#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 3.31 -0.02 0.00 0.00 -1.26 -4.96 121.76 118.83 1dtk s ALA 2 Ca 0.00 -1.52 -0.23 0.00 0.00 0.00 0.00 51.96 50.21 1dtk s ALA 2 Cb 0.00 -0.99 -0.16 0.00 0.00 0.00 0.00 23.12 21.96 1dtk s ALA 2 CO 0.00 0.31 1.09 0.87 0.00 0.00 0.00 175.76 178.02 1dtk h LYS 3 N 1.92 -0.30 0.00 0.00 6.56 -1.99 -2.78 116.57 119.98 1dtk h LYS 3 Ca -0.46 0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.15 1dtk h LYS 3 Cb 1.24 0.07 0.00 0.00 -0.57 0.00 0.00 32.23 32.96 1dtk h LYS 3 CO 0.60 0.07 0.05 0.10 -2.06 0.00 0.00 179.45 178.21 1dtk h TYR 4 N -0.78 0.00 -0.14 -1.35 -0.00 -1.97 -0.91 116.97 111.82 1dtk h TYR 4 Ca -0.03 0.00 0.04 0.00 0.00 0.00 0.00 58.73 58.74 1dtk h TYR 4 Cb 0.51 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.23 1dtk h TYR 4 CO 0.05 0.00 0.12 0.00 -0.00 0.00 0.00 178.16 178.33 1dtk n LYS 6 N -4.17 0.29 -2.61 0.00 5.02 -0.35 -3.81 118.16 112.52 1dtk n LYS 6 Ca 0.00 0.11 -0.42 0.00 -2.02 0.00 0.00 58.31 55.98 1dtk n LYS 6 Cb 0.24 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.71 1dtk n LYS 6 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1dtk s LEU 7 N -2.51 4.39 0.00 -0.35 1.43 0.39 -4.75 118.68 117.29 1dtk s LEU 7 Ca 0.18 1.80 -0.16 0.00 -1.03 0.00 0.00 54.13 54.92 1dtk s LEU 7 Cb 0.12 -3.58 0.23 0.00 0.03 0.00 0.00 46.19 42.99 1dtk s LEU 7 CO 0.26 -0.31 0.91 -0.81 0.23 0.00 0.00 176.35 176.63 1dtk n PRO 8 N 3.75 -2.33 -1.58 1.29 -0.04 -1.26 -4.51 135.00 130.31 1dtk n PRO 8 Ca 0.06 -1.44 -0.43 0.00 -0.04 0.00 0.00 63.50 61.66 1dtk n PRO 8 Cb 0.49 -1.25 -0.03 0.00 -0.04 0.00 0.00 33.50 32.67 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 3.09 -3.89 1.53 7.94 -1.26 -4.92 117.00 119.50 1dtk n LEU 9 Ca 0.12 0.14 -0.29 0.00 -1.11 0.00 0.00 56.01 54.87 1dtk n LEU 9 Cb 0.46 -1.54 -0.13 0.00 0.53 0.00 0.00 43.42 42.74 1dtk n LEU 9 CO 0.32 -0.78 -0.15 -0.60 -1.11 0.00 0.00 177.39 175.07 1dtk s ARG 10 N 6.55 1.98 0.06 1.96 6.06 -1.26 -4.94 118.95 129.37 1dtk s ARG 10 Ca 1.01 -2.72 -0.18 0.00 -2.50 0.00 0.00 55.73 51.34 1dtk s ARG 10 Cb -0.36 -3.15 -0.12 0.00 0.06 0.00 0.00 34.95 31.38 1dtk s ARG 10 CO 0.35 -1.17 1.37 0.82 -2.50 0.00 0.00 175.30 174.17 1dtk h ILE 11 N 5.14 1.33 0.00 4.11 5.03 -1.87 -3.43 117.51 127.82 1dtk h ILE 11 Ca 0.00 -1.38 0.00 0.00 -0.12 0.00 0.00 64.86 63.36 1dtk h ILE 11 Cb 0.86 1.77 0.00 0.00 -3.03 0.00 0.00 36.82 36.41 1dtk h ILE 11 CO 0.66 0.42 0.00 0.61 -0.68 0.00 0.00 178.15 179.16 1dtk n GLY 12 N 0.20 3.38 0.00 5.37 0.00 -1.25 -1.61 105.19 111.28 1dtk n GLY 12 Ca -0.05 -1.93 0.15 0.00 0.00 0.00 0.00 46.02 44.20 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 -1.11 0.69 -1.53 1.61 -0.04 -1.25 -4.86 135.00 128.51 1dtk n PRO 13 Ca 0.00 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.17 1dtk n PRO 13 Cb 0.00 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.13 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 -3.96 2.87 -3.94 0.00 5.02 -1.26 -4.88 118.16 112.01 1dtk n LYS 15 Ca 0.10 -4.25 -0.24 0.00 -2.02 0.00 0.00 58.31 51.89 1dtk n LYS 15 Cb 0.59 -2.03 -0.05 0.00 -0.02 0.00 0.00 35.03 33.53 1dtk n LYS 15 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1dtk s ARG 16 N -3.42 2.32 -0.23 1.97 1.81 -1.26 -5.10 118.95 115.04 1dtk s ARG 16 Ca 0.44 -1.82 -0.03 0.00 -1.72 0.00 0.00 55.73 52.59 1dtk s ARG 16 Cb 0.40 -2.10 0.10 0.00 -0.45 0.00 0.00 34.95 32.90 1dtk s ARG 16 CO -0.13 -0.26 0.22 0.15 -0.68 0.00 0.00 175.30 174.59 1dtk s LYS 17 N -4.05 0.22 -0.08 3.54 3.01 -1.22 -4.22 119.74 116.93 1dtk s LYS 17 Ca 0.40 0.02 -0.01 0.00 -1.01 0.00 0.00 55.97 55.37 1dtk s LYS 17 Cb 0.00 -1.11 0.03 0.00 -1.01 0.00 0.00 37.83 35.75 1dtk s LYS 17 CO 0.23 -0.79 -0.01 0.42 0.51 0.00 0.00 175.35 175.71 1dtk s ILE 18 N 2.30 0.46 0.03 2.17 1.01 0.94 -4.92 121.20 123.19 1dtk s ILE 18 Ca 0.07 0.05 -0.30 0.00 0.00 0.00 0.00 60.65 60.47 1dtk s ILE 18 Cb -0.15 -0.61 -0.08 0.00 0.01 0.00 0.00 42.46 41.62 1dtk s ILE 18 CO -0.20 0.26 1.81 -2.16 0.00 0.00 0.00 174.94 174.65 1dtk s PRO 19 N 1.94 4.16 0.30 2.79 0.04 -1.26 -0.27 135.00 142.70 1dtk s PRO 19 Ca 0.05 2.45 -0.03 0.00 0.04 0.00 0.00 61.00 63.51 1dtk s PRO 19 Cb -0.12 -3.95 -0.01 0.00 0.04 0.00 0.00 34.50 30.46 1dtk s PRO 19 CO -0.06 -0.87 0.38 -1.12 0.04 0.00 0.00 177.00 175.37 1dtk s SER 20 N 3.57 0.68 -0.02 6.66 0.01 -0.12 -4.88 113.70 119.61 1dtk s SER 20 Ca 0.81 -1.40 0.02 0.00 1.31 0.00 0.00 55.95 56.70 1dtk s SER 20 Cb -0.40 0.58 0.00 0.00 0.21 0.00 0.00 66.02 66.41 1dtk s SER 20 CO 0.36 -1.15 -0.08 -0.36 0.41 0.00 0.00 173.24 172.42 1dtk s PHE 21 N -3.50 0.82 0.07 2.43 0.40 0.71 -0.70 117.98 118.21 1dtk s PHE 21 Ca 0.32 -0.18 0.01 0.00 -0.60 0.00 0.00 56.93 56.48 1dtk s PHE 21 Cb 0.01 -0.57 -0.04 0.00 0.51 0.00 0.00 43.02 42.93 1dtk s PHE 21 CO 0.18 -0.07 -0.05 1.52 0.70 0.00 0.00 175.22 177.49 1dtk s TYR 22 N 0.08 0.71 -0.44 0.36 1.13 -1.00 -0.09 117.35 118.11 1dtk s TYR 22 Ca -0.01 -0.87 -0.23 0.00 -1.41 0.00 0.00 57.07 54.55 1dtk s TYR 22 Cb -0.07 -0.44 0.02 0.00 -1.10 0.00 0.00 41.96 40.38 1dtk s TYR 22 CO 0.00 -0.21 0.75 -0.47 -2.51 0.00 0.00 175.55 173.12 1dtk s TYR 23 N -3.23 3.02 -1.06 -3.49 5.04 -1.26 -0.73 117.35 115.65 1dtk s TYR 23 Ca 0.05 0.18 -0.22 0.00 -2.44 0.00 0.00 57.07 54.64 1dtk s TYR 23 Cb 0.03 -3.56 0.05 0.00 0.35 0.00 0.00 41.96 38.82 1dtk s TYR 23 CO -0.05 -0.93 1.52 0.21 -1.34 0.00 0.00 175.55 174.96 1dtk s LYS 24 N 3.17 3.60 0.58 4.97 2.20 0.37 -4.64 119.74 129.99 1dtk s LYS 24 Ca 0.29 -1.21 0.28 0.00 -0.36 0.00 0.00 55.97 54.96 1dtk s LYS 24 Cb -0.13 -5.37 1.55 0.00 -1.51 0.00 0.00 37.83 32.37 1dtk s LYS 24 CO 0.21 -2.28 2.01 2.35 -0.36 0.00 0.00 175.35 177.28 1dtk h TRP 25 N 9.54 0.00 -0.46 4.03 2.91 -1.79 0.41 115.95 130.59 1dtk h TRP 25 Ca 0.23 0.00 0.10 0.00 1.13 0.00 0.00 58.89 60.35 1dtk h TRP 25 Cb 0.99 0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 29.62 1dtk h TRP 25 CO 1.30 0.00 0.32 -0.22 -1.03 0.00 0.00 178.44 178.81 1dtk h LYS 26 N 0.00 0.18 0.00 2.65 1.63 -1.89 -3.15 116.57 115.99 1dtk h LYS 26 Ca 0.16 -0.01 -0.24 0.00 -0.85 0.00 0.00 60.65 59.71 1dtk h LYS 26 Cb 0.81 -0.04 -0.04 0.00 -0.60 0.00 0.00 32.23 32.36 1dtk h LYS 26 CO -0.00 0.12 -1.89 0.00 -3.45 0.00 0.00 179.45 174.23 1dtk n ALA 27 N -2.57 1.68 -1.56 5.00 0.00 0.52 -5.05 120.51 118.53 1dtk n ALA 27 Ca 0.07 -0.80 0.00 0.00 0.00 0.00 0.00 53.44 52.71 1dtk n ALA 27 Cb 0.40 0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.87 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 -2.61 0.00 -3.63 0.00 5.02 0.12 -5.09 118.16 111.97 1dtk n LYS 28 Ca -0.23 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 55.97 1dtk n LYS 28 Cb 0.88 -1.86 -0.02 0.00 -0.02 0.00 0.00 35.03 34.01 1dtk n LYS 28 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1dtk s GLN 29 N -2.91 1.37 0.01 1.97 -0.21 -1.20 -5.00 119.66 113.70 1dtk s GLN 29 Ca 0.00 -0.65 -0.25 0.00 0.02 0.00 0.00 55.36 54.49 1dtk s GLN 29 Cb 0.00 0.54 -0.05 0.00 1.00 0.00 0.00 33.01 34.50 1dtk s GLN 29 CO 0.00 -0.62 0.75 0.00 -2.12 0.00 0.00 175.29 173.30 1dtk s LEU 31 N 0.18 1.66 0.58 0.00 1.43 0.09 -4.93 118.68 117.69 1dtk s LEU 31 Ca 0.38 -0.21 -0.18 0.00 -1.03 0.00 0.00 54.13 53.10 1dtk s LEU 31 Cb -0.20 -0.61 -0.04 0.00 0.03 0.00 0.00 46.19 45.38 1dtk s LEU 31 CO 0.22 0.03 1.11 -2.16 0.23 0.00 0.00 176.35 175.78 1dtk s PRO 32 N 0.46 3.20 0.20 1.29 0.04 -1.26 -2.37 135.00 136.56 1dtk s PRO 32 Ca -0.08 1.48 -0.20 0.00 0.04 0.00 0.00 61.00 62.25 1dtk s PRO 32 Cb -0.12 -2.00 0.07 0.00 0.04 0.00 0.00 34.50 32.50 1dtk s PRO 32 CO 0.01 -0.95 0.95 1.97 0.04 0.00 0.00 177.00 179.02 1dtk n PHE 33 N -1.71 -1.46 -3.79 0.56 -1.74 0.12 -4.96 117.46 104.49 1dtk n PHE 33 Ca 0.11 -1.29 -0.37 0.00 -0.56 0.00 0.00 57.45 55.34 1dtk n PHE 33 Cb 0.52 0.63 -0.13 0.00 1.52 0.00 0.00 39.48 42.02 1dtk n PHE 33 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 1dtk s ASP 34 N -3.27 5.11 0.53 5.98 1.11 -1.26 -0.94 116.67 123.93 1dtk s ASP 34 Ca 0.21 -1.00 -0.16 0.00 0.18 0.00 0.00 52.55 51.77 1dtk s ASP 34 Cb -0.03 -1.83 -0.07 0.00 1.07 0.00 0.00 42.92 42.06 1dtk s ASP 34 CO 0.06 -0.26 1.00 -0.47 1.18 0.00 0.00 175.17 176.68 1dtk s TYR 35 N 1.41 3.38 0.00 4.23 5.04 0.63 -4.70 117.35 127.33 1dtk s TYR 35 Ca -0.01 1.47 0.00 0.00 -2.44 0.00 0.00 57.07 56.09 1dtk s TYR 35 Cb -0.19 -2.83 0.00 0.00 0.35 0.00 0.00 41.96 39.30 1dtk s TYR 35 CO 0.02 -0.51 0.00 -1.13 -1.34 0.00 0.00 175.55 172.59 1dtk n SER 36 N -1.70 0.00 0.00 4.32 3.41 -0.63 -0.04 113.62 118.98 1dtk n SER 36 Ca 0.07 0.41 0.00 0.00 -0.26 0.00 0.00 58.87 59.08 1dtk n SER 36 Cb 0.54 -0.42 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 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 2.06 0.69 3.01 5.00 0.00 -1.26 -4.41 105.19 110.28 1dtk n GLY 37 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 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 2.20 -0.45 0.00 0.00 0.00 -1.26 -3.95 105.19 101.74 1dtk n GLY 39 Ca -0.18 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.64 1.41 2.04 -0.02 0.00 -1.26 -3.84 105.19 101.88 1dtk n GLY 40 Ca -0.11 -1.79 -0.06 0.00 0.00 0.00 0.00 46.02 44.06 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 -1.15 -1.13 1.61 0.23 -1.26 -5.04 115.26 108.52 1dtk n ASN 41 Ca 0.00 -1.93 -0.02 0.00 -0.53 0.00 0.00 54.58 52.10 1dtk n ASN 41 Cb 0.00 1.95 0.10 0.00 -2.08 0.00 0.00 39.78 39.75 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 -1.66 3.17 -3.19 -2.53 0.00 -1.26 -4.31 120.51 110.73 1dtk n ALA 42 Ca -0.09 -0.74 -0.31 0.00 0.00 0.00 0.00 53.44 52.30 1dtk n ALA 42 Cb 0.33 -1.08 -0.05 0.00 0.00 0.00 0.00 19.45 18.65 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 0.11 4.66 -3.80 0.00 5.15 -1.26 -4.83 115.26 115.28 1dtk n ASN 43 Ca 0.13 -3.51 -0.13 0.00 -0.60 0.00 0.00 54.58 50.47 1dtk n ASN 43 Cb 0.69 -0.79 -0.14 0.00 -0.53 0.00 0.00 39.78 39.01 1dtk n ASN 43 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 1dtk s ARG 44 N -2.88 0.12 -0.01 1.20 3.52 -1.26 -4.39 118.95 115.24 1dtk s ARG 44 Ca 0.40 0.24 -0.03 0.00 -0.13 0.00 0.00 55.73 56.21 1dtk s ARG 44 Cb 0.16 -0.03 -0.00 0.00 -1.56 0.00 0.00 34.95 33.52 1dtk s ARG 44 CO -0.02 -0.07 0.06 -0.06 -0.81 0.00 0.00 175.30 174.39 1dtk s PHE 45 N 0.49 0.03 -0.87 5.12 0.08 0.88 -4.96 117.98 118.74 1dtk s PHE 45 Ca -0.04 -0.04 0.26 0.00 0.12 0.00 0.00 56.93 57.23 1dtk s PHE 45 Cb -0.05 -0.04 0.75 0.00 -0.57 0.00 0.00 43.02 43.11 1dtk s PHE 45 CO -0.02 -0.12 1.61 1.63 -0.10 0.00 0.00 175.22 178.22 1dtk n LYS 46 N 2.40 0.11 -4.05 0.44 4.76 -1.26 -0.21 118.16 120.35 1dtk n LYS 46 Ca -0.17 0.06 -0.11 0.00 -2.87 0.00 0.00 58.31 55.21 1dtk n LYS 46 Cb 0.58 -1.59 -0.11 0.00 -1.84 0.00 0.00 35.03 32.06 1dtk n LYS 46 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1dtk s THR 47 N -3.05 0.40 0.39 -0.18 -4.23 -1.26 -4.86 115.64 102.84 1dtk s THR 47 Ca 0.11 -1.15 0.09 0.00 -1.18 0.00 0.00 61.69 59.55 1dtk s THR 47 Cb 0.16 -0.65 0.18 0.00 1.34 0.00 0.00 72.50 73.53 1dtk s THR 47 CO 0.63 -0.50 1.94 -0.29 -0.54 0.00 0.00 174.62 175.86 1dtk h ILE 48 N 4.32 1.16 -0.36 2.99 6.09 -1.96 -2.93 117.51 126.83 1dtk h ILE 48 Ca -0.34 -0.65 -0.12 0.00 -1.37 0.00 0.00 64.86 62.37 1dtk h ILE 48 Cb 1.20 1.05 -0.01 0.00 0.47 0.00 0.00 36.82 39.53 1dtk h ILE 48 CO 0.44 0.21 -0.26 -0.08 -3.07 0.00 0.00 178.15 175.40 1dtk h GLU 49 N 0.31 0.81 -0.12 2.19 4.81 -1.97 0.22 114.58 120.83 1dtk h GLU 49 Ca 0.07 -0.39 0.01 0.00 -0.13 0.00 0.00 59.36 58.91 1dtk h GLU 49 Cb 0.28 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 1dtk h GLU 49 CO 0.01 1.02 0.06 1.49 -0.73 0.00 0.00 179.01 180.86 1dtk h GLU 50 N 0.60 0.12 0.33 1.92 4.81 -1.95 0.37 114.58 120.78 1dtk h GLU 50 Ca 0.07 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.29 1dtk h GLU 50 Cb 0.83 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.17 1dtk h GLU 50 CO 0.07 0.08 -0.26 0.00 -0.73 0.00 0.00 179.01 178.17 1dtk h ARG 52 N -0.60 1.04 -0.43 0.00 2.43 -0.36 -0.04 114.38 116.42 1dtk h ARG 52 Ca -0.02 -0.13 -0.11 0.00 -0.81 0.00 0.00 59.98 58.91 1dtk h ARG 52 Cb 0.53 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.86 1dtk h ARG 52 CO -0.02 0.79 -0.16 -0.09 -1.51 0.00 0.00 179.97 178.98 1dtk h ARG 53 N 1.05 0.81 0.13 0.20 9.65 -0.07 0.50 114.38 126.66 1dtk h ARG 53 Ca 0.26 -0.30 -0.01 0.00 -1.10 0.00 0.00 59.98 58.83 1dtk h ARG 53 Cb 0.06 -0.05 0.00 0.00 -1.39 0.00 0.00 29.97 28.59 1dtk h ARG 53 CO -0.04 0.92 -0.06 1.15 2.80 0.00 0.00 179.97 184.74 1dtk h THR 54 N 0.72 1.01 0.00 0.20 2.02 -0.11 -3.40 112.91 113.36 1dtk h THR 54 Ca 0.11 -0.67 -0.02 0.00 0.77 0.00 0.00 66.41 66.60 1dtk h THR 54 Cb 0.67 1.43 -0.00 0.00 -1.74 0.00 0.00 68.15 68.51 1dtk h THR 54 CO 0.05 0.16 -0.35 0.00 0.37 0.00 0.00 175.52 175.74 1dtk n VAL 56 N -4.66 0.00 1.83 0.00 0.31 0.17 -3.73 118.33 112.25 1dtk n VAL 56 Ca -0.07 -0.69 0.15 0.00 -0.01 0.00 0.00 64.34 63.72 1dtk n VAL 56 Cb 0.21 -1.60 0.81 0.00 -0.91 0.00 0.00 33.84 32.35 1dtk n VAL 56 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12