#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 -6.78 -3.72 1.61 7.64 -1.26 -5.04 113.62 106.08 1ug8 n SER 2 Ca 0.00 0.99 -0.10 0.00 1.01 0.00 0.00 58.87 60.77 1ug8 n SER 2 Cb 0.00 -3.56 -0.05 0.00 -1.01 0.00 0.00 64.21 59.59 1ug8 n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1ug8 s SER 3 N -1.18 -0.11 0.10 6.43 0.15 -1.26 -5.06 113.70 112.76 1ug8 s SER 3 Ca -0.03 -0.45 -0.24 0.00 0.70 0.00 0.00 55.95 55.94 1ug8 s SER 3 Cb 0.00 0.43 -0.12 0.00 -1.71 0.00 0.00 66.02 64.63 1ug8 s SER 3 CO 0.42 -0.82 1.70 1.23 1.20 0.00 0.00 173.24 176.97 1ug8 h GLY 4 N 2.49 -0.14 -0.54 9.45 0.00 -1.98 0.13 103.07 112.48 1ug8 h GLY 4 Ca -0.34 0.10 0.19 0.00 0.00 0.00 0.00 47.33 47.28 1ug8 h GLY 4 CO 0.50 -0.09 -0.04 1.76 0.00 0.00 0.00 176.54 178.66 1ug8 h SER 5 N -0.17 -0.48 0.09 0.19 0.02 -2.00 0.92 113.55 112.12 1ug8 h SER 5 Ca 0.02 0.22 -0.14 0.00 -0.84 0.00 0.00 61.79 61.05 1ug8 h SER 5 Cb 0.18 0.41 -0.01 0.00 0.14 0.00 0.00 62.40 63.13 1ug8 h SER 5 CO -0.05 -0.23 -0.49 -1.28 -1.14 0.00 0.00 176.83 173.63 1ug8 h SER 6 N 0.06 0.50 -0.49 3.07 0.87 -1.87 -3.09 113.55 112.60 1ug8 h SER 6 Ca 0.44 -0.25 0.02 0.00 -1.23 0.00 0.00 61.79 60.77 1ug8 h SER 6 Cb 0.79 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 62.58 1ug8 h SER 6 CO -0.76 0.91 0.30 1.23 -0.53 0.00 0.00 176.83 177.99 1ug8 h GLY 7 N 1.15 0.69 0.38 5.77 0.00 0.34 0.65 103.07 112.06 1ug8 h GLY 7 Ca 0.02 -0.23 0.12 0.00 0.00 0.00 0.00 47.33 47.23 1ug8 h GLY 7 CO 0.09 0.21 0.42 -0.55 0.00 0.00 0.00 176.54 176.71 1ug8 h ASP 8 N 0.61 0.55 0.91 0.19 3.32 -0.36 0.14 116.42 121.78 1ug8 h ASP 8 Ca 0.19 0.07 -0.17 0.00 0.02 0.00 0.00 57.03 57.14 1ug8 h ASP 8 Cb -0.02 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 1ug8 h ASP 8 CO -0.07 0.28 -0.79 1.56 -1.72 0.00 0.00 179.24 178.50 1ug8 h GLN 9 N 0.67 0.00 -0.36 3.56 1.08 -1.34 -2.87 115.11 115.84 1ug8 h GLN 9 Ca 0.41 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.61 1ug8 h GLN 9 Cb 0.49 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.90 1ug8 h GLN 9 CO -0.30 0.79 0.23 -0.22 -0.95 0.00 0.00 178.83 178.38 1ug8 h LYS 10 N 0.00 0.48 -0.15 1.46 1.63 0.28 0.50 116.57 120.77 1ug8 h LYS 10 Ca -0.01 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.75 1ug8 h LYS 10 Cb 1.46 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 32.97 1ug8 h LYS 10 CO 0.10 0.33 0.05 0.87 -3.45 0.00 0.00 179.45 177.35 1ug8 h LYS 11 N 0.49 0.24 0.62 1.90 1.57 -0.99 -0.50 116.57 119.88 1ug8 h LYS 11 Ca 0.13 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.84 1ug8 h LYS 11 Cb -0.04 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 1ug8 h LYS 11 CO -0.03 0.35 -0.40 0.35 -0.57 0.00 0.00 179.45 179.15 1ug8 h PHE 12 N 0.07 -1.09 -0.87 -1.35 3.04 -1.24 0.37 116.94 115.88 1ug8 h PHE 12 Ca 0.05 -0.01 0.21 0.00 3.98 0.00 0.00 57.97 62.20 1ug8 h PHE 12 Cb 0.21 0.39 -0.12 0.00 2.56 0.00 0.00 35.95 38.99 1ug8 h PHE 12 CO -0.00 -0.59 0.35 0.97 -2.02 0.00 0.00 178.31 177.01 1ug8 h ILE 13 N -0.96 0.47 0.33 1.41 6.09 -0.03 0.14 117.51 124.96 1ug8 h ILE 13 Ca -0.08 -0.13 -0.02 0.00 -1.37 0.00 0.00 64.86 63.27 1ug8 h ILE 13 Cb 0.78 0.07 0.00 0.00 0.47 0.00 0.00 36.82 38.15 1ug8 h ILE 13 CO 0.07 0.07 -0.16 0.44 -3.07 0.00 0.00 178.15 175.50 1ug8 h ASP 14 N 0.37 -0.37 -0.33 2.19 5.19 -0.66 0.46 116.42 123.28 1ug8 h ASP 14 Ca 0.53 -0.00 0.09 0.00 -0.62 0.00 0.00 57.03 57.04 1ug8 h ASP 14 Cb 1.00 0.10 -0.01 0.00 0.18 0.00 0.00 39.33 40.59 1ug8 h ASP 14 CO -0.53 -0.25 0.55 1.56 -3.12 0.00 0.00 179.24 177.44 1ug8 h GLN 15 N -0.46 0.00 0.13 3.56 4.20 0.24 0.47 115.11 123.25 1ug8 h GLN 15 Ca -0.04 0.00 -0.27 0.00 0.06 0.00 0.00 58.65 58.40 1ug8 h GLN 15 Cb 0.35 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.13 1ug8 h GLN 15 CO 0.07 0.00 -1.31 0.28 -0.67 0.00 0.00 178.83 177.20 1ug8 h VAL 16 N 0.00 1.13 -0.30 -0.54 2.07 0.07 -3.32 116.25 115.37 1ug8 h VAL 16 Ca 0.16 -2.45 0.05 0.00 0.82 0.00 0.00 66.70 65.28 1ug8 h VAL 16 Cb 1.24 2.83 -0.08 0.00 -1.52 0.00 0.00 31.29 33.76 1ug8 h VAL 16 CO -0.00 0.72 -0.49 0.40 0.02 0.00 0.00 177.57 178.22 1ug8 h ILE 17 N -0.28 0.06 -0.81 4.57 1.08 0.20 -0.10 117.51 122.24 1ug8 h ILE 17 Ca -0.27 0.00 0.14 0.00 -0.39 0.00 0.00 64.86 64.34 1ug8 h ILE 17 Cb 1.77 0.06 -0.14 0.00 -3.07 0.00 0.00 36.82 35.44 1ug8 h ILE 17 CO 0.09 0.00 -0.32 1.05 -0.69 0.00 0.00 178.15 178.29 1ug8 h GLU 18 N -0.44 -0.06 -0.87 2.37 4.11 -1.56 1.17 114.58 119.30 1ug8 h GLU 18 Ca 0.09 0.00 0.14 0.00 0.07 0.00 0.00 59.36 59.66 1ug8 h GLU 18 Cb 0.62 0.01 -0.09 0.00 0.50 0.00 0.00 28.75 29.79 1ug8 h GLU 18 CO -0.52 -0.04 0.47 0.87 0.07 0.00 0.00 179.01 179.87 1ug8 h LYS 19 N -0.06 0.67 0.51 1.06 1.57 -1.18 0.35 116.57 119.48 1ug8 h LYS 19 Ca 0.32 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 59.04 1ug8 h LYS 19 Cb 0.59 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.75 1ug8 h LYS 19 CO -0.84 0.44 -0.24 0.82 -0.57 0.00 0.00 179.45 179.05 1ug8 h ILE 20 N 0.69 0.00 -0.87 1.86 2.04 0.26 -1.09 117.51 120.40 1ug8 h ILE 20 Ca 0.47 -0.22 0.19 0.00 1.00 0.00 0.00 64.86 66.29 1ug8 h ILE 20 Cb 0.63 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 36.55 1ug8 h ILE 20 CO -0.34 0.00 -0.15 -0.33 0.00 0.00 0.00 178.15 177.33 1ug8 h GLU 21 N -0.90 0.02 -0.27 2.37 4.39 0.59 0.86 114.58 121.64 1ug8 h GLU 21 Ca -0.07 -0.00 0.04 0.00 0.34 0.00 0.00 59.36 59.67 1ug8 h GLU 21 Cb 0.52 -0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.13 1ug8 h GLU 21 CO 0.11 0.01 0.05 0.22 -1.16 0.00 0.00 179.01 178.25 1ug8 h ASP 22 N 0.02 0.01 -0.79 1.42 3.58 -0.31 0.51 116.42 120.86 1ug8 h ASP 22 Ca 0.44 0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.92 1ug8 h ASP 22 Cb 0.73 0.06 -0.04 0.00 1.72 0.00 0.00 39.33 41.80 1ug8 h ASP 22 CO -0.86 0.04 0.45 0.15 -2.88 0.00 0.00 179.24 176.13 1ug8 h PHE 23 N 0.15 1.08 0.00 0.28 3.57 0.16 -0.18 116.94 122.00 1ug8 h PHE 23 Ca 0.12 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.58 1ug8 h PHE 23 Cb 0.13 -0.35 -0.00 0.00 2.79 0.00 0.00 35.95 38.52 1ug8 h PHE 23 CO -0.17 0.74 -0.11 -0.07 -2.23 0.00 0.00 178.31 176.48 1ug8 h LEU 24 N 1.11 0.00 -0.03 0.59 3.38 0.14 -3.02 115.31 117.48 1ug8 h LEU 24 Ca 0.28 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 58.08 1ug8 h LEU 24 Cb 0.01 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.77 1ug8 h LEU 24 CO -0.05 0.11 -0.65 1.56 0.09 0.00 0.00 178.44 179.51 1ug8 h GLN 25 N 0.00 0.48 -7.09 1.13 1.08 0.17 -3.45 115.11 107.43 1ug8 h GLN 25 Ca -0.00 -0.49 -0.54 0.00 -1.45 0.00 0.00 58.65 56.18 1ug8 h GLN 25 Cb 0.72 0.13 0.12 0.00 -0.05 0.00 0.00 27.48 28.40 1ug8 h GLN 25 CO 0.01 1.13 0.49 0.45 -0.95 0.00 0.00 178.83 179.96 1ug8 s SER 26 N -6.82 5.08 -0.16 1.46 0.15 -0.47 -4.98 113.70 107.96 1ug8 s SER 26 Ca -0.13 2.46 -0.13 0.00 0.70 0.00 0.00 55.95 58.86 1ug8 s SER 26 Cb 0.05 -2.61 -0.06 0.00 -1.71 0.00 0.00 66.02 61.69 1ug8 s SER 26 CO 0.84 -1.67 -0.16 -0.62 1.20 0.00 0.00 173.24 172.83 1ug8 n GLU 27 N -1.60 0.49 -0.16 5.44 1.02 -1.26 -4.46 120.64 120.11 1ug8 n GLU 27 Ca 0.14 0.48 -0.05 0.00 -0.02 0.00 0.00 57.16 57.70 1ug8 n GLU 27 Cb 0.49 -1.65 0.01 0.00 -0.02 0.00 0.00 31.44 30.27 1ug8 n GLU 27 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1ug8 h GLU 28 N -1.00 -0.16 -6.04 3.49 4.81 -1.95 -3.41 114.58 110.32 1ug8 h GLU 28 Ca -0.08 0.01 -0.71 0.00 -0.13 0.00 0.00 59.36 58.45 1ug8 h GLU 28 Cb 0.75 0.04 0.09 0.00 0.63 0.00 0.00 28.75 30.25 1ug8 h GLU 28 CO -0.05 -0.11 -0.24 1.63 -0.73 0.00 0.00 179.01 179.52 1ug8 n LYS 29 N -5.42 0.12 -0.01 1.92 5.02 -1.26 -4.87 118.16 113.66 1ug8 n LYS 29 Ca 0.03 0.04 -0.02 0.00 -2.02 0.00 0.00 58.31 56.35 1ug8 n LYS 29 Cb 0.33 -1.27 -0.01 0.00 -0.02 0.00 0.00 35.03 34.06 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 1.23 0.09 -3.78 1.97 5.12 -1.26 -4.99 116.66 115.04 1ug8 n ARG 30 Ca 0.18 0.01 -0.13 0.00 -1.93 0.00 0.00 57.85 55.99 1ug8 n ARG 30 Cb 0.19 -1.05 -0.12 0.00 -1.16 0.00 0.00 32.46 30.32 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 -4.21 -0.24 0.18 0.55 0.01 -1.26 -1.66 113.70 107.06 1ug8 s SER 31 Ca -0.03 0.47 0.04 0.00 1.31 0.00 0.00 55.95 57.74 1ug8 s SER 31 Cb 0.01 0.45 -0.04 0.00 0.21 0.00 0.00 66.02 66.65 1ug8 s SER 31 CO 0.05 -0.10 0.21 -0.22 0.41 0.00 0.00 173.24 173.60 1ug8 s LEU 32 N 0.35 4.02 -0.12 2.44 2.96 0.34 -4.92 118.68 123.76 1ug8 s LEU 32 Ca -0.02 -0.03 -0.01 0.00 -0.22 0.00 0.00 54.13 53.85 1ug8 s LEU 32 Cb -0.03 -2.61 0.03 0.00 0.50 0.00 0.00 46.19 44.08 1ug8 s LEU 32 CO -0.01 0.04 -0.04 -1.61 -1.32 0.00 0.00 176.35 173.40 1ug8 s GLU 33 N -3.31 1.19 0.74 1.98 2.02 -1.26 0.60 118.70 120.66 1ug8 s GLU 33 Ca 0.33 -0.22 -0.04 0.00 0.02 0.00 0.00 54.97 55.06 1ug8 s GLU 33 Cb -0.10 -1.54 0.12 0.00 0.10 0.00 0.00 34.13 32.71 1ug8 s GLU 33 CO 0.26 -0.34 1.03 -0.51 0.02 0.00 0.00 175.26 175.71 1ug8 s LEU 34 N 1.78 2.94 0.48 1.80 1.43 0.02 -5.01 118.68 122.12 1ug8 s LEU 34 Ca 0.04 -0.10 -0.15 0.00 -1.03 0.00 0.00 54.13 52.89 1ug8 s LEU 34 Cb -0.13 -2.30 -0.07 0.00 0.03 0.00 0.00 46.19 43.71 1ug8 s LEU 34 CO -0.07 -1.88 0.92 1.51 0.23 0.00 0.00 176.35 177.05 1ug8 s ASP 35 N -4.69 6.58 -0.29 2.29 1.47 -1.26 -4.32 116.67 116.45 1ug8 s ASP 35 Ca 0.66 1.43 -0.29 0.00 1.18 0.00 0.00 52.55 55.53 1ug8 s ASP 35 Cb -0.06 -2.45 -0.00 0.00 -0.34 0.00 0.00 42.92 40.06 1ug8 s ASP 35 CO 0.45 -0.54 1.34 -2.16 0.68 0.00 0.00 175.17 174.95 1ug8 s PRO 36 N -4.03 3.90 0.75 2.11 0.04 -1.26 -4.44 135.00 132.08 1ug8 s PRO 36 Ca 0.56 1.31 -0.11 0.00 0.04 0.00 0.00 61.00 62.80 1ug8 s PRO 36 Cb -0.10 -3.90 0.05 0.00 0.04 0.00 0.00 34.50 30.59 1ug8 s PRO 36 CO 0.32 -1.14 1.12 0.00 0.04 0.00 0.00 177.00 177.34 1ug8 h THR 38 N -0.82 1.39 0.00 0.00 1.35 -1.96 -3.47 112.91 109.39 1ug8 h THR 38 Ca -0.45 -2.42 0.00 0.00 -0.55 0.00 0.00 66.41 62.99 1ug8 h THR 38 Cb 1.30 2.40 0.00 0.00 -1.73 0.00 0.00 68.15 70.12 1ug8 h THR 38 CO 0.64 0.72 0.00 0.61 -0.25 0.00 0.00 175.52 177.25 1ug8 n GLY 39 N 0.95 -0.38 0.33 5.82 0.00 -1.26 -5.00 105.19 105.65 1ug8 n GLY 39 Ca -0.07 0.31 -0.11 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.16 -0.92 1.61 3.57 -2.00 0.75 116.94 118.79 1ug8 h PHE 40 Ca 0.00 0.04 0.20 0.00 3.53 0.00 0.00 57.97 61.75 1ug8 h PHE 40 Cb 0.00 0.52 -0.07 0.00 2.79 0.00 0.00 35.95 39.19 1ug8 h PHE 40 CO 0.00 -0.38 0.61 1.96 -2.23 0.00 0.00 178.31 178.26 1ug8 h GLN 41 N -0.40 0.44 -0.47 1.11 1.08 -1.96 0.69 115.11 115.59 1ug8 h GLN 41 Ca 0.03 -0.03 0.08 0.00 -1.45 0.00 0.00 58.65 57.28 1ug8 h GLN 41 Cb 0.48 -0.10 -0.07 0.00 -0.05 0.00 0.00 27.48 27.74 1ug8 h GLN 41 CO -0.32 0.29 0.08 -0.09 -0.95 0.00 0.00 178.83 177.84 1ug8 h ARG 42 N 0.45 0.21 0.00 1.46 2.43 -1.23 0.32 114.38 118.01 1ug8 h ARG 42 Ca 0.49 -0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.57 1ug8 h ARG 42 Cb 1.16 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.65 1ug8 h ARG 42 CO -0.20 0.14 -0.37 1.57 -1.51 0.00 0.00 179.97 179.59 1ug8 h LYS 43 N 0.21 0.00 0.12 0.20 2.10 -0.11 -2.47 116.57 116.62 1ug8 h LYS 43 Ca 0.23 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.88 1ug8 h LYS 43 Cb 0.31 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.64 1ug8 h LYS 43 CO -0.32 0.37 -0.06 -0.07 -2.00 0.00 0.00 179.45 177.37 1ug8 h LEU 44 N 0.00 -0.14 -0.53 7.07 3.38 0.09 0.44 115.31 125.61 1ug8 h LEU 44 Ca -0.00 -0.22 0.09 0.00 0.09 0.00 0.00 57.88 57.84 1ug8 h LEU 44 Cb 0.68 0.04 -0.07 0.00 0.09 0.00 0.00 40.66 41.39 1ug8 h LEU 44 CO 0.05 0.15 0.13 0.40 0.09 0.00 0.00 178.44 179.25 1ug8 h ILE 45 N -0.43 0.72 0.41 1.22 2.04 -0.34 0.21 117.51 121.34 1ug8 h ILE 45 Ca -0.02 -0.09 -0.02 0.00 1.00 0.00 0.00 64.86 65.73 1ug8 h ILE 45 Cb 0.35 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 36.86 1ug8 h ILE 45 CO 0.03 0.05 -0.20 1.88 0.00 0.00 0.00 178.15 179.91 1ug8 h TYR 46 N 0.27 -0.51 -0.45 1.37 0.05 -1.30 -0.71 116.97 115.68 1ug8 h TYR 46 Ca 0.27 -0.01 0.09 0.00 0.05 0.00 0.00 58.73 59.13 1ug8 h TYR 46 Cb 0.36 0.17 -0.10 0.00 1.01 0.00 0.00 36.73 38.18 1ug8 h TYR 46 CO -0.22 -0.22 -0.27 1.96 -1.05 0.00 0.00 178.16 178.35 1ug8 h GLN 47 N -0.75 -0.17 0.19 4.88 4.20 0.36 0.85 115.11 124.66 1ug8 h GLN 47 Ca -0.06 0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 1ug8 h GLN 47 Cb 0.52 0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.34 1ug8 h GLN 47 CO 0.09 -0.12 -0.14 1.15 -0.67 0.00 0.00 178.83 179.15 1ug8 h THR 48 N -0.18 0.00 -0.49 -0.54 2.02 -0.57 -1.27 112.91 111.88 1ug8 h THR 48 Ca 0.20 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.53 1ug8 h THR 48 Cb 0.51 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.90 1ug8 h THR 48 CO -0.56 0.00 0.67 -0.07 0.37 0.00 0.00 175.52 175.94 1ug8 h LEU 49 N -0.31 0.00 -1.05 2.58 3.38 -0.82 1.61 115.31 120.71 1ug8 h LEU 49 Ca -0.02 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.06 1ug8 h LEU 49 Cb 0.26 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.93 1ug8 h LEU 49 CO 0.01 0.00 0.63 -1.28 0.09 0.00 0.00 178.44 177.88 1ug8 h SER 50 N 0.00 0.91 0.00 -0.43 0.87 0.20 0.68 113.55 115.77 1ug8 h SER 50 Ca 0.23 0.04 -0.17 0.00 -1.23 0.00 0.00 61.79 60.66 1ug8 h SER 50 Cb 1.58 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 63.36 1ug8 h SER 50 CO -0.00 0.49 -1.65 -2.67 -0.53 0.00 0.00 176.83 172.47 1ug8 n TRP 51 N -4.60 0.00 -0.00 2.24 4.27 0.22 -3.71 117.44 115.86 1ug8 n TRP 51 Ca 0.18 0.00 0.02 0.00 -3.89 0.00 0.00 57.50 53.81 1ug8 n TRP 51 Cb 0.35 -0.46 0.36 0.00 -1.36 0.00 0.00 31.31 30.20 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 0.53 -1.31 -2.67 1.57 0.21 -3.37 116.57 111.53 1ug8 h LYS 52 Ca -0.26 -0.07 -0.24 0.00 -1.87 0.00 0.00 60.65 58.22 1ug8 h LYS 52 Cb 1.54 -0.10 -0.21 0.00 0.08 0.00 0.00 32.23 33.54 1ug8 h LYS 52 CO 0.00 0.45 -0.59 0.71 -0.57 0.00 0.00 179.45 179.45 1ug8 s TYR 53 N -5.24 -1.04 -0.01 -1.35 2.02 0.24 -4.95 117.35 107.02 1ug8 s TYR 53 Ca -0.08 -0.86 -0.21 0.00 -0.37 0.00 0.00 57.07 55.55 1ug8 s TYR 53 Cb 0.16 0.05 -0.22 0.00 -0.40 0.00 0.00 41.96 41.55 1ug8 s TYR 53 CO 0.75 -1.17 1.11 -1.00 -1.57 0.00 0.00 175.55 173.67 1ug8 h PRO 54 N 5.37 0.33 -4.23 -1.71 0.13 -1.62 -3.41 132.00 126.85 1ug8 h PRO 54 Ca 0.10 -0.32 -0.52 0.00 -0.87 0.00 0.00 66.00 64.39 1ug8 h PRO 54 Cb 1.07 0.08 -0.37 0.00 0.13 0.00 0.00 31.00 31.92 1ug8 h PRO 54 CO 0.10 0.99 -0.80 -1.59 -0.23 0.00 0.00 178.00 176.47 1ug8 s LYS 55 N -3.33 1.51 0.00 0.86 0.00 -1.26 -4.78 119.74 112.75 1ug8 s LYS 55 Ca -0.14 -0.25 0.00 0.00 0.00 0.00 0.00 55.97 55.58 1ug8 s LYS 55 Cb 0.03 -1.57 0.00 0.00 0.00 0.00 0.00 37.83 36.29 1ug8 s LYS 55 CO 0.79 -0.26 0.00 0.41 0.00 0.00 0.00 175.35 176.29 1ug8 n GLY 56 N 4.90 2.15 3.34 0.59 0.00 -1.26 -5.03 105.19 109.88 1ug8 n GLY 56 Ca -0.13 -0.22 -0.18 0.00 0.00 0.00 0.00 46.02 45.50 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 0.92 -0.27 -0.61 -5.25 -1.26 -1.32 121.20 113.41 1ug8 s ILE 57 Ca 0.00 -2.01 -0.01 0.00 -0.99 0.00 0.00 60.65 57.64 1ug8 s ILE 57 Cb 0.00 -2.49 0.08 0.00 2.95 0.00 0.00 42.46 43.00 1ug8 s ILE 57 CO 0.00 -0.19 0.05 -2.28 -1.79 0.00 0.00 174.94 170.74 1ug8 s HIS 58 N -3.50 1.70 -0.39 1.37 2.46 -0.67 -4.82 115.29 111.44 1ug8 s HIS 58 Ca 0.32 -1.54 -0.29 0.00 0.47 0.00 0.00 55.06 54.02 1ug8 s HIS 58 Cb 0.07 -1.55 0.02 0.00 -0.13 0.00 0.00 32.58 30.99 1ug8 s HIS 58 CO 0.11 -0.79 1.19 0.08 -2.47 0.00 0.00 174.74 172.86 1ug8 s VAL 59 N 1.62 4.24 0.12 0.89 1.01 -1.26 -1.91 120.40 125.12 1ug8 s VAL 59 Ca 0.04 1.35 0.08 0.00 0.00 0.00 0.00 61.98 63.45 1ug8 s VAL 59 Cb -0.17 -4.41 -0.04 0.00 0.00 0.00 0.00 36.38 31.75 1ug8 s VAL 59 CO -0.17 -0.72 -0.13 -1.83 0.00 0.00 0.00 175.10 172.25 1ug8 s GLU 60 N 4.23 1.98 -0.34 2.72 1.03 0.17 -4.94 118.70 123.55 1ug8 s GLU 60 Ca 0.51 -1.11 -0.01 0.00 0.03 0.00 0.00 54.97 54.39 1ug8 s GLU 60 Cb -0.11 -2.22 0.08 0.00 -0.80 0.00 0.00 34.13 31.08 1ug8 s GLU 60 CO 0.25 0.49 0.07 0.99 -1.33 0.00 0.00 175.26 175.73 1ug8 s THR 61 N -1.24 2.88 0.09 1.83 2.01 -1.26 0.77 115.64 120.71 1ug8 s THR 61 Ca 0.20 -1.81 0.01 0.00 0.31 0.00 0.00 61.69 60.41 1ug8 s THR 61 Cb -0.11 -2.85 -0.04 0.00 0.01 0.00 0.00 72.50 69.52 1ug8 s THR 61 CO 0.13 -0.38 0.21 -0.76 -0.69 0.00 0.00 174.62 173.12 1ug8 s LEU 62 N 1.14 4.26 -0.10 4.42 1.43 -0.78 -4.88 118.68 124.17 1ug8 s LEU 62 Ca 0.02 0.20 0.03 0.00 -1.03 0.00 0.00 54.13 53.34 1ug8 s LEU 62 Cb -0.21 -2.87 0.01 0.00 0.03 0.00 0.00 46.19 43.16 1ug8 s LEU 62 CO -0.04 0.14 -0.17 -0.70 0.23 0.00 0.00 176.35 175.81 1ug8 s GLU 63 N -2.69 2.37 0.00 1.70 2.12 -1.26 0.67 118.70 121.61 1ug8 s GLU 63 Ca 0.34 -0.63 0.00 0.00 0.36 0.00 0.00 54.97 55.04 1ug8 s GLU 63 Cb -0.12 -1.92 0.00 0.00 0.26 0.00 0.00 34.13 32.35 1ug8 s GLU 63 CO 0.27 0.03 0.00 0.25 -0.54 0.00 0.00 175.26 175.27 1ug8 n THR 64 N 3.91 0.00 -0.04 -1.70 -2.24 -1.19 -4.90 114.28 108.11 1ug8 n THR 64 Ca -0.20 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.55 1ug8 n THR 64 Cb 0.52 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.74 1ug8 n THR 64 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1ug8 n ASP 65 N 0.00 1.00 -0.09 3.42 -0.08 -1.26 -4.17 116.55 115.37 1ug8 n ASP 65 Ca 0.00 0.39 -0.17 0.00 -1.51 0.00 0.00 54.79 53.50 1ug8 n ASP 65 Cb 0.00 -0.68 -0.13 0.00 2.34 0.00 0.00 41.12 42.64 1ug8 n ASP 65 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 1ug8 n LYS 66 N -3.54 0.68 0.15 -0.67 2.85 -1.26 -4.19 118.16 112.17 1ug8 n LYS 66 Ca -0.05 0.16 0.06 0.00 -1.05 0.00 0.00 58.31 57.43 1ug8 n LYS 66 Cb 0.18 -1.58 0.53 0.00 -0.65 0.00 0.00 35.03 33.51 1ug8 n LYS 66 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 177.40 178.22 1ug8 h LYS 67 N 0.02 0.23 0.00 -1.58 1.57 -1.99 -3.47 116.57 111.34 1ug8 h LYS 67 Ca -0.52 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.24 1ug8 h LYS 67 Cb 2.00 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 34.26 1ug8 h LYS 67 CO -0.02 0.17 0.00 0.39 -0.57 0.00 0.00 179.45 179.42 1ug8 n GLU 68 N -4.49 0.00 -1.46 3.15 1.02 -1.26 -4.41 120.64 113.18 1ug8 n GLU 68 Ca -0.00 0.00 -0.51 0.00 -0.02 0.00 0.00 57.16 56.62 1ug8 n GLU 68 Cb 0.09 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.44 1ug8 n GLU 68 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1ug8 n ARG 69 N -0.58 1.09 -4.52 3.49 3.00 -1.25 -3.20 116.66 114.69 1ug8 n ARG 69 Ca 0.00 0.31 -0.25 0.00 -0.00 0.00 0.00 57.85 57.91 1ug8 n ARG 69 Cb 0.00 -2.42 -0.17 0.00 0.00 0.00 0.00 32.46 29.87 1ug8 n ARG 69 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.63 174.25 1ug8 s HIS 70 N 6.94 1.54 0.23 -0.14 -3.43 0.21 -4.40 115.29 116.23 1ug8 s HIS 70 Ca 1.09 -0.61 -0.30 0.00 -0.80 0.00 0.00 55.06 54.44 1ug8 s HIS 70 Cb -0.88 -1.14 -0.09 0.00 -1.43 0.00 0.00 32.58 29.04 1ug8 s HIS 70 CO 0.51 -0.32 1.26 0.42 -2.00 0.00 0.00 174.74 174.60 1ug8 s ILE 71 N 0.80 3.25 -0.01 -5.38 1.01 -1.26 -1.87 121.20 117.73 1ug8 s ILE 71 Ca -0.12 1.09 0.03 0.00 0.00 0.00 0.00 60.65 61.65 1ug8 s ILE 71 Cb -0.15 -3.69 -0.01 0.00 0.01 0.00 0.00 42.46 38.61 1ug8 s ILE 71 CO 0.02 0.19 -0.11 -0.69 0.00 0.00 0.00 174.94 174.36 1ug8 s VAL 72 N -0.28 0.86 -0.21 2.92 1.01 0.23 -0.80 120.40 124.13 1ug8 s VAL 72 Ca 0.53 -0.45 -0.03 0.00 0.00 0.00 0.00 61.98 62.02 1ug8 s VAL 72 Cb -0.36 -0.72 -0.01 0.00 0.00 0.00 0.00 36.38 35.29 1ug8 s VAL 72 CO 0.40 0.25 -0.06 -0.63 0.00 0.00 0.00 175.10 175.06 1ug8 s ILE 73 N -0.18 3.30 0.09 2.22 1.09 0.20 0.43 121.20 128.35 1ug8 s ILE 73 Ca 0.03 -0.52 0.05 0.00 -1.10 0.00 0.00 60.65 59.11 1ug8 s ILE 73 Cb -0.05 -2.49 -0.04 0.00 -1.06 0.00 0.00 42.46 38.82 1ug8 s ILE 73 CO -0.00 0.44 -0.01 -0.55 -0.10 0.00 0.00 174.94 174.72 1ug8 s SER 74 N 1.33 4.99 0.05 3.58 0.15 -0.80 0.13 113.70 123.13 1ug8 s SER 74 Ca 0.04 -0.19 -0.31 0.00 0.70 0.00 0.00 55.95 56.19 1ug8 s SER 74 Cb -0.14 -1.17 -0.06 0.00 -1.71 0.00 0.00 66.02 62.94 1ug8 s SER 74 CO -0.03 0.17 1.24 -0.54 1.20 0.00 0.00 173.24 175.29 1ug8 s LYS 75 N -2.33 4.40 0.25 5.44 1.02 -0.67 -1.67 119.74 126.19 1ug8 s LYS 75 Ca 0.26 1.82 0.06 0.00 0.02 0.00 0.00 55.97 58.12 1ug8 s LYS 75 Cb -0.12 -3.38 -0.05 0.00 -0.52 0.00 0.00 37.83 33.76 1ug8 s LYS 75 CO 0.18 -0.33 -0.06 0.08 -0.92 0.00 0.00 175.35 174.30 1ug8 s VAL 76 N 1.30 1.53 -0.00 3.17 1.01 -0.43 -4.85 120.40 122.14 1ug8 s VAL 76 Ca 0.60 -2.12 -0.11 0.00 0.00 0.00 0.00 61.98 60.34 1ug8 s VAL 76 Cb -0.30 -2.34 0.01 0.00 0.00 0.00 0.00 36.38 33.75 1ug8 s VAL 76 CO 0.28 -0.37 0.22 -0.62 0.00 0.00 0.00 175.10 174.62 1ug8 s ASP 77 N -3.39 -0.08 0.01 3.32 2.15 -1.26 -4.58 116.67 112.85 1ug8 s ASP 77 Ca 0.28 -0.08 -0.25 0.00 0.43 0.00 0.00 52.55 52.93 1ug8 s ASP 77 Cb 0.03 0.26 -0.17 0.00 -0.30 0.00 0.00 42.92 42.75 1ug8 s ASP 77 CO 0.10 -0.42 1.26 -0.33 -0.17 0.00 0.00 175.17 175.61 1ug8 h GLU 78 N 4.03 -0.39 0.00 4.34 5.08 -1.94 -0.68 114.58 125.02 1ug8 h GLU 78 Ca -0.30 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 1ug8 h GLU 78 Cb 1.19 0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.52 1ug8 h GLU 78 CO 0.41 -0.07 0.00 0.39 -1.00 0.00 0.00 179.01 178.74 1ug8 n GLU 79 N -5.13 0.00 -0.28 2.33 -0.58 -1.26 -3.84 120.64 111.89 1ug8 n GLU 79 Ca -0.09 0.48 -0.11 0.00 -0.42 0.00 0.00 57.16 57.01 1ug8 n GLU 79 Cb 0.26 -1.31 -0.09 0.00 -0.57 0.00 0.00 31.44 29.73 1ug8 n GLU 79 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 1ug8 h GLU 80 N 0.00 -0.15 -5.07 3.49 4.81 -1.99 -3.34 114.58 112.34 1ug8 h GLU 80 Ca 0.00 0.01 -0.65 0.00 -0.13 0.00 0.00 59.36 58.59 1ug8 h GLU 80 Cb 0.00 0.03 -0.16 0.00 0.63 0.00 0.00 28.75 29.25 1ug8 h GLU 80 CO 0.00 -0.10 -0.24 0.50 -0.73 0.00 0.00 179.01 178.44 1ug8 s ARG 81 N -5.34 3.76 -0.18 1.92 6.06 -0.26 -4.91 118.95 120.00 1ug8 s ARG 81 Ca -0.12 -0.20 -0.07 0.00 -2.50 0.00 0.00 55.73 52.84 1ug8 s ARG 81 Cb 0.09 -3.74 -0.09 0.00 0.06 0.00 0.00 34.95 31.27 1ug8 s ARG 81 CO 0.56 -0.43 -0.22 0.45 -2.50 0.00 0.00 175.30 173.16 1ug8 n SER 82 N 5.40 1.54 0.00 -2.12 2.88 -1.25 -3.95 113.62 116.13 1ug8 n SER 82 Ca -0.08 0.17 0.00 0.00 -1.33 0.00 0.00 58.87 57.62 1ug8 n SER 82 Cb 0.50 -0.50 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1ug8 n SER 82 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ug8 n GLY 83 N 1.99 3.64 3.79 0.46 0.00 -1.26 -5.09 105.19 108.71 1ug8 n GLY 83 Ca -0.35 -1.29 -0.36 0.00 0.00 0.00 0.00 46.02 44.02 1ug8 n GLY 83 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ug8 s PRO 84 N -5.73 4.02 -0.16 1.61 0.04 -1.26 -4.98 135.00 128.54 1ug8 s PRO 84 Ca 0.00 1.46 -0.04 0.00 0.04 0.00 0.00 61.00 62.45 1ug8 s PRO 84 Cb 0.00 -2.37 -0.23 0.00 0.04 0.00 0.00 34.50 31.94 1ug8 s PRO 84 CO 0.00 -0.26 0.19 0.43 0.04 0.00 0.00 177.00 177.40 1ug8 n SER 85 N -0.42 2.08 0.10 6.66 7.64 -1.26 -4.35 113.62 124.07 1ug8 n SER 85 Ca 0.07 0.11 -0.20 0.00 1.01 0.00 0.00 58.87 59.86 1ug8 n SER 85 Cb 0.51 -0.74 -0.12 0.00 -1.01 0.00 0.00 64.21 62.85 1ug8 n SER 85 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1ug8 h SER 86 N 0.04 0.75 0.00 6.43 4.64 -2.08 -3.58 113.55 119.76 1ug8 h SER 86 Ca -0.47 -0.71 0.00 0.00 -0.47 0.00 0.00 61.79 60.14 1ug8 h SER 86 Cb 1.99 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 63.84 1ug8 h SER 86 CO 0.03 1.53 0.00 0.61 -0.87 0.00 0.00 176.83 178.13