#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1agg s ASP 2 N 0.00 5.32 0.00 1.62 1.01 -1.26 -4.89 116.67 118.47 1agg s ASP 2 Ca 0.00 -2.35 0.00 0.00 0.71 0.00 0.00 52.55 50.91 1agg s ASP 2 Cb 0.00 -1.86 0.00 0.00 1.01 0.00 0.00 42.92 42.07 1agg s ASP 2 CO 0.00 -0.49 0.00 -3.20 0.21 0.00 0.00 175.17 171.69 1agg n ASN 3 N 4.18 0.00 -4.49 0.27 5.15 -1.26 -5.19 115.26 113.92 1agg n ASN 3 Ca 0.01 0.00 -0.24 0.00 -0.60 0.00 0.00 54.58 53.75 1agg n ASN 3 Cb 0.40 0.00 -0.10 0.00 -0.53 0.00 0.00 39.78 39.55 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 -3.10 4.51 -1.99 0.00 -1.09 -1.02 -4.84 121.20 113.66 1agg s ILE 5 Ca 0.33 -1.86 0.00 0.00 -2.23 0.00 0.00 60.65 56.89 1agg s ILE 5 Cb 0.08 -3.93 0.00 0.00 -1.58 0.00 0.00 42.46 37.03 1agg s ILE 5 CO 0.15 -0.82 0.84 0.00 -1.23 0.00 0.00 174.94 173.88 1agg n ALA 6 N 4.81 2.34 -2.83 9.38 0.00 -1.26 -0.59 120.51 132.36 1agg n ALA 6 Ca -0.06 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.24 1agg n ALA 6 Cb 0.41 -1.00 -0.13 0.00 0.00 0.00 0.00 19.45 18.73 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 -1.99 0.32 0.11 0.00 8.01 -1.26 -4.90 118.70 118.99 1agg s GLU 7 Ca 0.00 -0.30 -0.30 0.00 0.01 0.00 0.00 54.97 54.38 1agg s GLU 7 Cb 0.00 -0.22 -0.06 0.00 -4.31 0.00 0.00 34.13 29.53 1agg s GLU 7 CO 0.00 0.05 1.14 -0.51 0.01 0.00 0.00 175.26 175.95 1agg s ASP 8 N -0.52 7.18 -1.49 -0.19 1.01 -1.26 -2.38 116.67 119.02 1agg s ASP 8 Ca -0.03 2.02 -0.04 0.00 0.71 0.00 0.00 52.55 55.21 1agg s ASP 8 Cb -0.04 -2.59 0.02 0.00 1.01 0.00 0.00 42.92 41.32 1agg s ASP 8 CO -0.00 -0.35 0.40 -1.22 0.21 0.00 0.00 175.17 174.21 1agg n TYR 9 N 3.23 -1.69 -3.26 4.23 4.01 -0.47 -4.90 117.16 118.31 1agg n TYR 9 Ca 0.06 0.35 -0.32 0.00 -0.16 0.00 0.00 57.90 57.83 1agg n TYR 9 Cb 0.47 -3.91 -0.06 0.00 -0.31 0.00 0.00 39.34 35.52 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 -2.50 2.32 -0.09 2.72 0.00 -1.00 -4.59 107.32 104.18 1agg s GLY 10 Ca 0.23 -0.09 -0.30 0.00 0.00 0.00 0.00 44.72 44.56 1agg s GLY 10 CO 0.28 0.09 1.25 -1.59 0.00 0.00 0.00 173.10 173.13 1agg s LYS 11 N -2.89 4.30 0.00 2.90 0.00 -1.26 -1.37 119.74 121.43 1agg s LYS 11 Ca 0.51 1.71 0.00 0.00 0.00 0.00 0.00 55.97 58.19 1agg s LYS 11 Cb -0.11 -3.63 0.00 0.00 0.00 0.00 0.00 37.83 34.09 1agg s LYS 11 CO 0.19 -0.55 0.00 0.00 0.00 0.00 0.00 175.35 174.99 1agg s THR 13 N -1.78 0.05 -0.50 0.00 -4.23 -1.14 -3.87 115.64 104.17 1agg s THR 13 Ca 0.00 -0.41 -0.22 0.00 -1.18 0.00 0.00 61.69 59.88 1agg s THR 13 Cb 0.00 -0.13 0.04 0.00 1.34 0.00 0.00 72.50 73.75 1agg s THR 13 CO 0.00 -0.23 0.75 0.86 -0.54 0.00 0.00 174.62 175.46 1agg s TRP 14 N -0.67 2.96 0.00 3.99 -0.00 -1.26 -3.64 118.94 120.33 1agg s TRP 14 Ca -0.07 -0.17 0.00 0.00 -0.00 0.00 0.00 56.10 55.86 1agg s TRP 14 Cb -0.05 -3.68 0.00 0.00 -0.00 0.00 0.00 33.47 29.74 1agg s TRP 14 CO -0.00 -1.09 0.00 0.41 -0.00 0.00 0.00 176.95 176.27 1agg n GLY 15 N 5.10 -0.16 0.00 5.86 0.00 -1.26 -5.06 105.19 109.67 1agg n GLY 15 Ca -0.02 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.97 3.79 -0.02 0.00 -1.24 -5.12 105.19 100.95 1agg n GLY 16 Ca 0.00 -0.04 -0.39 0.00 0.00 0.00 0.00 46.02 45.60 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 -4.00 4.87 0.51 2.61 2.01 -1.25 -4.94 115.64 115.44 1agg s THR 17 Ca 0.00 1.15 0.02 0.00 0.31 0.00 0.00 61.69 63.17 1agg s THR 17 Cb 0.00 -3.88 -0.01 0.00 0.01 0.00 0.00 72.50 68.62 1agg s THR 17 CO 0.00 0.50 0.04 -0.54 -0.69 0.00 0.00 174.62 173.92 1agg s LYS 18 N -0.66 2.19 0.34 4.92 1.02 -1.26 -2.90 119.74 123.38 1agg s LYS 18 Ca 0.29 -2.35 -0.27 0.00 0.02 0.00 0.00 55.97 53.65 1agg s LYS 18 Cb -0.18 -1.59 -0.09 0.00 -0.52 0.00 0.00 37.83 35.45 1agg s LYS 18 CO 0.17 -0.37 1.14 0.00 -0.92 0.00 0.00 175.35 175.38 1agg n ARG 21 N -5.42 1.96 -1.73 0.00 3.00 -1.26 -4.84 116.66 108.37 1agg n ARG 21 Ca -0.02 -1.99 -0.01 0.00 -0.00 0.00 0.00 57.85 55.83 1agg n ARG 21 Cb 0.34 -1.78 0.01 0.00 0.00 0.00 0.00 32.46 31.03 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 -0.18 0.28 2.99 5.14 0.00 -1.11 -5.11 105.19 107.19 1agg n GLY 22 Ca 0.39 -0.14 -0.20 0.00 0.00 0.00 0.00 46.02 46.07 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 0.86 0.67 1.61 1.81 -1.13 -5.05 118.95 114.59 1agg s ARG 23 Ca 0.04 -0.27 -0.11 0.00 -1.72 0.00 0.00 55.73 53.67 1agg s ARG 23 Cb -0.01 -0.82 -0.01 0.00 -0.45 0.00 0.00 34.95 33.67 1agg s ARG 23 CO 0.10 0.10 1.05 -1.25 -0.68 0.00 0.00 175.30 174.62 1agg s PRO 24 N 0.20 3.13 0.13 3.54 0.04 -1.26 -1.86 135.00 138.92 1agg s PRO 24 Ca -0.03 0.92 0.06 0.00 0.04 0.00 0.00 61.00 61.99 1agg s PRO 24 Cb -0.08 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.40 1agg s PRO 24 CO 0.00 -0.94 -0.02 0.00 0.04 0.00 0.00 177.00 176.08 1agg s ARG 26 N -2.60 0.18 0.97 0.00 3.52 -0.67 -4.92 118.95 115.43 1agg s ARG 26 Ca 0.26 0.45 -0.15 0.00 -0.13 0.00 0.00 55.73 56.15 1agg s ARG 26 Cb -0.10 -0.10 0.18 0.00 -1.56 0.00 0.00 34.95 33.37 1agg s ARG 26 CO 0.18 -0.14 1.23 0.00 -0.81 0.00 0.00 175.30 175.75 1agg n SER 28 N -3.86 -2.77 -0.22 0.00 7.64 -1.26 -4.72 113.62 108.43 1agg n SER 28 Ca 0.12 -0.31 -0.07 0.00 1.01 0.00 0.00 58.87 59.63 1agg n SER 28 Cb 0.60 -0.91 0.04 0.00 -1.01 0.00 0.00 64.21 62.93 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 -2.49 0.89 -0.03 1.43 0.00 -1.97 -2.86 114.93 109.89 1agg h MET 29 Ca -0.43 -0.13 -0.21 0.00 0.00 0.00 0.00 59.70 58.94 1agg h MET 29 Cb 1.16 -0.16 -0.00 0.00 0.00 0.00 0.00 31.60 32.59 1agg h MET 29 CO 0.30 0.71 -0.86 -0.84 0.00 0.00 0.00 176.91 176.21 1agg h ILE 30 N 0.86 1.39 -2.03 -1.22 3.07 -2.01 -3.49 117.51 114.08 1agg h ILE 30 Ca 0.22 -2.33 0.00 0.00 1.55 0.00 0.00 64.86 64.30 1agg h ILE 30 Cb 0.10 2.30 0.00 0.00 -0.27 0.00 0.00 36.82 38.95 1agg h ILE 30 CO -0.03 0.70 0.00 0.61 -1.05 0.00 0.00 178.15 178.38 1agg n GLY 31 N 0.80 0.74 0.00 0.16 0.00 -1.08 -5.03 105.19 100.77 1agg n GLY 31 Ca -0.06 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.94 0.00 -2.53 2.61 -1.04 -1.26 -4.93 114.28 106.19 1agg n THR 32 Ca 0.00 0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 61.70 1agg n THR 32 Cb 0.34 0.00 -0.00 0.00 -1.82 0.00 0.00 70.33 68.84 1agg n THR 32 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 1agg n ASN 33 N -0.86 5.39 -4.54 8.00 2.85 -1.26 -5.06 115.26 119.77 1agg n ASN 33 Ca 0.00 -3.73 -0.36 0.00 -0.11 0.00 0.00 54.58 50.38 1agg n ASN 33 Cb 0.00 -0.66 0.07 0.00 1.24 0.00 0.00 39.78 40.43 1agg n ASN 33 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1agg s GLU 35 N -2.90 1.41 0.41 0.00 8.01 -1.13 -1.36 118.70 123.14 1agg s GLU 35 Ca 0.70 -1.78 -0.09 0.00 0.01 0.00 0.00 54.97 53.82 1agg s GLU 35 Cb -0.37 0.08 -0.06 0.00 -4.31 0.00 0.00 34.13 29.47 1agg s GLU 35 CO 0.53 -0.42 0.76 0.00 0.01 0.00 0.00 175.26 176.14 1agg s THR 37 N -2.43 -0.04 -1.06 0.00 -4.23 -0.94 -1.37 115.64 105.57 1agg s THR 37 Ca 0.50 0.15 -0.23 0.00 -1.18 0.00 0.00 61.69 60.94 1agg s THR 37 Cb -0.10 -0.16 -0.02 0.00 1.34 0.00 0.00 72.50 73.55 1agg s THR 37 CO 0.34 0.06 1.81 -2.16 -0.54 0.00 0.00 174.62 174.13 1agg s PRO 38 N 0.90 2.97 0.07 3.99 0.04 -1.26 -4.08 135.00 137.62 1agg s PRO 38 Ca -0.07 -0.95 0.00 0.00 0.04 0.00 0.00 61.00 60.02 1agg s PRO 38 Cb -0.10 -5.24 0.00 0.00 0.04 0.00 0.00 34.50 29.20 1agg s PRO 38 CO -0.04 -3.13 0.00 -2.13 0.04 0.00 0.00 177.00 171.74 1agg n ARG 39 N 8.64 -4.64 -2.61 4.56 0.63 -1.26 -4.96 116.66 117.02 1agg n ARG 39 Ca 0.41 3.41 -0.42 0.00 -0.92 0.00 0.00 57.85 60.33 1agg n ARG 39 Cb 0.48 -4.04 -0.03 0.00 0.45 0.00 0.00 32.46 29.32 1agg n ARG 39 CO 0.00 0.00 0.00 -0.48 -2.51 0.00 0.00 177.63 174.64 1agg s LEU 40 N -0.50 4.33 -0.02 6.15 2.34 -1.26 -5.01 118.68 124.70 1agg s LEU 40 Ca 0.00 1.73 -0.25 0.00 0.06 0.00 0.00 54.13 55.67 1agg s LEU 40 Cb 0.00 -3.57 -0.04 0.00 -0.56 0.00 0.00 46.19 42.02 1agg s LEU 40 CO 0.00 -0.39 0.76 0.27 -1.06 0.00 0.00 176.35 175.93 1agg s ILE 41 N 1.43 4.92 -0.32 1.48 -4.36 -1.26 -5.03 121.20 118.06 1agg s ILE 41 Ca 0.53 1.60 -0.23 0.00 -0.26 0.00 0.00 60.65 62.29 1agg s ILE 41 Cb -0.23 -4.11 0.00 0.00 1.25 0.00 0.00 42.46 39.38 1agg s ILE 41 CO 0.25 0.27 0.76 0.00 0.24 0.00 0.00 174.94 176.47 1agg s MET 42 N 0.56 3.90 -0.04 0.37 0.23 -1.26 -5.04 119.30 118.02 1agg s MET 42 Ca 0.40 0.48 0.05 0.00 -1.03 0.00 0.00 55.69 55.59 1agg s MET 42 Cb -0.19 -3.75 -0.01 0.00 -1.53 0.00 0.00 34.83 29.35 1agg s MET 42 CO 0.21 -0.71 -0.20 -1.21 -2.03 0.00 0.00 175.02 171.08 1agg s GLU 43 N 2.94 1.98 0.00 3.16 0.41 -1.26 -4.98 118.70 120.95 1agg s GLU 43 Ca 0.31 -0.73 0.00 0.00 -0.41 0.00 0.00 54.97 54.14 1agg s GLU 43 Cb -0.14 -1.75 0.00 0.00 -1.78 0.00 0.00 34.13 30.46 1agg s GLU 43 CO 0.13 0.34 0.00 0.41 -0.49 0.00 0.00 175.26 175.65 1agg n GLY 44 N 2.93 -2.13 3.38 -1.39 0.00 -1.26 -5.02 105.19 101.71 1agg n GLY 44 Ca -0.17 0.81 -0.46 0.00 0.00 0.00 0.00 46.02 46.20 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 5.98 -0.49 0.99 2.96 -1.26 -4.90 118.68 121.96 1agg s LEU 45 Ca 0.00 -2.38 0.07 0.00 -0.22 0.00 0.00 54.13 51.60 1agg s LEU 45 Cb 0.00 -2.30 0.26 0.00 0.50 0.00 0.00 46.19 44.65 1agg s LEU 45 CO 0.00 -0.80 0.64 -0.24 -1.32 0.00 0.00 176.35 174.63 1agg n SER 46 N 5.15 1.79 0.00 3.68 2.88 -1.26 -4.84 113.62 121.02 1agg n SER 46 Ca 0.18 -3.04 0.00 0.00 -1.33 0.00 0.00 58.87 54.67 1agg n SER 46 Cb 0.48 -0.65 0.00 0.00 -0.75 0.00 0.00 64.21 63.29 1agg n SER 46 CO 0.00 0.00 0.00 2.22 -1.23 0.00 0.00 175.04 176.03 1agg n PHE 47 N 1.05 -1.37 0.07 0.66 -1.74 -1.26 -5.20 117.46 109.67 1agg n PHE 47 Ca 0.25 0.00 0.01 0.00 -0.56 0.00 0.00 57.45 57.15 1agg n PHE 47 Cb 0.49 0.27 0.01 0.00 1.52 0.00 0.00 39.48 41.77 1agg n PHE 47 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20