#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 -0.63 -2.82 4.31 9.92 -1.26 -4.44 116.55 121.63 1agg n ASP 2 Ca 0.00 1.03 -0.05 0.00 -0.53 0.00 0.00 54.79 55.24 1agg n ASP 2 Cb 0.00 -4.27 0.01 0.00 -0.64 0.00 0.00 41.12 36.21 1agg n ASP 2 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1agg n ASN 3 N 1.31 -7.89 -4.45 -2.24 5.15 -1.26 -4.96 115.26 100.92 1agg n ASN 3 Ca -0.33 0.97 -0.29 0.00 -0.60 0.00 0.00 54.58 54.33 1agg n ASN 3 Cb 0.51 -5.13 0.21 0.00 -0.53 0.00 0.00 39.78 34.84 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 -2.87 3.85 -1.01 0.00 1.01 -0.95 -4.83 121.20 116.40 1agg s ILE 5 Ca 0.67 -2.46 0.00 0.00 0.00 0.00 0.00 60.65 58.86 1agg s ILE 5 Cb -0.18 -3.53 0.00 0.00 0.01 0.00 0.00 42.46 38.76 1agg s ILE 5 CO 0.58 -0.82 0.49 0.00 0.00 0.00 0.00 174.94 175.19 1agg n ALA 6 N 4.09 2.44 -2.51 9.38 0.00 -1.26 -0.49 120.51 132.17 1agg n ALA 6 Ca 0.03 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.22 1agg n ALA 6 Cb 0.40 -1.00 -0.08 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 -1.01 2.20 -0.20 0.00 2.02 -1.26 -4.93 118.70 115.52 1agg s GLU 7 Ca 0.00 -1.73 -0.02 0.00 0.02 0.00 0.00 54.97 53.25 1agg s GLU 7 Cb 0.00 -2.01 0.00 0.00 0.10 0.00 0.00 34.13 32.23 1agg s GLU 7 CO 0.00 0.06 -0.11 0.16 0.02 0.00 0.00 175.26 175.39 1agg s ASP 8 N -3.80 3.80 -0.92 -0.19 1.47 -1.26 -4.43 116.67 111.34 1agg s ASP 8 Ca 0.37 -0.50 -0.06 0.00 1.18 0.00 0.00 52.55 53.54 1agg s ASP 8 Cb 0.01 -1.63 0.01 0.00 -0.34 0.00 0.00 42.92 40.96 1agg s ASP 8 CO 0.21 -0.01 0.80 -1.22 0.68 0.00 0.00 175.17 175.63 1agg n TYR 9 N 4.72 -1.96 -3.60 2.11 4.01 -0.56 -4.92 117.16 116.96 1agg n TYR 9 Ca -0.19 0.69 -0.30 0.00 -0.16 0.00 0.00 57.90 57.93 1agg n TYR 9 Cb 0.50 -3.74 -0.04 0.00 -0.31 0.00 0.00 39.34 35.75 1agg n TYR 9 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1agg s GLY 10 N -3.22 2.11 -0.16 2.72 0.00 -1.26 -4.60 107.32 102.91 1agg s GLY 10 Ca 0.40 -0.57 -0.29 0.00 0.00 0.00 0.00 44.72 44.25 1agg s GLY 10 CO 0.49 -0.49 1.35 -1.59 0.00 0.00 0.00 173.10 172.87 1agg s LYS 11 N -2.91 4.18 0.40 2.90 -2.85 -1.26 -0.79 119.74 119.41 1agg s LYS 11 Ca 0.42 1.72 0.03 0.00 -1.00 0.00 0.00 55.97 57.14 1agg s LYS 11 Cb -0.12 -3.83 -0.03 0.00 -2.06 0.00 0.00 37.83 31.80 1agg s LYS 11 CO 0.26 -0.79 0.10 0.00 0.10 0.00 0.00 175.35 175.01 1agg s THR 13 N -3.19 0.11 -0.74 0.00 -4.23 -1.22 -2.10 115.64 104.27 1agg s THR 13 Ca 0.25 -0.95 -0.25 0.00 -1.18 0.00 0.00 61.69 59.56 1agg s THR 13 Cb 0.04 -0.63 0.05 0.00 1.34 0.00 0.00 72.50 73.30 1agg s THR 13 CO 0.13 -0.52 1.18 0.26 -0.54 0.00 0.00 174.62 175.13 1agg s TRP 14 N -2.00 2.46 0.00 3.99 0.51 -1.26 -3.07 118.94 119.56 1agg s TRP 14 Ca -0.10 -0.32 0.00 0.00 -2.12 0.00 0.00 56.10 53.56 1agg s TRP 14 Cb -0.05 -4.51 0.00 0.00 -0.81 0.00 0.00 33.47 28.10 1agg s TRP 14 CO -0.02 -1.91 0.00 0.41 -0.51 0.00 0.00 176.95 174.93 1agg n GLY 15 N 5.48 0.88 0.00 0.98 0.00 -1.26 -5.11 105.19 106.15 1agg n GLY 15 Ca 0.04 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.25 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 0.00 1.77 3.77 -0.02 0.00 -1.17 -5.14 105.19 104.40 1agg n GLY 16 Ca 0.00 -0.32 -0.39 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.99 4.39 0.51 2.61 2.01 -1.26 -4.47 115.64 118.44 1agg s THR 17 Ca 0.00 1.71 0.08 0.00 0.31 0.00 0.00 61.69 63.78 1agg s THR 17 Cb 0.00 -4.14 0.05 0.00 0.01 0.00 0.00 72.50 68.41 1agg s THR 17 CO 0.00 0.51 0.69 -0.54 -0.69 0.00 0.00 174.62 174.59 1agg s LYS 18 N -1.04 2.54 -0.24 4.92 -0.14 -1.26 -3.41 119.74 121.11 1agg s LYS 18 Ca 0.36 -1.34 -0.18 0.00 -1.36 0.00 0.00 55.97 53.44 1agg s LYS 18 Cb -0.23 -2.67 -0.03 0.00 -1.68 0.00 0.00 37.83 33.22 1agg s LYS 18 CO 0.26 -0.60 0.53 0.00 -0.76 0.00 0.00 175.35 174.79 1agg n ARG 21 N -3.42 2.01 -2.80 0.00 0.63 -1.26 -4.73 116.66 107.09 1agg n ARG 21 Ca 0.00 -2.04 -0.08 0.00 -0.92 0.00 0.00 57.85 54.81 1agg n ARG 21 Cb 0.06 -1.80 0.03 0.00 0.45 0.00 0.00 32.46 31.20 1agg n ARG 21 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1agg n GLY 22 N -0.12 0.32 3.69 5.14 0.00 -1.16 -5.08 105.19 107.98 1agg n GLY 22 Ca 0.39 -0.31 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 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 -5.19 4.29 1.01 1.61 3.00 -0.60 -4.81 118.95 118.25 1agg s ARG 23 Ca 0.15 0.50 -0.17 0.00 0.00 0.00 0.00 55.73 56.21 1agg s ARG 23 Cb -0.07 -3.50 0.24 0.00 0.00 0.00 0.00 34.95 31.63 1agg s ARG 23 CO 0.27 0.00 1.12 -0.35 0.00 0.00 0.00 175.30 176.34 1agg n PRO 24 N 4.21 -2.04 -4.40 3.54 -0.04 -1.26 -2.76 135.00 132.26 1agg n PRO 24 Ca -0.05 -1.75 -0.21 0.00 -0.04 0.00 0.00 63.50 61.45 1agg n PRO 24 Cb 0.51 -1.37 -0.13 0.00 -0.04 0.00 0.00 33.50 32.47 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 -1.28 1.31 0.81 0.00 1.81 -0.63 -4.94 118.95 116.03 1agg s ARG 26 Ca 0.03 -0.26 -0.12 0.00 -1.72 0.00 0.00 55.73 53.66 1agg s ARG 26 Cb -0.08 -1.19 0.08 0.00 -0.45 0.00 0.00 34.95 33.31 1agg s ARG 26 CO 0.02 -0.06 1.13 0.00 -0.68 0.00 0.00 175.30 175.71 1agg n SER 28 N -3.41 -0.53 -0.24 0.00 2.88 -1.25 -4.70 113.62 106.37 1agg n SER 28 Ca 0.07 -0.35 -0.08 0.00 -1.33 0.00 0.00 58.87 57.19 1agg n SER 28 Cb 0.58 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 64.09 1agg n SER 28 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1agg h MET 29 N 0.00 1.13 0.22 -1.46 -0.00 -1.90 -3.23 114.93 109.68 1agg h MET 29 Ca 0.00 -0.30 -0.01 0.00 -0.00 0.00 0.00 59.70 59.39 1agg h MET 29 Cb 0.00 -0.13 0.00 0.00 -0.00 0.00 0.00 31.60 31.47 1agg h MET 29 CO 0.00 1.02 -0.10 0.82 -0.00 0.00 0.00 176.91 178.65 1agg h ILE 30 N 1.05 0.48 0.00 -0.10 2.04 -1.96 -3.50 117.51 115.54 1agg h ILE 30 Ca 0.21 -0.98 0.00 0.00 1.00 0.00 0.00 64.86 65.08 1agg h ILE 30 Cb 0.44 0.83 0.00 0.00 -0.74 0.00 0.00 36.82 37.35 1agg h ILE 30 CO 0.01 0.13 0.00 0.61 0.00 0.00 0.00 178.15 178.90 1agg n GLY 31 N 0.74 3.92 3.89 5.37 0.00 -1.22 -5.13 105.19 112.76 1agg n GLY 31 Ca -0.06 -0.65 -0.29 0.00 0.00 0.00 0.00 46.02 45.02 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 4.87 -0.45 2.61 -4.23 -1.26 -4.56 115.64 112.63 1agg s THR 32 Ca 0.00 0.37 -0.04 0.00 -1.18 0.00 0.00 61.69 60.84 1agg s THR 32 Cb 0.00 -3.77 0.01 0.00 1.34 0.00 0.00 72.50 70.08 1agg s THR 32 CO 0.00 -0.55 0.47 0.59 -0.54 0.00 0.00 174.62 174.59 1agg n ASN 33 N -1.44 -6.21 -4.68 3.99 4.13 -1.26 -4.70 115.26 105.08 1agg n ASN 33 Ca 0.01 0.12 -0.29 0.00 1.68 0.00 0.00 54.58 56.10 1agg n ASN 33 Cb 0.54 -4.12 0.17 0.00 -1.54 0.00 0.00 39.78 34.83 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 -4.96 1.57 0.59 0.00 2.02 -1.10 -1.61 118.70 115.21 1agg s GLU 35 Ca 0.65 -1.87 -0.09 0.00 0.02 0.00 0.00 54.97 53.68 1agg s GLU 35 Cb -0.18 -0.53 -0.02 0.00 0.10 0.00 0.00 34.13 33.49 1agg s GLU 35 CO 0.57 -0.28 0.95 0.00 0.02 0.00 0.00 175.26 176.53 1agg s THR 37 N -3.06 0.05 0.80 0.00 -1.32 -0.96 -1.50 115.64 109.66 1agg s THR 37 Ca 0.53 -0.42 -0.16 0.00 -1.21 0.00 0.00 61.69 60.43 1agg s THR 37 Cb -0.11 -0.33 -0.06 0.00 -1.51 0.00 0.00 72.50 70.50 1agg s THR 37 CO 0.50 -0.23 0.16 -2.65 -2.21 0.00 0.00 174.62 170.18 1agg n PRO 38 N 2.10 0.07 -2.22 7.08 -0.02 -1.26 -4.06 135.00 136.68 1agg n PRO 38 Ca -0.19 0.05 -0.42 0.00 -2.02 0.00 0.00 63.50 60.93 1agg n PRO 38 Cb 0.57 -1.57 -0.03 0.00 -0.02 0.00 0.00 33.50 32.45 1agg n PRO 38 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1agg s ARG 39 N -2.60 4.34 -0.78 -0.52 0.52 -1.26 -4.73 118.95 113.92 1agg s ARG 39 Ca 0.57 2.00 -0.08 0.00 -0.52 0.00 0.00 55.73 57.71 1agg s ARG 39 Cb -0.30 -3.32 0.20 0.00 0.52 0.00 0.00 34.95 32.05 1agg s ARG 39 CO 0.66 -0.43 0.67 -0.51 0.02 0.00 0.00 175.30 175.71 1agg s LEU 40 N 1.29 6.02 -0.18 2.53 1.43 -1.26 -5.07 118.68 123.45 1agg s LEU 40 Ca 0.63 -2.93 -0.16 0.00 -1.03 0.00 0.00 54.13 50.64 1agg s LEU 40 Cb -0.35 -2.04 -0.04 0.00 0.03 0.00 0.00 46.19 43.79 1agg s LEU 40 CO 0.29 -0.43 0.39 -0.51 0.23 0.00 0.00 176.35 176.32 1agg s ILE 41 N -0.19 5.22 0.16 -0.59 2.07 -1.26 -4.92 121.20 121.68 1agg s ILE 41 Ca 0.19 0.72 0.00 0.00 -1.41 0.00 0.00 60.65 60.16 1agg s ILE 41 Cb -0.14 -3.73 0.00 0.00 0.13 0.00 0.00 42.46 38.73 1agg s ILE 41 CO -0.07 0.30 0.00 0.23 -1.91 0.00 0.00 174.94 173.49 1agg n MET 42 N 4.12 0.00 -0.67 3.50 2.81 -1.26 -5.18 117.12 120.44 1agg n MET 42 Ca -0.09 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.80 1agg n MET 42 Cb 0.51 -0.16 0.00 0.00 -0.71 0.00 0.00 33.22 32.86 1agg n MET 42 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1agg n GLU 43 N -3.24 -1.88 0.00 0.03 1.02 -1.26 -5.02 120.64 110.29 1agg n GLU 43 Ca 0.00 1.37 0.00 0.00 -0.02 0.00 0.00 57.16 58.51 1agg n GLU 43 Cb 0.00 -1.52 0.00 0.00 -0.02 0.00 0.00 31.44 29.90 1agg n GLU 43 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1agg n GLY 44 N -0.35 -1.97 2.68 0.62 0.00 -1.26 -4.66 105.19 100.25 1agg n GLY 44 Ca 0.00 1.01 -0.21 0.00 0.00 0.00 0.00 46.02 46.82 1agg n GLY 44 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1agg s LEU 45 N 0.00 0.18 0.00 0.99 2.96 -1.26 -5.00 118.68 116.55 1agg s LEU 45 Ca 0.00 -1.50 0.00 0.00 -0.22 0.00 0.00 54.13 52.41 1agg s LEU 45 Cb 0.00 0.26 0.00 0.00 0.50 0.00 0.00 46.19 46.95 1agg s LEU 45 CO 0.00 -0.32 0.00 -0.24 -1.32 0.00 0.00 176.35 174.47 1agg n SER 46 N 4.53 0.00 -4.78 3.68 2.88 -1.26 -4.75 113.62 113.92 1agg n SER 46 Ca 0.07 0.00 -0.37 0.00 -1.33 0.00 0.00 58.87 57.24 1agg n SER 46 Cb 0.43 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.83 1agg n SER 46 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 1agg s PHE 47 N 0.00 3.71 -2.97 0.66 -0.71 -1.26 -5.27 117.98 112.14 1agg s PHE 47 Ca 0.00 1.72 0.24 0.00 -1.04 0.00 0.00 56.93 57.85 1agg s PHE 47 Cb 0.00 -2.87 0.24 0.00 -1.21 0.00 0.00 43.02 39.18 1agg s PHE 47 CO 0.00 0.26 1.29 0.00 -1.34 0.00 0.00 175.22 175.43