#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 2.49 -0.25 0.00 0.00 -1.25 -4.84 121.76 117.92 2bds s ALA 2 Ca 0.00 0.52 0.02 0.00 0.00 0.00 0.00 51.96 52.50 2bds s ALA 2 Cb 0.00 -3.31 0.33 0.00 0.00 0.00 0.00 23.12 20.15 2bds s ALA 2 CO 0.00 -1.24 1.55 -0.35 0.00 0.00 0.00 175.76 175.72 2bds n PRO 3 N -2.41 1.68 -2.63 0.00 -0.04 -1.26 -3.70 135.00 126.65 2bds n PRO 3 Ca 0.10 -1.59 -0.42 0.00 -0.04 0.00 0.00 63.50 61.55 2bds n PRO 3 Cb 0.52 -1.62 -0.03 0.00 -0.04 0.00 0.00 33.50 32.33 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 0.90 3.12 0.56 0.00 0.08 -1.26 0.33 117.98 121.71 2bds s PHE 5 Ca 0.53 1.03 0.05 0.00 0.12 0.00 0.00 56.93 58.66 2bds s PHE 5 Cb -0.24 -3.15 0.05 0.00 -0.57 0.00 0.00 43.02 39.11 2bds s PHE 5 CO 0.29 -1.46 0.38 0.00 -0.10 0.00 0.00 175.22 174.33 2bds s SER 7 N -4.28 6.27 0.00 0.00 0.01 -1.26 -2.72 113.70 111.72 2bds s SER 7 Ca 0.29 -0.51 0.00 0.00 1.31 0.00 0.00 55.95 57.04 2bds s SER 7 Cb -0.02 -2.46 0.00 0.00 0.21 0.00 0.00 66.02 63.74 2bds s SER 7 CO 0.18 -1.42 0.00 0.61 0.41 0.00 0.00 173.24 173.02 2bds n GLY 8 N 5.22 1.21 2.70 3.44 0.00 -1.26 -5.04 105.19 111.45 2bds n GLY 8 Ca 0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.20 0.23 0.85 1.61 3.01 -1.10 -5.14 119.74 119.00 2bds s LYS 9 Ca 0.00 0.14 -0.12 0.00 -1.01 0.00 0.00 55.97 54.98 2bds s LYS 9 Cb 0.00 -1.03 0.11 0.00 -1.01 0.00 0.00 37.83 35.90 2bds s LYS 9 CO 0.00 -0.41 1.17 -1.25 0.51 0.00 0.00 175.35 175.37 2bds s PRO 10 N 2.07 1.61 0.00 -1.68 0.04 -1.26 -2.16 135.00 133.62 2bds s PRO 10 Ca 0.04 0.16 0.00 0.00 0.04 0.00 0.00 61.00 61.24 2bds s PRO 10 Cb -0.13 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.50 2bds s PRO 10 CO -0.05 -1.85 0.00 0.41 0.04 0.00 0.00 177.00 175.55 2bds n GLY 11 N -2.91 1.12 3.50 0.56 0.00 -1.26 -4.88 105.19 101.32 2bds n GLY 11 Ca 0.08 -0.77 -0.16 0.00 0.00 0.00 0.00 46.02 45.17 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 1.07 0.05 1.61 1.70 -1.26 -4.47 118.95 117.64 2bds s ARG 12 Ca 0.00 0.09 0.01 0.00 -0.47 0.00 0.00 55.73 55.36 2bds s ARG 12 Cb 0.00 0.50 -0.03 0.00 -0.57 0.00 0.00 34.95 34.85 2bds s ARG 12 CO 0.00 -0.37 -0.05 0.20 -1.08 0.00 0.00 175.30 174.01 2bds s GLY 13 N -1.53 0.48 -0.25 3.88 0.00 1.01 -4.61 107.32 106.31 2bds s GLY 13 Ca -0.08 -0.99 -0.29 0.00 0.00 0.00 0.00 44.72 43.37 2bds s GLY 13 CO 0.04 -1.07 1.07 0.99 0.00 0.00 0.00 173.10 174.13 2bds s ASP 14 N -2.29 7.04 -0.87 1.64 1.11 -0.85 -3.15 116.67 119.30 2bds s ASP 14 Ca -0.02 1.33 -0.22 0.00 0.18 0.00 0.00 52.55 53.83 2bds s ASP 14 Cb -0.01 -2.54 0.09 0.00 1.07 0.00 0.00 42.92 41.52 2bds s ASP 14 CO -0.04 -0.73 1.19 -0.22 1.18 0.00 0.00 175.17 176.54 2bds s LEU 15 N 3.35 4.31 -0.02 1.23 2.96 -1.26 0.07 118.68 129.32 2bds s LEU 15 Ca 0.45 -1.49 -0.30 0.00 -0.22 0.00 0.00 54.13 52.57 2bds s LEU 15 Cb -0.15 -2.46 -0.04 0.00 0.50 0.00 0.00 46.19 44.03 2bds s LEU 15 CO 0.09 -1.34 1.24 0.26 -1.32 0.00 0.00 176.35 175.27 2bds s TRP 16 N 3.90 3.18 -1.20 5.38 0.52 0.65 -4.73 118.94 126.64 2bds s TRP 16 Ca 0.34 1.16 0.24 0.00 0.02 0.00 0.00 56.10 57.85 2bds s TRP 16 Cb -0.07 -3.47 0.24 0.00 -1.15 0.00 0.00 33.47 29.02 2bds s TRP 16 CO -0.03 -1.52 1.23 -0.89 0.02 0.00 0.00 176.95 175.76 2bds n ILE 17 N 4.46 0.00 -2.81 2.03 5.41 -1.26 0.17 119.36 127.36 2bds n ILE 17 Ca 0.11 -0.04 -0.10 0.00 1.00 0.00 0.00 62.75 63.71 2bds n ILE 17 Cb 0.46 0.62 0.06 0.00 -0.71 0.00 0.00 39.64 40.07 2bds n ILE 17 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 2bds n LEU 18 N -1.25 -0.97 -4.18 1.39 4.77 -1.14 -3.55 117.00 112.09 2bds n LEU 18 Ca 0.06 -3.91 -0.13 0.00 -0.03 0.00 0.00 56.01 52.00 2bds n LEU 18 Cb 0.35 0.56 -0.10 0.00 -2.33 0.00 0.00 43.42 41.89 2bds n LEU 18 CO 0.36 1.99 -0.40 -0.60 -1.33 0.00 0.00 177.39 177.41 2bds s ARG 19 N -0.84 0.85 -0.07 3.23 6.06 0.15 -4.96 118.95 123.37 2bds s ARG 19 Ca 0.26 -1.22 0.05 0.00 -2.50 0.00 0.00 55.73 52.32 2bds s ARG 19 Cb 0.36 -0.42 -0.07 0.00 0.06 0.00 0.00 34.95 34.88 2bds s ARG 19 CO -0.05 0.05 0.00 0.41 -2.50 0.00 0.00 175.30 173.20 2bds n GLY 20 N 0.33 -0.27 3.16 8.12 0.00 -1.26 -4.36 105.19 110.90 2bds n GLY 20 Ca -0.14 -0.10 -0.18 0.00 0.00 0.00 0.00 46.02 45.60 2bds n GLY 20 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2bds s THR 21 N -2.16 1.05 0.23 2.61 -4.23 -1.26 -5.07 115.64 106.81 2bds s THR 21 Ca -0.05 -1.32 -0.19 0.00 -1.18 0.00 0.00 61.69 58.96 2bds s THR 21 Cb 0.02 -1.06 -0.08 0.00 1.34 0.00 0.00 72.50 72.72 2bds s THR 21 CO 0.25 -0.26 0.72 0.00 -0.54 0.00 0.00 174.62 174.78 2bds n PRO 23 N 0.60 -2.32 -0.04 0.00 -0.01 -1.26 -5.00 135.00 126.96 2bds n PRO 23 Ca -0.02 -0.56 0.03 0.00 -0.01 0.00 0.00 63.50 62.94 2bds n PRO 23 Cb 0.51 -0.83 0.04 0.00 -0.01 0.00 0.00 33.50 33.22 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 -1.95 3.06 0.00 -1.23 0.00 -1.26 -4.62 105.19 99.19 2bds n GLY 24 Ca 0.05 -0.34 0.09 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.73 -0.82 0.21 -0.02 0.00 -1.26 -4.14 105.19 98.43 2bds n GLY 25 Ca 0.05 -0.50 0.10 0.00 0.00 0.00 0.00 46.02 45.67 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 0.00 0.00 0.00 1.61 0.05 -2.00 -3.47 116.97 113.17 2bds h TYR 26 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2bds h TYR 26 Cb 0.65 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.39 2bds h TYR 26 CO 0.00 0.11 0.00 0.41 -1.05 0.00 0.00 178.16 177.63 2bds n GLY 27 N 1.06 0.81 3.47 3.88 0.00 -1.26 -5.04 105.19 108.11 2bds n GLY 27 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.28 -0.76 0.00 1.61 4.01 -1.26 -4.83 117.16 113.65 2bds n TYR 28 Ca 0.00 0.16 0.00 0.00 -0.16 0.00 0.00 57.90 57.90 2bds n TYR 28 Cb 0.00 -1.78 0.00 0.00 -0.31 0.00 0.00 39.34 37.25 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 -4.32 0.00 -3.46 -0.72 -2.24 -1.23 -4.98 114.28 97.34 2bds n THR 29 Ca 0.06 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.41 2bds n THR 29 Cb 0.55 0.00 -0.10 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 -1.51 6.11 -0.00 3.42 1.04 -1.21 -5.01 113.70 116.54 2bds s SER 30 Ca 0.00 -0.82 -0.04 0.00 0.48 0.00 0.00 55.95 55.57 2bds s SER 30 Cb 0.00 -2.16 -0.00 0.00 0.10 0.00 0.00 66.02 63.96 2bds s SER 30 CO 0.00 -0.43 0.08 0.54 0.98 0.00 0.00 173.24 174.41 2bds s ASN 31 N 1.69 0.05 -0.05 7.02 6.03 -1.26 -0.94 114.94 127.49 2bds s ASN 31 Ca 0.06 -0.17 -0.05 0.00 -1.03 0.00 0.00 52.86 51.66 2bds s ASN 31 Cb -0.19 0.18 -0.04 0.00 -3.03 0.00 0.00 41.25 38.17 2bds s ASN 31 CO 0.10 -0.26 0.18 0.00 -2.03 0.00 0.00 177.10 175.10 2bds s TYR 33 N -1.21 2.38 -0.40 0.00 1.51 -1.26 -1.53 117.35 116.83 2bds s TYR 33 Ca 0.23 -0.47 0.11 0.00 -1.01 0.00 0.00 57.07 55.92 2bds s TYR 33 Cb -0.13 -1.53 0.34 0.00 -0.11 0.00 0.00 41.96 40.54 2bds s TYR 33 CO 0.13 -0.06 0.74 1.63 -1.11 0.00 0.00 175.55 176.89 2bds n LYS 34 N 2.53 1.27 -1.01 -0.62 5.02 -1.00 -4.91 118.16 119.45 2bds n LYS 34 Ca -0.16 -3.58 -0.34 0.00 -2.02 0.00 0.00 58.31 52.21 2bds n LYS 34 Cb 0.51 -1.75 -0.01 0.00 -0.02 0.00 0.00 35.03 33.76 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 0.30 -1.03 1.14 2.13 -0.00 -1.26 -0.72 117.44 118.00 2bds n TRP 35 Ca 0.26 0.59 0.10 0.00 -0.00 0.00 0.00 57.50 58.44 2bds n TRP 35 Cb 0.61 -1.40 0.55 0.00 -0.00 0.00 0.00 31.31 31.07 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 0.89 0.53 -0.19 5.87 -0.05 -1.26 -4.97 135.00 135.82 2bds n PRO 36 Ca 0.11 0.03 0.00 0.00 -0.05 0.00 0.00 63.50 63.58 2bds n PRO 36 Cb 0.25 -1.50 0.00 0.00 -0.05 0.00 0.00 33.50 32.20 2bds n PRO 36 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 175.50 175.54 2bds n ASN 37 N -1.06 0.00 0.00 3.54 3.02 0.10 0.32 115.26 121.17 2bds n ASN 37 Ca 0.13 -0.24 0.00 0.00 -0.03 0.00 0.00 54.58 54.44 2bds n ASN 37 Cb 0.09 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.26 2bds n ASN 37 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2bds n ILE 38 N -0.30 0.00 -3.87 2.41 3.06 0.44 -2.37 119.36 118.73 2bds n ILE 38 Ca 0.00 0.00 -0.36 0.00 -2.50 0.00 0.00 62.75 59.89 2bds n ILE 38 Cb 0.00 0.00 -0.13 0.00 0.54 0.00 0.00 39.64 40.05 2bds n ILE 38 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2bds s TYR 41 N -0.91 2.58 0.63 0.00 1.51 -0.12 -2.01 117.35 119.03 2bds s TYR 41 Ca 0.14 -0.47 -0.11 0.00 -1.01 0.00 0.00 57.07 55.63 2bds s TYR 41 Cb -0.12 -1.60 -0.03 0.00 -0.11 0.00 0.00 41.96 40.09 2bds s TYR 41 CO 0.03 0.41 1.04 -1.25 -1.11 0.00 0.00 175.55 174.67 2bds s PRO 42 N -3.76 3.51 0.00 -1.71 0.04 -1.20 -3.35 135.00 128.53 2bds s PRO 42 Ca 0.36 0.74 0.01 0.00 0.04 0.00 0.00 61.00 62.16 2bds s PRO 42 Cb 0.01 -2.07 0.01 0.00 0.04 0.00 0.00 34.50 32.49 2bds s PRO 42 CO 0.20 -0.64 0.54 -2.39 0.04 0.00 0.00 177.00 174.76