#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1agg n ASP 2 N 0.00 0.00 0.00 4.31 9.92 -1.26 -5.06 116.55 124.46 1agg n ASP 2 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1agg n ASP 2 Cb 0.00 0.15 0.00 0.00 -0.64 0.00 0.00 41.12 40.63 1agg n ASP 2 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1agg n ASN 3 N -2.01 0.00 -4.64 -2.24 3.02 -1.26 -5.05 115.26 103.08 1agg n ASN 3 Ca 0.00 0.14 -0.28 0.00 -0.03 0.00 0.00 54.58 54.41 1agg n ASN 3 Cb 0.00 -0.31 -0.10 0.00 -0.61 0.00 0.00 39.78 38.75 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 -2.70 4.31 -1.48 0.00 1.01 -1.02 -4.67 121.20 116.64 1agg s ILE 5 Ca 0.34 -2.29 0.01 0.00 0.00 0.00 0.00 60.65 58.71 1agg s ILE 5 Cb 0.09 -3.79 0.03 0.00 0.01 0.00 0.00 42.46 38.80 1agg s ILE 5 CO 0.18 -0.86 0.79 0.00 0.00 0.00 0.00 174.94 175.05 1agg n ALA 6 N 4.27 2.53 -2.83 9.38 0.00 -1.26 -0.96 120.51 131.64 1agg n ALA 6 Ca 0.01 -0.08 -0.14 0.00 0.00 0.00 0.00 53.44 53.24 1agg n ALA 6 Cb 0.41 -1.00 -0.12 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 -1.51 0.58 0.23 0.00 8.01 -1.26 -4.92 118.70 119.82 1agg s GLU 7 Ca 0.02 -0.78 -0.30 0.00 0.01 0.00 0.00 54.97 53.93 1agg s GLU 7 Cb 0.02 -0.39 -0.09 0.00 -4.31 0.00 0.00 34.13 29.36 1agg s GLU 7 CO 0.01 0.08 1.19 0.34 0.01 0.00 0.00 175.26 176.89 1agg s ASP 8 N -1.57 7.08 -1.21 -0.19 2.15 -1.26 -2.75 116.67 118.94 1agg s ASP 8 Ca -0.08 2.31 0.00 0.00 0.43 0.00 0.00 52.55 55.20 1agg s ASP 8 Cb -0.10 -2.62 0.00 0.00 -0.30 0.00 0.00 42.92 39.91 1agg s ASP 8 CO 0.01 -0.34 0.00 -1.22 -0.17 0.00 0.00 175.17 173.45 1agg n TYR 9 N 1.99 -0.97 -2.70 -5.34 4.01 -0.70 -4.88 117.16 108.57 1agg n TYR 9 Ca 0.03 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.39 1agg n TYR 9 Cb 0.44 -2.70 -0.06 0.00 -0.31 0.00 0.00 39.34 36.72 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 -2.05 2.84 0.02 2.72 0.00 -1.11 -4.50 107.32 105.24 1agg s GLY 10 Ca 0.00 0.61 -0.30 0.00 0.00 0.00 0.00 44.72 45.02 1agg s GLY 10 CO 0.00 1.07 1.10 1.25 0.00 0.00 0.00 173.10 176.52 1agg s LYS 11 N -2.02 4.48 0.36 2.90 2.20 -1.26 -1.47 119.74 124.93 1agg s LYS 11 Ca 0.51 1.61 0.04 0.00 -0.36 0.00 0.00 55.97 57.76 1agg s LYS 11 Cb -0.21 -3.41 -0.03 0.00 -1.51 0.00 0.00 37.83 32.66 1agg s LYS 11 CO 0.27 -0.19 0.15 0.00 -0.36 0.00 0.00 175.35 175.22 1agg s THR 13 N -3.36 0.11 -0.74 0.00 -4.23 -1.19 -2.08 115.64 104.16 1agg s THR 13 Ca 0.30 -0.95 -0.25 0.00 -1.18 0.00 0.00 61.69 59.62 1agg s THR 13 Cb 0.04 -0.67 0.05 0.00 1.34 0.00 0.00 72.50 73.26 1agg s THR 13 CO 0.17 -0.52 1.16 0.26 -0.54 0.00 0.00 174.62 175.15 1agg s TRP 14 N -2.08 2.50 0.00 3.99 0.51 -1.26 -3.13 118.94 119.47 1agg s TRP 14 Ca -0.09 -0.38 0.00 0.00 -2.12 0.00 0.00 56.10 53.51 1agg s TRP 14 Cb -0.04 -4.48 0.00 0.00 -0.81 0.00 0.00 33.47 28.13 1agg s TRP 14 CO -0.02 -1.87 0.00 0.41 -0.51 0.00 0.00 176.95 174.96 1agg n GLY 15 N 5.48 0.86 0.00 0.98 0.00 -1.26 -5.12 105.19 106.13 1agg n GLY 15 Ca 0.04 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.24 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 1.38 3.79 -0.02 0.00 -1.18 -5.14 105.19 104.01 1agg n GLY 16 Ca 0.00 -0.43 -0.38 0.00 0.00 0.00 0.00 46.02 45.21 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 -1.50 4.37 0.53 2.61 2.01 -1.26 -4.90 115.64 117.50 1agg s THR 17 Ca 0.00 1.64 0.01 0.00 0.31 0.00 0.00 61.69 63.65 1agg s THR 17 Cb 0.00 -4.05 0.00 0.00 0.01 0.00 0.00 72.50 68.46 1agg s THR 17 CO 0.00 0.36 0.04 -0.54 -0.69 0.00 0.00 174.62 173.79 1agg s LYS 18 N -1.57 2.23 0.28 4.92 1.02 -1.26 -3.16 119.74 122.20 1agg s LYS 18 Ca 0.41 -2.41 -0.29 0.00 0.02 0.00 0.00 55.97 53.71 1agg s LYS 18 Cb -0.21 -1.57 -0.09 0.00 -0.52 0.00 0.00 37.83 35.44 1agg s LYS 18 CO 0.25 -0.43 1.01 0.00 -0.92 0.00 0.00 175.35 175.26 1agg n ARG 21 N -5.44 1.89 -2.43 0.00 1.74 -1.26 -4.84 116.66 106.31 1agg n ARG 21 Ca 0.07 -1.85 -0.08 0.00 -0.77 0.00 0.00 57.85 55.21 1agg n ARG 21 Cb 0.35 -1.73 0.04 0.00 -1.02 0.00 0.00 32.46 30.10 1agg n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1agg n GLY 22 N -0.12 -0.17 3.08 -0.13 0.00 -0.98 -5.08 105.19 101.81 1agg n GLY 22 Ca 0.36 0.16 -0.31 0.00 0.00 0.00 0.00 46.02 46.23 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 -3.76 2.62 1.41 1.61 1.81 -1.01 -5.04 118.95 116.59 1agg s ARG 23 Ca 0.23 -0.69 -0.22 0.00 -1.72 0.00 0.00 55.73 53.33 1agg s ARG 23 Cb -0.03 -2.26 0.36 0.00 -0.45 0.00 0.00 34.95 32.56 1agg s ARG 23 CO 0.39 -0.16 0.86 -2.30 -0.68 0.00 0.00 175.30 173.41 1agg n PRO 24 N 4.50 -4.35 -4.25 3.54 -0.02 -1.26 -2.40 135.00 130.76 1agg n PRO 24 Ca -0.19 -1.28 -0.22 0.00 -2.02 0.00 0.00 63.50 59.79 1agg n PRO 24 Cb 0.50 -1.94 -0.12 0.00 -0.02 0.00 0.00 33.50 31.92 1agg n PRO 24 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1agg s ARG 26 N -1.87 2.04 0.85 0.00 6.06 -0.42 -4.94 118.95 120.68 1agg s ARG 26 Ca 0.04 -0.48 -0.12 0.00 -2.50 0.00 0.00 55.73 52.67 1agg s ARG 26 Cb -0.10 -1.85 0.10 0.00 0.06 0.00 0.00 34.95 33.17 1agg s ARG 26 CO 0.04 -0.16 1.13 0.00 -2.50 0.00 0.00 175.30 173.81 1agg s SER 28 N -4.11 -1.59 0.34 0.00 0.01 -1.24 -4.70 113.70 102.41 1agg s SER 28 Ca 0.62 0.82 0.06 0.00 1.31 0.00 0.00 55.95 58.77 1agg s SER 28 Cb -0.14 -1.14 0.63 0.00 0.21 0.00 0.00 66.02 65.58 1agg s SER 28 CO 0.53 -5.69 1.86 0.24 0.41 0.00 0.00 173.24 170.59 1agg h MET 29 N -3.64 0.39 0.23 12.44 2.86 -1.91 -3.22 114.93 122.09 1agg h MET 29 Ca -0.41 -0.10 -0.01 0.00 -2.06 0.00 0.00 59.70 57.12 1agg h MET 29 Cb 1.35 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.96 1agg h MET 29 CO 0.25 0.51 -0.11 0.82 1.06 0.00 0.00 176.91 179.44 1agg h ILE 30 N 0.37 0.23 0.00 -1.22 1.08 -1.96 -3.50 117.51 112.51 1agg h ILE 30 Ca 0.07 -0.88 0.00 0.00 -0.39 0.00 0.00 64.86 63.66 1agg h ILE 30 Cb 0.43 0.40 0.00 0.00 -3.07 0.00 0.00 36.82 34.58 1agg h ILE 30 CO 0.02 0.07 0.00 0.61 -0.69 0.00 0.00 178.15 178.16 1agg n GLY 31 N 0.87 2.54 3.87 5.37 0.00 -1.22 -5.13 105.19 111.50 1agg n GLY 31 Ca -0.05 -0.34 -0.31 0.00 0.00 0.00 0.00 46.02 45.32 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 4.72 -0.62 2.61 -4.23 -1.26 -4.47 115.64 112.39 1agg s THR 32 Ca 0.00 0.83 -0.01 0.00 -1.18 0.00 0.00 61.69 61.33 1agg s THR 32 Cb 0.00 -3.85 -0.02 0.00 1.34 0.00 0.00 72.50 69.97 1agg s THR 32 CO 0.00 -1.06 0.57 0.59 -0.54 0.00 0.00 174.62 174.18 1agg n ASN 33 N -2.56 -6.04 -4.72 3.99 3.02 -1.26 -4.65 115.26 103.04 1agg n ASN 33 Ca 0.05 -0.20 -0.30 0.00 -0.03 0.00 0.00 54.58 54.11 1agg n ASN 33 Cb 0.54 -4.14 0.14 0.00 -0.61 0.00 0.00 39.78 35.71 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 -4.97 1.49 0.43 0.00 2.02 -1.09 -1.51 118.70 115.08 1agg s GLU 35 Ca 0.64 -1.82 -0.03 0.00 0.02 0.00 0.00 54.97 53.78 1agg s GLU 35 Cb -0.18 -0.37 -0.03 0.00 0.10 0.00 0.00 34.13 33.65 1agg s GLU 35 CO 0.57 -0.29 0.69 0.00 0.02 0.00 0.00 175.26 176.25 1agg s THR 37 N -2.58 4.96 0.42 0.00 -4.23 -1.10 -1.72 115.64 111.38 1agg s THR 37 Ca 0.45 -0.36 -0.25 0.00 -1.18 0.00 0.00 61.69 60.36 1agg s THR 37 Cb -0.10 -3.30 -0.08 0.00 1.34 0.00 0.00 72.50 70.36 1agg s THR 37 CO 0.41 0.32 1.17 -2.16 -0.54 0.00 0.00 174.62 173.81 1agg s PRO 38 N -1.88 3.98 0.01 3.99 0.04 -1.26 -4.59 135.00 135.29 1agg s PRO 38 Ca 0.25 1.82 -0.30 0.00 0.04 0.00 0.00 61.00 62.81 1agg s PRO 38 Cb -0.12 -2.60 -0.03 0.00 0.04 0.00 0.00 34.50 31.78 1agg s PRO 38 CO 0.16 -0.38 1.04 -0.98 0.04 0.00 0.00 177.00 176.88 1agg s ARG 39 N -2.41 4.52 0.03 4.56 1.70 -1.26 -5.04 118.95 121.05 1agg s ARG 39 Ca 0.59 1.50 -0.01 0.00 -0.47 0.00 0.00 55.73 57.34 1agg s ARG 39 Cb -0.30 -3.44 -0.03 0.00 -0.57 0.00 0.00 34.95 30.61 1agg s ARG 39 CO 0.37 -0.12 -0.02 -0.48 -1.08 0.00 0.00 175.30 173.97 1agg s LEU 40 N 1.11 2.33 -0.05 -1.89 0.05 -1.26 -5.15 118.68 113.82 1agg s LEU 40 Ca 0.53 -0.72 -0.27 0.00 0.05 0.00 0.00 54.13 53.72 1agg s LEU 40 Cb -0.23 0.17 -0.03 0.00 -2.05 0.00 0.00 46.19 44.05 1agg s LEU 40 CO 0.28 -0.44 0.88 -0.51 -0.55 0.00 0.00 176.35 176.00 1agg s ILE 41 N -2.58 4.92 -0.09 1.48 1.10 -1.26 -5.06 121.20 119.71 1agg s ILE 41 Ca -0.05 1.81 -0.12 0.00 -0.51 0.00 0.00 60.65 61.78 1agg s ILE 41 Cb -0.02 -4.21 -0.05 0.00 0.15 0.00 0.00 42.46 38.34 1agg s ILE 41 CO -0.05 0.16 0.28 -0.32 -2.11 0.00 0.00 174.94 172.90 1agg s MET 42 N 1.16 3.83 0.06 3.50 -2.45 -1.26 -5.08 119.30 119.06 1agg s MET 42 Ca 0.45 0.13 -0.30 0.00 -1.25 0.00 0.00 55.69 54.72 1agg s MET 42 Cb -0.19 -3.26 -0.05 0.00 1.25 0.00 0.00 34.83 32.58 1agg s MET 42 CO 0.22 0.61 1.10 -2.00 1.05 0.00 0.00 175.02 176.00 1agg s GLU 43 N -0.66 4.51 -0.28 4.11 2.12 -1.26 -5.01 118.70 122.23 1agg s GLU 43 Ca 0.18 1.63 0.00 0.00 0.36 0.00 0.00 54.97 57.15 1agg s GLU 43 Cb -0.14 -3.38 0.15 0.00 0.26 0.00 0.00 34.13 31.03 1agg s GLU 43 CO 0.07 -0.12 0.41 0.20 -0.54 0.00 0.00 175.26 175.28 1agg s GLY 44 N 0.83 -0.55 0.00 -1.50 0.00 -1.26 -5.00 107.32 99.84 1agg s GLY 44 Ca 0.55 0.53 0.00 0.00 0.00 0.00 0.00 44.72 45.80 1agg s GLY 44 CO 0.30 2.95 0.00 1.04 0.00 0.00 0.00 173.10 177.39 1agg n LEU 45 N 5.36 -1.88 -4.64 0.66 4.77 -1.26 -4.98 117.00 115.03 1agg n LEU 45 Ca -0.01 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.55 1agg n LEU 45 Cb 0.50 0.69 -0.02 0.00 -2.33 0.00 0.00 43.42 42.25 1agg n LEU 45 CO 0.01 0.00 1.30 -0.94 -1.33 0.00 0.00 177.39 176.43 1agg s SER 46 N -0.81 6.59 -0.03 -1.43 1.04 -1.26 -4.91 113.70 112.89 1agg s SER 46 Ca 0.00 1.79 -0.05 0.00 0.48 0.00 0.00 55.95 58.17 1agg s SER 46 Cb 0.00 -2.53 -0.02 0.00 0.10 0.00 0.00 66.02 63.57 1agg s SER 46 CO 0.00 -1.05 -0.09 0.49 0.98 0.00 0.00 173.24 173.56 1agg n PHE 47 N 7.65 0.00 1.46 5.02 3.72 -1.26 -5.23 117.46 128.83 1agg n PHE 47 Ca 0.17 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.71 1agg n PHE 47 Cb 0.44 -0.14 0.49 0.00 -0.94 0.00 0.00 39.48 39.34 1agg n PHE 47 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71