#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 -0.80 -0.27 0.00 0.00 -1.25 -4.83 120.51 113.37 2bds n ALA 2 Ca 0.00 0.09 -0.10 0.00 0.00 0.00 0.00 53.44 53.42 2bds n ALA 2 Cb 0.00 -1.90 0.05 0.00 0.00 0.00 0.00 19.45 17.60 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 0.06 1.52 -2.38 0.00 -0.04 -1.26 -3.79 135.00 129.12 2bds n PRO 3 Ca 0.11 -1.12 -0.43 0.00 -0.04 0.00 0.00 63.50 62.03 2bds n PRO 3 Cb 0.43 -1.44 -0.02 0.00 -0.04 0.00 0.00 33.50 32.43 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 4.25 3.22 0.41 0.00 0.08 -1.26 0.14 117.98 124.82 2bds s PHE 5 Ca 0.58 1.10 0.03 0.00 0.12 0.00 0.00 56.93 58.76 2bds s PHE 5 Cb -0.19 -3.06 -0.01 0.00 -0.57 0.00 0.00 43.02 39.19 2bds s PHE 5 CO 0.22 -1.30 0.10 0.00 -0.10 0.00 0.00 175.22 174.14 2bds s SER 7 N -3.43 7.09 0.00 0.00 1.04 -1.26 -2.60 113.70 114.55 2bds s SER 7 Ca 0.14 1.69 0.00 0.00 0.48 0.00 0.00 55.95 58.26 2bds s SER 7 Cb 0.01 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.57 2bds s SER 7 CO 0.10 -0.58 0.00 0.61 0.98 0.00 0.00 173.24 174.35 2bds n GLY 8 N 3.32 2.98 3.15 7.32 0.00 -1.26 -4.96 105.19 115.74 2bds n GLY 8 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.01 2.34 0.00 1.61 1.02 -1.07 -5.09 119.74 118.53 2bds s LYS 9 Ca 0.00 -1.34 0.00 0.00 0.02 0.00 0.00 55.97 54.65 2bds s LYS 9 Cb 0.00 -3.17 0.00 0.00 -0.52 0.00 0.00 37.83 34.14 2bds s LYS 9 CO 0.00 -0.66 0.00 -0.35 -0.92 0.00 0.00 175.35 173.42 2bds n PRO 10 N 4.58 1.88 0.00 -1.68 -0.05 -1.26 -2.62 135.00 135.85 2bds n PRO 10 Ca -0.12 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.33 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 2.58 1.38 3.80 0.55 0.00 -1.26 -4.66 105.19 107.58 2bds n GLY 11 Ca 0.00 0.18 -0.08 0.00 0.00 0.00 0.00 46.02 46.13 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 1.71 0.01 1.61 1.70 -1.26 -4.68 118.95 118.04 2bds s ARG 12 Ca 0.00 -0.91 0.00 0.00 -0.47 0.00 0.00 55.73 54.35 2bds s ARG 12 Cb 0.00 0.60 -0.01 0.00 -0.57 0.00 0.00 34.95 34.97 2bds s ARG 12 CO 0.00 -0.78 -0.02 0.20 -1.08 0.00 0.00 175.30 173.62 2bds s GLY 13 N -2.90 0.18 -0.27 3.88 0.00 0.37 -4.81 107.32 103.77 2bds s GLY 13 Ca 0.10 -0.40 -0.29 0.00 0.00 0.00 0.00 44.72 44.13 2bds s GLY 13 CO 0.04 -0.44 1.08 0.99 0.00 0.00 0.00 173.10 174.77 2bds s ASP 14 N -0.96 6.99 -0.89 1.64 1.11 -1.00 -2.86 116.67 120.70 2bds s ASP 14 Ca -0.10 1.24 -0.21 0.00 0.18 0.00 0.00 52.55 53.65 2bds s ASP 14 Cb -0.07 -2.54 0.09 0.00 1.07 0.00 0.00 42.92 41.47 2bds s ASP 14 CO -0.01 -0.80 1.20 -0.22 1.18 0.00 0.00 175.17 176.53 2bds s LEU 15 N 3.49 4.34 -0.03 1.23 2.96 -1.26 -0.23 118.68 129.17 2bds s LEU 15 Ca 0.46 -1.56 -0.30 0.00 -0.22 0.00 0.00 54.13 52.51 2bds s LEU 15 Cb -0.14 -2.46 -0.04 0.00 0.50 0.00 0.00 46.19 44.05 2bds s LEU 15 CO 0.12 -1.32 1.19 0.26 -1.32 0.00 0.00 176.35 175.27 2bds s TRP 16 N 3.84 3.26 -1.47 5.38 0.52 0.61 -4.77 118.94 126.30 2bds s TRP 16 Ca 0.35 1.26 0.24 0.00 0.02 0.00 0.00 56.10 57.96 2bds s TRP 16 Cb -0.06 -3.40 0.28 0.00 -1.15 0.00 0.00 33.47 29.14 2bds s TRP 16 CO -0.04 -1.23 1.26 -0.89 0.02 0.00 0.00 176.95 176.07 2bds n ILE 17 N 4.46 0.00 -2.93 2.03 -0.00 -1.26 0.20 119.36 121.86 2bds n ILE 17 Ca 0.10 -0.10 -0.13 0.00 -0.00 0.00 0.00 62.75 62.62 2bds n ILE 17 Cb 0.46 0.72 -0.00 0.00 -0.00 0.00 0.00 39.64 40.82 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 -0.89 -2.06 -3.57 1.39 4.77 -1.11 -3.59 117.00 111.94 2bds n LEU 18 Ca 0.08 -3.66 -0.12 0.00 -0.03 0.00 0.00 56.01 52.28 2bds n LEU 18 Cb 0.37 0.74 -0.06 0.00 -2.33 0.00 0.00 43.42 42.15 2bds n LEU 18 CO 0.33 1.99 0.67 -0.13 -1.33 0.00 0.00 177.39 178.92 2bds s ARG 19 N 0.24 0.71 -0.01 3.23 0.52 -0.88 -4.97 118.95 117.79 2bds s ARG 19 Ca 0.32 0.25 0.17 0.00 -0.52 0.00 0.00 55.73 55.96 2bds s ARG 19 Cb 0.14 0.34 -0.21 0.00 0.52 0.00 0.00 34.95 35.74 2bds s ARG 19 CO -0.17 -0.21 0.61 0.41 0.02 0.00 0.00 175.30 175.96 2bds n GLY 20 N 1.00 -0.66 3.09 -3.53 0.00 -1.26 -4.59 105.19 99.24 2bds n GLY 20 Ca -0.13 -0.46 -0.09 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.79 0.13 0.19 2.61 -4.23 -1.26 -5.09 115.64 105.20 2bds s THR 21 Ca 0.02 -1.08 -0.03 0.00 -1.18 0.00 0.00 61.69 59.42 2bds s THR 21 Cb 0.12 -0.79 -0.05 0.00 1.34 0.00 0.00 72.50 73.12 2bds s THR 21 CO 0.70 -0.60 0.41 0.00 -0.54 0.00 0.00 174.62 174.60 2bds n PRO 23 N -0.37 -2.12 0.00 0.00 -0.04 -1.26 -5.04 135.00 126.16 2bds n PRO 23 Ca -0.03 -0.08 0.00 0.00 -0.04 0.00 0.00 63.50 63.35 2bds n PRO 23 Cb 0.53 -0.10 0.00 0.00 -0.04 0.00 0.00 33.50 33.89 2bds n PRO 23 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2bds n GLY 24 N -0.31 0.07 0.85 0.55 0.00 -1.26 -4.73 105.19 100.36 2bds n GLY 24 Ca 0.01 0.00 0.11 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 2.18 0.98 0.07 -0.02 0.00 -1.26 -4.26 105.19 102.88 2bds n GLY 25 Ca 0.00 -0.58 -0.05 0.00 0.00 0.00 0.00 46.02 45.39 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 3.36 -0.03 0.00 1.61 -1.99 -2.00 -3.48 116.97 114.44 2bds h TYR 26 Ca 0.00 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 2bds h TYR 26 Cb 0.74 0.01 0.00 0.00 2.00 0.00 0.00 36.73 39.48 2bds h TYR 26 CO 0.17 0.31 0.00 0.41 -0.00 0.00 0.00 178.16 179.05 2bds n GLY 27 N 1.62 -0.96 3.83 3.88 0.00 -1.26 -5.14 105.19 107.15 2bds n GLY 27 Ca -0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 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 2.91 0.00 1.61 2.02 -1.26 -4.72 117.35 117.91 2bds s TYR 28 Ca 0.00 1.06 0.00 0.00 -0.37 0.00 0.00 57.07 57.76 2bds s TYR 28 Cb 0.00 -3.17 0.00 0.00 -0.40 0.00 0.00 41.96 38.39 2bds s TYR 28 CO 0.00 -1.71 0.00 0.25 -1.57 0.00 0.00 175.55 172.52 2bds n THR 29 N -3.37 0.00 -3.59 -0.71 -2.24 -1.25 -4.97 114.28 98.16 2bds n THR 29 Ca 0.07 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.48 2bds n THR 29 Cb 0.57 0.00 -0.09 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 -1.40 6.17 0.08 3.42 1.04 -1.24 -4.97 113.70 116.80 2bds s SER 30 Ca 0.00 0.18 -0.17 0.00 0.48 0.00 0.00 55.95 56.44 2bds s SER 30 Cb 0.00 -2.14 0.04 0.00 0.10 0.00 0.00 66.02 64.02 2bds s SER 30 CO 0.00 0.01 0.42 0.54 0.98 0.00 0.00 173.24 175.19 2bds s ASN 31 N 1.16 -0.27 0.08 7.02 6.03 -1.26 -0.80 114.94 126.90 2bds s ASN 31 Ca 0.10 -0.13 0.07 0.00 -1.03 0.00 0.00 52.86 51.87 2bds s ASN 31 Cb -0.14 0.45 -0.04 0.00 -3.03 0.00 0.00 41.25 38.49 2bds s ASN 31 CO 0.06 -0.75 -0.16 0.00 -2.03 0.00 0.00 177.10 174.22 2bds s TYR 33 N -1.07 1.84 -0.42 0.00 1.51 -1.26 -1.97 117.35 115.99 2bds s TYR 33 Ca 0.17 -0.38 0.06 0.00 -1.01 0.00 0.00 57.07 55.92 2bds s TYR 33 Cb -0.11 -1.19 0.22 0.00 -0.11 0.00 0.00 41.96 40.77 2bds s TYR 33 CO 0.09 -0.05 0.53 0.36 -1.11 0.00 0.00 175.55 175.37 2bds n LYS 34 N 2.65 0.55 -1.12 -0.62 0.00 -1.05 -4.95 118.16 113.62 2bds n LYS 34 Ca -0.16 -2.92 -0.37 0.00 -0.00 0.00 0.00 58.31 54.87 2bds n LYS 34 Cb 0.53 -1.40 0.05 0.00 -0.00 0.00 0.00 35.03 34.20 2bds n LYS 34 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.40 178.31 2bds n TRP 35 N 1.98 -3.08 1.47 5.58 7.02 -1.26 -1.77 117.44 127.38 2bds n TRP 35 Ca 0.22 0.23 0.00 0.00 -1.02 0.00 0.00 57.50 56.93 2bds n TRP 35 Cb 0.53 -1.66 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 1.01 0.74 -0.33 -0.99 -0.04 -1.26 -4.97 135.00 129.17 2bds n PRO 36 Ca 0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 2bds n PRO 36 Cb 0.52 -1.01 0.00 0.00 -0.04 0.00 0.00 33.50 32.97 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 -0.48 1.15 -3.65 3.54 5.03 -0.73 -2.07 115.26 118.05 2bds n ASN 37 Ca 0.00 -0.21 -0.03 0.00 0.87 0.00 0.00 54.58 55.21 2bds n ASN 37 Cb 0.00 0.00 -0.07 0.00 -1.02 0.00 0.00 39.78 38.70 2bds n ASN 37 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.26 174.92 2bds s ILE 38 N 1.10 0.00 -0.31 2.41 2.07 0.52 -2.54 121.20 124.45 2bds s ILE 38 Ca 0.00 0.00 -0.07 0.00 -1.41 0.00 0.00 60.65 59.17 2bds s ILE 38 Cb 0.00 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 41.61 2bds s ILE 38 CO 0.00 0.00 0.10 0.00 -1.91 0.00 0.00 174.94 173.13 2bds n TYR 41 N 3.52 -1.56 -0.09 0.00 4.02 0.02 -2.37 117.16 120.70 2bds n TYR 41 Ca -0.09 -1.06 -0.06 0.00 -0.01 0.00 0.00 57.90 56.68 2bds n TYR 41 Cb 0.52 -0.22 0.01 0.00 -0.02 0.00 0.00 39.34 39.62 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 0.10 0.00 -0.72 0.11 -1.79 -3.31 132.00 126.39 2bds h PRO 42 Ca -0.15 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.95 2bds h PRO 42 Cb 0.59 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.68 2bds h PRO 42 CO 0.23 0.06 0.00 -2.39 -0.21 0.00 0.00 178.00 175.70