#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 -7.61 -3.18 1.61 2.88 -1.26 -5.04 113.62 101.02 1ug8 n SER 2 Ca 0.00 1.40 -0.03 0.00 -1.33 0.00 0.00 58.87 58.92 1ug8 n SER 2 Cb 0.00 -5.24 -0.02 0.00 -0.75 0.00 0.00 64.21 58.20 1ug8 n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1ug8 s SER 3 N -1.56 -1.09 -0.02 -3.46 0.01 -1.26 -4.96 113.70 101.36 1ug8 s SER 3 Ca -0.01 -1.06 -0.00 0.00 1.31 0.00 0.00 55.95 56.19 1ug8 s SER 3 Cb 0.00 1.72 -0.00 0.00 0.21 0.00 0.00 66.02 67.95 1ug8 s SER 3 CO 0.77 -0.17 -0.01 1.23 0.41 0.00 0.00 173.24 175.47 1ug8 h GLY 4 N 6.73 0.00 0.23 3.44 0.00 -1.96 -3.23 103.07 108.27 1ug8 h GLY 4 Ca 0.06 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.37 1ug8 h GLY 4 CO 0.11 0.00 -0.11 1.76 0.00 0.00 0.00 176.54 178.30 1ug8 h SER 5 N -0.15 -0.26 -0.70 0.19 0.02 -2.01 -3.27 113.55 107.37 1ug8 h SER 5 Ca 0.00 0.01 0.15 0.00 -0.84 0.00 0.00 61.79 61.11 1ug8 h SER 5 Cb 0.02 0.07 -0.13 0.00 0.14 0.00 0.00 62.40 62.50 1ug8 h SER 5 CO 0.00 0.01 -0.08 0.28 -1.14 0.00 0.00 176.83 175.90 1ug8 h SER 6 N -0.70 -0.47 -0.94 3.07 0.02 -1.97 0.84 113.55 113.40 1ug8 h SER 6 Ca -0.03 0.19 0.27 0.00 -0.84 0.00 0.00 61.79 61.39 1ug8 h SER 6 Cb 0.23 0.37 -0.04 0.00 0.14 0.00 0.00 62.40 63.11 1ug8 h SER 6 CO 0.05 -0.19 0.95 1.23 -1.14 0.00 0.00 176.83 177.73 1ug8 h GLY 7 N 0.05 0.00 0.50 -3.77 0.00 -1.65 1.16 103.07 99.35 1ug8 h GLY 7 Ca 0.36 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.68 1ug8 h GLY 7 CO -0.66 0.00 -0.13 -1.80 0.00 0.00 0.00 176.54 173.95 1ug8 h ASP 8 N 0.00 -0.30 1.12 0.19 3.58 0.67 -2.72 116.42 118.95 1ug8 h ASP 8 Ca 0.45 -0.23 0.00 0.00 0.42 0.00 0.00 57.03 57.67 1ug8 h ASP 8 Cb 2.35 0.08 0.00 0.00 1.72 0.00 0.00 39.33 43.48 1ug8 h ASP 8 CO -0.00 0.16 0.00 0.06 -2.88 0.00 0.00 179.24 176.57 1ug8 h GLN 9 N -0.86 0.00 -0.37 0.28 3.07 -0.10 -2.96 115.11 114.17 1ug8 h GLN 9 Ca -0.04 0.00 -0.11 0.00 0.09 0.00 0.00 58.65 58.59 1ug8 h GLN 9 Cb 0.51 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.06 1ug8 h GLN 9 CO 0.06 0.00 -0.19 -0.22 0.09 0.00 0.00 178.83 178.57 1ug8 h LYS 10 N 0.00 0.78 -0.17 0.06 1.63 0.11 0.31 116.57 119.30 1ug8 h LYS 10 Ca 0.00 -0.35 -0.17 0.00 -0.85 0.00 0.00 60.65 59.28 1ug8 h LYS 10 Cb 0.56 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.17 1ug8 h LYS 10 CO 0.00 0.97 -0.59 0.87 -3.45 0.00 0.00 179.45 177.26 1ug8 h LYS 11 N 0.57 0.54 0.37 1.90 1.79 -1.34 -1.63 116.57 118.77 1ug8 h LYS 11 Ca 0.08 -0.36 -0.02 0.00 -2.18 0.00 0.00 60.65 58.17 1ug8 h LYS 11 Cb 0.75 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.45 1ug8 h LYS 11 CO 0.06 0.97 -0.18 0.35 -1.08 0.00 0.00 179.45 179.57 1ug8 h PHE 12 N 0.41 -0.46 -0.13 -1.35 3.04 -1.36 -1.78 116.94 115.31 1ug8 h PHE 12 Ca -0.00 -0.01 0.04 0.00 3.98 0.00 0.00 57.97 61.98 1ug8 h PHE 12 Cb 1.14 0.15 -0.05 0.00 2.56 0.00 0.00 35.95 39.75 1ug8 h PHE 12 CO 0.05 -0.12 -0.19 0.97 -2.02 0.00 0.00 178.31 177.00 1ug8 h ILE 13 N -0.88 0.52 -0.32 1.41 6.09 -0.45 -1.81 117.51 122.08 1ug8 h ILE 13 Ca -0.05 0.00 0.06 0.00 -1.37 0.00 0.00 64.86 63.50 1ug8 h ILE 13 Cb 0.54 0.52 -0.08 0.00 0.47 0.00 0.00 36.82 38.27 1ug8 h ILE 13 CO 0.08 0.00 -0.43 0.44 -3.07 0.00 0.00 178.15 175.18 1ug8 h ASP 14 N -0.23 -1.39 -1.00 2.19 3.32 -1.33 0.57 116.42 118.54 1ug8 h ASP 14 Ca 0.10 0.20 0.30 0.00 0.02 0.00 0.00 57.03 57.65 1ug8 h ASP 14 Cb 0.38 0.60 -0.14 0.00 0.22 0.00 0.00 39.33 40.38 1ug8 h ASP 14 CO -0.27 -0.38 0.57 0.06 -1.72 0.00 0.00 179.24 177.49 1ug8 h GLN 15 N -0.38 0.37 -0.12 3.56 3.07 -0.66 0.48 115.11 121.43 1ug8 h GLN 15 Ca 0.12 -0.02 -0.07 0.00 0.09 0.00 0.00 58.65 58.77 1ug8 h GLN 15 Cb 0.59 -0.08 -0.00 0.00 0.08 0.00 0.00 27.48 28.07 1ug8 h GLN 15 CO -0.52 0.25 -0.19 0.28 0.09 0.00 0.00 178.83 178.74 1ug8 h VAL 16 N 0.38 1.38 -1.06 1.86 2.07 0.43 -3.03 116.25 118.28 1ug8 h VAL 16 Ca 0.71 -1.44 0.39 0.00 0.82 0.00 0.00 66.70 67.19 1ug8 h VAL 16 Cb 1.55 2.04 -0.16 0.00 -1.52 0.00 0.00 31.29 33.20 1ug8 h VAL 16 CO -0.58 0.42 0.60 0.40 0.02 0.00 0.00 177.57 178.43 1ug8 h ILE 17 N -0.09 0.11 -0.33 4.57 1.08 0.48 1.49 117.51 124.83 1ug8 h ILE 17 Ca 0.01 -0.04 -0.00 0.00 -0.39 0.00 0.00 64.86 64.44 1ug8 h ILE 17 Cb 0.76 -0.01 -0.02 0.00 -3.07 0.00 0.00 36.82 34.48 1ug8 h ILE 17 CO 0.04 0.02 0.20 -0.33 -0.69 0.00 0.00 178.15 177.39 1ug8 h GLU 18 N 0.11 0.44 -0.29 2.37 4.39 -1.25 0.52 114.58 120.86 1ug8 h GLU 18 Ca 0.81 -0.04 0.03 0.00 0.34 0.00 0.00 59.36 60.50 1ug8 h GLU 18 Cb 2.14 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 30.67 1ug8 h GLU 18 CO -0.66 0.33 0.12 0.87 -1.16 0.00 0.00 179.01 178.51 1ug8 h LYS 19 N 0.42 0.25 0.75 2.33 1.57 0.20 -1.14 116.57 120.96 1ug8 h LYS 19 Ca 0.12 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.85 1ug8 h LYS 19 Cb 0.00 -0.06 0.01 0.00 0.08 0.00 0.00 32.23 32.26 1ug8 h LYS 19 CO -0.02 0.17 -0.36 0.82 -0.57 0.00 0.00 179.45 179.48 1ug8 h ILE 20 N 0.26 0.00 -0.57 1.86 2.04 -0.80 -1.13 117.51 119.17 1ug8 h ILE 20 Ca 0.13 -0.07 0.05 0.00 1.00 0.00 0.00 64.86 65.96 1ug8 h ILE 20 Cb 0.07 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.09 1ug8 h ILE 20 CO -0.11 0.00 -0.33 -0.62 0.00 0.00 0.00 178.15 177.08 1ug8 n GLU 21 N -4.92 -0.25 -0.07 2.37 1.02 0.18 0.12 120.64 119.09 1ug8 n GLU 21 Ca -0.13 1.14 -0.10 0.00 -0.02 0.00 0.00 57.16 58.06 1ug8 n GLU 21 Cb 0.40 -1.69 -0.04 0.00 -0.02 0.00 0.00 31.44 30.09 1ug8 n GLU 21 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 1ug8 h ASP 22 N 0.00 -1.25 -0.94 1.62 1.82 -1.21 0.85 116.42 117.30 1ug8 h ASP 22 Ca 0.09 0.19 0.20 0.00 -0.39 0.00 0.00 57.03 57.12 1ug8 h ASP 22 Cb 0.23 0.54 -0.08 0.00 0.68 0.00 0.00 39.33 40.71 1ug8 h ASP 22 CO -0.53 -0.37 0.61 0.15 -1.61 0.00 0.00 179.24 177.48 1ug8 h PHE 23 N -0.37 0.73 -0.11 0.28 3.57 0.10 0.39 116.94 121.54 1ug8 h PHE 23 Ca 0.12 0.02 -0.19 0.00 3.53 0.00 0.00 57.97 61.45 1ug8 h PHE 23 Cb 0.58 -0.22 -0.00 0.00 2.79 0.00 0.00 35.95 39.10 1ug8 h PHE 23 CO -0.53 0.18 -0.73 -0.07 -2.23 0.00 0.00 178.31 174.93 1ug8 h LEU 24 N 0.54 0.63 -0.29 0.59 3.38 0.46 -3.20 115.31 117.43 1ug8 h LEU 24 Ca 0.51 -0.41 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 1ug8 h LEU 24 Cb 1.07 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 1ug8 h LEU 24 CO -0.24 1.16 0.10 1.56 0.09 0.00 0.00 178.44 181.11 1ug8 h GLN 25 N 0.37 0.44 -6.99 1.13 1.08 0.45 -3.43 115.11 108.16 1ug8 h GLN 25 Ca -0.03 -0.09 -0.56 0.00 -1.45 0.00 0.00 58.65 56.52 1ug8 h GLN 25 Cb 1.32 -0.07 0.14 0.00 -0.05 0.00 0.00 27.48 28.82 1ug8 h GLN 25 CO 0.13 0.49 0.55 0.45 -0.95 0.00 0.00 178.83 179.50 1ug8 n SER 26 N -4.72 2.53 -0.10 1.46 2.88 0.55 -4.96 113.62 111.27 1ug8 n SER 26 Ca -0.02 0.99 -0.17 0.00 -1.33 0.00 0.00 58.87 58.34 1ug8 n SER 26 Cb 0.15 -1.55 -0.07 0.00 -0.75 0.00 0.00 64.21 61.99 1ug8 n SER 26 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1ug8 n GLU 27 N -0.82 0.53 -0.14 -1.46 1.02 -1.26 -4.41 120.64 114.09 1ug8 n GLU 27 Ca 0.10 0.48 -0.04 0.00 -0.02 0.00 0.00 57.16 57.68 1ug8 n GLU 27 Cb 0.44 -1.66 0.03 0.00 -0.02 0.00 0.00 31.44 30.23 1ug8 n GLU 27 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1ug8 h GLU 28 N -1.00 0.04 -6.04 3.49 4.39 -1.95 -3.42 114.58 110.09 1ug8 h GLU 28 Ca -0.27 -0.00 -0.75 0.00 0.34 0.00 0.00 59.36 58.68 1ug8 h GLU 28 Cb 1.08 -0.01 0.06 0.00 -0.10 0.00 0.00 28.75 29.79 1ug8 h GLU 28 CO -0.16 0.03 -0.01 1.63 -1.16 0.00 0.00 179.01 179.33 1ug8 n LYS 29 N -5.29 0.16 -0.01 2.33 5.02 -1.26 -4.86 118.16 114.24 1ug8 n LYS 29 Ca 0.04 0.06 -0.02 0.00 -2.02 0.00 0.00 58.31 56.37 1ug8 n LYS 29 Cb 0.25 -1.47 -0.01 0.00 -0.02 0.00 0.00 35.03 33.77 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 1.49 0.06 -3.70 1.97 5.12 -1.26 -5.00 116.66 115.35 1ug8 n ARG 30 Ca 0.19 0.01 -0.14 0.00 -1.93 0.00 0.00 57.85 55.99 1ug8 n ARG 30 Cb 0.13 -1.04 -0.14 0.00 -1.16 0.00 0.00 32.46 30.25 1ug8 n ARG 30 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1ug8 s SER 31 N -4.27 0.19 -0.16 0.55 1.04 -1.26 -0.93 113.70 108.86 1ug8 s SER 31 Ca -0.03 0.43 -0.14 0.00 0.48 0.00 0.00 55.95 56.69 1ug8 s SER 31 Cb 0.01 0.38 -0.05 0.00 0.10 0.00 0.00 66.02 66.46 1ug8 s SER 31 CO 0.06 -0.20 0.28 -0.22 0.98 0.00 0.00 173.24 174.14 1ug8 s LEU 32 N 1.79 4.24 -0.25 2.42 2.96 0.29 -4.91 118.68 125.22 1ug8 s LEU 32 Ca -0.03 0.49 -0.09 0.00 -0.22 0.00 0.00 54.13 54.28 1ug8 s LEU 32 Cb -0.12 -2.36 -0.04 0.00 0.50 0.00 0.00 46.19 44.18 1ug8 s LEU 32 CO -0.07 0.10 0.11 -1.61 -1.32 0.00 0.00 176.35 173.56 1ug8 s GLU 33 N 0.47 3.78 0.59 1.98 2.02 -1.26 0.83 118.70 127.11 1ug8 s GLU 33 Ca 0.16 -0.41 -0.00 0.00 0.02 0.00 0.00 54.97 54.74 1ug8 s GLU 33 Cb -0.13 -3.43 0.05 0.00 0.10 0.00 0.00 34.13 30.72 1ug8 s GLU 33 CO 0.03 -0.15 0.83 -0.51 0.02 0.00 0.00 175.26 175.49 1ug8 s LEU 34 N 1.56 3.17 0.33 1.80 1.43 -0.65 -5.01 118.68 121.30 1ug8 s LEU 34 Ca 0.06 0.03 -0.18 0.00 -1.03 0.00 0.00 54.13 53.01 1ug8 s LEU 34 Cb -0.15 -2.83 -0.09 0.00 0.03 0.00 0.00 46.19 43.15 1ug8 s LEU 34 CO 0.06 -1.29 0.80 -1.81 0.23 0.00 0.00 176.35 174.35 1ug8 s ASP 35 N -4.47 6.92 -0.30 2.29 1.11 -1.26 -4.46 116.67 116.49 1ug8 s ASP 35 Ca 0.59 1.46 -0.29 0.00 0.18 0.00 0.00 52.55 54.48 1ug8 s ASP 35 Cb -0.10 -2.44 -0.00 0.00 1.07 0.00 0.00 42.92 41.45 1ug8 s ASP 35 CO 0.40 -0.19 1.35 -2.16 1.18 0.00 0.00 175.17 175.75 1ug8 s PRO 36 N -2.76 3.87 0.00 8.23 0.04 -1.26 -4.54 135.00 138.57 1ug8 s PRO 36 Ca 0.54 1.27 0.00 0.00 0.04 0.00 0.00 61.00 62.84 1ug8 s PRO 36 Cb -0.12 -3.91 0.00 0.00 0.04 0.00 0.00 34.50 30.51 1ug8 s PRO 36 CO 0.18 -1.18 0.00 0.00 0.04 0.00 0.00 177.00 176.03 1ug8 h THR 38 N 0.00 0.00 0.00 0.00 1.35 -1.97 -3.50 112.91 108.79 1ug8 h THR 38 Ca 0.00 -0.84 0.00 0.00 -0.55 0.00 0.00 66.41 65.02 1ug8 h THR 38 Cb 0.00 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.42 1ug8 h THR 38 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1ug8 n GLY 39 N 1.72 -0.12 0.49 5.82 0.00 -1.26 -5.00 105.19 106.83 1ug8 n GLY 39 Ca -0.03 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.39 -0.44 1.61 3.57 -2.00 -2.32 116.94 115.96 1ug8 h PHE 40 Ca 0.00 0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.61 1ug8 h PHE 40 Cb 0.00 0.55 -0.09 0.00 2.79 0.00 0.00 35.95 39.20 1ug8 h PHE 40 CO 0.00 -0.64 -0.19 1.96 -2.23 0.00 0.00 178.31 177.21 1ug8 h GLN 41 N -0.93 -0.09 -0.87 1.11 7.50 -1.99 -0.52 115.11 119.32 1ug8 h GLN 41 Ca -0.04 0.01 0.17 0.00 0.50 0.00 0.00 58.65 59.28 1ug8 h GLN 41 Cb 0.83 0.02 -0.16 0.00 0.05 0.00 0.00 27.48 28.22 1ug8 h GLN 41 CO -0.12 -0.06 -0.25 -0.09 -1.50 0.00 0.00 178.83 176.81 1ug8 h ARG 42 N -0.09 -0.01 -0.92 1.46 2.43 -1.86 1.52 114.38 116.90 1ug8 h ARG 42 Ca 0.21 0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.43 1ug8 h ARG 42 Cb 0.42 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.92 1ug8 h ARG 42 CO -0.51 -0.01 0.60 0.87 -1.51 0.00 0.00 179.97 179.41 1ug8 h LYS 43 N -0.01 1.08 0.02 0.20 1.57 -0.58 -1.21 116.57 117.63 1ug8 h LYS 43 Ca 0.40 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 59.11 1ug8 h LYS 43 Cb 0.63 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 32.69 1ug8 h LYS 43 CO -0.90 0.71 -0.02 -0.07 -0.57 0.00 0.00 179.45 178.60 1ug8 h LEU 44 N 1.11 -0.07 0.17 2.94 3.38 0.27 0.43 115.31 123.54 1ug8 h LEU 44 Ca 0.38 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.37 1ug8 h LEU 44 Cb 0.09 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 1ug8 h LEU 44 CO -0.13 -0.04 -0.44 0.40 0.09 0.00 0.00 178.44 178.32 1ug8 h ILE 45 N -0.05 0.13 -0.68 1.22 2.04 0.08 0.44 117.51 120.68 1ug8 h ILE 45 Ca 0.00 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.95 1ug8 h ILE 45 Cb 0.06 0.13 -0.07 0.00 -0.74 0.00 0.00 36.82 36.19 1ug8 h ILE 45 CO -0.01 0.00 0.33 1.88 0.00 0.00 0.00 178.15 180.35 1ug8 h TYR 46 N -0.71 0.59 0.18 1.37 0.05 -1.06 0.22 116.97 117.61 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 0.71 -0.16 -0.01 0.00 1.01 0.00 0.00 36.73 38.27 1ug8 h TYR 46 CO -0.36 0.21 -0.17 1.96 -1.05 0.00 0.00 178.16 178.75 1ug8 h GLN 47 N 0.57 -0.37 0.81 4.88 4.20 0.71 0.29 115.11 126.20 1ug8 h GLN 47 Ca 0.34 0.03 -0.04 0.00 0.06 0.00 0.00 58.65 59.04 1ug8 h GLN 47 Cb 0.35 0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.21 1ug8 h GLN 47 CO -0.27 -0.25 -0.49 1.15 -0.67 0.00 0.00 178.83 178.31 1ug8 h THR 48 N -0.38 0.02 0.00 -0.54 2.02 0.47 -0.76 112.91 113.73 1ug8 h THR 48 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1ug8 h THR 48 Cb 0.36 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.79 1ug8 h THR 48 CO -0.04 0.00 0.27 -0.07 0.37 0.00 0.00 175.52 176.06 1ug8 h LEU 49 N -1.21 0.00 -1.20 2.58 3.38 -0.53 1.55 115.31 119.87 1ug8 h LEU 49 Ca -0.11 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.91 1ug8 h LEU 49 Cb 0.97 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.67 1ug8 h LEU 49 CO 0.11 0.00 0.55 -1.28 0.09 0.00 0.00 178.44 177.92 1ug8 h SER 50 N 0.00 0.88 0.00 -0.43 0.87 0.11 0.32 113.55 115.30 1ug8 h SER 50 Ca 0.00 -0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.40 1ug8 h SER 50 Cb 0.55 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 62.28 1ug8 h SER 50 CO 0.00 0.59 -1.57 -2.67 -0.53 0.00 0.00 176.83 172.65 1ug8 n TRP 51 N -4.46 0.00 0.14 2.24 4.27 0.72 -3.76 117.44 116.59 1ug8 n TRP 51 Ca 0.12 0.00 0.05 0.00 -3.89 0.00 0.00 57.50 53.77 1ug8 n TRP 51 Cb 0.14 -0.40 0.48 0.00 -1.36 0.00 0.00 31.31 30.17 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 0.23 -0.97 -2.67 1.57 0.20 -3.37 116.57 111.56 1ug8 h LYS 52 Ca -0.22 -0.03 -0.11 0.00 -1.87 0.00 0.00 60.65 58.42 1ug8 h LYS 52 Cb 1.47 -0.04 -0.17 0.00 0.08 0.00 0.00 32.23 33.57 1ug8 h LYS 52 CO 0.00 0.25 -0.46 0.71 -0.57 0.00 0.00 179.45 179.38 1ug8 s TYR 53 N -5.02 -1.63 0.14 -1.35 2.02 0.11 -4.96 117.35 106.67 1ug8 s TYR 53 Ca -0.06 -0.23 -0.04 0.00 -0.37 0.00 0.00 57.07 56.38 1ug8 s TYR 53 Cb 0.16 0.31 -0.05 0.00 -0.40 0.00 0.00 41.96 41.99 1ug8 s TYR 53 CO 0.71 -1.21 1.35 -1.00 -1.57 0.00 0.00 175.55 173.83 1ug8 h PRO 54 N 5.78 0.44 -3.35 -1.71 0.13 -1.64 -3.41 132.00 128.24 1ug8 h PRO 54 Ca 0.05 -0.42 -0.54 0.00 -0.87 0.00 0.00 66.00 64.23 1ug8 h PRO 54 Cb 1.14 0.11 -0.40 0.00 0.13 0.00 0.00 31.00 31.98 1ug8 h PRO 54 CO 0.04 1.07 -0.76 -1.59 -0.23 0.00 0.00 178.00 176.53 1ug8 s LYS 55 N -3.41 0.53 0.00 0.86 0.00 -1.26 -4.85 119.74 111.60 1ug8 s LYS 55 Ca -0.06 -0.63 0.00 0.00 0.00 0.00 0.00 55.97 55.28 1ug8 s LYS 55 Cb 0.09 -1.84 0.00 0.00 0.00 0.00 0.00 37.83 36.08 1ug8 s LYS 55 CO 0.86 -0.84 0.00 0.41 0.00 0.00 0.00 175.35 175.78 1ug8 n GLY 56 N 5.05 0.13 2.83 0.59 0.00 -1.26 -5.02 105.19 107.50 1ug8 n GLY 56 Ca -0.06 -0.01 -0.21 0.00 0.00 0.00 0.00 46.02 45.74 1ug8 n GLY 56 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1ug8 n ILE 57 N 0.00 0.00 -3.57 -0.61 -0.00 -1.26 -0.11 119.36 113.82 1ug8 n ILE 57 Ca 0.00 -2.01 -0.23 0.00 -0.00 0.00 0.00 62.75 60.51 1ug8 n ILE 57 Cb 0.00 0.75 -0.15 0.00 -0.00 0.00 0.00 39.64 40.23 1ug8 n ILE 57 CO 0.00 0.00 0.00 -2.28 -0.00 0.00 0.00 176.55 174.27 1ug8 s HIS 58 N -2.87 -0.01 -0.09 4.28 2.46 0.34 -4.68 115.29 114.73 1ug8 s HIS 58 Ca 0.19 -0.06 -0.26 0.00 0.47 0.00 0.00 55.06 55.39 1ug8 s HIS 58 Cb 0.01 -0.54 -0.03 0.00 -0.13 0.00 0.00 32.58 31.89 1ug8 s HIS 58 CO 0.13 -0.53 0.84 0.08 -2.47 0.00 0.00 174.74 172.79 1ug8 s VAL 59 N 2.22 4.92 0.00 0.89 1.01 -1.25 -1.54 120.40 126.65 1ug8 s VAL 59 Ca 0.04 1.71 0.00 0.00 0.00 0.00 0.00 61.98 63.74 1ug8 s VAL 59 Cb -0.16 -4.17 -0.00 0.00 0.00 0.00 0.00 36.38 32.05 1ug8 s VAL 59 CO -0.10 0.13 -0.01 -1.83 0.00 0.00 0.00 175.10 173.29 1ug8 s GLU 60 N 1.41 0.11 -0.51 2.72 -1.05 0.50 -4.91 118.70 116.96 1ug8 s GLU 60 Ca 0.42 -0.09 -0.18 0.00 -0.15 0.00 0.00 54.97 54.97 1ug8 s GLU 60 Cb -0.18 -0.07 0.07 0.00 -0.44 0.00 0.00 34.13 33.51 1ug8 s GLU 60 CO 0.19 0.02 0.56 0.99 0.95 0.00 0.00 175.26 177.96 1ug8 s THR 61 N -0.16 4.98 -0.13 1.83 2.01 -1.26 0.12 115.64 123.04 1ug8 s THR 61 Ca -0.01 -0.74 -0.12 0.00 0.31 0.00 0.00 61.69 61.13 1ug8 s THR 61 Cb -0.01 -4.27 -0.05 0.00 0.01 0.00 0.00 72.50 68.18 1ug8 s THR 61 CO -0.00 -0.77 0.25 -0.76 -0.69 0.00 0.00 174.62 172.64 1ug8 s LEU 62 N 2.31 4.32 -0.14 4.42 1.43 0.76 -4.71 118.68 127.07 1ug8 s LEU 62 Ca 0.11 0.54 -0.00 0.00 -1.03 0.00 0.00 54.13 53.74 1ug8 s LEU 62 Cb -0.22 -2.29 -0.01 0.00 0.03 0.00 0.00 46.19 43.71 1ug8 s LEU 62 CO 0.09 0.24 -0.13 -0.70 0.23 0.00 0.00 176.35 176.08 1ug8 s GLU 63 N -0.23 3.34 0.00 1.70 2.12 -1.26 0.11 118.70 124.49 1ug8 s GLU 63 Ca 0.16 -0.70 0.00 0.00 0.36 0.00 0.00 54.97 54.79 1ug8 s GLU 63 Cb -0.13 -2.66 0.00 0.00 0.26 0.00 0.00 34.13 31.60 1ug8 s GLU 63 CO 0.05 0.14 0.00 0.25 -0.54 0.00 0.00 175.26 175.15 1ug8 n THR 64 N 3.75 0.00 -0.04 -1.70 -2.24 -1.26 -4.80 114.28 107.99 1ug8 n THR 64 Ca -0.18 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.57 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 -0.78 -0.57 0.00 0.00 175.07 173.72 1ug8 h ASP 65 N 0.00 0.00 0.07 3.42 1.82 -1.99 -3.34 116.42 116.41 1ug8 h ASP 65 Ca 0.00 0.00 -0.37 0.00 -0.39 0.00 0.00 57.03 56.27 1ug8 h ASP 65 Cb 0.00 0.00 -0.05 0.00 0.68 0.00 0.00 39.33 39.96 1ug8 h ASP 65 CO 0.00 0.47 -2.24 2.29 -1.61 0.00 0.00 179.24 178.16 1ug8 n LYS 66 N -3.84 0.70 -0.05 0.28 2.85 -1.26 -4.33 118.16 112.51 1ug8 n LYS 66 Ca -0.04 0.20 -0.09 0.00 -1.05 0.00 0.00 58.31 57.33 1ug8 n LYS 66 Cb 0.15 -1.61 -0.02 0.00 -0.65 0.00 0.00 35.03 32.89 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 0.03 0.21 -3.44 -1.58 1.63 -1.97 -3.48 116.57 107.97 1ug8 h LYS 67 Ca -0.50 -0.01 0.38 0.00 -0.85 0.00 0.00 60.65 59.67 1ug8 h LYS 67 Cb 1.98 -0.05 -0.15 0.00 -0.60 0.00 0.00 32.23 33.41 1ug8 h LYS 67 CO 0.00 0.14 -0.92 0.39 -3.45 0.00 0.00 179.45 175.60 1ug8 n GLU 68 N -5.01 -3.19 -1.21 1.90 1.02 -1.25 -4.53 120.64 108.36 1ug8 n GLU 68 Ca -0.02 2.39 -0.50 0.00 -0.02 0.00 0.00 57.16 59.00 1ug8 n GLU 68 Cb 0.07 -3.81 -0.12 0.00 -0.02 0.00 0.00 31.44 27.56 1ug8 n GLU 68 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 1ug8 n ARG 69 N -4.35 0.00 -4.11 3.49 1.85 -1.18 -4.07 116.66 108.29 1ug8 n ARG 69 Ca -0.04 0.00 -0.15 0.00 -1.00 0.00 0.00 57.85 56.66 1ug8 n ARG 69 Cb 0.69 -1.38 -0.13 0.00 -1.05 0.00 0.00 32.46 30.59 1ug8 n ARG 69 CO 0.00 0.00 0.00 -3.38 -0.01 0.00 0.00 177.63 174.24 1ug8 s HIS 70 N 6.29 0.51 0.30 2.89 -3.43 0.31 -4.64 115.29 117.51 1ug8 s HIS 70 Ca 1.14 -0.22 -0.29 0.00 -0.80 0.00 0.00 55.06 54.89 1ug8 s HIS 70 Cb -1.32 -0.32 -0.10 0.00 -1.43 0.00 0.00 32.58 29.42 1ug8 s HIS 70 CO 0.56 -0.03 1.26 0.42 -2.00 0.00 0.00 174.74 174.95 1ug8 s ILE 71 N -0.53 2.97 -0.04 -5.38 1.01 -1.26 -0.17 121.20 117.79 1ug8 s ILE 71 Ca -0.02 0.94 0.01 0.00 0.00 0.00 0.00 60.65 61.58 1ug8 s ILE 71 Cb -0.05 -3.60 0.02 0.00 0.01 0.00 0.00 42.46 38.84 1ug8 s ILE 71 CO -0.00 0.21 -0.06 -0.69 0.00 0.00 0.00 174.94 174.40 1ug8 s VAL 72 N -0.92 0.60 -0.35 2.92 1.01 0.33 -1.64 120.40 122.35 1ug8 s VAL 72 Ca 0.49 -0.18 -0.11 0.00 0.00 0.00 0.00 61.98 62.18 1ug8 s VAL 72 Cb -0.37 -0.59 0.02 0.00 0.00 0.00 0.00 36.38 35.43 1ug8 s VAL 72 CO 0.48 0.23 0.19 -0.63 0.00 0.00 0.00 175.10 175.37 1ug8 s ILE 73 N 0.73 4.61 -0.16 2.22 1.09 0.24 -0.37 121.20 129.57 1ug8 s ILE 73 Ca -0.10 -0.71 -0.04 0.00 -1.10 0.00 0.00 60.65 58.70 1ug8 s ILE 73 Cb -0.13 -3.50 -0.03 0.00 -1.06 0.00 0.00 42.46 37.74 1ug8 s ILE 73 CO 0.01 -0.14 -0.03 -0.44 -0.10 0.00 0.00 174.94 174.23 1ug8 s SER 74 N 1.58 4.80 0.18 3.58 0.01 -0.59 0.11 113.70 123.36 1ug8 s SER 74 Ca 0.03 -0.14 -0.33 0.00 1.31 0.00 0.00 55.95 56.82 1ug8 s SER 74 Cb -0.18 -1.79 -0.14 0.00 0.21 0.00 0.00 66.02 64.12 1ug8 s SER 74 CO 0.07 0.16 1.45 0.29 0.41 0.00 0.00 173.24 175.61 1ug8 n LYS 75 N 3.61 1.88 -4.38 12.44 4.01 -0.11 -0.50 118.16 135.11 1ug8 n LYS 75 Ca -0.17 0.67 -0.19 0.00 -0.51 0.00 0.00 58.31 58.11 1ug8 n LYS 75 Cb 0.52 -2.36 -0.10 0.00 -0.51 0.00 0.00 35.03 32.58 1ug8 n LYS 75 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 1ug8 s VAL 76 N 0.40 1.29 0.20 -0.18 1.01 0.85 -4.80 120.40 119.17 1ug8 s VAL 76 Ca 0.75 -2.07 -0.10 0.00 0.00 0.00 0.00 61.98 60.57 1ug8 s VAL 76 Cb -0.72 -2.42 -0.01 0.00 0.00 0.00 0.00 36.38 33.23 1ug8 s VAL 76 CO 0.45 -0.29 0.35 -0.62 0.00 0.00 0.00 175.10 174.98 1ug8 s ASP 77 N -3.37 -0.01 -0.02 3.32 -1.08 -1.26 -4.48 116.67 109.76 1ug8 s ASP 77 Ca 0.29 -0.93 -0.18 0.00 -0.52 0.00 0.00 52.55 51.21 1ug8 s ASP 77 Cb 0.05 0.49 -0.10 0.00 -1.46 0.00 0.00 42.92 41.90 1ug8 s ASP 77 CO 0.10 -0.98 0.75 -0.08 0.52 0.00 0.00 175.17 175.48 1ug8 h GLU 78 N 2.43 -0.62 -1.19 4.34 4.22 -1.95 -3.18 114.58 118.63 1ug8 h GLU 78 Ca -0.30 0.04 0.41 0.00 0.08 0.00 0.00 59.36 59.60 1ug8 h GLU 78 Cb 1.24 0.14 -0.14 0.00 0.50 0.00 0.00 28.75 30.49 1ug8 h GLU 78 CO 0.44 -0.42 0.73 1.05 -2.18 0.00 0.00 179.01 178.63 1ug8 h GLU 79 N -1.16 0.10 -0.09 1.92 -0.00 -1.98 0.22 114.58 113.59 1ug8 h GLU 79 Ca -0.07 -0.01 0.03 0.00 -0.00 0.00 0.00 59.36 59.31 1ug8 h GLU 79 Cb 0.50 -0.02 -0.06 0.00 -0.00 0.00 0.00 28.75 29.16 1ug8 h GLU 79 CO 0.11 0.07 -0.54 1.49 -0.00 0.00 0.00 179.01 180.13 1ug8 h GLU 80 N 0.10 -0.59 -6.81 1.06 4.57 -1.97 -3.40 114.58 107.54 1ug8 h GLU 80 Ca 0.81 0.04 -0.49 0.00 -1.18 0.00 0.00 59.36 58.55 1ug8 h GLU 80 Cb 2.35 0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 31.06 1ug8 h GLU 80 CO -0.54 -0.39 0.38 0.50 -1.18 0.00 0.00 179.01 177.78 1ug8 s ARG 81 N -5.72 4.70 0.07 1.92 6.06 0.77 -4.97 118.95 121.78 1ug8 s ARG 81 Ca -0.16 1.52 -0.23 0.00 -2.50 0.00 0.00 55.73 54.36 1ug8 s ARG 81 Cb 0.07 -3.09 -0.16 0.00 0.06 0.00 0.00 34.95 31.83 1ug8 s ARG 81 CO 0.61 0.35 1.67 1.03 -2.50 0.00 0.00 175.30 176.46 1ug8 h SER 82 N 3.72 0.01 0.00 -2.12 0.87 -1.80 -3.47 113.55 110.75 1ug8 h SER 82 Ca -0.46 -0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.02 1ug8 h SER 82 Cb 1.20 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.16 1ug8 h SER 82 CO 0.67 0.08 0.00 0.61 -0.53 0.00 0.00 176.83 177.66 1ug8 n GLY 83 N -0.88 2.94 3.55 5.77 0.00 -1.26 -5.05 105.19 110.27 1ug8 n GLY 83 Ca -0.07 -0.64 -0.40 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.35 2.92 0.14 1.61 0.04 -1.26 -4.88 135.00 131.21 1ug8 s PRO 84 Ca 0.00 0.16 -0.32 0.00 0.04 0.00 0.00 61.00 60.88 1ug8 s PRO 84 Cb 0.00 -4.30 -0.09 0.00 0.04 0.00 0.00 34.50 30.16 1ug8 s PRO 84 CO 0.00 -2.44 1.55 0.66 0.04 0.00 0.00 177.00 176.81 1ug8 h SER 85 N 12.40 -1.77 0.44 6.66 4.64 -2.05 -3.00 113.55 130.88 1ug8 h SER 85 Ca -0.26 0.24 -0.02 0.00 -0.47 0.00 0.00 61.79 61.27 1ug8 h SER 85 Cb 1.10 0.73 0.00 0.00 -0.31 0.00 0.00 62.40 63.93 1ug8 h SER 85 CO 1.25 -0.40 -0.21 0.28 -0.87 0.00 0.00 176.83 176.87 1ug8 h SER 86 N -0.40 -0.50 0.00 4.97 0.02 -2.07 -3.57 113.55 112.00 1ug8 h SER 86 Ca 0.08 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 1ug8 h SER 86 Cb 0.60 0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.27 1ug8 h SER 86 CO -0.58 -0.08 0.00 0.61 -1.14 0.00 0.00 176.83 175.64