#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hkz s GLY 7 N 0.00 2.76 0.07 0.00 0.00 -1.26 -3.58 107.32 105.31 3hkz s GLY 7 Ca 0.00 1.03 0.03 0.00 0.00 0.00 0.00 44.72 45.77 3hkz s GLY 7 CO 0.00 1.45 0.06 0.54 0.00 0.00 0.00 173.10 175.15 3hkz s LYS 8 N -3.11 2.85 0.60 2.90 1.02 -0.41 -2.16 119.74 121.43 3hkz s LYS 8 Ca 0.73 -0.68 -0.02 0.00 0.02 0.00 0.00 55.97 56.02 3hkz s LYS 8 Cb -0.31 -2.72 0.04 0.00 -0.52 0.00 0.00 37.83 34.33 3hkz s LYS 8 CO 0.35 0.58 0.86 0.00 -0.92 0.00 0.00 175.35 176.21 3hkz s TRP 10 N -2.93 3.51 0.00 0.00 -0.00 -1.26 -4.08 118.94 114.18 3hkz s TRP 10 Ca 0.58 0.77 0.00 0.00 -0.00 0.00 0.00 56.10 57.45 3hkz s TRP 10 Cb -0.10 -2.24 0.00 0.00 -0.00 0.00 0.00 33.47 31.13 3hkz s TRP 10 CO 0.41 -0.07 0.00 1.63 -0.00 0.00 0.00 176.95 178.91 3hkz n LYS 11 N -1.64 0.00 -3.93 5.86 4.76 -1.26 -4.72 118.16 117.23 3hkz n LYS 11 Ca -0.00 0.00 -0.33 0.00 -2.87 0.00 0.00 58.31 55.11 3hkz n LYS 11 Cb 0.55 0.00 -0.14 0.00 -1.84 0.00 0.00 35.03 33.60 3hkz n LYS 11 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 3hkz s THR 12 N 0.00 2.67 -0.01 -0.18 -4.23 -1.26 -4.98 115.64 107.64 3hkz s THR 12 Ca 0.00 -2.41 -0.01 0.00 -1.18 0.00 0.00 61.69 58.09 3hkz s THR 12 Cb 0.00 -2.90 -0.04 0.00 1.34 0.00 0.00 72.50 70.90 3hkz s THR 12 CO 0.00 -0.66 1.02 0.49 -0.54 0.00 0.00 174.62 174.93 3hkz n PHE 13 N 4.18 0.02 -3.20 3.99 3.01 -1.26 -3.27 117.46 120.93 3hkz n PHE 13 Ca 0.03 -0.28 -0.40 0.00 1.01 0.00 0.00 57.45 57.81 3hkz n PHE 13 Cb 0.40 -0.61 -0.07 0.00 -0.01 0.00 0.00 39.48 39.20 3hkz n PHE 13 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 3hkz s THR 14 N 2.77 5.07 0.60 4.37 2.01 -1.26 -4.80 115.64 124.40 3hkz s THR 14 Ca 0.11 1.02 -0.17 0.00 0.31 0.00 0.00 61.69 62.96 3hkz s THR 14 Cb 0.05 -3.87 -0.03 0.00 0.01 0.00 0.00 72.50 68.66 3hkz s THR 14 CO -0.00 0.13 1.11 -1.81 -0.69 0.00 0.00 174.62 173.36 3hkz s ASP 15 N 1.26 5.47 0.23 3.53 1.11 -1.26 -3.16 116.67 123.84 3hkz s ASP 15 Ca 0.25 2.04 0.04 0.00 0.18 0.00 0.00 52.55 55.06 3hkz s ASP 15 Cb -0.16 -2.56 -0.02 0.00 1.07 0.00 0.00 42.92 41.26 3hkz s ASP 15 CO 0.10 -1.38 0.16 -0.62 1.18 0.00 0.00 175.17 174.60 3hkz n GLU 16 N -1.90 0.37 -4.27 8.23 1.02 -0.92 -5.00 120.64 118.17 3hkz n GLU 16 Ca 0.11 -2.18 -0.21 0.00 -0.02 0.00 0.00 57.16 54.86 3hkz n GLU 16 Cb 0.52 1.64 -0.12 0.00 -0.02 0.00 0.00 31.44 33.46 3hkz n GLU 16 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 3hkz s GLN 17 N -2.91 1.11 0.00 3.49 -1.52 -1.26 -4.22 119.66 114.35 3hkz s GLN 17 Ca 0.23 -1.24 0.00 0.00 -1.95 0.00 0.00 55.36 52.40 3hkz s GLN 17 Cb 0.01 -1.17 0.00 0.00 -0.22 0.00 0.00 33.01 31.63 3hkz s GLN 17 CO 0.16 0.25 0.28 1.28 -0.25 0.00 0.00 175.29 177.01 3hkz n LEU 18 N 0.70 0.20 -2.33 2.90 4.77 -1.26 -3.15 117.00 118.83 3hkz n LEU 18 Ca -0.17 -0.10 -0.23 0.00 -0.03 0.00 0.00 56.01 55.48 3hkz n LEU 18 Cb 0.56 -0.10 -0.06 0.00 -2.33 0.00 0.00 43.42 41.49 3hkz n LEU 18 CO 0.26 0.05 1.53 0.29 -1.33 0.00 0.00 177.39 178.18 3hkz n LYS 19 N -0.08 2.25 -1.81 3.23 5.02 -1.26 -4.78 118.16 120.73 3hkz n LYS 19 Ca 0.00 -2.05 -0.36 0.00 -2.02 0.00 0.00 58.31 53.88 3hkz n LYS 19 Cb 0.05 -2.04 -0.02 0.00 -0.02 0.00 0.00 35.03 33.00 3hkz n LYS 19 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 3hkz n VAL 20 N 0.99 4.69 -4.20 -0.18 0.24 -1.19 -4.93 118.33 113.75 3hkz n VAL 20 Ca 0.45 -3.85 -0.32 0.00 -2.04 0.00 0.00 64.34 58.58 3hkz n VAL 20 Cb 0.60 -1.99 -0.16 0.00 -1.47 0.00 0.00 33.84 30.82 3hkz n VAL 20 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3hkz s LEU 21 N -1.96 2.05 0.00 1.34 1.43 -1.26 -4.14 118.68 116.14 3hkz s LEU 21 Ca 0.56 -0.61 0.19 0.00 -1.03 0.00 0.00 54.13 53.24 3hkz s LEU 21 Cb 0.23 -1.42 -0.20 0.00 0.03 0.00 0.00 46.19 44.84 3hkz s LEU 21 CO -0.12 0.01 0.60 -0.81 0.23 0.00 0.00 176.35 176.26 3hkz n PRO 22 N 4.54 0.64 -1.02 1.29 -0.04 -1.26 -5.11 135.00 134.05 3hkz n PRO 22 Ca -0.20 0.05 -0.31 0.00 -0.04 0.00 0.00 63.50 63.00 3hkz n PRO 22 Cb 0.50 -1.68 0.13 0.00 -0.04 0.00 0.00 33.50 32.42 3hkz n PRO 22 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3hkz s GLY 23 N -4.81 1.66 -0.33 0.55 0.00 -1.26 -4.93 107.32 98.20 3hkz s GLY 23 Ca -0.05 0.30 0.02 0.00 0.00 0.00 0.00 44.72 44.98 3hkz s GLY 23 CO 0.84 0.72 1.72 1.55 0.00 0.00 0.00 173.10 177.92 3hkz n VAL 24 N -3.91 2.62 0.00 1.40 3.14 -1.26 -4.82 118.33 115.50 3hkz n VAL 24 Ca 0.09 -1.48 0.00 0.00 -2.96 0.00 0.00 64.34 59.99 3hkz n VAL 24 Cb 0.53 -0.82 0.00 0.00 -1.06 0.00 0.00 33.84 32.49 3hkz n VAL 24 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 3hkz n ARG 25 N -0.44 0.00 0.00 1.45 1.74 -1.26 -4.60 116.66 113.55 3hkz n ARG 25 Ca 0.40 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.48 3hkz n ARG 25 Cb 1.09 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.53 3hkz n ARG 25 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hkz s PRO 27 N 2.97 4.34 0.00 0.00 0.04 -1.26 -4.81 135.00 136.29 3hkz s PRO 27 Ca 0.00 0.67 0.00 0.00 0.04 0.00 0.00 61.00 61.71 3hkz s PRO 27 Cb 0.00 -3.48 0.00 0.00 0.04 0.00 0.00 34.50 31.06 3hkz s PRO 27 CO 0.00 0.00 0.00 0.66 0.04 0.00 0.00 177.00 177.70 3hkz n TYR 28 N 4.12 0.00 -1.58 0.56 4.02 -1.26 -4.88 117.16 118.14 3hkz n TYR 28 Ca -0.03 0.00 -0.62 0.00 -0.01 0.00 0.00 57.90 57.24 3hkz n TYR 28 Cb 0.51 0.00 -0.09 0.00 -0.02 0.00 0.00 39.34 39.74 3hkz n TYR 28 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3hkz n GLY 30 N 3.07 -1.15 3.65 0.00 0.00 -1.26 -3.76 105.19 105.73 3hkz n GLY 30 Ca 0.26 0.09 -0.48 0.00 0.00 0.00 0.00 46.02 45.89 3hkz n GLY 30 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3hkz n TYR 31 N -2.14 2.05 -0.89 1.61 -0.00 -1.26 -4.86 117.16 111.68 3hkz n TYR 31 Ca 0.02 0.36 0.08 0.00 -0.00 0.00 0.00 57.90 58.36 3hkz n TYR 31 Cb 0.18 -2.49 0.31 0.00 -0.00 0.00 0.00 39.34 37.34 3hkz n TYR 31 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.86 178.49 3hkz n LYS 32 N 3.47 3.61 0.08 2.98 5.02 -1.26 -4.36 118.16 127.70 3hkz n LYS 32 Ca 0.18 -2.90 -0.19 0.00 -2.02 0.00 0.00 58.31 53.38 3hkz n LYS 32 Cb 0.25 -1.95 -0.15 0.00 -0.02 0.00 0.00 35.03 33.17 3hkz n LYS 32 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 3hkz h ILE 33 N 2.68 1.17 0.00 -0.18 1.08 -1.89 -3.48 117.51 116.89 3hkz h ILE 33 Ca 0.00 -2.77 0.00 0.00 -0.39 0.00 0.00 64.86 61.70 3hkz h ILE 33 Cb 1.57 2.82 0.00 0.00 -3.07 0.00 0.00 36.82 38.15 3hkz h ILE 33 CO 0.30 0.83 0.00 0.00 -0.69 0.00 0.00 178.15 178.59 3hkz n ILE 34 N -3.52 0.00 -3.92 -0.67 0.00 -1.25 -4.93 119.36 105.07 3hkz n ILE 34 Ca -0.17 0.00 -0.11 0.00 0.00 0.00 0.00 62.75 62.47 3hkz n ILE 34 Cb 1.06 0.00 -0.12 0.00 0.00 0.00 0.00 39.64 40.57 3hkz n ILE 34 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 176.55 177.27 3hkz s PHE 35 N 0.00 0.12 0.35 9.51 -0.12 -0.51 -4.91 117.98 122.43 3hkz s PHE 35 Ca 0.00 -0.25 -0.27 0.00 -0.05 0.00 0.00 56.93 56.37 3hkz s PHE 35 Cb 0.00 -0.09 -0.12 0.00 -0.63 0.00 0.00 43.02 42.18 3hkz s PHE 35 CO 0.00 -0.10 1.09 -1.33 -0.05 0.00 0.00 175.22 174.84 3hkz n MET 36 N 2.33 1.59 -4.31 1.99 2.81 -1.26 -1.29 117.12 118.98 3hkz n MET 36 Ca -0.18 0.56 -0.27 0.00 -1.81 0.00 0.00 57.70 56.00 3hkz n MET 36 Cb 0.57 -2.06 -0.08 0.00 -0.71 0.00 0.00 33.22 30.95 3hkz n MET 36 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 3hkz s VAL 37 N -1.15 1.99 -0.46 2.03 0.11 -1.23 -4.87 120.40 116.82 3hkz s VAL 37 Ca 0.59 -1.79 -0.44 0.00 -2.93 0.00 0.00 61.98 57.41 3hkz s VAL 37 Cb -0.61 -2.78 -0.18 0.00 -1.53 0.00 0.00 36.38 31.28 3hkz s VAL 37 CO 0.59 0.00 1.88 -1.14 -3.33 0.00 0.00 175.10 173.11 3hkz n ARG 38 N -1.24 0.22 -1.60 1.54 0.63 -1.26 -4.83 116.66 110.13 3hkz n ARG 38 Ca -0.05 0.07 -0.45 0.00 -0.92 0.00 0.00 57.85 56.50 3hkz n ARG 38 Cb 0.65 -1.65 -0.04 0.00 0.45 0.00 0.00 32.46 31.88 3hkz n ARG 38 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 3hkz n LYS 39 N 5.91 2.00 -1.45 -0.14 4.81 -1.26 -4.79 118.16 123.24 3hkz n LYS 39 Ca 0.41 0.63 -0.42 0.00 -0.87 0.00 0.00 58.31 58.06 3hkz n LYS 39 Cb -0.01 -2.95 -0.04 0.00 0.02 0.00 0.00 35.03 32.06 3hkz n LYS 39 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 3hkz n PRO 40 N 8.05 1.95 -4.43 1.64 -0.04 -1.26 -4.81 135.00 136.11 3hkz n PRO 40 Ca 0.29 -2.17 -0.22 0.00 -0.04 0.00 0.00 63.50 61.37 3hkz n PRO 40 Cb 0.37 -3.11 -0.10 0.00 -0.04 0.00 0.00 33.50 30.62 3hkz n PRO 40 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 3hkz s THR 41 N 4.97 1.98 -0.33 0.52 2.01 -1.26 -5.09 115.64 118.45 3hkz s THR 41 Ca 0.55 -2.24 -0.29 0.00 0.31 0.00 0.00 61.69 60.02 3hkz s THR 41 Cb 0.13 -2.30 0.01 0.00 0.01 0.00 0.00 72.50 70.35 3hkz s THR 41 CO 0.06 -0.41 1.13 -0.51 -0.69 0.00 0.00 174.62 174.20 3hkz s ILE 42 N -2.81 4.40 -0.16 1.82 2.07 -1.26 -5.01 121.20 120.25 3hkz s ILE 42 Ca 0.28 1.59 0.00 0.00 -1.41 0.00 0.00 60.65 61.11 3hkz s ILE 42 Cb -0.00 -4.37 0.00 0.00 0.13 0.00 0.00 42.46 38.22 3hkz s ILE 42 CO 0.12 -0.52 -0.16 -0.54 -1.91 0.00 0.00 174.94 171.93 3hkz s LYS 43 N 3.83 3.18 -0.31 3.50 1.02 -1.26 -5.09 119.74 124.60 3hkz s LYS 43 Ca 0.48 -0.76 -0.18 0.00 0.02 0.00 0.00 55.97 55.54 3hkz s LYS 43 Cb -0.13 -2.63 -0.01 0.00 -0.52 0.00 0.00 37.83 34.53 3hkz s LYS 43 CO 0.18 -0.04 0.49 0.42 -0.92 0.00 0.00 175.35 175.48 3hkz s ILE 44 N 0.95 5.06 -0.19 2.17 1.01 -1.26 -5.05 121.20 123.88 3hkz s ILE 44 Ca -0.03 0.51 -0.06 0.00 0.00 0.00 0.00 60.65 61.08 3hkz s ILE 44 Cb -0.15 -3.89 -0.03 0.00 0.01 0.00 0.00 42.46 38.41 3hkz s ILE 44 CO -0.03 -0.08 0.01 -0.69 0.00 0.00 0.00 174.94 174.16 3hkz s VAL 45 N 2.32 4.17 0.08 2.92 1.01 -1.26 -5.10 120.40 124.54 3hkz s VAL 45 Ca 0.19 -0.24 -0.30 0.00 0.00 0.00 0.00 61.98 61.62 3hkz s VAL 45 Cb -0.16 -2.88 -0.06 0.00 0.00 0.00 0.00 36.38 33.29 3hkz s VAL 45 CO 0.12 0.44 1.19 -1.59 0.00 0.00 0.00 175.10 175.26 3hkz s LYS 46 N 0.78 4.45 -1.27 2.72 0.00 -1.26 -4.97 119.74 120.19 3hkz s LYS 46 Ca 0.01 1.78 -0.14 0.00 0.00 0.00 0.00 55.97 57.62 3hkz s LYS 46 Cb -0.14 -3.33 0.13 0.00 0.00 0.00 0.00 37.83 34.49 3hkz s LYS 46 CO 0.02 -0.22 1.69 0.00 0.00 0.00 0.00 175.35 176.84 3hkz n ALA 47 N 3.68 4.28 0.75 0.59 0.00 -1.26 -5.36 120.51 123.20 3hkz n ALA 47 Ca 0.08 -4.12 0.09 0.00 0.00 0.00 0.00 53.44 49.49 3hkz n ALA 47 Cb 0.46 -3.23 0.08 0.00 0.00 0.00 0.00 19.45 16.76 3hkz n ALA 47 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61