#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dtk s ALA 2 N 0.00 -0.35 0.15 0.00 0.00 -1.26 -4.87 121.76 115.42 1dtk s ALA 2 Ca 0.00 -0.25 -0.18 0.00 0.00 0.00 0.00 51.96 51.53 1dtk s ALA 2 Cb 0.00 0.24 0.05 0.00 0.00 0.00 0.00 23.12 23.42 1dtk s ALA 2 CO 0.00 -0.33 1.68 0.87 0.00 0.00 0.00 175.76 177.98 1dtk h LYS 3 N 3.61 0.00 -0.05 0.00 6.56 -2.03 -0.43 116.57 124.22 1dtk h LYS 3 Ca -0.32 -0.00 0.01 0.00 -1.06 0.00 0.00 60.65 59.29 1dtk h LYS 3 Cb 1.19 -0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.85 1dtk h LYS 3 CO 0.47 0.00 0.16 0.10 -2.06 0.00 0.00 179.45 178.12 1dtk h TYR 4 N 0.00 0.00 0.00 -1.35 -0.00 -1.98 -1.28 116.97 112.37 1dtk h TYR 4 Ca 0.16 0.00 -0.00 0.00 0.00 0.00 0.00 58.73 58.89 1dtk h TYR 4 Cb 0.24 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 36.97 1dtk h TYR 4 CO -0.31 0.00 -0.00 0.00 -0.00 0.00 0.00 178.16 177.85 1dtk h LYS 6 N 0.00 0.00 -6.85 0.00 3.64 -1.39 -3.38 116.57 108.58 1dtk h LYS 6 Ca -0.00 0.00 -0.53 0.00 -1.27 0.00 0.00 60.65 58.85 1dtk h LYS 6 Cb 0.03 0.00 0.08 0.00 -0.41 0.00 0.00 32.23 31.93 1dtk h LYS 6 CO 0.00 0.00 0.76 -0.51 -2.27 0.00 0.00 179.45 177.43 1dtk s LEU 7 N -5.47 4.37 0.00 5.20 1.43 0.43 -4.73 118.68 119.91 1dtk s LEU 7 Ca 0.06 2.85 -0.07 0.00 -1.03 0.00 0.00 54.13 55.93 1dtk s LEU 7 Cb 0.09 -3.65 0.11 0.00 0.03 0.00 0.00 46.19 42.77 1dtk s LEU 7 CO 0.56 -0.76 0.50 -0.81 0.23 0.00 0.00 176.35 176.07 1dtk n PRO 8 N 1.35 -1.11 -1.68 1.29 -0.04 -1.26 -4.54 135.00 129.01 1dtk n PRO 8 Ca 0.04 -0.78 -0.49 0.00 -0.04 0.00 0.00 63.50 62.22 1dtk n PRO 8 Cb 0.40 -0.60 -0.05 0.00 -0.04 0.00 0.00 33.50 33.20 1dtk n PRO 8 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1dtk n LEU 9 N 0.00 3.24 -3.36 1.53 7.94 -1.26 -4.91 117.00 120.17 1dtk n LEU 9 Ca 0.07 1.00 -0.26 0.00 -1.11 0.00 0.00 56.01 55.71 1dtk n LEU 9 Cb 0.24 -1.35 -0.09 0.00 0.53 0.00 0.00 43.42 42.74 1dtk n LEU 9 CO 0.17 -0.15 -0.29 -1.14 -1.11 0.00 0.00 177.39 174.87 1dtk n ARG 10 N 5.92 0.50 -0.28 1.96 3.00 -1.26 -4.94 116.66 121.55 1dtk n ARG 10 Ca 0.22 -3.31 0.00 0.00 -0.00 0.00 0.00 57.85 54.77 1dtk n ARG 10 Cb 0.27 -1.59 0.13 0.00 0.00 0.00 0.00 32.46 31.27 1dtk n ARG 10 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.63 178.45 1dtk h ILE 11 N 3.82 1.00 0.00 5.15 2.04 -1.91 -3.42 117.51 124.19 1dtk h ILE 11 Ca 0.20 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.78 1dtk h ILE 11 Cb 0.89 0.09 0.00 0.00 -0.74 0.00 0.00 36.82 37.06 1dtk h ILE 11 CO 0.43 0.15 0.00 0.61 0.00 0.00 0.00 178.15 179.34 1dtk n GLY 12 N -1.31 0.04 0.20 5.37 0.00 -1.26 -0.23 105.19 108.00 1dtk n GLY 12 Ca 0.11 -1.78 0.14 0.00 0.00 0.00 0.00 46.02 44.49 1dtk n GLY 12 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1dtk h PRO 13 N 0.00 0.00 -7.50 1.61 0.13 -1.95 -3.44 132.00 120.85 1dtk h PRO 13 Ca 0.00 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.66 1dtk h PRO 13 Cb 0.00 0.00 0.12 0.00 0.13 0.00 0.00 31.00 31.25 1dtk h PRO 13 CO 0.00 0.00 0.33 0.00 -0.23 0.00 0.00 178.00 178.10 1dtk n LYS 15 N -3.62 2.11 -1.43 0.00 3.00 -1.26 -4.77 118.16 112.19 1dtk n LYS 15 Ca 0.07 -1.71 -0.19 0.00 -0.00 0.00 0.00 58.31 56.47 1dtk n LYS 15 Cb 0.59 -1.46 0.13 0.00 0.00 0.00 0.00 35.03 34.28 1dtk n LYS 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1dtk n ARG 16 N 1.05 -0.68 -3.55 1.64 3.00 -1.25 -5.07 116.66 111.80 1dtk n ARG 16 Ca 0.14 -1.49 -0.12 0.00 -0.01 0.00 0.00 57.85 56.36 1dtk n ARG 16 Cb 0.56 -0.84 -0.11 0.00 0.00 0.00 0.00 32.46 32.07 1dtk n ARG 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.63 176.04 1dtk s LYS 17 N -4.83 0.24 -0.17 5.56 -2.85 -1.24 -4.26 119.74 112.19 1dtk s LYS 17 Ca 0.50 0.64 -0.01 0.00 -1.00 0.00 0.00 55.97 56.11 1dtk s LYS 17 Cb -0.02 -0.31 0.04 0.00 -2.06 0.00 0.00 37.83 35.49 1dtk s LYS 17 CO 0.35 -0.44 -0.04 0.42 0.10 0.00 0.00 175.35 175.73 1dtk s ILE 18 N 2.47 1.07 0.09 3.79 1.01 0.11 -4.88 121.20 124.86 1dtk s ILE 18 Ca 0.05 -0.64 -0.31 0.00 0.00 0.00 0.00 60.65 59.75 1dtk s ILE 18 Cb -0.14 -1.27 -0.09 0.00 0.01 0.00 0.00 42.46 40.97 1dtk s ILE 18 CO -0.12 0.10 1.72 -2.16 0.00 0.00 0.00 174.94 174.48 1dtk s PRO 19 N 1.65 4.17 0.34 2.79 0.04 -1.26 -0.48 135.00 142.24 1dtk s PRO 19 Ca 0.00 2.44 0.07 0.00 0.04 0.00 0.00 61.00 63.56 1dtk s PRO 19 Cb -0.15 -3.60 -0.03 0.00 0.04 0.00 0.00 34.50 30.76 1dtk s PRO 19 CO -0.08 -0.78 0.30 -1.12 0.04 0.00 0.00 177.00 175.37 1dtk s SER 20 N 2.53 1.74 0.03 6.66 0.01 0.13 -4.90 113.70 119.90 1dtk s SER 20 Ca 0.77 -1.77 0.07 0.00 1.31 0.00 0.00 55.95 56.32 1dtk s SER 20 Cb -0.42 0.58 -0.03 0.00 0.21 0.00 0.00 66.02 66.35 1dtk s SER 20 CO 0.34 -1.10 -0.18 -0.36 0.41 0.00 0.00 173.24 172.35 1dtk s PHE 21 N -3.36 2.56 0.22 2.43 0.40 0.53 -0.34 117.98 120.41 1dtk s PHE 21 Ca 0.40 -0.26 0.03 0.00 -0.60 0.00 0.00 56.93 56.50 1dtk s PHE 21 Cb 0.02 -1.48 -0.05 0.00 0.51 0.00 0.00 43.02 42.01 1dtk s PHE 21 CO 0.28 0.23 0.01 1.52 0.70 0.00 0.00 175.22 177.96 1dtk s TYR 22 N -0.88 1.49 -0.39 0.36 1.13 0.04 -0.41 117.35 118.68 1dtk s TYR 22 Ca 0.14 -0.98 -0.18 0.00 -1.41 0.00 0.00 57.07 54.64 1dtk s TYR 22 Cb -0.10 -0.86 0.01 0.00 -1.10 0.00 0.00 41.96 39.90 1dtk s TYR 22 CO 0.04 -0.12 0.50 -0.47 -2.51 0.00 0.00 175.55 172.99 1dtk s TYR 23 N -3.52 3.16 -0.89 -3.49 6.14 -1.26 -0.72 117.35 116.76 1dtk s TYR 23 Ca 0.29 -0.06 -0.25 0.00 0.64 0.00 0.00 57.07 57.70 1dtk s TYR 23 Cb 0.06 -2.97 0.03 0.00 0.42 0.00 0.00 41.96 39.50 1dtk s TYR 23 CO 0.08 -0.64 1.48 0.21 0.64 0.00 0.00 175.55 177.33 1dtk s LYS 24 N 2.36 3.28 0.44 4.97 2.20 0.64 -4.78 119.74 128.86 1dtk s LYS 24 Ca 0.17 -0.64 0.13 0.00 -0.36 0.00 0.00 55.97 55.27 1dtk s LYS 24 Cb -0.16 -4.90 1.04 0.00 -1.51 0.00 0.00 37.83 32.30 1dtk s LYS 24 CO 0.14 -2.36 2.01 2.35 -0.36 0.00 0.00 175.35 177.13 1dtk h TRP 25 N 10.39 0.38 -0.49 4.03 2.91 -1.80 0.52 115.95 131.89 1dtk h TRP 25 Ca 0.01 0.01 0.14 0.00 1.13 0.00 0.00 58.89 60.18 1dtk h TRP 25 Cb 1.03 -0.13 -0.02 0.00 -0.51 0.00 0.00 29.16 29.54 1dtk h TRP 25 CO 1.21 0.20 0.35 -0.22 -1.03 0.00 0.00 178.44 178.95 1dtk h LYS 26 N 0.38 0.02 -0.06 2.65 3.64 -1.91 -2.34 116.57 118.95 1dtk h LYS 26 Ca 0.23 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 1dtk h LYS 26 Cb 0.41 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 1dtk h LYS 26 CO -0.06 0.02 0.00 0.00 -2.27 0.00 0.00 179.45 177.14 1dtk n ALA 27 N -2.63 2.30 -4.19 5.00 0.00 0.86 -5.04 120.51 116.82 1dtk n ALA 27 Ca 0.09 -0.77 -0.36 0.00 0.00 0.00 0.00 53.44 52.40 1dtk n ALA 27 Cb 0.55 -0.15 -0.05 0.00 0.00 0.00 0.00 19.45 19.80 1dtk n ALA 27 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1dtk n LYS 28 N 0.08 -0.92 -3.64 0.00 5.02 0.14 -4.96 118.16 113.88 1dtk n LYS 28 Ca 0.03 0.12 -0.10 0.00 -2.02 0.00 0.00 58.31 56.35 1dtk n LYS 28 Cb 0.20 -3.32 -0.02 0.00 -0.02 0.00 0.00 35.03 31.87 1dtk n LYS 28 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 1dtk s GLN 29 N -7.30 1.53 -0.09 1.97 -2.07 -1.19 -4.99 119.66 107.52 1dtk s GLN 29 Ca 0.18 -0.73 -0.16 0.00 -1.82 0.00 0.00 55.36 52.83 1dtk s GLN 29 Cb -0.10 0.60 -0.05 0.00 -1.09 0.00 0.00 33.01 32.37 1dtk s GLN 29 CO 0.98 -0.69 0.41 0.00 -1.32 0.00 0.00 175.29 174.67 1dtk s LEU 31 N 0.05 1.32 0.72 0.00 1.43 0.10 -4.96 118.68 117.35 1dtk s LEU 31 Ca 0.23 -0.04 -0.11 0.00 -1.03 0.00 0.00 54.13 53.18 1dtk s LEU 31 Cb -0.15 0.84 0.02 0.00 0.03 0.00 0.00 46.19 46.93 1dtk s LEU 31 CO 0.10 -0.35 1.07 -2.16 0.23 0.00 0.00 176.35 175.24 1dtk s PRO 32 N -1.16 2.71 0.23 1.29 0.04 -1.26 -0.78 135.00 136.07 1dtk s PRO 32 Ca -0.12 1.06 -0.21 0.00 0.04 0.00 0.00 61.00 61.76 1dtk s PRO 32 Cb -0.06 -1.96 0.06 0.00 0.04 0.00 0.00 34.50 32.58 1dtk s PRO 32 CO 0.02 -1.28 0.94 -0.59 0.04 0.00 0.00 177.00 176.12 1dtk s PHE 33 N -2.94 0.01 -0.22 0.56 -0.71 0.54 -4.81 117.98 110.41 1dtk s PHE 33 Ca 0.60 -0.45 -0.07 0.00 -1.04 0.00 0.00 56.93 55.96 1dtk s PHE 33 Cb -0.15 0.72 -0.03 0.00 -1.21 0.00 0.00 43.02 42.34 1dtk s PHE 33 CO 0.54 -1.07 0.07 -0.51 -1.34 0.00 0.00 175.22 172.90 1dtk s ASP 34 N -3.16 5.36 0.15 1.98 1.01 -1.26 -0.69 116.67 120.06 1dtk s ASP 34 Ca 0.17 -0.07 -0.05 0.00 0.71 0.00 0.00 52.55 53.31 1dtk s ASP 34 Cb -0.03 -1.94 -0.06 0.00 1.01 0.00 0.00 42.92 41.90 1dtk s ASP 34 CO 0.06 0.07 0.38 -0.47 0.21 0.00 0.00 175.17 175.42 1dtk s TYR 35 N 1.00 3.47 -0.67 4.23 5.04 0.36 -4.72 117.35 126.06 1dtk s TYR 35 Ca 0.04 0.57 0.25 0.00 -2.44 0.00 0.00 57.07 55.49 1dtk s TYR 35 Cb -0.14 -2.01 0.87 0.00 0.35 0.00 0.00 41.96 41.03 1dtk s TYR 35 CO 0.03 0.42 1.76 -1.13 -1.34 0.00 0.00 175.55 175.29 1dtk n SER 36 N 0.05 0.74 -0.52 4.32 3.41 0.69 0.06 113.62 122.37 1dtk n SER 36 Ca -0.02 0.60 -0.06 0.00 -0.26 0.00 0.00 58.87 59.13 1dtk n SER 36 Cb 0.52 -0.79 -0.02 0.00 -0.26 0.00 0.00 64.21 63.66 1dtk n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1dtk n GLY 37 N 0.94 0.62 3.39 5.00 0.00 -1.26 -3.80 105.19 110.09 1dtk n GLY 37 Ca 0.05 -0.75 -0.15 0.00 0.00 0.00 0.00 46.02 45.17 1dtk n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dtk n GLY 39 N 1.49 2.02 4.86 0.00 0.00 -1.26 -3.99 105.19 108.32 1dtk n GLY 39 Ca -0.19 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1dtk n GLY 39 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dtk n GLY 40 N 0.00 1.17 0.46 -0.02 0.00 -1.26 -4.92 105.19 100.62 1dtk n GLY 40 Ca 0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 46.02 45.88 1dtk n GLY 40 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1dtk n ASN 41 N -0.66 -0.28 0.04 1.61 0.23 -1.26 -4.91 115.26 110.03 1dtk n ASN 41 Ca 0.00 -1.20 0.13 0.00 -0.53 0.00 0.00 54.58 52.99 1dtk n ASN 41 Cb 0.00 0.47 0.47 0.00 -2.08 0.00 0.00 39.78 38.64 1dtk n ASN 41 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1dtk n ALA 42 N -2.70 2.50 -1.38 -2.53 0.00 -1.26 -4.41 120.51 110.74 1dtk n ALA 42 Ca -0.02 -0.12 -0.39 0.00 0.00 0.00 0.00 53.44 52.91 1dtk n ALA 42 Cb 0.07 -1.40 -0.02 0.00 0.00 0.00 0.00 19.45 18.10 1dtk n ALA 42 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1dtk n ASN 43 N -1.79 7.51 -3.68 0.00 2.85 -1.26 -4.80 115.26 114.09 1dtk n ASN 43 Ca 0.06 -2.62 -0.10 0.00 -0.11 0.00 0.00 54.58 51.82 1dtk n ASN 43 Cb 0.38 -1.56 -0.10 0.00 1.24 0.00 0.00 39.78 39.74 1dtk n ASN 43 CO 0.00 0.00 0.00 -0.60 -2.11 0.00 0.00 177.26 174.55 1dtk s ARG 44 N 2.47 0.40 -0.00 1.20 3.52 -1.26 -4.30 118.95 120.99 1dtk s ARG 44 Ca 0.64 0.89 0.02 0.00 -0.13 0.00 0.00 55.73 57.15 1dtk s ARG 44 Cb 0.17 0.08 -0.01 0.00 -1.56 0.00 0.00 34.95 33.64 1dtk s ARG 44 CO -0.06 -0.18 -0.05 -0.06 -0.81 0.00 0.00 175.30 174.13 1dtk s PHE 45 N 1.72 0.49 -0.32 5.12 0.40 0.45 -4.99 117.98 120.86 1dtk s PHE 45 Ca -0.08 -0.12 0.27 0.00 -0.60 0.00 0.00 56.93 56.40 1dtk s PHE 45 Cb -0.09 -0.31 1.08 0.00 0.51 0.00 0.00 43.02 44.21 1dtk s PHE 45 CO -0.13 -0.01 1.80 0.87 0.70 0.00 0.00 175.22 178.44 1dtk h LYS 46 N 5.91 0.00 -4.53 0.44 1.79 -1.94 0.15 116.57 118.39 1dtk h LYS 46 Ca -0.28 0.00 -0.24 0.00 -2.18 0.00 0.00 60.65 57.94 1dtk h LYS 46 Cb 1.19 0.00 -0.19 0.00 -1.58 0.00 0.00 32.23 31.65 1dtk h LYS 46 CO 0.50 0.00 -0.72 0.95 -1.08 0.00 0.00 179.45 179.10 1dtk s THR 47 N -3.41 0.53 0.21 -0.16 -4.23 -1.26 -4.71 115.64 102.61 1dtk s THR 47 Ca 0.04 -1.36 -0.09 0.00 -1.18 0.00 0.00 61.69 59.10 1dtk s THR 47 Cb 0.09 -0.94 0.15 0.00 1.34 0.00 0.00 72.50 73.14 1dtk s THR 47 CO 0.45 -0.57 1.80 -0.29 -0.54 0.00 0.00 174.62 175.47 1dtk h ILE 48 N 3.99 0.93 -0.45 2.99 -0.00 -1.94 -2.72 117.51 120.31 1dtk h ILE 48 Ca -0.35 -0.22 -0.10 0.00 -0.00 0.00 0.00 64.86 64.18 1dtk h ILE 48 Cb 1.19 0.22 -0.02 0.00 -0.00 0.00 0.00 36.82 38.21 1dtk h ILE 48 CO 0.49 0.12 -0.13 -0.33 -0.00 0.00 0.00 178.15 178.30 1dtk h GLU 49 N 0.66 0.83 -0.07 2.19 4.39 -1.98 0.27 114.58 120.87 1dtk h GLU 49 Ca 0.31 -0.29 -0.00 0.00 0.34 0.00 0.00 59.36 59.72 1dtk h GLU 49 Cb 0.24 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 28.83 1dtk h GLU 49 CO -0.21 0.92 0.04 0.93 -1.16 0.00 0.00 179.01 179.53 1dtk h GLU 50 N 0.75 0.10 0.04 2.33 4.39 -1.95 0.21 114.58 120.45 1dtk h GLU 50 Ca 0.12 -0.01 0.03 0.00 0.34 0.00 0.00 59.36 59.84 1dtk h GLU 50 Cb 0.63 -0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 29.22 1dtk h GLU 50 CO 0.04 0.11 -0.24 0.00 -1.16 0.00 0.00 179.01 177.76 1dtk h ARG 52 N -0.40 0.88 -0.07 0.00 2.43 -0.25 0.45 114.38 117.42 1dtk h ARG 52 Ca 0.05 -0.20 -0.11 0.00 -0.81 0.00 0.00 59.98 58.91 1dtk h ARG 52 Cb 0.46 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 1dtk h ARG 52 CO -0.19 0.81 -0.46 -0.09 -1.51 0.00 0.00 179.97 178.54 1dtk h ARG 53 N 0.79 0.16 -0.01 0.20 9.65 -0.47 0.39 114.38 125.09 1dtk h ARG 53 Ca 0.18 -0.08 -0.01 0.00 -1.10 0.00 0.00 59.98 58.97 1dtk h ARG 53 Cb 0.31 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.89 1dtk h ARG 53 CO -0.00 0.59 -0.02 1.15 2.80 0.00 0.00 179.97 184.49 1dtk h THR 54 N 0.13 1.50 0.00 0.20 2.02 -0.87 -3.42 112.91 112.48 1dtk h THR 54 Ca 0.01 -1.50 -0.05 0.00 0.77 0.00 0.00 66.41 65.63 1dtk h THR 54 Cb 0.86 2.51 -0.01 0.00 -1.74 0.00 0.00 68.15 69.77 1dtk h THR 54 CO 0.07 0.39 -0.58 0.00 0.37 0.00 0.00 175.52 175.77 1dtk n VAL 56 N -4.60 0.00 1.93 0.00 0.31 0.14 -0.15 118.33 115.96 1dtk n VAL 56 Ca -0.12 -0.16 0.16 0.00 -0.01 0.00 0.00 64.34 64.20 1dtk n VAL 56 Cb 0.33 -1.49 0.89 0.00 -0.91 0.00 0.00 33.84 32.66 1dtk n VAL 56 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12