#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 1.32 -0.08 0.00 0.00 -1.26 -5.01 121.76 116.73 1dtk s ALA 2 Ca 0.00 -0.40 -0.20 0.00 0.00 0.00 0.00 51.96 51.36 1dtk s ALA 2 Cb 0.00 -3.09 -0.16 0.00 0.00 0.00 0.00 23.12 19.87 1dtk s ALA 2 CO 0.00 -2.58 0.74 0.87 0.00 0.00 0.00 175.76 174.79 1dtk h LYS 3 N -1.71 -0.12 -0.05 0.00 6.56 -2.02 -3.31 116.57 115.92 1dtk h LYS 3 Ca -0.53 0.01 0.01 0.00 -1.06 0.00 0.00 60.65 59.09 1dtk h LYS 3 Cb 1.33 0.03 -0.00 0.00 -0.57 0.00 0.00 32.23 33.01 1dtk h LYS 3 CO 0.59 0.38 0.22 0.10 -2.06 0.00 0.00 179.45 178.69 1dtk h TYR 4 N -0.90 0.00 -0.54 -1.35 -0.00 -1.96 0.07 116.97 112.29 1dtk h TYR 4 Ca -0.01 0.00 0.16 0.00 0.00 0.00 0.00 58.73 58.88 1dtk h TYR 4 Cb 0.56 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.27 1dtk h TYR 4 CO 0.12 0.00 0.46 0.00 -0.00 0.00 0.00 178.16 178.74 1dtk h LYS 6 N 0.00 0.37 -6.95 0.00 6.56 -1.18 -3.35 116.57 112.02 1dtk h LYS 6 Ca 0.26 -0.07 -0.54 0.00 -1.06 0.00 0.00 60.65 59.24 1dtk h LYS 6 Cb 1.18 -0.06 0.10 0.00 -0.57 0.00 0.00 32.23 32.89 1dtk h LYS 6 CO -0.00 0.43 0.71 -0.51 -2.06 0.00 0.00 179.45 178.02 1dtk s LEU 7 N -8.97 4.27 0.00 2.94 1.43 0.67 -4.56 118.68 114.46 1dtk s LEU 7 Ca -0.07 2.91 -0.09 0.00 -1.03 0.00 0.00 54.13 55.85 1dtk s LEU 7 Cb 0.16 -3.77 0.13 0.00 0.03 0.00 0.00 46.19 42.73 1dtk s LEU 7 CO 0.74 -0.90 0.67 -0.81 0.23 0.00 0.00 176.35 176.28 1dtk n PRO 8 N 0.29 -0.95 -1.66 1.29 -0.04 -1.26 -4.47 135.00 128.19 1dtk n PRO 8 Ca 0.02 -1.04 -0.49 0.00 -0.04 0.00 0.00 63.50 61.96 1dtk n PRO 8 Cb 0.41 -0.74 -0.05 0.00 -0.04 0.00 0.00 33.50 33.08 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 2.91 -3.51 1.53 7.94 -1.26 -4.94 117.00 119.67 1dtk n LEU 9 Ca 0.09 1.05 -0.29 0.00 -1.11 0.00 0.00 56.01 55.75 1dtk n LEU 9 Cb 0.30 -1.35 -0.12 0.00 0.53 0.00 0.00 43.42 42.79 1dtk n LEU 9 CO 0.22 -0.35 -0.30 -0.60 -1.11 0.00 0.00 177.39 175.25 1dtk s ARG 10 N 2.04 0.79 0.10 1.96 6.06 -1.26 -4.97 118.95 123.66 1dtk s ARG 10 Ca 0.86 -1.63 -0.14 0.00 -2.50 0.00 0.00 55.73 52.31 1dtk s ARG 10 Cb -0.76 -1.56 -0.12 0.00 0.06 0.00 0.00 34.95 32.57 1dtk s ARG 10 CO 0.46 -1.23 1.36 0.82 -2.50 0.00 0.00 175.30 174.20 1dtk h ILE 11 N 4.99 1.30 0.00 4.11 1.08 -1.92 -3.42 117.51 123.65 1dtk h ILE 11 Ca 0.08 -1.70 0.00 0.00 -0.39 0.00 0.00 64.86 62.86 1dtk h ILE 11 Cb 0.95 1.79 0.00 0.00 -3.07 0.00 0.00 36.82 36.48 1dtk h ILE 11 CO 0.33 0.54 0.00 0.61 -0.69 0.00 0.00 178.15 178.94 1dtk n GLY 12 N 0.42 -1.29 0.07 5.37 0.00 -1.26 -1.02 105.19 107.49 1dtk n GLY 12 Ca -0.05 -1.59 0.15 0.00 0.00 0.00 0.00 46.02 44.53 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 -1.13 0.79 -0.90 1.61 -0.04 -1.26 -4.71 135.00 129.36 1dtk n PRO 13 Ca 0.00 -0.15 -0.10 0.00 -0.04 0.00 0.00 63.50 63.21 1dtk n PRO 13 Cb 0.00 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.03 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 -1.95 1.03 -2.76 0.00 4.81 -1.26 -4.78 118.16 113.25 1dtk n LYS 15 Ca 0.06 -3.33 -0.22 0.00 -0.87 0.00 0.00 58.31 53.95 1dtk n LYS 15 Cb 0.22 -1.54 0.08 0.00 0.02 0.00 0.00 35.03 33.81 1dtk n LYS 15 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1dtk s ARG 16 N -2.67 1.99 -0.54 1.64 0.52 -1.22 -5.08 118.95 113.59 1dtk s ARG 16 Ca 0.35 -1.29 0.06 0.00 -0.52 0.00 0.00 55.73 54.34 1dtk s ARG 16 Cb 0.39 -2.47 0.23 0.00 0.52 0.00 0.00 34.95 33.62 1dtk s ARG 16 CO -0.04 -1.16 0.58 1.17 0.02 0.00 0.00 175.30 175.87 1dtk n LYS 17 N -2.56 1.52 -3.44 3.54 4.81 -1.26 -4.44 118.16 116.33 1dtk n LYS 17 Ca 0.15 -3.98 -0.43 0.00 -0.87 0.00 0.00 58.31 53.17 1dtk n LYS 17 Cb 0.61 -1.85 -0.06 0.00 0.02 0.00 0.00 35.03 33.74 1dtk n LYS 17 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1dtk s ILE 18 N -1.56 4.77 0.02 3.15 1.01 -0.80 -4.92 121.20 122.88 1dtk s ILE 18 Ca 0.35 -1.86 -0.30 0.00 0.00 0.00 0.00 60.65 58.84 1dtk s ILE 18 Cb 0.11 -4.07 -0.08 0.00 0.01 0.00 0.00 42.46 38.43 1dtk s ILE 18 CO -0.09 -0.86 1.87 -2.16 0.00 0.00 0.00 174.94 173.70 1dtk s PRO 19 N 1.17 4.15 0.39 2.79 0.04 -1.26 -0.45 135.00 141.83 1dtk s PRO 19 Ca 0.07 2.49 0.06 0.00 0.04 0.00 0.00 61.00 63.66 1dtk s PRO 19 Cb -0.25 -4.08 -0.02 0.00 0.04 0.00 0.00 34.50 30.19 1dtk s PRO 19 CO -0.01 -0.92 0.20 0.43 0.04 0.00 0.00 177.00 176.75 1dtk n SER 20 N 7.32 0.46 -4.32 6.66 7.64 0.30 -4.90 113.62 126.78 1dtk n SER 20 Ca 0.19 -3.24 -0.23 0.00 1.01 0.00 0.00 58.87 56.60 1dtk n SER 20 Cb 0.41 1.32 -0.12 0.00 -1.01 0.00 0.00 64.21 64.82 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 -3.23 1.83 0.20 1.43 0.40 0.86 -0.39 117.98 119.07 1dtk s PHE 21 Ca 0.29 -0.44 -0.05 0.00 -0.60 0.00 0.00 56.93 56.13 1dtk s PHE 21 Cb 0.01 -0.95 -0.03 0.00 0.51 0.00 0.00 43.02 42.57 1dtk s PHE 21 CO 0.20 0.28 0.22 1.52 0.70 0.00 0.00 175.22 178.15 1dtk s TYR 22 N -1.67 0.86 -0.39 0.36 1.13 -0.17 -0.34 117.35 117.13 1dtk s TYR 22 Ca 0.12 -1.15 -0.11 0.00 -1.41 0.00 0.00 57.07 54.52 1dtk s TYR 22 Cb -0.08 -0.32 0.04 0.00 -1.10 0.00 0.00 41.96 40.50 1dtk s TYR 22 CO 0.06 -0.72 0.23 -0.47 -2.51 0.00 0.00 175.55 172.13 1dtk s TYR 23 N -4.10 3.25 -0.72 -3.49 6.14 -1.26 -0.43 117.35 116.75 1dtk s TYR 23 Ca 0.31 -1.00 -0.27 0.00 0.64 0.00 0.00 57.07 56.76 1dtk s TYR 23 Cb 0.05 -2.55 0.01 0.00 0.42 0.00 0.00 41.96 39.90 1dtk s TYR 23 CO 0.09 -0.68 1.47 0.21 0.64 0.00 0.00 175.55 177.28 1dtk s LYS 24 N 1.55 3.03 0.54 4.97 2.20 0.17 -4.80 119.74 127.41 1dtk s LYS 24 Ca 0.02 -0.03 0.24 0.00 -0.36 0.00 0.00 55.97 55.85 1dtk s LYS 24 Cb -0.20 -4.30 1.42 0.00 -1.51 0.00 0.00 37.83 33.24 1dtk s LYS 24 CO 0.06 -2.34 2.04 2.35 -0.36 0.00 0.00 175.35 177.10 1dtk h TRP 25 N 11.46 0.00 -0.67 4.03 2.91 -1.78 0.34 115.95 132.24 1dtk h TRP 25 Ca -0.25 0.00 0.04 0.00 1.13 0.00 0.00 58.89 59.82 1dtk h TRP 25 Cb 1.08 0.00 -0.05 0.00 -0.51 0.00 0.00 29.16 29.68 1dtk h TRP 25 CO 1.11 0.00 0.39 -0.22 -1.03 0.00 0.00 178.44 178.69 1dtk h LYS 26 N 0.00 0.72 0.00 2.65 3.64 -1.89 -3.07 116.57 118.62 1dtk h LYS 26 Ca 0.18 -0.04 -0.16 0.00 -1.27 0.00 0.00 60.65 59.35 1dtk h LYS 26 Cb 0.75 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.38 1dtk h LYS 26 CO -0.00 0.48 -1.35 0.00 -2.27 0.00 0.00 179.45 176.31 1dtk h ALA 27 N 1.32 0.65 -4.05 5.00 0.00 -1.06 -3.48 119.26 117.64 1dtk h ALA 27 Ca 0.28 -0.81 -0.28 0.00 0.00 0.00 0.00 54.91 54.11 1dtk h ALA 27 Cb 0.11 0.25 0.08 0.00 0.00 0.00 0.00 17.79 18.23 1dtk h ALA 27 CO -0.15 0.89 -0.46 1.63 0.00 0.00 0.00 179.25 181.17 1dtk n LYS 28 N -2.91 -4.95 -3.95 0.00 5.02 0.86 -5.05 118.16 107.19 1dtk n LYS 28 Ca -0.09 0.59 -0.09 0.00 -2.02 0.00 0.00 58.31 56.70 1dtk n LYS 28 Cb 0.83 -4.86 -0.09 0.00 -0.02 0.00 0.00 35.03 30.89 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 -5.75 0.60 0.14 1.97 -0.21 -1.22 -4.99 119.66 110.19 1dtk s GLN 29 Ca 0.35 -0.84 -0.30 0.00 0.02 0.00 0.00 55.36 54.60 1dtk s GLN 29 Cb -0.16 0.23 -0.06 0.00 1.00 0.00 0.00 33.01 34.02 1dtk s GLN 29 CO 0.44 -0.15 1.00 0.00 -2.12 0.00 0.00 175.29 174.46 1dtk s LEU 31 N -0.17 1.73 0.69 0.00 1.43 0.43 -4.94 118.68 117.85 1dtk s LEU 31 Ca 0.47 -0.20 -0.11 0.00 -1.03 0.00 0.00 54.13 53.26 1dtk s LEU 31 Cb -0.25 0.47 0.01 0.00 0.03 0.00 0.00 46.19 46.45 1dtk s LEU 31 CO 0.31 -0.29 1.06 -2.16 0.23 0.00 0.00 176.35 175.51 1dtk s PRO 32 N -1.13 2.97 0.15 1.29 0.04 -1.26 -1.00 135.00 136.05 1dtk s PRO 32 Ca -0.12 0.77 -0.23 0.00 0.04 0.00 0.00 61.00 61.46 1dtk s PRO 32 Cb -0.07 -2.01 0.08 0.00 0.04 0.00 0.00 34.50 32.54 1dtk s PRO 32 CO 0.01 -1.03 1.07 -0.59 0.04 0.00 0.00 177.00 176.50 1dtk s PHE 33 N -3.15 0.06 -0.29 0.56 -0.71 0.47 -4.86 117.98 110.06 1dtk s PHE 33 Ca 0.58 -0.42 -0.06 0.00 -1.04 0.00 0.00 56.93 55.99 1dtk s PHE 33 Cb -0.13 0.68 0.02 0.00 -1.21 0.00 0.00 43.02 42.38 1dtk s PHE 33 CO 0.54 -0.83 0.06 -0.51 -1.34 0.00 0.00 175.22 173.14 1dtk s ASP 34 N -3.45 5.01 0.37 1.98 1.01 -1.26 -0.54 116.67 119.79 1dtk s ASP 34 Ca 0.23 -0.79 -0.20 0.00 0.71 0.00 0.00 52.55 52.50 1dtk s ASP 34 Cb -0.02 -1.84 -0.10 0.00 1.01 0.00 0.00 42.92 41.97 1dtk s ASP 34 CO 0.04 -0.20 0.88 -0.47 0.21 0.00 0.00 175.17 175.63 1dtk s TYR 35 N 1.46 3.40 -0.84 4.23 5.04 0.40 -4.76 117.35 126.29 1dtk s TYR 35 Ca 0.02 1.52 0.27 0.00 -2.44 0.00 0.00 57.07 56.43 1dtk s TYR 35 Cb -0.17 -2.76 0.98 0.00 0.35 0.00 0.00 41.96 40.36 1dtk s TYR 35 CO 0.01 0.02 1.82 -1.13 -1.34 0.00 0.00 175.55 174.93 1dtk n SER 36 N -0.31 0.45 -1.01 4.32 3.41 -0.18 -1.90 113.62 118.40 1dtk n SER 36 Ca 0.05 0.55 -0.11 0.00 -0.26 0.00 0.00 58.87 59.10 1dtk n SER 36 Cb 0.53 -0.67 -0.03 0.00 -0.26 0.00 0.00 64.21 63.78 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 1.25 0.67 3.39 5.00 0.00 -1.26 -3.42 105.19 110.82 1dtk n GLY 37 Ca 0.06 -0.48 -0.15 0.00 0.00 0.00 0.00 46.02 45.44 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 1.38 -0.49 0.00 0.00 0.00 -1.26 -4.04 105.19 100.78 1dtk n GLY 39 Ca -0.19 0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.03 0.18 0.00 -0.02 0.00 -1.26 -4.47 105.19 98.59 1dtk n GLY 40 Ca -0.06 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.50 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 0.66 0.09 1.61 0.23 -1.26 -4.99 115.26 111.60 1dtk n ASN 41 Ca 0.00 -0.69 0.12 0.00 -0.53 0.00 0.00 54.58 53.48 1dtk n ASN 41 Cb 0.00 0.00 0.18 0.00 -2.08 0.00 0.00 39.78 37.88 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 0.68 0.00 -2.53 0.00 -1.99 -3.40 119.26 113.01 1dtk h ALA 42 Ca 0.00 0.00 -0.67 0.00 0.00 0.00 0.00 54.91 54.24 1dtk h ALA 42 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1dtk h ALA 42 CO 0.00 0.00 3.18 -1.71 0.00 0.00 0.00 179.25 180.72 1dtk n ASN 43 N -2.35 4.98 -3.66 0.00 2.85 -1.26 -4.81 115.26 111.01 1dtk n ASN 43 Ca 0.03 -2.72 -0.08 0.00 -0.11 0.00 0.00 54.58 51.70 1dtk n ASN 43 Cb 0.47 -1.53 -0.08 0.00 1.24 0.00 0.00 39.78 39.87 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 3.19 0.56 -0.03 1.20 3.52 -1.26 -4.41 118.95 121.71 1dtk s ARG 44 Ca 0.54 1.07 -0.03 0.00 -0.13 0.00 0.00 55.73 57.17 1dtk s ARG 44 Cb 0.15 0.13 0.01 0.00 -1.56 0.00 0.00 34.95 33.68 1dtk s ARG 44 CO -0.05 -0.16 0.09 -0.06 -0.81 0.00 0.00 175.30 174.30 1dtk s PHE 45 N 1.68 -0.08 -0.66 5.12 0.08 0.54 -4.97 117.98 119.69 1dtk s PHE 45 Ca -0.09 0.20 0.26 0.00 0.12 0.00 0.00 56.93 57.41 1dtk s PHE 45 Cb -0.07 0.02 0.85 0.00 -0.57 0.00 0.00 43.02 43.25 1dtk s PHE 45 CO -0.17 -0.07 1.76 0.36 -0.10 0.00 0.00 175.22 177.01 1dtk n LYS 46 N 2.90 0.25 -4.05 0.44 0.00 -1.26 -0.10 118.16 116.34 1dtk n LYS 46 Ca -0.13 0.28 -0.11 0.00 -0.00 0.00 0.00 58.31 58.35 1dtk n LYS 46 Cb 0.59 -1.83 -0.11 0.00 -0.00 0.00 0.00 35.03 33.68 1dtk n LYS 46 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 1dtk s THR 47 N -3.16 0.38 0.32 0.58 -4.23 -1.26 -4.78 115.64 103.48 1dtk s THR 47 Ca 0.09 -1.20 0.03 0.00 -1.18 0.00 0.00 61.69 59.43 1dtk s THR 47 Cb 0.11 -0.72 0.29 0.00 1.34 0.00 0.00 72.50 73.53 1dtk s THR 47 CO 0.55 -0.55 1.89 -0.29 -0.54 0.00 0.00 174.62 175.68 1dtk h ILE 48 N 4.22 0.98 -0.27 2.99 6.09 -1.96 -2.40 117.51 127.16 1dtk h ILE 48 Ca -0.34 -0.31 -0.15 0.00 -1.37 0.00 0.00 64.86 62.68 1dtk h ILE 48 Cb 1.19 -0.02 -0.01 0.00 0.47 0.00 0.00 36.82 38.46 1dtk h ILE 48 CO 0.46 0.17 -0.45 -0.08 -3.07 0.00 0.00 178.15 175.18 1dtk h GLU 49 N 0.92 0.71 -0.03 2.19 4.57 -1.97 0.26 114.58 121.22 1dtk h GLU 49 Ca 0.42 -0.39 -0.00 0.00 -1.18 0.00 0.00 59.36 58.20 1dtk h GLU 49 Cb 0.38 0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 29.00 1dtk h GLU 49 CO -0.18 1.01 0.02 1.49 -1.18 0.00 0.00 179.01 180.17 1dtk h GLU 50 N 0.57 0.04 0.22 1.92 4.57 -1.91 0.15 114.58 120.13 1dtk h GLU 50 Ca 0.04 -0.00 0.01 0.00 -1.18 0.00 0.00 59.36 58.22 1dtk h GLU 50 Cb 1.00 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.55 1dtk h GLU 50 CO 0.09 0.10 -0.35 0.00 -1.18 0.00 0.00 179.01 177.68 1dtk h ARG 52 N -0.63 -0.11 0.00 0.00 2.43 -0.39 -1.38 114.38 114.30 1dtk h ARG 52 Ca 0.01 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.13 1dtk h ARG 52 Cb 0.62 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.19 1dtk h ARG 52 CO -0.14 -0.07 -0.24 -0.09 -1.51 0.00 0.00 179.97 177.92 1dtk h ARG 53 N -0.11 0.00 0.02 0.20 2.43 -0.44 0.34 114.38 116.82 1dtk h ARG 53 Ca 0.16 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.32 1dtk h ARG 53 Cb 0.35 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 1dtk h ARG 53 CO -0.37 0.24 -0.01 1.15 -1.51 0.00 0.00 179.97 179.47 1dtk h THR 54 N 0.00 1.34 0.00 0.20 2.02 -0.15 -3.42 112.91 112.90 1dtk h THR 54 Ca -0.00 -1.15 -0.42 0.00 0.77 0.00 0.00 66.41 65.61 1dtk h THR 54 Cb 0.85 2.10 -0.07 0.00 -1.74 0.00 0.00 68.15 69.30 1dtk h THR 54 CO 0.03 0.29 -2.46 0.00 0.37 0.00 0.00 175.52 173.75 1dtk s VAL 56 N -2.51 2.20 0.00 0.00 1.01 0.12 -3.80 120.40 117.41 1dtk s VAL 56 Ca -0.36 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 61.10 1dtk s VAL 56 Cb 0.11 -2.68 0.00 0.00 0.00 0.00 0.00 36.38 33.81 1dtk s VAL 56 CO 0.57 0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.28