#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 -1.25 0.25 0.00 0.00 -1.26 -4.89 121.76 114.61 1dtk s ALA 2 Ca 0.00 0.55 -0.05 0.00 0.00 0.00 0.00 51.96 52.46 1dtk s ALA 2 Cb 0.00 0.34 0.28 0.00 0.00 0.00 0.00 23.12 23.74 1dtk s ALA 2 CO 0.00 -0.47 1.86 0.87 0.00 0.00 0.00 175.76 178.01 1dtk h LYS 3 N 2.90 1.14 -0.16 0.00 1.57 -2.02 0.99 116.57 120.98 1dtk h LYS 3 Ca -0.31 -0.15 0.05 0.00 -1.87 0.00 0.00 60.65 58.37 1dtk h LYS 3 Cb 1.20 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 33.29 1dtk h LYS 3 CO 0.42 0.86 0.17 0.10 -0.57 0.00 0.00 179.45 180.42 1dtk h TYR 4 N 1.13 0.00 -0.88 -1.35 -0.00 -1.98 -0.76 116.97 113.13 1dtk h TYR 4 Ca 0.28 0.00 0.22 0.00 0.00 0.00 0.00 58.73 59.23 1dtk h TYR 4 Cb 0.08 0.00 -0.06 0.00 0.00 0.00 0.00 36.73 36.76 1dtk h TYR 4 CO 0.01 0.00 0.60 0.00 -0.00 0.00 0.00 178.16 178.77 1dtk h LYS 6 N 0.25 0.00 -6.98 0.00 3.64 -1.29 -3.36 116.57 108.82 1dtk h LYS 6 Ca 0.45 0.00 -0.52 0.00 -1.27 0.00 0.00 60.65 59.30 1dtk h LYS 6 Cb 1.35 0.00 0.09 0.00 -0.41 0.00 0.00 32.23 33.26 1dtk h LYS 6 CO -0.12 0.00 0.57 -0.51 -2.27 0.00 0.00 179.45 177.12 1dtk s LEU 7 N -6.20 4.08 0.00 5.20 1.43 0.40 -4.70 118.68 118.90 1dtk s LEU 7 Ca 0.02 2.56 -0.06 0.00 -1.03 0.00 0.00 54.13 55.62 1dtk s LEU 7 Cb 0.08 -4.09 0.09 0.00 0.03 0.00 0.00 46.19 42.30 1dtk s LEU 7 CO 0.57 -1.01 0.51 -0.81 0.23 0.00 0.00 176.35 175.84 1dtk n PRO 8 N -0.30 -0.42 -1.52 1.29 -0.04 -1.26 -4.46 135.00 128.28 1dtk n PRO 8 Ca 0.06 -0.84 -0.47 0.00 -0.04 0.00 0.00 63.50 62.21 1dtk n PRO 8 Cb 0.45 -0.51 -0.05 0.00 -0.04 0.00 0.00 33.50 33.35 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 2.70 -3.92 1.53 7.94 -1.26 -4.90 117.00 119.09 1dtk n LEU 9 Ca 0.07 0.30 -0.31 0.00 -1.11 0.00 0.00 56.01 54.96 1dtk n LEU 9 Cb 0.23 -1.41 -0.09 0.00 0.53 0.00 0.00 43.42 42.67 1dtk n LEU 9 CO 0.17 -0.72 0.14 -1.14 -1.11 0.00 0.00 177.39 174.73 1dtk n ARG 10 N 8.49 2.25 -0.25 1.96 3.00 -1.26 -4.89 116.66 125.97 1dtk n ARG 10 Ca 0.36 -4.51 -0.02 0.00 -0.00 0.00 0.00 57.85 53.67 1dtk n ARG 10 Cb 0.34 -2.33 0.10 0.00 0.00 0.00 0.00 32.46 30.57 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 4.10 1.03 0.00 5.15 2.04 -1.90 -3.42 117.51 124.50 1dtk h ILE 11 Ca 0.16 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.75 1dtk h ILE 11 Cb 0.76 0.15 0.00 0.00 -0.74 0.00 0.00 36.82 36.99 1dtk h ILE 11 CO 0.79 0.15 0.00 0.61 0.00 0.00 0.00 178.15 179.70 1dtk n GLY 12 N -1.30 -1.49 1.64 5.37 0.00 -1.26 -0.10 105.19 108.05 1dtk n GLY 12 Ca 0.09 -1.47 -0.12 0.00 0.00 0.00 0.00 46.02 44.52 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 -0.77 1.60 -0.46 1.61 -0.04 -1.22 -4.59 135.00 131.14 1dtk n PRO 13 Ca 0.00 -1.33 -0.09 0.00 -0.04 0.00 0.00 63.50 62.04 1dtk n PRO 13 Cb 0.00 -1.52 0.07 0.00 -0.04 0.00 0.00 33.50 32.01 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 -2.15 2.43 -4.17 0.00 5.02 -1.26 -5.01 118.16 113.01 1dtk n LYS 15 Ca 0.05 -4.13 -0.17 0.00 -2.02 0.00 0.00 58.31 52.04 1dtk n LYS 15 Cb 0.18 -1.93 -0.06 0.00 -0.02 0.00 0.00 35.03 33.20 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 -3.23 1.89 -0.24 1.97 1.81 -1.26 -5.11 118.95 114.79 1dtk s ARG 16 Ca 0.42 -1.89 -0.12 0.00 -1.72 0.00 0.00 55.73 52.42 1dtk s ARG 16 Cb 0.37 0.40 0.08 0.00 -0.45 0.00 0.00 34.95 35.35 1dtk s ARG 16 CO -0.11 -0.75 0.57 -1.59 -0.68 0.00 0.00 175.30 172.74 1dtk s LYS 17 N -3.13 0.55 -0.05 3.54 -2.85 -0.71 -4.41 119.74 112.69 1dtk s LYS 17 Ca 0.35 1.13 -0.02 0.00 -1.00 0.00 0.00 55.97 56.43 1dtk s LYS 17 Cb 0.01 0.25 0.03 0.00 -2.06 0.00 0.00 37.83 36.06 1dtk s LYS 17 CO 0.24 -0.17 0.08 0.42 0.10 0.00 0.00 175.35 176.02 1dtk s ILE 18 N 1.93 -0.12 0.26 3.79 1.01 0.16 -4.97 121.20 123.26 1dtk s ILE 18 Ca -0.08 0.36 -0.30 0.00 0.00 0.00 0.00 60.65 60.63 1dtk s ILE 18 Cb -0.08 -0.17 -0.10 0.00 0.01 0.00 0.00 42.46 42.12 1dtk s ILE 18 CO -0.17 0.15 1.48 -2.16 0.00 0.00 0.00 174.94 174.24 1dtk s PRO 19 N 1.91 4.23 0.34 2.79 0.04 -1.26 -0.25 135.00 142.80 1dtk s PRO 19 Ca 0.01 2.38 0.01 0.00 0.04 0.00 0.00 61.00 63.44 1dtk s PRO 19 Cb -0.12 -3.08 -0.01 0.00 0.04 0.00 0.00 34.50 31.33 1dtk s PRO 19 CO -0.04 -0.48 0.41 -1.12 0.04 0.00 0.00 177.00 175.82 1dtk s SER 20 N 0.38 1.20 0.15 6.66 0.01 0.40 -4.81 113.70 117.69 1dtk s SER 20 Ca 0.60 -1.59 0.09 0.00 1.31 0.00 0.00 55.95 56.36 1dtk s SER 20 Cb -0.44 0.63 -0.04 0.00 0.21 0.00 0.00 66.02 66.38 1dtk s SER 20 CO 0.45 -1.22 -0.14 -0.36 0.41 0.00 0.00 173.24 172.38 1dtk s PHE 21 N -3.16 2.59 0.22 2.43 0.40 0.60 -0.35 117.98 120.70 1dtk s PHE 21 Ca 0.34 -0.24 -0.01 0.00 -0.60 0.00 0.00 56.93 56.43 1dtk s PHE 21 Cb 0.01 -1.32 -0.04 0.00 0.51 0.00 0.00 43.02 42.18 1dtk s PHE 21 CO 0.23 0.45 0.16 1.52 0.70 0.00 0.00 175.22 178.29 1dtk s TYR 22 N -1.43 1.18 -0.39 0.36 1.13 0.01 -0.33 117.35 117.88 1dtk s TYR 22 Ca 0.22 -1.38 -0.14 0.00 -1.41 0.00 0.00 57.07 54.36 1dtk s TYR 22 Cb -0.10 -0.54 0.01 0.00 -1.10 0.00 0.00 41.96 40.24 1dtk s TYR 22 CO 0.13 -0.68 0.28 -0.47 -2.51 0.00 0.00 175.55 172.30 1dtk s TYR 23 N -4.07 3.24 -0.89 -3.49 6.14 -1.26 -0.47 117.35 116.55 1dtk s TYR 23 Ca 0.38 -0.54 -0.25 0.00 0.64 0.00 0.00 57.07 57.31 1dtk s TYR 23 Cb 0.06 -2.56 0.03 0.00 0.42 0.00 0.00 41.96 39.91 1dtk s TYR 23 CO 0.13 -0.55 1.47 0.21 0.64 0.00 0.00 175.55 177.45 1dtk s LYS 24 N 1.68 3.29 0.46 4.97 2.20 0.34 -4.80 119.74 127.89 1dtk s LYS 24 Ca 0.05 -0.63 0.19 0.00 -0.36 0.00 0.00 55.97 55.22 1dtk s LYS 24 Cb -0.19 -4.86 1.17 0.00 -1.51 0.00 0.00 37.83 32.44 1dtk s LYS 24 CO 0.10 -2.34 1.96 2.35 -0.36 0.00 0.00 175.35 177.06 1dtk h TRP 25 N 10.36 0.31 0.00 4.03 2.91 -1.78 0.51 115.95 132.29 1dtk h TRP 25 Ca -0.00 0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.02 1dtk h TRP 25 Cb 1.03 -0.10 0.00 0.00 -0.51 0.00 0.00 29.16 29.59 1dtk h TRP 25 CO 1.21 0.12 0.00 -0.22 -1.03 0.00 0.00 178.44 178.52 1dtk h LYS 26 N 0.27 0.00 0.00 2.65 3.64 -1.90 -1.38 116.57 119.86 1dtk h LYS 26 Ca 0.31 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.69 1dtk h LYS 26 Cb 0.86 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.68 1dtk h LYS 26 CO -0.07 0.00 -0.74 0.00 -2.27 0.00 0.00 179.45 176.37 1dtk n ALA 27 N -2.02 3.49 -2.66 5.00 0.00 0.40 -5.03 120.51 119.69 1dtk n ALA 27 Ca 0.00 -0.35 -0.16 0.00 0.00 0.00 0.00 53.44 52.93 1dtk n ALA 27 Cb 0.23 -0.46 0.02 0.00 0.00 0.00 0.00 19.45 19.24 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 -1.39 -2.90 -3.95 0.00 5.02 0.15 -5.02 118.16 110.07 1dtk n LYS 28 Ca 0.02 0.68 -0.09 0.00 -2.02 0.00 0.00 58.31 56.90 1dtk n LYS 28 Cb 0.22 -5.03 -0.07 0.00 -0.02 0.00 0.00 35.03 30.13 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 -5.20 1.02 0.05 1.97 -0.21 -1.18 -4.97 119.66 111.13 1dtk s GLN 29 Ca 0.16 -1.14 -0.24 0.00 0.02 0.00 0.00 55.36 54.15 1dtk s GLN 29 Cb -0.07 0.35 -0.06 0.00 1.00 0.00 0.00 33.01 34.23 1dtk s GLN 29 CO 0.19 -0.35 0.74 0.00 -2.12 0.00 0.00 175.29 173.76 1dtk s LEU 31 N -0.15 1.09 0.84 0.00 1.43 0.38 -4.94 118.68 117.34 1dtk s LEU 31 Ca 0.37 -0.22 -0.12 0.00 -1.03 0.00 0.00 54.13 53.14 1dtk s LEU 31 Cb -0.20 1.16 0.10 0.00 0.03 0.00 0.00 46.19 47.27 1dtk s LEU 31 CO 0.22 -0.56 1.10 -2.16 0.23 0.00 0.00 176.35 175.18 1dtk s PRO 32 N -2.32 1.71 0.14 1.29 0.04 -1.26 -0.81 135.00 133.78 1dtk s PRO 32 Ca -0.07 0.69 -0.25 0.00 0.04 0.00 0.00 61.00 61.41 1dtk s PRO 32 Cb -0.02 -1.87 0.07 0.00 0.04 0.00 0.00 34.50 32.72 1dtk s PRO 32 CO -0.02 -1.90 0.94 -0.59 0.04 0.00 0.00 177.00 175.47 1dtk s PHE 33 N -3.08 -0.16 -0.42 0.56 -0.71 0.52 -4.77 117.98 109.92 1dtk s PHE 33 Ca 0.62 -0.13 -0.23 0.00 -1.04 0.00 0.00 56.93 56.15 1dtk s PHE 33 Cb -0.16 0.63 0.02 0.00 -1.21 0.00 0.00 43.02 42.30 1dtk s PHE 33 CO 0.55 -0.81 0.78 -0.51 -1.34 0.00 0.00 175.22 173.89 1dtk s ASP 34 N -2.89 6.46 0.39 1.98 1.01 -1.26 -0.45 116.67 121.91 1dtk s ASP 34 Ca 0.11 0.08 -0.25 0.00 0.71 0.00 0.00 52.55 53.20 1dtk s ASP 34 Cb -0.02 -2.39 -0.09 0.00 1.01 0.00 0.00 42.92 41.44 1dtk s ASP 34 CO 0.01 -0.84 1.11 -0.47 0.21 0.00 0.00 175.17 175.19 1dtk s TYR 35 N 3.21 3.20 -0.01 4.23 5.04 0.66 -4.74 117.35 128.95 1dtk s TYR 35 Ca 0.30 1.61 -0.23 0.00 -2.44 0.00 0.00 57.07 56.31 1dtk s TYR 35 Cb -0.12 -3.26 -0.15 0.00 0.35 0.00 0.00 41.96 38.77 1dtk s TYR 35 CO 0.20 -0.94 1.08 0.66 -1.34 0.00 0.00 175.55 175.22 1dtk h SER 36 N 2.68 -0.35 0.00 4.32 4.64 -0.71 0.46 113.55 124.58 1dtk h SER 36 Ca -0.48 -0.19 0.00 0.00 -0.47 0.00 0.00 61.79 60.65 1dtk h SER 36 Cb 1.22 0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 1dtk h SER 36 CO 0.63 0.06 0.00 0.61 -0.87 0.00 0.00 176.83 177.26 1dtk n GLY 37 N -0.05 2.68 3.15 -0.77 0.00 -1.26 -1.74 105.19 107.20 1dtk n GLY 37 Ca -0.09 -0.31 -0.19 0.00 0.00 0.00 0.00 46.02 45.43 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 1.56 0.09 0.00 0.00 0.00 -1.26 -3.38 105.19 102.20 1dtk n GLY 39 Ca -0.20 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.09 -1.96 0.00 -0.02 0.00 -1.26 -4.44 105.19 96.42 1dtk n GLY 40 Ca -0.13 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.41 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 -1.49 1.05 0.00 1.61 0.23 -1.26 -5.03 115.26 110.38 1dtk n ASN 41 Ca 0.00 -0.14 0.12 0.00 -0.53 0.00 0.00 54.58 54.03 1dtk n ASN 41 Cb 0.00 0.00 0.19 0.00 -2.08 0.00 0.00 39.78 37.89 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 3.65 -1.72 -2.53 0.00 -1.26 -4.56 120.51 111.09 1dtk n ALA 42 Ca 0.00 -0.38 -0.41 0.00 0.00 0.00 0.00 53.44 52.65 1dtk n ALA 42 Cb 0.00 -1.08 -0.01 0.00 0.00 0.00 0.00 19.45 18.37 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 -1.55 5.01 -3.65 0.00 2.85 -1.26 -4.82 115.26 111.84 1dtk n ASN 43 Ca 0.05 -2.82 -0.04 0.00 -0.11 0.00 0.00 54.58 51.65 1dtk n ASN 43 Cb 0.34 -1.62 -0.06 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 2.62 0.53 0.01 1.20 3.52 -1.26 -4.44 118.95 121.12 1dtk s ARG 44 Ca 0.51 1.27 0.03 0.00 -0.13 0.00 0.00 55.73 57.41 1dtk s ARG 44 Cb 0.14 0.57 -0.01 0.00 -1.56 0.00 0.00 34.95 34.09 1dtk s ARG 44 CO -0.08 -0.20 -0.08 -0.06 -0.81 0.00 0.00 175.30 174.07 1dtk s PHE 45 N 2.52 0.71 0.20 5.12 0.08 0.56 -4.99 117.98 122.19 1dtk s PHE 45 Ca -0.06 -0.21 0.23 0.00 0.12 0.00 0.00 56.93 57.01 1dtk s PHE 45 Cb -0.11 -0.45 0.94 0.00 -0.57 0.00 0.00 43.02 42.84 1dtk s PHE 45 CO -0.17 -0.02 1.85 0.87 -0.10 0.00 0.00 175.22 177.65 1dtk h LYS 46 N 5.62 0.00 -5.28 0.44 1.57 -1.94 0.17 116.57 117.15 1dtk h LYS 46 Ca -0.31 0.00 -0.41 0.00 -1.87 0.00 0.00 60.65 58.06 1dtk h LYS 46 Cb 1.19 0.00 -0.22 0.00 0.08 0.00 0.00 32.23 33.27 1dtk h LYS 46 CO 0.48 0.25 -0.78 0.95 -0.57 0.00 0.00 179.45 179.78 1dtk s THR 47 N -3.76 1.07 0.33 -0.16 -4.23 -1.26 -4.65 115.64 102.98 1dtk s THR 47 Ca -0.00 -1.19 0.01 0.00 -1.18 0.00 0.00 61.69 59.33 1dtk s THR 47 Cb 0.11 -1.02 0.23 0.00 1.34 0.00 0.00 72.50 73.16 1dtk s THR 47 CO 0.64 -0.17 1.95 -0.29 -0.54 0.00 0.00 174.62 176.22 1dtk h ILE 48 N 4.37 1.19 -0.30 2.99 -0.00 -1.94 -2.26 117.51 121.55 1dtk h ILE 48 Ca -0.40 -0.47 -0.03 0.00 -0.00 0.00 0.00 64.86 63.96 1dtk h ILE 48 Cb 1.19 0.38 -0.01 0.00 -0.00 0.00 0.00 36.82 38.38 1dtk h ILE 48 CO 0.41 0.21 0.08 -0.08 -0.00 0.00 0.00 178.15 178.77 1dtk h GLU 49 N 0.84 0.48 -0.27 2.19 4.81 -1.98 0.24 114.58 120.89 1dtk h GLU 49 Ca 0.21 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 1dtk h GLU 49 Cb 0.03 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 1dtk h GLU 49 CO -0.03 0.55 0.18 1.49 -0.73 0.00 0.00 179.01 180.46 1dtk h GLU 50 N 0.33 0.36 -0.09 1.92 4.57 -1.93 0.23 114.58 119.97 1dtk h GLU 50 Ca 0.10 -0.02 0.04 0.00 -1.18 0.00 0.00 59.36 58.29 1dtk h GLU 50 Cb 0.27 -0.08 -0.05 0.00 -0.16 0.00 0.00 28.75 28.73 1dtk h GLU 50 CO -0.00 0.25 -0.24 0.00 -1.18 0.00 0.00 179.01 177.84 1dtk h ARG 52 N -0.32 0.68 0.00 0.00 2.43 0.06 0.55 114.38 117.77 1dtk h ARG 52 Ca 0.09 -0.18 -0.11 0.00 -0.81 0.00 0.00 59.98 58.97 1dtk h ARG 52 Cb 0.45 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.90 1dtk h ARG 52 CO -0.28 0.71 -0.53 0.07 -1.51 0.00 0.00 179.97 178.43 1dtk h ARG 53 N 0.53 0.00 0.13 0.20 0.11 -0.42 0.16 114.38 115.09 1dtk h ARG 53 Ca 0.13 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.20 1dtk h ARG 53 Cb 0.35 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.43 1dtk h ARG 53 CO 0.01 0.53 -0.06 1.15 0.10 0.00 0.00 179.97 181.70 1dtk h THR 54 N 0.00 0.95 0.00 0.08 2.02 -0.57 -3.43 112.91 111.96 1dtk h THR 54 Ca -0.01 -1.23 -0.05 0.00 0.77 0.00 0.00 66.41 65.89 1dtk h THR 54 Cb 1.01 1.61 -0.01 0.00 -1.74 0.00 0.00 68.15 69.02 1dtk h THR 54 CO 0.07 0.25 -0.54 0.00 0.37 0.00 0.00 175.52 175.67 1dtk n VAL 56 N -4.61 0.00 -1.93 0.00 0.31 0.57 0.19 118.33 112.87 1dtk n VAL 56 Ca -0.12 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.21 1dtk n VAL 56 Cb 0.33 -1.60 0.00 0.00 -0.91 0.00 0.00 33.84 31.66 1dtk n VAL 56 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12