#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bds s ALA 2 N 0.00 3.24 -0.15 0.00 0.00 -1.26 -4.83 121.76 118.77 2bds s ALA 2 Ca 0.00 1.19 -0.01 0.00 0.00 0.00 0.00 51.96 53.14 2bds s ALA 2 Cb 0.00 -3.47 0.08 0.00 0.00 0.00 0.00 23.12 19.73 2bds s ALA 2 CO 0.00 -0.78 2.07 -0.35 0.00 0.00 0.00 175.76 176.70 2bds n PRO 3 N 0.11 1.40 -2.63 0.00 -0.04 -1.26 -3.73 135.00 128.86 2bds n PRO 3 Ca 0.04 -0.75 -0.42 0.00 -0.04 0.00 0.00 63.50 62.33 2bds n PRO 3 Cb 0.44 -1.32 -0.03 0.00 -0.04 0.00 0.00 33.50 32.56 2bds n PRO 3 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2bds s PHE 5 N 2.06 2.86 0.24 0.00 0.08 -1.26 0.28 117.98 122.24 2bds s PHE 5 Ca 0.50 0.87 0.02 0.00 0.12 0.00 0.00 56.93 58.44 2bds s PHE 5 Cb -0.20 -3.36 -0.01 0.00 -0.57 0.00 0.00 43.02 38.88 2bds s PHE 5 CO 0.19 -1.86 0.06 0.00 -0.10 0.00 0.00 175.22 173.51 2bds s SER 7 N -2.42 7.03 0.00 0.00 1.04 -1.26 -2.59 113.70 115.51 2bds s SER 7 Ca 0.09 1.86 0.00 0.00 0.48 0.00 0.00 55.95 58.37 2bds s SER 7 Cb 0.00 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.56 2bds s SER 7 CO 0.06 -0.59 0.00 0.61 0.98 0.00 0.00 173.24 174.30 2bds n GLY 8 N 3.38 0.81 2.95 7.32 0.00 -1.26 -4.95 105.19 113.45 2bds n GLY 8 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 2bds n GLY 8 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bds s LYS 9 N -0.34 1.79 0.62 1.61 1.02 -1.07 -5.12 119.74 118.25 2bds s LYS 9 Ca 0.00 -0.68 -0.11 0.00 0.02 0.00 0.00 55.97 55.20 2bds s LYS 9 Cb 0.00 -2.22 0.15 0.00 -0.52 0.00 0.00 37.83 35.24 2bds s LYS 9 CO 0.00 -0.42 0.79 -0.35 -0.92 0.00 0.00 175.35 174.45 2bds n PRO 10 N 4.77 -1.03 0.00 -1.68 -0.04 -1.26 -2.43 135.00 133.33 2bds n PRO 10 Ca -0.14 -1.23 0.00 0.00 -0.04 0.00 0.00 63.50 62.10 2bds n PRO 10 Cb 0.47 -0.86 0.00 0.00 -0.04 0.00 0.00 33.50 33.07 2bds n PRO 10 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2bds n GLY 11 N -0.57 0.99 3.44 0.55 0.00 -1.26 -4.81 105.19 103.53 2bds n GLY 11 Ca 0.10 -0.87 -0.13 0.00 0.00 0.00 0.00 46.02 45.12 2bds n GLY 11 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2bds s ARG 12 N 0.00 1.20 0.00 1.61 1.70 -1.26 -4.69 118.95 117.51 2bds s ARG 12 Ca 0.00 -0.29 -0.00 0.00 -0.47 0.00 0.00 55.73 54.96 2bds s ARG 12 Cb 0.00 0.56 -0.00 0.00 -0.57 0.00 0.00 34.95 34.93 2bds s ARG 12 CO 0.00 -0.49 0.00 0.20 -1.08 0.00 0.00 175.30 173.94 2bds s GLY 13 N -2.33 0.06 -0.02 3.88 0.00 0.82 -4.79 107.32 104.94 2bds s GLY 13 Ca -0.02 -0.15 -0.30 0.00 0.00 0.00 0.00 44.72 44.25 2bds s GLY 13 CO -0.07 -0.18 1.09 0.99 0.00 0.00 0.00 173.10 174.93 2bds s ASP 14 N -0.45 7.20 -0.07 1.64 1.11 -0.81 -1.93 116.67 123.37 2bds s ASP 14 Ca -0.05 1.75 -0.24 0.00 0.18 0.00 0.00 52.55 54.19 2bds s ASP 14 Cb -0.03 -2.57 -0.03 0.00 1.07 0.00 0.00 42.92 41.36 2bds s ASP 14 CO -0.00 -0.43 0.72 -0.22 1.18 0.00 0.00 175.17 176.43 2bds s LEU 15 N 1.53 4.31 0.22 1.23 2.96 -1.26 0.51 118.68 128.17 2bds s LEU 15 Ca 0.54 1.21 0.09 0.00 -0.22 0.00 0.00 54.13 55.75 2bds s LEU 15 Cb -0.23 -3.12 -0.05 0.00 0.50 0.00 0.00 46.19 43.29 2bds s LEU 15 CO 0.25 -0.14 -0.16 0.26 -1.32 0.00 0.00 176.35 175.23 2bds s TRP 16 N 0.91 1.88 0.00 5.38 0.52 0.33 -4.66 118.94 123.30 2bds s TRP 16 Ca 0.38 -0.49 0.00 0.00 0.02 0.00 0.00 56.10 56.01 2bds s TRP 16 Cb -0.18 -0.86 0.00 0.00 -1.15 0.00 0.00 33.47 31.28 2bds s TRP 16 CO 0.18 0.45 0.00 0.44 0.02 0.00 0.00 176.95 178.04 2bds n ILE 17 N -0.36 0.00 -1.06 2.03 -5.35 -1.26 -1.18 119.36 112.18 2bds n ILE 17 Ca -0.08 0.00 -0.43 0.00 -0.27 0.00 0.00 62.75 61.97 2bds n ILE 17 Cb 0.60 -1.80 -0.07 0.00 -1.74 0.00 0.00 39.64 36.63 2bds n ILE 17 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2bds n LEU 18 N 0.00 3.36 -4.73 7.28 -0.00 0.80 -3.37 117.00 120.33 2bds n LEU 18 Ca 0.00 -2.61 -0.35 0.00 -0.00 0.00 0.00 56.01 53.05 2bds n LEU 18 Cb 0.00 -1.02 -0.08 0.00 -0.00 0.00 0.00 43.42 42.32 2bds n LEU 18 CO 0.00 -0.82 -0.22 -0.13 -0.00 0.00 0.00 177.39 176.23 2bds s ARG 19 N 5.53 3.78 0.08 1.47 0.52 -1.26 -4.90 118.95 124.17 2bds s ARG 19 Ca 0.61 -0.26 -0.27 0.00 -0.52 0.00 0.00 55.73 55.28 2bds s ARG 19 Cb 0.14 -3.22 -0.17 0.00 0.52 0.00 0.00 34.95 32.22 2bds s ARG 19 CO 0.17 0.46 1.68 0.78 0.02 0.00 0.00 175.30 178.41 2bds h GLY 20 N 6.07 -0.42 -2.99 -3.53 0.00 -1.96 -3.45 103.07 96.79 2bds h GLY 20 Ca -0.44 0.16 -0.35 0.00 0.00 0.00 0.00 47.33 46.70 2bds h GLY 20 CO 0.67 -0.15 -0.72 -0.51 0.00 0.00 0.00 176.54 175.82 2bds s THR 21 N -6.08 1.22 0.41 4.70 -4.23 -1.26 -5.07 115.64 105.33 2bds s THR 21 Ca -0.15 -1.98 -0.23 0.00 -1.18 0.00 0.00 61.69 58.15 2bds s THR 21 Cb 0.05 -1.77 -0.10 0.00 1.34 0.00 0.00 72.50 72.02 2bds s THR 21 CO 0.64 -0.67 0.98 0.00 -0.54 0.00 0.00 174.62 175.04 2bds n PRO 23 N -0.31 2.01 0.11 0.00 -0.02 -1.26 -4.86 135.00 130.67 2bds n PRO 23 Ca 0.06 0.72 0.12 0.00 -2.02 0.00 0.00 63.50 62.38 2bds n PRO 23 Cb 0.52 -2.46 0.12 0.00 -0.02 0.00 0.00 33.50 31.65 2bds n PRO 23 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 2bds h GLY 24 N 5.58 0.00 2.00 -1.23 0.00 -1.92 -3.25 103.07 104.25 2bds h GLY 24 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 2bds h GLY 24 CO 0.86 0.00 0.00 0.61 0.00 0.00 0.00 176.54 178.01 2bds n GLY 25 N 1.23 -1.24 0.00 4.60 0.00 -1.26 -3.71 105.19 104.81 2bds n GLY 25 Ca 0.02 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.14 2bds n GLY 25 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2bds n TYR 26 N -2.25 0.00 0.00 1.61 4.02 -1.23 -5.03 117.16 114.28 2bds n TYR 26 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.91 2bds n TYR 26 Cb 0.21 -0.32 0.00 0.00 -0.02 0.00 0.00 39.34 39.22 2bds n TYR 26 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2bds n GLY 27 N 1.87 0.00 3.38 2.72 0.00 -1.24 -5.15 105.19 106.77 2bds n GLY 27 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 2bds n GLY 27 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2bds n TYR 28 N 0.00 -1.37 0.00 1.61 4.01 -1.26 -4.89 117.16 115.26 2bds n TYR 28 Ca 0.00 -0.03 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 2bds n TYR 28 Cb 0.00 -1.63 0.00 0.00 -0.31 0.00 0.00 39.34 37.40 2bds n TYR 28 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 2bds n THR 29 N -4.73 0.00 -3.42 -0.72 -2.24 -1.26 -4.84 114.28 97.07 2bds n THR 29 Ca 0.02 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.38 2bds n THR 29 Cb 0.58 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.71 2bds n THR 29 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2bds s SER 30 N -1.54 6.14 0.06 3.42 1.04 -1.25 -5.01 113.70 116.55 2bds s SER 30 Ca 0.00 -0.60 -0.11 0.00 0.48 0.00 0.00 55.95 55.72 2bds s SER 30 Cb 0.00 -2.18 0.01 0.00 0.10 0.00 0.00 66.02 63.95 2bds s SER 30 CO 0.00 -0.43 0.24 0.54 0.98 0.00 0.00 173.24 174.57 2bds s ASN 31 N 1.74 -0.01 0.04 7.02 6.03 -1.26 -1.03 114.94 127.46 2bds s ASN 31 Ca 0.09 -0.37 0.05 0.00 -1.03 0.00 0.00 52.86 51.60 2bds s ASN 31 Cb -0.18 0.33 -0.03 0.00 -3.03 0.00 0.00 41.25 38.34 2bds s ASN 31 CO 0.12 -0.63 -0.11 0.00 -2.03 0.00 0.00 177.10 174.44 2bds s TYR 33 N -1.02 2.68 -0.59 0.00 1.51 -1.26 -2.01 117.35 116.65 2bds s TYR 33 Ca 0.17 -1.17 0.06 0.00 -1.01 0.00 0.00 57.07 55.13 2bds s TYR 33 Cb -0.11 -1.81 0.28 0.00 -0.11 0.00 0.00 41.96 40.21 2bds s TYR 33 CO 0.08 -0.51 0.77 1.63 -1.11 0.00 0.00 175.55 176.41 2bds n LYS 34 N 3.91 2.47 -1.01 -0.62 5.02 -0.64 -4.93 118.16 122.36 2bds n LYS 34 Ca -0.19 -4.53 -0.34 0.00 -2.02 0.00 0.00 58.31 51.23 2bds n LYS 34 Cb 0.52 -2.13 -0.01 0.00 -0.02 0.00 0.00 35.03 33.39 2bds n LYS 34 CO 0.00 0.00 0.00 1.87 -0.52 0.00 0.00 177.40 178.75 2bds n TRP 35 N 0.61 -0.84 -0.70 2.13 -0.00 -1.26 -1.04 117.44 116.34 2bds n TRP 35 Ca 0.29 0.62 -0.05 0.00 -0.00 0.00 0.00 57.50 58.36 2bds n TRP 35 Cb 0.43 -1.40 -0.07 0.00 -0.00 0.00 0.00 31.31 30.27 2bds n TRP 35 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 177.69 177.34 2bds n PRO 36 N 0.84 1.39 0.00 5.87 -0.04 -1.26 -5.01 135.00 136.79 2bds n PRO 36 Ca 0.11 -0.42 0.00 0.00 -0.04 0.00 0.00 63.50 63.15 2bds n PRO 36 Cb 0.23 -1.43 0.00 0.00 -0.04 0.00 0.00 33.50 32.25 2bds n PRO 36 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2bds n ASN 37 N 1.95 0.00 -3.64 3.54 3.02 -0.21 -0.14 115.26 119.77 2bds n ASN 37 Ca 0.18 0.00 -0.05 0.00 -0.03 0.00 0.00 54.58 54.68 2bds n ASN 37 Cb 0.66 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.76 2bds n ASN 37 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 2bds s ILE 38 N -1.54 0.00 -0.20 2.41 2.07 -0.32 -1.62 121.20 122.01 2bds s ILE 38 Ca 0.00 0.00 -0.04 0.00 -1.41 0.00 0.00 60.65 59.20 2bds s ILE 38 Cb 0.00 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.57 2bds s ILE 38 CO 0.00 0.00 -0.04 0.00 -1.91 0.00 0.00 174.94 172.99 2bds s TYR 41 N -1.18 1.60 0.09 0.00 1.51 -0.20 -1.93 117.35 117.25 2bds s TYR 41 Ca 0.26 -0.93 -0.31 0.00 -1.01 0.00 0.00 57.07 55.08 2bds s TYR 41 Cb -0.15 -1.76 -0.14 0.00 -0.11 0.00 0.00 41.96 39.79 2bds s TYR 41 CO 0.14 -0.22 1.62 -1.35 -1.11 0.00 0.00 175.55 174.63 2bds h PRO 42 N 0.95 -0.70 0.00 -1.71 0.11 -1.90 -3.34 132.00 125.41 2bds h PRO 42 Ca -0.39 0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.76 2bds h PRO 42 Cb 1.32 0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.59 2bds h PRO 42 CO 0.64 -0.47 0.00 -2.39 -0.21 0.00 0.00 178.00 175.57