#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 6.34 0.20 4.31 -1.08 -1.26 -5.00 116.67 120.19 1agg s ASP 2 Ca 0.00 0.39 0.03 0.00 -0.52 0.00 0.00 52.55 52.45 1agg s ASP 2 Cb 0.00 -2.19 0.14 0.00 -1.46 0.00 0.00 42.92 39.41 1agg s ASP 2 CO 0.00 -0.01 1.48 -1.13 0.52 0.00 0.00 175.17 176.04 1agg h ASN 3 N 7.30 0.30 -3.75 -0.34 -1.24 -2.03 -3.51 115.58 112.31 1agg h ASN 3 Ca -0.37 -0.20 0.22 0.00 0.71 0.00 0.00 56.30 56.66 1agg h ASN 3 Cb 1.16 -0.09 -0.12 0.00 0.73 0.00 0.00 38.32 40.01 1agg h ASN 3 CO 0.71 0.91 -0.76 0.00 -1.29 0.00 0.00 177.43 177.00 1agg s ILE 5 N -3.61 4.25 -1.87 0.00 -1.09 -1.01 -4.84 121.20 113.03 1agg s ILE 5 Ca 0.00 -1.92 0.00 0.00 -2.23 0.00 0.00 60.65 56.50 1agg s ILE 5 Cb 0.00 -3.79 0.00 0.00 -1.58 0.00 0.00 42.46 37.09 1agg s ILE 5 CO 0.00 -0.80 0.81 0.00 -1.23 0.00 0.00 174.94 173.72 1agg n ALA 6 N 4.74 2.36 -2.80 9.38 0.00 -1.26 -0.61 120.51 132.31 1agg n ALA 6 Ca -0.05 0.00 -0.15 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 -1.87 0.48 0.05 0.00 8.01 -1.26 -4.91 118.70 119.19 1agg s GLU 7 Ca 0.00 -0.46 -0.30 0.00 0.01 0.00 0.00 54.97 54.22 1agg s GLU 7 Cb 0.00 -0.37 -0.05 0.00 -4.31 0.00 0.00 34.13 29.41 1agg s GLU 7 CO 0.00 0.09 1.08 -0.51 0.01 0.00 0.00 175.26 175.93 1agg s ASP 8 N -0.80 7.24 -1.52 -0.19 1.01 -1.26 -2.62 116.67 118.52 1agg s ASP 8 Ca -0.03 1.86 -0.01 0.00 0.71 0.00 0.00 52.55 55.07 1agg s ASP 8 Cb -0.06 -2.58 0.01 0.00 1.01 0.00 0.00 42.92 41.30 1agg s ASP 8 CO 0.00 -0.33 0.14 -1.22 0.21 0.00 0.00 175.17 173.96 1agg n TYR 9 N 3.71 -1.33 -2.95 4.23 4.01 -0.59 -4.90 117.16 119.34 1agg n TYR 9 Ca 0.07 0.12 -0.32 0.00 -0.16 0.00 0.00 57.90 57.61 1agg n TYR 9 Cb 0.48 -3.68 -0.06 0.00 -0.31 0.00 0.00 39.34 35.77 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 -2.20 2.27 -0.01 2.72 0.00 -1.08 -4.55 107.32 104.47 1agg s GLY 10 Ca 0.08 0.11 -0.30 0.00 0.00 0.00 0.00 44.72 44.61 1agg s GLY 10 CO 0.10 0.34 1.10 1.25 0.00 0.00 0.00 173.10 175.89 1agg s LYS 11 N -3.26 4.45 0.04 2.90 2.36 -1.26 -1.17 119.74 123.80 1agg s LYS 11 Ca 0.56 1.58 0.01 0.00 -2.55 0.00 0.00 55.97 55.57 1agg s LYS 11 Cb -0.10 -3.46 -0.00 0.00 -1.05 0.00 0.00 37.83 33.22 1agg s LYS 11 CO 0.19 -0.25 0.04 0.00 1.55 0.00 0.00 175.35 176.89 1agg s THR 13 N -2.26 -0.00 -0.45 0.00 -4.23 -1.13 -3.80 115.64 103.78 1agg s THR 13 Ca 0.04 0.01 -0.21 0.00 -1.18 0.00 0.00 61.69 60.35 1agg s THR 13 Cb 0.00 -0.26 0.03 0.00 1.34 0.00 0.00 72.50 73.61 1agg s THR 13 CO 0.03 0.00 0.67 0.86 -0.54 0.00 0.00 174.62 175.64 1agg s TRP 14 N 0.16 3.05 0.00 3.99 -0.00 -1.26 -3.48 118.94 121.40 1agg s TRP 14 Ca -0.01 -0.05 0.00 0.00 -0.00 0.00 0.00 56.10 56.05 1agg s TRP 14 Cb -0.02 -3.41 0.00 0.00 -0.00 0.00 0.00 33.47 30.04 1agg s TRP 14 CO -0.00 -0.90 0.00 0.41 -0.00 0.00 0.00 176.95 176.45 1agg n GLY 15 N 5.04 0.07 0.00 5.86 0.00 -1.26 -5.06 105.19 109.85 1agg n GLY 15 Ca -0.01 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.54 -0.80 3.77 -0.02 0.00 -1.23 -5.12 105.19 101.26 1agg n GLY 16 Ca 0.00 -0.23 -0.38 0.00 0.00 0.00 0.00 46.02 45.41 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 5.00 0.51 2.61 2.01 -1.23 -4.94 115.64 115.59 1agg s THR 17 Ca 0.00 1.05 0.04 0.00 0.31 0.00 0.00 61.69 63.09 1agg s THR 17 Cb 0.00 -3.84 -0.00 0.00 0.01 0.00 0.00 72.50 68.67 1agg s THR 17 CO 0.00 0.45 0.17 -0.54 -0.69 0.00 0.00 174.62 174.00 1agg s LYS 18 N -0.27 2.21 0.40 4.92 3.01 -1.26 -2.82 119.74 125.93 1agg s LYS 18 Ca 0.27 -2.19 -0.25 0.00 -1.01 0.00 0.00 55.97 52.79 1agg s LYS 18 Cb -0.17 -1.79 -0.08 0.00 -1.01 0.00 0.00 37.83 34.78 1agg s LYS 18 CO 0.14 -0.41 1.15 0.00 0.51 0.00 0.00 175.35 176.75 1agg n ARG 21 N -5.24 1.84 -2.56 0.00 0.63 -1.26 -4.66 116.66 105.41 1agg n ARG 21 Ca 0.04 -1.75 -0.08 0.00 -0.92 0.00 0.00 57.85 55.13 1agg n ARG 21 Cb 0.24 -1.69 0.04 0.00 0.45 0.00 0.00 32.46 31.50 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 -0.05 -0.39 3.12 5.14 0.00 -0.78 -4.59 105.19 107.64 1agg n GLY 22 Ca 0.34 0.25 -0.19 0.00 0.00 0.00 0.00 46.02 46.42 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 -3.78 0.86 0.87 1.61 1.81 -1.10 -3.43 118.95 115.79 1agg s ARG 23 Ca 0.26 -0.69 -0.12 0.00 -1.72 0.00 0.00 55.73 53.46 1agg s ARG 23 Cb -0.03 -0.83 0.12 0.00 -0.45 0.00 0.00 34.95 33.75 1agg s ARG 23 CO 0.45 0.21 1.13 -1.25 -0.68 0.00 0.00 175.30 175.15 1agg s PRO 24 N -1.05 1.45 -0.02 3.54 0.04 -1.23 -1.96 135.00 135.77 1agg s PRO 24 Ca 0.01 0.39 -0.00 0.00 0.04 0.00 0.00 61.00 61.43 1agg s PRO 24 Cb -0.07 -1.87 0.03 0.00 0.04 0.00 0.00 34.50 32.63 1agg s PRO 24 CO 0.01 -2.00 0.03 0.00 0.04 0.00 0.00 177.00 175.08 1agg s ARG 26 N 1.00 0.10 0.66 0.00 0.52 -0.25 -4.73 118.95 116.25 1agg s ARG 26 Ca -0.08 0.20 -0.11 0.00 -0.52 0.00 0.00 55.73 55.22 1agg s ARG 26 Cb -0.12 -0.02 0.16 0.00 0.52 0.00 0.00 34.95 35.49 1agg s ARG 26 CO -0.03 -0.06 0.71 0.00 0.02 0.00 0.00 175.30 175.94 1agg n SER 28 N -3.84 -0.20 -0.00 0.00 2.88 -1.26 -4.61 113.62 106.59 1agg n SER 28 Ca 0.09 -0.28 -0.13 0.00 -1.33 0.00 0.00 58.87 57.23 1agg n SER 28 Cb 0.34 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.71 1agg n SER 28 CO 0.00 0.00 0.00 -0.03 -1.23 0.00 0.00 175.04 173.78 1agg h MET 29 N 0.00 -0.02 0.00 -1.46 4.05 -1.93 -3.16 114.93 112.41 1agg h MET 29 Ca 0.00 0.00 -0.17 0.00 -0.28 0.00 0.00 59.70 59.25 1agg h MET 29 Cb 0.00 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 30.78 1agg h MET 29 CO 0.00 0.41 -0.83 0.97 0.23 0.00 0.00 176.91 177.69 1agg h ILE 30 N -0.45 1.52 0.00 1.77 6.09 -2.00 -3.49 117.51 120.95 1agg h ILE 30 Ca -0.00 -2.91 0.00 0.00 -1.37 0.00 0.00 64.86 60.58 1agg h ILE 30 Cb 0.44 2.60 0.00 0.00 0.47 0.00 0.00 36.82 40.33 1agg h ILE 30 CO 0.00 0.81 0.00 0.61 -3.07 0.00 0.00 178.15 176.51 1agg n GLY 31 N 1.04 2.40 3.88 8.18 0.00 -1.20 -5.11 105.19 114.40 1agg n GLY 31 Ca -0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.25 4.60 -1.10 2.61 -4.23 -1.26 -4.31 115.64 109.70 1agg s THR 32 Ca 0.00 0.60 -0.09 0.00 -1.18 0.00 0.00 61.69 61.02 1agg s THR 32 Cb 0.00 -3.81 -0.04 0.00 1.34 0.00 0.00 72.50 69.99 1agg s THR 32 CO 0.00 -0.98 0.88 -0.46 -0.54 0.00 0.00 174.62 173.52 1agg n ASN 33 N -2.62 -5.52 -4.76 3.99 6.94 -1.26 -4.24 115.26 107.79 1agg n ASN 33 Ca 0.04 -0.79 -0.35 0.00 -0.02 0.00 0.00 54.58 53.46 1agg n ASN 33 Cb 0.55 -4.65 0.04 0.00 -2.36 0.00 0.00 39.78 33.36 1agg n ASN 33 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1agg s GLU 35 N -3.53 1.77 0.39 0.00 2.02 -1.09 -1.33 118.70 116.92 1agg s GLU 35 Ca 0.74 -2.04 -0.07 0.00 0.02 0.00 0.00 54.97 53.62 1agg s GLU 35 Cb -0.27 -0.41 -0.05 0.00 0.10 0.00 0.00 34.13 33.50 1agg s GLU 35 CO 0.35 -0.44 0.71 0.00 0.02 0.00 0.00 175.26 175.89 1agg s THR 37 N -2.38 1.18 0.08 0.00 -4.23 -0.71 -1.54 115.64 108.04 1agg s THR 37 Ca 0.48 -0.54 -0.16 0.00 -1.18 0.00 0.00 61.69 60.29 1agg s THR 37 Cb -0.10 -1.05 -0.04 0.00 1.34 0.00 0.00 72.50 72.64 1agg s THR 37 CO 0.34 0.36 1.27 -0.65 -0.54 0.00 0.00 174.62 175.40 1agg h PRO 38 N 6.67 -0.06 0.00 3.99 0.11 -1.95 -3.33 132.00 137.43 1agg h PRO 38 Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1agg h PRO 38 Cb 1.18 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1agg h PRO 38 CO 0.48 -0.04 0.00 -2.13 -0.21 0.00 0.00 178.00 176.10 1agg n ARG 39 N -4.10 0.00 0.00 1.05 0.63 -1.26 -4.64 116.66 108.34 1agg n ARG 39 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1agg n ARG 39 Cb 0.14 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.05 1agg n ARG 39 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 1agg n LEU 40 N -1.29 0.00 -4.20 6.15 7.94 -1.26 -4.22 117.00 120.11 1agg n LEU 40 Ca 0.00 0.00 -0.31 0.00 -1.11 0.00 0.00 56.01 54.59 1agg n LEU 40 Cb 0.00 0.00 -0.17 0.00 0.53 0.00 0.00 43.42 43.78 1agg n LEU 40 CO 0.00 0.00 -0.55 0.27 -1.11 0.00 0.00 177.39 176.00 1agg s ILE 41 N 0.00 1.91 -0.17 1.96 -4.36 -1.26 -5.13 121.20 114.16 1agg s ILE 41 Ca 0.00 -0.95 -0.29 0.00 -0.26 0.00 0.00 60.65 59.15 1agg s ILE 41 Cb 0.00 -1.65 -0.00 0.00 1.25 0.00 0.00 42.46 42.06 1agg s ILE 41 CO 0.00 0.53 1.03 -0.32 0.24 0.00 0.00 174.94 176.42 1agg s MET 42 N 0.25 4.34 -0.19 0.37 -2.45 -1.26 -4.84 119.30 115.52 1agg s MET 42 Ca -0.14 1.38 -0.01 0.00 -1.25 0.00 0.00 55.69 55.67 1agg s MET 42 Cb -0.16 -3.59 0.05 0.00 1.25 0.00 0.00 34.83 32.37 1agg s MET 42 CO 0.07 -0.48 -0.01 -1.83 1.05 0.00 0.00 175.02 173.82 1agg s GLU 43 N 2.63 1.09 0.00 4.11 -1.05 -1.26 -4.95 118.70 119.27 1agg s GLU 43 Ca 0.46 -0.54 0.00 0.00 -0.15 0.00 0.00 54.97 54.75 1agg s GLU 43 Cb -0.17 -2.11 0.00 0.00 -0.44 0.00 0.00 34.13 31.42 1agg s GLU 43 CO 0.12 -0.55 0.00 0.41 0.95 0.00 0.00 175.26 176.19 1agg n GLY 44 N 4.92 -1.86 2.84 -3.83 0.00 -1.26 -3.55 105.19 102.45 1agg n GLY 44 Ca -0.10 0.65 -0.05 0.00 0.00 0.00 0.00 46.02 46.52 1agg n GLY 44 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1agg n LEU 45 N 0.00 -7.47 -3.15 0.99 7.94 -1.22 -4.92 117.00 109.16 1agg n LEU 45 Ca 0.00 0.96 0.04 0.00 -1.11 0.00 0.00 56.01 55.90 1agg n LEU 45 Cb 0.00 -3.18 -0.00 0.00 0.53 0.00 0.00 43.42 40.76 1agg n LEU 45 CO 0.00 -2.64 0.15 -0.94 -1.11 0.00 0.00 177.39 172.85 1agg s SER 46 N -1.96 -1.47 -0.19 1.96 1.04 -1.26 -4.91 113.70 106.90 1agg s SER 46 Ca 0.11 0.46 -0.08 0.00 0.48 0.00 0.00 55.95 56.92 1agg s SER 46 Cb -0.03 2.05 0.03 0.00 0.10 0.00 0.00 66.02 68.17 1agg s SER 46 CO 0.74 -0.27 0.17 0.33 0.98 0.00 0.00 173.24 175.18 1agg n PHE 47 N 5.42 -3.87 -0.37 5.02 7.35 -1.26 -1.86 117.46 127.89 1agg n PHE 47 Ca 0.02 2.13 0.00 0.00 -0.76 0.00 0.00 57.45 58.84 1agg n PHE 47 Cb 0.53 -3.67 0.00 0.00 0.35 0.00 0.00 39.48 36.69 1agg n PHE 47 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00