#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 -8.04 0.00 1.62 2.03 -1.26 -5.06 116.55 105.84 1agg n ASP 2 Ca 0.00 1.21 0.00 0.00 0.52 0.00 0.00 54.79 56.52 1agg n ASP 2 Cb 0.00 -5.37 0.00 0.00 -0.72 0.00 0.00 41.12 35.03 1agg n ASP 2 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 1agg n ASN 3 N 0.44 0.00 -4.86 1.67 0.23 -1.26 -5.19 115.26 106.29 1agg n ASN 3 Ca 0.03 0.00 -0.26 0.00 -0.53 0.00 0.00 54.58 53.82 1agg n ASN 3 Cb 0.12 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 37.80 1agg n ASN 3 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1agg s ILE 5 N -2.72 4.31 -1.21 0.00 1.01 -0.97 -4.86 121.20 116.76 1agg s ILE 5 Ca 0.33 -2.34 0.00 0.00 0.00 0.00 0.00 60.65 58.65 1agg s ILE 5 Cb -0.01 -3.79 0.00 0.00 0.01 0.00 0.00 42.46 38.67 1agg s ILE 5 CO 0.20 -0.86 0.56 0.00 0.00 0.00 0.00 174.94 174.84 1agg n ALA 6 N 4.22 2.39 -2.56 9.38 0.00 -1.26 -0.84 120.51 131.84 1agg n ALA 6 Ca 0.02 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.24 1agg n ALA 6 Cb 0.41 -1.00 -0.14 0.00 0.00 0.00 0.00 19.45 18.72 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 -1.21 1.17 0.01 0.00 2.02 -1.26 -4.93 118.70 114.50 1agg s GLU 7 Ca 0.00 -0.66 -0.28 0.00 0.02 0.00 0.00 54.97 54.05 1agg s GLU 7 Cb 0.00 -1.17 -0.04 0.00 0.10 0.00 0.00 34.13 33.02 1agg s GLU 7 CO 0.00 0.31 0.88 -0.51 0.02 0.00 0.00 175.26 175.95 1agg s ASP 8 N -0.70 7.28 -1.74 -0.19 1.01 -1.26 -3.12 116.67 117.95 1agg s ASP 8 Ca 0.05 1.54 -0.00 0.00 0.71 0.00 0.00 52.55 54.85 1agg s ASP 8 Cb -0.07 -2.52 0.00 0.00 1.01 0.00 0.00 42.92 41.34 1agg s ASP 8 CO 0.00 -0.15 0.01 -1.22 0.21 0.00 0.00 175.17 174.03 1agg n TYR 9 N 3.49 -1.05 -3.04 4.23 4.01 -0.45 -4.88 117.16 119.46 1agg n TYR 9 Ca 0.02 0.01 -0.32 0.00 -0.16 0.00 0.00 57.90 57.45 1agg n TYR 9 Cb 0.51 -3.92 -0.06 0.00 -0.31 0.00 0.00 39.34 35.56 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 -2.06 2.29 -0.08 2.72 0.00 -1.18 -4.52 107.32 104.49 1agg s GLY 10 Ca 0.01 0.06 -0.30 0.00 0.00 0.00 0.00 44.72 44.49 1agg s GLY 10 CO 0.01 0.28 1.18 0.54 0.00 0.00 0.00 173.10 175.10 1agg s LYS 11 N -3.14 4.35 0.32 2.90 1.02 -1.26 -1.20 119.74 122.72 1agg s LYS 11 Ca 0.55 1.63 0.04 0.00 0.02 0.00 0.00 55.97 58.20 1agg s LYS 11 Cb -0.10 -3.58 -0.04 0.00 -0.52 0.00 0.00 37.83 33.60 1agg s LYS 11 CO 0.19 -0.46 0.17 0.00 -0.92 0.00 0.00 175.35 174.33 1agg s THR 13 N -3.53 0.10 -0.67 0.00 -4.23 -1.19 -2.04 115.64 104.07 1agg s THR 13 Ca 0.35 -0.81 -0.25 0.00 -1.18 0.00 0.00 61.69 59.80 1agg s THR 13 Cb 0.04 -0.76 0.05 0.00 1.34 0.00 0.00 72.50 73.17 1agg s THR 13 CO 0.18 -0.45 1.11 0.26 -0.54 0.00 0.00 174.62 175.19 1agg s TRP 14 N -2.14 2.52 0.00 3.99 0.52 -1.26 -3.16 118.94 119.40 1agg s TRP 14 Ca -0.08 -0.20 0.00 0.00 0.02 0.00 0.00 56.10 55.84 1agg s TRP 14 Cb -0.03 -4.43 0.00 0.00 -1.15 0.00 0.00 33.47 27.86 1agg s TRP 14 CO -0.02 -1.79 0.00 0.41 0.02 0.00 0.00 176.95 175.58 1agg n GLY 15 N 5.30 0.88 0.00 0.98 0.00 -1.26 -5.11 105.19 105.99 1agg n GLY 15 Ca 0.01 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.24 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 -0.06 1.24 3.79 -0.02 0.00 -1.19 -5.14 105.19 103.82 1agg n GLY 16 Ca 0.00 -0.41 -0.38 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.44 4.44 0.52 2.61 2.01 -1.26 -4.91 115.64 117.60 1agg s THR 17 Ca 0.00 1.57 0.04 0.00 0.31 0.00 0.00 61.69 63.61 1agg s THR 17 Cb 0.00 -4.05 0.01 0.00 0.01 0.00 0.00 72.50 68.47 1agg s THR 17 CO 0.00 0.44 0.23 -0.54 -0.69 0.00 0.00 174.62 174.06 1agg s LYS 18 N -1.36 2.23 0.26 4.92 -0.14 -1.26 -3.16 119.74 121.22 1agg s LYS 18 Ca 0.37 -2.14 -0.29 0.00 -1.36 0.00 0.00 55.97 52.55 1agg s LYS 18 Cb -0.21 -1.87 -0.09 0.00 -1.68 0.00 0.00 37.83 33.97 1agg s LYS 18 CO 0.24 -0.46 0.95 0.00 -0.76 0.00 0.00 175.35 175.32 1agg n ARG 21 N -5.45 1.84 -2.65 0.00 1.74 -1.26 -4.84 116.66 106.04 1agg n ARG 21 Ca 0.08 -1.81 -0.09 0.00 -0.77 0.00 0.00 57.85 55.26 1agg n ARG 21 Cb 0.35 -1.71 0.04 0.00 -1.02 0.00 0.00 32.46 30.12 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 -0.19 -0.54 3.12 -0.13 0.00 -1.04 -5.01 105.19 101.40 1agg n GLY 22 Ca 0.35 0.30 -0.29 0.00 0.00 0.00 0.00 46.02 46.38 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 -3.81 2.48 0.67 1.61 1.81 -1.05 -4.59 118.95 116.06 1agg s ARG 23 Ca 0.27 -0.67 -0.11 0.00 -1.72 0.00 0.00 55.73 53.49 1agg s ARG 23 Cb -0.03 -1.97 0.16 0.00 -0.45 0.00 0.00 34.95 32.65 1agg s ARG 23 CO 0.50 0.05 0.80 -0.35 -0.68 0.00 0.00 175.30 175.62 1agg n PRO 24 N 3.84 -1.29 -4.48 3.54 -0.04 -1.26 -2.51 135.00 132.80 1agg n PRO 24 Ca -0.20 -1.24 -0.23 0.00 -0.04 0.00 0.00 63.50 61.79 1agg n PRO 24 Cb 0.52 -0.92 -0.13 0.00 -0.04 0.00 0.00 33.50 32.93 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 -1.32 2.84 0.85 0.00 6.06 -0.33 -4.93 118.95 122.12 1agg s ARG 26 Ca 0.05 -0.77 -0.12 0.00 -2.50 0.00 0.00 55.73 52.39 1agg s ARG 26 Cb -0.09 -2.45 0.10 0.00 0.06 0.00 0.00 34.95 32.57 1agg s ARG 26 CO 0.02 -0.20 1.13 0.00 -2.50 0.00 0.00 175.30 173.75 1agg n SER 28 N -3.56 -0.48 -0.17 0.00 2.88 -1.25 -4.68 113.62 106.35 1agg n SER 28 Ca 0.07 -0.31 -0.10 0.00 -1.33 0.00 0.00 58.87 57.20 1agg n SER 28 Cb 0.58 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.05 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 0.87 0.24 -1.46 -0.00 -1.90 -3.26 114.93 109.42 1agg h MET 29 Ca 0.00 -0.28 -0.01 0.00 -0.00 0.00 0.00 59.70 59.41 1agg h MET 29 Cb 0.00 -0.08 0.00 0.00 -0.00 0.00 0.00 31.60 31.53 1agg h MET 29 CO 0.00 0.91 -0.11 0.82 -0.00 0.00 0.00 176.91 178.53 1agg h ILE 30 N 0.73 0.30 0.00 -0.10 2.04 -1.96 -3.50 117.51 115.03 1agg h ILE 30 Ca 0.14 -0.90 0.00 0.00 1.00 0.00 0.00 64.86 65.10 1agg h ILE 30 Cb 0.53 0.53 0.00 0.00 -0.74 0.00 0.00 36.82 37.13 1agg h ILE 30 CO 0.03 0.08 0.00 0.61 0.00 0.00 0.00 178.15 178.87 1agg n GLY 31 N 0.79 3.30 3.88 5.37 0.00 -1.23 -5.13 105.19 112.16 1agg n GLY 31 Ca -0.06 -0.49 -0.30 0.00 0.00 0.00 0.00 46.02 45.17 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 4.81 -0.48 2.61 -4.23 -1.26 -4.51 115.64 112.57 1agg s THR 32 Ca 0.00 0.55 -0.03 0.00 -1.18 0.00 0.00 61.69 61.03 1agg s THR 32 Cb 0.00 -3.75 0.00 0.00 1.34 0.00 0.00 72.50 70.09 1agg s THR 32 CO 0.00 -0.58 0.50 0.59 -0.54 0.00 0.00 174.62 174.59 1agg n ASN 33 N -1.46 -6.33 -4.66 3.99 4.13 -1.26 -4.70 115.26 104.96 1agg n ASN 33 Ca 0.02 0.08 -0.29 0.00 1.68 0.00 0.00 54.58 56.07 1agg n ASN 33 Cb 0.54 -4.22 0.18 0.00 -1.54 0.00 0.00 39.78 34.74 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 -4.87 1.67 0.52 0.00 2.02 -1.10 -1.58 118.70 115.37 1agg s GLU 35 Ca 0.65 -1.95 -0.04 0.00 0.02 0.00 0.00 54.97 53.65 1agg s GLU 35 Cb -0.20 -0.71 -0.01 0.00 0.10 0.00 0.00 34.13 33.32 1agg s GLU 35 CO 0.59 -0.27 0.81 0.00 0.02 0.00 0.00 175.26 176.41 1agg s THR 37 N -2.81 0.02 0.71 0.00 -1.32 -1.07 -1.34 115.64 109.83 1agg s THR 37 Ca 0.51 -0.20 -0.12 0.00 -1.21 0.00 0.00 61.69 60.66 1agg s THR 37 Cb -0.10 -0.32 0.03 0.00 -1.51 0.00 0.00 72.50 70.59 1agg s THR 37 CO 0.43 -0.11 1.09 -2.16 -2.21 0.00 0.00 174.62 171.67 1agg s PRO 38 N -0.34 2.59 0.12 7.08 0.04 -1.26 -4.43 135.00 138.79 1agg s PRO 38 Ca -0.04 1.22 0.00 0.00 0.04 0.00 0.00 61.00 62.22 1agg s PRO 38 Cb -0.03 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.57 1agg s PRO 38 CO 0.01 -1.40 0.00 -2.13 0.04 0.00 0.00 177.00 173.52 1agg n ARG 39 N -3.01 -1.86 -0.97 4.56 0.00 -1.26 -5.00 116.66 109.12 1agg n ARG 39 Ca 0.09 1.42 -0.30 0.00 -0.00 0.00 0.00 57.85 59.07 1agg n ARG 39 Cb 0.53 -1.46 0.24 0.00 0.00 0.00 0.00 32.46 31.77 1agg n ARG 39 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.63 177.15 1agg s LEU 40 N -1.03 0.52 -0.03 6.15 0.05 -1.26 -4.61 118.68 118.47 1agg s LEU 40 Ca 0.00 0.74 -0.30 0.00 0.05 0.00 0.00 54.13 54.62 1agg s LEU 40 Cb 0.00 -2.48 -0.06 0.00 -2.05 0.00 0.00 46.19 41.60 1agg s LEU 40 CO 0.00 -4.22 1.66 0.27 -0.55 0.00 0.00 176.35 173.51 1agg s ILE 41 N -2.88 3.46 -0.22 1.48 -4.36 -1.26 -4.76 121.20 112.67 1agg s ILE 41 Ca 0.70 0.64 -0.15 0.00 -0.26 0.00 0.00 60.65 61.58 1agg s ILE 41 Cb -0.12 -3.41 -0.04 0.00 1.25 0.00 0.00 42.46 40.14 1agg s ILE 41 CO 0.57 -0.05 0.38 -0.32 0.24 0.00 0.00 174.94 175.76 1agg s MET 42 N 3.77 4.14 0.02 0.37 1.75 -1.26 -5.02 119.30 123.08 1agg s MET 42 Ca 0.74 0.15 -0.30 0.00 -1.25 0.00 0.00 55.69 55.03 1agg s MET 42 Cb -0.35 -3.56 -0.05 0.00 2.84 0.00 0.00 34.83 33.72 1agg s MET 42 CO 0.31 -0.07 1.18 -1.21 -0.65 0.00 0.00 175.02 174.57 1agg s GLU 43 N 1.42 4.43 0.00 4.11 8.01 -1.26 -2.48 118.70 132.93 1agg s GLU 43 Ca 0.18 1.71 0.00 0.00 0.01 0.00 0.00 54.97 56.86 1agg s GLU 43 Cb -0.15 -3.41 0.00 0.00 -4.31 0.00 0.00 34.13 26.26 1agg s GLU 43 CO 0.08 -0.28 0.00 0.41 0.01 0.00 0.00 175.26 175.48 1agg n GLY 44 N 3.22 2.06 2.89 -1.39 0.00 -1.26 -4.95 105.19 105.76 1agg n GLY 44 Ca 0.09 -0.73 -0.30 0.00 0.00 0.00 0.00 46.02 45.07 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 3.33 -0.13 0.99 1.43 -1.20 -5.12 118.68 117.98 1agg s LEU 45 Ca 0.00 -1.75 -0.23 0.00 -1.03 0.00 0.00 54.13 51.12 1agg s LEU 45 Cb 0.00 -1.24 -0.03 0.00 0.03 0.00 0.00 46.19 44.95 1agg s LEU 45 CO 0.00 -0.36 0.72 -0.44 0.23 0.00 0.00 176.35 176.50 1agg s SER 46 N 1.28 6.90 -0.23 2.29 0.01 -1.04 -4.42 113.70 118.49 1agg s SER 46 Ca 0.07 1.09 -0.16 0.00 1.31 0.00 0.00 55.95 58.26 1agg s SER 46 Cb -0.18 -2.41 0.02 0.00 0.21 0.00 0.00 66.02 63.66 1agg s SER 46 CO -0.14 -0.24 0.29 2.22 0.41 0.00 0.00 173.24 175.78 1agg n PHE 47 N 4.56 -1.67 -0.49 2.43 -1.74 -1.26 -4.93 117.46 114.35 1agg n PHE 47 Ca 0.00 0.71 0.00 0.00 -0.56 0.00 0.00 57.45 57.60 1agg n PHE 47 Cb 0.50 -1.83 0.00 0.00 1.52 0.00 0.00 39.48 39.67 1agg n PHE 47 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20