#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 1.83 0.03 0.00 0.00 -1.26 -4.87 121.76 117.48 1dtk s ALA 2 Ca 0.00 -1.82 -0.29 0.00 0.00 0.00 0.00 51.96 49.85 1dtk s ALA 2 Cb 0.00 1.07 -0.17 0.00 0.00 0.00 0.00 23.12 24.02 1dtk s ALA 2 CO 0.00 -0.47 1.31 0.87 0.00 0.00 0.00 175.76 177.47 1dtk h LYS 3 N 2.32 -0.82 -0.00 0.00 6.56 -2.04 -3.26 116.57 119.33 1dtk h LYS 3 Ca -0.37 0.06 0.00 0.00 -1.06 0.00 0.00 60.65 59.28 1dtk h LYS 3 Cb 1.25 0.19 -0.00 0.00 -0.57 0.00 0.00 32.23 33.10 1dtk h LYS 3 CO 0.58 -0.50 0.01 0.10 -2.06 0.00 0.00 179.45 177.58 1dtk h TYR 4 N -1.06 0.00 -0.67 -1.35 -0.00 -1.97 -1.19 116.97 110.73 1dtk h TYR 4 Ca -0.09 0.00 0.19 0.00 0.00 0.00 0.00 58.73 58.83 1dtk h TYR 4 Cb 0.70 0.00 -0.03 0.00 0.00 0.00 0.00 36.73 37.40 1dtk h TYR 4 CO -0.00 0.00 0.48 0.00 -0.00 0.00 0.00 178.16 178.64 1dtk h LYS 6 N 0.03 0.00 -6.89 0.00 1.57 -1.41 -3.36 116.57 106.51 1dtk h LYS 6 Ca 0.32 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.57 1dtk h LYS 6 Cb 1.25 0.00 0.08 0.00 0.08 0.00 0.00 32.23 33.64 1dtk h LYS 6 CO -0.01 0.19 0.72 -0.51 -0.57 0.00 0.00 179.45 179.27 1dtk s LEU 7 N -7.38 4.38 0.00 2.94 1.43 0.32 -4.62 118.68 115.74 1dtk s LEU 7 Ca -0.02 2.84 -0.03 0.00 -1.03 0.00 0.00 54.13 55.90 1dtk s LEU 7 Cb 0.13 -3.65 0.04 0.00 0.03 0.00 0.00 46.19 42.73 1dtk s LEU 7 CO 0.63 -0.71 0.19 -0.81 0.23 0.00 0.00 176.35 175.88 1dtk n PRO 8 N 0.88 -0.69 -1.56 1.29 -0.04 -1.26 -4.62 135.00 129.00 1dtk n PRO 8 Ca 0.01 -0.30 -0.18 0.00 -0.04 0.00 0.00 63.50 63.00 1dtk n PRO 8 Cb 0.40 -0.23 -0.06 0.00 -0.04 0.00 0.00 33.50 33.57 1dtk n PRO 8 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1dtk s LEU 9 N 0.00 2.96 -0.98 1.53 2.96 -1.26 -4.86 118.68 119.04 1dtk s LEU 9 Ca 0.11 0.26 -0.04 0.00 -0.22 0.00 0.00 54.13 54.25 1dtk s LEU 9 Cb -0.01 -2.54 0.25 0.00 0.50 0.00 0.00 46.19 44.40 1dtk s LEU 9 CO 0.08 -3.71 0.99 -1.14 -1.32 0.00 0.00 176.35 171.25 1dtk n ARG 10 N 8.86 3.19 -0.06 1.98 3.00 -1.26 -4.83 116.66 127.53 1dtk n ARG 10 Ca 0.45 -4.50 0.18 0.00 -0.00 0.00 0.00 57.85 53.98 1dtk n ARG 10 Cb 0.45 -2.46 0.62 0.00 0.00 0.00 0.00 32.46 31.07 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 3.76 0.76 0.00 5.15 2.04 -1.89 -3.41 117.51 123.93 1dtk h ILE 11 Ca 0.18 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.98 1dtk h ILE 11 Cb 0.79 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 37.45 1dtk h ILE 11 CO 0.98 0.03 0.00 0.61 0.00 0.00 0.00 178.15 179.77 1dtk n GLY 12 N -1.60 -0.13 0.22 5.37 0.00 -1.26 -1.47 105.19 106.32 1dtk n GLY 12 Ca 0.11 -1.81 0.09 0.00 0.00 0.00 0.00 46.02 44.41 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 -7.41 1.61 0.13 -1.94 -3.46 132.00 120.93 1dtk h PRO 13 Ca 0.00 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.64 1dtk h PRO 13 Cb 0.00 0.00 0.07 0.00 0.13 0.00 0.00 31.00 31.20 1dtk h PRO 13 CO 0.00 0.24 0.39 0.00 -0.23 0.00 0.00 178.00 178.40 1dtk n LYS 15 N -2.91 3.41 -4.17 0.00 4.01 -1.26 -4.66 118.16 112.58 1dtk n LYS 15 Ca 0.06 -4.54 -0.26 0.00 -0.51 0.00 0.00 58.31 53.06 1dtk n LYS 15 Cb 0.57 -2.26 -0.06 0.00 -0.51 0.00 0.00 35.03 32.76 1dtk n LYS 15 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 1dtk s ARG 16 N -3.60 2.22 -0.43 1.97 0.52 -1.26 -5.10 118.95 113.27 1dtk s ARG 16 Ca 0.48 -1.94 0.05 0.00 -0.52 0.00 0.00 55.73 53.80 1dtk s ARG 16 Cb 0.36 -1.94 0.19 0.00 0.52 0.00 0.00 34.95 34.08 1dtk s ARG 16 CO -0.19 -0.22 0.40 1.17 0.02 0.00 0.00 175.30 176.48 1dtk n LYS 17 N -1.32 0.49 -3.80 3.54 0.00 -1.24 -4.13 118.16 111.70 1dtk n LYS 17 Ca -0.03 -3.32 -0.37 0.00 0.00 0.00 0.00 58.31 54.59 1dtk n LYS 17 Cb 0.65 -1.63 -0.13 0.00 0.00 0.00 0.00 35.03 33.92 1dtk n LYS 17 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 1dtk s ILE 18 N -0.41 3.50 0.12 3.15 1.01 0.53 -4.90 121.20 124.19 1dtk s ILE 18 Ca 0.33 -1.26 -0.31 0.00 0.00 0.00 0.00 60.65 59.41 1dtk s ILE 18 Cb 0.07 -3.01 -0.10 0.00 0.01 0.00 0.00 42.46 39.43 1dtk s ILE 18 CO -0.17 -0.18 1.80 -2.16 0.00 0.00 0.00 174.94 174.23 1dtk s PRO 19 N 1.34 4.15 0.29 2.79 0.04 -1.26 -0.26 135.00 142.08 1dtk s PRO 19 Ca -0.02 2.56 0.07 0.00 0.04 0.00 0.00 61.00 63.64 1dtk s PRO 19 Cb -0.20 -3.59 -0.03 0.00 0.04 0.00 0.00 34.50 30.73 1dtk s PRO 19 CO 0.01 -0.83 0.25 0.43 0.04 0.00 0.00 177.00 176.91 1dtk n SER 20 N 5.64 -0.63 -4.27 6.66 7.64 -0.03 -4.87 113.62 123.75 1dtk n SER 20 Ca 0.17 -2.92 -0.27 0.00 1.01 0.00 0.00 58.87 56.86 1dtk n SER 20 Cb 0.38 1.48 -0.14 0.00 -1.01 0.00 0.00 64.21 64.92 1dtk n SER 20 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1dtk s PHE 21 N -3.19 1.96 0.16 1.43 0.40 0.41 -0.43 117.98 118.71 1dtk s PHE 21 Ca 0.35 -0.38 0.01 0.00 -0.60 0.00 0.00 56.93 56.31 1dtk s PHE 21 Cb 0.02 -1.17 -0.04 0.00 0.51 0.00 0.00 43.02 42.33 1dtk s PHE 21 CO 0.25 0.09 0.01 1.52 0.70 0.00 0.00 175.22 177.79 1dtk s TYR 22 N -0.78 1.11 -0.47 0.36 1.13 -0.23 -0.41 117.35 118.05 1dtk s TYR 22 Ca 0.09 -1.05 -0.20 0.00 -1.41 0.00 0.00 57.07 54.50 1dtk s TYR 22 Cb -0.09 -0.63 0.04 0.00 -1.10 0.00 0.00 41.96 40.17 1dtk s TYR 22 CO 0.02 -0.26 0.63 -0.47 -2.51 0.00 0.00 175.55 172.95 1dtk s TYR 23 N -3.73 3.06 -1.00 -3.49 6.14 -1.26 -0.52 117.35 116.55 1dtk s TYR 23 Ca 0.23 -0.27 -0.23 0.00 0.64 0.00 0.00 57.07 57.43 1dtk s TYR 23 Cb 0.06 -3.40 0.02 0.00 0.42 0.00 0.00 41.96 39.06 1dtk s TYR 23 CO 0.03 -0.94 1.61 0.21 0.64 0.00 0.00 175.55 177.10 1dtk s LYS 24 N 2.73 3.30 0.56 4.97 2.20 0.11 -4.74 119.74 128.87 1dtk s LYS 24 Ca 0.19 -0.93 0.28 0.00 -0.36 0.00 0.00 55.97 55.15 1dtk s LYS 24 Cb -0.16 -5.28 1.47 0.00 -1.51 0.00 0.00 37.83 32.35 1dtk s LYS 24 CO 0.16 -2.57 1.96 2.35 -0.36 0.00 0.00 175.35 176.89 1dtk h TRP 25 N 10.12 0.00 0.00 4.03 2.91 -1.79 0.43 115.95 131.66 1dtk h TRP 25 Ca 0.18 0.00 -0.02 0.00 1.13 0.00 0.00 58.89 60.18 1dtk h TRP 25 Cb 1.00 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 29.65 1dtk h TRP 25 CO 1.27 0.00 -0.09 -0.22 -1.03 0.00 0.00 178.44 178.36 1dtk h LYS 26 N 0.00 0.00 0.00 2.65 3.64 -1.88 -0.86 116.57 120.12 1dtk h LYS 26 Ca 0.24 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.62 1dtk h LYS 26 Cb 1.11 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.93 1dtk h LYS 26 CO -0.00 0.09 -1.37 0.00 -2.27 0.00 0.00 179.45 175.90 1dtk n ALA 27 N -2.50 3.82 -2.62 5.00 0.00 0.66 -5.00 120.51 119.87 1dtk n ALA 27 Ca -0.03 -0.54 -0.15 0.00 0.00 0.00 0.00 53.44 52.73 1dtk n ALA 27 Cb 0.17 -0.80 0.02 0.00 0.00 0.00 0.00 19.45 18.84 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 -1.86 -2.64 -3.94 0.00 4.76 0.12 -5.02 118.16 109.58 1dtk n LYS 28 Ca 0.01 0.62 -0.09 0.00 -2.87 0.00 0.00 58.31 55.98 1dtk n LYS 28 Cb 0.44 -4.86 -0.05 0.00 -1.84 0.00 0.00 35.03 28.71 1dtk n LYS 28 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 1dtk s GLN 29 N -5.13 1.48 0.09 1.97 0.74 -1.07 -4.95 119.66 112.79 1dtk s GLN 29 Ca 0.14 -1.15 -0.26 0.00 0.05 0.00 0.00 55.36 54.14 1dtk s GLN 29 Cb -0.06 0.48 -0.06 0.00 1.10 0.00 0.00 33.01 34.46 1dtk s GLN 29 CO 0.18 -0.61 0.80 0.00 -0.55 0.00 0.00 175.29 175.11 1dtk s LEU 31 N -0.31 1.79 0.73 0.00 1.43 0.32 -4.90 118.68 117.75 1dtk s LEU 31 Ca 0.39 -0.26 -0.12 0.00 -1.03 0.00 0.00 54.13 53.12 1dtk s LEU 31 Cb -0.22 0.45 0.03 0.00 0.03 0.00 0.00 46.19 46.48 1dtk s LEU 31 CO 0.25 -0.31 1.09 -2.16 0.23 0.00 0.00 176.35 175.45 1dtk s PRO 32 N -1.24 2.52 0.22 1.29 0.04 -1.26 -1.07 135.00 135.50 1dtk s PRO 32 Ca -0.13 1.16 -0.21 0.00 0.04 0.00 0.00 61.00 61.86 1dtk s PRO 32 Cb -0.08 -1.93 0.07 0.00 0.04 0.00 0.00 34.50 32.61 1dtk s PRO 32 CO 0.01 -1.44 0.99 -0.59 0.04 0.00 0.00 177.00 176.01 1dtk s PHE 33 N -2.82 0.06 -0.24 0.56 -0.71 0.43 -4.84 117.98 110.42 1dtk s PHE 33 Ca 0.62 -0.51 -0.08 0.00 -1.04 0.00 0.00 56.93 55.91 1dtk s PHE 33 Cb -0.17 0.72 -0.04 0.00 -1.21 0.00 0.00 43.02 42.32 1dtk s PHE 33 CO 0.53 -1.03 0.10 -0.51 -1.34 0.00 0.00 175.22 172.97 1dtk s ASP 34 N -3.32 5.56 0.13 1.98 1.01 -1.26 -0.86 116.67 119.91 1dtk s ASP 34 Ca 0.20 -0.06 -0.02 0.00 0.71 0.00 0.00 52.55 53.38 1dtk s ASP 34 Cb -0.03 -2.00 -0.05 0.00 1.01 0.00 0.00 42.92 41.86 1dtk s ASP 34 CO 0.06 0.02 0.32 -0.47 0.21 0.00 0.00 175.17 175.31 1dtk s TYR 35 N 1.29 3.49 0.02 4.23 5.04 0.64 -4.67 117.35 127.38 1dtk s TYR 35 Ca 0.06 0.39 0.10 0.00 -2.44 0.00 0.00 57.07 55.18 1dtk s TYR 35 Cb -0.15 -1.87 -0.22 0.00 0.35 0.00 0.00 41.96 40.07 1dtk s TYR 35 CO 0.05 0.48 0.89 0.66 -1.34 0.00 0.00 175.55 176.29 1dtk h SER 36 N 2.72 0.00 0.00 4.32 4.64 -1.41 0.15 113.55 123.97 1dtk h SER 36 Ca -0.46 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1dtk h SER 36 Cb 1.17 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1dtk h SER 36 CO 0.73 1.01 0.00 0.61 -0.87 0.00 0.00 176.83 178.30 1dtk n GLY 37 N 1.48 3.01 0.00 -0.77 0.00 -1.26 -4.39 105.19 103.26 1dtk n GLY 37 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 5.00 -2.12 7.00 0.00 0.00 -1.26 -4.84 105.19 108.97 1dtk n GLY 39 Ca 0.00 0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.46 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 -1.02 1.78 0.00 -0.02 0.00 -1.26 -4.95 105.19 99.72 1dtk n GLY 40 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.48 0.00 0.02 1.61 0.23 -1.26 -4.83 115.26 109.55 1dtk n ASN 41 Ca 0.00 0.00 0.12 0.00 -0.53 0.00 0.00 54.58 54.17 1dtk n ASN 41 Cb 0.00 0.00 0.14 0.00 -2.08 0.00 0.00 39.78 37.84 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 -3.00 3.52 -1.54 -2.53 0.00 -1.26 -4.61 120.51 111.09 1dtk n ALA 42 Ca 0.00 -0.37 -0.41 0.00 0.00 0.00 0.00 53.44 52.66 1dtk n ALA 42 Cb 0.00 -1.05 -0.01 0.00 0.00 0.00 0.00 19.45 18.38 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 -1.73 6.13 -3.68 0.00 2.85 -1.26 -4.84 115.26 112.73 1dtk n ASN 43 Ca 0.04 -2.72 -0.10 0.00 -0.11 0.00 0.00 54.58 51.69 1dtk n ASN 43 Cb 0.38 -1.61 -0.09 0.00 1.24 0.00 0.00 39.78 39.69 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 2.70 0.52 0.02 1.20 3.52 -1.26 -4.34 118.95 121.31 1dtk s ARG 44 Ca 0.57 0.92 0.01 0.00 -0.13 0.00 0.00 55.73 57.10 1dtk s ARG 44 Cb 0.16 0.08 -0.02 0.00 -1.56 0.00 0.00 34.95 33.61 1dtk s ARG 44 CO -0.08 -0.14 -0.04 -0.06 -0.81 0.00 0.00 175.30 174.17 1dtk s PHE 45 N 1.30 0.34 -0.23 5.12 0.08 0.45 -4.98 117.98 120.06 1dtk s PHE 45 Ca -0.08 -0.42 0.17 0.00 0.12 0.00 0.00 56.93 56.72 1dtk s PHE 45 Cb -0.07 -0.22 0.11 0.00 -0.57 0.00 0.00 43.02 42.27 1dtk s PHE 45 CO -0.13 -0.12 1.42 0.87 -0.10 0.00 0.00 175.22 177.16 1dtk h LYS 46 N 4.91 0.00 -6.46 0.44 1.57 -1.93 0.12 116.57 115.22 1dtk h LYS 46 Ca -0.32 0.00 -0.63 0.00 -1.87 0.00 0.00 60.65 57.84 1dtk h LYS 46 Cb 1.21 0.00 -0.19 0.00 0.08 0.00 0.00 32.23 33.33 1dtk h LYS 46 CO 0.43 0.35 -0.82 0.95 -0.57 0.00 0.00 179.45 179.79 1dtk s THR 47 N -3.03 2.21 0.29 -0.16 -4.23 -1.26 -4.71 115.64 104.75 1dtk s THR 47 Ca 0.04 -1.98 0.02 0.00 -1.18 0.00 0.00 61.69 58.59 1dtk s THR 47 Cb 0.07 -2.04 0.10 0.00 1.34 0.00 0.00 72.50 71.97 1dtk s THR 47 CO 0.73 -0.15 1.76 -0.29 -0.54 0.00 0.00 174.62 176.14 1dtk h ILE 48 N 3.27 1.24 -0.38 2.99 6.09 -1.96 -3.09 117.51 125.69 1dtk h ILE 48 Ca -0.46 -1.09 -0.13 0.00 -1.37 0.00 0.00 64.86 61.81 1dtk h ILE 48 Cb 1.21 1.14 -0.01 0.00 0.47 0.00 0.00 36.82 39.63 1dtk h ILE 48 CO 0.48 0.36 -0.31 1.05 -3.07 0.00 0.00 178.15 176.66 1dtk h GLU 49 N 0.52 0.82 -0.09 2.19 4.11 -1.98 0.19 114.58 120.34 1dtk h GLU 49 Ca 0.09 -0.38 0.02 0.00 0.07 0.00 0.00 59.36 59.16 1dtk h GLU 49 Cb 0.54 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 1dtk h GLU 49 CO 0.03 1.01 -0.00 0.93 0.07 0.00 0.00 179.01 181.05 1dtk h GLU 50 N 0.69 0.03 0.29 1.06 5.08 -1.98 0.20 114.58 119.96 1dtk h GLU 50 Ca 0.08 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1dtk h GLU 50 Cb 0.85 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.08 1dtk h GLU 50 CO 0.07 0.02 -0.24 0.00 -1.00 0.00 0.00 179.01 177.86 1dtk h ARG 52 N -0.54 0.22 -0.34 0.00 2.43 -0.50 -1.15 114.38 114.50 1dtk h ARG 52 Ca -0.02 -0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.05 1dtk h ARG 52 Cb 0.48 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.96 1dtk h ARG 52 CO -0.02 0.14 -0.16 -0.09 -1.51 0.00 0.00 179.97 178.34 1dtk h ARG 53 N 0.23 0.60 -0.07 0.20 9.65 -0.32 0.51 114.38 125.17 1dtk h ARG 53 Ca 0.17 -0.20 -0.00 0.00 -1.10 0.00 0.00 59.98 58.85 1dtk h ARG 53 Cb 0.18 -0.05 -0.00 0.00 -1.39 0.00 0.00 29.97 28.71 1dtk h ARG 53 CO -0.21 0.74 0.03 1.15 2.80 0.00 0.00 179.97 184.48 1dtk h THR 54 N 0.55 1.13 0.00 0.20 2.02 0.02 -3.40 112.91 113.42 1dtk h THR 54 Ca 0.09 -0.37 -0.22 0.00 0.77 0.00 0.00 66.41 66.68 1dtk h THR 54 Cb 0.58 1.24 -0.03 0.00 -1.74 0.00 0.00 68.15 68.20 1dtk h THR 54 CO 0.04 0.11 -1.56 0.00 0.37 0.00 0.00 175.52 174.48 1dtk n VAL 56 N -4.40 0.00 1.37 0.00 0.31 0.18 -0.20 118.33 115.59 1dtk n VAL 56 Ca -0.32 0.00 0.13 0.00 -0.01 0.00 0.00 64.34 64.14 1dtk n VAL 56 Cb 0.65 -1.85 0.41 0.00 -0.91 0.00 0.00 33.84 32.14 1dtk n VAL 56 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12