#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1agg h ASP 2 N 0.00 0.00 -1.37 1.62 3.32 -2.05 -3.46 116.42 114.48 1agg h ASP 2 Ca 0.00 0.00 -0.38 0.00 0.02 0.00 0.00 57.03 56.67 1agg h ASP 2 Cb 0.00 0.00 -0.27 0.00 0.22 0.00 0.00 39.33 39.28 1agg h ASP 2 CO 0.00 0.34 -0.77 -3.20 -1.72 0.00 0.00 179.24 173.89 1agg n ASN 3 N -3.33 -1.68 -3.65 6.45 5.15 -1.26 -5.11 115.26 111.83 1agg n ASN 3 Ca -0.03 -2.81 -0.09 0.00 -0.60 0.00 0.00 54.58 51.05 1agg n ASN 3 Cb 0.12 0.59 -0.02 0.00 -0.53 0.00 0.00 39.78 39.94 1agg n ASN 3 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1agg s ILE 5 N -3.83 3.37 -0.85 0.00 1.01 -0.93 -4.80 121.20 115.17 1agg s ILE 5 Ca 0.06 -3.04 0.01 0.00 0.00 0.00 0.00 60.65 57.68 1agg s ILE 5 Cb -0.04 -3.23 0.04 0.00 0.01 0.00 0.00 42.46 39.24 1agg s ILE 5 CO -0.02 -0.85 0.62 0.00 0.00 0.00 0.00 174.94 174.69 1agg n ALA 6 N 3.40 2.58 -2.92 9.38 0.00 -1.26 -0.69 120.51 131.00 1agg n ALA 6 Ca 0.07 -0.10 -0.24 0.00 0.00 0.00 0.00 53.44 53.17 1agg n ALA 6 Cb 0.36 -1.01 -0.03 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 -0.98 3.31 -0.23 0.00 2.02 -1.26 -4.70 118.70 116.87 1agg s GLU 7 Ca 0.03 -0.74 -0.07 0.00 0.02 0.00 0.00 54.97 54.21 1agg s GLU 7 Cb 0.02 -2.85 -0.03 0.00 0.10 0.00 0.00 34.13 31.37 1agg s GLU 7 CO 0.01 0.47 0.05 -0.51 0.02 0.00 0.00 175.26 175.30 1agg s ASP 8 N -3.54 5.15 -1.44 -0.19 1.11 -1.04 -4.27 116.67 112.45 1agg s ASP 8 Ca 0.34 -0.16 -0.08 0.00 0.18 0.00 0.00 52.55 52.83 1agg s ASP 8 Cb -0.10 -1.91 0.05 0.00 1.07 0.00 0.00 42.92 42.03 1agg s ASP 8 CO 0.28 0.02 0.88 -1.22 1.18 0.00 0.00 175.17 176.31 1agg n TYR 9 N 4.56 -2.18 -0.64 4.23 4.01 -1.11 -4.58 117.16 121.44 1agg n TYR 9 Ca -0.16 0.89 -0.16 0.00 -0.16 0.00 0.00 57.90 58.30 1agg n TYR 9 Cb 0.52 -4.20 0.14 0.00 -0.31 0.00 0.00 39.34 35.49 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 -1.67 -2.90 3.73 2.72 0.00 -1.26 -4.60 105.19 101.22 1agg n GLY 10 Ca -0.10 -1.43 -0.36 0.00 0.00 0.00 0.00 46.02 44.14 1agg n GLY 10 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1agg s LYS 11 N -4.27 4.23 0.34 1.61 1.02 -1.26 -2.33 119.74 119.08 1agg s LYS 11 Ca 0.37 0.00 0.04 0.00 0.02 0.00 0.00 55.97 56.41 1agg s LYS 11 Cb -0.04 -3.42 -0.03 0.00 -0.52 0.00 0.00 37.83 33.81 1agg s LYS 11 CO 0.29 0.26 0.18 0.00 -0.92 0.00 0.00 175.35 175.16 1agg s THR 13 N -3.45 0.14 -0.62 0.00 -4.23 -1.22 -1.84 115.64 104.42 1agg s THR 13 Ca 0.33 -1.14 -0.28 0.00 -1.18 0.00 0.00 61.69 59.42 1agg s THR 13 Cb 0.04 -0.92 0.03 0.00 1.34 0.00 0.00 72.50 72.98 1agg s THR 13 CO 0.19 -0.63 1.25 0.26 -0.54 0.00 0.00 174.62 175.15 1agg s TRP 14 N -2.69 2.47 0.00 3.99 0.51 -1.26 -3.34 118.94 118.62 1agg s TRP 14 Ca -0.04 0.31 0.00 0.00 -2.12 0.00 0.00 56.10 54.24 1agg s TRP 14 Cb -0.01 -4.53 0.00 0.00 -0.81 0.00 0.00 33.47 28.13 1agg s TRP 14 CO -0.05 -1.77 0.00 0.41 -0.51 0.00 0.00 176.95 175.03 1agg n GLY 15 N 5.17 0.34 0.00 0.98 0.00 -1.26 -5.04 105.19 105.38 1agg n GLY 15 Ca 0.08 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.67 1.66 3.80 -0.02 0.00 -1.21 -5.14 105.19 103.60 1agg n GLY 16 Ca 0.00 -0.44 -0.37 0.00 0.00 0.00 0.00 46.02 45.20 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 -1.51 4.49 0.53 2.61 2.01 -1.26 -4.93 115.64 117.59 1agg s THR 17 Ca 0.00 1.44 0.08 0.00 0.31 0.00 0.00 61.69 63.53 1agg s THR 17 Cb 0.00 -3.95 0.06 0.00 0.01 0.00 0.00 72.50 68.61 1agg s THR 17 CO 0.00 0.32 0.64 -0.54 -0.69 0.00 0.00 174.62 174.35 1agg s LYS 18 N -1.68 2.38 -0.07 4.92 1.02 -1.26 -3.44 119.74 121.61 1agg s LYS 18 Ca 0.40 -1.67 -0.21 0.00 0.02 0.00 0.00 55.97 54.51 1agg s LYS 18 Cb -0.19 -2.51 -0.04 0.00 -0.52 0.00 0.00 37.83 34.57 1agg s LYS 18 CO 0.23 -0.67 0.61 0.00 -0.92 0.00 0.00 175.35 174.60 1agg n ARG 21 N -5.47 1.83 -2.93 0.00 1.74 -1.26 -4.74 116.66 105.83 1agg n ARG 21 Ca 0.08 -1.72 -0.12 0.00 -0.77 0.00 0.00 57.85 55.32 1agg n ARG 21 Cb 0.37 -1.68 0.06 0.00 -1.02 0.00 0.00 32.46 30.20 1agg n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1agg n GLY 22 N -0.01 -0.58 3.36 -0.13 0.00 -1.21 -5.06 105.19 101.56 1agg n GLY 22 Ca 0.33 0.29 -0.33 0.00 0.00 0.00 0.00 46.02 46.32 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 -4.34 3.09 0.00 1.61 1.81 -0.82 -5.06 118.95 115.24 1agg s ARG 23 Ca 0.27 -0.74 0.00 0.00 -1.72 0.00 0.00 55.73 53.54 1agg s ARG 23 Cb -0.04 -2.49 0.00 0.00 -0.45 0.00 0.00 34.95 31.98 1agg s ARG 23 CO 0.58 0.30 0.00 -0.35 -0.68 0.00 0.00 175.30 175.15 1agg n PRO 24 N 3.24 -0.45 -3.91 3.54 -0.04 -1.26 -2.82 135.00 133.31 1agg n PRO 24 Ca -0.18 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.12 1agg n PRO 24 Cb 0.53 0.00 -0.16 0.00 -0.04 0.00 0.00 33.50 33.83 1agg n PRO 24 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1agg s ARG 26 N 0.91 3.72 0.81 0.00 1.04 -0.44 -4.89 118.95 120.10 1agg s ARG 26 Ca -0.09 -0.45 -0.12 0.00 -1.04 0.00 0.00 55.73 54.03 1agg s ARG 26 Cb -0.12 -3.34 0.08 0.00 -2.04 0.00 0.00 34.95 29.54 1agg s ARG 26 CO -0.02 -0.12 1.18 0.00 -0.04 0.00 0.00 175.30 176.30 1agg n SER 28 N -3.33 -4.04 -0.06 0.00 7.64 -1.24 -4.66 113.62 107.92 1agg n SER 28 Ca 0.08 -0.85 -0.03 0.00 1.01 0.00 0.00 58.87 59.09 1agg n SER 28 Cb 0.61 -0.95 0.22 0.00 -1.01 0.00 0.00 64.21 63.08 1agg n SER 28 CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 1agg h MET 29 N 0.00 0.67 -0.03 1.43 2.86 -1.91 -3.18 114.93 114.77 1agg h MET 29 Ca -0.38 -0.17 -0.12 0.00 -2.06 0.00 0.00 59.70 56.98 1agg h MET 29 Cb 1.27 -0.08 0.01 0.00 0.06 0.00 0.00 31.60 32.85 1agg h MET 29 CO 0.23 0.69 -0.43 -0.84 1.06 0.00 0.00 176.91 177.62 1agg h ILE 30 N 0.63 1.45 0.00 -1.22 3.07 -1.96 -3.49 117.51 115.98 1agg h ILE 30 Ca 0.13 -1.92 0.00 0.00 1.55 0.00 0.00 64.86 64.61 1agg h ILE 30 Cb 0.41 2.52 0.00 0.00 -0.27 0.00 0.00 36.82 39.48 1agg h ILE 30 CO 0.02 0.55 0.00 0.61 -1.05 0.00 0.00 178.15 178.28 1agg n GLY 31 N 0.92 3.59 3.91 0.16 0.00 -1.20 -5.12 105.19 107.45 1agg n GLY 31 Ca -0.09 -0.66 -0.27 0.00 0.00 0.00 0.00 46.02 45.00 1agg n GLY 31 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1agg s THR 32 N 0.00 3.91 -0.66 2.61 -4.23 -1.26 -4.59 115.64 111.41 1agg s THR 32 Ca 0.00 0.06 -0.02 0.00 -1.18 0.00 0.00 61.69 60.56 1agg s THR 32 Cb 0.00 -3.54 -0.02 0.00 1.34 0.00 0.00 72.50 70.29 1agg s THR 32 CO 0.00 -0.55 0.60 0.59 -0.54 0.00 0.00 174.62 174.72 1agg n ASN 33 N -2.53 -6.26 -4.20 3.99 3.02 -1.26 -4.59 115.26 103.43 1agg n ASN 33 Ca 0.04 -0.22 -0.30 0.00 -0.03 0.00 0.00 54.58 54.08 1agg n ASN 33 Cb 0.57 -4.33 0.19 0.00 -0.61 0.00 0.00 39.78 35.61 1agg n ASN 33 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1agg s GLU 35 N -5.53 1.78 0.55 0.00 2.02 -0.83 -1.60 118.70 115.09 1agg s GLU 35 Ca 0.70 -1.99 -0.06 0.00 0.02 0.00 0.00 54.97 53.64 1agg s GLU 35 Cb -0.09 -1.20 -0.01 0.00 0.10 0.00 0.00 34.13 32.92 1agg s GLU 35 CO 0.54 -0.12 0.87 0.00 0.02 0.00 0.00 175.26 176.57 1agg n THR 37 N -2.48 -0.20 -1.07 0.00 5.66 -0.60 -2.74 114.28 112.84 1agg n THR 37 Ca 0.03 0.35 -0.29 0.00 -3.05 0.00 0.00 64.05 61.10 1agg n THR 37 Cb 0.56 -0.60 0.18 0.00 -1.55 0.00 0.00 70.33 68.92 1agg n THR 37 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 1agg s PRO 38 N -3.07 0.29 -1.16 1.09 0.04 -1.26 -2.34 135.00 128.58 1agg s PRO 38 Ca 0.00 0.60 -0.14 0.00 0.04 0.00 0.00 61.00 61.50 1agg s PRO 38 Cb 0.00 -1.71 0.18 0.00 0.04 0.00 0.00 34.50 33.00 1agg s PRO 38 CO 0.00 -2.85 1.36 0.50 0.04 0.00 0.00 177.00 176.05 1agg s ARG 39 N -4.88 4.03 -0.30 4.56 6.06 -1.26 -4.84 118.95 122.32 1agg s ARG 39 Ca 0.66 -2.54 -0.15 0.00 -2.50 0.00 0.00 55.73 51.20 1agg s ARG 39 Cb -0.20 -4.99 0.18 0.00 0.06 0.00 0.00 34.95 30.00 1agg s ARG 39 CO 0.59 -1.71 1.07 -1.17 -2.50 0.00 0.00 175.30 171.57 1agg s LEU 40 N 1.44 -0.44 -1.12 -0.88 2.96 -1.26 -5.08 118.68 114.30 1agg s LEU 40 Ca 0.40 0.42 -0.05 0.00 -0.22 0.00 0.00 54.13 54.68 1agg s LEU 40 Cb -0.04 1.43 0.28 0.00 0.50 0.00 0.00 46.19 48.36 1agg s LEU 40 CO -0.02 -0.08 1.56 2.30 -1.32 0.00 0.00 176.35 178.79 1agg n ILE 41 N 5.17 5.18 -3.06 6.68 -0.00 -1.26 -4.70 119.36 127.38 1agg n ILE 41 Ca -0.07 -5.67 0.01 0.00 -0.00 0.00 0.00 62.75 57.02 1agg n ILE 41 Cb 0.54 -2.12 -0.00 0.00 -0.00 0.00 0.00 39.64 38.05 1agg n ILE 41 CO 0.00 0.00 0.00 -0.32 -0.00 0.00 0.00 176.55 176.23 1agg s MET 42 N -2.25 0.58 0.00 6.28 1.75 -1.26 -5.18 119.30 119.22 1agg s MET 42 Ca 0.33 -0.16 0.00 0.00 -1.25 0.00 0.00 55.69 54.61 1agg s MET 42 Cb 0.06 0.08 -0.00 0.00 2.84 0.00 0.00 34.83 37.80 1agg s MET 42 CO 0.09 -0.85 -0.01 -1.21 -0.65 0.00 0.00 175.02 172.40 1agg s GLU 43 N 1.94 0.06 0.00 4.11 2.02 -1.26 -5.12 118.70 120.46 1agg s GLU 43 Ca 0.16 -0.11 0.00 0.00 0.02 0.00 0.00 54.97 55.04 1agg s GLU 43 Cb -0.02 0.01 0.00 0.00 0.10 0.00 0.00 34.13 34.22 1agg s GLU 43 CO -0.11 -0.01 0.07 0.41 0.02 0.00 0.00 175.26 175.65 1agg n GLY 44 N 2.83 0.70 3.55 -1.39 0.00 -1.26 -4.68 105.19 104.93 1agg n GLY 44 Ca -0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 1agg n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1agg s LEU 45 N -1.81 3.67 -0.21 0.99 2.01 -1.26 -4.97 118.68 117.10 1agg s LEU 45 Ca 0.00 -0.22 -0.05 0.00 0.01 0.00 0.00 54.13 53.86 1agg s LEU 45 Cb 0.00 -2.89 0.11 0.00 0.01 0.00 0.00 46.19 43.41 1agg s LEU 45 CO 0.00 -1.46 0.40 -0.94 1.01 0.00 0.00 176.35 175.36 1agg s SER 46 N 3.12 -0.10 -0.18 2.29 1.04 -1.26 -5.09 113.70 113.52 1agg s SER 46 Ca 0.36 0.73 -0.16 0.00 0.48 0.00 0.00 55.95 57.35 1agg s SER 46 Cb -0.10 1.27 0.05 0.00 0.10 0.00 0.00 66.02 67.34 1agg s SER 46 CO 0.20 -0.25 0.48 0.72 0.98 0.00 0.00 173.24 175.37 1agg s PHE 47 N 2.59 -0.53 -2.58 5.02 -0.12 -1.26 -5.07 117.98 116.03 1agg s PHE 47 Ca 0.04 1.29 0.27 0.00 -0.05 0.00 0.00 56.93 58.48 1agg s PHE 47 Cb -0.13 0.19 0.92 0.00 -0.63 0.00 0.00 43.02 43.36 1agg s PHE 47 CO -0.14 -0.26 1.67 0.00 -0.05 0.00 0.00 175.22 176.44