#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 0.00 -0.82 -1.84 8.00 -1.26 -4.95 116.55 115.68 1agg n ASP 2 Ca 0.00 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.62 1agg n ASP 2 Cb 0.00 0.00 0.29 0.00 -0.02 0.00 0.00 41.12 41.39 1agg n ASP 2 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1agg n ASN 3 N 0.00 2.49 -3.70 -2.24 3.02 -1.26 -4.96 115.26 108.61 1agg n ASN 3 Ca 0.00 -1.83 -0.09 0.00 -0.03 0.00 0.00 54.58 52.63 1agg n ASN 3 Cb 0.00 -0.10 -0.02 0.00 -0.61 0.00 0.00 39.78 39.05 1agg n ASN 3 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1agg s ILE 5 N -3.86 4.44 -0.85 0.00 1.01 -1.00 -2.86 121.20 118.07 1agg s ILE 5 Ca 0.08 -2.31 0.00 0.00 0.00 0.00 0.00 60.65 58.41 1agg s ILE 5 Cb -0.03 -3.86 0.00 0.00 0.01 0.00 0.00 42.46 38.58 1agg s ILE 5 CO -0.01 -0.87 0.57 0.00 0.00 0.00 0.00 174.94 174.63 1agg n ALA 6 N 4.25 2.49 -2.53 9.38 0.00 -1.26 -0.83 120.51 132.01 1agg n ALA 6 Ca 0.02 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.23 1agg n ALA 6 Cb 0.41 -1.00 -0.07 0.00 0.00 0.00 0.00 19.45 18.79 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 -0.85 2.27 -0.19 0.00 2.02 -1.26 -4.95 118.70 115.74 1agg s GLU 7 Ca 0.00 -1.62 -0.03 0.00 0.02 0.00 0.00 54.97 53.34 1agg s GLU 7 Cb 0.00 -2.09 -0.01 0.00 0.10 0.00 0.00 34.13 32.12 1agg s GLU 7 CO 0.00 0.12 -0.05 -0.51 0.02 0.00 0.00 175.26 174.84 1agg s ASP 8 N -3.80 4.39 -1.62 -0.19 1.01 -1.26 -4.37 116.67 110.83 1agg s ASP 8 Ca 0.37 -0.32 -0.03 0.00 0.71 0.00 0.00 52.55 53.28 1agg s ASP 8 Cb -0.02 -1.73 0.01 0.00 1.01 0.00 0.00 42.92 42.19 1agg s ASP 8 CO 0.21 0.05 0.32 -1.22 0.21 0.00 0.00 175.17 174.75 1agg n TYR 9 N 4.30 -1.54 -2.96 4.23 4.01 -0.51 -4.90 117.16 119.80 1agg n TYR 9 Ca -0.18 0.28 -0.35 0.00 -0.16 0.00 0.00 57.90 57.49 1agg n TYR 9 Cb 0.52 -4.13 -0.06 0.00 -0.31 0.00 0.00 39.34 35.35 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 -2.40 2.60 -0.30 2.72 0.00 -1.26 -4.51 107.32 104.16 1agg s GLY 10 Ca 0.17 0.30 -0.29 0.00 0.00 0.00 0.00 44.72 44.89 1agg s GLY 10 CO 0.21 0.64 1.30 -1.59 0.00 0.00 0.00 173.10 173.66 1agg s LYS 11 N -2.34 3.92 0.48 2.90 0.00 -1.26 -1.41 119.74 122.03 1agg s LYS 11 Ca 0.50 1.26 0.02 0.00 0.00 0.00 0.00 55.97 57.75 1agg s LYS 11 Cb -0.15 -3.88 -0.02 0.00 0.00 0.00 0.00 37.83 33.78 1agg s LYS 11 CO 0.20 -1.11 0.02 0.00 0.00 0.00 0.00 175.35 174.46 1agg s THR 13 N -2.91 0.13 -0.76 0.00 -4.23 -1.19 -1.61 115.64 105.06 1agg s THR 13 Ca 0.12 -1.04 -0.24 0.00 -1.18 0.00 0.00 61.69 59.35 1agg s THR 13 Cb 0.03 -0.62 0.06 0.00 1.34 0.00 0.00 72.50 73.31 1agg s THR 13 CO 0.06 -0.57 1.18 0.26 -0.54 0.00 0.00 174.62 175.01 1agg s TRP 14 N -2.06 2.52 0.00 3.99 0.51 -1.26 -3.17 118.94 119.47 1agg s TRP 14 Ca -0.10 -0.45 0.00 0.00 -2.12 0.00 0.00 56.10 53.43 1agg s TRP 14 Cb -0.05 -4.49 0.00 0.00 -0.81 0.00 0.00 33.47 28.12 1agg s TRP 14 CO -0.03 -1.86 0.00 0.41 -0.51 0.00 0.00 176.95 174.96 1agg n GLY 15 N 5.57 0.85 0.00 0.98 0.00 -1.26 -5.12 105.19 106.21 1agg n GLY 15 Ca 0.06 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.28 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 1.30 3.75 -0.02 0.00 -1.19 -5.14 105.19 103.89 1agg n GLY 16 Ca 0.00 -0.46 -0.40 0.00 0.00 0.00 0.00 46.02 45.16 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 -1.61 4.22 0.53 2.61 2.01 -1.26 -4.90 115.64 117.24 1agg s THR 17 Ca 0.00 1.97 0.05 0.00 0.31 0.00 0.00 61.69 64.02 1agg s THR 17 Cb 0.00 -4.27 0.02 0.00 0.01 0.00 0.00 72.50 68.26 1agg s THR 17 CO 0.00 0.48 0.33 -0.54 -0.69 0.00 0.00 174.62 174.20 1agg s LYS 18 N -1.00 2.26 0.31 4.92 -0.14 -1.26 -3.20 119.74 121.63 1agg s LYS 18 Ca 0.40 -2.04 -0.27 0.00 -1.36 0.00 0.00 55.97 52.70 1agg s LYS 18 Cb -0.25 -2.02 -0.09 0.00 -1.68 0.00 0.00 37.83 33.78 1agg s LYS 18 CO 0.30 -0.53 1.00 0.00 -0.76 0.00 0.00 175.35 175.36 1agg n ARG 21 N -5.46 1.88 -2.90 0.00 3.00 -1.26 -4.83 116.66 107.10 1agg n ARG 21 Ca 0.08 -1.81 -0.12 0.00 -0.01 0.00 0.00 57.85 55.99 1agg n ARG 21 Cb 0.36 -1.71 0.06 0.00 0.00 0.00 0.00 32.46 31.17 1agg n ARG 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1agg n GLY 22 N -0.01 -0.58 3.35 -0.13 0.00 -0.93 -5.06 105.19 101.82 1agg n GLY 22 Ca 0.35 0.30 -0.32 0.00 0.00 0.00 0.00 46.02 46.35 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 -4.27 3.00 1.01 1.61 1.81 -0.93 -5.02 118.95 116.16 1agg s ARG 23 Ca 0.28 -0.76 -0.16 0.00 -1.72 0.00 0.00 55.73 53.37 1agg s ARG 23 Cb -0.04 -2.43 0.21 0.00 -0.45 0.00 0.00 34.95 32.23 1agg s ARG 23 CO 0.57 0.32 1.23 -1.25 -0.68 0.00 0.00 175.30 175.49 1agg s PRO 24 N 0.04 0.30 0.05 3.54 0.04 -1.26 -2.52 135.00 135.19 1agg s PRO 24 Ca -0.07 -0.18 0.06 0.00 0.04 0.00 0.00 61.00 60.86 1agg s PRO 24 Cb -0.15 -1.79 -0.03 0.00 0.04 0.00 0.00 34.50 32.58 1agg s PRO 24 CO 0.05 -2.68 -0.17 0.00 0.04 0.00 0.00 177.00 174.24 1agg s ARG 26 N -1.31 2.22 0.73 0.00 6.06 -0.48 -4.96 118.95 121.21 1agg s ARG 26 Ca 0.04 -0.56 -0.11 0.00 -2.50 0.00 0.00 55.73 52.59 1agg s ARG 26 Cb -0.09 -1.88 0.03 0.00 0.06 0.00 0.00 34.95 33.07 1agg s ARG 26 CO 0.02 -0.06 1.09 0.00 -2.50 0.00 0.00 175.30 173.86 1agg n SER 28 N -3.13 -0.24 0.14 0.00 2.88 -1.25 -4.74 113.62 107.29 1agg n SER 28 Ca 0.07 -0.97 0.11 0.00 -1.33 0.00 0.00 58.87 56.75 1agg n SER 28 Cb 0.57 -0.14 0.53 0.00 -0.75 0.00 0.00 64.21 64.42 1agg n SER 28 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 1agg n MET 29 N -1.52 0.15 -3.75 -1.46 2.81 -1.26 -3.01 117.12 109.08 1agg n MET 29 Ca 0.02 0.56 -0.29 0.00 -1.81 0.00 0.00 57.70 56.18 1agg n MET 29 Cb 0.08 -1.91 -0.13 0.00 -0.71 0.00 0.00 33.22 30.55 1agg n MET 29 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 1agg s ILE 30 N -3.45 1.63 0.55 2.02 1.01 -1.26 -5.03 121.20 116.67 1agg s ILE 30 Ca -0.00 -2.75 0.31 0.00 0.00 0.00 0.00 60.65 58.21 1agg s ILE 30 Cb 0.07 -2.14 0.47 0.00 0.01 0.00 0.00 42.46 40.87 1agg s ILE 30 CO 0.25 -0.89 1.88 1.23 0.00 0.00 0.00 174.94 177.41 1agg h GLY 31 N 6.61 0.00 -5.18 6.18 0.00 -1.88 -3.35 103.07 105.44 1agg h GLY 31 Ca -0.01 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.75 1agg h GLY 31 CO 0.52 0.00 0.42 -0.51 0.00 0.00 0.00 176.54 176.97 1agg s THR 32 N -4.91 4.87 0.00 4.70 -4.23 -1.26 -3.71 115.64 111.09 1agg s THR 32 Ca -0.05 1.73 0.00 0.00 -1.18 0.00 0.00 61.69 62.19 1agg s THR 32 Cb 0.20 -4.18 0.00 0.00 1.34 0.00 0.00 72.50 69.87 1agg s THR 32 CO 0.73 0.04 0.00 0.59 -0.54 0.00 0.00 174.62 175.44 1agg n ASN 33 N 5.08 -1.11 -4.53 3.99 3.02 -1.26 -4.97 115.26 115.48 1agg n ASN 33 Ca 0.05 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.31 1agg n ASN 33 Cb 0.49 -0.56 0.17 0.00 -0.61 0.00 0.00 39.78 39.27 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 -5.27 1.54 0.43 0.00 2.02 -1.09 -1.64 118.70 114.69 1agg s GLU 35 Ca 0.66 -1.85 -0.02 0.00 0.02 0.00 0.00 54.97 53.78 1agg s GLU 35 Cb -0.14 -0.54 -0.03 0.00 0.10 0.00 0.00 34.13 33.52 1agg s GLU 35 CO 0.55 -0.26 0.68 0.00 0.02 0.00 0.00 175.26 176.25 1agg s THR 37 N -2.56 4.71 0.86 0.00 -4.23 -1.08 -1.42 115.64 111.92 1agg s THR 37 Ca 0.44 -0.04 -0.14 0.00 -1.18 0.00 0.00 61.69 60.78 1agg s THR 37 Cb -0.10 -3.20 0.02 0.00 1.34 0.00 0.00 72.50 70.55 1agg s THR 37 CO 0.41 0.33 0.54 -2.65 -0.54 0.00 0.00 174.62 172.70 1agg n PRO 38 N 4.74 -0.03 -3.74 3.99 -0.02 -1.26 -4.82 135.00 133.86 1agg n PRO 38 Ca -0.16 0.04 -0.16 0.00 -2.02 0.00 0.00 63.50 61.20 1agg n PRO 38 Cb 0.52 -1.91 -0.16 0.00 -0.02 0.00 0.00 33.50 31.92 1agg n PRO 38 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1agg s ARG 39 N -3.39 -0.03 0.48 -0.52 1.70 -1.26 -5.13 118.95 110.81 1agg s ARG 39 Ca 0.62 0.28 0.00 0.00 -0.47 0.00 0.00 55.73 56.15 1agg s ARG 39 Cb -0.27 -0.31 0.00 0.00 -0.57 0.00 0.00 34.95 33.80 1agg s ARG 39 CO 0.62 -0.22 0.00 1.47 -1.08 0.00 0.00 175.30 176.10 1agg n LEU 40 N 4.53 0.00 -1.21 -1.89 -0.00 -1.26 -5.05 117.00 112.11 1agg n LEU 40 Ca -0.20 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.81 1agg n LEU 40 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.92 1agg n LEU 40 CO 0.17 -0.06 -0.15 -0.38 -0.00 0.00 0.00 177.39 176.97 1agg n ILE 41 N 0.00 -5.56 -4.23 1.47 2.08 -1.23 -4.84 119.36 107.05 1agg n ILE 41 Ca 0.00 1.02 -0.24 0.00 0.56 0.00 0.00 62.75 64.09 1agg n ILE 41 Cb 0.00 -3.56 -0.08 0.00 -0.75 0.00 0.00 39.64 35.25 1agg n ILE 41 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1agg s MET 42 N -1.90 2.20 0.30 0.38 0.23 -1.26 -4.69 119.30 114.57 1agg s MET 42 Ca 0.00 -1.69 -0.28 0.00 -1.03 0.00 0.00 55.69 52.68 1agg s MET 42 Cb 0.00 -2.02 -0.09 0.00 -1.53 0.00 0.00 34.83 31.19 1agg s MET 42 CO 0.00 0.09 1.07 -1.21 -2.03 0.00 0.00 175.02 172.94 1agg s GLU 43 N -3.79 4.55 1.34 3.16 2.02 -1.26 -3.88 118.70 120.85 1agg s GLU 43 Ca 0.37 1.71 0.00 0.00 0.02 0.00 0.00 54.97 57.07 1agg s GLU 43 Cb -0.00 -3.05 0.00 0.00 0.10 0.00 0.00 34.13 31.18 1agg s GLU 43 CO 0.21 0.16 0.00 0.41 0.02 0.00 0.00 175.26 176.06 1agg n GLY 44 N 1.02 1.21 3.60 -1.39 0.00 -1.26 -4.81 105.19 103.55 1agg n GLY 44 Ca 0.00 -0.65 -0.40 0.00 0.00 0.00 0.00 46.02 44.98 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 0.00 4.13 -0.26 0.99 1.43 -1.26 -5.05 118.68 118.65 1agg s LEU 45 Ca 0.00 0.26 -0.29 0.00 -1.03 0.00 0.00 54.13 53.08 1agg s LEU 45 Cb 0.00 -2.52 0.01 0.00 0.03 0.00 0.00 46.19 43.71 1agg s LEU 45 CO 0.00 -0.28 1.05 -0.44 0.23 0.00 0.00 176.35 176.90 1agg s SER 46 N 1.64 7.04 0.00 2.29 0.01 -1.25 -4.58 113.70 118.85 1agg s SER 46 Ca 0.17 1.27 0.00 0.00 1.31 0.00 0.00 55.95 58.70 1agg s SER 46 Cb -0.16 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.53 1agg s SER 46 CO 0.10 -0.73 0.00 0.49 0.41 0.00 0.00 173.24 173.51 1agg n PHE 47 N 6.49 0.00 -1.68 2.43 3.72 -1.26 -4.83 117.46 122.33 1agg n PHE 47 Ca 0.12 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.52 1agg n PHE 47 Cb 0.46 0.16 0.00 0.00 -0.94 0.00 0.00 39.48 39.17 1agg n PHE 47 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71