 175.23 1jkz h ASP 22 N -0.45 -0.54 -0.35 2.28 3.58 -1.56 -0.54 116.42 118.84 1jkz h ASP 22 Ca 0.09 0.13 0.06 0.00 0.42 0.00 0.00 57.03 57.72 1jkz h ASP 22 Cb 0.62 0.30 -0.08 0.00 1.72 0.00 0.00 39.33 41.89 1jkz h ASP 22 CO -0.47 -0.20 -0.48 -0.74 -2.88 0.00 0.00 179.24 174.47 1jkz h HIS 23 N -0.11 -1.43 -0.75 0.28 2.76 -0.84 0.42 115.15 115.48 1jkz h HIS 23 Ca 0.17 0.07 0.07 0.00 -2.20 0.00 0.00 60.37 58.48 1jkz h HIS 23 Cb 0.37 0.67 -0.05 0.00 1.55 0.00 0.00 27.41 29.95 1jkz h HIS 23 CO -0.37 -0.47 0.49 0.00 -1.30 0.00 0.00 177.93 176.28 1jkz h LYS 25 N 0.77 0.25 0.03 0.00 1.57 0.32 -2.85 116.57 116.66 1jkz h LYS 25 Ca 0.33 -0.34 -0.31 0.00 -1.87 0.00 0.00 60.65 58.46 1jkz h LYS 25 Cb 0.29 0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.67 1jkz h LYS 25 CO -0.11 1.11 -1.75 -0.91 -0.57 0.00 0.00 179.45 177.21 1jkz h ASN 26 N 0.10 0.11 0.00 0.86 2.35 0.25 -3.38 115.58 115.87 1jkz h ASN 26 Ca -0.09 -0.24 -0.06 0.00 -0.55 0.00 0.00 56.30 55.36 1jkz h ASN 26 Cb 1.76 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 40.08 1jkz h ASN 26 CO 0.17 1.22 -0.74 0.29 -1.65 0.00 0.00 177.43 176.71 1jkz n LYS 27 N -3.17 0.48 -3.80 0.81 4.76 0.26 -4.80 118.16 112.70 1jkz n LYS 27 Ca -0.20 0.52 -0.28 0.00 -2.87 0.00 0.00 58.31 55.47 1jkz n LYS 27 Cb 1.05 -1.69 -0.12 0.00 -1.84 0.00 0.00 35.03 32.43 1jkz n LYS 27 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1jkz s ALA 28 N -2.66 3.08 0.00 7.82 0.00 -1.09 -5.03 121.76 123.88 1jkz s ALA 28 Ca -0.19 -3.32 0.00 0.00 0.00 0.00 0.00 51.96 48.45 1jkz s ALA 28 Cb 0.03 -2.03 0.00 0.00 0.00 0.00 0.00 23.12 21.12 1jkz s ALA 28 CO 0.32 -2.06 0.31 1.58 0.00 0.00 0.00 175.76 175.91 1jkz n HIS 29 N 2.57 0.00 -3.78 0.00 -0.00 -1.13 -4.53 115.22 108.35 1jkz n HIS 29 Ca 0.17 0.00 -0.15 0.00 0.46 0.00 0.00 57.72 58.20 1jkz n HIS 29 Cb 0.36 -0.24 -0.00 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 2.11 0.00 -0.02 0.27 7.99 -1.16 -5.04 117.00 121.15 1jkz n LEU 30 Ca 0.00 -1.58 -0.13 0.00 -0.01 0.00 0.00 56.01 54.29 1jkz n LEU 30 Cb 0.16 0.00 -0.10 0.00 -0.11 0.00 0.00 43.42 43.36 1jkz n LEU 30 CO 0.16 -0.42 0.48 0.16 -1.51 0.00 0.00 177.39 176.26 1jkz h ILE 31 N 0.65 1.41 -3.52 -0.08 3.07 -1.87 -3.43 117.51 113.73 1jkz h ILE 31 Ca -0.19 -1.60 -0.05 0.00 1.55 0.00 0.00 64.86 64.57 1jkz h ILE 31 Cb 0.70 2.44 -0.11 0.00 -0.27 0.00 0.00 36.82 39.58 1jkz h ILE 31 CO 0.31 0.39 -0.09 -0.94 -1.05 0.00 0.00 178.15 176.77 1jkz s SER 32 N -5.85 -0.15 -0.08 2.16 1.04 -1.26 -4.98 113.70 104.59 1jkz s SER 32 Ca -0.16 -0.65 -0.03 0.00 0.48 0.00 0.00 55.95 55.59 1jkz s SER 32 Cb -0.00 0.54 0.04 0.00 0.10 0.00 0.00 66.02 66.69 1jkz s SER 32 CO 0.62 -1.01 0.17 -0.83 0.98 0.00 0.00 173.24 173.17 1jkz s GLY 33 N -2.92 -0.05 0.31 7.32 0.00 -1.26 -1.04 107.32 109.68 1jkz s GLY 33 Ca 0.13 0.74 0.10 0.00 0.00 0.00 0.00 44.72 45.69 1jkz s GLY 33 CO -0.01 1.18 -0.10 -1.59 0.00 0.00 0.00 173.10 172.58 1jkz s THR 34 N 1.39 2.54 -0.16 0.90 2.01 -0.98 -1.50 115.64 119.84 1jkz s THR 34 Ca -0.07 -2.20 -0.19 0.00 0.31 0.00 0.00 61.69 59.54 1jkz s THR 34 Cb -0.11 -2.57 -0.04 0.00 0.01 0.00 0.00 72.50 69.79 1jkz s THR 34 CO -0.07 -0.29 0.53 0.00 -0.69 0.00 0.00 174.62 174.10 1jkz s HIS 36 N 1.22 2.08 -0.27 0.00 3.76 0.17 -4.89 115.29 117.36 1jkz s HIS 36 Ca 0.26 -0.89 -0.03 0.00 -0.15 0.00 0.00 55.06 54.25 1jkz s HIS 36 Cb -0.15 -1.45 0.00 0.00 1.11 0.00 0.00 32.58 32.09 1jkz s HIS 36 CO 0.11 -0.41 0.17 0.27 -0.85 0.00 0.00 174.74 174.03 1jkz n ASN 37 N 3.86 -1.27 -2.01 1.40 2.04 -1.26 0.20 115.26 118.22 1jkz n ASN 37 Ca -0.20 -0.31 -0.21 0.00 -0.44 0.00 0.00 54.58 53.42 1jkz n ASN 37 Cb 0.52 -0.44 -0.05 0.00 -2.53 0.00 0.00 39.78 37.28 1jkz n ASN 37 CO 0.00 0.00 0.00 0.79 -0.44 0.00 0.00 177.26 177.61 1jkz n TRP 38 N -1.43 -0.51 -4.10 -2.53 7.02 -1.26 -4.98 117.44 109.65 1jkz n TRP 38 Ca -0.07 0.00 -0.11 0.00 -1.02 0.00 0.00 57.50 56.30 1jkz n TRP 38 Cb 0.18 -3.74 -0.11 0.00 -2.42 0.00 0.00 31.31 25.22 1jkz n TRP 38 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 1jkz s LYS 39 N -4.42 0.62 -0.31 -0.99 1.02 0.54 -4.27 119.74 111.93 1jkz s LYS 39 Ca 0.00 -0.99 -0.07 0.00 0.02 0.00 0.00 55.97 54.93 1jkz s LYS 39 Cb 0.00 -0.18 0.02 0.00 -0.52 0.00 0.00 37.83 37.15 1jkz s LYS 39 CO 0.00 0.00 0.10 0.00 -0.92 0.00 0.00 175.35 174.53 1jkz s PHE 41 N 1.48 3.02 0.30 0.00 0.40 -1.06 -2.96 117.98 119.15 1jkz s PHE 41 Ca 0.01 0.00 0.08 0.00 -0.60 0.00 0.00 56.93 56.43 1jkz s PHE 41 Cb -0.18 -1.57 -0.04 0.00 0.51 0.00 0.00 43.02 41.74 1jkz s PHE 41 CO 0.03 0.47 0.15 0.00 0.70 0.00 0.00 175.22 176.57 1jkz s THR 43 N -2.30 4.04 0.05 0.00 -4.23 -0.21 -2.64 115.64 110.35 1jkz s THR 43 Ca 0.35 -0.30 0.02 0.00 -1.18 0.00 0.00 61.69 60.59 1jkz s THR 43 Cb -0.06 -2.80 -0.03 0.00 1.34 0.00 0.00 72.50 70.96 1jkz s THR 43 CO 0.23 0.47 -0.08 -1.58 -0.54 0.00 0.00 174.62 173.12 1jkz s GLN 44 N 0.56 0.57 0.08 3.99 0.74 -0.67 -3.75 119.66 121.19 1jkz s GLN 44 Ca -0.01 -0.82 -0.30 0.00 0.05 0.00 0.00 55.36 54.27 1jkz s GLN 44 Cb -0.14 -0.32 -0.06 0.00 1.10 0.00 0.00 33.01 33.60 1jkz s GLN 44 CO 0.02 0.05 1.14 -0.80 -0.55 0.00 0.00 175.29 175.16 1jkz s ASN 45 N -1.72 7.16 0.00 6.67 -0.87 -1.26 -1.27 114.94 123.65 1jkz s ASN 45 Ca -0.08 1.99 0.00 0.00 -1.57 0.00 0.00 52.86 53.20 1jkz s ASN 45 Cb -0.09 -2.58 0.00 0.00 -0.02 0.00 0.00 41.25 38.56 1jkz s ASN 45 CO 0.00 -0.38 0.00 0.00 -2.57 0.00 0.00 177.10 174.15