#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 6.42 0.00 1.62 2.15 -1.26 -4.83 116.67 120.77 1agg s ASP 2 Ca 0.00 -1.99 0.00 0.00 0.43 0.00 0.00 52.55 50.99 1agg s ASP 2 Cb 0.00 -2.26 0.00 0.00 -0.30 0.00 0.00 42.92 40.36 1agg s ASP 2 CO 0.00 -0.88 0.00 -0.46 -0.17 0.00 0.00 175.17 173.66 1agg n ASN 3 N 5.36 0.00 -4.09 -0.34 6.94 -1.26 -5.19 115.26 116.68 1agg n ASN 3 Ca 0.01 0.00 -0.13 0.00 -0.02 0.00 0.00 54.58 54.44 1agg n ASN 3 Cb 0.44 0.00 -0.10 0.00 -2.36 0.00 0.00 39.78 37.76 1agg n ASN 3 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1agg s ILE 5 N -4.07 4.75 -0.83 0.00 -1.09 -0.95 -4.83 121.20 114.19 1agg s ILE 5 Ca 0.39 -2.59 0.00 0.00 -2.23 0.00 0.00 60.65 56.22 1agg s ILE 5 Cb 0.06 -4.00 0.02 0.00 -1.58 0.00 0.00 42.46 36.96 1agg s ILE 5 CO 0.14 -0.95 0.61 0.00 -1.23 0.00 0.00 174.94 173.51 1agg n ALA 6 N 3.88 2.54 -2.53 9.38 0.00 -1.26 -0.61 120.51 131.90 1agg n ALA 6 Ca 0.09 -0.04 -0.25 0.00 0.00 0.00 0.00 53.44 53.24 1agg n ALA 6 Cb 0.43 -1.00 -0.10 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 -0.88 1.89 -0.21 0.00 8.01 -1.25 -4.34 118.70 121.92 1agg s GLU 7 Ca 0.01 -1.83 -0.05 0.00 0.01 0.00 0.00 54.97 53.11 1agg s GLU 7 Cb 0.01 -1.80 -0.02 0.00 -4.31 0.00 0.00 34.13 28.01 1agg s GLU 7 CO 0.00 0.18 0.01 -0.51 0.01 0.00 0.00 175.26 174.95 1agg s ASP 8 N -3.62 4.79 -1.38 -0.19 -0.00 -1.01 -4.29 116.67 110.97 1agg s ASP 8 Ca 0.33 -0.24 -0.09 0.00 -0.00 0.00 0.00 52.55 52.55 1agg s ASP 8 Cb -0.00 -1.83 0.02 0.00 -0.00 0.00 0.00 42.92 41.11 1agg s ASP 8 CO 0.17 0.03 1.13 -1.22 -0.00 0.00 0.00 175.17 175.28 1agg n TYR 9 N 4.49 -2.71 -3.32 4.23 4.01 -0.65 -4.46 117.16 118.75 1agg n TYR 9 Ca -0.17 0.99 -0.34 0.00 -0.16 0.00 0.00 57.90 58.22 1agg n TYR 9 Cb 0.51 -4.84 -0.06 0.00 -0.31 0.00 0.00 39.34 34.65 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 -3.42 2.38 -0.07 2.72 0.00 -1.26 -4.50 107.32 103.17 1agg s GLY 10 Ca 0.54 -0.13 -0.30 0.00 0.00 0.00 0.00 44.72 44.84 1agg s GLY 10 CO 0.75 0.09 1.30 0.54 0.00 0.00 0.00 173.10 175.79 1agg s LYS 11 N -2.46 4.29 0.24 2.90 1.02 -1.26 -0.96 119.74 123.51 1agg s LYS 11 Ca 0.45 1.78 0.03 0.00 0.02 0.00 0.00 55.97 58.25 1agg s LYS 11 Cb -0.13 -3.65 -0.01 0.00 -0.52 0.00 0.00 37.83 33.52 1agg s LYS 11 CO 0.20 -0.58 0.26 0.00 -0.92 0.00 0.00 175.35 174.31 1agg s THR 13 N -2.85 0.10 -0.44 0.00 -4.23 -1.18 -2.61 115.64 104.43 1agg s THR 13 Ca 0.25 -0.84 -0.26 0.00 -1.18 0.00 0.00 61.69 59.66 1agg s THR 13 Cb 0.01 -0.88 0.02 0.00 1.34 0.00 0.00 72.50 72.99 1agg s THR 13 CO 0.18 -0.46 0.94 0.26 -0.54 0.00 0.00 174.62 175.00 1agg s TRP 14 N -2.47 2.95 0.00 3.99 0.51 -1.26 -3.66 118.94 119.00 1agg s TRP 14 Ca -0.06 0.51 0.00 0.00 -2.12 0.00 0.00 56.10 54.44 1agg s TRP 14 Cb -0.01 -3.93 0.00 0.00 -0.81 0.00 0.00 33.47 28.71 1agg s TRP 14 CO -0.03 -1.05 0.00 0.41 -0.51 0.00 0.00 176.95 175.77 1agg n GLY 15 N 4.78 0.15 0.00 0.98 0.00 -1.26 -5.06 105.19 104.78 1agg n GLY 15 Ca 0.07 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.97 -0.79 3.73 -0.02 0.00 -1.24 -5.13 105.19 100.77 1agg n GLY 16 Ca 0.00 -0.31 -0.41 0.00 0.00 0.00 0.00 46.02 45.30 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 4.37 0.50 2.61 2.01 -1.26 -4.93 115.64 114.94 1agg s THR 17 Ca 0.00 1.94 0.07 0.00 0.31 0.00 0.00 61.69 64.01 1agg s THR 17 Cb 0.00 -4.24 0.02 0.00 0.01 0.00 0.00 72.50 68.29 1agg s THR 17 CO 0.00 0.29 0.41 -0.54 -0.69 0.00 0.00 174.62 174.09 1agg s LYS 18 N 0.05 2.33 0.33 4.92 -0.14 -1.26 -3.13 119.74 122.83 1agg s LYS 18 Ca 0.48 -1.85 -0.27 0.00 -1.36 0.00 0.00 55.97 52.98 1agg s LYS 18 Cb -0.25 -2.21 -0.09 0.00 -1.68 0.00 0.00 37.83 33.60 1agg s LYS 18 CO 0.31 -0.49 1.02 0.00 -0.76 0.00 0.00 175.35 175.43 1agg n ARG 21 N -5.11 1.84 -3.12 0.00 0.63 -1.26 -4.77 116.66 104.86 1agg n ARG 21 Ca 0.04 -1.72 -0.14 0.00 -0.92 0.00 0.00 57.85 55.12 1agg n ARG 21 Cb 0.21 -1.67 0.06 0.00 0.45 0.00 0.00 32.46 31.52 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 0.03 -0.99 3.26 5.14 0.00 -1.22 -5.07 105.19 106.35 1agg n GLY 22 Ca 0.33 0.51 -0.26 0.00 0.00 0.00 0.00 46.02 46.60 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 -4.30 1.40 0.71 1.61 1.81 -1.10 -5.06 118.95 114.01 1agg s ARG 23 Ca 0.41 -0.98 -0.11 0.00 -1.72 0.00 0.00 55.73 53.33 1agg s ARG 23 Cb -0.05 -1.54 0.02 0.00 -0.45 0.00 0.00 34.95 32.92 1agg s ARG 23 CO 0.68 0.39 1.07 -1.25 -0.68 0.00 0.00 175.30 175.51 1agg s PRO 24 N -1.26 2.84 0.04 3.54 0.04 -1.26 -2.34 135.00 136.60 1agg s PRO 24 Ca 0.08 0.69 0.08 0.00 0.04 0.00 0.00 61.00 61.88 1agg s PRO 24 Cb -0.09 -2.00 -0.03 0.00 0.04 0.00 0.00 34.50 32.42 1agg s PRO 24 CO 0.02 -1.10 -0.21 0.00 0.04 0.00 0.00 177.00 175.74 1agg s ARG 26 N -1.20 0.25 0.84 0.00 3.52 -0.95 -4.87 118.95 116.53 1agg s ARG 26 Ca 0.08 -0.03 -0.12 0.00 -0.13 0.00 0.00 55.73 55.53 1agg s ARG 26 Cb -0.09 0.11 0.09 0.00 -1.56 0.00 0.00 34.95 33.50 1agg s ARG 26 CO 0.02 -0.05 1.11 0.00 -0.81 0.00 0.00 175.30 175.57 1agg n SER 28 N -3.55 -0.86 -0.08 0.00 2.88 -1.26 -4.71 113.62 106.05 1agg n SER 28 Ca 0.07 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.52 1agg n SER 28 Cb 0.57 0.00 0.06 0.00 -0.75 0.00 0.00 64.21 64.09 1agg n SER 28 CO 0.00 0.00 0.00 0.24 -1.23 0.00 0.00 175.04 174.05 1agg h MET 29 N 0.00 0.78 -0.00 -1.46 2.86 -1.92 -3.32 114.93 111.87 1agg h MET 29 Ca 0.00 -0.36 -0.18 0.00 -2.06 0.00 0.00 59.70 57.10 1agg h MET 29 Cb 0.00 -0.01 0.01 0.00 0.06 0.00 0.00 31.60 31.66 1agg h MET 29 CO 0.00 0.98 -0.72 -0.84 1.06 0.00 0.00 176.91 177.39 1agg h ILE 30 N 0.66 1.39 0.00 -1.22 3.07 -1.96 -3.49 117.51 115.96 1agg h ILE 30 Ca 0.07 -2.12 0.00 0.00 1.55 0.00 0.00 64.86 64.36 1agg h ILE 30 Cb 0.84 2.54 0.00 0.00 -0.27 0.00 0.00 36.82 39.93 1agg h ILE 30 CO 0.07 0.63 0.00 0.61 -1.05 0.00 0.00 178.15 178.41 1agg n GLY 31 N 1.07 4.00 3.95 0.16 0.00 -1.25 -5.12 105.19 108.00 1agg n GLY 31 Ca -0.11 -0.79 -0.19 0.00 0.00 0.00 0.00 46.02 44.93 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 3.79 -0.33 2.61 -4.23 -1.26 -4.78 115.64 111.44 1agg s THR 32 Ca 0.00 -1.10 -0.04 0.00 -1.18 0.00 0.00 61.69 59.36 1agg s THR 32 Cb 0.00 -3.30 0.01 0.00 1.34 0.00 0.00 72.50 70.54 1agg s THR 32 CO 0.00 -0.14 0.36 0.59 -0.54 0.00 0.00 174.62 174.89 1agg n ASN 33 N -1.59 -5.26 -4.77 3.99 4.13 -1.26 -4.66 115.26 105.85 1agg n ASN 33 Ca 0.00 0.12 -0.29 0.00 1.68 0.00 0.00 54.58 56.09 1agg n ASN 33 Cb 0.59 -3.42 0.13 0.00 -1.54 0.00 0.00 39.78 35.54 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 -5.14 1.91 0.17 0.00 2.02 -1.13 -1.73 118.70 114.81 1agg s GLU 35 Ca 0.63 -2.16 -0.27 0.00 0.02 0.00 0.00 54.97 53.19 1agg s GLU 35 Cb -0.16 -0.62 -0.08 0.00 0.10 0.00 0.00 34.13 33.37 1agg s GLU 35 CO 0.55 -0.46 0.83 0.00 0.02 0.00 0.00 175.26 176.20 1agg s THR 37 N -0.99 3.55 0.32 0.00 -4.23 -1.01 -1.63 115.64 111.65 1agg s THR 37 Ca 0.38 -0.45 -0.19 0.00 -1.18 0.00 0.00 61.69 60.26 1agg s THR 37 Cb -0.24 -2.59 -0.09 0.00 1.34 0.00 0.00 72.50 70.92 1agg s THR 37 CO 0.28 0.44 0.80 -2.16 -0.54 0.00 0.00 174.62 173.43 1agg s PRO 38 N 1.12 4.17 -0.09 3.99 0.04 -1.26 -4.16 135.00 138.82 1agg s PRO 38 Ca 0.02 0.88 -0.03 0.00 0.04 0.00 0.00 61.00 61.91 1agg s PRO 38 Cb -0.15 -2.54 -0.01 0.00 0.04 0.00 0.00 34.50 31.85 1agg s PRO 38 CO -0.00 0.20 -0.06 0.00 0.04 0.00 0.00 177.00 177.18 1agg h ARG 39 N 2.59 0.00 0.00 4.56 3.08 -1.98 -3.48 114.38 119.15 1agg h ARG 39 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.57 1agg h ARG 39 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.23 1agg h ARG 39 CO 0.64 0.00 0.00 -0.11 -1.07 0.00 0.00 179.97 179.43 1agg n LEU 40 N -4.07 0.00 -3.68 3.04 7.94 -1.26 -5.13 117.00 113.84 1agg n LEU 40 Ca -0.02 0.00 -0.10 0.00 -1.11 0.00 0.00 56.01 54.78 1agg n LEU 40 Cb 0.08 0.00 -0.09 0.00 0.53 0.00 0.00 43.42 43.94 1agg n LEU 40 CO 0.03 0.00 0.19 -0.51 -1.11 0.00 0.00 177.39 176.00 1agg s ILE 41 N 0.00 -0.01 -0.42 1.96 2.07 -1.26 -5.11 121.20 118.43 1agg s ILE 41 Ca 0.00 0.04 0.03 0.00 -1.41 0.00 0.00 60.65 59.31 1agg s ILE 41 Cb 0.00 -0.77 0.16 0.00 0.13 0.00 0.00 42.46 41.98 1agg s ILE 41 CO 0.00 0.02 0.32 -0.32 -1.91 0.00 0.00 174.94 173.05 1agg s MET 42 N 1.20 0.93 0.23 3.50 -2.45 -1.26 -5.08 119.30 116.37 1agg s MET 42 Ca -0.07 -2.04 0.00 0.00 -1.25 0.00 0.00 55.69 52.33 1agg s MET 42 Cb -0.06 -1.51 0.00 0.00 1.25 0.00 0.00 34.83 34.50 1agg s MET 42 CO -0.12 -1.35 0.00 -1.91 1.05 0.00 0.00 175.02 172.69 1agg n GLU 43 N 3.02 -5.71 -2.38 4.11 2.13 -1.26 -3.16 120.64 117.38 1agg n GLU 43 Ca 0.26 4.04 -0.05 0.00 0.66 0.00 0.00 57.16 62.07 1agg n GLU 43 Cb 0.45 -4.35 0.01 0.00 0.27 0.00 0.00 31.44 27.81 1agg n GLU 43 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1agg n GLY 44 N 1.85 -1.41 3.44 8.31 0.00 -1.26 -2.41 105.19 113.71 1agg n GLY 44 Ca 0.00 0.74 -0.44 0.00 0.00 0.00 0.00 46.02 46.32 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 -1.96 5.01 -0.93 0.99 2.96 -1.26 -3.85 118.68 119.64 1agg s LEU 45 Ca 0.15 -0.95 -0.02 0.00 -0.22 0.00 0.00 54.13 53.08 1agg s LEU 45 Cb -0.04 -2.43 0.23 0.00 0.50 0.00 0.00 46.19 44.44 1agg s LEU 45 CO 0.51 -0.90 0.84 -1.54 -1.32 0.00 0.00 176.35 173.93 1agg n SER 46 N 6.17 4.39 -0.03 3.68 3.41 -1.26 -4.95 113.62 125.03 1agg n SER 46 Ca -0.07 -3.13 -0.02 0.00 -0.26 0.00 0.00 58.87 55.40 1agg n SER 46 Cb 0.45 -1.09 -0.01 0.00 -0.26 0.00 0.00 64.21 63.30 1agg n SER 46 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1agg h PHE 47 N 6.03 0.00 -0.02 7.33 3.57 -1.96 -3.47 116.94 128.42 1agg h PHE 47 Ca 0.17 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.67 1agg h PHE 47 Cb 0.81 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.55 1agg h PHE 47 CO 0.72 0.00 0.00 0.00 -2.23 0.00 0.00 178.31 176.80