#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 1.67 -0.17 1.62 -4.77 -1.26 -5.06 116.67 108.71 1agg s ASP 2 Ca 0.00 -0.16 0.16 0.00 -3.30 0.00 0.00 52.55 49.25 1agg s ASP 2 Cb 0.00 -0.57 0.78 0.00 -1.09 0.00 0.00 42.92 42.04 1agg s ASP 2 CO 0.00 -0.15 1.70 0.59 0.70 0.00 0.00 175.17 178.01 1agg n ASN 3 N 4.89 5.27 -4.17 2.11 3.02 -1.26 -4.95 115.26 120.18 1agg n ASN 3 Ca -0.12 -2.68 -0.11 0.00 -0.03 0.00 0.00 54.58 51.64 1agg n ASN 3 Cb 0.50 -0.63 -0.09 0.00 -0.61 0.00 0.00 39.78 38.94 1agg n ASN 3 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1agg s ILE 5 N -4.13 4.05 -1.36 0.00 1.01 -0.87 -4.82 121.20 115.08 1agg s ILE 5 Ca 0.35 -2.22 0.08 0.00 0.00 0.00 0.00 60.65 58.87 1agg s ILE 5 Cb 0.06 -3.66 0.14 0.00 0.01 0.00 0.00 42.46 39.01 1agg s ILE 5 CO 0.10 -0.81 1.16 0.00 0.00 0.00 0.00 174.94 175.39 1agg n ALA 6 N 4.38 1.54 -0.13 9.38 0.00 -1.26 -0.20 120.51 134.23 1agg n ALA 6 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1agg n ALA 6 Cb 0.41 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.72 1agg n ALA 6 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1agg n GLU 7 N -1.32 0.00 -3.02 0.00 0.00 -1.26 -4.83 120.64 110.21 1agg n GLU 7 Ca 0.04 0.00 0.05 0.00 0.00 0.00 0.00 57.16 57.24 1agg n GLU 7 Cb 0.07 -0.13 0.00 0.00 0.00 0.00 0.00 31.44 31.38 1agg n GLU 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1agg s ASP 8 N -1.24 -0.22 -1.47 -1.84 1.01 -1.26 -4.86 116.67 106.79 1agg s ASP 8 Ca 0.00 -0.01 -0.00 0.00 0.71 0.00 0.00 52.55 53.24 1agg s ASP 8 Cb 0.00 0.88 0.00 0.00 1.01 0.00 0.00 42.92 44.81 1agg s ASP 8 CO 0.00 -0.04 0.22 -1.22 0.21 0.00 0.00 175.17 174.34 1agg n TYR 9 N 4.63 -1.46 -0.41 4.23 4.01 -1.26 -4.99 117.16 121.90 1agg n TYR 9 Ca 0.09 0.67 -0.29 0.00 -0.16 0.00 0.00 57.90 58.21 1agg n TYR 9 Cb 0.60 -3.28 0.28 0.00 -0.31 0.00 0.00 39.34 36.62 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 -4.37 1.48 -0.07 2.72 0.00 -1.26 -4.63 107.32 101.20 1agg s GLY 10 Ca 0.01 -0.37 -0.16 0.00 0.00 0.00 0.00 44.72 44.20 1agg s GLY 10 CO 0.94 0.47 0.41 1.25 0.00 0.00 0.00 173.10 176.18 1agg s LYS 11 N -4.61 4.11 0.35 2.90 2.20 -1.26 -1.35 119.74 122.08 1agg s LYS 11 Ca 0.69 0.37 0.05 0.00 -0.36 0.00 0.00 55.97 56.72 1agg s LYS 11 Cb -0.22 -3.32 -0.03 0.00 -1.51 0.00 0.00 37.83 32.75 1agg s LYS 11 CO 0.63 0.44 0.22 0.00 -0.36 0.00 0.00 175.35 176.28 1agg s THR 13 N -3.41 0.08 -0.65 0.00 -4.23 -1.21 -3.47 115.64 102.76 1agg s THR 13 Ca 0.34 -0.68 -0.25 0.00 -1.18 0.00 0.00 61.69 59.93 1agg s THR 13 Cb 0.03 -0.45 0.05 0.00 1.34 0.00 0.00 72.50 73.47 1agg s THR 13 CO 0.22 -0.37 1.07 0.26 -0.54 0.00 0.00 174.62 175.26 1agg s TRP 14 N -1.39 2.58 0.00 3.99 0.51 -1.26 -3.44 118.94 119.93 1agg s TRP 14 Ca -0.15 -0.19 0.00 0.00 -2.12 0.00 0.00 56.10 53.65 1agg s TRP 14 Cb -0.07 -4.36 0.00 0.00 -0.81 0.00 0.00 33.47 28.23 1agg s TRP 14 CO 0.02 -1.70 0.00 0.41 -0.51 0.00 0.00 176.95 175.17 1agg n GLY 15 N 5.27 0.72 0.00 0.98 0.00 -1.26 -5.10 105.19 105.79 1agg n GLY 15 Ca 0.01 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.25 1.05 3.75 -0.02 0.00 -1.22 -5.13 105.19 103.37 1agg n GLY 16 Ca 0.00 -0.28 -0.40 0.00 0.00 0.00 0.00 46.02 45.34 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 -1.07 4.19 0.51 2.61 2.01 -1.26 -4.93 115.64 117.70 1agg s THR 17 Ca 0.00 1.99 0.07 0.00 0.31 0.00 0.00 61.69 64.07 1agg s THR 17 Cb 0.00 -4.28 0.03 0.00 0.01 0.00 0.00 72.50 68.26 1agg s THR 17 CO 0.00 0.48 0.49 -0.54 -0.69 0.00 0.00 174.62 174.36 1agg s LYS 18 N -1.02 2.36 0.43 4.92 3.01 -1.26 -3.29 119.74 124.89 1agg s LYS 18 Ca 0.40 -1.77 -0.21 0.00 -1.01 0.00 0.00 55.97 53.38 1agg s LYS 18 Cb -0.25 -2.32 -0.11 0.00 -1.01 0.00 0.00 37.83 34.14 1agg s LYS 18 CO 0.30 -0.54 0.95 0.00 0.51 0.00 0.00 175.35 176.57 1agg n ARG 21 N -5.34 -0.14 -1.92 0.00 5.12 -1.26 -1.82 116.66 111.30 1agg n ARG 21 Ca 0.14 -0.06 -0.03 0.00 -1.93 0.00 0.00 57.85 55.97 1agg n ARG 21 Cb 0.60 0.11 0.01 0.00 -1.16 0.00 0.00 32.46 32.02 1agg n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1agg n GLY 22 N -0.13 0.20 3.25 -0.13 0.00 -1.26 -5.12 105.19 102.01 1agg n GLY 22 Ca 0.00 -0.06 -0.25 0.00 0.00 0.00 0.00 46.02 45.71 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 -3.26 1.32 0.68 1.61 3.00 -0.76 -4.99 118.95 116.55 1agg s ARG 23 Ca 0.09 -0.96 -0.05 0.00 0.00 0.00 0.00 55.73 54.81 1agg s ARG 23 Cb -0.01 -1.45 0.07 0.00 0.00 0.00 0.00 34.95 33.56 1agg s ARG 23 CO 0.18 0.36 0.97 -1.25 0.00 0.00 0.00 175.30 175.57 1agg s PRO 24 N -1.28 2.16 0.04 3.54 0.04 -1.26 -2.55 135.00 135.68 1agg s PRO 24 Ca 0.07 -0.47 0.03 0.00 0.04 0.00 0.00 61.00 60.67 1agg s PRO 24 Cb -0.09 -2.24 -0.02 0.00 0.04 0.00 0.00 34.50 32.19 1agg s PRO 24 CO 0.02 -1.19 -0.09 0.00 0.04 0.00 0.00 177.00 175.78 1agg s ARG 26 N -1.32 0.23 0.93 0.00 1.70 -0.09 -4.94 118.95 115.45 1agg s ARG 26 Ca -0.06 0.62 -0.13 0.00 -0.47 0.00 0.00 55.73 55.70 1agg s ARG 26 Cb -0.08 -0.08 0.15 0.00 -0.57 0.00 0.00 34.95 34.36 1agg s ARG 26 CO 0.01 -0.19 1.14 0.00 -1.08 0.00 0.00 175.30 175.18 1agg n SER 28 N -3.82 -1.37 -0.14 0.00 2.88 -1.26 -4.65 113.62 105.27 1agg n SER 28 Ca 0.07 -0.34 -0.11 0.00 -1.33 0.00 0.00 58.87 57.16 1agg n SER 28 Cb 0.59 -0.02 -0.01 0.00 -0.75 0.00 0.00 64.21 64.02 1agg n SER 28 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1agg h MET 29 N 0.00 0.76 0.18 -1.46 -0.00 -1.93 -3.25 114.93 109.25 1agg h MET 29 Ca -0.01 -0.27 -0.01 0.00 -0.00 0.00 0.00 59.70 59.41 1agg h MET 29 Cb 0.02 -0.05 0.00 0.00 -0.00 0.00 0.00 31.60 31.57 1agg h MET 29 CO 0.01 0.87 -0.09 0.82 -0.00 0.00 0.00 176.91 178.52 1agg h ILE 30 N 0.59 0.60 0.00 -0.10 2.04 -1.99 -3.50 117.51 115.15 1agg h ILE 30 Ca 0.11 -1.07 0.00 0.00 1.00 0.00 0.00 64.86 64.90 1agg h ILE 30 Cb 0.56 1.03 0.00 0.00 -0.74 0.00 0.00 36.82 37.67 1agg h ILE 30 CO 0.03 0.16 0.00 0.61 0.00 0.00 0.00 178.15 178.96 1agg n GLY 31 N 0.79 3.19 3.88 5.37 0.00 -1.23 -5.14 105.19 112.05 1agg n GLY 31 Ca -0.07 -0.45 -0.29 0.00 0.00 0.00 0.00 46.02 45.21 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 4.79 -0.46 2.61 -4.23 -1.26 -4.43 115.64 112.66 1agg s THR 32 Ca 0.00 0.58 -0.02 0.00 -1.18 0.00 0.00 61.69 61.07 1agg s THR 32 Cb 0.00 -3.83 -0.02 0.00 1.34 0.00 0.00 72.50 69.99 1agg s THR 32 CO 0.00 -0.86 0.41 -3.20 -0.54 0.00 0.00 174.62 170.43 1agg n ASN 33 N -2.16 -4.67 -4.75 3.99 5.15 -1.26 -4.50 115.26 107.06 1agg n ASN 33 Ca 0.03 -0.20 -0.34 0.00 -0.60 0.00 0.00 54.58 53.47 1agg n ASN 33 Cb 0.54 -3.06 0.06 0.00 -0.53 0.00 0.00 39.78 36.80 1agg n ASN 33 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1agg s GLU 35 N -3.81 1.99 0.44 0.00 2.02 -1.06 -1.71 118.70 116.58 1agg s GLU 35 Ca 0.72 -2.18 -0.01 0.00 0.02 0.00 0.00 54.97 53.53 1agg s GLU 35 Cb -0.26 -1.45 -0.02 0.00 0.10 0.00 0.00 34.13 32.50 1agg s GLU 35 CO 0.40 -0.18 0.67 0.00 0.02 0.00 0.00 175.26 176.17 1agg s THR 37 N -2.55 1.19 -0.67 0.00 -1.32 -1.13 -4.12 115.64 107.04 1agg s THR 37 Ca 0.46 -0.50 -0.27 0.00 -1.21 0.00 0.00 61.69 60.17 1agg s THR 37 Cb -0.10 -1.09 0.03 0.00 -1.51 0.00 0.00 72.50 69.83 1agg s THR 37 CO 0.39 0.37 1.22 -2.16 -2.21 0.00 0.00 174.62 172.23 1agg s PRO 38 N 0.74 3.31 -0.86 7.08 0.04 -1.26 -4.43 135.00 139.61 1agg s PRO 38 Ca -0.13 -0.09 -0.12 0.00 0.04 0.00 0.00 61.00 60.70 1agg s PRO 38 Cb -0.16 -4.12 0.23 0.00 0.04 0.00 0.00 34.50 30.49 1agg s PRO 38 CO 0.03 -1.94 0.80 0.50 0.04 0.00 0.00 177.00 176.42 1agg s ARG 39 N 5.33 3.63 -0.65 4.56 3.52 -1.26 -4.76 118.95 129.31 1agg s ARG 39 Ca 0.37 -2.61 0.05 0.00 -0.13 0.00 0.00 55.73 53.41 1agg s ARG 39 Cb -0.08 -4.39 0.16 0.00 -1.56 0.00 0.00 34.95 29.07 1agg s ARG 39 CO 0.19 -1.27 0.42 -0.48 -0.81 0.00 0.00 175.30 173.34 1agg s LEU 40 N -0.11 4.67 -0.64 -0.88 2.34 -1.26 -4.78 118.68 118.03 1agg s LEU 40 Ca 0.20 -3.60 -0.02 0.00 0.06 0.00 0.00 54.13 50.77 1agg s LEU 40 Cb -0.11 -1.64 0.00 0.00 -0.56 0.00 0.00 46.19 43.89 1agg s LEU 40 CO -0.09 -0.13 0.45 2.30 -1.06 0.00 0.00 176.35 177.83 1agg n ILE 41 N 2.32 -2.35 -3.75 1.48 -5.35 -1.26 -4.99 119.36 105.45 1agg n ILE 41 Ca 0.15 -0.04 -0.29 0.00 -0.27 0.00 0.00 62.75 62.30 1agg n ILE 41 Cb 0.34 -2.09 -0.13 0.00 -1.74 0.00 0.00 39.64 36.02 1agg n ILE 41 CO 0.00 0.00 0.00 -0.04 -1.76 0.00 0.00 176.55 174.75 1agg s MET 42 N -4.40 1.45 -0.16 6.28 -1.94 -1.26 -5.08 119.30 114.19 1agg s MET 42 Ca 0.03 -2.18 -0.30 0.00 -1.71 0.00 0.00 55.69 51.52 1agg s MET 42 Cb -0.01 -2.53 0.12 0.00 2.01 0.00 0.00 34.83 34.42 1agg s MET 42 CO 0.67 -1.17 0.97 -1.83 -0.01 0.00 0.00 175.02 173.65 1agg s GLU 43 N 0.14 0.63 0.00 2.03 -1.05 -1.26 -4.89 118.70 114.30 1agg s GLU 43 Ca 0.18 0.19 0.00 0.00 -0.15 0.00 0.00 54.97 55.19 1agg s GLU 43 Cb -0.23 0.30 0.00 0.00 -0.44 0.00 0.00 34.13 33.76 1agg s GLU 43 CO -0.01 -0.19 0.20 0.41 0.95 0.00 0.00 175.26 176.61 1agg n GLY 44 N 0.85 -0.05 2.77 -3.83 0.00 -1.26 -4.94 105.19 98.74 1agg n GLY 44 Ca -0.11 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.64 -0.01 0.02 0.99 2.96 -1.26 -5.07 118.68 114.67 1agg s LEU 45 Ca 0.00 0.05 0.00 0.00 -0.22 0.00 0.00 54.13 53.96 1agg s LEU 45 Cb 0.00 0.21 0.00 0.00 0.50 0.00 0.00 46.19 46.90 1agg s LEU 45 CO 0.00 -0.28 0.00 -1.20 -1.32 0.00 0.00 176.35 173.55 1agg n SER 46 N 5.32 -6.68 -3.69 3.68 7.64 -1.26 -5.11 113.62 113.52 1agg n SER 46 Ca -0.05 1.13 -0.10 0.00 1.01 0.00 0.00 58.87 60.86 1agg n SER 46 Cb 0.50 -3.61 -0.10 0.00 -1.01 0.00 0.00 64.21 59.99 1agg n SER 46 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 1agg s PHE 47 N -0.37 -0.66 -2.74 1.43 5.36 -1.26 -5.12 117.98 114.62 1agg s PHE 47 Ca 0.00 1.39 0.26 0.00 -0.96 0.00 0.00 56.93 57.62 1agg s PHE 47 Cb 0.00 0.31 0.64 0.00 -0.34 0.00 0.00 43.02 43.63 1agg s PHE 47 CO 0.00 -0.37 1.51 0.00 -1.46 0.00 0.00 175.22 174.90