#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1agg h ASP 2 N 0.00 -0.07 -0.80 1.62 3.32 -2.04 -3.48 116.42 114.96 1agg h ASP 2 Ca 0.00 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 56.71 1agg h ASP 2 Cb 0.00 0.02 -0.14 0.00 0.22 0.00 0.00 39.33 39.43 1agg h ASP 2 CO 0.00 0.30 -0.31 0.59 -1.72 0.00 0.00 179.24 178.09 1agg n ASN 3 N -4.19 -5.57 -1.26 6.45 4.13 -1.26 -4.75 115.26 108.81 1agg n ASN 3 Ca -0.01 0.42 0.15 0.00 1.68 0.00 0.00 54.58 56.81 1agg n ASN 3 Cb 0.03 -4.56 -0.06 0.00 -1.54 0.00 0.00 39.78 33.65 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 -3.53 3.97 -0.96 0.00 -1.09 -0.96 -4.83 121.20 113.80 1agg s ILE 5 Ca 0.00 -2.56 0.00 0.00 -2.23 0.00 0.00 60.65 55.87 1agg s ILE 5 Cb 0.00 -3.59 0.02 0.00 -1.58 0.00 0.00 42.46 37.32 1agg s ILE 5 CO 0.00 -0.85 0.55 0.00 -1.23 0.00 0.00 174.94 173.41 1agg n ALA 6 N 3.96 2.54 -2.51 9.38 0.00 -1.26 -0.55 120.51 132.07 1agg n ALA 6 Ca 0.04 -0.06 -0.25 0.00 0.00 0.00 0.00 53.44 53.18 1agg n ALA 6 Cb 0.40 -1.00 -0.10 0.00 0.00 0.00 0.00 19.45 18.74 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 -1.03 1.75 -0.25 0.00 2.02 -1.26 -4.76 118.70 115.17 1agg s GLU 7 Ca 0.02 -1.86 -0.07 0.00 0.02 0.00 0.00 54.97 53.08 1agg s GLU 7 Cb 0.01 -1.72 -0.02 0.00 0.10 0.00 0.00 34.13 32.50 1agg s GLU 7 CO 0.00 0.22 0.06 0.16 0.02 0.00 0.00 175.26 175.72 1agg s ASP 8 N -3.56 5.02 -1.24 -0.19 1.47 -1.26 -4.23 116.67 112.69 1agg s ASP 8 Ca 0.31 -0.26 -0.06 0.00 1.18 0.00 0.00 52.55 53.71 1agg s ASP 8 Cb -0.01 -1.90 0.01 0.00 -0.34 0.00 0.00 42.92 40.68 1agg s ASP 8 CO 0.16 -0.04 1.07 -1.22 0.68 0.00 0.00 175.17 175.81 1agg n TYR 9 N 4.91 -2.55 -3.47 2.11 4.01 -0.95 -4.91 117.16 116.31 1agg n TYR 9 Ca -0.16 0.94 -0.33 0.00 -0.16 0.00 0.00 57.90 58.18 1agg n TYR 9 Cb 0.51 -4.81 -0.05 0.00 -0.31 0.00 0.00 39.34 34.67 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 -3.54 2.32 -0.06 2.72 0.00 -1.26 -4.51 107.32 102.99 1agg s GLY 10 Ca 0.41 -0.30 -0.30 0.00 0.00 0.00 0.00 44.72 44.53 1agg s GLY 10 CO 0.68 -0.13 1.46 -1.59 0.00 0.00 0.00 173.10 173.53 1agg s LYS 11 N -2.45 4.23 0.00 2.90 -2.85 -1.26 -0.95 119.74 119.36 1agg s LYS 11 Ca 0.42 1.98 0.00 0.00 -1.00 0.00 0.00 55.97 57.37 1agg s LYS 11 Cb -0.13 -3.76 0.00 0.00 -2.06 0.00 0.00 37.83 31.88 1agg s LYS 11 CO 0.21 -0.70 0.00 0.00 0.10 0.00 0.00 175.35 174.95 1agg s THR 13 N -2.17 0.04 -0.51 0.00 -4.23 -1.19 -3.24 115.64 104.34 1agg s THR 13 Ca 0.00 -0.30 -0.22 0.00 -1.18 0.00 0.00 61.69 60.00 1agg s THR 13 Cb 0.00 -0.62 0.05 0.00 1.34 0.00 0.00 72.50 73.27 1agg s THR 13 CO 0.00 -0.16 0.76 0.26 -0.54 0.00 0.00 174.62 174.94 1agg s TRP 14 N -0.86 2.95 0.00 3.99 0.51 -1.26 -3.59 118.94 120.67 1agg s TRP 14 Ca -0.09 -0.23 0.00 0.00 -2.12 0.00 0.00 56.10 53.66 1agg s TRP 14 Cb -0.04 -3.74 0.00 0.00 -0.81 0.00 0.00 33.47 28.88 1agg s TRP 14 CO 0.04 -1.14 0.00 0.41 -0.51 0.00 0.00 176.95 175.75 1agg n GLY 15 N 5.12 -0.12 0.00 0.98 0.00 -1.26 -5.07 105.19 104.85 1agg n GLY 15 Ca -0.02 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.67 1.11 3.79 -0.02 0.00 -1.24 -5.13 105.19 103.02 1agg n GLY 16 Ca 0.00 -0.09 -0.38 0.00 0.00 0.00 0.00 46.02 45.55 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 4.91 0.48 2.61 2.01 -1.26 -4.94 115.64 119.45 1agg s THR 17 Ca 0.00 1.13 0.07 0.00 0.31 0.00 0.00 61.69 63.20 1agg s THR 17 Cb 0.00 -3.87 0.01 0.00 0.01 0.00 0.00 72.50 68.66 1agg s THR 17 CO 0.00 0.48 0.46 -0.54 -0.69 0.00 0.00 174.62 174.33 1agg s LYS 18 N -0.53 2.44 0.25 4.92 3.01 -1.26 -3.14 119.74 125.42 1agg s LYS 18 Ca 0.28 -1.67 -0.30 0.00 -1.01 0.00 0.00 55.97 53.28 1agg s LYS 18 Cb -0.18 -2.36 -0.09 0.00 -1.01 0.00 0.00 37.83 34.18 1agg s LYS 18 CO 0.16 -0.42 0.98 0.00 0.51 0.00 0.00 175.35 176.58 1agg n ARG 21 N -5.42 1.91 -2.11 0.00 5.12 -1.22 -4.79 116.66 110.16 1agg n ARG 21 Ca -0.01 -1.94 -0.00 0.00 -1.93 0.00 0.00 57.85 53.97 1agg n ARG 21 Cb 0.35 -1.76 0.00 0.00 -1.16 0.00 0.00 32.46 29.89 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 -0.23 -0.64 3.01 -0.13 0.00 -1.20 -5.01 105.19 100.98 1agg n GLY 22 Ca 0.38 0.06 -0.18 0.00 0.00 0.00 0.00 46.02 46.28 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 -3.02 0.66 0.53 1.61 0.52 -1.11 -5.07 118.95 113.08 1agg s ARG 23 Ca 0.01 -0.33 -0.17 0.00 -0.52 0.00 0.00 55.73 54.71 1agg s ARG 23 Cb -0.00 -0.63 -0.07 0.00 0.52 0.00 0.00 34.95 34.77 1agg s ARG 23 CO 0.29 0.17 1.02 -1.25 0.02 0.00 0.00 175.30 175.55 1agg s PRO 24 N -0.29 3.70 0.11 3.54 0.04 -1.26 -2.52 135.00 138.30 1agg s PRO 24 Ca 0.02 1.13 0.06 0.00 0.04 0.00 0.00 61.00 62.26 1agg s PRO 24 Cb -0.04 -2.09 -0.04 0.00 0.04 0.00 0.00 34.50 32.37 1agg s PRO 24 CO -0.00 -0.49 -0.05 0.00 0.04 0.00 0.00 177.00 176.50 1agg n ARG 26 N 0.57 3.77 -4.31 0.00 1.85 0.06 -4.85 116.66 113.75 1agg n ARG 26 Ca -0.12 0.00 -0.16 0.00 -1.00 0.00 0.00 57.85 56.57 1agg n ARG 26 Cb 0.52 0.00 -0.10 0.00 -1.05 0.00 0.00 32.46 31.83 1agg n ARG 26 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1agg s SER 28 N -3.31 -0.52 0.31 0.00 0.01 -1.23 -4.58 113.70 104.37 1agg s SER 28 Ca 0.38 1.05 0.03 0.00 1.31 0.00 0.00 55.95 58.71 1agg s SER 28 Cb 0.07 -1.54 0.50 0.00 0.21 0.00 0.00 66.02 65.26 1agg s SER 28 CO 0.14 -5.06 1.80 0.24 0.41 0.00 0.00 173.24 170.77 1agg h MET 29 N -3.21 0.54 -0.03 12.44 2.86 -1.91 -3.14 114.93 122.47 1agg h MET 29 Ca -0.49 -0.15 -0.07 0.00 -2.06 0.00 0.00 59.70 56.92 1agg h MET 29 Cb 1.34 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.94 1agg h MET 29 CO 0.35 0.64 -0.27 0.97 1.06 0.00 0.00 176.91 179.66 1agg h ILE 30 N 0.50 1.48 0.00 -1.22 -0.00 -1.97 -3.49 117.51 112.81 1agg h ILE 30 Ca 0.10 -1.80 0.00 0.00 -0.00 0.00 0.00 64.86 63.16 1agg h ILE 30 Cb 0.47 2.53 0.00 0.00 -0.00 0.00 0.00 36.82 39.82 1agg h ILE 30 CO 0.03 0.50 0.00 0.61 -0.00 0.00 0.00 178.15 179.29 1agg n GLY 31 N 0.84 3.63 3.88 8.18 0.00 -1.19 -5.12 105.19 115.41 1agg n GLY 31 Ca -0.09 -0.63 -0.30 0.00 0.00 0.00 0.00 46.02 45.00 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 4.61 -0.56 2.61 -4.23 -1.26 -4.55 115.64 112.25 1agg s THR 32 Ca 0.00 0.66 -0.01 0.00 -1.18 0.00 0.00 61.69 61.16 1agg s THR 32 Cb 0.00 -3.82 -0.01 0.00 1.34 0.00 0.00 72.50 70.01 1agg s THR 32 CO 0.00 -1.01 0.52 0.59 -0.54 0.00 0.00 174.62 174.18 1agg n ASN 33 N -2.66 -5.86 -4.75 3.99 4.13 -1.26 -4.53 115.26 104.33 1agg n ASN 33 Ca 0.05 -0.15 -0.30 0.00 1.68 0.00 0.00 54.58 55.86 1agg n ASN 33 Cb 0.55 -3.95 0.12 0.00 -1.54 0.00 0.00 39.78 34.95 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 -5.00 1.47 0.57 0.00 2.02 -1.11 -1.50 118.70 115.15 1agg s GLU 35 Ca 0.62 -1.81 -0.08 0.00 0.02 0.00 0.00 54.97 53.73 1agg s GLU 35 Cb -0.17 0.30 -0.02 0.00 0.10 0.00 0.00 34.13 34.34 1agg s GLU 35 CO 0.56 -0.52 0.92 0.00 0.02 0.00 0.00 175.26 176.24 1agg s THR 37 N -3.00 0.33 0.10 0.00 -1.32 -1.12 -2.24 115.64 108.39 1agg s THR 37 Ca 0.52 -0.15 -0.30 0.00 -1.21 0.00 0.00 61.69 60.56 1agg s THR 37 Cb -0.11 -0.30 -0.06 0.00 -1.51 0.00 0.00 72.50 70.52 1agg s THR 37 CO 0.49 0.11 1.04 -2.16 -2.21 0.00 0.00 174.62 171.88 1agg s PRO 38 N 0.11 4.60 0.00 7.08 0.04 -1.26 -4.47 135.00 141.10 1agg s PRO 38 Ca -0.01 1.56 0.23 0.00 0.04 0.00 0.00 61.00 62.82 1agg s PRO 38 Cb -0.04 -3.37 0.30 0.00 0.04 0.00 0.00 34.50 31.44 1agg s PRO 38 CO -0.00 0.05 1.30 2.89 0.04 0.00 0.00 177.00 181.28 1agg n ARG 39 N 3.09 2.32 0.00 4.56 -4.01 -1.26 -4.87 116.66 116.50 1agg n ARG 39 Ca 0.04 -2.07 0.00 0.00 -1.04 0.00 0.00 57.85 54.79 1agg n ARG 39 Cb 0.48 -1.47 0.00 0.00 -3.04 0.00 0.00 32.46 28.44 1agg n ARG 39 CO 0.00 0.00 0.00 -0.11 -3.04 0.00 0.00 177.63 174.48 1agg n LEU 40 N 1.36 0.00 -4.57 2.89 7.94 -1.26 -5.08 117.00 118.28 1agg n LEU 40 Ca 0.16 0.00 -0.38 0.00 -1.11 0.00 0.00 56.01 54.69 1agg n LEU 40 Cb 0.58 0.02 -0.11 0.00 0.53 0.00 0.00 43.42 44.44 1agg n LEU 40 CO 0.15 -0.24 -0.19 -0.63 -1.11 0.00 0.00 177.39 175.37 1agg s ILE 41 N -0.47 5.12 0.19 1.96 1.09 -1.26 -5.07 121.20 122.75 1agg s ILE 41 Ca 0.00 0.10 -0.30 0.00 -1.10 0.00 0.00 60.65 59.35 1agg s ILE 41 Cb 0.00 -3.42 -0.08 0.00 -1.06 0.00 0.00 42.46 37.89 1agg s ILE 41 CO 0.00 0.28 1.19 0.00 -0.10 0.00 0.00 174.94 176.31 1agg s MET 42 N 1.64 4.50 -1.30 2.79 0.23 -1.26 -3.69 119.30 122.21 1agg s MET 42 Ca 0.07 1.87 -0.01 0.00 -1.03 0.00 0.00 55.69 56.59 1agg s MET 42 Cb -0.16 -3.23 -0.00 0.00 -1.53 0.00 0.00 34.83 29.91 1agg s MET 42 CO 0.09 -0.06 0.67 0.39 -2.03 0.00 0.00 175.02 174.07 1agg n GLU 43 N 2.37 -4.43 0.00 3.16 1.02 -1.26 -4.88 120.64 116.63 1agg n GLU 43 Ca 0.04 0.59 0.00 0.00 -0.02 0.00 0.00 57.16 57.77 1agg n GLU 43 Cb 0.45 -5.05 0.00 0.00 -0.02 0.00 0.00 31.44 26.82 1agg n GLU 43 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1agg n GLY 44 N -1.62 0.76 3.81 0.62 0.00 -1.24 -5.11 105.19 102.40 1agg n GLY 44 Ca -0.29 0.13 -0.35 0.00 0.00 0.00 0.00 46.02 45.51 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 0.00 4.25 -0.00 0.99 1.98 -1.25 -4.66 118.68 119.99 1agg s LEU 45 Ca 0.00 1.55 -0.25 0.00 -2.89 0.00 0.00 54.13 52.54 1agg s LEU 45 Cb 0.00 -3.89 -0.19 0.00 0.66 0.00 0.00 46.19 42.77 1agg s LEU 45 CO 0.00 -0.08 1.30 0.77 -1.89 0.00 0.00 176.35 176.45 1agg h SER 46 N 3.00 -0.08 -3.44 3.68 4.64 -2.00 -3.36 113.55 115.98 1agg h SER 46 Ca -0.48 -0.35 -0.77 0.00 -0.47 0.00 0.00 61.79 59.73 1agg h SER 46 Cb 1.19 0.02 -0.25 0.00 -0.31 0.00 0.00 62.40 63.05 1agg h SER 46 CO 0.65 0.31 -0.10 -0.36 -0.87 0.00 0.00 176.83 176.46 1agg s PHE 47 N -4.56 3.48 -2.95 4.77 0.08 -1.26 -5.22 117.98 112.33 1agg s PHE 47 Ca -0.15 -1.66 0.24 0.00 0.12 0.00 0.00 56.93 55.48 1agg s PHE 47 Cb 0.02 -3.77 0.28 0.00 -0.57 0.00 0.00 43.02 38.98 1agg s PHE 47 CO 0.63 -1.00 1.31 0.00 -0.10 0.00 0.00 175.22 176.06