#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bds n ALA 2 N 0.00 -0.87 0.38 0.00 0.00 -1.24 -4.82 120.51 113.96 2bds n ALA 2 Ca 0.00 0.19 -0.02 0.00 0.00 0.00 0.00 53.44 53.61 2bds n ALA 2 Cb 0.00 -1.89 0.10 0.00 0.00 0.00 0.00 19.45 17.65 2bds n ALA 2 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2bds n PRO 3 N 0.37 1.88 -2.39 0.00 -0.04 -1.26 -3.45 135.00 130.11 2bds n PRO 3 Ca 0.11 -0.95 -0.43 0.00 -0.04 0.00 0.00 63.50 62.19 2bds n PRO 3 Cb 0.39 -1.59 -0.02 0.00 -0.04 0.00 0.00 33.50 32.24 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 4.16 1.14 0.21 0.00 0.08 -1.26 0.31 117.98 122.62 2bds s PHE 5 Ca 0.57 0.27 0.01 0.00 0.12 0.00 0.00 56.93 57.90 2bds s PHE 5 Cb -0.19 -4.10 0.01 0.00 -0.57 0.00 0.00 43.02 38.17 2bds s PHE 5 CO 0.21 -3.04 0.11 0.00 -0.10 0.00 0.00 175.22 172.40 2bds s SER 7 N -2.18 6.95 0.00 0.00 0.01 -1.26 -2.56 113.70 114.65 2bds s SER 7 Ca 0.08 1.71 0.00 0.00 1.31 0.00 0.00 55.95 59.05 2bds s SER 7 Cb -0.01 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.68 2bds s SER 7 CO 0.05 -0.75 0.00 0.61 0.41 0.00 0.00 173.24 173.56 2bds n GLY 8 N 3.60 2.70 3.09 3.44 0.00 -1.26 -4.96 105.19 111.80 2bds n GLY 8 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.00 1.85 0.52 1.61 1.02 -1.06 -5.09 119.74 118.60 2bds s LYS 9 Ca 0.00 -1.79 -0.18 0.00 0.02 0.00 0.00 55.97 54.02 2bds s LYS 9 Cb 0.00 -3.41 -0.07 0.00 -0.52 0.00 0.00 37.83 33.84 2bds s LYS 9 CO 0.00 -0.98 1.03 -1.25 -0.92 0.00 0.00 175.35 173.23 2bds s PRO 10 N 1.06 3.67 0.00 -1.68 0.05 -1.26 -2.24 135.00 134.59 2bds s PRO 10 Ca 0.08 1.24 0.00 0.00 0.05 0.00 0.00 61.00 62.37 2bds s PRO 10 Cb -0.21 -2.08 0.00 0.00 0.05 0.00 0.00 34.50 32.26 2bds s PRO 10 CO -0.05 -0.53 0.00 0.41 0.05 0.00 0.00 177.00 176.88 2bds n GLY 11 N -0.69 1.41 3.45 0.56 0.00 -1.26 -4.95 105.19 103.70 2bds n GLY 11 Ca 0.09 -0.53 -0.11 0.00 0.00 0.00 0.00 46.02 45.47 2bds n GLY 11 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2bds s ARG 12 N 0.00 1.13 -0.01 1.61 3.52 -1.26 -4.61 118.95 119.33 2bds s ARG 12 Ca 0.00 -0.37 -0.20 0.00 -0.13 0.00 0.00 55.73 55.03 2bds s ARG 12 Cb 0.00 0.52 0.04 0.00 -1.56 0.00 0.00 34.95 33.95 2bds s ARG 12 CO 0.00 -0.49 0.44 0.20 -0.81 0.00 0.00 175.30 174.65 2bds s GLY 13 N -2.55 -0.31 -0.03 8.12 0.00 0.93 -4.57 107.32 108.92 2bds s GLY 13 Ca 0.01 0.61 -0.30 0.00 0.00 0.00 0.00 44.72 45.04 2bds s GLY 13 CO -0.10 0.35 1.05 0.99 0.00 0.00 0.00 173.10 175.39 2bds s ASP 14 N -1.46 7.24 -0.57 1.64 1.11 0.42 -2.96 116.67 122.09 2bds s ASP 14 Ca -0.11 1.70 -0.19 0.00 0.18 0.00 0.00 52.55 54.13 2bds s ASP 14 Cb -0.03 -2.57 0.09 0.00 1.07 0.00 0.00 42.92 41.48 2bds s ASP 14 CO 0.04 -0.39 0.70 -0.22 1.18 0.00 0.00 175.17 176.48 2bds s LEU 15 N 1.46 5.17 -0.20 1.23 2.96 -1.26 0.72 118.68 128.77 2bds s LEU 15 Ca 0.53 -1.22 -0.21 0.00 -0.22 0.00 0.00 54.13 53.00 2bds s LEU 15 Cb -0.22 -2.36 -0.02 0.00 0.50 0.00 0.00 46.19 44.08 2bds s LEU 15 CO 0.25 -1.06 0.64 0.26 -1.32 0.00 0.00 176.35 175.12 2bds s TRP 16 N 2.76 3.38 -0.51 5.38 0.52 0.39 -4.78 118.94 126.08 2bds s TRP 16 Ca 0.13 0.95 0.24 0.00 0.02 0.00 0.00 56.10 57.44 2bds s TRP 16 Cb -0.22 -2.81 0.23 0.00 -1.15 0.00 0.00 33.47 29.51 2bds s TRP 16 CO 0.08 -0.18 1.24 0.82 0.02 0.00 0.00 176.95 178.93 2bds h ILE 17 N 5.19 0.00 -0.94 2.03 2.04 -1.86 1.23 117.51 125.20 2bds h ILE 17 Ca -0.31 -0.67 -0.36 0.00 1.00 0.00 0.00 64.86 64.53 2bds h ILE 17 Cb 1.14 1.23 -0.24 0.00 -0.74 0.00 0.00 36.82 38.21 2bds h ILE 17 CO 0.78 0.00 -0.74 0.18 0.00 0.00 0.00 178.15 178.37 2bds n LEU 18 N -2.32 -1.73 -3.67 1.44 4.77 -1.17 -2.74 117.00 111.58 2bds n LEU 18 Ca 0.02 -3.82 -0.14 0.00 -0.03 0.00 0.00 56.01 52.04 2bds n LEU 18 Cb 0.48 0.74 -0.08 0.00 -2.33 0.00 0.00 43.42 42.23 2bds n LEU 18 CO 0.38 2.01 0.28 -0.13 -1.33 0.00 0.00 177.39 178.59 2bds s ARG 19 N 0.02 0.71 0.17 3.23 0.52 0.35 -4.95 118.95 119.00 2bds s ARG 19 Ca 0.33 0.73 0.23 0.00 -0.52 0.00 0.00 55.73 56.49 2bds s ARG 19 Cb 0.18 0.35 -0.02 0.00 0.52 0.00 0.00 34.95 35.97 2bds s ARG 19 CO -0.18 -0.10 0.99 0.41 0.02 0.00 0.00 175.30 176.44 2bds n GLY 20 N 2.56 -1.40 3.09 -3.53 0.00 -1.26 -4.56 105.19 100.09 2bds n GLY 20 Ca -0.14 -0.27 -0.09 0.00 0.00 0.00 0.00 46.02 45.51 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 -3.36 0.13 0.66 2.61 -4.23 -1.26 -5.08 115.64 105.11 2bds s THR 21 Ca -0.01 -1.09 -0.11 0.00 -1.18 0.00 0.00 61.69 59.30 2bds s THR 21 Cb 0.10 -0.82 -0.02 0.00 1.34 0.00 0.00 72.50 73.11 2bds s THR 21 CO 0.80 -0.60 1.06 0.00 -0.54 0.00 0.00 174.62 175.33 2bds n PRO 23 N -2.86 1.46 0.00 0.00 -0.01 -1.26 -4.37 135.00 127.97 2bds n PRO 23 Ca 0.06 0.47 0.00 0.00 -0.01 0.00 0.00 63.50 64.03 2bds n PRO 23 Cb 0.55 -2.51 0.00 0.00 -0.01 0.00 0.00 33.50 31.53 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 5.50 0.00 3.62 -1.23 0.00 -1.26 -1.69 105.19 110.13 2bds n GLY 24 Ca 0.33 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.14 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 0.00 -0.34 0.00 -0.02 0.00 -1.26 -4.94 105.19 98.63 2bds n GLY 25 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -4.29 0.00 0.00 1.61 4.02 -0.68 -4.89 117.16 112.93 2bds n TYR 26 Ca -0.26 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.63 2bds n TYR 26 Cb 0.66 -0.11 0.00 0.00 -0.02 0.00 0.00 39.34 39.87 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 2.33 0.00 3.85 2.72 0.00 -1.26 -5.08 105.19 107.74 2bds n GLY 27 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.15 2.66 0.00 1.61 2.02 -1.26 -4.86 117.35 116.37 2bds s TYR 28 Ca 0.00 0.77 0.00 0.00 -0.37 0.00 0.00 57.07 57.47 2bds s TYR 28 Cb 0.00 -3.48 0.00 0.00 -0.40 0.00 0.00 41.96 38.08 2bds s TYR 28 CO 0.00 -2.11 0.00 0.25 -1.57 0.00 0.00 175.55 172.12 2bds n THR 29 N -3.56 0.00 -3.40 -0.71 -2.24 -1.25 -4.85 114.28 98.28 2bds n THR 29 Ca 0.08 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.46 2bds n THR 29 Cb 0.60 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.74 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 -1.44 6.21 -0.03 3.42 1.04 -1.25 -5.00 113.70 116.66 2bds s SER 30 Ca 0.00 0.07 -0.18 0.00 0.48 0.00 0.00 55.95 56.32 2bds s SER 30 Cb 0.00 -2.20 0.03 0.00 0.10 0.00 0.00 66.02 63.95 2bds s SER 30 CO 0.00 -0.25 0.38 0.54 0.98 0.00 0.00 173.24 174.89 2bds s ASN 31 N 1.69 -0.29 -0.06 7.02 2.20 -1.26 0.40 114.94 124.65 2bds s ASN 31 Ca 0.14 0.23 -0.03 0.00 -0.94 0.00 0.00 52.86 52.26 2bds s ASN 31 Cb -0.16 0.37 -0.04 0.00 -2.00 0.00 0.00 41.25 39.43 2bds s ASN 31 CO 0.11 -0.47 0.09 0.00 -2.94 0.00 0.00 177.10 173.89 2bds s TYR 33 N -1.09 2.60 -0.45 0.00 1.51 -1.26 -2.11 117.35 116.55 2bds s TYR 33 Ca 0.19 -0.59 0.05 0.00 -1.01 0.00 0.00 57.07 55.71 2bds s TYR 33 Cb -0.12 -1.67 0.18 0.00 -0.11 0.00 0.00 41.96 40.24 2bds s TYR 33 CO 0.09 -0.13 0.49 0.15 -1.11 0.00 0.00 175.55 175.04 2bds s LYS 34 N -0.14 0.97 0.70 -0.62 3.01 -1.04 -4.96 119.74 117.67 2bds s LYS 34 Ca -0.03 -1.72 -0.16 0.00 -1.01 0.00 0.00 55.97 53.05 2bds s LYS 34 Cb -0.14 -0.90 -0.02 0.00 -1.01 0.00 0.00 37.83 35.76 2bds s LYS 34 CO 0.04 -1.37 0.73 1.87 0.51 0.00 0.00 175.35 177.13 2bds n TRP 35 N 2.88 -0.11 0.83 3.18 -0.00 -1.26 -0.42 117.44 122.54 2bds n TRP 35 Ca 0.25 0.38 0.09 0.00 -0.00 0.00 0.00 57.50 58.23 2bds n TRP 35 Cb 0.51 -2.00 0.46 0.00 -0.00 0.00 0.00 31.31 30.28 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 -1.16 0.20 -0.30 5.87 -0.04 -1.26 -4.96 135.00 133.35 2bds n PRO 36 Ca 0.12 0.13 0.00 0.00 -0.04 0.00 0.00 63.50 63.70 2bds n PRO 36 Cb 0.49 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.45 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 -1.34 0.00 0.00 3.54 3.02 0.45 0.13 115.26 121.05 2bds n ASN 37 Ca 0.08 -0.52 0.00 0.00 -0.03 0.00 0.00 54.58 54.11 2bds n ASN 37 Cb 0.17 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.34 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 -0.73 0.00 -3.82 2.41 3.06 0.42 -2.48 119.36 118.22 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 -0.12 0.00 0.54 0.00 0.00 39.64 40.06 2bds n ILE 38 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2bds n TYR 41 N 2.00 -0.68 0.04 0.00 4.02 0.16 -0.44 117.16 122.26 2bds n TYR 41 Ca -0.03 -2.11 -0.13 0.00 -0.01 0.00 0.00 57.90 55.63 2bds n TYR 41 Cb 0.49 -0.41 -0.08 0.00 -0.02 0.00 0.00 39.34 39.32 2bds n TYR 41 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 2bds h PRO 42 N 0.00 -0.05 0.00 -0.72 0.11 -1.87 -3.32 132.00 126.15 2bds h PRO 42 Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 2bds h PRO 42 Cb 1.15 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2bds h PRO 42 CO 0.49 0.15 0.00 -2.39 -0.21 0.00 0.00 178.00 176.04