#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 3.00 0.11 0.00 0.00 -1.25 -4.99 121.76 118.64 1dtk s ALA 2 Ca 0.00 0.45 -0.21 0.00 0.00 0.00 0.00 51.96 52.20 1dtk s ALA 2 Cb 0.00 -3.17 -0.08 0.00 0.00 0.00 0.00 23.12 19.87 1dtk s ALA 2 CO 0.00 0.03 1.74 -0.22 0.00 0.00 0.00 175.76 177.31 1dtk h LYS 3 N 1.83 0.08 0.00 0.00 3.11 -2.02 -1.96 116.57 117.62 1dtk h LYS 3 Ca -0.49 -0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.34 1dtk h LYS 3 Cb 1.19 -0.02 0.00 0.00 -1.00 0.00 0.00 32.23 32.40 1dtk h LYS 3 CO 0.61 0.06 0.00 0.10 -2.81 0.00 0.00 179.45 177.40 1dtk h TYR 4 N 0.09 0.00 0.00 1.91 -0.00 -1.98 -2.94 116.97 114.05 1dtk h TYR 4 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.79 1dtk h TYR 4 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.77 1dtk h TYR 4 CO -0.12 0.00 0.17 0.00 -0.00 0.00 0.00 178.16 178.21 1dtk h LYS 6 N 0.00 0.00 -6.89 0.00 3.64 -1.71 -3.38 116.57 108.24 1dtk h LYS 6 Ca 0.00 0.00 -0.53 0.00 -1.27 0.00 0.00 60.65 58.85 1dtk h LYS 6 Cb 0.34 0.00 0.07 0.00 -0.41 0.00 0.00 32.23 32.23 1dtk h LYS 6 CO 0.00 0.00 0.66 -0.51 -2.27 0.00 0.00 179.45 177.33 1dtk s LEU 7 N -5.78 4.41 0.00 5.20 1.43 0.11 -4.72 118.68 119.32 1dtk s LEU 7 Ca 0.01 2.75 -0.04 0.00 -1.03 0.00 0.00 54.13 55.82 1dtk s LEU 7 Cb 0.09 -3.65 0.05 0.00 0.03 0.00 0.00 46.19 42.71 1dtk s LEU 7 CO 0.49 -0.59 0.30 -0.81 0.23 0.00 0.00 176.35 175.96 1dtk n PRO 8 N 0.74 -0.36 -2.05 1.29 -0.04 -1.26 -4.55 135.00 128.77 1dtk n PRO 8 Ca 0.00 -0.46 -0.27 0.00 -0.04 0.00 0.00 63.50 62.73 1dtk n PRO 8 Cb 0.41 -0.31 -0.06 0.00 -0.04 0.00 0.00 33.50 33.50 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 3.06 -1.15 1.53 2.96 -1.26 -4.84 118.68 118.98 1dtk s LEU 9 Ca 0.17 -1.35 -0.09 0.00 -0.22 0.00 0.00 54.13 52.64 1dtk s LEU 9 Cb -0.00 -2.58 0.25 0.00 0.50 0.00 0.00 46.19 44.35 1dtk s LEU 9 CO 0.12 -3.04 1.34 -1.14 -1.32 0.00 0.00 176.35 172.32 1dtk n ARG 10 N 8.45 3.68 -0.16 1.98 3.00 -1.26 -4.78 116.66 127.56 1dtk n ARG 10 Ca 0.43 -4.22 0.02 0.00 -0.00 0.00 0.00 57.85 54.08 1dtk n ARG 10 Cb 0.47 -2.71 0.31 0.00 0.00 0.00 0.00 32.46 30.52 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 3.87 1.14 0.00 5.15 2.04 -1.88 -3.43 117.51 124.40 1dtk h ILE 11 Ca 0.24 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.80 1dtk h ILE 11 Cb 0.80 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 37.08 1dtk h ILE 11 CO 1.20 0.16 0.00 0.61 0.00 0.00 0.00 178.15 180.11 1dtk n GLY 12 N -1.44 -2.65 1.52 5.37 0.00 -1.26 -1.09 105.19 105.64 1dtk n GLY 12 Ca 0.08 -1.20 -0.08 0.00 0.00 0.00 0.00 46.02 44.82 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 -0.83 1.38 -2.66 1.61 -0.04 -1.26 -4.50 135.00 128.70 1dtk n PRO 13 Ca 0.00 -0.81 -0.23 0.00 -0.04 0.00 0.00 63.50 62.41 1dtk n PRO 13 Cb 0.00 -1.32 0.03 0.00 -0.04 0.00 0.00 33.50 32.17 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 -2.37 2.89 -4.39 0.00 4.81 -1.26 -4.80 118.16 113.04 1dtk n LYS 15 Ca 0.05 -3.67 -0.20 0.00 -0.87 0.00 0.00 58.31 53.62 1dtk n LYS 15 Cb 0.59 -2.27 -0.10 0.00 0.02 0.00 0.00 35.03 33.27 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 -3.93 1.60 -0.26 1.64 1.81 -1.26 -5.10 118.95 113.45 1dtk s ARG 16 Ca 0.53 -1.90 -0.02 0.00 -1.72 0.00 0.00 55.73 52.62 1dtk s ARG 16 Cb 0.44 -0.48 0.15 0.00 -0.45 0.00 0.00 34.95 34.61 1dtk s ARG 16 CO -0.29 -0.32 0.43 -1.59 -0.68 0.00 0.00 175.30 172.85 1dtk s LYS 17 N -3.90 0.41 -0.16 3.54 -2.85 -1.23 -4.24 119.74 111.31 1dtk s LYS 17 Ca 0.35 0.59 0.00 0.00 -1.00 0.00 0.00 55.97 55.91 1dtk s LYS 17 Cb 0.07 -0.22 0.02 0.00 -2.06 0.00 0.00 37.83 35.64 1dtk s LYS 17 CO 0.15 -0.69 -0.15 0.42 0.10 0.00 0.00 175.35 175.18 1dtk s ILE 18 N 2.62 1.66 0.20 3.79 1.09 0.63 -4.89 121.20 126.30 1dtk s ILE 18 Ca 0.14 -0.70 -0.32 0.00 -1.10 0.00 0.00 60.65 58.67 1dtk s ILE 18 Cb -0.15 -1.55 -0.12 0.00 -1.06 0.00 0.00 42.46 39.58 1dtk s ILE 18 CO -0.19 0.46 1.70 -2.16 -0.10 0.00 0.00 174.94 174.65 1dtk s PRO 19 N 1.45 4.14 0.30 2.79 0.04 -1.26 -0.46 135.00 142.00 1dtk s PRO 19 Ca 0.05 2.58 -0.01 0.00 0.04 0.00 0.00 61.00 63.66 1dtk s PRO 19 Cb -0.13 -3.08 -0.01 0.00 0.04 0.00 0.00 34.50 31.31 1dtk s PRO 19 CO -0.11 -0.73 0.36 -1.12 0.04 0.00 0.00 177.00 175.44 1dtk s SER 20 N 1.16 0.86 0.01 6.66 0.01 0.19 -4.87 113.70 117.72 1dtk s SER 20 Ca 0.74 -1.47 0.09 0.00 1.31 0.00 0.00 55.95 56.61 1dtk s SER 20 Cb -0.49 0.58 -0.02 0.00 0.21 0.00 0.00 66.02 66.29 1dtk s SER 20 CO 0.32 -1.14 -0.26 -0.36 0.41 0.00 0.00 173.24 172.21 1dtk s PHE 21 N -3.46 2.31 0.26 2.43 0.40 0.87 -0.52 117.98 120.26 1dtk s PHE 21 Ca 0.34 -0.42 0.02 0.00 -0.60 0.00 0.00 56.93 56.26 1dtk s PHE 21 Cb 0.02 -1.43 -0.05 0.00 0.51 0.00 0.00 43.02 42.06 1dtk s PHE 21 CO 0.19 0.05 0.08 1.52 0.70 0.00 0.00 175.22 177.76 1dtk s TYR 22 N -0.71 1.56 -0.37 0.36 1.13 -0.15 -0.50 117.35 118.67 1dtk s TYR 22 Ca 0.11 -1.12 -0.15 0.00 -1.41 0.00 0.00 57.07 54.49 1dtk s TYR 22 Cb -0.10 -0.93 -0.00 0.00 -1.10 0.00 0.00 41.96 39.83 1dtk s TYR 22 CO 0.01 -0.27 0.33 -0.47 -2.51 0.00 0.00 175.55 172.64 1dtk s TYR 23 N -3.67 3.21 -1.05 -3.49 5.04 -1.26 -0.55 117.35 115.58 1dtk s TYR 23 Ca 0.36 -0.25 -0.23 0.00 -2.44 0.00 0.00 57.07 54.51 1dtk s TYR 23 Cb 0.08 -2.65 0.01 0.00 0.35 0.00 0.00 41.96 39.75 1dtk s TYR 23 CO 0.13 -0.50 1.67 0.21 -1.34 0.00 0.00 175.55 175.72 1dtk s LYS 24 N 1.90 3.28 0.52 4.97 2.20 0.22 -4.81 119.74 128.02 1dtk s LYS 24 Ca 0.09 -1.04 0.26 0.00 -0.36 0.00 0.00 55.97 54.93 1dtk s LYS 24 Cb -0.17 -5.30 1.38 0.00 -1.51 0.00 0.00 37.83 32.23 1dtk s LYS 24 CO 0.11 -2.69 1.95 2.35 -0.36 0.00 0.00 175.35 176.71 1dtk h TRP 25 N 9.85 0.07 0.00 4.03 2.91 -1.80 0.47 115.95 131.48 1dtk h TRP 25 Ca 0.21 0.00 -0.00 0.00 1.13 0.00 0.00 58.89 60.23 1dtk h TRP 25 Cb 0.98 -0.02 -0.00 0.00 -0.51 0.00 0.00 29.16 29.61 1dtk h TRP 25 CO 1.28 0.02 -0.00 -0.22 -1.03 0.00 0.00 178.44 178.49 1dtk h LYS 26 N 0.06 0.00 0.00 2.65 1.63 -1.90 -3.08 116.57 115.93 1dtk h LYS 26 Ca 0.33 0.00 -0.09 0.00 -0.85 0.00 0.00 60.65 60.05 1dtk h LYS 26 Cb 1.24 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.86 1dtk h LYS 26 CO -0.02 0.00 -1.33 0.00 -3.45 0.00 0.00 179.45 174.65 1dtk n ALA 27 N -2.09 1.88 -2.23 5.00 0.00 0.42 -5.07 120.51 118.42 1dtk n ALA 27 Ca -0.02 -0.31 -0.06 0.00 0.00 0.00 0.00 53.44 53.05 1dtk n ALA 27 Cb 0.13 0.18 0.03 0.00 0.00 0.00 0.00 19.45 19.79 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 -2.24 -1.08 -3.67 0.00 5.02 0.14 -5.08 118.16 111.25 1dtk n LYS 28 Ca -0.08 0.34 -0.10 0.00 -2.02 0.00 0.00 58.31 56.44 1dtk n LYS 28 Cb 0.65 -3.26 -0.04 0.00 -0.02 0.00 0.00 35.03 32.36 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 -3.66 1.27 0.01 1.97 -0.21 -1.23 -5.01 119.66 112.80 1dtk s GLN 29 Ca 0.16 -0.77 -0.24 0.00 0.02 0.00 0.00 55.36 54.53 1dtk s GLN 29 Cb -0.02 0.51 -0.05 0.00 1.00 0.00 0.00 33.01 34.45 1dtk s GLN 29 CO 0.29 -0.53 0.73 0.00 -2.12 0.00 0.00 175.29 173.65 1dtk s LEU 31 N 0.15 1.96 0.73 0.00 1.43 0.29 -4.95 118.68 118.29 1dtk s LEU 31 Ca 0.37 -0.31 -0.11 0.00 -1.03 0.00 0.00 54.13 53.06 1dtk s LEU 31 Cb -0.19 0.29 0.03 0.00 0.03 0.00 0.00 46.19 46.35 1dtk s LEU 31 CO 0.21 -0.27 1.07 -2.16 0.23 0.00 0.00 176.35 175.43 1dtk s PRO 32 N -1.19 2.60 0.09 1.29 0.04 -1.26 -0.98 135.00 135.59 1dtk s PRO 32 Ca -0.13 0.95 -0.26 0.00 0.04 0.00 0.00 61.00 61.60 1dtk s PRO 32 Cb -0.08 -1.95 0.09 0.00 0.04 0.00 0.00 34.50 32.60 1dtk s PRO 32 CO -0.00 -1.34 1.11 -0.59 0.04 0.00 0.00 177.00 176.22 1dtk s PHE 33 N -3.03 -0.03 -0.24 0.56 -0.71 0.32 -4.84 117.98 110.00 1dtk s PHE 33 Ca 0.59 -0.22 -0.10 0.00 -1.04 0.00 0.00 56.93 56.16 1dtk s PHE 33 Cb -0.15 0.62 -0.05 0.00 -1.21 0.00 0.00 43.02 42.24 1dtk s PHE 33 CO 0.55 -0.63 0.14 -0.51 -1.34 0.00 0.00 175.22 173.43 1dtk s ASP 34 N -3.18 5.85 0.27 1.98 1.01 -1.26 -0.63 116.67 120.70 1dtk s ASP 34 Ca 0.17 0.02 -0.14 0.00 0.71 0.00 0.00 52.55 53.31 1dtk s ASP 34 Cb 0.00 -2.06 -0.08 0.00 1.01 0.00 0.00 42.92 41.79 1dtk s ASP 34 CO 0.01 0.03 0.66 -0.47 0.21 0.00 0.00 175.17 175.62 1dtk s TYR 35 N 1.26 3.44 0.00 4.23 5.04 0.40 -4.76 117.35 126.96 1dtk s TYR 35 Ca 0.07 1.13 0.00 0.00 -2.44 0.00 0.00 57.07 55.82 1dtk s TYR 35 Cb -0.14 -2.45 0.00 0.00 0.35 0.00 0.00 41.96 39.71 1dtk s TYR 35 CO 0.06 0.20 0.03 -1.13 -1.34 0.00 0.00 175.55 173.37 1dtk n SER 36 N -0.06 0.00 0.00 4.32 3.41 -0.25 -0.27 113.62 120.78 1dtk n SER 36 Ca 0.01 0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.66 1dtk n SER 36 Cb 0.53 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 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 2.10 0.44 3.88 5.00 0.00 -1.26 -4.15 105.19 111.19 1dtk n GLY 37 Ca 0.00 -0.04 -0.21 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.40 -0.44 0.00 0.00 0.00 -1.26 -4.37 105.19 97.71 1dtk n GLY 39 Ca -0.02 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.55 1.18 2.62 -0.02 0.00 -1.26 -4.15 105.19 102.01 1dtk n GLY 40 Ca 0.02 -1.51 -0.03 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 -1.31 0.22 1.61 0.23 -1.26 -5.01 115.26 109.74 1dtk n ASN 41 Ca 0.00 -1.76 0.15 0.00 -0.53 0.00 0.00 54.58 52.44 1dtk n ASN 41 Cb 0.00 2.14 0.63 0.00 -2.08 0.00 0.00 39.78 40.47 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 2.00 1.00 -0.02 -2.53 0.00 -2.01 -3.38 119.26 114.33 1dtk h ALA 42 Ca -0.20 0.00 -0.67 0.00 0.00 0.00 0.00 54.91 54.04 1dtk h ALA 42 Cb 0.83 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.63 1dtk h ALA 42 CO 0.26 0.00 2.59 -1.71 0.00 0.00 0.00 179.25 180.39 1dtk n ASN 43 N -2.76 3.04 -3.65 0.00 2.85 -1.26 -4.83 115.26 108.65 1dtk n ASN 43 Ca 0.01 -2.74 -0.07 0.00 -0.11 0.00 0.00 54.58 51.67 1dtk n ASN 43 Cb 0.27 -1.33 -0.08 0.00 1.24 0.00 0.00 39.78 39.88 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 4.36 0.63 -0.00 1.20 3.52 -1.26 -4.54 118.95 122.86 1dtk s ARG 44 Ca 0.54 1.16 -0.01 0.00 -0.13 0.00 0.00 55.73 57.29 1dtk s ARG 44 Cb 0.14 0.18 -0.00 0.00 -1.56 0.00 0.00 34.95 33.71 1dtk s ARG 44 CO 0.04 -0.16 0.02 -0.06 -0.81 0.00 0.00 175.30 174.34 1dtk s PHE 45 N 1.73 0.06 -0.23 5.12 0.08 0.35 -4.98 117.98 120.11 1dtk s PHE 45 Ca -0.09 -0.12 0.21 0.00 0.12 0.00 0.00 56.93 57.05 1dtk s PHE 45 Cb -0.06 -0.05 0.40 0.00 -0.57 0.00 0.00 43.02 42.73 1dtk s PHE 45 CO -0.18 -0.09 1.61 0.87 -0.10 0.00 0.00 175.22 177.32 1dtk h LYS 46 N 5.51 0.00 -6.79 0.44 1.79 -1.92 0.25 116.57 115.85 1dtk h LYS 46 Ca -0.27 0.00 -0.68 0.00 -2.18 0.00 0.00 60.65 57.52 1dtk h LYS 46 Cb 1.21 0.00 -0.20 0.00 -1.58 0.00 0.00 32.23 31.66 1dtk h LYS 46 CO 0.46 0.21 -0.84 0.95 -1.08 0.00 0.00 179.45 179.15 1dtk s THR 47 N -3.21 2.49 0.26 -0.16 -4.23 -1.26 -4.73 115.64 104.79 1dtk s THR 47 Ca 0.05 -1.72 -0.02 0.00 -1.18 0.00 0.00 61.69 58.82 1dtk s THR 47 Cb 0.07 -2.14 0.09 0.00 1.34 0.00 0.00 72.50 71.87 1dtk s THR 47 CO 0.68 0.05 1.74 -0.29 -0.54 0.00 0.00 174.62 176.26 1dtk h ILE 48 N 3.62 1.25 -0.73 2.99 2.10 -1.94 -3.21 117.51 121.58 1dtk h ILE 48 Ca -0.50 -1.09 0.00 0.00 1.08 0.00 0.00 64.86 64.36 1dtk h ILE 48 Cb 1.18 1.00 -0.04 0.00 -1.09 0.00 0.00 36.82 37.87 1dtk h ILE 48 CO 0.43 0.37 0.47 -0.33 -1.08 0.00 0.00 178.15 178.02 1dtk h GLU 49 N 0.68 0.97 -0.55 2.19 3.07 -1.98 0.30 114.58 119.26 1dtk h GLU 49 Ca 0.12 -0.07 -0.00 0.00 -0.50 0.00 0.00 59.36 58.92 1dtk h GLU 49 Cb 0.52 -0.22 -0.03 0.00 -0.84 0.00 0.00 28.75 28.19 1dtk h GLU 49 CO 0.03 0.66 0.34 1.49 -1.40 0.00 0.00 179.01 180.13 1dtk h GLU 50 N 1.00 0.74 0.33 2.33 4.57 -1.98 0.12 114.58 121.68 1dtk h GLU 50 Ca 0.27 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.38 1dtk h GLU 50 Cb -0.09 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.33 1dtk h GLU 50 CO -0.06 0.52 -0.25 0.00 -1.18 0.00 0.00 179.01 178.04 1dtk h ARG 52 N -0.59 0.07 -0.32 0.00 2.43 -0.22 -0.99 114.38 114.76 1dtk h ARG 52 Ca -0.02 -0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.09 1dtk h ARG 52 Cb 0.51 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.03 1dtk h ARG 52 CO -0.01 0.04 -0.04 -0.09 -1.51 0.00 0.00 179.97 178.36 1dtk h ARG 53 N 0.07 0.51 -0.16 0.20 2.43 -0.53 0.25 114.38 117.15 1dtk h ARG 53 Ca 0.19 -0.12 -0.06 0.00 -0.81 0.00 0.00 59.98 59.19 1dtk h ARG 53 Cb 0.28 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.76 1dtk h ARG 53 CO -0.35 0.56 -0.12 1.15 -1.51 0.00 0.00 179.97 179.70 1dtk h THR 54 N 0.48 1.33 0.01 0.20 2.02 0.22 -3.39 112.91 113.78 1dtk h THR 54 Ca 0.10 -1.23 -0.37 0.00 0.77 0.00 0.00 66.41 65.69 1dtk h THR 54 Cb 0.38 1.79 -0.07 0.00 -1.74 0.00 0.00 68.15 68.52 1dtk h THR 54 CO 0.02 0.36 -2.32 0.00 0.37 0.00 0.00 175.52 173.95 1dtk n VAL 56 N -2.94 0.00 1.66 0.00 0.31 0.88 -3.46 118.33 114.78 1dtk n VAL 56 Ca -0.34 0.00 0.15 0.00 -0.01 0.00 0.00 64.34 64.13 1dtk n VAL 56 Cb 1.10 -0.49 0.66 0.00 -0.91 0.00 0.00 33.84 34.21 1dtk n VAL 56 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12