#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 -0.30 -0.01 0.00 0.00 -1.26 -4.86 121.76 115.33 1dtk s ALA 2 Ca 0.00 -0.61 -0.24 0.00 0.00 0.00 0.00 51.96 51.11 1dtk s ALA 2 Cb 0.00 0.70 -0.17 0.00 0.00 0.00 0.00 23.12 23.65 1dtk s ALA 2 CO 0.00 -0.61 1.18 -0.22 0.00 0.00 0.00 175.76 176.11 1dtk h LYS 3 N 2.56 -0.23 0.00 0.00 3.11 -2.03 -3.19 116.57 116.78 1dtk h LYS 3 Ca -0.33 0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.53 1dtk h LYS 3 Cb 1.23 0.05 0.00 0.00 -1.00 0.00 0.00 32.23 32.51 1dtk h LYS 3 CO 0.50 0.14 0.00 0.10 -2.81 0.00 0.00 179.45 177.38 1dtk h TYR 4 N -0.68 0.00 -0.73 1.91 -0.00 -1.98 -1.80 116.97 113.69 1dtk h TYR 4 Ca -0.02 0.00 0.21 0.00 0.00 0.00 0.00 58.73 58.92 1dtk h TYR 4 Cb 0.48 0.00 -0.03 0.00 0.00 0.00 0.00 36.73 37.19 1dtk h TYR 4 CO 0.05 0.00 0.65 0.00 -0.00 0.00 0.00 178.16 178.86 1dtk h LYS 6 N 0.00 0.00 -7.02 0.00 1.57 -1.53 -3.40 116.57 106.19 1dtk h LYS 6 Ca 0.35 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.60 1dtk h LYS 6 Cb 1.64 0.00 0.10 0.00 0.08 0.00 0.00 32.23 34.05 1dtk h LYS 6 CO -0.00 0.00 0.55 -0.51 -0.57 0.00 0.00 179.45 178.92 1dtk s LEU 7 N -5.15 3.95 0.00 2.94 1.43 0.01 -4.71 118.68 117.14 1dtk s LEU 7 Ca 0.07 2.55 -0.13 0.00 -1.03 0.00 0.00 54.13 55.60 1dtk s LEU 7 Cb 0.09 -4.23 0.17 0.00 0.03 0.00 0.00 46.19 42.26 1dtk s LEU 7 CO 0.57 -1.22 0.97 -0.81 0.23 0.00 0.00 176.35 176.09 1dtk n PRO 8 N -0.70 -1.08 -1.66 1.29 -0.04 -1.26 -4.58 135.00 126.97 1dtk n PRO 8 Ca 0.08 -1.51 -0.49 0.00 -0.04 0.00 0.00 63.50 61.54 1dtk n PRO 8 Cb 0.46 -1.03 -0.05 0.00 -0.04 0.00 0.00 33.50 32.84 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 2.75 -3.27 1.53 7.94 -1.26 -4.92 117.00 119.76 1dtk n LEU 9 Ca 0.12 1.07 -0.25 0.00 -1.11 0.00 0.00 56.01 55.84 1dtk n LEU 9 Cb 0.43 -1.33 -0.08 0.00 0.53 0.00 0.00 43.42 42.97 1dtk n LEU 9 CO 0.31 -0.43 -0.30 -1.14 -1.11 0.00 0.00 177.39 174.72 1dtk n ARG 10 N 4.14 0.46 -0.17 1.96 3.00 -1.26 -4.96 116.66 119.84 1dtk n ARG 10 Ca 0.20 -3.17 -0.06 0.00 -0.00 0.00 0.00 57.85 54.81 1dtk n ARG 10 Cb 0.25 -1.43 0.10 0.00 0.00 0.00 0.00 32.46 31.38 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 3.25 1.25 0.00 5.15 1.08 -1.89 -3.42 117.51 122.92 1dtk h ILE 11 Ca 0.16 -1.04 0.00 0.00 -0.39 0.00 0.00 64.86 63.59 1dtk h ILE 11 Cb 0.90 0.78 0.00 0.00 -3.07 0.00 0.00 36.82 35.42 1dtk h ILE 11 CO 0.41 0.38 0.00 0.61 -0.69 0.00 0.00 178.15 178.86 1dtk n GLY 12 N -0.59 -0.43 0.12 5.37 0.00 -1.26 -0.50 105.19 107.89 1dtk n GLY 12 Ca 0.03 -1.57 0.01 0.00 0.00 0.00 0.00 46.02 44.49 1dtk n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1dtk n PRO 13 N -0.00 1.15 -0.00 1.61 -0.04 -1.25 -4.68 135.00 131.79 1dtk n PRO 13 Ca 0.00 -0.23 -0.00 0.00 -0.04 0.00 0.00 63.50 63.23 1dtk n PRO 13 Cb 0.00 -1.06 0.00 0.00 -0.04 0.00 0.00 33.50 32.40 1dtk n PRO 13 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1dtk n LYS 15 N -1.31 1.22 -4.20 0.00 4.76 -1.26 -4.94 118.16 112.43 1dtk n LYS 15 Ca 0.00 -3.56 -0.18 0.00 -2.87 0.00 0.00 58.31 51.70 1dtk n LYS 15 Cb 0.00 -1.67 -0.06 0.00 -1.84 0.00 0.00 35.03 31.46 1dtk n LYS 15 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1dtk s ARG 16 N -2.24 1.84 -0.31 1.97 0.52 -1.26 -5.06 118.95 114.40 1dtk s ARG 16 Ca 0.40 -1.92 0.03 0.00 -0.52 0.00 0.00 55.73 53.71 1dtk s ARG 16 Cb 0.29 0.38 0.16 0.00 0.52 0.00 0.00 34.95 36.30 1dtk s ARG 16 CO -0.09 -0.72 0.41 -1.59 0.02 0.00 0.00 175.30 173.34 1dtk s LYS 17 N -3.25 0.48 -0.20 3.54 -2.85 -1.24 -4.35 119.74 111.88 1dtk s LYS 17 Ca 0.37 -0.10 -0.01 0.00 -1.00 0.00 0.00 55.97 55.22 1dtk s LYS 17 Cb 0.01 -0.37 0.00 0.00 -2.06 0.00 0.00 37.83 35.42 1dtk s LYS 17 CO 0.25 -1.08 -0.12 0.42 0.10 0.00 0.00 175.35 174.92 1dtk s ILE 18 N 2.28 2.77 0.42 3.79 1.01 0.61 -4.93 121.20 127.14 1dtk s ILE 18 Ca 0.11 -0.70 -0.27 0.00 0.00 0.00 0.00 60.65 59.80 1dtk s ILE 18 Cb -0.12 -2.22 -0.10 0.00 0.01 0.00 0.00 42.46 40.03 1dtk s ILE 18 CO -0.24 0.48 1.47 -2.16 0.00 0.00 0.00 174.94 174.49 1dtk s PRO 19 N 1.34 3.89 0.37 2.79 0.04 -1.26 0.04 135.00 142.20 1dtk s PRO 19 Ca 0.04 2.51 -0.07 0.00 0.04 0.00 0.00 61.00 63.53 1dtk s PRO 19 Cb -0.14 -2.81 0.03 0.00 0.04 0.00 0.00 34.50 31.62 1dtk s PRO 19 CO -0.07 -0.69 0.61 -1.12 0.04 0.00 0.00 177.00 175.77 1dtk s SER 20 N -0.31 0.64 0.11 6.66 0.01 0.29 -4.76 113.70 116.34 1dtk s SER 20 Ca 0.57 -1.40 0.09 0.00 1.31 0.00 0.00 55.95 56.53 1dtk s SER 20 Cb -0.45 0.75 -0.04 0.00 0.21 0.00 0.00 66.02 66.49 1dtk s SER 20 CO 0.60 -1.48 -0.24 -0.36 0.41 0.00 0.00 173.24 172.18 1dtk s PHE 21 N -2.66 2.05 0.22 2.43 0.40 0.94 -0.21 117.98 121.16 1dtk s PHE 21 Ca 0.25 -0.40 0.01 0.00 -0.60 0.00 0.00 56.93 56.19 1dtk s PHE 21 Cb -0.02 -1.12 -0.05 0.00 0.51 0.00 0.00 43.02 42.34 1dtk s PHE 21 CO 0.18 0.26 0.09 1.52 0.70 0.00 0.00 175.22 177.96 1dtk s TYR 22 N -1.08 1.35 -0.46 0.36 1.13 0.03 -0.37 117.35 118.31 1dtk s TYR 22 Ca 0.10 -1.21 -0.16 0.00 -1.41 0.00 0.00 57.07 54.39 1dtk s TYR 22 Cb -0.10 -0.76 0.06 0.00 -1.10 0.00 0.00 41.96 40.06 1dtk s TYR 22 CO 0.05 -0.41 0.41 -0.47 -2.51 0.00 0.00 175.55 172.62 1dtk s TYR 23 N -3.86 3.21 -0.97 -3.49 6.14 -1.26 -0.62 117.35 116.49 1dtk s TYR 23 Ca 0.35 -0.77 -0.24 0.00 0.64 0.00 0.00 57.07 57.05 1dtk s TYR 23 Cb 0.07 -3.09 -0.01 0.00 0.42 0.00 0.00 41.96 39.36 1dtk s TYR 23 CO 0.11 -0.78 1.74 0.21 0.64 0.00 0.00 175.55 177.47 1dtk s LYS 24 N 1.81 3.01 0.42 4.97 2.20 0.42 -4.81 119.74 127.76 1dtk s LYS 24 Ca 0.06 -0.71 0.09 0.00 -0.36 0.00 0.00 55.97 55.05 1dtk s LYS 24 Cb -0.22 -5.20 0.91 0.00 -1.51 0.00 0.00 37.83 31.81 1dtk s LYS 24 CO 0.08 -2.90 2.04 2.35 -0.36 0.00 0.00 175.35 176.56 1dtk h TRP 25 N 10.50 0.48 0.00 4.03 2.91 -1.81 0.50 115.95 132.57 1dtk h TRP 25 Ca 0.16 0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.19 1dtk h TRP 25 Cb 1.00 -0.16 0.00 0.00 -0.51 0.00 0.00 29.16 29.49 1dtk h TRP 25 CO 1.25 0.29 0.00 1.17 -1.03 0.00 0.00 178.44 180.12 1dtk n LYS 26 N -4.48 0.20 -0.02 2.65 4.81 -1.26 -1.78 118.16 118.28 1dtk n LYS 26 Ca 0.04 0.15 -0.01 0.00 -0.87 0.00 0.00 58.31 57.63 1dtk n LYS 26 Cb 0.13 -1.50 -0.05 0.00 0.02 0.00 0.00 35.03 33.63 1dtk n LYS 26 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1dtk n ALA 27 N -1.29 2.00 -2.82 3.14 0.00 0.48 -5.07 120.51 116.96 1dtk n ALA 27 Ca 0.07 -0.32 -0.11 0.00 0.00 0.00 0.00 53.44 53.07 1dtk n ALA 27 Cb 0.11 -0.01 0.05 0.00 0.00 0.00 0.00 19.45 19.60 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 -2.05 -1.69 -3.50 0.00 5.02 0.15 -5.07 118.16 111.03 1dtk n LYS 28 Ca -0.07 0.66 -0.15 0.00 -2.02 0.00 0.00 58.31 56.72 1dtk n LYS 28 Cb 0.51 -4.76 -0.05 0.00 -0.02 0.00 0.00 35.03 30.71 1dtk n LYS 28 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 1dtk s GLN 29 N -4.04 1.08 0.09 1.97 0.74 -1.19 -5.00 119.66 113.31 1dtk s GLN 29 Ca 0.34 0.02 -0.30 0.00 0.05 0.00 0.00 55.36 55.48 1dtk s GLN 29 Cb -0.04 0.51 -0.05 0.00 1.10 0.00 0.00 33.01 34.52 1dtk s GLN 29 CO 0.56 -0.39 0.97 0.00 -0.55 0.00 0.00 175.29 175.88 1dtk s LEU 31 N 0.23 1.67 0.75 0.00 1.43 0.20 -4.94 118.68 118.02 1dtk s LEU 31 Ca 0.48 -0.30 -0.11 0.00 -1.03 0.00 0.00 54.13 53.17 1dtk s LEU 31 Cb -0.23 0.61 0.04 0.00 0.03 0.00 0.00 46.19 46.64 1dtk s LEU 31 CO 0.29 -0.39 1.08 -2.16 0.23 0.00 0.00 176.35 175.40 1dtk s PRO 32 N -1.63 2.46 0.21 1.29 0.04 -1.26 -0.79 135.00 135.32 1dtk s PRO 32 Ca -0.13 0.89 -0.21 0.00 0.04 0.00 0.00 61.00 61.59 1dtk s PRO 32 Cb -0.07 -1.94 0.07 0.00 0.04 0.00 0.00 34.50 32.61 1dtk s PRO 32 CO 0.00 -1.42 1.01 -0.59 0.04 0.00 0.00 177.00 176.05 1dtk s PHE 33 N -3.05 0.09 -0.35 0.56 -0.71 0.71 -4.81 117.98 110.43 1dtk s PHE 33 Ca 0.60 -0.54 -0.06 0.00 -1.04 0.00 0.00 56.93 55.89 1dtk s PHE 33 Cb -0.15 0.72 0.05 0.00 -1.21 0.00 0.00 43.02 42.44 1dtk s PHE 33 CO 0.55 -1.01 0.12 -0.51 -1.34 0.00 0.00 175.22 173.03 1dtk s ASP 34 N -3.41 5.30 0.46 1.98 1.01 -1.26 -0.55 116.67 120.19 1dtk s ASP 34 Ca 0.22 -1.29 -0.22 0.00 0.71 0.00 0.00 52.55 51.97 1dtk s ASP 34 Cb -0.03 -1.86 -0.08 0.00 1.01 0.00 0.00 42.92 41.96 1dtk s ASP 34 CO 0.06 -0.37 1.06 -0.47 0.21 0.00 0.00 175.17 175.66 1dtk s TYR 35 N 1.36 3.05 0.00 4.23 5.04 0.11 -4.71 117.35 126.43 1dtk s TYR 35 Ca -0.01 1.59 0.00 0.00 -2.44 0.00 0.00 57.07 56.22 1dtk s TYR 35 Cb -0.20 -3.13 0.00 0.00 0.35 0.00 0.00 41.96 38.98 1dtk s TYR 35 CO 0.02 -0.87 0.25 -1.13 -1.34 0.00 0.00 175.55 172.48 1dtk n SER 36 N -0.66 0.00 0.00 4.32 3.41 0.34 -0.29 113.62 120.74 1dtk n SER 36 Ca 0.08 0.26 0.00 0.00 -0.26 0.00 0.00 58.87 58.95 1dtk n SER 36 Cb 0.51 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 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 1.01 0.12 3.21 5.00 0.00 -1.26 -3.70 105.19 109.58 1dtk n GLY 37 Ca 0.00 -0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.25 -0.39 0.00 0.00 0.00 -1.26 -3.77 105.19 99.53 1dtk n GLY 39 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -1.59 0.19 0.00 -0.02 0.00 -1.26 -4.19 105.19 98.32 1dtk n GLY 40 Ca -0.03 -1.76 0.00 0.00 0.00 0.00 0.00 46.02 44.23 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 0.00 0.26 0.11 1.61 0.23 -1.26 -5.03 115.26 111.18 1dtk n ASN 41 Ca 0.00 -0.85 0.12 0.00 -0.53 0.00 0.00 54.58 53.32 1dtk n ASN 41 Cb 0.00 0.00 0.25 0.00 -2.08 0.00 0.00 39.78 37.95 1dtk n ASN 41 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1dtk h ALA 42 N 1.00 0.82 -0.13 -2.53 0.00 -1.99 -3.39 119.26 113.05 1dtk h ALA 42 Ca 0.00 0.00 -0.69 0.00 0.00 0.00 0.00 54.91 54.22 1dtk h ALA 42 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1dtk h ALA 42 CO 0.00 0.00 3.42 -1.71 0.00 0.00 0.00 179.25 180.96 1dtk n ASN 43 N -2.41 7.28 -3.66 0.00 2.85 -1.26 -4.80 115.26 113.25 1dtk n ASN 43 Ca 0.04 -2.73 -0.08 0.00 -0.11 0.00 0.00 54.58 51.70 1dtk n ASN 43 Cb 0.46 -1.56 -0.09 0.00 1.24 0.00 0.00 39.78 39.84 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 1.93 0.39 -0.01 1.20 3.52 -1.26 -4.37 118.95 120.35 1dtk s ARG 44 Ca 0.61 1.07 0.03 0.00 -0.13 0.00 0.00 55.73 57.31 1dtk s ARG 44 Cb 0.17 0.35 -0.01 0.00 -1.56 0.00 0.00 34.95 33.90 1dtk s ARG 44 CO -0.07 -0.22 -0.10 -0.06 -0.81 0.00 0.00 175.30 174.03 1dtk s PHE 45 N 2.42 0.97 0.26 5.12 0.08 0.50 -4.98 117.98 122.35 1dtk s PHE 45 Ca -0.04 -0.20 0.28 0.00 0.12 0.00 0.00 56.93 57.09 1dtk s PHE 45 Cb -0.11 -0.64 1.25 0.00 -0.57 0.00 0.00 43.02 42.95 1dtk s PHE 45 CO -0.14 -0.04 1.96 0.87 -0.10 0.00 0.00 175.22 177.77 1dtk h LYS 46 N 6.00 0.00 -4.92 0.44 1.57 -1.92 0.27 116.57 118.01 1dtk h LYS 46 Ca -0.32 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.13 1dtk h LYS 46 Cb 1.17 0.00 -0.21 0.00 0.08 0.00 0.00 32.23 33.28 1dtk h LYS 46 CO 0.49 0.14 -0.75 0.95 -0.57 0.00 0.00 179.45 179.72 1dtk s THR 47 N -3.87 0.82 0.30 -0.16 -4.23 -1.26 -4.64 115.64 102.60 1dtk s THR 47 Ca -0.01 -1.28 0.01 0.00 -1.18 0.00 0.00 61.69 59.23 1dtk s THR 47 Cb 0.11 -0.93 0.28 0.00 1.34 0.00 0.00 72.50 73.30 1dtk s THR 47 CO 0.59 -0.37 1.89 -0.29 -0.54 0.00 0.00 174.62 175.90 1dtk h ILE 48 N 4.22 1.03 -0.24 2.99 6.09 -1.95 -2.53 117.51 127.12 1dtk h ILE 48 Ca -0.38 -0.35 -0.15 0.00 -1.37 0.00 0.00 64.86 62.61 1dtk h ILE 48 Cb 1.19 -0.08 -0.01 0.00 0.47 0.00 0.00 36.82 38.40 1dtk h ILE 48 CO 0.43 0.19 -0.46 1.05 -3.07 0.00 0.00 178.15 176.29 1dtk h GLU 49 N 1.02 0.62 -0.08 2.19 4.11 -1.97 0.23 114.58 120.69 1dtk h GLU 49 Ca 0.42 -0.34 -0.00 0.00 0.07 0.00 0.00 59.36 59.50 1dtk h GLU 49 Cb 0.28 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 1dtk h GLU 49 CO -0.17 0.95 0.04 1.49 0.07 0.00 0.00 179.01 181.38 1dtk h GLU 50 N 0.49 0.11 -0.08 1.06 4.57 -1.92 0.25 114.58 119.06 1dtk h GLU 50 Ca 0.03 -0.02 0.04 0.00 -1.18 0.00 0.00 59.36 58.23 1dtk h GLU 50 Cb 0.99 -0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 29.51 1dtk h GLU 50 CO 0.09 0.20 -0.19 0.00 -1.18 0.00 0.00 179.01 177.93 1dtk h ARG 52 N -0.26 0.55 -0.75 0.00 2.43 -0.35 -0.27 114.38 115.73 1dtk h ARG 52 Ca 0.08 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.17 1dtk h ARG 52 Cb 0.38 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.78 1dtk h ARG 52 CO -0.24 0.36 0.29 -0.09 -1.51 0.00 0.00 179.97 178.78 1dtk h ARG 53 N 0.57 1.13 0.02 0.20 9.65 -0.07 -2.55 114.38 123.33 1dtk h ARG 53 Ca 0.26 -0.21 -0.00 0.00 -1.10 0.00 0.00 59.98 58.93 1dtk h ARG 53 Cb 0.18 -0.18 0.00 0.00 -1.39 0.00 0.00 29.97 28.58 1dtk h ARG 53 CO -0.18 0.93 -0.01 1.15 2.80 0.00 0.00 179.97 184.66 1dtk h THR 54 N 1.09 1.42 0.00 0.20 2.02 -0.24 -3.43 112.91 113.97 1dtk h THR 54 Ca 0.25 -1.44 -0.22 0.00 0.77 0.00 0.00 66.41 65.77 1dtk h THR 54 Cb 0.23 2.37 -0.03 0.00 -1.74 0.00 0.00 68.15 68.98 1dtk h THR 54 CO -0.02 0.36 -1.62 0.00 0.37 0.00 0.00 175.52 174.61 1dtk s VAL 56 N -2.62 1.81 0.00 0.00 1.01 -0.96 -0.72 120.40 118.92 1dtk s VAL 56 Ca -0.32 0.00 0.00 0.00 0.00 0.00 0.00 61.98 61.66 1dtk s VAL 56 Cb 0.09 -2.65 0.00 0.00 0.00 0.00 0.00 36.38 33.82 1dtk s VAL 56 CO 0.45 0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.16