#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 2.37 0.12 0.00 0.00 -1.26 -4.93 121.76 118.06 1dtk s ALA 2 Ca 0.00 0.98 -0.21 0.00 0.00 0.00 0.00 51.96 52.73 1dtk s ALA 2 Cb 0.00 -3.47 -0.06 0.00 0.00 0.00 0.00 23.12 19.59 1dtk s ALA 2 CO 0.00 -1.48 1.70 0.87 0.00 0.00 0.00 175.76 176.85 1dtk h LYS 3 N 0.39 -0.06 0.00 0.00 6.56 -2.02 -1.34 116.57 120.11 1dtk h LYS 3 Ca -0.49 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.10 1dtk h LYS 3 Cb 1.30 0.01 0.00 0.00 -0.57 0.00 0.00 32.23 32.97 1dtk h LYS 3 CO 0.53 -0.04 0.00 0.10 -2.06 0.00 0.00 179.45 177.98 1dtk h TYR 4 N -0.06 0.00 -0.04 -1.35 -0.00 -1.92 -1.50 116.97 112.11 1dtk h TYR 4 Ca 0.07 0.00 0.01 0.00 0.00 0.00 0.00 58.73 58.81 1dtk h TYR 4 Cb 0.16 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 36.89 1dtk h TYR 4 CO -0.19 0.00 0.05 0.00 -0.00 0.00 0.00 178.16 178.02 1dtk n LYS 6 N -3.63 0.17 -2.32 0.00 5.02 -0.56 -4.10 118.16 112.74 1dtk n LYS 6 Ca -0.02 0.25 -0.41 0.00 -2.02 0.00 0.00 58.31 56.11 1dtk n LYS 6 Cb 0.14 -1.75 -0.03 0.00 -0.02 0.00 0.00 35.03 33.37 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 -4.12 4.42 0.00 -0.35 1.43 0.28 -4.69 118.68 115.64 1dtk s LEU 7 Ca 0.09 2.25 -0.05 0.00 -1.03 0.00 0.00 54.13 55.39 1dtk s LEU 7 Cb 0.12 -3.60 0.06 0.00 0.03 0.00 0.00 46.19 42.81 1dtk s LEU 7 CO 0.49 -0.46 0.36 -0.81 0.23 0.00 0.00 176.35 176.16 1dtk n PRO 8 N 2.97 -0.51 -1.88 1.29 -0.04 -1.26 -4.49 135.00 131.08 1dtk n PRO 8 Ca 0.06 -0.56 -0.34 0.00 -0.04 0.00 0.00 63.50 62.63 1dtk n PRO 8 Cb 0.44 -0.39 -0.04 0.00 -0.04 0.00 0.00 33.50 33.48 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 3.26 -0.66 1.53 2.96 -1.26 -4.90 118.68 119.60 1dtk s LEU 9 Ca 0.21 0.33 -0.06 0.00 -0.22 0.00 0.00 54.13 54.39 1dtk s LEU 9 Cb -0.01 -2.53 0.17 0.00 0.50 0.00 0.00 46.19 44.33 1dtk s LEU 9 CO 0.15 -2.70 0.51 -0.60 -1.32 0.00 0.00 176.35 172.38 1dtk s ARG 10 N 7.52 2.79 0.12 1.98 6.06 -1.26 -4.90 118.95 131.25 1dtk s ARG 10 Ca 0.78 -2.48 -0.06 0.00 -2.50 0.00 0.00 55.73 51.46 1dtk s ARG 10 Cb -0.13 -3.90 -0.13 0.00 0.06 0.00 0.00 34.95 30.86 1dtk s ARG 10 CO 0.17 -1.20 1.27 0.82 -2.50 0.00 0.00 175.30 173.86 1dtk h ILE 11 N 5.20 1.39 0.00 4.11 1.08 -1.90 -3.44 117.51 123.95 1dtk h ILE 11 Ca 0.00 -2.45 0.00 0.00 -0.39 0.00 0.00 64.86 62.02 1dtk h ILE 11 Cb 0.98 2.45 0.00 0.00 -3.07 0.00 0.00 36.82 37.18 1dtk h ILE 11 CO 0.73 0.74 0.00 0.61 -0.69 0.00 0.00 178.15 179.53 1dtk n GLY 12 N 1.01 1.65 0.03 5.37 0.00 -1.25 -2.47 105.19 109.53 1dtk n GLY 12 Ca -0.08 -1.85 0.11 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 1.52 1.04 -2.24 1.61 -0.04 -1.26 -4.85 135.00 130.78 1dtk n PRO 13 Ca 0.00 -0.06 -0.28 0.00 -0.04 0.00 0.00 63.50 63.12 1dtk n PRO 13 Cb 0.00 -1.34 0.02 0.00 -0.04 0.00 0.00 33.50 32.15 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 -2.64 3.16 -4.44 0.00 2.85 -1.26 -4.76 118.16 111.07 1dtk n LYS 15 Ca 0.04 -3.90 -0.27 0.00 -1.05 0.00 0.00 58.31 53.14 1dtk n LYS 15 Cb 0.56 -2.27 -0.10 0.00 -0.65 0.00 0.00 35.03 32.57 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 -3.74 2.05 -0.03 -1.58 0.52 -1.26 -5.12 118.95 109.78 1dtk s ARG 16 Ca 0.54 -1.99 -0.00 0.00 -0.52 0.00 0.00 55.73 53.76 1dtk s ARG 16 Cb 0.44 -1.78 0.03 0.00 0.52 0.00 0.00 34.95 34.16 1dtk s ARG 16 CO -0.13 -0.05 0.03 0.15 0.02 0.00 0.00 175.30 175.32 1dtk s LYS 17 N -3.77 0.10 -0.06 3.54 1.02 -1.22 -4.09 119.74 115.26 1dtk s LYS 17 Ca 0.37 0.20 -0.03 0.00 0.02 0.00 0.00 55.97 56.53 1dtk s LYS 17 Cb 0.07 -0.44 0.04 0.00 -0.52 0.00 0.00 37.83 36.98 1dtk s LYS 17 CO 0.20 -0.21 0.11 0.42 -0.92 0.00 0.00 175.35 174.95 1dtk s ILE 18 N 1.40 -0.18 0.27 2.17 1.01 0.17 -4.91 121.20 121.14 1dtk s ILE 18 Ca -0.05 0.37 -0.31 0.00 0.00 0.00 0.00 60.65 60.67 1dtk s ILE 18 Cb -0.13 -0.22 -0.12 0.00 0.01 0.00 0.00 42.46 42.00 1dtk s ILE 18 CO -0.03 0.16 1.57 -0.81 0.00 0.00 0.00 174.94 175.83 1dtk n PRO 19 N 5.20 2.56 -3.98 2.79 -0.04 -1.26 0.25 135.00 140.53 1dtk n PRO 19 Ca -0.06 0.91 -0.11 0.00 -0.04 0.00 0.00 63.50 64.21 1dtk n PRO 19 Cb 0.50 -2.68 -0.03 0.00 -0.04 0.00 0.00 33.50 31.25 1dtk n PRO 19 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1dtk s SER 20 N 0.53 0.24 -0.02 3.54 0.01 0.37 -4.79 113.70 113.58 1dtk s SER 20 Ca 0.66 -1.13 0.06 0.00 1.31 0.00 0.00 55.95 56.85 1dtk s SER 20 Cb -0.53 0.67 -0.01 0.00 0.21 0.00 0.00 66.02 66.36 1dtk s SER 20 CO 0.47 -1.31 -0.19 -0.36 0.41 0.00 0.00 173.24 172.25 1dtk s PHE 21 N -3.36 1.74 0.24 2.43 0.40 0.53 -0.69 117.98 119.26 1dtk s PHE 21 Ca 0.23 -0.36 0.00 0.00 -0.60 0.00 0.00 56.93 56.21 1dtk s PHE 21 Cb -0.02 -1.13 -0.05 0.00 0.51 0.00 0.00 43.02 42.34 1dtk s PHE 21 CO 0.13 -0.05 0.11 1.52 0.70 0.00 0.00 175.22 177.63 1dtk s TYR 22 N -0.38 1.41 -0.43 0.36 1.13 -0.86 -0.25 117.35 118.32 1dtk s TYR 22 Ca 0.06 -1.25 -0.17 0.00 -1.41 0.00 0.00 57.07 54.30 1dtk s TYR 22 Cb -0.08 -0.78 0.03 0.00 -1.10 0.00 0.00 41.96 40.02 1dtk s TYR 22 CO -0.00 -0.44 0.46 -0.47 -2.51 0.00 0.00 175.55 172.59 1dtk s TYR 23 N -3.89 3.16 -0.93 -3.49 6.14 -1.26 -0.67 117.35 116.41 1dtk s TYR 23 Ca 0.38 -0.42 -0.24 0.00 0.64 0.00 0.00 57.07 57.43 1dtk s TYR 23 Cb 0.08 -2.99 0.05 0.00 0.42 0.00 0.00 41.96 39.51 1dtk s TYR 23 CO 0.13 -0.75 1.38 0.21 0.64 0.00 0.00 175.55 177.16 1dtk s LYS 24 N 2.17 3.46 0.47 4.97 2.20 0.08 -4.71 119.74 128.37 1dtk s LYS 24 Ca 0.12 -0.87 0.19 0.00 -0.36 0.00 0.00 55.97 55.05 1dtk s LYS 24 Cb -0.18 -4.97 1.18 0.00 -1.51 0.00 0.00 37.83 32.35 1dtk s LYS 24 CO 0.13 -2.17 1.95 2.35 -0.36 0.00 0.00 175.35 177.25 1dtk h TRP 25 N 9.83 0.30 -0.46 4.03 2.91 -1.79 0.55 115.95 131.32 1dtk h TRP 25 Ca 0.05 0.01 0.13 0.00 1.13 0.00 0.00 58.89 60.21 1dtk h TRP 25 Cb 1.02 -0.10 -0.02 0.00 -0.51 0.00 0.00 29.16 29.56 1dtk h TRP 25 CO 1.23 0.12 0.37 -0.22 -1.03 0.00 0.00 178.44 178.91 1dtk h LYS 26 N 0.26 0.00 0.00 2.65 1.63 -1.90 -1.30 116.57 117.91 1dtk h LYS 26 Ca 0.32 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.12 1dtk h LYS 26 Cb 0.89 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.52 1dtk h LYS 26 CO -0.07 0.00 -1.14 0.00 -3.45 0.00 0.00 179.45 174.79 1dtk n ALA 27 N -2.55 2.99 -3.67 5.00 0.00 0.66 -5.04 120.51 117.89 1dtk n ALA 27 Ca 0.08 -0.33 -0.28 0.00 0.00 0.00 0.00 53.44 52.92 1dtk n ALA 27 Cb 0.57 -0.45 0.04 0.00 0.00 0.00 0.00 19.45 19.62 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 -1.65 -2.13 -3.50 0.00 5.02 0.16 -5.04 118.16 111.02 1dtk n LYS 28 Ca -0.00 0.51 -0.11 0.00 -2.02 0.00 0.00 58.31 56.69 1dtk n LYS 28 Cb 0.27 -4.50 -0.03 0.00 -0.02 0.00 0.00 35.03 30.75 1dtk n LYS 28 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 1dtk s GLN 29 N -5.89 1.23 0.01 1.97 0.74 -1.18 -4.99 119.66 111.55 1dtk s GLN 29 Ca 0.35 -0.56 -0.25 0.00 0.05 0.00 0.00 55.36 54.95 1dtk s GLN 29 Cb -0.11 0.55 -0.05 0.00 1.10 0.00 0.00 33.01 34.50 1dtk s GLN 29 CO 0.85 -0.52 0.76 0.00 -0.55 0.00 0.00 175.29 175.82 1dtk s LEU 31 N 0.20 1.61 0.57 0.00 1.43 0.16 -4.96 118.68 117.69 1dtk s LEU 31 Ca 0.39 0.16 -0.18 0.00 -1.03 0.00 0.00 54.13 53.47 1dtk s LEU 31 Cb -0.20 0.39 -0.04 0.00 0.03 0.00 0.00 46.19 46.37 1dtk s LEU 31 CO 0.22 -0.07 1.12 -2.16 0.23 0.00 0.00 176.35 175.68 1dtk s PRO 32 N -0.11 3.22 0.23 1.29 0.04 -1.26 -2.03 135.00 136.38 1dtk s PRO 32 Ca -0.02 1.53 -0.20 0.00 0.04 0.00 0.00 61.00 62.35 1dtk s PRO 32 Cb -0.02 -1.99 0.07 0.00 0.04 0.00 0.00 34.50 32.60 1dtk s PRO 32 CO 0.00 -0.94 1.00 -0.59 0.04 0.00 0.00 177.00 176.51 1dtk s PHE 33 N -1.96 0.10 -0.33 0.56 -0.71 0.13 -4.93 117.98 110.85 1dtk s PHE 33 Ca 0.71 -0.57 -0.06 0.00 -1.04 0.00 0.00 56.93 55.97 1dtk s PHE 33 Cb -0.22 0.74 0.04 0.00 -1.21 0.00 0.00 43.02 42.36 1dtk s PHE 33 CO 0.31 -1.07 0.09 -0.51 -1.34 0.00 0.00 175.22 172.70 1dtk s ASP 34 N -3.40 5.22 0.61 1.98 1.01 -1.26 -0.48 116.67 120.36 1dtk s ASP 34 Ca 0.22 -1.10 -0.14 0.00 0.71 0.00 0.00 52.55 52.24 1dtk s ASP 34 Cb -0.03 -1.85 -0.03 0.00 1.01 0.00 0.00 42.92 42.02 1dtk s ASP 34 CO 0.07 -0.30 1.04 -0.47 0.21 0.00 0.00 175.17 175.72 1dtk s TYR 35 N 1.40 3.14 -0.08 4.23 5.04 0.14 -4.64 117.35 126.57 1dtk s TYR 35 Ca -0.02 1.47 -0.06 0.00 -2.44 0.00 0.00 57.07 56.02 1dtk s TYR 35 Cb -0.19 -2.92 -0.03 0.00 0.35 0.00 0.00 41.96 39.17 1dtk s TYR 35 CO 0.02 -0.99 0.23 0.66 -1.34 0.00 0.00 175.55 174.13 1dtk h SER 36 N 0.17 -0.16 0.00 4.32 4.64 -1.63 0.49 113.55 121.38 1dtk h SER 36 Ca -0.46 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1dtk h SER 36 Cb 1.21 0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1dtk h SER 36 CO 0.58 0.32 0.00 0.61 -0.87 0.00 0.00 176.83 177.47 1dtk n GLY 37 N 1.29 1.37 3.58 -0.77 0.00 -1.26 -4.38 105.19 105.02 1dtk n GLY 37 Ca -0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.92 -0.12 0.00 0.00 0.00 -1.26 -4.25 105.19 98.64 1dtk n GLY 39 Ca -0.06 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.54 1.46 0.18 -0.02 0.00 -1.26 -3.91 105.19 100.09 1dtk n GLY 40 Ca -0.10 -1.57 -0.00 0.00 0.00 0.00 0.00 46.02 44.34 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 -0.10 -0.81 1.61 0.23 -1.26 -5.00 115.26 109.93 1dtk n ASN 41 Ca 0.00 -1.06 0.03 0.00 -0.53 0.00 0.00 54.58 53.02 1dtk n ASN 41 Cb 0.00 0.16 0.13 0.00 -2.08 0.00 0.00 39.78 37.98 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 -2.89 2.81 -3.17 -2.53 0.00 -1.26 -4.44 120.51 109.03 1dtk n ALA 42 Ca -0.01 -0.57 -0.40 0.00 0.00 0.00 0.00 53.44 52.46 1dtk n ALA 42 Cb 0.03 -1.02 -0.01 0.00 0.00 0.00 0.00 19.45 18.44 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 0.21 5.69 -3.67 0.00 2.85 -1.26 -4.89 115.26 114.19 1dtk n ASN 43 Ca 0.09 -3.35 -0.10 0.00 -0.11 0.00 0.00 54.58 51.11 1dtk n ASN 43 Cb 0.46 -1.16 -0.09 0.00 1.24 0.00 0.00 39.78 40.22 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 -2.44 0.58 -0.01 1.20 3.52 -1.26 -4.51 118.95 116.03 1dtk s ARG 44 Ca 0.32 0.96 -0.01 0.00 -0.13 0.00 0.00 55.73 56.88 1dtk s ARG 44 Cb 0.04 0.12 0.00 0.00 -1.56 0.00 0.00 34.95 33.55 1dtk s ARG 44 CO 0.04 -0.14 0.02 -0.06 -0.81 0.00 0.00 175.30 174.36 1dtk s PHE 45 N 1.25 -0.02 0.18 5.12 0.40 0.65 -4.99 117.98 120.57 1dtk s PHE 45 Ca -0.08 0.06 0.31 0.00 -0.60 0.00 0.00 56.93 56.63 1dtk s PHE 45 Cb -0.06 0.00 1.33 0.00 0.51 0.00 0.00 43.02 44.80 1dtk s PHE 45 CO -0.13 -0.01 1.98 0.87 0.70 0.00 0.00 175.22 178.63 1dtk h LYS 46 N 6.15 0.00 -5.05 0.44 1.79 -1.92 0.15 116.57 118.13 1dtk h LYS 46 Ca -0.25 0.00 -0.36 0.00 -2.18 0.00 0.00 60.65 57.86 1dtk h LYS 46 Cb 1.21 0.00 -0.22 0.00 -1.58 0.00 0.00 32.23 31.64 1dtk h LYS 46 CO 0.50 0.07 -0.76 0.95 -1.08 0.00 0.00 179.45 179.13 1dtk s THR 47 N -3.75 0.90 0.30 -0.16 -4.23 -1.26 -4.69 115.64 102.74 1dtk s THR 47 Ca 0.00 -1.20 0.01 0.00 -1.18 0.00 0.00 61.69 59.32 1dtk s THR 47 Cb 0.10 -0.89 0.14 0.00 1.34 0.00 0.00 72.50 73.19 1dtk s THR 47 CO 0.56 -0.27 1.83 -0.29 -0.54 0.00 0.00 174.62 175.91 1dtk h ILE 48 N 4.38 1.22 -0.62 2.99 -0.00 -1.93 -3.00 117.51 120.55 1dtk h ILE 48 Ca -0.39 -0.86 -0.10 0.00 -0.00 0.00 0.00 64.86 63.51 1dtk h ILE 48 Cb 1.19 0.87 -0.02 0.00 -0.00 0.00 0.00 36.82 38.86 1dtk h ILE 48 CO 0.41 0.30 0.01 1.05 -0.00 0.00 0.00 178.15 179.92 1dtk h GLU 49 N 0.64 1.08 0.26 2.19 4.11 -1.98 0.19 114.58 121.08 1dtk h GLU 49 Ca 0.13 -0.34 -0.01 0.00 0.07 0.00 0.00 59.36 59.21 1dtk h GLU 49 Cb 0.36 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1dtk h GLU 49 CO 0.01 1.05 -0.13 1.49 0.07 0.00 0.00 179.01 181.50 1dtk h GLU 50 N 0.99 -0.34 -0.26 1.06 4.57 -1.96 0.24 114.58 118.88 1dtk h GLU 50 Ca 0.18 0.02 0.06 0.00 -1.18 0.00 0.00 59.36 58.44 1dtk h GLU 50 Cb 0.55 0.08 -0.07 0.00 -0.16 0.00 0.00 28.75 29.15 1dtk h GLU 50 CO 0.03 -0.20 -0.24 0.00 -1.18 0.00 0.00 179.01 177.42 1dtk h ARG 52 N -0.24 1.04 -0.00 0.00 2.43 -0.36 -1.49 114.38 115.76 1dtk h ARG 52 Ca 0.14 -0.32 -0.09 0.00 -0.81 0.00 0.00 59.98 58.90 1dtk h ARG 52 Cb 0.46 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 1dtk h ARG 52 CO -0.40 1.01 -0.45 -0.09 -1.51 0.00 0.00 179.97 178.54 1dtk h ARG 53 N 0.95 0.01 0.05 0.20 9.65 -0.08 0.31 114.38 125.47 1dtk h ARG 53 Ca 0.17 -0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 59.05 1dtk h ARG 53 Cb 0.54 -0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.12 1dtk h ARG 53 CO 0.03 0.45 -0.02 1.15 2.80 0.00 0.00 179.97 184.38 1dtk h THR 54 N 0.00 1.25 0.00 0.20 2.02 -0.09 -3.41 112.91 112.89 1dtk h THR 54 Ca -0.00 -1.03 -0.35 0.00 0.77 0.00 0.00 66.41 65.80 1dtk h THR 54 Cb 0.79 1.93 -0.06 0.00 -1.74 0.00 0.00 68.15 69.07 1dtk h THR 54 CO 0.06 0.26 -2.32 0.00 0.37 0.00 0.00 175.52 173.88 1dtk n VAL 56 N -3.03 0.00 0.00 0.00 0.31 0.11 -4.72 118.33 111.00 1dtk n VAL 56 Ca -0.38 -1.06 0.00 0.00 -0.01 0.00 0.00 64.34 62.89 1dtk n VAL 56 Cb 0.99 -1.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1dtk n VAL 56 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12