#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sis n MET 3 N -4.51 0.00 -2.39 0.00 0.00 -1.16 -5.04 117.12 104.02 1sis n MET 3 Ca -0.23 0.00 -0.28 0.00 0.00 0.00 0.00 57.70 57.19 1sis n MET 3 Cb 0.59 0.00 0.01 0.00 0.00 0.00 0.00 33.22 33.82 1sis n MET 3 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 1sis s PRO 4 N -0.75 3.30 -0.06 3.17 0.04 -1.26 -0.96 135.00 138.48 1sis s PRO 4 Ca 0.00 0.23 0.05 0.00 0.04 0.00 0.00 61.00 61.32 1sis s PRO 4 Cb 0.00 -2.27 -0.02 0.00 0.04 0.00 0.00 34.50 32.25 1sis s PRO 4 CO 0.00 -0.48 -0.20 0.00 0.04 0.00 0.00 177.00 176.37 1sis s PHE 6 N -0.37 1.83 0.00 0.00 0.08 -1.26 -4.47 117.98 113.79 1sis s PHE 6 Ca 0.03 -2.09 0.00 0.00 0.12 0.00 0.00 56.93 54.99 1sis s PHE 6 Cb -0.12 -1.78 0.00 0.00 -0.57 0.00 0.00 43.02 40.55 1sis s PHE 6 CO 0.02 -0.83 1.09 0.25 -0.10 0.00 0.00 175.22 175.65 1sis n THR 7 N 4.17 1.09 -0.09 0.64 -2.24 -1.26 -3.31 114.28 113.27 1sis n THR 7 Ca 0.04 -0.24 -0.21 0.00 -2.27 0.00 0.00 64.05 61.38 1sis n THR 7 Cb 0.38 -1.20 -0.12 0.00 -2.10 0.00 0.00 70.33 67.29 1sis n THR 7 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1sis n THR 8 N 1.48 1.58 -3.40 4.28 5.66 -1.26 -4.95 114.28 117.67 1sis n THR 8 Ca 0.00 -0.54 -0.38 0.00 -3.05 0.00 0.00 64.05 60.08 1sis n THR 8 Cb 0.31 -1.59 -0.07 0.00 -1.55 0.00 0.00 70.33 67.42 1sis n THR 8 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1sis s ASP 9 N -6.79 6.47 0.01 1.09 2.15 -1.21 -4.96 116.67 113.42 1sis s ASP 9 Ca -0.32 0.55 0.04 0.00 0.43 0.00 0.00 52.55 53.25 1sis s ASP 9 Cb 0.09 -2.23 0.16 0.00 -0.30 0.00 0.00 42.92 40.64 1sis s ASP 9 CO 0.63 -0.04 1.12 -0.81 -0.17 0.00 0.00 175.17 175.90 1sis n PRO 10 N 4.26 0.01 -0.00 4.34 -0.04 -1.26 -1.69 135.00 140.61 1sis n PRO 10 Ca -0.09 0.45 0.05 0.00 -0.04 0.00 0.00 63.50 63.88 1sis n PRO 10 Cb 0.51 -1.52 -0.07 0.00 -0.04 0.00 0.00 33.50 32.39 1sis n PRO 10 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1sis n ASN 11 N -1.53 0.56 -0.03 3.54 5.15 -1.26 -4.56 115.26 117.14 1sis n ASN 11 Ca 0.01 -0.77 0.12 0.00 -0.60 0.00 0.00 54.58 53.34 1sis n ASN 11 Cb 0.04 1.00 0.54 0.00 -0.53 0.00 0.00 39.78 40.83 1sis n ASN 11 CO 0.00 0.00 0.00 -0.03 1.40 0.00 0.00 177.26 178.63 1sis h MET 12 N 0.00 0.30 -0.89 1.20 4.05 -1.62 -0.55 114.93 117.41 1sis h MET 12 Ca 0.00 -0.02 0.12 0.00 -0.28 0.00 0.00 59.70 59.53 1sis h MET 12 Cb 0.27 -0.07 -0.07 0.00 -0.80 0.00 0.00 31.60 30.94 1sis h MET 12 CO 0.00 0.20 0.57 0.00 0.23 0.00 0.00 176.91 177.91 1sis h ALA 13 N 1.74 1.74 -0.33 0.39 0.00 -1.80 0.75 119.26 121.75 1sis h ALA 13 Ca 0.24 0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.99 1sis h ALA 13 Cb 0.52 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1sis h ALA 13 CO -0.05 0.04 -0.46 0.87 0.00 0.00 0.00 179.25 179.64 1sis h LYS 14 N 0.77 0.89 -0.20 0.00 1.57 -1.43 -2.42 116.57 115.75 1sis h LYS 14 Ca 0.44 -0.52 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1sis h LYS 14 Cb 0.59 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.93 1sis h LYS 14 CO -0.20 1.16 0.13 -0.22 -0.57 0.00 0.00 179.45 179.75 1sis h LYS 15 N 0.68 0.25 -0.34 3.15 3.11 -0.67 -1.36 116.57 121.39 1sis h LYS 15 Ca 0.04 -0.02 -0.03 0.00 -2.81 0.00 0.00 60.65 57.83 1sis h LYS 15 Cb 1.06 -0.06 -0.02 0.00 -1.00 0.00 0.00 32.23 32.22 1sis h LYS 15 CO 0.11 0.17 0.09 0.00 -2.81 0.00 0.00 179.45 177.00 1sis h ARG 17 N 0.49 -0.46 -0.37 0.00 9.65 -0.90 -2.72 114.38 120.08 1sis h ARG 17 Ca 0.12 0.03 -0.00 0.00 -1.10 0.00 0.00 59.98 59.02 1sis h ARG 17 Cb 0.18 0.10 -0.02 0.00 -1.39 0.00 0.00 29.97 28.85 1sis h ARG 17 CO -0.00 -0.30 0.21 0.22 2.80 0.00 0.00 179.97 182.89 1sis h ASP 18 N -0.47 0.44 -0.46 -3.80 3.58 -0.93 0.69 116.42 115.47 1sis h ASP 18 Ca 0.02 -0.02 0.08 0.00 0.42 0.00 0.00 57.03 57.53 1sis h ASP 18 Cb 0.49 -0.11 -0.07 0.00 1.72 0.00 0.00 39.33 41.36 1sis h ASP 18 CO -0.13 0.35 0.07 0.00 -2.88 0.00 0.00 179.24 176.65 1sis n GLY 21 N 0.83 1.03 0.00 0.00 0.00 -0.09 -2.08 105.19 104.88 1sis n GLY 21 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.59 1sis n GLY 21 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sis n GLY 22 N -1.50 0.38 2.53 -0.02 0.00 0.14 -4.92 105.19 101.81 1sis n GLY 22 Ca -0.09 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.69 1sis n GLY 22 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1sis n ASN 23 N 0.00 2.68 -4.62 1.61 4.05 -0.88 -4.67 115.26 113.43 1sis n ASN 23 Ca 0.00 -3.31 -0.32 0.00 0.45 0.00 0.00 54.58 51.40 1sis n ASN 23 Cb 0.00 -0.61 -0.07 0.00 1.23 0.00 0.00 39.78 40.34 1sis n ASN 23 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1sis n GLY 24 N 0.29 3.52 3.23 8.20 0.00 -1.19 -1.88 105.19 117.35 1sis n GLY 24 Ca 0.28 -2.34 -0.12 0.00 0.00 0.00 0.00 46.02 43.83 1sis n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sis s LYS 25 N -3.82 0.74 0.01 1.61 1.02 -0.55 -4.54 119.74 114.20 1sis s LYS 25 Ca 0.03 -0.44 -0.19 0.00 0.02 0.00 0.00 55.97 55.39 1sis s LYS 25 Cb 0.00 0.32 -0.06 0.00 -0.52 0.00 0.00 37.83 37.57 1sis s LYS 25 CO 0.02 -0.22 0.53 0.00 -0.92 0.00 0.00 175.35 174.75 1sis n PHE 27 N 2.30 2.73 0.00 0.00 3.01 -0.23 -4.96 117.46 120.32 1sis n PHE 27 Ca -0.10 -4.03 0.00 0.00 1.01 0.00 0.00 57.45 54.33 1sis n PHE 27 Cb 0.51 -0.50 0.00 0.00 -0.01 0.00 0.00 39.48 39.48 1sis n PHE 27 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1sis n GLY 28 N 1.09 2.80 0.14 1.37 0.00 -1.26 -2.68 105.19 106.64 1sis n GLY 28 Ca 0.27 -0.06 0.12 0.00 0.00 0.00 0.00 46.02 46.35 1sis n GLY 28 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1sis n PRO 29 N 8.98 0.21 -4.31 1.61 -0.04 -1.26 -4.51 135.00 135.68 1sis n PRO 29 Ca 0.00 0.43 -0.30 0.00 -0.04 0.00 0.00 63.50 63.59 1sis n PRO 29 Cb 0.00 -1.90 -0.10 0.00 -0.04 0.00 0.00 33.50 31.46 1sis n PRO 29 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1sis s GLN 30 N -3.33 2.19 -0.21 0.54 -1.52 -1.09 -1.47 119.66 114.76 1sis s GLN 30 Ca 0.04 -0.97 -0.12 0.00 -1.95 0.00 0.00 55.36 52.36 1sis s GLN 30 Cb 0.09 -2.33 -0.05 0.00 -0.22 0.00 0.00 33.01 30.51 1sis s GLN 30 CO 0.40 0.53 0.24 0.00 -0.25 0.00 0.00 175.29 176.21 1sis s LEU 32 N 0.98 2.13 0.74 0.00 2.01 -0.39 -1.40 118.68 122.75 1sis s LEU 32 Ca 0.12 -1.72 -0.04 0.00 0.01 0.00 0.00 54.13 52.50 1sis s LEU 32 Cb -0.13 -0.51 0.12 0.00 0.01 0.00 0.00 46.19 45.68 1sis s LEU 32 CO 0.05 -0.94 1.03 0.00 1.01 0.00 0.00 176.35 177.49 1sis n ASN 34 N -2.95 0.44 0.00 0.00 6.94 -0.79 -4.18 115.26 114.72 1sis n ASN 34 Ca 0.14 -1.38 0.00 0.00 -0.02 0.00 0.00 54.58 53.32 1sis n ASN 34 Cb 0.60 -0.02 0.00 0.00 -2.36 0.00 0.00 39.78 38.00 1sis n ASN 34 CO 0.00 0.00 0.00 -2.11 -1.03 0.00 0.00 177.26 174.12