#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 3.44 -0.34 4.31 1.11 -1.26 -5.02 116.67 118.92 1agg s ASP 2 Ca 0.00 -0.89 -0.07 0.00 0.18 0.00 0.00 52.55 51.77 1agg s ASP 2 Cb 0.00 -1.31 0.19 0.00 1.07 0.00 0.00 42.92 42.87 1agg s ASP 2 CO 0.00 -0.12 1.01 0.54 1.18 0.00 0.00 175.17 177.78 1agg s ASN 3 N 1.35 -0.46 0.22 0.27 4.22 -1.26 -5.18 114.94 114.09 1agg s ASN 3 Ca -0.01 -0.30 0.00 0.00 -2.14 0.00 0.00 52.86 50.41 1agg s ASN 3 Cb -0.16 0.60 -0.04 0.00 1.28 0.00 0.00 41.25 42.93 1agg s ASN 3 CO -0.09 -0.04 0.14 0.00 -2.04 0.00 0.00 177.10 175.07 1agg s ILE 5 N -4.04 4.03 -1.27 0.00 1.01 -1.01 -4.84 121.20 115.08 1agg s ILE 5 Ca 0.39 -1.97 0.00 0.00 0.00 0.00 0.00 60.65 59.07 1agg s ILE 5 Cb 0.07 -3.67 0.00 0.00 0.01 0.00 0.00 42.46 38.87 1agg s ILE 5 CO 0.14 -0.78 0.60 0.00 0.00 0.00 0.00 174.94 174.89 1agg n ALA 6 N 4.69 2.42 -2.63 9.38 0.00 -1.26 -0.56 120.51 132.55 1agg n ALA 6 Ca -0.05 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.16 1agg n ALA 6 Cb 0.41 -1.00 -0.07 0.00 0.00 0.00 0.00 19.45 18.78 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 -1.27 2.26 0.00 0.00 2.02 -1.26 -4.91 118.70 115.54 1agg s GLU 7 Ca 0.00 -1.41 0.14 0.00 0.02 0.00 0.00 54.97 53.72 1agg s GLU 7 Cb 0.00 -2.15 0.29 0.00 0.10 0.00 0.00 34.13 32.37 1agg s GLU 7 CO 0.00 0.37 1.18 -0.40 0.02 0.00 0.00 175.26 176.44 1agg n ASP 8 N -0.80 2.82 -1.86 -0.19 5.75 -1.26 -4.35 116.55 116.65 1agg n ASP 8 Ca -0.07 -1.84 -0.01 0.00 -0.01 0.00 0.00 54.79 52.86 1agg n ASP 8 Cb 0.59 -0.18 0.02 0.00 -1.03 0.00 0.00 41.12 40.52 1agg n ASP 8 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 1agg n TYR 9 N 0.84 -0.14 -1.10 2.11 4.01 -1.23 -3.18 117.16 118.48 1agg n TYR 9 Ca 0.13 -1.08 -0.30 0.00 -0.16 0.00 0.00 57.90 56.49 1agg n TYR 9 Cb 0.44 0.36 0.22 0.00 -0.31 0.00 0.00 39.34 40.05 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 -1.92 1.57 -0.17 2.72 0.00 -1.26 -4.65 107.32 103.61 1agg s GLY 10 Ca 0.18 -0.78 -0.16 0.00 0.00 0.00 0.00 44.72 43.97 1agg s GLY 10 CO -0.09 0.03 0.38 0.54 0.00 0.00 0.00 173.10 173.96 1agg s LYS 11 N -5.27 4.23 0.19 2.90 -0.14 -1.26 -1.84 119.74 118.55 1agg s LYS 11 Ca 0.69 0.21 0.04 0.00 -1.36 0.00 0.00 55.97 55.55 1agg s LYS 11 Cb -0.12 -3.48 -0.02 0.00 -1.68 0.00 0.00 37.83 32.53 1agg s LYS 11 CO 0.57 0.08 0.16 0.00 -0.76 0.00 0.00 175.35 175.40 1agg s THR 13 N -2.76 0.16 -0.79 0.00 2.01 -1.19 -2.41 115.64 110.66 1agg s THR 13 Ca 0.22 -1.81 -0.17 0.00 0.31 0.00 0.00 61.69 60.25 1agg s THR 13 Cb 0.01 -1.75 0.15 0.00 0.01 0.00 0.00 72.50 70.92 1agg s THR 13 CO 0.16 -0.73 0.87 0.26 -0.69 0.00 0.00 174.62 174.49 1agg s TRP 14 N -3.97 3.29 0.00 4.92 0.51 -1.26 -4.15 118.94 118.28 1agg s TRP 14 Ca 0.15 -1.45 0.00 0.00 -2.12 0.00 0.00 56.10 52.68 1agg s TRP 14 Cb 0.07 -4.05 0.00 0.00 -0.81 0.00 0.00 33.47 28.69 1agg s TRP 14 CO -0.05 -1.26 0.00 0.41 -0.51 0.00 0.00 176.95 175.54 1agg n GLY 15 N 4.93 3.12 0.00 0.98 0.00 -1.26 -5.09 105.19 107.86 1agg n GLY 15 Ca 0.10 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 45.01 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 -1.57 3.77 -0.02 0.00 -1.26 -5.00 105.19 101.11 1agg n GLY 16 Ca 0.00 -1.22 -0.40 0.00 0.00 0.00 0.00 46.02 44.40 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 0.00 3.17 0.53 2.61 2.01 -1.26 -4.83 115.64 117.87 1agg s THR 17 Ca 0.00 1.12 0.07 0.00 0.31 0.00 0.00 61.69 63.19 1agg s THR 17 Cb 0.00 -3.69 0.05 0.00 0.01 0.00 0.00 72.50 68.86 1agg s THR 17 CO 0.00 0.23 0.53 -0.54 -0.69 0.00 0.00 174.62 174.14 1agg s LYS 18 N -1.79 2.32 0.23 4.92 -0.14 -1.26 -3.20 119.74 120.82 1agg s LYS 18 Ca 0.49 -1.82 -0.25 0.00 -1.36 0.00 0.00 55.97 53.03 1agg s LYS 18 Cb -0.34 -2.32 -0.09 0.00 -1.68 0.00 0.00 37.83 33.40 1agg s LYS 18 CO 0.44 -0.63 0.84 0.00 -0.76 0.00 0.00 175.35 175.23 1agg n ARG 21 N -5.48 1.98 -3.47 0.00 3.00 -1.26 -4.81 116.66 106.62 1agg n ARG 21 Ca 0.10 -1.92 -0.18 0.00 -0.00 0.00 0.00 57.85 55.85 1agg n ARG 21 Cb 0.37 -1.75 0.09 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 0.07 -0.38 3.64 5.14 0.00 -1.01 -3.40 105.19 109.25 1agg n GLY 22 Ca 0.37 0.12 -0.35 0.00 0.00 0.00 0.00 46.02 46.16 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 -5.50 3.49 1.02 1.61 1.81 -0.91 -2.12 118.95 118.34 1agg s ARG 23 Ca 0.07 -0.39 -0.16 0.00 -1.72 0.00 0.00 55.73 53.53 1agg s ARG 23 Cb -0.03 -2.98 0.20 0.00 -0.45 0.00 0.00 34.95 31.69 1agg s ARG 23 CO 0.73 0.47 1.18 -1.25 -0.68 0.00 0.00 175.30 175.76 1agg s PRO 24 N -0.23 0.24 0.01 3.54 0.04 -1.23 -2.63 135.00 134.74 1agg s PRO 24 Ca 0.06 -0.02 0.02 0.00 0.04 0.00 0.00 61.00 61.10 1agg s PRO 24 Cb -0.12 -1.76 -0.01 0.00 0.04 0.00 0.00 34.50 32.64 1agg s PRO 24 CO 0.02 -2.75 -0.07 0.00 0.04 0.00 0.00 177.00 174.24 1agg s ARG 26 N -0.63 0.31 0.86 0.00 6.06 -0.95 -4.96 118.95 119.65 1agg s ARG 26 Ca -0.01 -0.03 -0.12 0.00 -2.50 0.00 0.00 55.73 53.06 1agg s ARG 26 Cb -0.05 -0.39 0.11 0.00 0.06 0.00 0.00 34.95 34.68 1agg s ARG 26 CO 0.00 -0.03 1.11 0.00 -2.50 0.00 0.00 175.30 173.89 1agg n SER 28 N -3.64 -3.23 0.04 0.00 7.64 -1.24 -4.68 113.62 108.51 1agg n SER 28 Ca 0.07 -0.48 -0.00 0.00 1.01 0.00 0.00 58.87 59.46 1agg n SER 28 Cb 0.58 -0.80 0.29 0.00 -1.01 0.00 0.00 64.21 63.27 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 -2.91 0.41 -0.08 1.43 2.86 -1.92 -3.17 114.93 111.56 1agg h MET 29 Ca -0.24 -0.11 -0.24 0.00 -2.06 0.00 0.00 59.70 57.05 1agg h MET 29 Cb 0.80 -0.05 0.01 0.00 0.06 0.00 0.00 31.60 32.42 1agg h MET 29 CO 0.15 0.54 -0.89 0.97 1.06 0.00 0.00 176.91 178.75 1agg h ILE 30 N 0.38 1.29 0.00 -1.22 6.09 -1.96 -3.49 117.51 118.60 1agg h ILE 30 Ca 0.07 -2.12 0.00 0.00 -1.37 0.00 0.00 64.86 61.44 1agg h ILE 30 Cb 0.47 2.17 0.00 0.00 0.47 0.00 0.00 36.82 39.92 1agg h ILE 30 CO 0.03 0.66 0.00 0.61 -3.07 0.00 0.00 178.15 176.38 1agg n GLY 31 N 0.85 3.86 3.99 8.18 0.00 -1.20 -5.12 105.19 115.75 1agg n GLY 31 Ca -0.08 -0.86 -0.19 0.00 0.00 0.00 0.00 46.02 44.89 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 3.39 -0.36 2.61 -4.23 -1.26 -4.75 115.64 111.04 1agg s THR 32 Ca 0.00 -0.89 -0.02 0.00 -1.18 0.00 0.00 61.69 59.60 1agg s THR 32 Cb 0.00 -3.18 0.00 0.00 1.34 0.00 0.00 72.50 70.66 1agg s THR 32 CO 0.00 -0.08 0.36 0.59 -0.54 0.00 0.00 174.62 174.94 1agg n ASN 33 N -1.89 -5.06 -4.74 3.99 3.02 -1.26 -4.52 115.26 104.81 1agg n ASN 33 Ca 0.05 0.02 -0.30 0.00 -0.03 0.00 0.00 54.58 54.32 1agg n ASN 33 Cb 0.59 -3.27 0.13 0.00 -0.61 0.00 0.00 39.78 36.62 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 -5.02 1.84 0.39 0.00 2.02 -1.12 -1.42 118.70 115.39 1agg s GLU 35 Ca 0.63 -2.04 -0.04 0.00 0.02 0.00 0.00 54.97 53.54 1agg s GLU 35 Cb -0.17 -1.30 -0.04 0.00 0.10 0.00 0.00 34.13 32.72 1agg s GLU 35 CO 0.56 -0.12 0.66 0.00 0.02 0.00 0.00 175.26 176.38 1agg s THR 37 N -2.42 -0.01 0.02 0.00 -4.23 -0.83 -3.47 115.64 104.71 1agg s THR 37 Ca 0.45 0.04 -0.25 0.00 -1.18 0.00 0.00 61.69 60.74 1agg s THR 37 Cb -0.10 -0.06 -0.17 0.00 1.34 0.00 0.00 72.50 73.50 1agg s THR 37 CO 0.37 0.01 1.37 1.55 -0.54 0.00 0.00 174.62 177.38 1agg h PRO 38 N 6.31 -0.27 -2.35 3.99 0.13 -1.86 -3.27 132.00 134.68 1agg h PRO 38 Ca -0.28 0.02 -0.05 0.00 -0.87 0.00 0.00 66.00 64.82 1agg h PRO 38 Cb 1.19 0.06 -0.24 0.00 0.13 0.00 0.00 31.00 32.14 1agg h PRO 38 CO 0.49 0.02 -0.17 -0.98 -0.23 0.00 0.00 178.00 177.13 1agg s ARG 39 N -4.97 0.52 -0.20 0.86 1.70 -1.26 -3.94 118.95 111.67 1agg s ARG 39 Ca -0.15 1.02 -0.04 0.00 -0.47 0.00 0.00 55.73 56.09 1agg s ARG 39 Cb 0.03 0.11 -0.01 0.00 -0.57 0.00 0.00 34.95 34.51 1agg s ARG 39 CO 0.60 -0.16 -0.04 -0.51 -1.08 0.00 0.00 175.30 174.10 1agg s LEU 40 N 1.66 2.97 0.10 -1.89 1.43 -1.26 -4.83 118.68 116.86 1agg s LEU 40 Ca -0.09 -0.33 -0.30 0.00 -1.03 0.00 0.00 54.13 52.38 1agg s LEU 40 Cb -0.07 -1.75 -0.06 0.00 0.03 0.00 0.00 46.19 44.34 1agg s LEU 40 CO -0.16 0.03 1.11 -0.51 0.23 0.00 0.00 176.35 177.04 1agg s ILE 41 N 1.21 4.14 -0.17 -0.59 2.07 -1.26 -2.21 121.20 124.38 1agg s ILE 41 Ca 0.03 1.66 -0.06 0.00 -1.41 0.00 0.00 60.65 60.86 1agg s ILE 41 Cb -0.14 -4.06 0.02 0.00 0.13 0.00 0.00 42.46 38.41 1agg s ILE 41 CO -0.01 0.20 0.13 0.80 -1.91 0.00 0.00 174.94 174.15 1agg n MET 42 N 3.24 -3.20 -1.07 3.50 1.56 -1.26 -4.96 117.12 114.94 1agg n MET 42 Ca 0.06 2.57 0.00 0.00 -0.27 0.00 0.00 57.70 60.06 1agg n MET 42 Cb 0.47 -4.14 0.00 0.00 2.15 0.00 0.00 33.22 31.70 1agg n MET 42 CO 0.00 0.00 0.00 0.39 -0.73 0.00 0.00 175.97 175.63 1agg n GLU 43 N 1.04 -2.95 0.00 2.12 4.71 -1.26 -4.99 120.64 119.30 1agg n GLU 43 Ca -0.22 2.14 0.00 0.00 -0.01 0.00 0.00 57.16 59.07 1agg n GLU 43 Cb 0.34 -2.34 0.00 0.00 -1.01 0.00 0.00 31.44 28.43 1agg n GLU 43 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1agg n GLY 44 N 0.12 1.18 1.01 0.62 0.00 -1.26 -4.58 105.19 102.29 1agg n GLY 44 Ca 0.00 -0.99 0.02 0.00 0.00 0.00 0.00 46.02 45.05 1agg n GLY 44 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1agg n LEU 45 N 0.00 -1.03 -4.70 0.99 4.77 -0.94 -4.69 117.00 111.40 1agg n LEU 45 Ca 0.00 1.82 -0.42 0.00 -0.03 0.00 0.00 56.01 57.38 1agg n LEU 45 Cb 0.00 -1.76 -0.03 0.00 -2.33 0.00 0.00 43.42 39.31 1agg n LEU 45 CO 0.00 -0.68 1.08 -0.94 -1.33 0.00 0.00 177.39 175.52 1agg s SER 46 N -4.82 6.88 -0.29 -1.43 1.04 -1.25 -4.16 113.70 109.66 1agg s SER 46 Ca 0.00 2.13 -0.02 0.00 0.48 0.00 0.00 55.95 58.53 1agg s SER 46 Cb 0.00 -2.57 0.01 0.00 0.10 0.00 0.00 66.02 63.56 1agg s SER 46 CO 0.00 -0.68 0.04 0.33 0.98 0.00 0.00 173.24 173.92 1agg n PHE 47 N 4.96 -4.13 -1.62 5.02 7.35 -0.95 -5.03 117.46 123.05 1agg n PHE 47 Ca 0.12 1.94 0.00 0.00 -0.76 0.00 0.00 57.45 58.75 1agg n PHE 47 Cb 0.44 -4.02 0.00 0.00 0.35 0.00 0.00 39.48 36.25 1agg n PHE 47 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00