#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 6.86 -1.95 4.31 1.47 -1.26 -4.31 116.67 121.80 1agg s ASP 2 Ca 0.00 1.02 0.00 0.00 1.18 0.00 0.00 52.55 54.75 1agg s ASP 2 Cb 0.00 -2.30 0.00 0.00 -0.34 0.00 0.00 42.92 40.28 1agg s ASP 2 CO 0.00 0.21 0.00 0.59 0.68 0.00 0.00 175.17 176.65 1agg n ASN 3 N 2.35 -5.44 -4.93 2.11 4.13 -1.26 -5.02 115.26 107.20 1agg n ASN 3 Ca -0.11 0.32 -0.20 0.00 1.68 0.00 0.00 54.58 56.27 1agg n ASN 3 Cb 0.52 -4.60 0.05 0.00 -1.54 0.00 0.00 39.78 34.20 1agg n ASN 3 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1agg s ILE 5 N -2.72 4.57 -1.09 0.00 1.01 -1.07 -4.83 121.20 117.06 1agg s ILE 5 Ca 0.60 -2.78 0.00 0.00 0.00 0.00 0.00 60.65 58.46 1agg s ILE 5 Cb -0.08 -3.89 0.00 0.00 0.01 0.00 0.00 42.46 38.50 1agg s ILE 5 CO 0.39 -0.95 0.52 0.00 0.00 0.00 0.00 174.94 174.89 1agg n ALA 6 N 3.65 2.43 -2.44 9.38 0.00 -1.26 -0.92 120.51 131.35 1agg n ALA 6 Ca 0.11 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.31 1agg n ALA 6 Cb 0.42 -1.00 -0.06 0.00 0.00 0.00 0.00 19.45 18.80 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 -1.09 2.32 -0.15 0.00 8.01 -1.26 -4.94 118.70 121.58 1agg s GLU 7 Ca 0.00 -1.69 -0.01 0.00 0.01 0.00 0.00 54.97 53.28 1agg s GLU 7 Cb 0.00 -2.11 -0.01 0.00 -4.31 0.00 0.00 34.13 27.70 1agg s GLU 7 CO 0.00 -0.04 -0.11 -0.51 0.01 0.00 0.00 175.26 174.62 1agg s ASP 8 N -3.91 4.09 -1.56 -0.19 1.01 -1.26 -4.44 116.67 110.41 1agg s ASP 8 Ca 0.41 -0.34 -0.03 0.00 0.71 0.00 0.00 52.55 53.30 1agg s ASP 8 Cb 0.00 -1.64 0.00 0.00 1.01 0.00 0.00 42.92 42.29 1agg s ASP 8 CO 0.23 0.12 0.39 -1.22 0.21 0.00 0.00 175.17 174.90 1agg n TYR 9 N 3.84 -1.56 -3.14 4.23 4.01 -0.48 -4.90 117.16 119.16 1agg n TYR 9 Ca -0.18 0.33 -0.31 0.00 -0.16 0.00 0.00 57.90 57.58 1agg n TYR 9 Cb 0.52 -4.18 -0.05 0.00 -0.31 0.00 0.00 39.34 35.33 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 -2.51 2.15 -0.07 2.72 0.00 -1.26 -4.55 107.32 103.80 1agg s GLY 10 Ca 0.19 -0.17 -0.30 0.00 0.00 0.00 0.00 44.72 44.45 1agg s GLY 10 CO 0.24 0.01 1.19 0.54 0.00 0.00 0.00 173.10 175.08 1agg s LYS 11 N -3.26 4.34 0.37 2.90 1.02 -1.26 -0.82 119.74 123.02 1agg s LYS 11 Ca 0.51 1.65 0.04 0.00 0.02 0.00 0.00 55.97 58.18 1agg s LYS 11 Cb -0.10 -3.58 -0.03 0.00 -0.52 0.00 0.00 37.83 33.59 1agg s LYS 11 CO 0.24 -0.47 0.15 0.00 -0.92 0.00 0.00 175.35 174.34 1agg s THR 13 N -3.35 0.11 -0.72 0.00 -4.23 -1.21 -2.20 115.64 104.04 1agg s THR 13 Ca 0.30 -0.95 -0.25 0.00 -1.18 0.00 0.00 61.69 59.61 1agg s THR 13 Cb 0.04 -0.74 0.05 0.00 1.34 0.00 0.00 72.50 73.19 1agg s THR 13 CO 0.17 -0.52 1.14 0.26 -0.54 0.00 0.00 174.62 175.13 1agg s TRP 14 N -2.20 2.48 0.00 3.99 0.51 -1.26 -3.15 118.94 119.31 1agg s TRP 14 Ca -0.08 -0.34 0.00 0.00 -2.12 0.00 0.00 56.10 53.56 1agg s TRP 14 Cb -0.03 -4.48 0.00 0.00 -0.81 0.00 0.00 33.47 28.15 1agg s TRP 14 CO -0.03 -1.87 0.00 0.41 -0.51 0.00 0.00 176.95 174.95 1agg n GLY 15 N 5.42 0.89 0.00 0.98 0.00 -1.26 -5.11 105.19 106.11 1agg n GLY 15 Ca 0.02 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.22 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 3.76 -0.02 0.00 -1.19 -5.14 105.19 104.18 1agg n GLY 16 Ca 0.00 -0.38 -0.40 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.28 4.39 0.56 2.61 2.01 -1.26 -4.91 115.64 117.76 1agg s THR 17 Ca 0.00 1.80 0.08 0.00 0.31 0.00 0.00 61.69 63.89 1agg s THR 17 Cb 0.00 -4.19 0.08 0.00 0.01 0.00 0.00 72.50 68.40 1agg s THR 17 CO 0.00 0.47 0.77 -0.54 -0.69 0.00 0.00 174.62 174.63 1agg s LYS 18 N -0.82 2.35 -0.46 4.92 -0.14 -1.26 -3.32 119.74 121.01 1agg s LYS 18 Ca 0.38 -1.52 -0.19 0.00 -1.36 0.00 0.00 55.97 53.29 1agg s LYS 18 Cb -0.23 -2.64 0.04 0.00 -1.68 0.00 0.00 37.83 33.31 1agg s LYS 18 CO 0.27 -0.81 0.56 0.00 -0.76 0.00 0.00 175.35 174.62 1agg n ARG 21 N 0.00 1.95 0.00 0.00 1.85 -1.26 -4.59 116.66 114.62 1agg n ARG 21 Ca 0.00 -2.23 0.00 0.00 -1.00 0.00 0.00 57.85 54.62 1agg n ARG 21 Cb 0.00 -1.87 0.00 0.00 -1.05 0.00 0.00 32.46 29.54 1agg n ARG 21 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1agg n GLY 22 N -0.70 0.00 3.67 2.89 0.00 -1.21 -5.13 105.19 104.70 1agg n GLY 22 Ca 0.44 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.10 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 0.00 4.08 0.62 1.61 3.00 -0.30 -4.80 118.95 123.16 1agg s ARG 23 Ca 0.00 -0.27 -0.10 0.00 0.00 0.00 0.00 55.73 55.35 1agg s ARG 23 Cb 0.00 -3.46 0.15 0.00 0.00 0.00 0.00 34.95 31.63 1agg s ARG 23 CO 0.00 0.14 0.74 -0.35 0.00 0.00 0.00 175.30 175.83 1agg n PRO 24 N 4.01 -1.22 -4.27 3.54 -0.04 -1.26 -2.78 135.00 132.99 1agg n PRO 24 Ca -0.15 -1.15 -0.18 0.00 -0.04 0.00 0.00 63.50 61.98 1agg n PRO 24 Cb 0.52 -0.85 -0.13 0.00 -0.04 0.00 0.00 33.50 33.00 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 -0.99 1.40 0.82 0.00 3.52 -0.67 -4.95 118.95 118.07 1agg s ARG 26 Ca -0.01 -0.29 -0.12 0.00 -0.13 0.00 0.00 55.73 55.18 1agg s ARG 26 Cb -0.07 -1.24 0.08 0.00 -1.56 0.00 0.00 34.95 32.16 1agg s ARG 26 CO 0.01 -0.04 1.13 0.00 -0.81 0.00 0.00 175.30 175.59 1agg s SER 28 N -4.23 -1.36 0.40 0.00 0.01 -1.24 -4.71 113.70 102.57 1agg s SER 28 Ca 0.61 0.89 0.10 0.00 1.31 0.00 0.00 55.95 58.87 1agg s SER 28 Cb -0.13 -1.27 0.82 0.00 0.21 0.00 0.00 66.02 65.65 1agg s SER 28 CO 0.52 -5.55 1.94 0.24 0.41 0.00 0.00 173.24 170.80 1agg h MET 29 N -3.55 0.25 0.24 12.44 2.86 -1.91 -3.20 114.93 122.06 1agg h MET 29 Ca -0.43 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.15 1agg h MET 29 Cb 1.35 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.97 1agg h MET 29 CO 0.28 0.35 -0.12 0.82 1.06 0.00 0.00 176.91 179.30 1agg h ILE 30 N 0.24 0.23 0.00 -1.22 1.08 -1.95 -3.50 117.51 112.39 1agg h ILE 30 Ca 0.05 -0.87 0.00 0.00 -0.39 0.00 0.00 64.86 63.65 1agg h ILE 30 Cb 0.32 0.40 0.00 0.00 -3.07 0.00 0.00 36.82 34.47 1agg h ILE 30 CO 0.02 0.06 0.00 0.61 -0.69 0.00 0.00 178.15 178.15 1agg n GLY 31 N 0.83 2.90 3.88 5.37 0.00 -1.21 -5.12 105.19 111.83 1agg n GLY 31 Ca -0.05 -0.42 -0.30 0.00 0.00 0.00 0.00 46.02 45.25 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 4.75 -0.56 2.61 -4.23 -1.26 -4.50 115.64 112.46 1agg s THR 32 Ca 0.00 0.71 -0.00 0.00 -1.18 0.00 0.00 61.69 61.22 1agg s THR 32 Cb 0.00 -3.85 -0.00 0.00 1.34 0.00 0.00 72.50 69.99 1agg s THR 32 CO 0.00 -0.99 0.52 0.59 -0.54 0.00 0.00 174.62 174.20 1agg n ASN 33 N -2.42 -6.11 -4.73 3.99 3.02 -1.26 -4.66 115.26 103.09 1agg n ASN 33 Ca 0.04 -0.10 -0.29 0.00 -0.03 0.00 0.00 54.58 54.20 1agg n ASN 33 Cb 0.54 -4.10 0.14 0.00 -0.61 0.00 0.00 39.78 35.75 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 -5.00 1.51 0.57 0.00 2.02 -1.10 -1.58 118.70 115.12 1agg s GLU 35 Ca 0.63 -1.83 -0.07 0.00 0.02 0.00 0.00 54.97 53.72 1agg s GLU 35 Cb -0.17 -0.42 -0.01 0.00 0.10 0.00 0.00 34.13 33.62 1agg s GLU 35 CO 0.56 -0.29 0.91 0.00 0.02 0.00 0.00 175.26 176.46 1agg s THR 37 N -2.98 0.07 0.99 0.00 -4.23 -0.86 -1.38 115.64 107.25 1agg s THR 37 Ca 0.52 -0.57 -0.11 0.00 -1.18 0.00 0.00 61.69 60.35 1agg s THR 37 Cb -0.11 -0.22 0.19 0.00 1.34 0.00 0.00 72.50 73.70 1agg s THR 37 CO 0.47 -0.31 1.09 -2.16 -0.54 0.00 0.00 174.62 173.17 1agg s PRO 38 N -0.95 0.44 -0.07 3.99 0.04 -1.26 -4.01 135.00 133.19 1agg s PRO 38 Ca -0.10 1.06 -0.30 0.00 0.04 0.00 0.00 61.00 61.70 1agg s PRO 38 Cb -0.06 -1.70 -0.03 0.00 0.04 0.00 0.00 34.50 32.75 1agg s PRO 38 CO -0.00 -2.87 1.16 1.03 0.04 0.00 0.00 177.00 176.36 1agg s ARG 39 N -4.68 4.36 -0.23 4.56 0.52 -1.26 -4.77 118.95 117.45 1agg s ARG 39 Ca 0.66 1.61 0.02 0.00 -0.52 0.00 0.00 55.73 57.51 1agg s ARG 39 Cb -0.22 -3.56 0.04 0.00 0.52 0.00 0.00 34.95 31.74 1agg s ARG 39 CO 0.60 -0.43 -0.15 -0.48 0.02 0.00 0.00 175.30 174.86 1agg s LEU 40 N 2.21 2.89 -0.50 2.53 2.34 -1.26 -5.10 118.68 121.79 1agg s LEU 40 Ca 0.54 -1.07 -0.19 0.00 0.06 0.00 0.00 54.13 53.46 1agg s LEU 40 Cb -0.23 -1.52 0.05 0.00 -0.56 0.00 0.00 46.19 43.93 1agg s LEU 40 CO 0.21 -0.11 0.63 -0.63 -1.06 0.00 0.00 176.35 175.39 1agg s ILE 41 N 1.18 4.87 -0.47 1.48 -1.09 -1.26 -4.99 121.20 120.92 1agg s ILE 41 Ca -0.03 -0.41 0.03 0.00 -2.23 0.00 0.00 60.65 58.01 1agg s ILE 41 Cb -0.17 -4.28 0.13 0.00 -1.58 0.00 0.00 42.46 36.56 1agg s ILE 41 CO -0.08 -0.78 0.24 -0.04 -1.23 0.00 0.00 174.94 173.05 1agg s MET 42 N 2.66 1.61 -0.18 2.79 -1.94 -1.26 -5.08 119.30 117.90 1agg s MET 42 Ca 0.16 -2.28 -0.16 0.00 -1.71 0.00 0.00 55.69 51.70 1agg s MET 42 Cb -0.18 -2.83 0.05 0.00 2.01 0.00 0.00 34.83 33.88 1agg s MET 42 CO 0.13 -1.13 0.48 -2.00 -0.01 0.00 0.00 175.02 172.50 1agg s GLU 43 N 0.09 0.55 0.00 2.03 2.12 -1.26 -5.03 118.70 117.20 1agg s GLU 43 Ca 0.17 0.69 0.00 0.00 0.36 0.00 0.00 54.97 56.19 1agg s GLU 43 Cb -0.25 0.25 0.00 0.00 0.26 0.00 0.00 34.13 34.39 1agg s GLU 43 CO -0.00 -0.08 0.00 0.41 -0.54 0.00 0.00 175.26 175.05 1agg n GLY 44 N 2.97 0.56 1.35 -1.50 0.00 -1.26 -5.04 105.19 102.27 1agg n GLY 44 Ca -0.14 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.15 0.00 -4.17 0.99 -0.00 -1.26 -4.98 117.00 106.43 1agg n LEU 45 Ca 0.00 0.00 -0.40 0.00 -0.00 0.00 0.00 56.01 55.61 1agg n LEU 45 Cb 0.43 0.25 -0.06 0.00 -0.00 0.00 0.00 43.42 44.04 1agg n LEU 45 CO 0.00 -0.34 0.28 -0.55 -0.00 0.00 0.00 177.39 176.78 1agg s SER 46 N -0.66 5.97 -0.21 1.96 0.15 -1.26 -5.04 113.70 114.60 1agg s SER 46 Ca 0.00 -3.12 -0.12 0.00 0.70 0.00 0.00 55.95 53.41 1agg s SER 46 Cb 0.00 -1.98 0.07 0.00 -1.71 0.00 0.00 66.02 62.40 1agg s SER 46 CO 0.00 -0.36 0.52 0.12 1.20 0.00 0.00 173.24 174.73 1agg s PHE 47 N -0.47 -0.78 -2.30 3.44 5.36 -1.26 -5.07 117.98 116.90 1agg s PHE 47 Ca 0.21 1.62 0.30 0.00 -0.96 0.00 0.00 56.93 58.10 1agg s PHE 47 Cb -0.14 0.41 1.40 0.00 -0.34 0.00 0.00 43.02 44.35 1agg s PHE 47 CO -0.07 -0.41 1.94 0.00 -1.46 0.00 0.00 175.22 175.21