#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1z99 h LYS 2 N 0.00 0.14 -0.06 -3.48 3.11 -1.97 -0.16 116.57 114.15 1z99 h LYS 2 Ca 0.00 -0.01 -0.09 0.00 -2.81 0.00 0.00 60.65 57.74 1z99 h LYS 2 Cb 0.00 -0.03 -0.01 0.00 -1.00 0.00 0.00 32.23 31.19 1z99 h LYS 2 CO 0.00 0.09 -0.39 1.96 -2.81 0.00 0.00 179.45 178.30 1z99 h GLN 3 N 0.14 0.12 0.27 1.90 1.08 -1.97 0.25 115.11 116.90 1z99 h GLN 3 Ca 0.20 -0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 57.33 1z99 h GLN 3 Cb 0.26 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.69 1z99 h GLN 3 CO -0.30 0.50 -0.13 0.00 -0.95 0.00 0.00 178.83 177.95 1z99 h HIS 5 N -0.89 0.00 -0.58 0.00 3.86 -0.73 -2.17 115.15 114.64 1z99 h HIS 5 Ca -0.04 0.00 0.11 0.00 -1.16 0.00 0.00 60.37 59.28 1z99 h HIS 5 Cb 0.51 0.00 -0.11 0.00 1.06 0.00 0.00 27.41 28.87 1z99 h HIS 5 CO 0.05 0.00 -0.29 0.87 0.86 0.00 0.00 177.93 179.42 1z99 h LYS 6 N 0.00 -0.13 -0.04 2.45 6.56 -1.03 -0.25 116.57 124.12 1z99 h LYS 6 Ca 0.04 0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.64 1z99 h LYS 6 Cb 0.18 0.03 0.00 0.00 -0.57 0.00 0.00 32.23 31.87 1z99 h LYS 6 CO -0.00 -0.09 0.00 1.17 -2.06 0.00 0.00 179.45 178.47 1z99 n LYS 7 N -5.44 1.17 -0.08 3.15 4.81 -0.83 -4.85 118.16 116.09 1z99 n LYS 7 Ca 0.05 -0.25 0.00 0.00 -0.87 0.00 0.00 58.31 57.24 1z99 n LYS 7 Cb 0.35 -1.30 0.00 0.00 0.02 0.00 0.00 35.03 34.10 1z99 n LYS 7 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1z99 n GLY 8 N 0.86 0.50 3.58 3.14 0.00 -0.11 -4.67 105.19 108.50 1z99 n GLY 8 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 1z99 n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1z99 s GLY 9 N -1.30 1.78 0.00 -0.02 0.00 -1.12 -2.98 107.32 103.68 1z99 s GLY 9 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 44.72 43.94 1z99 s GLY 9 CO 0.00 1.42 0.45 1.42 0.00 0.00 0.00 173.10 176.38 1z99 n HIS 10 N 5.88 0.00 0.00 1.90 8.25 -1.25 -2.51 115.22 127.50 1z99 n HIS 10 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 1z99 n HIS 10 Cb 0.49 -0.32 0.00 0.00 1.12 0.00 0.00 29.99 31.28 1z99 n HIS 10 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1z99 s PHE 12 N 0.00 0.95 0.78 0.00 0.08 0.14 -4.98 117.98 114.95 1z99 s PHE 12 Ca 0.00 -0.82 -0.14 0.00 0.12 0.00 0.00 56.93 56.09 1z99 s PHE 12 Cb 0.00 -0.53 0.05 0.00 -0.57 0.00 0.00 43.02 41.97 1z99 s PHE 12 CO 0.00 -0.09 1.08 -2.30 -0.10 0.00 0.00 175.22 173.81 1z99 n PRO 13 N 0.14 0.31 -0.18 0.24 -0.02 -1.26 -0.74 135.00 133.49 1z99 n PRO 13 Ca -0.13 0.17 -0.01 0.00 -2.02 0.00 0.00 63.50 61.51 1z99 n PRO 13 Cb 0.60 -2.33 0.08 0.00 -0.02 0.00 0.00 33.50 31.83 1z99 n PRO 13 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1z99 h LYS 14 N -0.65 0.30 -0.30 -0.52 1.63 -1.87 -2.72 116.57 112.42 1z99 h LYS 14 Ca -0.47 -0.02 0.09 0.00 -0.85 0.00 0.00 60.65 59.40 1z99 h LYS 14 Cb 1.31 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 32.86 1z99 h LYS 14 CO 0.46 0.20 0.29 0.93 -3.45 0.00 0.00 179.45 177.88 1z99 h GLU 15 N 0.30 0.00 -0.15 1.90 5.08 -1.91 -1.09 114.58 118.72 1z99 h GLU 15 Ca 0.27 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.59 1z99 h GLU 15 Cb 0.35 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1z99 h GLU 15 CO -0.32 0.00 -0.09 1.57 -1.00 0.00 0.00 179.01 179.17 1z99 h LYS 16 N 0.00 0.22 -6.15 2.33 5.09 -1.84 -3.48 116.57 112.75 1z99 h LYS 16 Ca 0.14 -0.04 0.00 0.00 0.09 0.00 0.00 60.65 60.84 1z99 h LYS 16 Cb 0.73 -0.03 -0.01 0.00 0.10 0.00 0.00 32.23 33.02 1z99 h LYS 16 CO -0.00 0.33 -0.76 -0.89 -2.09 0.00 0.00 179.45 176.04 1z99 n ILE 17 N -4.31 -3.10 -2.38 0.07 5.41 -0.42 -4.90 119.36 109.73 1z99 n ILE 17 Ca -0.01 0.59 -0.41 0.00 1.00 0.00 0.00 62.75 63.91 1z99 n ILE 17 Cb 0.24 -3.37 -0.03 0.00 -0.71 0.00 0.00 39.64 35.76 1z99 n ILE 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1z99 s LEU 19 N 0.10 1.28 0.68 0.00 2.96 -1.26 -4.19 118.68 118.25 1z99 s LEU 19 Ca 0.55 0.32 -0.13 0.00 -0.22 0.00 0.00 54.13 54.64 1z99 s LEU 19 Cb -0.32 0.52 0.01 0.00 0.50 0.00 0.00 46.19 46.89 1z99 s LEU 19 CO 0.35 -0.07 1.08 -2.16 -1.32 0.00 0.00 176.35 174.23 1z99 s PRO 20 N 0.27 2.84 -1.55 0.98 0.04 -1.26 -4.66 135.00 131.65 1z99 s PRO 20 Ca -0.02 1.18 -0.11 0.00 0.04 0.00 0.00 61.00 62.09 1z99 s PRO 20 Cb -0.03 -1.97 -0.03 0.00 0.04 0.00 0.00 34.50 32.51 1z99 s PRO 20 CO -0.01 -1.19 2.66 -0.35 0.04 0.00 0.00 177.00 178.14 1z99 n PRO 21 N -2.76 3.41 0.03 0.56 -0.04 -1.26 -3.93 135.00 131.02 1z99 n PRO 21 Ca 0.09 -2.41 -0.00 0.00 -0.04 0.00 0.00 63.50 61.14 1z99 n PRO 21 Cb 0.53 -2.98 -0.00 0.00 -0.04 0.00 0.00 33.50 31.01 1z99 n PRO 21 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1z99 n SER 22 N 4.47 0.70 0.30 3.54 2.88 -1.26 -4.66 113.62 119.59 1z99 n SER 22 Ca 0.68 0.09 0.16 0.00 -1.33 0.00 0.00 58.87 58.47 1z99 n SER 22 Cb 0.29 -0.23 0.95 0.00 -0.75 0.00 0.00 64.21 64.48 1z99 n SER 22 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1z99 h SER 23 N -0.03 0.00 -0.39 -3.46 0.02 -1.94 -3.26 113.55 104.49 1z99 h SER 23 Ca 0.00 0.00 -0.69 0.00 -0.84 0.00 0.00 61.79 60.26 1z99 h SER 23 Cb 0.03 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.51 1z99 h SER 23 CO 0.00 0.00 2.71 -0.67 -1.14 0.00 0.00 176.83 177.73 1z99 n ASP 24 N -3.74 4.34 -1.62 3.07 -0.08 -1.26 -3.62 116.55 113.64 1z99 n ASP 24 Ca -0.03 -2.87 -0.04 0.00 -1.51 0.00 0.00 54.79 50.34 1z99 n ASP 24 Cb 0.10 -1.70 -0.02 0.00 2.34 0.00 0.00 41.12 41.84 1z99 n ASP 24 CO 0.00 0.00 0.00 2.22 0.12 0.00 0.00 177.20 179.54 1z99 n PHE 25 N 7.17 0.19 -3.99 -0.67 1.16 -1.23 -4.74 117.46 115.34 1z99 n PHE 25 Ca 0.51 -1.18 -0.29 0.00 -1.87 0.00 0.00 57.45 54.62 1z99 n PHE 25 Cb 0.42 -0.70 -0.05 0.00 -1.61 0.00 0.00 39.48 37.54 1z99 n PHE 25 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1z99 n GLY 26 N 1.49 -0.26 1.42 4.97 0.00 -1.26 -4.71 105.19 106.84 1z99 n GLY 26 Ca 0.09 0.18 0.15 0.00 0.00 0.00 0.00 46.02 46.44 1z99 n GLY 26 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1z99 n LYS 27 N -4.03 -3.36 0.00 1.61 -0.00 -1.26 -5.02 118.16 106.10 1z99 n LYS 27 Ca -0.22 2.74 0.00 0.00 -0.00 0.00 0.00 58.31 60.83 1z99 n LYS 27 Cb 0.54 -3.82 0.00 0.00 -0.00 0.00 0.00 35.03 31.75 1z99 n LYS 27 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.40 176.07 1z99 n MET 28 N -4.05 0.51 0.00 -1.58 2.81 -1.26 -4.92 117.12 108.63 1z99 n MET 28 Ca -0.08 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.81 1z99 n MET 28 Cb 0.64 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.15 1z99 n MET 28 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1z99 n ASP 29 N 0.00 0.89 -4.88 7.83 2.03 -1.26 -4.86 116.55 116.30 1z99 n ASP 29 Ca 0.00 -0.78 -0.29 0.00 0.52 0.00 0.00 54.79 54.23 1z99 n ASP 29 Cb 0.00 -0.20 0.08 0.00 -0.72 0.00 0.00 41.12 40.29 1z99 n ASP 29 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1z99 n ARG 31 N -3.28 -0.33 0.05 0.00 1.74 -1.26 -4.93 116.66 108.65 1z99 n ARG 31 Ca 0.08 -0.07 -0.08 0.00 -0.77 0.00 0.00 57.85 57.01 1z99 n ARG 31 Cb 0.60 -1.60 0.08 0.00 -1.02 0.00 0.00 32.46 30.51 1z99 n ARG 31 CO 0.00 0.00 0.00 2.35 -1.52 0.00 0.00 177.63 178.46 1z99 h TRP 32 N -1.45 0.48 -0.00 -1.55 7.01 -1.97 -3.22 115.95 115.25 1z99 h TRP 32 Ca -0.44 -0.19 0.00 0.00 2.11 0.00 0.00 58.89 60.37 1z99 h TRP 32 Cb 1.30 -0.08 0.00 0.00 -2.10 0.00 0.00 29.16 28.27 1z99 h TRP 32 CO 0.31 0.89 -0.26 -2.13 -2.79 0.00 0.00 178.44 174.46 1z99 n ARG 33 N -3.89 0.50 -4.50 2.65 0.63 -1.26 -4.89 116.66 105.89 1z99 n ARG 33 Ca -0.03 -0.25 -0.24 0.00 -0.92 0.00 0.00 57.85 56.42 1z99 n ARG 33 Cb 0.64 -1.49 -0.11 0.00 0.45 0.00 0.00 32.46 31.94 1z99 n ARG 33 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 1z99 s TRP 34 N -2.67 2.16 0.33 -0.14 0.52 -1.22 -3.61 118.94 114.31 1z99 s TRP 34 Ca 0.21 -0.77 0.07 0.00 0.02 0.00 0.00 56.10 55.63 1z99 s TRP 34 Cb 0.19 -1.40 -0.03 0.00 -1.15 0.00 0.00 33.47 31.08 1z99 s TRP 34 CO 0.56 0.25 0.27 -1.59 0.02 0.00 0.00 176.95 176.46 1z99 s LYS 35 N -3.78 1.75 0.05 4.98 -2.85 0.08 -4.39 119.74 115.58 1z99 s LYS 35 Ca 0.34 -2.02 0.02 0.00 -1.00 0.00 0.00 55.97 53.32 1z99 s LYS 35 Cb 0.07 0.29 -0.03 0.00 -2.06 0.00 0.00 37.83 36.11 1z99 s LYS 35 CO 0.15 -0.64 -0.08 0.00 0.10 0.00 0.00 175.35 174.89 1z99 n LYS 38 N 3.38 0.96 -2.29 0.00 5.02 -1.24 -3.80 118.16 120.19 1z99 n LYS 38 Ca -0.17 0.36 -0.40 0.00 -2.02 0.00 0.00 58.31 56.07 1z99 n LYS 38 Cb 0.57 -2.01 -0.01 0.00 -0.02 0.00 0.00 35.03 33.56 1z99 n LYS 38 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1z99 n LYS 39 N -0.37 2.81 0.00 1.97 4.81 -1.16 -4.59 118.16 121.63 1z99 n LYS 39 Ca 0.12 -2.97 0.00 0.00 -0.87 0.00 0.00 58.31 54.58 1z99 n LYS 39 Cb 0.44 -3.48 0.00 0.00 0.02 0.00 0.00 35.03 32.02 1z99 n LYS 39 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1z99 n GLY 40 N 5.21 2.73 3.13 3.14 0.00 -1.26 -5.14 105.19 113.00 1z99 n GLY 40 Ca 0.49 0.05 0.03 0.00 0.00 0.00 0.00 46.02 46.59 1z99 n GLY 40 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1z99 s SER 41 N 0.00 -1.43 0.00 1.61 1.04 -1.26 -5.01 113.70 108.64 1z99 s SER 41 Ca 0.00 0.39 0.00 0.00 0.48 0.00 0.00 55.95 56.82 1z99 s SER 41 Cb 0.00 2.02 0.00 0.00 0.10 0.00 0.00 66.02 68.14 1z99 s SER 41 CO 0.00 -0.29 0.00 0.61 0.98 0.00 0.00 173.24 174.54