#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 1.34 -0.02 0.58 -4.23 -1.26 -2.01 115.64 110.04 1jkz s THR 2 Ca 0.00 -1.41 0.06 0.00 -1.18 0.00 0.00 61.69 59.16 1jkz s THR 2 Cb 0.00 -1.27 -0.02 0.00 1.34 0.00 0.00 72.50 72.55 1jkz s THR 2 CO 0.00 -0.17 -0.21 0.00 -0.54 0.00 0.00 174.62 173.70 1jkz s GLU 4 N -0.82 2.75 -0.01 0.00 2.02 -1.26 -1.87 118.70 119.51 1jkz s GLU 4 Ca 0.11 -0.57 -0.02 0.00 0.02 0.00 0.00 54.97 54.52 1jkz s GLU 4 Cb -0.10 -2.57 -0.00 0.00 0.10 0.00 0.00 34.13 31.56 1jkz s GLU 4 CO 0.01 0.64 0.04 -1.01 0.02 0.00 0.00 175.26 174.96 1jkz s HIS 5 N -0.75 0.01 -0.21 1.61 3.76 -1.17 -4.94 115.29 113.60 1jkz s HIS 5 Ca 0.11 -0.02 -0.19 0.00 -0.15 0.00 0.00 55.06 54.81 1jkz s HIS 5 Cb -0.11 -0.03 -0.03 0.00 1.11 0.00 0.00 32.58 33.53 1jkz s HIS 5 CO 0.01 -0.08 0.57 -1.17 -0.85 0.00 0.00 174.74 173.23 1jkz s LEU 6 N -0.36 4.12 -0.03 0.89 1.98 -1.26 -1.54 118.68 122.48 1jkz s LEU 6 Ca -0.04 0.72 -0.29 0.00 -2.89 0.00 0.00 54.13 51.63 1jkz s LEU 6 Cb -0.03 -2.79 -0.03 0.00 0.66 0.00 0.00 46.19 44.01 1jkz s LEU 6 CO -0.00 -0.25 0.92 0.00 -1.89 0.00 0.00 176.35 175.13 1jkz s ALA 7 N 1.94 3.22 -0.07 5.97 0.00 -1.20 -4.95 121.76 126.68 1jkz s ALA 7 Ca 0.26 0.43 0.00 0.00 0.00 0.00 0.00 51.96 52.65 1jkz s ALA 7 Cb -0.16 -3.27 0.08 0.00 0.00 0.00 0.00 23.12 19.77 1jkz s ALA 7 CO 0.10 -0.25 1.46 -0.25 0.00 0.00 0.00 175.76 176.82 1jkz n ASP 8 N 4.01 4.08 -0.01 0.00 9.92 -1.26 -3.63 116.55 129.65 1jkz n ASP 8 Ca 0.05 -2.36 -0.02 0.00 -0.53 0.00 0.00 54.79 51.93 1jkz n ASP 8 Cb 0.51 -0.76 -0.02 0.00 -0.64 0.00 0.00 41.12 40.21 1jkz n ASP 8 CO 0.00 0.00 0.00 1.07 0.13 0.00 0.00 177.20 178.40 1jkz n THR 9 N 0.63 0.18 -3.85 -3.53 5.66 -1.26 -4.99 114.28 107.11 1jkz n THR 9 Ca 0.08 -0.08 -0.28 0.00 -3.05 0.00 0.00 64.05 60.73 1jkz n THR 9 Cb 0.60 -0.69 -0.16 0.00 -1.55 0.00 0.00 70.33 68.53 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 -2.06 1.55 -0.32 1.09 5.04 -1.24 -5.09 117.35 116.32 1jkz s TYR 10 Ca -0.03 -1.02 0.01 0.00 -2.44 0.00 0.00 57.07 53.58 1jkz s TYR 10 Cb 0.01 -1.24 0.15 0.00 0.35 0.00 0.00 41.96 41.23 1jkz s TYR 10 CO 0.08 -0.60 0.33 1.03 -1.34 0.00 0.00 175.55 175.05 1jkz s ARG 11 N 1.68 0.45 0.13 4.97 0.52 -1.26 -4.61 118.95 120.83 1jkz s ARG 11 Ca 0.00 -0.38 0.03 0.00 -0.52 0.00 0.00 55.73 54.87 1jkz s ARG 11 Cb -0.16 -0.65 -0.01 0.00 0.52 0.00 0.00 34.95 34.65 1jkz s ARG 11 CO -0.07 -1.09 0.11 0.41 0.02 0.00 0.00 175.30 174.68 1jkz n GLY 12 N 4.93 3.58 3.68 -3.53 0.00 -1.26 -5.08 105.19 107.50 1jkz n GLY 12 Ca 0.03 -1.76 -0.42 0.00 0.00 0.00 0.00 46.02 43.86 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 -2.54 3.63 0.15 1.61 1.01 -1.26 -4.48 120.40 118.51 1jkz s VAL 13 Ca 0.16 0.92 -0.17 0.00 0.00 0.00 0.00 61.98 62.90 1jkz s VAL 13 Cb 0.01 -3.59 -0.07 0.00 0.00 0.00 0.00 36.38 32.72 1jkz s VAL 13 CO 0.11 -0.04 0.59 0.00 0.00 0.00 0.00 175.10 175.77 1jkz n PHE 15 N 0.99 0.00 -4.19 0.00 3.01 -1.26 -4.95 117.46 111.05 1jkz n PHE 15 Ca -0.06 0.00 -0.17 0.00 1.01 0.00 0.00 57.45 58.24 1jkz n PHE 15 Cb 0.51 0.01 -0.11 0.00 -0.01 0.00 0.00 39.48 39.88 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 -1.83 1.10 0.63 4.37 -4.23 -1.26 -5.04 115.64 109.38 1jkz s THR 16 Ca 0.00 -1.53 0.35 0.00 -1.18 0.00 0.00 61.69 59.33 1jkz s THR 16 Cb 0.00 -1.29 0.39 0.00 1.34 0.00 0.00 72.50 72.94 1jkz s THR 16 CO 0.00 -0.40 2.24 0.78 -0.54 0.00 0.00 174.62 176.70 1jkz h ASN 17 N 3.83 0.00 0.90 3.99 2.35 -1.98 -2.04 115.58 122.63 1jkz h ASN 17 Ca -0.39 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.36 1jkz h ASN 17 Cb 1.19 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.56 1jkz h ASN 17 CO 0.47 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 176.25 1jkz h ALA 18 N 1.89 1.00 0.14 -0.83 0.00 -1.96 -3.09 119.26 116.41 1jkz h ALA 18 Ca 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1jkz h ALA 18 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1jkz h ALA 18 CO -0.00 0.00 -0.07 0.66 0.00 0.00 0.00 179.25 179.84 1jkz h SER 19 N 0.00 -0.16 -0.22 0.00 4.64 -1.74 -2.51 113.55 113.55 1jkz h SER 19 Ca 0.00 -0.28 -0.16 0.00 -0.47 0.00 0.00 61.79 60.88 1jkz h SER 19 Cb 0.45 0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 1jkz h SER 19 CO 0.00 0.21 -0.50 0.00 -0.87 0.00 0.00 176.83 175.67 1jkz h ASP 21 N 0.46 -1.34 -0.26 0.00 3.58 -1.38 0.92 116.42 118.40 1jkz h ASP 21 Ca 0.00 0.17 0.06 0.00 0.42 0.00 0.00 57.03 57.68 1jkz h ASP 21 Cb 1.11 0.53 -0.07 0.00 1.72 0.00 0.00 39.33 42.63 1jkz h ASP 21 CO 0.11 -0.44 -0.17 -0.78 -2.88 0.00 0.00 179.24 175.07 1jkz h ASP 22 N -0.53 -0.57 -0.52 2.28 1.82 -1.48 0.36 116.42 117.79 1jkz h ASP 22 Ca 0.06 0.12 0.08 0.00 -0.39 0.00 0.00 57.03 56.90 1jkz h ASP 22 Cb 0.64 0.29 -0.10 0.00 0.68 0.00 0.00 39.33 40.84 1jkz h ASP 22 CO -0.37 -0.21 -0.44 -0.74 -1.61 0.00 0.00 179.24 175.87 1jkz h HIS 23 N -0.16 -1.29 -0.17 0.28 2.76 -0.41 0.51 115.15 116.67 1jkz h HIS 23 Ca 0.14 0.08 0.03 0.00 -2.20 0.00 0.00 60.37 58.42 1jkz h HIS 23 Cb 0.37 0.64 -0.03 0.00 1.55 0.00 0.00 27.41 29.94 1jkz h HIS 23 CO -0.35 -0.43 -0.00 0.00 -1.30 0.00 0.00 177.93 175.85 1jkz h LYS 25 N 0.05 0.97 0.00 0.00 2.10 0.89 -0.87 116.57 119.71 1jkz h LYS 25 Ca 0.08 -0.17 -0.26 0.00 -2.00 0.00 0.00 60.65 58.30 1jkz h LYS 25 Cb 0.10 -0.16 -0.05 0.00 -0.90 0.00 0.00 32.23 31.23 1jkz h LYS 25 CO -0.14 0.81 -1.68 0.09 -2.00 0.00 0.00 179.45 176.54 1jkz n ASN 26 N -4.29 0.81 -0.12 7.07 3.02 0.17 -4.25 115.26 117.66 1jkz n ASN 26 Ca 0.06 0.38 -0.25 0.00 -0.03 0.00 0.00 54.58 54.73 1jkz n ASN 26 Cb 0.19 0.07 -0.10 0.00 -0.61 0.00 0.00 39.78 39.33 1jkz n ASN 26 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1jkz n LYS 27 N -2.98 0.57 -3.69 3.52 4.76 0.50 -4.82 118.16 116.02 1jkz n LYS 27 Ca -0.16 0.39 -0.28 0.00 -2.87 0.00 0.00 58.31 55.39 1jkz n LYS 27 Cb 1.00 -1.59 -0.12 0.00 -1.84 0.00 0.00 35.03 32.48 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 -2.48 2.47 0.00 7.82 0.00 -0.35 -5.03 121.76 124.19 1jkz s ALA 28 Ca -0.34 -2.93 0.00 0.00 0.00 0.00 0.00 51.96 48.69 1jkz s ALA 28 Cb 0.11 -1.90 0.00 0.00 0.00 0.00 0.00 23.12 21.32 1jkz s ALA 28 CO 0.52 -2.05 0.47 1.58 0.00 0.00 0.00 175.76 176.28 1jkz n HIS 29 N 2.91 0.00 -3.19 0.00 -0.00 -1.11 -4.48 115.22 109.36 1jkz n HIS 29 Ca 0.17 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.35 1jkz n HIS 29 Cb 0.38 -0.36 0.00 0.00 -0.12 0.00 0.00 29.99 29.88 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 3.19 0.00 -0.02 0.27 7.99 -1.25 -5.05 117.00 122.12 1jkz n LEU 30 Ca 0.00 0.00 -0.19 0.00 -0.01 0.00 0.00 56.01 55.81 1jkz n LEU 30 Cb 0.23 0.00 -0.13 0.00 -0.11 0.00 0.00 43.42 43.41 1jkz n LEU 30 CO 0.23 -0.20 -0.11 0.16 -1.51 0.00 0.00 177.39 175.97 1jkz h ILE 31 N 0.34 1.33 -2.09 -0.08 3.07 -1.87 -3.45 117.51 114.76 1jkz h ILE 31 Ca 0.00 -2.38 -0.06 0.00 1.55 0.00 0.00 64.86 63.96 1jkz h ILE 31 Cb 0.00 2.93 -0.19 0.00 -0.27 0.00 0.00 36.82 39.29 1jkz h ILE 31 CO 0.00 0.62 0.14 -0.44 -1.05 0.00 0.00 178.15 177.42 1jkz s SER 32 N -6.77 -0.63 -0.03 2.16 0.01 -1.26 -5.03 113.70 102.15 1jkz s SER 32 Ca -0.20 0.78 0.03 0.00 1.31 0.00 0.00 55.95 57.88 1jkz s SER 32 Cb 0.02 0.66 -0.00 0.00 0.21 0.00 0.00 66.02 66.91 1jkz s SER 32 CO 0.73 -0.54 -0.12 -0.83 0.41 0.00 0.00 173.24 172.89 1jkz s GLY 33 N -0.95 0.67 0.32 3.44 0.00 -1.26 -0.89 107.32 108.65 1jkz s GLY 33 Ca -0.09 -0.47 0.06 0.00 0.00 0.00 0.00 44.72 44.22 1jkz s GLY 33 CO 0.08 -0.21 -0.03 -1.08 0.00 0.00 0.00 173.10 171.86 1jkz s THR 34 N 0.09 1.69 -0.13 0.90 -1.32 -1.02 -2.39 115.64 113.44 1jkz s THR 34 Ca -0.02 -2.09 -0.17 0.00 -1.21 0.00 0.00 61.69 58.19 1jkz s THR 34 Cb -0.09 -2.62 -0.04 0.00 -1.51 0.00 0.00 72.50 68.24 1jkz s THR 34 CO 0.01 -0.19 0.43 0.00 -2.21 0.00 0.00 174.62 172.66 1jkz n HIS 36 N 3.69 3.80 0.00 0.00 8.25 0.29 -4.92 115.22 126.34 1jkz n HIS 36 Ca -0.08 -3.85 0.00 0.00 -0.26 0.00 0.00 57.72 53.53 1jkz n HIS 36 Cb 0.52 -1.07 0.00 0.00 1.12 0.00 0.00 29.99 30.55 1jkz n HIS 36 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1jkz n ASN 37 N 1.85 0.00 -0.02 0.41 3.02 -1.26 -2.57 115.26 116.69 1jkz n ASN 37 Ca 0.24 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.79 1jkz n ASN 37 Cb 0.37 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.54 1jkz n ASN 37 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 1jkz n TRP 38 N 0.00 0.00 -4.30 3.10 7.02 -1.26 -4.41 117.44 117.59 1jkz n TRP 38 Ca 0.00 -0.11 -0.24 0.00 -1.02 0.00 0.00 57.50 56.13 1jkz n TRP 38 Cb 0.00 -0.01 -0.12 0.00 -2.42 0.00 0.00 31.31 28.75 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 -0.22 1.16 -0.33 -0.99 1.02 -1.06 -4.34 119.74 114.97 1jkz s LYS 39 Ca 0.00 -1.20 -0.09 0.00 0.02 0.00 0.00 55.97 54.70 1jkz s LYS 39 Cb 0.00 -1.42 0.01 0.00 -0.52 0.00 0.00 37.83 35.91 1jkz s LYS 39 CO 0.00 0.33 0.14 0.00 -0.92 0.00 0.00 175.35 174.90 1jkz s PHE 41 N 1.54 2.95 0.34 0.00 0.40 -1.13 -3.21 117.98 118.88 1jkz s PHE 41 Ca 0.02 -0.07 0.08 0.00 -0.60 0.00 0.00 56.93 56.37 1jkz s PHE 41 Cb -0.18 -1.47 -0.04 0.00 0.51 0.00 0.00 43.02 41.84 1jkz s PHE 41 CO 0.05 0.50 0.13 0.00 0.70 0.00 0.00 175.22 176.60 1jkz s THR 43 N -2.45 4.18 -0.02 0.00 -4.23 -0.06 -3.04 115.64 110.03 1jkz s THR 43 Ca 0.37 -0.28 -0.06 0.00 -1.18 0.00 0.00 61.69 60.54 1jkz s THR 43 Cb -0.02 -2.79 0.01 0.00 1.34 0.00 0.00 72.50 71.04 1jkz s THR 43 CO 0.22 0.56 0.14 -1.58 -0.54 0.00 0.00 174.62 173.42 1jkz s GLN 44 N -0.39 0.37 0.31 3.99 0.74 -0.78 -3.77 119.66 120.13 1jkz s GLN 44 Ca 0.07 -0.19 -0.29 0.00 0.05 0.00 0.00 55.36 55.00 1jkz s GLN 44 Cb -0.12 0.16 -0.10 0.00 1.10 0.00 0.00 33.01 34.05 1jkz s GLN 44 CO 0.02 -0.08 1.31 -0.80 -0.55 0.00 0.00 175.29 175.19 1jkz s ASN 45 N -0.87 6.80 0.00 6.67 0.01 -1.26 -0.32 114.94 125.96 1jkz s ASN 45 Ca -0.10 2.64 0.00 0.00 -0.71 0.00 0.00 52.86 54.69 1jkz s ASN 45 Cb -0.05 -2.64 0.00 0.00 0.41 0.00 0.00 41.25 38.96 1jkz s ASN 45 CO 0.01 -0.52 0.00 0.00 -1.51 0.00 0.00 177.10 175.08