#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ug8 s SER 2 N 0.00 2.22 -0.02 1.61 0.01 -1.26 -5.13 113.70 111.13 1ug8 s SER 2 Ca 0.00 -1.26 0.06 0.00 1.31 0.00 0.00 55.95 56.06 1ug8 s SER 2 Cb 0.00 0.17 -0.01 0.00 0.21 0.00 0.00 66.02 66.39 1ug8 s SER 2 CO 0.00 -0.36 -0.20 -0.44 0.41 0.00 0.00 173.24 172.64 1ug8 s SER 3 N 1.92 2.43 -0.05 2.44 0.01 -1.26 -5.07 113.70 114.13 1ug8 s SER 3 Ca 0.12 -0.38 -0.02 0.00 1.31 0.00 0.00 55.95 56.98 1ug8 s SER 3 Cb -0.16 -0.37 -0.01 0.00 0.21 0.00 0.00 66.02 65.69 1ug8 s SER 3 CO -0.23 0.24 -0.04 1.23 0.41 0.00 0.00 173.24 174.85 1ug8 h GLY 4 N 5.76 0.00 0.82 3.44 0.00 -2.00 -3.25 103.07 107.84 1ug8 h GLY 4 Ca -0.37 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 46.92 1ug8 h GLY 4 CO 0.48 0.00 -0.37 1.76 0.00 0.00 0.00 176.54 178.40 1ug8 h SER 5 N -0.38 -0.88 -0.80 0.19 0.02 -1.98 -0.81 113.55 108.91 1ug8 h SER 5 Ca 0.00 0.02 0.09 0.00 -0.84 0.00 0.00 61.79 61.06 1ug8 h SER 5 Cb 0.11 0.23 -0.12 0.00 0.14 0.00 0.00 62.40 62.76 1ug8 h SER 5 CO 0.00 -0.53 -0.51 -1.28 -1.14 0.00 0.00 176.83 173.37 1ug8 h SER 6 N -1.24 -1.82 -0.36 3.07 0.87 -1.99 1.34 113.55 113.42 1ug8 h SER 6 Ca -0.11 0.29 0.08 0.00 -1.23 0.00 0.00 61.79 60.83 1ug8 h SER 6 Cb 0.81 0.82 -0.02 0.00 -0.44 0.00 0.00 62.40 63.57 1ug8 h SER 6 CO 0.17 -0.30 0.25 1.23 -0.53 0.00 0.00 176.83 177.66 1ug8 h GLY 7 N -0.12 0.18 0.63 5.77 0.00 -1.59 0.61 103.07 108.54 1ug8 h GLY 7 Ca 0.18 -0.05 -0.02 0.00 0.00 0.00 0.00 47.33 47.44 1ug8 h GLY 7 CO -0.83 0.04 -0.20 -1.80 0.00 0.00 0.00 176.54 173.75 1ug8 h ASP 8 N 0.13 -0.47 0.43 0.19 1.82 0.30 -2.97 116.42 115.86 1ug8 h ASP 8 Ca 0.17 -0.12 -0.02 0.00 -0.39 0.00 0.00 57.03 56.67 1ug8 h ASP 8 Cb 0.50 0.12 -0.00 0.00 0.68 0.00 0.00 39.33 40.62 1ug8 h ASP 8 CO -0.02 -0.08 -0.10 0.06 -1.61 0.00 0.00 179.24 177.49 1ug8 h GLN 9 N -0.93 0.00 -0.71 0.28 3.07 0.34 -2.35 115.11 114.81 1ug8 h GLN 9 Ca -0.06 0.00 0.05 0.00 0.09 0.00 0.00 58.65 58.73 1ug8 h GLN 9 Cb 0.56 0.00 -0.05 0.00 0.08 0.00 0.00 27.48 28.06 1ug8 h GLN 9 CO 0.09 0.10 0.42 -0.22 0.09 0.00 0.00 178.83 179.31 1ug8 h LYS 10 N 0.00 0.76 -0.32 0.06 1.63 0.35 1.09 116.57 120.14 1ug8 h LYS 10 Ca -0.00 -0.05 -0.06 0.00 -0.85 0.00 0.00 60.65 59.69 1ug8 h LYS 10 Cb 0.34 -0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 31.79 1ug8 h LYS 10 CO 0.01 0.50 -0.03 0.87 -3.45 0.00 0.00 179.45 177.35 1ug8 h LYS 11 N 0.78 0.59 0.55 1.90 1.57 -1.30 0.15 116.57 120.82 1ug8 h LYS 11 Ca 0.31 -0.21 -0.03 0.00 -1.87 0.00 0.00 60.65 58.85 1ug8 h LYS 11 Cb 0.13 -0.04 0.01 0.00 0.08 0.00 0.00 32.23 32.40 1ug8 h LYS 11 CO -0.16 0.75 -0.27 0.35 -0.57 0.00 0.00 179.45 179.55 1ug8 h PHE 12 N 0.38 -0.69 0.11 -1.35 3.04 -1.23 -1.06 116.94 116.14 1ug8 h PHE 12 Ca 0.09 -0.02 0.02 0.00 3.98 0.00 0.00 57.97 62.04 1ug8 h PHE 12 Cb 0.50 0.23 -0.03 0.00 2.56 0.00 0.00 35.95 39.21 1ug8 h PHE 12 CO 0.04 -0.38 -0.25 0.97 -2.02 0.00 0.00 178.31 176.68 1ug8 h ILE 13 N -0.89 0.45 -0.63 1.41 6.09 0.12 -1.94 117.51 122.12 1ug8 h ILE 13 Ca -0.08 0.00 0.11 0.00 -1.37 0.00 0.00 64.86 63.52 1ug8 h ILE 13 Cb 0.62 0.45 -0.12 0.00 0.47 0.00 0.00 36.82 38.25 1ug8 h ILE 13 CO 0.12 0.00 -0.34 -0.78 -3.07 0.00 0.00 178.15 174.08 1ug8 h ASP 14 N -0.44 -1.19 -0.99 2.19 3.58 -0.69 0.82 116.42 119.70 1ug8 h ASP 14 Ca 0.03 0.24 0.23 0.00 0.42 0.00 0.00 57.03 57.95 1ug8 h ASP 14 Cb 0.47 0.59 -0.12 0.00 1.72 0.00 0.00 39.33 42.00 1ug8 h ASP 14 CO -0.15 -0.30 0.58 1.56 -2.88 0.00 0.00 179.24 178.04 1ug8 h GLN 15 N -0.15 0.59 -0.08 0.28 4.20 -0.58 0.11 115.11 119.49 1ug8 h GLN 15 Ca 0.24 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.90 1ug8 h GLN 15 Cb 0.56 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 28.20 1ug8 h GLN 15 CO -0.71 0.39 -0.03 0.28 -0.67 0.00 0.00 178.83 178.09 1ug8 h VAL 16 N 0.61 1.32 -0.96 -0.54 2.07 0.12 -3.00 116.25 115.86 1ug8 h VAL 16 Ca 0.62 -1.02 0.28 0.00 0.82 0.00 0.00 66.70 67.41 1ug8 h VAL 16 Cb 1.12 1.84 -0.17 0.00 -1.52 0.00 0.00 31.29 32.56 1ug8 h VAL 16 CO -0.46 0.28 0.15 0.40 0.02 0.00 0.00 177.57 177.96 1ug8 h ILE 17 N -0.21 0.08 -0.73 4.57 1.08 0.23 1.52 117.51 124.05 1ug8 h ILE 17 Ca 0.02 -0.02 0.12 0.00 -0.39 0.00 0.00 64.86 64.59 1ug8 h ILE 17 Cb 0.46 0.03 -0.08 0.00 -3.07 0.00 0.00 36.82 34.16 1ug8 h ILE 17 CO 0.01 0.01 0.32 -0.33 -0.69 0.00 0.00 178.15 177.47 1ug8 h GLU 18 N 0.05 0.50 -0.24 2.37 4.39 -1.24 0.46 114.58 120.87 1ug8 h GLU 18 Ca 0.62 -0.03 0.01 0.00 0.34 0.00 0.00 59.36 60.31 1ug8 h GLU 18 Cb 1.35 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 29.87 1ug8 h GLU 18 CO -0.84 0.33 0.13 0.87 -1.16 0.00 0.00 179.01 178.34 1ug8 h LYS 19 N 0.51 0.26 1.01 2.33 1.57 0.21 0.13 116.57 122.59 1ug8 h LYS 19 Ca 0.38 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 59.10 1ug8 h LYS 19 Cb 0.51 -0.06 0.01 0.00 0.08 0.00 0.00 32.23 32.77 1ug8 h LYS 19 CO -0.34 0.17 -0.49 0.82 -0.57 0.00 0.00 179.45 179.05 1ug8 h ILE 20 N 0.27 0.01 -0.46 1.86 2.04 -0.26 0.25 117.51 121.22 1ug8 h ILE 20 Ca 0.09 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.01 1ug8 h ILE 20 Cb 0.01 0.01 -0.08 0.00 -0.74 0.00 0.00 36.82 36.01 1ug8 h ILE 20 CO -0.05 0.00 -0.55 -0.33 0.00 0.00 0.00 178.15 177.22 1ug8 h GLU 21 N -1.36 -0.34 -0.44 2.37 4.39 -0.03 0.93 114.58 120.10 1ug8 h GLU 21 Ca -0.14 0.02 0.09 0.00 0.34 0.00 0.00 59.36 59.67 1ug8 h GLU 21 Cb 1.04 0.08 -0.08 0.00 -0.10 0.00 0.00 28.75 29.68 1ug8 h GLU 21 CO 0.23 -0.22 -0.10 0.22 -1.16 0.00 0.00 179.01 177.97 1ug8 h ASP 22 N -0.35 -0.39 -0.91 1.42 3.58 -0.70 0.50 116.42 119.57 1ug8 h ASP 22 Ca 0.08 0.13 0.09 0.00 0.42 0.00 0.00 57.03 57.75 1ug8 h ASP 22 Cb 0.56 0.27 -0.06 0.00 1.72 0.00 0.00 39.33 41.82 1ug8 h ASP 22 CO -0.62 -0.14 0.58 0.15 -2.88 0.00 0.00 179.24 176.34 1ug8 h PHE 23 N 0.01 1.00 -0.29 0.28 3.57 0.18 -0.16 116.94 121.52 1ug8 h PHE 23 Ca 0.21 0.03 -0.15 0.00 3.53 0.00 0.00 57.97 61.59 1ug8 h PHE 23 Cb 0.33 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 1ug8 h PHE 23 CO -0.38 0.47 -0.44 -0.07 -2.23 0.00 0.00 178.31 175.67 1ug8 h LEU 24 N 0.94 0.80 -0.27 0.59 3.38 0.36 -3.11 115.31 117.99 1ug8 h LEU 24 Ca 0.41 -0.38 0.02 0.00 0.09 0.00 0.00 57.88 58.02 1ug8 h LEU 24 Cb 0.35 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1ug8 h LEU 24 CO -0.17 1.13 0.12 1.56 0.09 0.00 0.00 178.44 181.16 1ug8 h GLN 25 N 0.60 0.25 -7.03 1.13 1.08 0.16 -3.42 115.11 107.87 1ug8 h GLN 25 Ca 0.04 -0.02 -0.55 0.00 -1.45 0.00 0.00 58.65 56.68 1ug8 h GLN 25 Cb 1.00 -0.06 0.13 0.00 -0.05 0.00 0.00 27.48 28.50 1ug8 h GLN 25 CO 0.09 0.17 0.62 0.45 -0.95 0.00 0.00 178.83 179.21 1ug8 s SER 26 N -5.36 5.46 -0.16 1.46 0.15 -0.46 -4.97 113.70 109.82 1ug8 s SER 26 Ca -0.13 2.77 -0.12 0.00 0.70 0.00 0.00 55.95 59.16 1ug8 s SER 26 Cb 0.10 -2.64 -0.05 0.00 -1.71 0.00 0.00 66.02 61.72 1ug8 s SER 26 CO 0.70 -1.44 -0.18 -0.62 1.20 0.00 0.00 173.24 172.90 1ug8 n GLU 27 N -0.81 0.48 -0.34 5.44 1.02 -1.26 -4.33 120.64 120.84 1ug8 n GLU 27 Ca 0.09 0.46 0.20 0.00 -0.02 0.00 0.00 57.16 57.89 1ug8 n GLU 27 Cb 0.45 -1.64 0.42 0.00 -0.02 0.00 0.00 31.44 30.64 1ug8 n GLU 27 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 1ug8 h GLU 28 N -1.00 0.46 -6.38 3.49 4.11 -1.95 -3.40 114.58 109.92 1ug8 h GLU 28 Ca -0.06 -0.03 -0.62 0.00 0.07 0.00 0.00 59.36 58.72 1ug8 h GLU 28 Cb 0.72 -0.10 0.04 0.00 0.50 0.00 0.00 28.75 29.91 1ug8 h GLU 28 CO -0.03 0.31 0.81 1.63 0.07 0.00 0.00 179.01 181.79 1ug8 n LYS 29 N -4.96 1.89 -0.03 1.06 5.02 -1.26 -4.84 118.16 115.04 1ug8 n LYS 29 Ca 0.29 0.68 -0.03 0.00 -2.02 0.00 0.00 58.31 57.23 1ug8 n LYS 29 Cb 0.84 -2.44 -0.03 0.00 -0.02 0.00 0.00 35.03 33.38 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 4.15 1.95 -3.73 1.97 5.12 -1.26 -4.95 116.66 119.91 1ug8 n ARG 30 Ca 0.19 0.01 -0.13 0.00 -1.93 0.00 0.00 57.85 56.00 1ug8 n ARG 30 Cb 0.26 -1.12 -0.13 0.00 -1.16 0.00 0.00 32.46 30.31 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 -3.98 -0.22 0.16 0.55 0.01 -1.26 -0.61 113.70 108.35 1ug8 s SER 31 Ca -0.05 0.48 -0.02 0.00 1.31 0.00 0.00 55.95 57.68 1ug8 s SER 31 Cb 0.02 0.37 -0.05 0.00 0.21 0.00 0.00 66.02 66.57 1ug8 s SER 31 CO 0.16 -0.16 0.35 -0.22 0.41 0.00 0.00 173.24 173.78 1ug8 s LEU 32 N 1.28 4.27 -0.12 2.44 2.96 0.12 -4.91 118.68 124.71 1ug8 s LEU 32 Ca -0.09 0.42 0.01 0.00 -0.22 0.00 0.00 54.13 54.25 1ug8 s LEU 32 Cb -0.11 -3.16 0.02 0.00 0.50 0.00 0.00 46.19 43.44 1ug8 s LEU 32 CO -0.08 0.03 -0.15 -1.61 -1.32 0.00 0.00 176.35 173.22 1ug8 s GLU 33 N -2.97 2.24 0.56 1.98 2.02 -1.26 0.57 118.70 121.83 1ug8 s GLU 33 Ca 0.38 -0.56 0.07 0.00 0.02 0.00 0.00 54.97 54.89 1ug8 s GLU 33 Cb -0.12 -1.96 0.07 0.00 0.10 0.00 0.00 34.13 32.22 1ug8 s GLU 33 CO 0.27 -0.13 0.77 -0.51 0.02 0.00 0.00 175.26 175.69 1ug8 s LEU 34 N 1.17 3.22 0.30 1.80 1.43 0.10 -5.01 118.68 121.70 1ug8 s LEU 34 Ca -0.02 -0.63 -0.10 0.00 -1.03 0.00 0.00 54.13 52.34 1ug8 s LEU 34 Cb -0.14 -1.99 -0.07 0.00 0.03 0.00 0.00 46.19 44.02 1ug8 s LEU 34 CO -0.05 -1.27 0.64 1.51 0.23 0.00 0.00 176.35 177.41 1ug8 s ASP 35 N -4.59 6.60 -0.14 2.29 -4.77 -1.26 -4.24 116.67 110.57 1ug8 s ASP 35 Ca 0.61 1.01 -0.29 0.00 -3.30 0.00 0.00 52.55 50.57 1ug8 s ASP 35 Cb -0.07 -2.26 -0.02 0.00 -1.09 0.00 0.00 42.92 39.48 1ug8 s ASP 35 CO 0.38 -0.20 1.26 -2.16 0.70 0.00 0.00 175.17 175.16 1ug8 s PRO 36 N -3.21 4.26 0.83 2.11 0.04 -1.26 -4.31 135.00 133.44 1ug8 s PRO 36 Ca 0.49 1.68 -0.07 0.00 0.04 0.00 0.00 61.00 63.14 1ug8 s PRO 36 Cb -0.11 -3.72 0.16 0.00 0.04 0.00 0.00 34.50 30.87 1ug8 s PRO 36 CO 0.24 -0.65 1.14 0.00 0.04 0.00 0.00 177.00 177.77 1ug8 h THR 38 N -1.01 0.44 0.00 0.00 1.35 -1.97 -3.48 112.91 108.24 1ug8 h THR 38 Ca -0.39 -1.71 0.00 0.00 -0.55 0.00 0.00 66.41 63.76 1ug8 h THR 38 Cb 1.25 2.06 0.00 0.00 -1.73 0.00 0.00 68.15 69.73 1ug8 h THR 38 CO 0.38 0.25 0.00 0.61 -0.25 0.00 0.00 175.52 176.52 1ug8 n GLY 39 N 1.24 1.31 0.28 5.82 0.00 -1.26 -4.99 105.19 107.60 1ug8 n GLY 39 Ca -0.01 -0.13 -0.08 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.15 -0.70 1.61 3.57 -2.00 0.12 116.94 118.38 1ug8 h PHE 40 Ca 0.00 0.07 0.14 0.00 3.53 0.00 0.00 57.97 61.71 1ug8 h PHE 40 Cb 0.00 0.56 -0.10 0.00 2.79 0.00 0.00 35.95 39.20 1ug8 h PHE 40 CO 0.00 -0.28 0.21 1.96 -2.23 0.00 0.00 178.31 177.97 1ug8 h GLN 41 N -0.14 0.32 -0.83 1.11 1.08 -1.97 0.12 115.11 114.80 1ug8 h GLN 41 Ca 0.07 -0.02 0.20 0.00 -1.45 0.00 0.00 58.65 57.45 1ug8 h GLN 41 Cb 0.33 -0.07 -0.15 0.00 -0.05 0.00 0.00 27.48 27.54 1ug8 h GLN 41 CO -0.48 0.21 -0.01 -0.09 -0.95 0.00 0.00 178.83 177.51 1ug8 h ARG 42 N 0.33 0.07 -0.29 1.46 2.43 -1.16 1.28 114.38 118.50 1ug8 h ARG 42 Ca 0.38 -0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.45 1ug8 h ARG 42 Cb 0.60 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.12 1ug8 h ARG 42 CO -0.44 0.05 -0.23 0.87 -1.51 0.00 0.00 179.97 178.71 1ug8 h LYS 43 N 0.07 0.56 -0.66 0.20 1.57 -0.11 -2.22 116.57 115.98 1ug8 h LYS 43 Ca 0.46 -0.21 -0.01 0.00 -1.87 0.00 0.00 60.65 59.02 1ug8 h LYS 43 Cb 0.84 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 33.08 1ug8 h LYS 43 CO -0.75 0.75 0.37 -0.07 -0.57 0.00 0.00 179.45 179.18 1ug8 h LEU 44 N 0.50 0.81 -0.00 2.94 3.38 0.22 0.45 115.31 123.60 1ug8 h LEU 44 Ca 0.07 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1ug8 h LEU 44 Cb 0.67 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 1ug8 h LEU 44 CO 0.05 0.66 0.00 0.40 0.09 0.00 0.00 178.44 179.64 1ug8 h ILE 45 N 0.90 1.02 -0.01 1.22 2.04 0.14 -1.04 117.51 121.78 1ug8 h ILE 45 Ca 0.23 -0.07 -0.00 0.00 1.00 0.00 0.00 64.86 66.02 1ug8 h ILE 45 Cb 0.02 1.07 -0.00 0.00 -0.74 0.00 0.00 36.82 37.16 1ug8 h ILE 45 CO -0.04 0.02 0.01 1.88 0.00 0.00 0.00 178.15 180.02 1ug8 h TYR 46 N -0.03 0.01 -0.35 1.37 0.05 -1.02 -0.53 116.97 116.48 1ug8 h TYR 46 Ca 0.00 -0.00 0.08 0.00 0.05 0.00 0.00 58.73 58.86 1ug8 h TYR 46 Cb 0.03 -0.00 -0.08 0.00 1.01 0.00 0.00 36.73 37.68 1ug8 h TYR 46 CO -0.07 0.05 -0.27 1.96 -1.05 0.00 0.00 178.16 178.78 1ug8 h GLN 47 N -0.03 -0.22 0.29 4.88 1.08 0.05 0.83 115.11 122.00 1ug8 h GLN 47 Ca 0.00 0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.21 1ug8 h GLN 47 Cb 0.04 0.05 -0.00 0.00 -0.05 0.00 0.00 27.48 27.52 1ug8 h GLN 47 CO -0.00 -0.15 -0.18 1.15 -0.95 0.00 0.00 178.83 178.71 1ug8 h THR 48 N -0.23 0.00 -0.52 -0.54 2.02 -1.02 -1.67 112.91 110.96 1ug8 h THR 48 Ca 0.17 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.50 1ug8 h THR 48 Cb 0.50 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.89 1ug8 h THR 48 CO -0.48 0.00 0.70 -0.07 0.37 0.00 0.00 175.52 176.04 1ug8 h LEU 49 N -0.44 0.00 -0.80 2.58 3.38 -0.87 1.71 115.31 120.88 1ug8 h LEU 49 Ca -0.04 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.06 1ug8 h LEU 49 Cb 0.35 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.01 1ug8 h LEU 49 CO 0.04 0.00 0.40 -1.28 0.09 0.00 0.00 178.44 177.69 1ug8 h SER 50 N 0.00 0.48 0.00 -0.43 0.87 0.17 0.30 113.55 114.94 1ug8 h SER 50 Ca 0.24 0.08 -0.18 0.00 -1.23 0.00 0.00 61.79 60.71 1ug8 h SER 50 Cb 1.65 0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 63.58 1ug8 h SER 50 CO -0.00 0.23 -1.67 -2.67 -0.53 0.00 0.00 176.83 172.19 1ug8 n TRP 51 N -4.88 0.00 0.17 2.24 4.27 0.17 -3.83 117.44 115.58 1ug8 n TRP 51 Ca 0.15 0.00 -0.14 0.00 -3.89 0.00 0.00 57.50 53.62 1ug8 n TRP 51 Cb 0.38 -0.47 -0.07 0.00 -1.36 0.00 0.00 31.31 29.78 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 -0.41 -2.21 -2.67 1.57 0.23 -3.37 116.57 109.71 1ug8 h LYS 52 Ca -0.26 0.03 -0.58 0.00 -1.87 0.00 0.00 60.65 57.97 1ug8 h LYS 52 Cb 1.56 0.09 -0.38 0.00 0.08 0.00 0.00 32.23 33.58 1ug8 h LYS 52 CO 0.00 -0.27 -1.03 0.66 -0.57 0.00 0.00 179.45 178.24 1ug8 n TYR 53 N -5.30 -0.70 -0.00 -1.35 4.01 0.10 -4.96 117.16 108.96 1ug8 n TYR 53 Ca -0.09 -3.41 -0.17 0.00 -0.16 0.00 0.00 57.90 54.07 1ug8 n TYR 53 Cb 0.21 0.02 -0.10 0.00 -0.31 0.00 0.00 39.34 39.16 1ug8 n TYR 53 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1ug8 h PRO 54 N 4.97 0.50 -4.18 -0.72 0.13 -1.56 -3.43 132.00 127.70 1ug8 h PRO 54 Ca 0.19 -0.48 -0.52 0.00 -0.87 0.00 0.00 66.00 64.32 1ug8 h PRO 54 Cb 0.90 0.12 -0.37 0.00 0.13 0.00 0.00 31.00 31.78 1ug8 h PRO 54 CO 0.41 1.12 -0.80 -1.59 -0.23 0.00 0.00 178.00 176.91 1ug8 s LYS 55 N -3.39 1.43 0.00 0.86 -2.85 -1.26 -4.78 119.74 109.75 1ug8 s LYS 55 Ca -0.13 -0.22 0.00 0.00 -1.00 0.00 0.00 55.97 54.63 1ug8 s LYS 55 Cb 0.05 -1.51 0.00 0.00 -2.06 0.00 0.00 37.83 34.31 1ug8 s LYS 55 CO 0.84 -0.26 0.00 0.41 0.10 0.00 0.00 175.35 176.44 1ug8 n GLY 56 N 4.92 2.35 3.35 0.59 0.00 -1.26 -4.99 105.19 110.16 1ug8 n GLY 56 Ca -0.12 -0.26 -0.18 0.00 0.00 0.00 0.00 46.02 45.46 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 1.27 -0.21 -0.61 -5.25 -1.26 -1.01 121.20 114.14 1ug8 s ILE 57 Ca 0.00 -2.07 0.01 0.00 -0.99 0.00 0.00 60.65 57.59 1ug8 s ILE 57 Cb 0.00 -2.31 0.05 0.00 2.95 0.00 0.00 42.46 43.15 1ug8 s ILE 57 CO 0.00 -0.37 -0.07 -2.28 -1.79 0.00 0.00 174.94 170.43 1ug8 s HIS 58 N -3.26 2.27 -0.09 1.37 2.46 -0.65 -4.81 115.29 112.58 1ug8 s HIS 58 Ca 0.27 -1.58 -0.15 0.00 0.47 0.00 0.00 55.06 54.08 1ug8 s HIS 58 Cb 0.04 -1.55 -0.05 0.00 -0.13 0.00 0.00 32.58 30.90 1ug8 s HIS 58 CO 0.09 -0.74 0.37 0.08 -2.47 0.00 0.00 174.74 172.07 1ug8 s VAL 59 N 1.44 5.20 -0.01 0.89 1.01 -1.26 -0.33 120.40 127.33 1ug8 s VAL 59 Ca -0.03 0.72 -0.05 0.00 0.00 0.00 0.00 61.98 62.62 1ug8 s VAL 59 Cb -0.17 -3.69 0.00 0.00 0.00 0.00 0.00 36.38 32.52 1ug8 s VAL 59 CO -0.07 0.45 0.10 -1.83 0.00 0.00 0.00 175.10 173.75 1ug8 s GLU 60 N -0.10 0.32 -0.44 2.72 -1.05 0.21 -4.98 118.70 115.37 1ug8 s GLU 60 Ca 0.21 -0.21 -0.13 0.00 -0.15 0.00 0.00 54.97 54.68 1ug8 s GLU 60 Cb -0.15 0.13 0.06 0.00 -0.44 0.00 0.00 34.13 33.74 1ug8 s GLU 60 CO 0.09 -0.06 0.33 0.99 0.95 0.00 0.00 175.26 177.55 1ug8 s THR 61 N -0.82 4.91 -0.06 1.83 2.01 -1.26 0.61 115.64 122.85 1ug8 s THR 61 Ca -0.09 -1.09 -0.03 0.00 0.31 0.00 0.00 61.69 60.79 1ug8 s THR 61 Cb -0.05 -3.91 -0.04 0.00 0.01 0.00 0.00 72.50 68.51 1ug8 s THR 61 CO 0.01 -0.50 0.09 -0.76 -0.69 0.00 0.00 174.62 172.76 1ug8 s LEU 62 N 1.58 4.00 -0.08 4.42 1.43 -0.74 -4.87 118.68 124.42 1ug8 s LEU 62 Ca 0.04 0.26 0.03 0.00 -1.03 0.00 0.00 54.13 53.43 1ug8 s LEU 62 Cb -0.23 -2.12 0.01 0.00 0.03 0.00 0.00 46.19 43.88 1ug8 s LEU 62 CO 0.06 0.34 -0.18 -0.70 0.23 0.00 0.00 176.35 176.10 1ug8 s GLU 63 N -1.31 2.37 0.00 1.70 2.12 -1.26 0.62 118.70 122.94 1ug8 s GLU 63 Ca 0.18 -0.64 0.00 0.00 0.36 0.00 0.00 54.97 54.87 1ug8 s GLU 63 Cb -0.12 -1.85 0.00 0.00 0.26 0.00 0.00 34.13 32.42 1ug8 s GLU 63 CO 0.08 0.10 0.00 0.25 -0.54 0.00 0.00 175.26 175.15 1ug8 n THR 64 N 3.68 0.00 -0.05 -1.70 -2.24 -1.25 -4.83 114.28 107.89 1ug8 n THR 64 Ca -0.21 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.53 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 1.28 -0.02 3.42 -0.08 -1.26 -4.00 116.55 115.88 1ug8 n ASP 65 Ca 0.00 0.45 -0.21 0.00 -1.51 0.00 0.00 54.79 53.52 1ug8 n ASP 65 Cb 0.00 -0.74 -0.13 0.00 2.34 0.00 0.00 41.12 42.59 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 -3.88 0.73 -0.12 -0.67 2.85 -1.26 -4.24 118.16 111.58 1ug8 n LYS 66 Ca -0.06 0.25 -0.07 0.00 -1.05 0.00 0.00 58.31 57.38 1ug8 n LYS 66 Cb 0.23 -1.67 0.01 0.00 -0.65 0.00 0.00 35.03 32.95 1ug8 n LYS 66 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 177.40 177.13 1ug8 h LYS 67 N 0.02 0.39 -2.44 -1.58 3.64 -1.98 -3.48 116.57 111.14 1ug8 h LYS 67 Ca -0.46 -0.02 0.28 0.00 -1.27 0.00 0.00 60.65 59.18 1ug8 h LYS 67 Cb 1.99 -0.09 -0.09 0.00 -0.41 0.00 0.00 32.23 33.63 1ug8 h LYS 67 CO 0.04 0.26 -0.54 0.39 -2.27 0.00 0.00 179.45 177.34 1ug8 n GLU 68 N -4.92 -2.24 -1.53 1.90 1.02 -1.26 -4.47 120.64 109.14 1ug8 n GLU 68 Ca 0.01 1.58 -0.33 0.00 -0.02 0.00 0.00 57.16 58.40 1ug8 n GLU 68 Cb 0.09 -2.70 -0.10 0.00 -0.02 0.00 0.00 31.44 28.71 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 -3.63 0.50 -4.77 3.49 3.00 -1.24 -3.80 116.66 110.22 1ug8 n ARG 69 Ca -0.01 -0.11 -0.27 0.00 -0.00 0.00 0.00 57.85 57.46 1ug8 n ARG 69 Cb 0.49 -2.54 -0.14 0.00 0.00 0.00 0.00 32.46 30.27 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 10.17 1.96 0.17 -0.14 -3.43 0.20 -4.50 115.29 119.73 1ug8 s HIS 70 Ca 1.14 -0.38 -0.30 0.00 -0.80 0.00 0.00 55.06 54.72 1ug8 s HIS 70 Cb -0.62 -1.18 -0.08 0.00 -1.43 0.00 0.00 32.58 29.26 1ug8 s HIS 70 CO 0.35 0.08 1.29 0.42 -2.00 0.00 0.00 174.74 174.89 1ug8 s ILE 71 N -0.76 3.35 -0.02 -5.38 1.01 -1.26 -1.79 121.20 116.34 1ug8 s ILE 71 Ca 0.09 1.08 0.03 0.00 0.00 0.00 0.00 60.65 61.85 1ug8 s ILE 71 Cb -0.09 -3.69 -0.00 0.00 0.01 0.00 0.00 42.46 38.69 1ug8 s ILE 71 CO 0.01 0.15 -0.11 -0.69 0.00 0.00 0.00 174.94 174.30 1ug8 s VAL 72 N 0.29 0.96 0.15 2.92 1.01 0.20 0.03 120.40 125.97 1ug8 s VAL 72 Ca 0.57 -0.47 0.07 0.00 0.00 0.00 0.00 61.98 62.15 1ug8 s VAL 72 Cb -0.35 -0.83 -0.04 0.00 0.00 0.00 0.00 36.38 35.16 1ug8 s VAL 72 CO 0.36 0.28 -0.04 -0.63 0.00 0.00 0.00 175.10 175.08 1ug8 s ILE 73 N 0.02 3.58 0.10 2.22 1.09 0.19 0.63 121.20 129.04 1ug8 s ILE 73 Ca -0.01 -1.40 0.01 0.00 -1.10 0.00 0.00 60.65 58.15 1ug8 s ILE 73 Cb -0.08 -2.76 -0.04 0.00 -1.06 0.00 0.00 42.46 38.52 1ug8 s ILE 73 CO 0.00 -0.05 -0.04 -0.55 -0.10 0.00 0.00 174.94 174.21 1ug8 s SER 74 N -2.72 0.96 -0.14 3.58 0.15 0.55 0.14 113.70 116.21 1ug8 s SER 74 Ca 0.26 -1.05 -0.26 0.00 0.70 0.00 0.00 55.95 55.59 1ug8 s SER 74 Cb -0.10 0.14 -0.02 0.00 -1.71 0.00 0.00 66.02 64.33 1ug8 s SER 74 CO 0.17 -0.53 0.86 -0.54 1.20 0.00 0.00 173.24 174.40 1ug8 s LYS 75 N -3.88 4.35 0.26 5.44 1.02 0.22 -1.63 119.74 125.52 1ug8 s LYS 75 Ca 0.14 1.10 0.06 0.00 0.02 0.00 0.00 55.97 57.29 1ug8 s LYS 75 Cb 0.06 -3.55 -0.06 0.00 -0.52 0.00 0.00 37.83 33.77 1ug8 s LYS 75 CO -0.04 -0.28 -0.06 0.08 -0.92 0.00 0.00 175.35 174.13 1ug8 s VAL 76 N 1.94 1.59 0.02 3.17 1.01 -0.18 -4.82 120.40 123.14 1ug8 s VAL 76 Ca 0.41 -2.13 -0.03 0.00 0.00 0.00 0.00 61.98 60.24 1ug8 s VAL 76 Cb -0.17 -2.38 -0.02 0.00 0.00 0.00 0.00 36.38 33.81 1ug8 s VAL 76 CO 0.15 -0.35 0.03 -0.62 0.00 0.00 0.00 175.10 174.31 1ug8 s ASP 77 N -3.41 0.20 0.04 3.32 2.15 -1.26 -4.51 116.67 113.20 1ug8 s ASP 77 Ca 0.28 -0.48 -0.10 0.00 0.43 0.00 0.00 52.55 52.68 1ug8 s ASP 77 Cb 0.03 0.15 -0.04 0.00 -0.30 0.00 0.00 42.92 42.77 1ug8 s ASP 77 CO 0.11 -0.37 1.17 -0.33 -0.17 0.00 0.00 175.17 175.58 1ug8 h GLU 78 N 4.29 -0.13 -0.85 4.34 3.07 -1.92 -1.63 114.58 121.75 1ug8 h GLU 78 Ca -0.32 0.01 0.12 0.00 -0.50 0.00 0.00 59.36 58.67 1ug8 h GLU 78 Cb 1.20 0.03 -0.14 0.00 -0.84 0.00 0.00 28.75 29.00 1ug8 h GLU 78 CO 0.44 -0.09 -0.43 1.49 -1.40 0.00 0.00 179.01 179.03 1ug8 h GLU 79 N -0.13 -0.07 -0.95 2.33 4.81 -1.98 0.91 114.58 119.50 1ug8 h GLU 79 Ca 0.02 0.00 0.11 0.00 -0.13 0.00 0.00 59.36 59.36 1ug8 h GLU 79 Cb 0.19 0.02 -0.13 0.00 0.63 0.00 0.00 28.75 29.46 1ug8 h GLU 79 CO -0.18 -0.05 -0.49 0.39 -0.73 0.00 0.00 179.01 177.96 1ug8 n GLU 80 N -5.42 -0.34 -1.64 1.92 1.02 -0.68 -4.41 120.64 111.09 1ug8 n GLU 80 Ca 0.06 1.44 -0.41 0.00 -0.02 0.00 0.00 57.16 58.23 1ug8 n GLU 80 Cb 0.36 -2.12 0.01 0.00 -0.02 0.00 0.00 31.44 29.67 1ug8 n GLU 80 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1ug8 n ARG 81 N -5.26 1.53 -0.12 3.49 1.74 0.31 -4.94 116.66 113.41 1ug8 n ARG 81 Ca 0.05 0.55 -0.24 0.00 -0.77 0.00 0.00 57.85 57.44 1ug8 n ARG 81 Cb 0.29 -2.17 -0.11 0.00 -1.02 0.00 0.00 32.46 29.45 1ug8 n ARG 81 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1ug8 n SER 82 N 0.31 1.97 0.00 0.55 2.88 -1.26 -4.64 113.62 113.43 1ug8 n SER 82 Ca 0.09 0.14 0.00 0.00 -1.33 0.00 0.00 58.87 57.76 1ug8 n SER 82 Cb 0.40 -0.66 0.00 0.00 -0.75 0.00 0.00 64.21 63.20 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 1.73 -3.26 3.58 0.46 0.00 -1.26 -4.47 105.19 101.97 1ug8 n GLY 83 Ca -0.48 -0.38 -0.36 0.00 0.00 0.00 0.00 46.02 44.81 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 0.00 3.24 -0.11 1.61 0.04 -1.26 -4.70 135.00 133.81 1ug8 s PRO 84 Ca 0.00 -1.51 -0.06 0.00 0.04 0.00 0.00 61.00 59.47 1ug8 s PRO 84 Cb 0.00 -5.38 -0.05 0.00 0.04 0.00 0.00 34.50 29.11 1ug8 s PRO 84 CO 0.00 -3.08 0.15 1.03 0.04 0.00 0.00 177.00 175.13 1ug8 h SER 85 N 8.80 0.00 -0.20 6.66 0.87 -1.82 -3.37 113.55 124.49 1ug8 h SER 85 Ca 0.32 -0.19 0.04 0.00 -1.23 0.00 0.00 61.79 60.73 1ug8 h SER 85 Cb 0.91 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 62.80 1ug8 h SER 85 CO 1.34 0.60 -0.48 0.77 -0.53 0.00 0.00 176.83 178.53 1ug8 h SER 86 N -1.00 -1.55 0.00 6.23 4.64 -1.88 -3.46 113.55 116.53 1ug8 h SER 86 Ca -0.00 0.20 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 1ug8 h SER 86 Cb 0.20 0.63 0.00 0.00 -0.31 0.00 0.00 62.40 62.92 1ug8 h SER 86 CO -0.00 -0.44 0.00 0.61 -0.87 0.00 0.00 176.83 176.13