#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ck4 s VAL 2 N 0.00 4.11 -0.27 1.61 1.01 0.04 -4.91 120.40 121.99 2ck4 s VAL 2 Ca 0.00 -0.04 -0.11 0.00 0.00 0.00 0.00 61.98 61.83 2ck4 s VAL 2 Cb 0.00 -4.76 -0.05 0.00 0.00 0.00 0.00 36.38 31.57 2ck4 s VAL 2 CO 0.00 -1.58 0.18 -0.63 0.00 0.00 0.00 175.10 173.06 2ck4 s ILE 3 N 4.67 5.28 0.14 2.22 -1.09 -1.26 -1.81 121.20 129.34 2ck4 s ILE 3 Ca 0.27 0.16 0.09 0.00 -2.23 0.00 0.00 60.65 58.94 2ck4 s ILE 3 Cb -0.13 -3.50 -0.04 0.00 -1.58 0.00 0.00 42.46 37.21 2ck4 s ILE 3 CO 0.12 0.28 -0.15 0.27 -1.23 0.00 0.00 174.94 174.23 2ck4 s ILE 4 N 1.55 2.95 -0.23 2.92 -4.36 -1.05 -5.02 121.20 117.96 2ck4 s ILE 4 Ca 0.07 -1.57 -0.03 0.00 -0.26 0.00 0.00 60.65 58.86 2ck4 s ILE 4 Cb -0.15 -2.39 0.02 0.00 1.25 0.00 0.00 42.46 41.19 2ck4 s ILE 4 CO 0.09 0.03 2.61 -0.46 0.24 0.00 0.00 174.94 177.44 2ck4 n ASN 5 N 0.53 6.00 -4.63 4.36 6.94 -1.26 -3.14 115.26 124.06 2ck4 n ASN 5 Ca -0.14 -2.86 -0.36 0.00 -0.02 0.00 0.00 54.58 51.21 2ck4 n ASN 5 Cb 0.54 -1.21 -0.10 0.00 -2.36 0.00 0.00 39.78 36.65 2ck4 n ASN 5 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 2ck4 s VAL 6 N -1.13 5.02 -0.07 3.53 1.01 -1.26 -5.02 120.40 122.48 2ck4 s VAL 6 Ca 0.42 0.06 -0.30 0.00 0.00 0.00 0.00 61.98 62.16 2ck4 s VAL 6 Cb 0.26 -3.31 -0.05 0.00 0.00 0.00 0.00 36.38 33.28 2ck4 s VAL 6 CO -0.07 0.39 1.57 -0.75 0.00 0.00 0.00 175.10 176.24 2ck4 s LYS 7 N 0.84 4.20 -1.07 2.72 2.36 -1.26 -3.13 119.74 124.40 2ck4 s LYS 7 Ca 0.06 2.08 -0.19 0.00 -2.55 0.00 0.00 55.97 55.37 2ck4 s LYS 7 Cb -0.13 -3.92 0.11 0.00 -1.05 0.00 0.00 37.83 32.84 2ck4 s LYS 7 CO 0.02 -0.81 1.38 0.00 1.55 0.00 0.00 175.35 177.50 2ck4 h LYS 9 N 8.56 0.00 -2.59 0.00 6.56 -1.91 -3.43 116.57 123.76 2ck4 h LYS 9 Ca 0.25 0.00 0.12 0.00 -1.06 0.00 0.00 60.65 59.95 2ck4 h LYS 9 Cb 0.97 0.00 -0.09 0.00 -0.57 0.00 0.00 32.23 32.54 2ck4 h LYS 9 CO 1.28 0.00 0.38 0.96 -2.06 0.00 0.00 179.45 180.01 2ck4 s ILE 10 N -4.43 0.00 0.24 1.86 -4.36 -1.26 -5.05 121.20 108.21 2ck4 s ILE 10 Ca -0.04 -0.60 -0.02 0.00 -0.26 0.00 0.00 60.65 59.72 2ck4 s ILE 10 Cb 0.13 -1.75 0.08 0.00 1.25 0.00 0.00 42.46 42.17 2ck4 s ILE 10 CO 0.46 0.00 1.70 0.28 0.24 0.00 0.00 174.94 177.62 2ck4 h SER 11 N 2.00 0.74 -0.25 4.36 0.02 -1.85 -2.82 113.55 115.75 2ck4 h SER 11 Ca -0.23 -0.22 0.07 0.00 -0.84 0.00 0.00 61.79 60.57 2ck4 h SER 11 Cb 1.25 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.58 2ck4 h SER 11 CO 0.27 0.88 0.20 0.03 -1.14 0.00 0.00 176.83 177.06 2ck4 h ARG 12 N 0.68 0.00 -0.69 3.45 3.08 -1.97 -1.50 114.38 117.42 2ck4 h ARG 12 Ca 0.11 0.00 0.11 0.00 0.07 0.00 0.00 59.98 60.28 2ck4 h ARG 12 Cb 0.59 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.59 2ck4 h ARG 12 CO 0.04 0.00 0.46 1.96 -1.07 0.00 0.00 179.97 181.36 2ck4 h GLN 13 N 0.00 0.48 0.00 0.04 1.08 -1.85 -2.81 115.11 112.05 2ck4 h GLN 13 Ca 0.12 -0.03 -0.04 0.00 -1.45 0.00 0.00 58.65 57.26 2ck4 h GLN 13 Cb 0.51 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.83 2ck4 h GLN 13 CO -0.00 0.32 -1.61 0.00 -0.95 0.00 0.00 178.83 176.59 2ck4 h LEU 15 N 0.00 0.62 -0.23 0.00 6.46 -1.19 0.18 115.31 121.14 2ck4 h LEU 15 Ca -0.05 -0.44 0.04 0.00 -0.12 0.00 0.00 57.88 57.31 2ck4 h LEU 15 Cb 0.76 -0.18 -0.04 0.00 -0.73 0.00 0.00 40.66 40.47 2ck4 h LEU 15 CO 0.00 1.22 -0.01 0.50 -0.62 0.00 0.00 178.44 179.53 2ck4 h LYS 16 N 0.32 0.06 -0.31 1.25 1.63 -1.75 0.26 116.57 118.03 2ck4 h LYS 16 Ca -0.06 -0.00 -0.11 0.00 -0.85 0.00 0.00 60.65 59.63 2ck4 h LYS 16 Cb 1.45 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 33.05 2ck4 h LYS 16 CO 0.15 0.04 -0.25 -1.35 -3.45 0.00 0.00 179.45 174.59 2ck4 h PRO 17 N 0.06 0.61 0.19 1.90 0.11 -1.79 -2.96 132.00 130.12 2ck4 h PRO 17 Ca 0.11 -0.25 -0.01 0.00 0.11 0.00 0.00 66.00 65.96 2ck4 h PRO 17 Cb 0.14 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.23 2ck4 h PRO 17 CO -0.19 0.81 -0.09 0.00 -0.21 0.00 0.00 178.00 178.32 2ck4 h LYS 19 N -0.81 0.00 -0.12 0.00 3.64 -0.39 0.11 116.57 118.99 2ck4 h LYS 19 Ca -0.03 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.23 2ck4 h LYS 19 Cb 0.52 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 2ck4 h LYS 19 CO 0.04 0.19 -0.46 0.22 -2.27 0.00 0.00 179.45 177.17 2ck4 h ASP 20 N 0.00 0.31 0.31 4.20 3.58 -1.48 -2.55 116.42 120.79 2ck4 h ASP 20 Ca -0.00 -0.14 0.00 0.00 0.42 0.00 0.00 57.03 57.30 2ck4 h ASP 20 Cb 0.47 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.43 2ck4 h ASP 20 CO 0.02 0.73 -0.29 0.00 -2.88 0.00 0.00 179.24 176.82 2ck4 n ALA 21 N -2.48 3.13 0.00 -0.78 0.00 -0.29 -4.94 120.51 115.16 2ck4 n ALA 21 Ca -0.02 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.05 2ck4 n ALA 21 Cb 0.52 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.81 2ck4 n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ck4 n GLY 22 N 1.37 0.85 2.66 0.00 0.00 0.15 -4.97 105.19 105.25 2ck4 n GLY 22 Ca 0.11 -0.81 -0.25 0.00 0.00 0.00 0.00 46.02 45.07 2ck4 n GLY 22 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2ck4 s MET 23 N -1.83 0.23 0.58 1.61 -1.94 0.02 -0.18 119.30 117.80 2ck4 s MET 23 Ca 0.00 -0.10 0.33 0.00 -1.71 0.00 0.00 55.69 54.22 2ck4 s MET 23 Cb 0.00 -1.67 1.75 0.00 2.01 0.00 0.00 34.83 36.92 2ck4 s MET 23 CO 0.00 -0.59 2.16 0.07 -0.01 0.00 0.00 175.02 176.65 2ck4 h ARG 24 N 8.37 0.00 -5.30 2.03 0.11 -0.23 -3.06 114.38 116.29 2ck4 h ARG 24 Ca -0.15 0.00 -0.39 0.00 0.10 0.00 0.00 59.98 59.54 2ck4 h ARG 24 Cb 1.14 0.00 -0.18 0.00 1.11 0.00 0.00 29.97 32.04 2ck4 h ARG 24 CO 0.28 0.05 -0.75 -0.06 0.10 0.00 0.00 179.97 179.60 2ck4 s PHE 25 N -4.15 1.34 -0.36 4.08 0.08 0.25 -4.96 117.98 114.25 2ck4 s PHE 25 Ca -0.03 -0.60 0.02 0.00 0.12 0.00 0.00 56.93 56.45 2ck4 s PHE 25 Cb 0.13 -0.70 0.19 0.00 -0.57 0.00 0.00 43.02 42.06 2ck4 s PHE 25 CO 0.53 0.12 0.75 0.20 -0.10 0.00 0.00 175.22 176.72 2ck4 s GLY 26 N -2.58 -1.30 0.09 4.36 0.00 -1.26 -1.79 107.32 104.83 2ck4 s GLY 26 Ca 0.10 0.75 0.09 0.00 0.00 0.00 0.00 44.72 45.66 2ck4 s GLY 26 CO 0.02 3.85 -0.23 0.54 0.00 0.00 0.00 173.10 177.28 2ck4 s LYS 27 N 2.14 1.34 -0.07 2.90 -0.14 -0.44 -3.99 119.74 121.48 2ck4 s LYS 27 Ca 0.16 -1.14 -0.29 0.00 -1.36 0.00 0.00 55.97 53.34 2ck4 s LYS 27 Cb -0.03 -1.61 -0.02 0.00 -1.68 0.00 0.00 37.83 34.49 2ck4 s LYS 27 CO -0.13 0.39 0.94 0.00 -0.76 0.00 0.00 175.35 175.79 2ck4 s MET 29 N 1.55 0.35 0.00 0.00 -1.94 -0.74 -4.90 119.30 113.61 2ck4 s MET 29 Ca 0.47 -0.45 0.00 0.00 -1.71 0.00 0.00 55.69 54.00 2ck4 s MET 29 Cb -0.19 -1.73 0.00 0.00 2.01 0.00 0.00 34.83 34.92 2ck4 s MET 29 CO 0.21 -0.81 0.00 -1.71 -0.01 0.00 0.00 175.02 172.69 2ck4 n ASN 30 N 5.15 0.00 0.00 3.03 2.85 -1.26 -2.82 115.26 122.20 2ck4 n ASN 30 Ca -0.06 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.41 2ck4 n ASN 30 Cb 0.45 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.47 2ck4 n ASN 30 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2ck4 n GLY 31 N 0.00 0.01 3.98 8.20 0.00 -1.26 -4.99 105.19 111.13 2ck4 n GLY 31 Ca 0.00 -0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.82 2ck4 n GLY 31 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ck4 s LYS 32 N -1.00 3.14 -0.15 1.61 -2.85 -1.13 -1.92 119.74 117.45 2ck4 s LYS 32 Ca 0.00 -0.99 -0.17 0.00 -1.00 0.00 0.00 55.97 53.81 2ck4 s LYS 32 Cb 0.00 -2.81 -0.04 0.00 -2.06 0.00 0.00 37.83 32.92 2ck4 s LYS 32 CO 0.00 0.12 0.45 0.00 0.10 0.00 0.00 175.35 176.01 2ck4 s HIS 34 N 0.87 3.28 -0.12 0.00 0.09 0.22 -2.53 115.29 117.10 2ck4 s HIS 34 Ca 0.23 -1.57 -0.01 0.00 -0.00 0.00 0.00 55.06 53.71 2ck4 s HIS 34 Cb -0.15 -2.32 -0.02 0.00 -0.00 0.00 0.00 32.58 30.09 2ck4 s HIS 34 CO 0.09 -0.76 -0.08 0.00 -0.00 0.00 0.00 174.74 173.99 2ck4 s THR 36 N -0.02 5.14 0.79 0.00 2.01 -0.74 -0.78 115.64 122.04 2ck4 s THR 36 Ca -0.01 0.10 -0.11 0.00 0.31 0.00 0.00 61.69 61.97 2ck4 s THR 36 Cb -0.14 -3.36 0.07 0.00 0.01 0.00 0.00 72.50 69.09 2ck4 s THR 36 CO 0.03 0.41 1.12 -2.84 -0.69 0.00 0.00 174.62 172.65 2ck4 s PRO 37 N 0.67 1.99 0.00 4.92 0.02 -1.26 0.17 135.00 141.51 2ck4 s PRO 37 Ca 0.06 1.36 0.25 0.00 0.02 0.00 0.00 61.00 62.69 2ck4 s PRO 37 Cb -0.13 -1.85 1.49 0.00 0.02 0.00 0.00 34.50 34.03 2ck4 s PRO 37 CO 0.01 -1.87 1.85 1.63 -0.33 0.00 0.00 177.00 178.29