#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 1.96 -0.38 0.00 0.00 -1.26 -4.83 121.76 117.25 2bds s ALA 2 Ca 0.00 0.90 -0.01 0.00 0.00 0.00 0.00 51.96 52.85 2bds s ALA 2 Cb 0.00 -3.50 0.24 0.00 0.00 0.00 0.00 23.12 19.86 2bds s ALA 2 CO 0.00 -2.12 2.07 -0.35 0.00 0.00 0.00 175.76 175.36 2bds n PRO 3 N -3.00 1.98 -2.55 0.00 -0.04 -1.25 -3.92 135.00 126.22 2bds n PRO 3 Ca 0.14 -1.88 -0.42 0.00 -0.04 0.00 0.00 63.50 61.29 2bds n PRO 3 Cb 0.50 -1.75 -0.03 0.00 -0.04 0.00 0.00 33.50 32.18 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 1.75 2.99 0.32 0.00 0.08 -1.26 0.29 117.98 122.15 2bds s PHE 5 Ca 0.54 0.94 0.03 0.00 0.12 0.00 0.00 56.93 58.55 2bds s PHE 5 Cb -0.23 -3.27 0.03 0.00 -0.57 0.00 0.00 43.02 38.97 2bds s PHE 5 CO 0.23 -1.66 0.22 0.00 -0.10 0.00 0.00 175.22 173.91 2bds s SER 7 N -2.87 7.07 0.00 0.00 0.01 -1.26 -2.55 113.70 114.11 2bds s SER 7 Ca 0.17 1.66 0.00 0.00 1.31 0.00 0.00 55.95 59.09 2bds s SER 7 Cb -0.01 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.67 2bds s SER 7 CO 0.11 -0.61 0.00 0.61 0.41 0.00 0.00 173.24 173.75 2bds n GLY 8 N 3.36 2.76 3.14 3.44 0.00 -1.26 -4.97 105.19 111.66 2bds n GLY 8 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.10 2.34 0.00 1.61 1.02 -1.06 -5.10 119.74 118.45 2bds s LYS 9 Ca 0.00 -1.32 0.00 0.00 0.02 0.00 0.00 55.97 54.67 2bds s LYS 9 Cb 0.00 -3.10 0.00 0.00 -0.52 0.00 0.00 37.83 34.21 2bds s LYS 9 CO 0.00 -0.62 0.00 -0.35 -0.92 0.00 0.00 175.35 173.46 2bds n PRO 10 N 4.55 -0.35 0.00 -1.68 -0.05 -1.26 -2.11 135.00 134.10 2bds n PRO 10 Ca -0.13 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.32 2bds n PRO 10 Cb 0.43 0.00 0.00 0.00 -0.05 0.00 0.00 33.50 33.88 2bds n PRO 10 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 2bds n GLY 11 N 3.10 1.44 3.39 0.55 0.00 -1.26 -4.72 105.19 107.69 2bds n GLY 11 Ca 0.00 -0.57 -0.14 0.00 0.00 0.00 0.00 46.02 45.31 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 1.03 0.03 1.61 1.70 -1.26 -4.53 118.95 117.53 2bds s ARG 12 Ca 0.00 -0.26 -0.02 0.00 -0.47 0.00 0.00 55.73 54.98 2bds s ARG 12 Cb 0.00 0.47 -0.02 0.00 -0.57 0.00 0.00 34.95 34.83 2bds s ARG 12 CO 0.00 -0.37 0.01 0.20 -1.08 0.00 0.00 175.30 174.05 2bds s GLY 13 N -2.01 0.27 -0.09 3.88 0.00 0.84 -4.51 107.32 105.70 2bds s GLY 13 Ca -0.05 -0.72 -0.30 0.00 0.00 0.00 0.00 44.72 43.66 2bds s GLY 13 CO -0.02 -0.82 1.05 0.99 0.00 0.00 0.00 173.10 174.30 2bds s ASP 14 N -1.98 7.21 -0.50 1.64 1.11 -0.79 -1.89 116.67 121.47 2bds s ASP 14 Ca -0.08 1.61 -0.25 0.00 0.18 0.00 0.00 52.55 54.01 2bds s ASP 14 Cb -0.03 -2.56 0.03 0.00 1.07 0.00 0.00 42.92 41.43 2bds s ASP 14 CO -0.04 -0.46 0.92 -0.22 1.18 0.00 0.00 175.17 176.54 2bds s LEU 15 N 1.98 4.07 0.64 1.23 2.96 -1.26 0.46 118.68 128.75 2bds s LEU 15 Ca 0.50 -0.11 0.03 0.00 -0.22 0.00 0.00 54.13 54.33 2bds s LEU 15 Cb -0.20 -3.01 0.10 0.00 0.50 0.00 0.00 46.19 43.58 2bds s LEU 15 CO 0.20 -1.12 0.88 0.26 -1.32 0.00 0.00 176.35 175.25 2bds s TRP 16 N 3.80 1.72 0.00 5.38 0.52 0.78 -4.71 118.94 126.42 2bds s TRP 16 Ca 0.33 -0.41 0.00 0.00 0.02 0.00 0.00 56.10 56.05 2bds s TRP 16 Cb -0.11 -2.68 0.00 0.00 -1.15 0.00 0.00 33.47 29.53 2bds s TRP 16 CO 0.23 -1.37 0.00 -0.89 0.02 0.00 0.00 176.95 174.94 2bds n ILE 17 N -2.53 0.00 -1.05 2.03 5.41 -1.26 -2.07 119.36 119.89 2bds n ILE 17 Ca 0.14 0.00 -0.44 0.00 1.00 0.00 0.00 62.75 63.45 2bds n ILE 17 Cb 0.61 -0.99 -0.07 0.00 -0.71 0.00 0.00 39.64 38.48 2bds n ILE 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2bds n LEU 18 N 0.00 3.60 -4.26 1.39 -0.00 -0.14 -2.77 117.00 114.82 2bds n LEU 18 Ca 0.00 -2.67 -0.35 0.00 -0.00 0.00 0.00 56.01 52.98 2bds n LEU 18 Cb 0.00 -1.02 -0.14 0.00 -0.00 0.00 0.00 43.42 42.27 2bds n LEU 18 CO 0.00 -0.62 -0.36 -0.13 -0.00 0.00 0.00 177.39 176.28 2bds s ARG 19 N 5.32 2.99 0.62 1.47 0.52 -1.26 -4.95 118.95 123.65 2bds s ARG 19 Ca 0.59 -0.89 0.29 0.00 -0.52 0.00 0.00 55.73 55.20 2bds s ARG 19 Cb 0.15 -3.12 1.54 0.00 0.52 0.00 0.00 34.95 34.03 2bds s ARG 19 CO 0.15 -0.39 1.92 0.78 0.02 0.00 0.00 175.30 177.78 2bds h GLY 20 N 8.10 0.00 -3.35 -3.53 0.00 -1.98 -3.42 103.07 98.89 2bds h GLY 20 Ca -0.33 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 46.93 2bds h GLY 20 CO 0.59 0.00 -0.16 -0.51 0.00 0.00 0.00 176.54 176.46 2bds s THR 21 N -4.44 0.08 0.34 4.70 -4.23 -1.26 -5.12 115.64 105.70 2bds s THR 21 Ca -0.04 -0.68 -0.13 0.00 -1.18 0.00 0.00 61.69 59.66 2bds s THR 21 Cb 0.13 -1.11 -0.08 0.00 1.34 0.00 0.00 72.50 72.78 2bds s THR 21 CO 0.45 -0.37 0.73 0.00 -0.54 0.00 0.00 174.62 174.89 2bds n PRO 23 N -0.62 1.46 0.00 0.00 -0.01 -1.26 -4.75 135.00 129.82 2bds n PRO 23 Ca 0.03 0.53 0.01 0.00 -0.01 0.00 0.00 63.50 64.06 2bds n PRO 23 Cb 0.53 -2.26 0.04 0.00 -0.01 0.00 0.00 33.50 31.80 2bds n PRO 23 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 2bds n GLY 24 N 4.14 -0.29 0.01 -1.23 0.00 -1.26 -3.31 105.19 103.26 2bds n GLY 24 Ca 0.25 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.26 2bds n GLY 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bds n GLY 25 N -1.11 -1.00 0.12 -0.02 0.00 -1.26 -4.73 105.19 97.19 2bds n GLY 25 Ca 0.01 -0.01 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 2bds n GLY 25 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2bds h TYR 26 N 0.07 0.65 0.00 1.61 -1.99 -1.95 -3.47 116.97 111.88 2bds h TYR 26 Ca 0.00 -0.46 0.00 0.00 2.00 0.00 0.00 58.73 60.27 2bds h TYR 26 Cb 0.07 -0.03 0.00 0.00 2.00 0.00 0.00 36.73 38.76 2bds h TYR 26 CO 0.00 1.35 0.00 0.41 -0.00 0.00 0.00 178.16 179.92 2bds n GLY 27 N 1.52 0.69 3.49 3.88 0.00 -1.26 -5.14 105.19 108.37 2bds n GLY 27 Ca -0.11 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.63 2bds n GLY 27 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2bds s TYR 28 N 0.00 1.33 0.00 1.61 2.02 -1.26 -4.86 117.35 116.18 2bds s TYR 28 Ca 0.00 1.21 0.00 0.00 -0.37 0.00 0.00 57.07 57.91 2bds s TYR 28 Cb 0.00 -3.10 0.00 0.00 -0.40 0.00 0.00 41.96 38.46 2bds s TYR 28 CO 0.00 -3.89 0.00 0.25 -1.57 0.00 0.00 175.55 170.34 2bds n THR 29 N -4.94 0.00 -3.48 -0.71 -2.24 -1.20 -4.95 114.28 96.76 2bds n THR 29 Ca 0.03 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.43 2bds n THR 29 Cb 0.54 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.68 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 -1.30 6.20 0.05 3.42 1.04 -1.20 -4.99 113.70 116.92 2bds s SER 30 Ca 0.00 0.21 -0.19 0.00 0.48 0.00 0.00 55.95 56.46 2bds s SER 30 Cb 0.00 -2.17 0.04 0.00 0.10 0.00 0.00 66.02 63.99 2bds s SER 30 CO 0.00 -0.09 0.43 0.54 0.98 0.00 0.00 173.24 175.10 2bds s ASN 31 N 1.49 -0.32 -0.09 7.02 2.20 -1.26 0.35 114.94 124.34 2bds s ASN 31 Ca 0.12 0.03 -0.00 0.00 -0.94 0.00 0.00 52.86 52.07 2bds s ASN 31 Cb -0.15 0.44 -0.03 0.00 -2.00 0.00 0.00 41.25 39.51 2bds s ASN 31 CO 0.09 -0.68 -0.06 0.00 -2.94 0.00 0.00 177.10 173.51 2bds s TYR 33 N -0.56 2.83 -0.44 0.00 1.51 -1.26 -2.52 117.35 116.89 2bds s TYR 33 Ca 0.09 -0.62 0.05 0.00 -1.01 0.00 0.00 57.07 55.57 2bds s TYR 33 Cb -0.12 -1.85 0.18 0.00 -0.11 0.00 0.00 41.96 40.05 2bds s TYR 33 CO 0.02 -0.20 0.48 0.15 -1.11 0.00 0.00 175.55 174.89 2bds s LYS 34 N 0.35 0.93 0.94 -0.62 1.02 -0.87 -5.01 119.74 116.49 2bds s LYS 34 Ca -0.10 -1.61 -0.15 0.00 0.02 0.00 0.00 55.97 54.13 2bds s LYS 34 Cb -0.16 -0.87 -0.06 0.00 -0.52 0.00 0.00 37.83 36.23 2bds s LYS 34 CO 0.05 -1.35 -0.14 0.91 -0.92 0.00 0.00 175.35 173.91 2bds n TRP 35 N 3.04 -3.12 0.93 3.18 7.02 -1.26 -1.69 117.44 125.53 2bds n TRP 35 Ca 0.24 0.13 0.00 0.00 -1.02 0.00 0.00 57.50 56.85 2bds n TRP 35 Cb 0.50 -1.63 0.00 0.00 -2.42 0.00 0.00 31.31 27.76 2bds n TRP 35 CO 0.00 0.00 0.00 -0.35 -2.02 0.00 0.00 177.69 175.32 2bds n PRO 36 N 0.32 0.93 -2.23 -0.99 -0.04 -1.26 -4.98 135.00 126.75 2bds n PRO 36 Ca 0.03 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.45 2bds n PRO 36 Cb 0.54 -1.11 -0.01 0.00 -0.04 0.00 0.00 33.50 32.88 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 0.45 -0.30 -3.65 3.54 3.02 -0.68 -0.97 115.26 116.67 2bds n ASN 37 Ca 0.00 -1.48 -0.15 0.00 -0.03 0.00 0.00 54.58 52.92 2bds n ASN 37 Cb 0.42 0.58 -0.08 0.00 -0.61 0.00 0.00 39.78 40.10 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 -2.49 0.02 0.00 2.41 2.07 -0.88 -2.04 121.20 120.29 2bds s ILE 38 Ca 0.08 -0.18 0.06 0.00 -1.41 0.00 0.00 60.65 59.20 2bds s ILE 38 Cb -0.00 -0.80 -0.03 0.00 0.13 0.00 0.00 42.46 41.76 2bds s ILE 38 CO 0.05 -0.10 -0.19 0.00 -1.91 0.00 0.00 174.94 172.79 2bds s TYR 41 N -1.16 2.49 0.56 0.00 1.51 0.15 -1.89 117.35 119.01 2bds s TYR 41 Ca 0.20 -0.68 -0.12 0.00 -1.01 0.00 0.00 57.07 55.46 2bds s TYR 41 Cb -0.11 -1.78 -0.05 0.00 -0.11 0.00 0.00 41.96 39.91 2bds s TYR 41 CO 0.12 0.43 0.98 -1.25 -1.11 0.00 0.00 175.55 174.72 2bds s PRO 42 N -3.72 3.71 0.00 -1.71 0.04 -1.19 -3.21 135.00 128.91 2bds s PRO 42 Ca 0.34 0.73 0.05 0.00 0.04 0.00 0.00 61.00 62.16 2bds s PRO 42 Cb 0.09 -2.15 0.04 0.00 0.04 0.00 0.00 34.50 32.52 2bds s PRO 42 CO 0.17 -0.41 0.65 -2.39 0.04 0.00 0.00 177.00 175.06