#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1agg n ASP 2 N 0.00 -1.34 0.00 1.62 5.75 -1.26 -5.01 116.55 116.31 1agg n ASP 2 Ca 0.00 0.53 0.00 0.00 -0.01 0.00 0.00 54.79 55.31 1agg n ASP 2 Cb 0.00 1.40 0.00 0.00 -1.03 0.00 0.00 41.12 41.49 1agg n ASP 2 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1agg n ASN 3 N -3.30 0.22 -4.07 -1.12 4.13 -1.26 -5.11 115.26 104.75 1agg n ASN 3 Ca 0.00 -1.10 -0.10 0.00 1.68 0.00 0.00 54.58 55.05 1agg n ASN 3 Cb 0.00 0.00 -0.07 0.00 -1.54 0.00 0.00 39.78 38.17 1agg n ASN 3 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1agg s ILE 5 N -4.06 4.64 -1.00 0.00 -1.09 -0.98 -4.71 121.20 114.00 1agg s ILE 5 Ca 0.28 -2.31 0.01 0.00 -2.23 0.00 0.00 60.65 56.40 1agg s ILE 5 Cb 0.03 -3.96 0.04 0.00 -1.58 0.00 0.00 42.46 36.98 1agg s ILE 5 CO 0.09 -0.90 0.58 0.00 -1.23 0.00 0.00 174.94 173.48 1agg n ALA 6 N 4.24 2.57 -2.54 9.38 0.00 -1.26 -0.49 120.51 132.41 1agg n ALA 6 Ca 0.03 -0.09 -0.25 0.00 0.00 0.00 0.00 53.44 53.12 1agg n ALA 6 Cb 0.42 -1.01 -0.10 0.00 0.00 0.00 0.00 19.45 18.77 1agg n ALA 6 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1agg s GLU 7 N -1.12 1.94 -0.21 0.00 8.01 -1.26 -4.95 118.70 121.12 1agg s GLU 7 Ca 0.03 -1.84 -0.03 0.00 0.01 0.00 0.00 54.97 53.14 1agg s GLU 7 Cb 0.02 -1.82 -0.01 0.00 -4.31 0.00 0.00 34.13 28.02 1agg s GLU 7 CO 0.01 0.15 -0.07 -0.51 0.01 0.00 0.00 175.26 174.85 1agg s ASP 8 N -3.66 4.16 -1.24 -0.19 1.01 -1.26 -4.35 116.67 111.13 1agg s ASP 8 Ca 0.33 -0.41 -0.01 0.00 0.71 0.00 0.00 52.55 53.17 1agg s ASP 8 Cb 0.01 -1.70 0.00 0.00 1.01 0.00 0.00 42.92 42.24 1agg s ASP 8 CO 0.18 -0.00 0.95 -1.22 0.21 0.00 0.00 175.17 175.29 1agg n TYR 9 N 4.66 -2.19 -0.83 4.23 4.01 -1.09 -4.95 117.16 121.00 1agg n TYR 9 Ca -0.18 0.93 -0.03 0.00 -0.16 0.00 0.00 57.90 58.45 1agg n TYR 9 Cb 0.51 -4.92 0.02 0.00 -0.31 0.00 0.00 39.34 34.64 1agg n TYR 9 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1agg n GLY 10 N -1.31 -1.78 3.75 2.72 0.00 -1.26 -4.64 105.19 102.68 1agg n GLY 10 Ca -0.26 -1.57 -0.36 0.00 0.00 0.00 0.00 46.02 43.83 1agg n GLY 10 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1agg s LYS 11 N -3.26 4.13 0.14 1.61 -2.85 -1.26 -2.69 119.74 115.55 1agg s LYS 11 Ca 0.07 -0.01 -0.00 0.00 -1.00 0.00 0.00 55.97 55.02 1agg s LYS 11 Cb -0.00 -3.39 0.00 0.00 -2.06 0.00 0.00 37.83 32.38 1agg s LYS 11 CO 0.05 0.34 0.18 0.00 0.10 0.00 0.00 175.35 176.03 1agg s THR 13 N -2.57 0.04 -0.36 0.00 -4.23 -1.20 -3.12 115.64 104.20 1agg s THR 13 Ca 0.12 -0.35 -0.21 0.00 -1.18 0.00 0.00 61.69 60.07 1agg s THR 13 Cb -0.00 -0.35 0.00 0.00 1.34 0.00 0.00 72.50 73.49 1agg s THR 13 CO 0.08 -0.19 0.65 0.26 -0.54 0.00 0.00 174.62 174.88 1agg s TRP 14 N -0.67 3.14 -0.05 3.99 0.52 -1.26 -3.58 118.94 121.04 1agg s TRP 14 Ca -0.08 0.33 -0.00 0.00 0.02 0.00 0.00 56.10 56.38 1agg s TRP 14 Cb -0.04 -3.17 -0.00 0.00 -1.15 0.00 0.00 33.47 29.10 1agg s TRP 14 CO 0.01 -0.65 0.05 0.41 0.02 0.00 0.00 176.95 176.78 1agg n GLY 15 N 4.69 -0.25 0.00 0.98 0.00 -1.26 -5.04 105.19 104.31 1agg n GLY 15 Ca -0.01 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1agg n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1agg n GLY 16 N -1.09 1.27 3.80 -0.02 0.00 -1.23 -5.14 105.19 102.77 1agg n GLY 16 Ca -0.00 -0.11 -0.38 0.00 0.00 0.00 0.00 46.02 45.53 1agg n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1agg s THR 17 N -0.07 4.96 0.48 2.61 2.01 -1.25 -4.95 115.64 119.43 1agg s THR 17 Ca 0.00 1.02 0.08 0.00 0.31 0.00 0.00 61.69 63.10 1agg s THR 17 Cb 0.00 -3.81 0.03 0.00 0.01 0.00 0.00 72.50 68.72 1agg s THR 17 CO 0.00 0.51 0.54 -0.54 -0.69 0.00 0.00 174.62 174.43 1agg s LYS 18 N -0.66 2.48 0.23 4.92 -0.14 -1.26 -3.26 119.74 122.04 1agg s LYS 18 Ca 0.27 -1.60 -0.30 0.00 -1.36 0.00 0.00 55.97 52.98 1agg s LYS 18 Cb -0.17 -2.47 -0.09 0.00 -1.68 0.00 0.00 37.83 33.41 1agg s LYS 18 CO 0.15 -0.47 1.01 0.00 -0.76 0.00 0.00 175.35 175.27 1agg n ARG 21 N -5.41 1.82 -2.01 0.00 1.85 -1.26 -4.79 116.66 106.86 1agg n ARG 21 Ca 0.00 -1.81 -0.01 0.00 -1.00 0.00 0.00 57.85 55.02 1agg n ARG 21 Cb 0.33 -1.71 0.01 0.00 -1.05 0.00 0.00 32.46 30.03 1agg n ARG 21 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1agg n GLY 22 N -0.26 -0.36 2.96 2.89 0.00 -1.21 -5.11 105.19 104.09 1agg n GLY 22 Ca 0.36 0.01 -0.12 0.00 0.00 0.00 0.00 46.02 46.26 1agg n GLY 22 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1agg s ARG 23 N -3.12 0.27 0.63 1.61 1.81 -1.13 -5.04 118.95 113.99 1agg s ARG 23 Ca 0.04 -0.36 -0.12 0.00 -1.72 0.00 0.00 55.73 53.57 1agg s ARG 23 Cb -0.01 -0.10 -0.02 0.00 -0.45 0.00 0.00 34.95 34.37 1agg s ARG 23 CO 0.24 0.02 1.04 -1.25 -0.68 0.00 0.00 175.30 174.66 1agg s PRO 24 N -0.75 3.31 -0.05 3.54 0.04 -1.26 -2.30 135.00 137.54 1agg s PRO 24 Ca -0.06 0.94 0.05 0.00 0.04 0.00 0.00 61.00 61.97 1agg s PRO 24 Cb -0.05 -2.04 -0.02 0.00 0.04 0.00 0.00 34.50 32.43 1agg s PRO 24 CO -0.00 -0.80 -0.20 0.00 0.04 0.00 0.00 177.00 176.03 1agg s ARG 26 N -0.50 0.49 0.82 0.00 1.81 -0.36 -4.90 118.95 116.31 1agg s ARG 26 Ca 0.06 -0.04 -0.12 0.00 -1.72 0.00 0.00 55.73 53.92 1agg s ARG 26 Cb -0.11 -0.56 0.08 0.00 -0.45 0.00 0.00 34.95 33.91 1agg s ARG 26 CO 0.01 -0.06 1.10 0.00 -0.68 0.00 0.00 175.30 175.67 1agg n SER 28 N -3.51 -1.08 -0.02 0.00 2.88 -1.26 -4.67 113.62 105.95 1agg n SER 28 Ca 0.07 -0.22 0.01 0.00 -1.33 0.00 0.00 58.87 57.41 1agg n SER 28 Cb 0.57 0.00 0.34 0.00 -0.75 0.00 0.00 64.21 64.37 1agg n SER 28 CO 0.00 0.00 0.00 0.24 -1.23 0.00 0.00 175.04 174.05 1agg h MET 29 N 0.00 0.57 0.04 -1.46 2.86 -1.98 -3.27 114.93 111.69 1agg h MET 29 Ca 0.00 -0.08 -0.00 0.00 -2.06 0.00 0.00 59.70 57.56 1agg h MET 29 Cb 0.00 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 31.56 1agg h MET 29 CO 0.00 0.49 -0.02 0.82 1.06 0.00 0.00 176.91 179.26 1agg h ILE 30 N 0.56 1.35 -0.90 -1.22 2.04 -1.94 -3.50 117.51 113.90 1agg h ILE 30 Ca 0.14 -1.58 0.00 0.00 1.00 0.00 0.00 64.86 64.42 1agg h ILE 30 Cb 0.15 2.35 0.00 0.00 -0.74 0.00 0.00 36.82 38.58 1agg h ILE 30 CO -0.01 0.38 0.00 0.61 0.00 0.00 0.00 178.15 179.13 1agg n GLY 31 N 0.89 0.71 0.00 5.37 0.00 -1.24 -4.98 105.19 105.94 1agg n GLY 31 Ca -0.08 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.59 1agg n GLY 31 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1agg n THR 32 N -1.03 0.00 -2.79 2.61 -1.04 -1.26 -4.92 114.28 105.84 1agg n THR 32 Ca 0.00 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.69 1agg n THR 32 Cb 0.30 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 68.79 1agg n THR 32 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1agg n ASN 33 N -0.95 5.64 -4.44 8.00 4.13 -1.26 -4.98 115.26 121.39 1agg n ASN 33 Ca 0.00 -3.69 -0.30 0.00 1.68 0.00 0.00 54.58 52.26 1agg n ASN 33 Cb 0.00 -0.79 0.21 0.00 -1.54 0.00 0.00 39.78 37.66 1agg n ASN 33 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1agg s GLU 35 N -4.09 1.85 0.62 0.00 2.02 -1.00 -1.01 118.70 117.09 1agg s GLU 35 Ca 0.64 -2.11 -0.10 0.00 0.02 0.00 0.00 54.97 53.42 1agg s GLU 35 Cb -0.21 -0.45 -0.02 0.00 0.10 0.00 0.00 34.13 33.55 1agg s GLU 35 CO 0.65 -0.48 1.00 0.00 0.02 0.00 0.00 175.26 176.45 1agg s THR 37 N -3.15 0.01 -1.35 0.00 -1.32 -1.02 -2.67 115.64 106.14 1agg s THR 37 Ca 0.55 -0.05 -0.14 0.00 -1.21 0.00 0.00 61.69 60.84 1agg s THR 37 Cb -0.11 -0.24 0.09 0.00 -1.51 0.00 0.00 72.50 70.73 1agg s THR 37 CO 0.51 -0.03 1.95 -0.81 -2.21 0.00 0.00 174.62 174.04 1agg n PRO 38 N 2.88 3.18 -3.52 7.08 -0.04 -1.26 -4.26 135.00 139.05 1agg n PRO 38 Ca -0.13 -3.11 -0.17 0.00 -0.04 0.00 0.00 63.50 60.04 1agg n PRO 38 Cb 0.59 -3.21 0.00 0.00 -0.04 0.00 0.00 33.50 30.84 1agg n PRO 38 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1agg n ARG 39 N 5.93 -1.51 -3.21 0.54 1.74 -1.26 -5.03 116.66 113.86 1agg n ARG 39 Ca 0.47 1.06 0.00 0.00 -0.77 0.00 0.00 57.85 58.61 1agg n ARG 39 Cb 0.40 -3.48 -0.03 0.00 -1.02 0.00 0.00 32.46 28.33 1agg n ARG 39 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1agg s LEU 40 N -4.47 -1.19 -0.18 0.55 2.96 -1.26 -5.12 118.68 109.96 1agg s LEU 40 Ca 0.03 0.59 -0.21 0.00 -0.22 0.00 0.00 54.13 54.31 1agg s LEU 40 Cb -0.00 1.84 -0.03 0.00 0.50 0.00 0.00 46.19 48.50 1agg s LEU 40 CO 0.85 -0.28 0.65 0.27 -1.32 0.00 0.00 176.35 176.52 1agg s ILE 41 N 2.76 5.01 -0.51 6.68 -4.36 -1.26 -4.93 121.20 124.60 1agg s ILE 41 Ca 0.17 1.24 -0.13 0.00 -0.26 0.00 0.00 60.65 61.68 1agg s ILE 41 Cb -0.15 -3.97 0.12 0.00 1.25 0.00 0.00 42.46 39.72 1agg s ILE 41 CO -0.21 0.12 0.43 0.00 0.24 0.00 0.00 174.94 175.53 1agg s MET 42 N 1.79 2.77 -0.17 0.37 0.23 -1.26 -5.04 119.30 117.99 1agg s MET 42 Ca 0.30 -1.72 -0.14 0.00 -1.03 0.00 0.00 55.69 53.10 1agg s MET 42 Cb -0.16 -4.13 0.05 0.00 -1.53 0.00 0.00 34.83 29.06 1agg s MET 42 CO 0.11 -1.26 0.44 -2.00 -2.03 0.00 0.00 175.02 170.28 1agg s GLU 43 N 1.50 0.49 -0.62 3.16 2.12 -1.26 -5.03 118.70 119.06 1agg s GLU 43 Ca 0.04 0.68 -0.20 0.00 0.36 0.00 0.00 54.97 55.85 1agg s GLU 43 Cb -0.28 0.17 0.10 0.00 0.26 0.00 0.00 34.13 34.37 1agg s GLU 43 CO 0.01 -0.09 0.78 0.20 -0.54 0.00 0.00 175.26 175.63 1agg s GLY 44 N 0.61 1.67 -0.17 -1.50 0.00 -1.26 -5.00 107.32 101.68 1agg s GLY 44 Ca -0.03 -2.15 -0.09 0.00 0.00 0.00 0.00 44.72 42.45 1agg s GLY 44 CO -0.04 1.72 0.40 0.48 0.00 0.00 0.00 173.10 175.66 1agg s LEU 45 N 3.04 -0.19 -0.00 0.66 2.34 -1.26 -5.10 118.68 118.17 1agg s LEU 45 Ca 0.15 0.89 -0.00 0.00 0.06 0.00 0.00 54.13 55.23 1agg s LEU 45 Cb -0.22 1.31 -0.00 0.00 -0.56 0.00 0.00 46.19 46.73 1agg s LEU 45 CO 0.07 -0.20 -0.01 -0.24 -1.06 0.00 0.00 176.35 174.91 1agg n SER 46 N 4.50 0.04 -0.02 1.48 2.88 -1.26 -4.94 113.62 116.29 1agg n SER 46 Ca -0.20 0.15 -0.02 0.00 -1.33 0.00 0.00 58.87 57.47 1agg n SER 46 Cb 0.54 -0.51 -0.01 0.00 -0.75 0.00 0.00 64.21 63.49 1agg n SER 46 CO 0.00 0.00 0.00 0.33 -1.23 0.00 0.00 175.04 174.14 1agg n PHE 47 N -2.40 0.13 -0.50 0.66 7.35 -1.26 -5.33 117.46 116.11 1agg n PHE 47 Ca -0.00 0.06 0.00 0.00 -0.76 0.00 0.00 57.45 56.74 1agg n PHE 47 Cb 0.01 -0.27 0.00 0.00 0.35 0.00 0.00 39.48 39.57 1agg n PHE 47 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00