#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 0.18 -0.18 -0.18 -4.23 -1.26 -4.13 115.64 105.83 1jkz s THR 2 Ca 0.00 -1.47 -0.04 0.00 -1.18 0.00 0.00 61.69 59.00 1jkz s THR 2 Cb 0.00 -1.39 -0.02 0.00 1.34 0.00 0.00 72.50 72.42 1jkz s THR 2 CO 0.00 -0.81 -0.03 0.00 -0.54 0.00 0.00 174.62 173.24 1jkz s GLU 4 N 0.76 2.82 -0.04 0.00 2.02 -1.26 -0.19 118.70 122.80 1jkz s GLU 4 Ca -0.01 -0.59 -0.08 0.00 0.02 0.00 0.00 54.97 54.31 1jkz s GLU 4 Cb -0.14 -2.57 0.01 0.00 0.10 0.00 0.00 34.13 31.53 1jkz s GLU 4 CO 0.02 0.59 0.19 -1.01 0.02 0.00 0.00 175.26 175.07 1jkz s HIS 5 N -0.62 -0.13 -0.06 1.61 3.76 0.37 -4.93 115.29 115.29 1jkz s HIS 5 Ca 0.09 0.29 -0.23 0.00 -0.15 0.00 0.00 55.06 55.07 1jkz s HIS 5 Cb -0.11 0.04 -0.04 0.00 1.11 0.00 0.00 32.58 33.57 1jkz s HIS 5 CO 0.02 -0.20 0.68 -1.17 -0.85 0.00 0.00 174.74 173.21 1jkz s LEU 6 N -0.54 4.33 -0.18 0.89 0.20 -1.26 0.93 118.68 123.05 1jkz s LEU 6 Ca -0.06 1.17 -0.19 0.00 0.69 0.00 0.00 54.13 55.74 1jkz s LEU 6 Cb -0.04 -3.05 -0.03 0.00 -0.43 0.00 0.00 46.19 42.64 1jkz s LEU 6 CO 0.01 -0.07 0.56 0.00 -0.29 0.00 0.00 176.35 176.55 1jkz s ALA 7 N 0.62 3.52 -0.96 5.97 0.00 -0.90 -4.95 121.76 125.05 1jkz s ALA 7 Ca 0.36 -0.29 0.14 0.00 0.00 0.00 0.00 51.96 52.17 1jkz s ALA 7 Cb -0.18 -2.84 0.60 0.00 0.00 0.00 0.00 23.12 20.70 1jkz s ALA 7 CO 0.18 -0.38 1.45 -0.25 0.00 0.00 0.00 175.76 176.75 1jkz n ASP 8 N 4.62 0.04 -3.24 0.00 9.92 -1.26 -3.48 116.55 123.16 1jkz n ASP 8 Ca -0.04 0.51 -0.37 0.00 -0.53 0.00 0.00 54.79 54.36 1jkz n ASP 8 Cb 0.50 -0.52 0.01 0.00 -0.64 0.00 0.00 41.12 40.47 1jkz n ASP 8 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 1jkz n THR 9 N -1.55 4.63 -4.13 -3.53 -1.04 -1.26 -4.98 114.28 102.41 1jkz n THR 9 Ca 0.03 -5.43 -0.27 0.00 -2.04 0.00 0.00 64.05 56.34 1jkz n THR 9 Cb 0.16 -1.42 -0.07 0.00 -1.82 0.00 0.00 70.33 67.18 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 3.02 -0.20 -1.42 5.04 -1.23 -5.04 117.35 113.48 1jkz s TYR 10 Ca 0.45 -0.06 -0.04 0.00 -2.44 0.00 0.00 57.07 54.98 1jkz s TYR 10 Cb 0.28 -1.47 -0.02 0.00 0.35 0.00 0.00 41.96 41.11 1jkz s TYR 10 CO -0.20 0.51 -0.04 -0.98 -1.34 0.00 0.00 175.55 173.51 1jkz s ARG 11 N -2.91 3.47 1.92 4.97 1.70 -1.26 -5.05 118.95 121.79 1jkz s ARG 11 Ca 0.29 -0.59 0.00 0.00 -0.47 0.00 0.00 55.73 54.96 1jkz s ARG 11 Cb -0.10 -3.00 0.00 0.00 -0.57 0.00 0.00 34.95 31.28 1jkz s ARG 11 CO 0.21 -0.07 0.00 0.41 -1.08 0.00 0.00 175.30 174.77 1jkz n GLY 12 N 4.45 -0.36 3.90 3.88 0.00 -1.26 -4.81 105.19 111.00 1jkz n GLY 12 Ca -0.18 -0.84 -0.29 0.00 0.00 0.00 0.00 46.02 44.71 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 5.03 -0.01 1.61 1.01 -1.26 -4.96 120.40 121.82 1jkz s VAL 13 Ca 0.00 0.05 -0.16 0.00 0.00 0.00 0.00 61.98 61.87 1jkz s VAL 13 Cb 0.00 -3.73 -0.06 0.00 0.00 0.00 0.00 36.38 32.60 1jkz s VAL 13 CO 0.00 -0.30 0.45 0.00 0.00 0.00 0.00 175.10 175.25 1jkz n PHE 15 N 2.14 0.00 -4.39 0.00 3.01 -1.26 -4.90 117.46 112.07 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 0.52 -0.08 -0.13 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 1.12 0.39 4.37 -4.23 -1.26 -5.04 115.64 108.96 1jkz s THR 16 Ca -0.02 -0.97 0.22 0.00 -1.18 0.00 0.00 61.69 59.75 1jkz s THR 16 Cb 0.01 -1.01 0.41 0.00 1.34 0.00 0.00 72.50 73.24 1jkz s THR 16 CO 0.06 0.04 1.66 0.78 -0.54 0.00 0.00 174.62 176.62 1jkz h ASN 17 N 5.01 0.38 0.04 3.99 4.21 -1.97 0.26 115.58 127.49 1jkz h ASN 17 Ca -0.38 0.15 -0.00 0.00 1.21 0.00 0.00 56.30 57.28 1jkz h ASN 17 Cb 1.18 0.12 -0.00 0.00 -1.12 0.00 0.00 38.32 38.49 1jkz h ASN 17 CO 0.44 -0.13 -0.01 0.00 -1.29 0.00 0.00 177.43 176.44 1jkz h ALA 18 N 1.71 1.36 -0.57 -0.83 0.00 -1.96 -2.81 119.26 116.15 1jkz h ALA 18 Ca 0.75 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.62 1jkz h ALA 18 Cb 2.06 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.82 1jkz h ALA 18 CO -0.48 0.01 0.23 1.03 0.00 0.00 0.00 179.25 180.04 1jkz h SER 19 N 0.00 0.79 0.25 0.00 0.87 -0.82 -2.83 113.55 111.81 1jkz h SER 19 Ca -0.00 -0.17 -0.34 0.00 -1.23 0.00 0.00 61.79 60.05 1jkz h SER 19 Cb 0.03 -0.21 0.03 0.00 -0.44 0.00 0.00 62.40 61.82 1jkz h SER 19 CO 0.00 0.75 -1.53 0.00 -0.53 0.00 0.00 176.83 175.52 1jkz h ASP 21 N 0.14 -0.31 -0.43 0.00 3.58 -0.24 1.47 116.42 120.63 1jkz h ASP 21 Ca -0.27 0.03 0.08 0.00 0.42 0.00 0.00 57.03 57.29 1jkz h ASP 21 Cb 2.17 0.11 -0.09 0.00 1.72 0.00 0.00 39.33 43.24 1jkz h ASP 21 CO 0.26 -0.11 -0.34 -0.78 -2.88 0.00 0.00 179.24 175.39 1jkz h ASP 22 N -0.15 -1.15 -0.32 2.28 1.82 -1.68 0.18 116.42 117.40 1jkz h ASP 22 Ca -0.00 0.20 0.04 0.00 -0.39 0.00 0.00 57.03 56.88 1jkz h ASP 22 Cb 0.15 0.54 -0.07 0.00 0.68 0.00 0.00 39.33 40.62 1jkz h ASP 22 CO -0.06 -0.33 -0.52 -0.74 -1.61 0.00 0.00 179.24 175.98 1jkz h HIS 23 N -0.25 -1.59 0.08 0.28 2.76 -1.34 0.42 115.15 115.52 1jkz h HIS 23 Ca 0.18 0.07 0.02 0.00 -2.20 0.00 0.00 60.37 58.44 1jkz h HIS 23 Cb 0.55 0.74 -0.04 0.00 1.55 0.00 0.00 27.41 30.21 1jkz h HIS 23 CO -0.57 -0.48 -0.28 0.00 -1.30 0.00 0.00 177.93 175.31 1jkz h LYS 25 N -0.47 0.96 0.08 0.00 1.57 -0.16 0.32 116.57 118.86 1jkz h LYS 25 Ca 0.04 -0.06 -0.29 0.00 -1.87 0.00 0.00 60.65 58.47 1jkz h LYS 25 Cb 0.52 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 1jkz h LYS 25 CO -0.18 0.63 -1.51 -0.91 -0.57 0.00 0.00 179.45 176.91 1jkz h ASN 26 N 0.99 0.27 0.00 0.86 2.35 0.16 -3.30 115.58 116.91 1jkz h ASN 26 Ca 0.41 -0.40 -0.08 0.00 -0.55 0.00 0.00 56.30 55.68 1jkz h ASN 26 Cb 0.24 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.51 1jkz h ASN 26 CO -0.20 1.33 -0.47 0.11 -1.65 0.00 0.00 177.43 176.56 1jkz h LYS 27 N 0.05 0.00 -2.97 0.81 1.79 0.18 -3.42 116.57 113.00 1jkz h LYS 27 Ca -0.23 0.00 -0.62 0.00 -2.18 0.00 0.00 60.65 57.63 1jkz h LYS 27 Cb 1.98 0.00 -0.41 0.00 -1.58 0.00 0.00 32.23 32.23 1jkz h LYS 27 CO 0.14 0.87 -0.69 0.00 -1.08 0.00 0.00 179.45 178.69 1jkz s ALA 28 N -2.32 2.94 0.00 3.86 0.00 0.11 -5.02 121.76 121.32 1jkz s ALA 28 Ca -0.21 -3.24 0.00 0.00 0.00 0.00 0.00 51.96 48.52 1jkz s ALA 28 Cb 0.01 -2.00 0.00 0.00 0.00 0.00 0.00 23.12 21.13 1jkz s ALA 28 CO 0.58 -2.06 0.26 1.58 0.00 0.00 0.00 175.76 176.12 1jkz n HIS 29 N 2.63 0.00 -4.44 0.00 -0.00 -1.22 -4.43 115.22 107.76 1jkz n HIS 29 Ca 0.17 0.00 -0.19 0.00 0.46 0.00 0.00 57.72 58.16 1jkz n HIS 29 Cb 0.37 -0.17 -0.04 0.00 -0.12 0.00 0.00 29.99 30.03 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 1.47 0.00 -0.03 0.27 4.32 -1.25 -5.04 117.00 116.74 1jkz n LEU 30 Ca 0.00 -1.93 -0.20 0.00 -0.02 0.00 0.00 56.01 53.86 1jkz n LEU 30 Cb 0.13 0.28 -0.13 0.00 -1.62 0.00 0.00 43.42 42.08 1jkz n LEU 30 CO 0.13 -0.28 -0.21 0.16 -1.22 0.00 0.00 177.39 175.97 1jkz h ILE 31 N 1.20 1.23 -3.78 -0.08 3.07 -1.86 -3.41 117.51 113.87 1jkz h ILE 31 Ca -0.25 -2.36 -0.10 0.00 1.55 0.00 0.00 64.86 63.70 1jkz h ILE 31 Cb 0.77 2.82 -0.15 0.00 -0.27 0.00 0.00 36.82 39.99 1jkz h ILE 31 CO 0.41 0.60 -0.42 -0.55 -1.05 0.00 0.00 178.15 177.14 1jkz s SER 32 N -6.81 0.14 -0.21 2.16 0.15 -1.26 -4.92 113.70 102.96 1jkz s SER 32 Ca -0.21 -0.60 -0.04 0.00 0.70 0.00 0.00 55.95 55.81 1jkz s SER 32 Cb 0.03 0.30 0.09 0.00 -1.71 0.00 0.00 66.02 64.73 1jkz s SER 32 CO 0.72 -0.65 0.21 -0.83 1.20 0.00 0.00 173.24 173.90 1jkz s GLY 33 N -2.58 0.03 0.22 9.45 0.00 -1.26 -1.50 107.32 111.67 1jkz s GLY 33 Ca 0.01 0.17 0.05 0.00 0.00 0.00 0.00 44.72 44.96 1jkz s GLY 33 CO -0.08 2.15 0.25 -1.59 0.00 0.00 0.00 173.10 173.82 1jkz s THR 34 N 2.31 4.83 -0.00 0.90 2.01 -0.76 -0.05 115.64 124.88 1jkz s THR 34 Ca 0.07 -1.11 -0.16 0.00 0.31 0.00 0.00 61.69 60.79 1jkz s THR 34 Cb -0.16 -3.57 -0.06 0.00 0.01 0.00 0.00 72.50 68.72 1jkz s THR 34 CO -0.13 -0.26 0.45 0.00 -0.69 0.00 0.00 174.62 173.98 1jkz s HIS 36 N -0.84 1.56 0.00 0.00 3.76 -0.06 -4.95 115.29 114.76 1jkz s HIS 36 Ca 0.25 -0.89 0.00 0.00 -0.15 0.00 0.00 55.06 54.27 1jkz s HIS 36 Cb -0.17 -1.26 0.00 0.00 1.11 0.00 0.00 32.58 32.26 1jkz s HIS 36 CO 0.14 -0.56 0.00 0.09 -0.85 0.00 0.00 174.74 173.56 1jkz n ASN 37 N 4.92 0.00 -0.55 1.40 3.02 -1.26 -0.54 115.26 122.25 1jkz n ASN 37 Ca -0.12 0.00 -0.00 0.00 -0.03 0.00 0.00 54.58 54.43 1jkz n ASN 37 Cb 0.49 0.00 -0.00 0.00 -0.61 0.00 0.00 39.78 39.66 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 -4.44 3.10 7.02 -1.26 -4.94 117.44 116.92 1jkz n TRP 38 Ca 0.00 -0.04 -0.24 0.00 -1.02 0.00 0.00 57.50 56.20 1jkz n TRP 38 Cb 0.00 0.15 -0.08 0.00 -2.42 0.00 0.00 31.31 28.96 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 0.00 1.93 -0.15 -0.99 1.02 0.30 -4.08 119.74 117.77 1jkz s LYS 39 Ca 0.01 -2.17 0.00 0.00 0.02 0.00 0.00 55.97 53.83 1jkz s LYS 39 Cb 0.01 -0.21 -0.00 0.00 -0.52 0.00 0.00 37.83 37.10 1jkz s LYS 39 CO -0.00 -0.59 -0.16 0.00 -0.92 0.00 0.00 175.35 173.68 1jkz s PHE 41 N 0.80 2.69 -0.04 0.00 0.40 -0.65 -2.11 117.98 119.06 1jkz s PHE 41 Ca -0.06 -0.62 0.00 0.00 -0.60 0.00 0.00 56.93 55.65 1jkz s PHE 41 Cb -0.15 -1.74 -0.03 0.00 0.51 0.00 0.00 43.02 41.60 1jkz s PHE 41 CO 0.00 -0.16 -0.00 0.00 0.70 0.00 0.00 175.22 175.75 1jkz s THR 43 N -0.99 3.98 0.03 0.00 -1.32 -0.56 -0.48 115.64 116.30 1jkz s THR 43 Ca 0.17 -0.33 0.05 0.00 -1.21 0.00 0.00 61.69 60.36 1jkz s THR 43 Cb -0.11 -2.74 -0.02 0.00 -1.51 0.00 0.00 72.50 68.12 1jkz s THR 43 CO 0.06 0.51 -0.15 -1.58 -2.21 0.00 0.00 174.62 171.25 1jkz s GLN 44 N 0.20 1.04 0.27 7.08 0.74 0.73 -3.74 119.66 125.98 1jkz s GLN 44 Ca -0.01 -0.72 -0.30 0.00 0.05 0.00 0.00 55.36 54.37 1jkz s GLN 44 Cb -0.14 -1.05 -0.11 0.00 1.10 0.00 0.00 33.01 32.81 1jkz s GLN 44 CO 0.03 0.27 1.61 -0.80 -0.55 0.00 0.00 175.29 175.84 1jkz s ASN 45 N -0.95 6.40 0.00 6.67 0.01 -1.26 -1.20 114.94 124.61 1jkz s ASN 45 Ca 0.03 2.90 0.00 0.00 -0.71 0.00 0.00 52.86 55.08 1jkz s ASN 45 Cb -0.07 -2.63 0.00 0.00 0.41 0.00 0.00 41.25 38.96 1jkz s ASN 45 CO 0.01 -0.91 0.00 0.00 -1.51 0.00 0.00 177.10 174.69