#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 2.18 -0.03 0.00 0.00 -1.26 -4.95 121.76 117.69 1dtk s ALA 2 Ca 0.00 -0.39 -0.22 0.00 0.00 0.00 0.00 51.96 51.35 1dtk s ALA 2 Cb 0.00 -3.05 -0.23 0.00 0.00 0.00 0.00 23.12 19.83 1dtk s ALA 2 CO 0.00 -1.88 1.06 0.87 0.00 0.00 0.00 175.76 175.81 1dtk h LYS 3 N -1.20 0.27 -0.02 0.00 6.56 -2.02 -2.12 116.57 118.04 1dtk h LYS 3 Ca -0.48 -0.29 0.01 0.00 -1.06 0.00 0.00 60.65 58.83 1dtk h LYS 3 Cb 1.30 0.08 -0.00 0.00 -0.57 0.00 0.00 32.23 33.04 1dtk h LYS 3 CO 0.61 1.00 0.18 0.10 -2.06 0.00 0.00 179.45 179.28 1dtk h TYR 4 N -0.33 0.00 0.00 -1.35 -0.00 -1.94 0.27 116.97 113.62 1dtk h TYR 4 Ca -0.05 0.00 -0.00 0.00 0.00 0.00 0.00 58.73 58.68 1dtk h TYR 4 Cb 1.13 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.86 1dtk h TYR 4 CO 0.17 0.00 -0.02 0.00 -0.00 0.00 0.00 178.16 178.31 1dtk h LYS 6 N 0.00 0.00 -6.84 0.00 6.56 -1.06 -3.34 116.57 111.89 1dtk h LYS 6 Ca -0.00 0.00 -0.53 0.00 -1.06 0.00 0.00 60.65 59.06 1dtk h LYS 6 Cb 0.05 0.00 0.07 0.00 -0.57 0.00 0.00 32.23 31.78 1dtk h LYS 6 CO 0.00 0.39 0.71 -0.51 -2.06 0.00 0.00 179.45 177.98 1dtk s LEU 7 N -7.87 4.39 0.00 2.94 1.43 0.58 -4.54 118.68 115.61 1dtk s LEU 7 Ca -0.02 2.74 0.00 0.00 -1.03 0.00 0.00 54.13 55.82 1dtk s LEU 7 Cb 0.14 -3.64 0.00 0.00 0.03 0.00 0.00 46.19 42.71 1dtk s LEU 7 CO 0.71 -0.66 0.00 -0.81 0.23 0.00 0.00 176.35 175.83 1dtk n PRO 8 N 1.35 0.04 -1.68 1.29 -0.04 -1.26 -4.53 135.00 130.17 1dtk n PRO 8 Ca 0.03 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.14 1dtk n PRO 8 Cb 0.41 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.83 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 3.34 -0.82 1.53 2.96 -1.26 -4.89 118.68 119.54 1dtk s LEU 9 Ca 0.00 0.81 -0.05 0.00 -0.22 0.00 0.00 54.13 54.67 1dtk s LEU 9 Cb 0.00 -2.51 0.21 0.00 0.50 0.00 0.00 46.19 44.39 1dtk s LEU 9 CO 0.00 -2.84 0.71 -0.60 -1.32 0.00 0.00 176.35 172.30 1dtk s ARG 10 N 8.02 3.20 0.01 1.98 6.06 -1.26 -4.89 118.95 132.07 1dtk s ARG 10 Ca 0.90 -2.91 -0.25 0.00 -2.50 0.00 0.00 55.73 50.97 1dtk s ARG 10 Cb -0.15 -4.02 -0.18 0.00 0.06 0.00 0.00 34.95 30.65 1dtk s ARG 10 CO 0.23 -1.24 1.34 0.82 -2.50 0.00 0.00 175.30 173.95 1dtk h ILE 11 N 4.51 1.12 0.00 4.11 2.04 -1.88 -3.42 117.51 123.99 1dtk h ILE 11 Ca 0.10 -0.79 0.00 0.00 1.00 0.00 0.00 64.86 65.17 1dtk h ILE 11 Cb 0.90 1.62 0.00 0.00 -0.74 0.00 0.00 36.82 38.60 1dtk h ILE 11 CO 0.81 0.19 0.00 0.61 0.00 0.00 0.00 178.15 179.76 1dtk n GLY 12 N -0.15 2.61 1.89 5.37 0.00 -1.26 -0.45 105.19 113.20 1dtk n GLY 12 Ca -0.08 -1.73 -0.11 0.00 0.00 0.00 0.00 46.02 44.09 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 0.97 1.69 -3.94 1.61 -0.04 -1.24 -4.65 135.00 129.40 1dtk n PRO 13 Ca 0.00 -1.00 -0.22 0.00 -0.04 0.00 0.00 63.50 62.24 1dtk n PRO 13 Cb 0.00 -1.61 -0.05 0.00 -0.04 0.00 0.00 33.50 31.79 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 -1.28 3.11 -4.43 0.00 2.85 -1.26 -4.87 118.16 112.28 1dtk n LYS 15 Ca -0.01 -3.98 -0.21 0.00 -1.05 0.00 0.00 58.31 53.05 1dtk n LYS 15 Cb 0.61 -2.26 -0.10 0.00 -0.65 0.00 0.00 35.03 32.63 1dtk n LYS 15 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 1dtk s ARG 16 N -3.79 1.67 -0.11 -1.58 1.81 -1.26 -5.11 118.95 110.57 1dtk s ARG 16 Ca 0.51 -1.95 -0.04 0.00 -1.72 0.00 0.00 55.73 52.53 1dtk s ARG 16 Cb 0.43 -0.60 0.06 0.00 -0.45 0.00 0.00 34.95 34.39 1dtk s ARG 16 CO -0.25 -0.31 0.23 0.15 -0.68 0.00 0.00 175.30 174.44 1dtk s LYS 17 N -3.87 0.12 -0.14 3.54 1.02 -1.25 -4.29 119.74 114.86 1dtk s LYS 17 Ca 0.33 0.68 -0.02 0.00 0.02 0.00 0.00 55.97 56.98 1dtk s LYS 17 Cb 0.07 -0.11 0.05 0.00 -0.52 0.00 0.00 37.83 37.31 1dtk s LYS 17 CO 0.15 -0.28 0.01 0.42 -0.92 0.00 0.00 175.35 174.73 1dtk s ILE 18 N 2.31 0.53 0.14 2.17 1.01 0.12 -4.92 121.20 122.56 1dtk s ILE 18 Ca 0.01 -0.30 -0.31 0.00 0.00 0.00 0.00 60.65 60.05 1dtk s ILE 18 Cb -0.12 -0.87 -0.11 0.00 0.01 0.00 0.00 42.46 41.38 1dtk s ILE 18 CO -0.08 0.01 1.81 -2.16 0.00 0.00 0.00 174.94 174.53 1dtk s PRO 19 N 1.88 4.13 0.35 2.79 0.04 -1.26 -0.43 135.00 142.50 1dtk s PRO 19 Ca 0.02 2.61 -0.03 0.00 0.04 0.00 0.00 61.00 63.64 1dtk s PRO 19 Cb -0.15 -3.48 0.01 0.00 0.04 0.00 0.00 34.50 30.93 1dtk s PRO 19 CO -0.07 -0.83 0.51 0.43 0.04 0.00 0.00 177.00 177.08 1dtk n SER 20 N 5.30 -1.42 -4.31 6.66 7.64 0.27 -4.87 113.62 122.89 1dtk n SER 20 Ca 0.17 -2.85 -0.28 0.00 1.01 0.00 0.00 58.87 56.92 1dtk n SER 20 Cb 0.37 2.62 -0.14 0.00 -1.01 0.00 0.00 64.21 66.05 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 -2.89 2.10 0.17 1.43 0.40 0.38 -0.62 117.98 118.94 1dtk s PHE 21 Ca 0.28 -0.40 -0.00 0.00 -0.60 0.00 0.00 56.93 56.21 1dtk s PHE 21 Cb -0.01 -1.25 -0.04 0.00 0.51 0.00 0.00 43.02 42.23 1dtk s PHE 21 CO 0.20 0.12 0.07 1.52 0.70 0.00 0.00 175.22 177.84 1dtk s TYR 22 N -0.82 1.09 -0.42 0.36 1.13 -0.54 -0.46 117.35 117.68 1dtk s TYR 22 Ca 0.10 -1.24 -0.14 0.00 -1.41 0.00 0.00 57.07 54.38 1dtk s TYR 22 Cb -0.09 -0.59 0.04 0.00 -1.10 0.00 0.00 41.96 40.22 1dtk s TYR 22 CO 0.02 -0.49 0.31 -0.47 -2.51 0.00 0.00 175.55 172.42 1dtk s TYR 23 N -3.99 3.25 -0.70 -3.49 6.14 -1.26 -0.50 117.35 116.79 1dtk s TYR 23 Ca 0.30 -0.81 -0.26 0.00 0.64 0.00 0.00 57.07 56.94 1dtk s TYR 23 Cb 0.07 -2.76 0.04 0.00 0.42 0.00 0.00 41.96 39.73 1dtk s TYR 23 CO 0.07 -0.68 1.20 0.21 0.64 0.00 0.00 175.55 176.99 1dtk s LYS 24 N 1.63 3.22 0.44 4.97 2.20 -0.06 -4.79 119.74 127.35 1dtk s LYS 24 Ca 0.04 -0.30 0.14 0.00 -0.36 0.00 0.00 55.97 55.49 1dtk s LYS 24 Cb -0.21 -4.17 1.05 0.00 -1.51 0.00 0.00 37.83 33.00 1dtk s LYS 24 CO 0.08 -2.01 1.99 2.35 -0.36 0.00 0.00 175.35 177.40 1dtk h TRP 25 N 9.86 0.39 -0.19 4.03 2.91 -1.80 0.47 115.95 131.63 1dtk h TRP 25 Ca -0.28 0.01 0.06 0.00 1.13 0.00 0.00 58.89 59.81 1dtk h TRP 25 Cb 1.06 -0.13 -0.01 0.00 -0.51 0.00 0.00 29.16 29.57 1dtk h TRP 25 CO 1.08 0.19 0.18 -0.22 -1.03 0.00 0.00 178.44 178.65 1dtk h LYS 26 N 0.38 0.00 0.00 2.65 3.11 -1.89 -2.28 116.57 118.54 1dtk h LYS 26 Ca 0.26 0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 58.08 1dtk h LYS 26 Cb 0.51 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.74 1dtk h LYS 26 CO -0.07 0.00 -1.67 0.00 -2.81 0.00 0.00 179.45 174.91 1dtk n ALA 27 N -2.40 2.47 -3.39 5.00 0.00 0.55 -5.04 120.51 117.71 1dtk n ALA 27 Ca 0.02 -0.37 -0.18 0.00 0.00 0.00 0.00 53.44 52.90 1dtk n ALA 27 Cb 0.31 -0.46 0.08 0.00 0.00 0.00 0.00 19.45 19.38 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 -2.03 -6.62 -3.81 0.00 5.02 0.13 -5.03 118.16 105.83 1dtk n LYS 28 Ca -0.04 0.76 -0.08 0.00 -2.02 0.00 0.00 58.31 56.93 1dtk n LYS 28 Cb 0.41 -5.56 -0.03 0.00 -0.02 0.00 0.00 35.03 29.83 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 -5.70 1.62 -0.02 1.97 -0.21 -1.22 -5.01 119.66 111.09 1dtk s GLN 29 Ca 0.26 -0.95 -0.21 0.00 0.02 0.00 0.00 55.36 54.48 1dtk s GLN 29 Cb -0.11 0.57 -0.05 0.00 1.00 0.00 0.00 33.01 34.42 1dtk s GLN 29 CO 0.66 -0.72 0.62 0.00 -2.12 0.00 0.00 175.29 173.74 1dtk s LEU 31 N 0.07 1.74 0.60 0.00 1.43 0.34 -4.96 118.68 117.89 1dtk s LEU 31 Ca 0.33 -0.07 -0.17 0.00 -1.03 0.00 0.00 54.13 53.19 1dtk s LEU 31 Cb -0.18 0.38 -0.03 0.00 0.03 0.00 0.00 46.19 46.39 1dtk s LEU 31 CO 0.17 -0.18 1.11 -2.16 0.23 0.00 0.00 176.35 175.51 1dtk s PRO 32 N -0.67 3.14 0.18 1.29 0.04 -1.26 -1.47 135.00 136.25 1dtk s PRO 32 Ca -0.08 1.45 -0.23 0.00 0.04 0.00 0.00 61.00 62.18 1dtk s PRO 32 Cb -0.05 -1.99 0.07 0.00 0.04 0.00 0.00 34.50 32.57 1dtk s PRO 32 CO 0.00 -0.99 0.98 -0.59 0.04 0.00 0.00 177.00 176.45 1dtk s PHE 33 N -2.12 -0.04 -0.38 0.56 -0.71 0.21 -4.89 117.98 110.62 1dtk s PHE 33 Ca 0.69 -0.33 -0.16 0.00 -1.04 0.00 0.00 56.93 56.09 1dtk s PHE 33 Cb -0.21 0.68 0.00 0.00 -1.21 0.00 0.00 43.02 42.28 1dtk s PHE 33 CO 0.34 -0.91 0.41 -0.51 -1.34 0.00 0.00 175.22 173.21 1dtk s ASP 34 N -3.12 6.20 0.62 1.98 1.01 -1.26 -0.57 116.67 121.53 1dtk s ASP 34 Ca 0.16 -0.41 -0.16 0.00 0.71 0.00 0.00 52.55 52.85 1dtk s ASP 34 Cb -0.02 -2.21 -0.02 0.00 1.01 0.00 0.00 42.92 41.68 1dtk s ASP 34 CO 0.04 -0.46 1.11 -0.47 0.21 0.00 0.00 175.17 175.60 1dtk s TYR 35 N 2.10 2.68 0.00 4.23 5.04 0.43 -4.66 117.35 127.16 1dtk s TYR 35 Ca 0.12 1.54 0.00 0.00 -2.44 0.00 0.00 57.07 56.30 1dtk s TYR 35 Cb -0.17 -3.17 0.00 0.00 0.35 0.00 0.00 41.96 38.97 1dtk s TYR 35 CO 0.13 -1.59 0.11 -1.13 -1.34 0.00 0.00 175.55 171.72 1dtk n SER 36 N -2.12 0.00 0.00 4.32 3.41 0.41 0.16 113.62 119.80 1dtk n SER 36 Ca 0.10 0.27 0.00 0.00 -0.26 0.00 0.00 58.87 58.99 1dtk n SER 36 Cb 0.52 -0.20 0.00 0.00 -0.26 0.00 0.00 64.21 64.27 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 1.85 0.56 3.66 5.00 0.00 -1.26 -3.95 105.19 111.05 1dtk n GLY 37 Ca 0.00 -0.01 -0.26 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.23 -0.46 3.88 0.00 0.00 -1.26 -3.68 105.19 103.44 1dtk n GLY 39 Ca -0.09 0.19 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 1dtk n GLY 39 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1dtk s GLY 40 N -3.53 2.19 0.00 -0.02 0.00 -1.26 -4.24 107.32 100.46 1dtk s GLY 40 Ca 0.44 -0.36 0.00 0.00 0.00 0.00 0.00 44.72 44.81 1dtk s GLY 40 CO 0.70 -0.23 0.00 1.16 0.00 0.00 0.00 173.10 174.74 1dtk n ASN 41 N -0.28 0.00 -0.41 1.64 0.23 -1.26 -5.00 115.26 110.18 1dtk n ASN 41 Ca -0.00 -0.92 0.13 0.00 -0.53 0.00 0.00 54.58 53.26 1dtk n ASN 41 Cb 0.53 0.00 0.56 0.00 -2.08 0.00 0.00 39.78 38.78 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 2.58 -2.23 -2.53 0.00 -1.26 -4.56 120.51 109.50 1dtk n ALA 42 Ca 0.00 -0.41 -0.43 0.00 0.00 0.00 0.00 53.44 52.60 1dtk n ALA 42 Cb 0.00 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.25 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 -0.01 4.72 -3.72 0.00 2.85 -1.26 -4.88 115.26 112.97 1dtk n ASN 43 Ca 0.19 -3.00 -0.11 0.00 -0.11 0.00 0.00 54.58 51.54 1dtk n ASN 43 Cb 0.30 -1.56 -0.11 0.00 1.24 0.00 0.00 39.78 39.65 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 1.64 0.34 0.01 1.20 3.52 -1.26 -4.51 118.95 119.90 1dtk s ARG 44 Ca 0.43 0.66 0.01 0.00 -0.13 0.00 0.00 55.73 56.70 1dtk s ARG 44 Cb 0.09 -0.01 -0.01 0.00 -1.56 0.00 0.00 34.95 33.46 1dtk s ARG 44 CO -0.02 -0.14 -0.04 -0.06 -0.81 0.00 0.00 175.30 174.23 1dtk s PHE 45 N 1.14 0.35 0.21 5.12 0.08 0.39 -5.00 117.98 120.27 1dtk s PHE 45 Ca -0.08 -0.23 0.14 0.00 0.12 0.00 0.00 56.93 56.89 1dtk s PHE 45 Cb -0.08 -0.23 0.47 0.00 -0.57 0.00 0.00 43.02 42.62 1dtk s PHE 45 CO -0.09 -0.05 1.65 0.87 -0.10 0.00 0.00 175.22 177.50 1dtk h LYS 46 N 5.50 0.00 -6.16 0.44 1.79 -1.93 0.11 116.57 116.32 1dtk h LYS 46 Ca -0.29 0.00 -0.56 0.00 -2.18 0.00 0.00 60.65 57.62 1dtk h LYS 46 Cb 1.20 0.00 -0.20 0.00 -1.58 0.00 0.00 32.23 31.65 1dtk h LYS 46 CO 0.47 0.52 -0.82 0.95 -1.08 0.00 0.00 179.45 179.49 1dtk s THR 47 N -3.57 1.81 0.32 -0.16 -4.23 -1.26 -4.52 115.64 104.04 1dtk s THR 47 Ca -0.01 -1.70 0.02 0.00 -1.18 0.00 0.00 61.69 58.83 1dtk s THR 47 Cb 0.12 -1.70 0.18 0.00 1.34 0.00 0.00 72.50 72.43 1dtk s THR 47 CO 0.73 -0.13 1.89 -0.29 -0.54 0.00 0.00 174.62 176.27 1dtk h ILE 48 N 3.76 1.20 -0.44 2.99 -0.00 -1.93 -2.84 117.51 120.25 1dtk h ILE 48 Ca -0.45 -0.70 -0.11 0.00 -0.00 0.00 0.00 64.86 63.60 1dtk h ILE 48 Cb 1.19 0.75 -0.01 0.00 -0.00 0.00 0.00 36.82 38.74 1dtk h ILE 48 CO 0.44 0.26 -0.14 -0.33 -0.00 0.00 0.00 178.15 178.37 1dtk h GLU 49 N 0.64 0.87 0.38 2.19 4.39 -1.98 0.26 114.58 121.33 1dtk h GLU 49 Ca 0.15 -0.35 -0.00 0.00 0.34 0.00 0.00 59.36 59.49 1dtk h GLU 49 Cb 0.24 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.83 1dtk h GLU 49 CO -0.00 0.99 -0.41 0.93 -1.16 0.00 0.00 179.01 179.36 1dtk h GLU 50 N 0.70 -0.79 -0.40 2.33 5.08 -1.96 0.16 114.58 119.70 1dtk h GLU 50 Ca 0.11 0.05 0.08 0.00 -1.00 0.00 0.00 59.36 58.60 1dtk h GLU 50 Cb 0.70 0.18 -0.09 0.00 0.50 0.00 0.00 28.75 30.03 1dtk h GLU 50 CO 0.05 -0.52 -0.27 0.00 -1.00 0.00 0.00 179.01 177.27 1dtk h ARG 52 N -0.20 0.09 0.00 0.00 2.43 -0.34 -1.12 114.38 115.24 1dtk h ARG 52 Ca 0.19 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 1dtk h ARG 52 Cb 0.50 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.03 1dtk h ARG 52 CO -0.52 0.06 0.00 -0.09 -1.51 0.00 0.00 179.97 177.91 1dtk h ARG 53 N 0.09 0.00 0.10 0.20 2.43 0.33 0.41 114.38 117.93 1dtk h ARG 53 Ca 0.04 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1dtk h ARG 53 Cb 0.02 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 1dtk h ARG 53 CO -0.04 0.00 -0.05 1.15 -1.51 0.00 0.00 179.97 179.52 1dtk h THR 54 N 0.00 0.71 0.07 0.20 2.02 -0.17 -3.43 112.91 112.31 1dtk h THR 54 Ca 0.00 -1.32 -0.36 0.00 0.77 0.00 0.00 66.41 65.50 1dtk h THR 54 Cb 0.70 1.28 -0.04 0.00 -1.74 0.00 0.00 68.15 68.35 1dtk h THR 54 CO 0.00 0.22 -2.10 0.00 0.37 0.00 0.00 175.52 174.01 1dtk n VAL 56 N -3.31 0.00 1.24 0.00 0.31 0.14 -3.99 118.33 112.71 1dtk n VAL 56 Ca -0.33 -0.53 0.10 0.00 -0.01 0.00 0.00 64.34 63.57 1dtk n VAL 56 Cb 1.04 -1.02 0.59 0.00 -0.91 0.00 0.00 33.84 33.54 1dtk n VAL 56 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12