#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ug8 n SER 2 N 0.00 -9.36 -1.79 1.61 2.88 -1.26 -4.92 113.62 100.78 1ug8 n SER 2 Ca 0.00 1.60 0.00 0.00 -1.33 0.00 0.00 58.87 59.14 1ug8 n SER 2 Cb 0.00 -5.24 0.00 0.00 -0.75 0.00 0.00 64.21 58.22 1ug8 n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1ug8 n SER 3 N 1.95 -8.64 -0.05 -3.46 2.88 -1.26 -4.40 113.62 100.64 1ug8 n SER 3 Ca 0.00 1.24 -0.04 0.00 -1.33 0.00 0.00 58.87 58.74 1ug8 n SER 3 Cb 0.00 -4.60 -0.01 0.00 -0.75 0.00 0.00 64.21 58.85 1ug8 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ug8 n GLY 4 N 0.94 -0.74 0.17 0.46 0.00 -1.26 -2.85 105.19 101.91 1ug8 n GLY 4 Ca 0.00 -0.15 -0.06 0.00 0.00 0.00 0.00 46.02 45.81 1ug8 n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1ug8 h SER 5 N -0.71 -0.58 -0.28 1.61 0.02 -2.01 -1.61 113.55 109.99 1ug8 h SER 5 Ca 0.00 0.06 -0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1ug8 h SER 5 Cb 0.46 0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.20 1ug8 h SER 5 CO 0.00 -0.20 0.17 0.28 -1.14 0.00 0.00 176.83 175.94 1ug8 h SER 6 N -0.26 0.34 -1.73 3.07 0.02 -1.94 -1.97 113.55 111.07 1ug8 h SER 6 Ca -0.00 -0.05 0.50 0.00 -0.84 0.00 0.00 61.79 61.40 1ug8 h SER 6 Cb 0.27 -0.09 -0.07 0.00 0.14 0.00 0.00 62.40 62.65 1ug8 h SER 6 CO -0.11 0.30 1.32 1.23 -1.14 0.00 0.00 176.83 178.42 1ug8 h GLY 7 N 0.36 0.00 0.93 -3.77 0.00 -1.34 1.41 103.07 100.65 1ug8 h GLY 7 Ca 0.10 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.39 1ug8 h GLY 7 CO -0.02 0.00 -0.42 -1.80 0.00 0.00 0.00 176.54 174.30 1ug8 h ASP 8 N 0.00 -1.00 0.93 0.19 1.82 -0.49 -2.37 116.42 115.49 1ug8 h ASP 8 Ca 0.82 0.03 -0.14 0.00 -0.39 0.00 0.00 57.03 57.35 1ug8 h ASP 8 Cb 3.45 0.26 -0.02 0.00 0.68 0.00 0.00 39.33 43.70 1ug8 h ASP 8 CO -0.01 -0.67 -0.69 0.06 -1.61 0.00 0.00 179.24 176.32 1ug8 h GLN 9 N -1.28 0.00 -0.95 0.28 3.07 -0.10 -3.12 115.11 113.01 1ug8 h GLN 9 Ca -0.12 0.00 0.17 0.00 0.09 0.00 0.00 58.65 58.79 1ug8 h GLN 9 Cb 0.91 0.00 -0.08 0.00 0.08 0.00 0.00 27.48 28.39 1ug8 h GLN 9 CO 0.20 0.69 0.60 -0.22 0.09 0.00 0.00 178.83 180.19 1ug8 h LYS 10 N 0.00 0.68 0.01 0.06 3.64 0.17 1.01 116.57 122.13 1ug8 h LYS 10 Ca -0.01 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1ug8 h LYS 10 Cb 1.34 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 1ug8 h LYS 10 CO 0.09 0.45 -0.01 0.87 -2.27 0.00 0.00 179.45 178.58 1ug8 h LYS 11 N 0.70 -0.01 0.10 1.90 1.79 -1.36 -1.86 116.57 117.82 1ug8 h LYS 11 Ca 0.50 0.00 0.02 0.00 -2.18 0.00 0.00 60.65 58.99 1ug8 h LYS 11 Cb 0.85 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.47 1ug8 h LYS 11 CO -0.26 0.64 -0.22 0.35 -1.08 0.00 0.00 179.45 178.88 1ug8 h PHE 12 N -0.69 -0.58 -0.25 -1.35 3.04 -1.16 0.12 116.94 116.07 1ug8 h PHE 12 Ca -0.00 0.01 0.05 0.00 3.98 0.00 0.00 57.97 62.01 1ug8 h PHE 12 Cb 0.66 0.24 -0.05 0.00 2.56 0.00 0.00 35.95 39.37 1ug8 h PHE 12 CO 0.16 -0.32 -0.06 0.97 -2.02 0.00 0.00 178.31 177.04 1ug8 h ILE 13 N -0.41 0.75 -0.08 1.41 6.09 0.89 -1.80 117.51 124.37 1ug8 h ILE 13 Ca 0.03 -0.00 0.04 0.00 -1.37 0.00 0.00 64.86 63.56 1ug8 h ILE 13 Cb 0.43 0.75 -0.06 0.00 0.47 0.00 0.00 36.82 38.41 1ug8 h ILE 13 CO -0.13 0.00 -0.37 0.44 -3.07 0.00 0.00 178.15 175.02 1ug8 h ASP 14 N 0.00 -1.14 -1.07 2.19 5.19 -0.88 0.25 116.42 120.96 1ug8 h ASP 14 Ca 0.12 0.15 0.32 0.00 -0.62 0.00 0.00 57.03 57.00 1ug8 h ASP 14 Cb 0.18 0.46 -0.13 0.00 0.18 0.00 0.00 39.33 40.03 1ug8 h ASP 14 CO -0.26 -0.41 0.65 1.56 -3.12 0.00 0.00 179.24 177.67 1ug8 h GLN 15 N -0.48 0.32 -0.03 3.56 4.20 -0.15 0.41 115.11 122.94 1ug8 h GLN 15 Ca 0.07 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.75 1ug8 h GLN 15 Cb 0.60 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 28.30 1ug8 h GLN 15 CO -0.34 0.21 -0.04 0.28 -0.67 0.00 0.00 178.83 178.27 1ug8 h VAL 16 N 0.33 1.40 -1.00 -0.54 2.07 0.04 -3.14 116.25 115.41 1ug8 h VAL 16 Ca 0.70 -1.24 0.24 0.00 0.82 0.00 0.00 66.70 67.22 1ug8 h VAL 16 Cb 1.74 2.16 -0.19 0.00 -1.52 0.00 0.00 31.29 33.48 1ug8 h VAL 16 CO -0.47 0.33 -0.10 0.40 0.02 0.00 0.00 177.57 177.75 1ug8 h ILE 17 N -0.39 0.00 -0.01 4.57 1.08 0.29 0.49 117.51 123.54 1ug8 h ILE 17 Ca 0.00 -0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.50 1ug8 h ILE 17 Cb 0.56 0.00 -0.06 0.00 -3.07 0.00 0.00 36.82 34.26 1ug8 h ILE 17 CO 0.01 0.00 -0.46 -0.33 -0.69 0.00 0.00 178.15 176.68 1ug8 h GLU 18 N 0.00 -0.58 -0.99 2.37 4.39 -1.34 0.78 114.58 119.20 1ug8 h GLU 18 Ca 0.55 0.04 0.19 0.00 0.34 0.00 0.00 59.36 60.47 1ug8 h GLU 18 Cb 1.01 0.13 -0.10 0.00 -0.10 0.00 0.00 28.75 29.69 1ug8 h GLU 18 CO -0.98 -0.39 0.61 0.87 -1.16 0.00 0.00 179.01 177.97 1ug8 h LYS 19 N -0.60 0.72 -0.19 2.33 1.57 -0.15 0.22 116.57 120.46 1ug8 h LYS 19 Ca 0.04 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 1ug8 h LYS 19 Cb 0.68 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 1ug8 h LYS 19 CO -0.34 0.47 0.03 0.82 -0.57 0.00 0.00 179.45 179.87 1ug8 h ILE 20 N 0.74 1.22 0.05 1.86 2.04 0.11 -1.40 117.51 122.13 1ug8 h ILE 20 Ca 0.56 -0.72 0.02 0.00 1.00 0.00 0.00 64.86 65.72 1ug8 h ILE 20 Cb 0.90 1.34 -0.03 0.00 -0.74 0.00 0.00 36.82 38.29 1ug8 h ILE 20 CO -0.34 0.22 -0.19 -0.33 0.00 0.00 0.00 178.15 177.52 1ug8 h GLU 21 N 0.10 -0.31 -0.50 2.37 5.08 0.32 0.22 114.58 121.84 1ug8 h GLU 21 Ca 0.06 0.02 0.12 0.00 -1.00 0.00 0.00 59.36 58.56 1ug8 h GLU 21 Cb 0.31 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 1ug8 h GLU 21 CO 0.00 -0.21 0.35 0.22 -1.00 0.00 0.00 179.01 178.38 1ug8 h ASP 22 N -0.33 0.12 1.41 1.42 1.82 -0.64 1.91 116.42 122.14 1ug8 h ASP 22 Ca 0.04 0.00 -0.07 0.00 -0.39 0.00 0.00 57.03 56.62 1ug8 h ASP 22 Cb 0.37 -0.02 -0.01 0.00 0.68 0.00 0.00 39.33 40.35 1ug8 h ASP 22 CO -0.14 0.07 -0.32 0.15 -1.61 0.00 0.00 179.24 177.39 1ug8 h PHE 23 N 0.13 0.00 0.03 0.28 3.57 0.13 -2.25 116.94 118.84 1ug8 h PHE 23 Ca 0.24 0.00 -0.34 0.00 3.53 0.00 0.00 57.97 61.40 1ug8 h PHE 23 Cb 0.77 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.46 1ug8 h PHE 23 CO -0.00 0.32 -2.00 1.28 -2.23 0.00 0.00 178.31 175.68 1ug8 n LEU 24 N -3.25 1.43 -0.11 0.59 4.77 0.17 -4.15 117.00 116.44 1ug8 n LEU 24 Ca 0.02 0.22 -0.07 0.00 -0.03 0.00 0.00 56.01 56.15 1ug8 n LEU 24 Cb 0.60 -0.24 0.10 0.00 -2.33 0.00 0.00 43.42 41.55 1ug8 n LEU 24 CO 0.37 0.60 0.77 0.06 -1.33 0.00 0.00 177.39 177.86 1ug8 h GLN 25 N 0.02 0.83 -7.15 3.23 3.07 0.27 -3.43 115.11 111.94 1ug8 h GLN 25 Ca -0.40 -0.29 -0.50 0.00 0.09 0.00 0.00 58.65 57.54 1ug8 h GLN 25 Cb 2.05 -0.06 0.09 0.00 0.08 0.00 0.00 27.48 29.64 1ug8 h GLN 25 CO 0.05 0.91 0.40 0.45 0.09 0.00 0.00 178.83 180.73 1ug8 s SER 26 N -6.69 5.41 -0.05 0.06 0.15 -0.85 -5.01 113.70 106.72 1ug8 s SER 26 Ca -0.10 2.06 -0.04 0.00 0.70 0.00 0.00 55.95 58.58 1ug8 s SER 26 Cb 0.14 -2.56 -0.01 0.00 -1.71 0.00 0.00 66.02 61.87 1ug8 s SER 26 CO 0.83 -1.43 -0.07 1.21 1.20 0.00 0.00 173.24 174.99 1ug8 n GLU 27 N -1.92 0.15 -0.30 5.44 2.13 -1.26 -4.47 120.64 120.40 1ug8 n GLU 27 Ca 0.11 0.28 0.04 0.00 0.66 0.00 0.00 57.16 58.25 1ug8 n GLU 27 Cb 0.52 -1.00 0.11 0.00 0.27 0.00 0.00 31.44 31.34 1ug8 n GLU 27 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1ug8 h GLU 28 N -0.32 0.00 -6.00 5.31 5.08 -1.96 -3.40 114.58 113.28 1ug8 h GLU 28 Ca 0.00 -0.00 -0.82 0.00 -1.00 0.00 0.00 59.36 57.54 1ug8 h GLU 28 Cb 0.20 -0.00 0.04 0.00 0.50 0.00 0.00 28.75 29.48 1ug8 h GLU 28 CO 0.00 0.00 0.29 1.63 -1.00 0.00 0.00 179.01 179.93 1ug8 n LYS 29 N -5.55 0.01 -0.01 2.33 5.02 -1.26 -4.83 118.16 113.87 1ug8 n LYS 29 Ca 0.13 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.41 1ug8 n LYS 29 Cb 0.44 -1.51 -0.01 0.00 -0.02 0.00 0.00 35.03 33.93 1ug8 n LYS 29 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1ug8 n ARG 30 N 2.40 1.25 -3.73 1.97 5.12 -1.26 -4.98 116.66 117.43 1ug8 n ARG 30 Ca 0.24 0.01 -0.13 0.00 -1.93 0.00 0.00 57.85 56.04 1ug8 n ARG 30 Cb 0.03 -1.05 -0.13 0.00 -1.16 0.00 0.00 32.46 30.15 1ug8 n ARG 30 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 1ug8 s SER 31 N -3.92 -0.23 0.26 0.55 0.01 -1.26 -1.19 113.70 107.93 1ug8 s SER 31 Ca -0.03 0.50 0.00 0.00 1.31 0.00 0.00 55.95 57.73 1ug8 s SER 31 Cb 0.01 0.39 -0.04 0.00 0.21 0.00 0.00 66.02 66.59 1ug8 s SER 31 CO 0.07 -0.17 0.45 -0.22 0.41 0.00 0.00 173.24 173.78 1ug8 s LEU 32 N 1.28 4.16 -0.16 2.44 2.96 0.34 -4.91 118.68 124.79 1ug8 s LEU 32 Ca -0.09 0.38 -0.00 0.00 -0.22 0.00 0.00 54.13 54.20 1ug8 s LEU 32 Cb -0.11 -3.19 0.04 0.00 0.50 0.00 0.00 46.19 43.44 1ug8 s LEU 32 CO -0.08 -0.14 -0.06 -1.61 -1.32 0.00 0.00 176.35 173.14 1ug8 s GLU 33 N -3.78 1.45 0.65 1.98 2.02 -1.26 -0.31 118.70 119.45 1ug8 s GLU 33 Ca 0.39 -0.49 0.03 0.00 0.02 0.00 0.00 54.97 54.91 1ug8 s GLU 33 Cb -0.10 -1.96 0.10 0.00 0.10 0.00 0.00 34.13 32.26 1ug8 s GLU 33 CO 0.31 -0.41 0.89 -0.51 0.02 0.00 0.00 175.26 175.56 1ug8 s LEU 34 N 1.64 3.08 0.33 1.80 1.43 -0.24 -5.02 118.68 121.71 1ug8 s LEU 34 Ca 0.01 -0.46 -0.11 0.00 -1.03 0.00 0.00 54.13 52.54 1ug8 s LEU 34 Cb -0.15 -2.02 -0.07 0.00 0.03 0.00 0.00 46.19 43.98 1ug8 s LEU 34 CO -0.08 -1.58 0.70 1.51 0.23 0.00 0.00 176.35 177.13 1ug8 s ASP 35 N -4.66 6.62 -0.27 2.29 -4.77 -1.26 -4.25 116.67 110.37 1ug8 s ASP 35 Ca 0.63 1.11 -0.29 0.00 -3.30 0.00 0.00 52.55 50.71 1ug8 s ASP 35 Cb -0.06 -2.31 -0.00 0.00 -1.09 0.00 0.00 42.92 39.46 1ug8 s ASP 35 CO 0.42 -0.25 1.33 -2.16 0.70 0.00 0.00 175.17 175.20 1ug8 s PRO 36 N -3.33 3.95 0.64 2.11 0.04 -1.26 -4.32 135.00 132.82 1ug8 s PRO 36 Ca 0.51 1.36 -0.11 0.00 0.04 0.00 0.00 61.00 62.79 1ug8 s PRO 36 Cb -0.10 -3.88 -0.03 0.00 0.04 0.00 0.00 34.50 30.53 1ug8 s PRO 36 CO 0.24 -1.08 1.04 0.00 0.04 0.00 0.00 177.00 177.24 1ug8 h THR 38 N -0.34 0.24 0.00 0.00 1.03 -1.97 -3.46 112.91 108.41 1ug8 h THR 38 Ca -0.44 -0.54 0.00 0.00 -0.01 0.00 0.00 66.41 65.42 1ug8 h THR 38 Cb 1.20 1.43 0.00 0.00 -1.07 0.00 0.00 68.15 69.70 1ug8 h THR 38 CO 0.60 0.07 0.00 0.61 -0.01 0.00 0.00 175.52 176.79 1ug8 n GLY 39 N -0.32 2.08 0.42 2.99 0.00 -1.26 -4.98 105.19 104.12 1ug8 n GLY 39 Ca -0.01 -0.25 -0.15 0.00 0.00 0.00 0.00 46.02 45.62 1ug8 n GLY 39 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1ug8 h PHE 40 N 0.00 -1.31 -0.52 1.61 3.57 -2.01 -2.19 116.94 116.09 1ug8 h PHE 40 Ca 0.00 0.03 0.11 0.00 3.53 0.00 0.00 57.97 61.63 1ug8 h PHE 40 Cb 0.00 0.55 -0.10 0.00 2.79 0.00 0.00 35.95 39.18 1ug8 h PHE 40 CO 0.00 -0.54 -0.16 1.96 -2.23 0.00 0.00 178.31 177.34 1ug8 h GLN 41 N -0.71 -0.04 -0.87 1.11 1.08 -1.94 -0.49 115.11 113.25 1ug8 h GLN 41 Ca -0.02 0.00 0.15 0.00 -1.45 0.00 0.00 58.65 57.34 1ug8 h GLN 41 Cb 0.69 0.01 -0.15 0.00 -0.05 0.00 0.00 27.48 27.97 1ug8 h GLN 41 CO -0.20 -0.02 -0.32 -0.09 -0.95 0.00 0.00 178.83 177.24 1ug8 h ARG 42 N -0.04 -0.04 -0.92 1.46 2.43 -1.76 1.27 114.38 116.79 1ug8 h ARG 42 Ca 0.25 0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.49 1ug8 h ARG 42 Cb 0.42 0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 29.92 1ug8 h ARG 42 CO -0.56 -0.02 0.58 0.87 -1.51 0.00 0.00 179.97 179.33 1ug8 h LYS 43 N -0.04 1.03 0.20 0.20 1.57 -0.52 -0.84 116.57 118.17 1ug8 h LYS 43 Ca 0.35 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 59.07 1ug8 h LYS 43 Cb 0.61 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 1ug8 h LYS 43 CO -0.90 0.68 -0.17 -0.07 -0.57 0.00 0.00 179.45 178.43 1ug8 h LEU 44 N 1.06 -0.43 0.07 2.94 3.38 0.21 0.54 115.31 123.08 1ug8 h LEU 44 Ca 0.40 0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.43 1ug8 h LEU 44 Cb 0.17 0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.02 1ug8 h LEU 44 CO -0.17 -0.25 -0.52 0.40 0.09 0.00 0.00 178.44 177.98 1ug8 h ILE 45 N -0.38 0.02 -0.85 1.22 2.04 0.23 0.31 117.51 120.10 1ug8 h ILE 45 Ca -0.01 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.97 1ug8 h ILE 45 Cb 0.34 0.02 -0.08 0.00 -0.74 0.00 0.00 36.82 36.36 1ug8 h ILE 45 CO -0.02 0.00 0.47 1.88 0.00 0.00 0.00 178.15 180.48 1ug8 h TYR 46 N -0.71 0.85 0.28 1.37 0.05 -0.99 0.22 116.97 118.03 1ug8 h TYR 46 Ca 0.01 0.03 -0.00 0.00 0.05 0.00 0.00 58.73 58.82 1ug8 h TYR 46 Cb 0.74 -0.25 -0.02 0.00 1.01 0.00 0.00 36.73 38.21 1ug8 h TYR 46 CO -0.47 0.29 -0.25 1.96 -1.05 0.00 0.00 178.16 178.64 1ug8 h GLN 47 N 0.74 -0.53 0.91 4.88 4.20 0.14 0.27 115.11 125.71 1ug8 h GLN 47 Ca 0.43 0.04 -0.04 0.00 0.06 0.00 0.00 58.65 59.14 1ug8 h GLN 47 Cb 0.49 0.12 0.01 0.00 0.30 0.00 0.00 27.48 28.40 1ug8 h GLN 47 CO -0.29 -0.36 -0.46 1.15 -0.67 0.00 0.00 178.83 178.20 1ug8 h THR 48 N -0.55 0.00 -0.28 -0.54 2.02 0.28 -1.50 112.91 112.34 1ug8 h THR 48 Ca -0.01 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.25 1ug8 h THR 48 Cb 0.50 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.90 1ug8 h THR 48 CO -0.04 0.00 0.53 -0.07 0.37 0.00 0.00 175.52 176.31 1ug8 h LEU 49 N -1.25 0.00 -0.89 2.58 3.38 -0.57 1.62 115.31 120.19 1ug8 h LEU 49 Ca -0.12 0.00 0.11 0.00 0.09 0.00 0.00 57.88 57.96 1ug8 h LEU 49 Cb 0.96 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.63 1ug8 h LEU 49 CO 0.19 0.00 0.52 -1.28 0.09 0.00 0.00 178.44 177.96 1ug8 h SER 50 N 0.00 0.73 0.00 -0.43 0.87 0.65 0.42 113.55 115.79 1ug8 h SER 50 Ca 0.13 0.06 -0.17 0.00 -1.23 0.00 0.00 61.79 60.57 1ug8 h SER 50 Cb 1.18 -0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 63.03 1ug8 h SER 50 CO -0.00 0.39 -1.65 -2.67 -0.53 0.00 0.00 176.83 172.36 1ug8 n TRP 51 N -4.72 0.00 -0.07 2.24 4.27 0.12 -3.71 117.44 115.57 1ug8 n TRP 51 Ca 0.16 0.00 0.03 0.00 -3.89 0.00 0.00 57.50 53.80 1ug8 n TRP 51 Cb 0.33 -0.47 0.37 0.00 -1.36 0.00 0.00 31.31 30.19 1ug8 n TRP 51 CO 0.00 0.00 0.00 0.87 -2.29 0.00 0.00 177.69 176.27 1ug8 h LYS 52 N 0.00 0.68 -1.21 -2.67 1.57 0.22 -3.36 116.57 111.79 1ug8 h LYS 52 Ca -0.26 -0.04 -0.20 0.00 -1.87 0.00 0.00 60.65 58.28 1ug8 h LYS 52 Cb 1.55 -0.15 -0.20 0.00 0.08 0.00 0.00 32.23 33.51 1ug8 h LYS 52 CO 0.00 0.45 -0.56 0.71 -0.57 0.00 0.00 179.45 179.49 1ug8 s TYR 53 N -5.60 -1.24 -0.08 -1.35 2.02 0.15 -4.95 117.35 106.29 1ug8 s TYR 53 Ca -0.09 -0.70 -0.27 0.00 -0.37 0.00 0.00 57.07 55.64 1ug8 s TYR 53 Cb 0.18 0.13 -0.23 0.00 -0.40 0.00 0.00 41.96 41.64 1ug8 s TYR 53 CO 0.75 -1.20 0.99 -1.00 -1.57 0.00 0.00 175.55 173.52 1ug8 h PRO 54 N 5.41 -0.01 -4.68 -1.71 0.13 -1.62 -3.42 132.00 126.10 1ug8 h PRO 54 Ca 0.09 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.62 1ug8 h PRO 54 Cb 1.09 0.00 -0.36 0.00 0.13 0.00 0.00 31.00 31.87 1ug8 h PRO 54 CO 0.07 0.72 -0.83 -1.59 -0.23 0.00 0.00 178.00 176.14 1ug8 s LYS 55 N -3.19 2.26 0.00 0.86 0.00 -1.26 -4.74 119.74 113.67 1ug8 s LYS 55 Ca -0.17 -0.55 0.00 0.00 0.00 0.00 0.00 55.97 55.25 1ug8 s LYS 55 Cb -0.01 -2.04 0.00 0.00 0.00 0.00 0.00 37.83 35.79 1ug8 s LYS 55 CO 0.66 -0.19 0.00 0.41 0.00 0.00 0.00 175.35 176.23 1ug8 n GLY 56 N 4.62 2.76 3.24 0.59 0.00 -1.26 -5.06 105.19 110.09 1ug8 n GLY 56 Ca -0.17 -0.34 -0.14 0.00 0.00 0.00 0.00 46.02 45.37 1ug8 n GLY 56 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1ug8 s ILE 57 N 0.00 1.02 -0.28 -0.61 -5.25 -1.26 0.57 121.20 115.39 1ug8 s ILE 57 Ca 0.00 -2.03 0.00 0.00 -0.99 0.00 0.00 60.65 57.63 1ug8 s ILE 57 Cb 0.00 -1.90 0.09 0.00 2.95 0.00 0.00 42.46 43.59 1ug8 s ILE 57 CO 0.00 -0.70 0.04 -2.28 -1.79 0.00 0.00 174.94 170.22 1ug8 s HIS 58 N -3.42 2.25 -0.59 1.37 2.46 0.91 -4.80 115.29 113.48 1ug8 s HIS 58 Ca 0.18 -1.92 -0.28 0.00 0.47 0.00 0.00 55.06 53.51 1ug8 s HIS 58 Cb 0.04 -1.86 0.02 0.00 -0.13 0.00 0.00 32.58 30.64 1ug8 s HIS 58 CO 0.01 -0.84 1.36 0.08 -2.47 0.00 0.00 174.74 172.88 1ug8 s VAL 59 N 1.43 3.82 0.24 0.89 1.01 -1.26 -1.70 120.40 124.84 1ug8 s VAL 59 Ca 0.05 0.68 0.08 0.00 0.00 0.00 0.00 61.98 62.79 1ug8 s VAL 59 Cb -0.18 -4.55 -0.04 0.00 0.00 0.00 0.00 36.38 31.61 1ug8 s VAL 59 CO -0.15 -1.29 0.08 -1.83 0.00 0.00 0.00 175.10 171.91 1ug8 s GLU 60 N 5.46 2.59 -0.36 2.72 -1.05 0.20 -4.88 118.70 123.38 1ug8 s GLU 60 Ca 0.48 -1.21 -0.01 0.00 -0.15 0.00 0.00 54.97 54.08 1ug8 s GLU 60 Cb -0.10 -2.37 0.09 0.00 -0.44 0.00 0.00 34.13 31.31 1ug8 s GLU 60 CO 0.24 0.40 0.10 0.99 0.95 0.00 0.00 175.26 177.94 1ug8 s THR 61 N -2.15 3.01 0.01 1.83 2.01 -1.26 0.16 115.64 119.25 1ug8 s THR 61 Ca 0.31 -1.86 -0.21 0.00 0.31 0.00 0.00 61.69 60.24 1ug8 s THR 61 Cb -0.07 -2.96 -0.05 0.00 0.01 0.00 0.00 72.50 69.42 1ug8 s THR 61 CO 0.22 -0.46 0.63 -0.76 -0.69 0.00 0.00 174.62 173.55 1ug8 s LEU 62 N 1.14 4.42 0.07 4.42 1.43 -0.14 -4.81 118.68 125.21 1ug8 s LEU 62 Ca 0.04 1.21 0.03 0.00 -1.03 0.00 0.00 54.13 54.38 1ug8 s LEU 62 Cb -0.21 -2.98 -0.04 0.00 0.03 0.00 0.00 46.19 42.99 1ug8 s LEU 62 CO -0.04 0.09 0.08 -0.70 0.23 0.00 0.00 176.35 176.01 1ug8 s GLU 63 N -0.17 2.92 0.00 1.70 2.12 -1.26 -1.07 118.70 122.94 1ug8 s GLU 63 Ca 0.32 -0.66 0.00 0.00 0.36 0.00 0.00 54.97 55.00 1ug8 s GLU 63 Cb -0.19 -2.75 0.00 0.00 0.26 0.00 0.00 34.13 31.45 1ug8 s GLU 63 CO 0.18 0.58 0.00 -2.37 -0.54 0.00 0.00 175.26 173.11 1ug8 n THR 64 N 0.54 0.00 0.89 -1.70 5.66 -1.26 -4.79 114.28 113.62 1ug8 n THR 64 Ca -0.09 0.00 0.12 0.00 -3.05 0.00 0.00 64.05 61.03 1ug8 n THR 64 Cb 0.52 0.00 0.22 0.00 -1.55 0.00 0.00 70.33 69.51 1ug8 n THR 64 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1ug8 n ASP 65 N 0.00 0.55 -0.06 1.09 8.00 -1.26 -0.67 116.55 124.20 1ug8 n ASP 65 Ca 0.00 -0.18 -0.16 0.00 0.71 0.00 0.00 54.79 55.16 1ug8 n ASP 65 Cb 0.00 0.28 -0.14 0.00 -0.02 0.00 0.00 41.12 41.24 1ug8 n ASP 65 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 1ug8 n LYS 66 N -1.65 0.69 -0.05 -1.24 2.85 -1.26 -4.73 118.16 112.76 1ug8 n LYS 66 Ca 0.05 0.19 -0.06 0.00 -1.05 0.00 0.00 58.31 57.44 1ug8 n LYS 66 Cb 0.36 -1.63 -0.02 0.00 -0.65 0.00 0.00 35.03 33.10 1ug8 n LYS 66 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1ug8 n LYS 67 N -3.22 0.34 -1.65 -1.58 4.76 -1.25 -5.11 118.16 110.44 1ug8 n LYS 67 Ca -0.35 0.13 -0.01 0.00 -2.87 0.00 0.00 58.31 55.22 1ug8 n LYS 67 Cb 1.05 -1.08 -0.00 0.00 -1.84 0.00 0.00 35.03 33.15 1ug8 n LYS 67 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 1ug8 n GLU 68 N -3.84 -0.56 -3.68 1.97 0.00 0.16 -4.59 120.64 110.09 1ug8 n GLU 68 Ca -0.09 0.86 -0.25 0.00 0.00 0.00 0.00 57.16 57.68 1ug8 n GLU 68 Cb 0.33 -1.56 0.00 0.00 0.00 0.00 0.00 31.44 30.22 1ug8 n GLU 68 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 1ug8 n ARG 69 N 0.18 -1.02 -4.26 5.31 0.63 -1.16 -4.69 116.66 111.65 1ug8 n ARG 69 Ca -0.04 0.43 -0.31 0.00 -0.92 0.00 0.00 57.85 57.01 1ug8 n ARG 69 Cb 0.06 -1.78 -0.09 0.00 0.45 0.00 0.00 32.46 31.10 1ug8 n ARG 69 CO 0.00 0.00 0.00 -3.38 -2.51 0.00 0.00 177.63 171.74 1ug8 s HIS 70 N -3.06 2.89 0.32 -0.14 -3.43 -0.24 -4.54 115.29 107.09 1ug8 s HIS 70 Ca 0.10 -0.06 -0.27 0.00 -0.80 0.00 0.00 55.06 54.03 1ug8 s HIS 70 Cb -0.06 -1.53 -0.09 0.00 -1.43 0.00 0.00 32.58 29.46 1ug8 s HIS 70 CO 0.74 0.43 1.00 0.42 -2.00 0.00 0.00 174.74 175.33 1ug8 s ILE 71 N -1.18 3.94 -0.02 -5.38 1.01 -1.26 -0.96 121.20 117.34 1ug8 s ILE 71 Ca 0.22 1.69 0.00 0.00 0.00 0.00 0.00 60.65 62.56 1ug8 s ILE 71 Cb -0.11 -3.98 0.02 0.00 0.01 0.00 0.00 42.46 38.40 1ug8 s ILE 71 CO 0.13 0.21 0.00 -0.69 0.00 0.00 0.00 174.94 174.60 1ug8 s VAL 72 N -1.47 0.10 -0.37 2.92 1.01 0.43 -1.08 120.40 121.94 1ug8 s VAL 72 Ca 0.49 0.09 -0.13 0.00 0.00 0.00 0.00 61.98 62.43 1ug8 s VAL 72 Cb -0.23 -0.18 0.01 0.00 0.00 0.00 0.00 36.38 35.98 1ug8 s VAL 72 CO 0.29 0.10 0.24 -0.63 0.00 0.00 0.00 175.10 175.11 1ug8 s ILE 73 N 0.78 4.97 -0.18 2.22 1.09 0.58 0.61 121.20 131.28 1ug8 s ILE 73 Ca -0.07 -0.60 -0.05 0.00 -1.10 0.00 0.00 60.65 58.83 1ug8 s ILE 73 Cb -0.10 -3.70 -0.03 0.00 -1.06 0.00 0.00 42.46 37.57 1ug8 s ILE 73 CO -0.02 -0.18 -0.01 -0.44 -0.10 0.00 0.00 174.94 174.19 1ug8 s SER 74 N 1.64 4.87 0.31 3.58 0.01 -0.69 0.13 113.70 123.55 1ug8 s SER 74 Ca 0.04 -0.15 -0.29 0.00 1.31 0.00 0.00 55.95 56.87 1ug8 s SER 74 Cb -0.18 -1.82 -0.13 0.00 0.21 0.00 0.00 66.02 64.10 1ug8 s SER 74 CO 0.09 0.12 1.24 0.29 0.41 0.00 0.00 173.24 175.39 1ug8 n LYS 75 N 3.86 1.92 -4.36 12.44 5.02 -0.33 -0.06 118.16 136.65 1ug8 n LYS 75 Ca -0.17 0.68 -0.18 0.00 -2.02 0.00 0.00 58.31 56.61 1ug8 n LYS 75 Cb 0.52 -2.22 -0.10 0.00 -0.02 0.00 0.00 35.03 33.21 1ug8 n LYS 75 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1ug8 s VAL 76 N -0.91 1.27 0.03 -0.18 1.01 0.19 -4.74 120.40 117.08 1ug8 s VAL 76 Ca 0.58 -2.07 0.01 0.00 0.00 0.00 0.00 61.98 60.50 1ug8 s VAL 76 Cb -0.62 -2.36 -0.02 0.00 0.00 0.00 0.00 36.38 33.38 1ug8 s VAL 76 CO 0.60 -0.33 -0.05 -0.62 0.00 0.00 0.00 175.10 174.70 1ug8 s ASP 77 N -3.35 0.48 -0.10 3.32 2.15 -1.26 -4.59 116.67 113.31 1ug8 s ASP 77 Ca 0.28 -0.57 -0.01 0.00 0.43 0.00 0.00 52.55 52.68 1ug8 s ASP 77 Cb 0.05 0.09 -0.00 0.00 -0.30 0.00 0.00 42.92 42.75 1ug8 s ASP 77 CO 0.09 -0.30 -0.02 -0.33 -0.17 0.00 0.00 175.17 174.44 1ug8 h GLU 78 N 4.43 0.00 -0.86 4.34 5.08 -1.95 -2.81 114.58 122.80 1ug8 h GLU 78 Ca -0.33 0.00 0.16 0.00 -1.00 0.00 0.00 59.36 58.18 1ug8 h GLU 78 Cb 1.20 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 30.29 1ug8 h GLU 78 CO 0.44 0.00 -0.29 0.93 -1.00 0.00 0.00 179.01 179.08 1ug8 h GLU 79 N -0.98 -0.03 0.81 2.33 5.08 -1.99 -0.77 114.58 119.03 1ug8 h GLU 79 Ca 0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.33 1ug8 h GLU 79 Cb 0.07 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1ug8 h GLU 79 CO 0.00 -0.02 -0.46 1.49 -1.00 0.00 0.00 179.01 179.02 1ug8 h GLU 80 N -0.03 -1.13 -6.04 2.33 4.57 -2.00 -3.40 114.58 108.87 1ug8 h GLU 80 Ca 0.37 0.08 -0.60 0.00 -1.18 0.00 0.00 59.36 58.03 1ug8 h GLU 80 Cb 0.62 0.26 0.00 0.00 -0.16 0.00 0.00 28.75 29.46 1ug8 h GLU 80 CO -0.89 -0.75 1.43 -2.13 -1.18 0.00 0.00 179.01 175.48 1ug8 n ARG 81 N -5.37 1.93 -0.01 1.92 3.00 -0.29 -4.85 116.66 112.99 1ug8 n ARG 81 Ca -0.14 0.57 -0.12 0.00 -0.00 0.00 0.00 57.85 58.15 1ug8 n ARG 81 Cb 0.48 -3.05 -0.07 0.00 0.00 0.00 0.00 32.46 29.81 1ug8 n ARG 81 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.63 178.40 1ug8 h SER 82 N 13.80 0.10 0.00 6.15 0.02 -1.78 -3.45 113.55 128.39 1ug8 h SER 82 Ca -0.40 -0.24 0.00 0.00 -0.84 0.00 0.00 61.79 60.31 1ug8 h SER 82 Cb 1.26 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.77 1ug8 h SER 82 CO 0.97 0.31 0.00 0.61 -1.14 0.00 0.00 176.83 177.58 1ug8 n GLY 83 N -0.47 1.61 0.07 -3.77 0.00 -1.26 -4.53 105.19 96.85 1ug8 n GLY 83 Ca -0.07 -0.95 -0.14 0.00 0.00 0.00 0.00 46.02 44.87 1ug8 n GLY 83 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ug8 h PRO 84 N 0.00 0.03 0.14 1.61 0.13 -1.95 -1.79 132.00 130.18 1ug8 h PRO 84 Ca 0.00 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 65.09 1ug8 h PRO 84 Cb 0.00 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.14 1ug8 h PRO 84 CO 0.00 0.77 -0.07 0.66 -0.23 0.00 0.00 178.00 179.14 1ug8 h SER 85 N -0.69 -0.16 -0.08 1.44 4.64 -2.04 -3.34 113.55 113.32 1ug8 h SER 85 Ca -0.00 -0.19 0.04 0.00 -0.47 0.00 0.00 61.79 61.17 1ug8 h SER 85 Cb 0.79 0.04 -0.06 0.00 -0.31 0.00 0.00 62.40 62.86 1ug8 h SER 85 CO 0.01 0.40 -0.38 -1.28 -0.87 0.00 0.00 176.83 174.71 1ug8 h SER 86 N -1.01 -1.17 0.00 4.97 0.87 -1.93 -3.56 113.55 111.73 1ug8 h SER 86 Ca -0.02 0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.70 1ug8 h SER 86 Cb 0.34 0.47 0.00 0.00 -0.44 0.00 0.00 62.40 62.77 1ug8 h SER 86 CO 0.03 -0.41 0.00 0.61 -0.53 0.00 0.00 176.83 176.53