#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 -5.60 -4.67 1.61 7.64 -1.26 -5.04 113.62 106.30 1ug8 n SER 2 Ca 0.00 1.21 -0.26 0.00 1.01 0.00 0.00 58.87 60.83 1ug8 n SER 2 Cb 0.00 -4.40 -0.09 0.00 -1.01 0.00 0.00 64.21 58.71 1ug8 n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1ug8 s SER 3 N -1.12 4.12 -0.00 6.43 1.04 -1.26 -5.01 113.70 117.90 1ug8 s SER 3 Ca -0.08 -1.21 -0.06 0.00 0.48 0.00 0.00 55.95 55.07 1ug8 s SER 3 Cb 0.01 -0.44 -0.03 0.00 0.10 0.00 0.00 66.02 65.65 1ug8 s SER 3 CO 0.60 -0.46 0.68 1.23 0.98 0.00 0.00 173.24 176.27 1ug8 h GLY 4 N 1.64 -0.22 -0.65 7.32 0.00 -1.97 0.48 103.07 109.68 1ug8 h GLY 4 Ca -0.43 0.08 0.06 0.00 0.00 0.00 0.00 47.33 47.04 1ug8 h GLY 4 CO 0.75 -0.08 -0.39 1.76 0.00 0.00 0.00 176.54 178.57 1ug8 h SER 5 N -0.32 -1.44 0.06 0.19 0.02 -2.00 0.20 113.55 110.25 1ug8 h SER 5 Ca -0.02 0.22 0.02 0.00 -0.84 0.00 0.00 61.79 61.17 1ug8 h SER 5 Cb 0.16 0.64 -0.05 0.00 0.14 0.00 0.00 62.40 63.29 1ug8 h SER 5 CO 0.04 -0.16 -0.41 0.28 -1.14 0.00 0.00 176.83 175.43 1ug8 h SER 6 N -0.01 -1.24 -1.49 3.07 0.02 -2.00 0.12 113.55 112.02 1ug8 h SER 6 Ca 0.10 0.14 0.43 0.00 -0.84 0.00 0.00 61.79 61.63 1ug8 h SER 6 Cb 0.28 0.48 -0.06 0.00 0.14 0.00 0.00 62.40 63.24 1ug8 h SER 6 CO -0.62 -0.47 1.27 1.23 -1.14 0.00 0.00 176.83 177.10 1ug8 h GLY 7 N -0.61 0.00 0.71 -3.77 0.00 0.96 1.77 103.07 102.13 1ug8 h GLY 7 Ca 0.03 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.36 1ug8 h GLY 7 CO -0.28 0.00 -0.03 -1.80 0.00 0.00 0.00 176.54 174.43 1ug8 h ASP 8 N 0.00 -0.07 1.10 0.19 3.58 0.10 -2.37 116.42 118.96 1ug8 h ASP 8 Ca 0.71 -0.27 0.00 0.00 0.42 0.00 0.00 57.03 57.89 1ug8 h ASP 8 Cb 3.24 0.02 0.00 0.00 1.72 0.00 0.00 39.33 44.30 1ug8 h ASP 8 CO -0.01 0.23 -0.48 0.06 -2.88 0.00 0.00 179.24 176.17 1ug8 h GLN 9 N -0.37 0.00 -0.56 0.28 3.07 0.17 -3.27 115.11 114.43 1ug8 h GLN 9 Ca -0.01 0.00 -0.09 0.00 0.09 0.00 0.00 58.65 58.64 1ug8 h GLN 9 Cb 0.33 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.87 1ug8 h GLN 9 CO 0.01 0.00 0.01 -0.22 0.09 0.00 0.00 178.83 178.73 1ug8 h LYS 10 N 0.00 0.99 -0.35 0.06 1.63 0.21 0.26 116.57 119.37 1ug8 h LYS 10 Ca 0.00 -0.31 -0.17 0.00 -0.85 0.00 0.00 60.65 59.32 1ug8 h LYS 10 Cb 0.79 -0.09 -0.00 0.00 -0.60 0.00 0.00 32.23 32.32 1ug8 h LYS 10 CO 0.00 0.98 -0.43 0.87 -3.45 0.00 0.00 179.45 177.42 1ug8 h LYS 11 N 0.88 0.92 0.29 1.90 1.79 -1.50 -0.60 116.57 120.25 1ug8 h LYS 11 Ca 0.16 -0.51 -0.01 0.00 -2.18 0.00 0.00 60.65 58.10 1ug8 h LYS 11 Cb 0.53 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.21 1ug8 h LYS 11 CO 0.03 1.16 -0.14 0.35 -1.08 0.00 0.00 179.45 179.77 1ug8 h PHE 12 N 0.73 -0.36 -0.22 -1.35 3.04 -1.55 -0.51 116.94 116.72 1ug8 h PHE 12 Ca 0.05 -0.01 0.02 0.00 3.98 0.00 0.00 57.97 62.01 1ug8 h PHE 12 Cb 1.03 0.12 -0.03 0.00 2.56 0.00 0.00 35.95 39.64 1ug8 h PHE 12 CO 0.07 -0.11 0.06 0.97 -2.02 0.00 0.00 178.31 177.29 1ug8 h ILE 13 N -0.58 0.93 -0.26 1.41 6.09 -0.52 -1.87 117.51 122.70 1ug8 h ILE 13 Ca -0.04 -0.06 0.06 0.00 -1.37 0.00 0.00 64.86 63.46 1ug8 h ILE 13 Cb 0.42 0.75 -0.07 0.00 0.47 0.00 0.00 36.82 38.39 1ug8 h ILE 13 CO 0.07 0.03 -0.24 0.44 -3.07 0.00 0.00 178.15 175.37 1ug8 h ASP 14 N 0.16 -0.79 -1.00 2.19 5.19 -1.04 0.27 116.42 121.41 1ug8 h ASP 14 Ca 0.10 0.14 0.22 0.00 -0.62 0.00 0.00 57.03 56.87 1ug8 h ASP 14 Cb 0.08 0.37 -0.10 0.00 0.18 0.00 0.00 39.33 39.86 1ug8 h ASP 14 CO -0.11 -0.28 0.62 1.56 -3.12 0.00 0.00 179.24 177.91 1ug8 h GLN 15 N -0.24 0.58 0.01 3.56 4.20 -0.57 0.40 115.11 123.05 1ug8 h GLN 15 Ca 0.14 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.82 1ug8 h GLN 15 Cb 0.46 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.11 1ug8 h GLN 15 CO -0.40 0.39 -0.00 0.28 -0.67 0.00 0.00 178.83 178.42 1ug8 h VAL 16 N 0.60 1.30 -0.99 -0.54 2.07 0.12 -3.11 116.25 115.69 1ug8 h VAL 16 Ca 0.58 -0.92 0.18 0.00 0.82 0.00 0.00 66.70 67.36 1ug8 h VAL 16 Cb 1.13 1.93 -0.18 0.00 -1.52 0.00 0.00 31.29 32.65 1ug8 h VAL 16 CO -0.36 0.24 -0.31 0.40 0.02 0.00 0.00 177.57 177.57 1ug8 h ILE 17 N -0.41 0.01 -0.57 4.57 1.08 0.16 1.05 117.51 123.40 1ug8 h ILE 17 Ca -0.00 0.00 0.12 0.00 -0.39 0.00 0.00 64.86 64.58 1ug8 h ILE 17 Cb 0.40 0.01 -0.10 0.00 -3.07 0.00 0.00 36.82 34.05 1ug8 h ILE 17 CO 0.00 0.00 -0.07 -0.33 -0.69 0.00 0.00 178.15 177.06 1ug8 h GLU 18 N -0.00 0.05 -0.36 2.37 4.39 -1.36 0.82 114.58 120.49 1ug8 h GLU 18 Ca 0.42 -0.00 0.04 0.00 0.34 0.00 0.00 59.36 60.17 1ug8 h GLU 18 Cb 0.67 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.27 1ug8 h GLU 18 CO -1.01 0.04 0.11 0.87 -1.16 0.00 0.00 179.01 177.86 1ug8 h LYS 19 N 0.06 0.25 0.29 2.33 1.57 0.11 0.15 116.57 121.32 1ug8 h LYS 19 Ca 0.28 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 59.04 1ug8 h LYS 19 Cb 0.45 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.70 1ug8 h LYS 19 CO -0.53 0.17 -0.14 0.82 -0.57 0.00 0.00 179.45 179.20 1ug8 h ILE 20 N 0.26 0.00 -0.94 1.86 2.04 0.94 0.92 117.51 122.58 1ug8 h ILE 20 Ca 0.17 -0.02 0.17 0.00 1.00 0.00 0.00 64.86 66.18 1ug8 h ILE 20 Cb 0.16 0.00 -0.17 0.00 -0.74 0.00 0.00 36.82 36.07 1ug8 h ILE 20 CO -0.18 0.00 -0.28 -0.62 0.00 0.00 0.00 178.15 177.07 1ug8 n GLU 21 N -3.10 -0.13 0.00 2.37 -0.58 0.26 0.13 120.64 119.59 1ug8 n GLU 21 Ca -0.05 1.46 -0.10 0.00 -0.42 0.00 0.00 57.16 58.05 1ug8 n GLU 21 Cb 0.15 -2.18 -0.04 0.00 -0.57 0.00 0.00 31.44 28.80 1ug8 n GLU 21 CO 0.00 0.00 0.00 0.22 -0.48 0.00 0.00 177.13 176.87 1ug8 h ASP 22 N 0.00 -0.16 -0.56 1.62 1.82 -0.62 0.55 116.42 119.07 1ug8 h ASP 22 Ca 0.41 0.04 0.02 0.00 -0.39 0.00 0.00 57.03 57.12 1ug8 h ASP 22 Cb 0.65 0.09 -0.03 0.00 0.68 0.00 0.00 39.33 40.72 1ug8 h ASP 22 CO -0.96 -0.07 0.37 0.15 -1.61 0.00 0.00 179.24 177.13 1ug8 h PHE 23 N -0.04 0.65 0.00 0.28 3.57 0.36 0.65 116.94 122.41 1ug8 h PHE 23 Ca 0.06 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.48 1ug8 h PHE 23 Cb 0.13 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.64 1ug8 h PHE 23 CO -0.17 0.39 -0.47 -0.07 -2.23 0.00 0.00 178.31 175.76 1ug8 h LEU 24 N 0.68 0.00 -0.18 0.59 3.38 0.18 -3.19 115.31 116.77 1ug8 h LEU 24 Ca 0.22 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.12 1ug8 h LEU 24 Cb 0.04 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 1ug8 h LEU 24 CO -0.06 0.47 -0.16 1.56 0.09 0.00 0.00 178.44 180.34 1ug8 h GLN 25 N 0.00 0.43 -7.01 1.13 1.08 0.23 -3.44 115.11 107.53 1ug8 h GLN 25 Ca -0.00 -0.22 -0.55 0.00 -1.45 0.00 0.00 58.65 56.43 1ug8 h GLN 25 Cb 1.15 0.00 0.13 0.00 -0.05 0.00 0.00 27.48 28.70 1ug8 h GLN 25 CO 0.06 0.78 0.66 0.45 -0.95 0.00 0.00 178.83 179.83 1ug8 s SER 26 N -6.19 5.63 -0.12 1.46 0.15 -0.52 -4.94 113.70 109.17 1ug8 s SER 26 Ca -0.14 2.85 -0.06 0.00 0.70 0.00 0.00 55.95 59.30 1ug8 s SER 26 Cb 0.06 -2.65 -0.26 0.00 -1.71 0.00 0.00 66.02 61.47 1ug8 s SER 26 CO 0.77 -1.33 0.36 -1.84 1.20 0.00 0.00 173.24 172.39 1ug8 n GLU 27 N -0.54 0.75 0.16 5.44 0.28 -1.26 -4.38 120.64 121.09 1ug8 n GLU 27 Ca 0.07 0.26 -0.13 0.00 -0.16 0.00 0.00 57.16 57.20 1ug8 n GLU 27 Cb 0.43 -1.71 -0.08 0.00 1.43 0.00 0.00 31.44 31.51 1ug8 n GLU 27 CO 0.00 0.00 0.00 1.49 -0.16 0.00 0.00 177.13 178.46 1ug8 h GLU 28 N 0.07 -0.39 -6.01 3.44 4.81 -1.94 -3.44 114.58 111.12 1ug8 h GLU 28 Ca -0.42 0.03 -0.80 0.00 -0.13 0.00 0.00 59.36 58.03 1ug8 h GLU 28 Cb 2.03 0.09 0.04 0.00 0.63 0.00 0.00 28.75 31.54 1ug8 h GLU 28 CO 0.08 -0.08 0.18 1.63 -0.73 0.00 0.00 179.01 180.10 1ug8 n LYS 29 N -5.14 0.05 -0.05 1.92 5.02 -1.26 -4.84 118.16 113.87 1ug8 n LYS 29 Ca -0.10 0.02 -0.06 0.00 -2.02 0.00 0.00 58.31 56.16 1ug8 n LYS 29 Cb 0.26 -1.53 -0.06 0.00 -0.02 0.00 0.00 35.03 33.68 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 1.96 1.54 -3.83 1.97 5.12 -1.26 -4.96 116.66 117.21 1ug8 n ARG 30 Ca 0.22 0.03 -0.12 0.00 -1.93 0.00 0.00 57.85 56.04 1ug8 n ARG 30 Cb 0.06 -1.21 -0.11 0.00 -1.16 0.00 0.00 32.46 30.04 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 -4.48 -0.11 0.17 0.55 0.01 -1.26 -1.74 113.70 106.84 1ug8 s SER 31 Ca -0.09 0.13 0.09 0.00 1.31 0.00 0.00 55.95 57.39 1ug8 s SER 31 Cb 0.03 0.31 -0.04 0.00 0.21 0.00 0.00 66.02 66.53 1ug8 s SER 31 CO 0.29 -0.21 -0.09 -0.22 0.41 0.00 0.00 173.24 173.41 1ug8 s LEU 32 N -0.59 2.99 -0.18 2.44 2.96 0.26 -4.95 118.68 121.61 1ug8 s LEU 32 Ca -0.07 -0.54 0.00 0.00 -0.22 0.00 0.00 54.13 53.30 1ug8 s LEU 32 Cb -0.04 -1.69 0.04 0.00 0.50 0.00 0.00 46.19 44.99 1ug8 s LEU 32 CO 0.01 0.11 -0.10 -1.61 -1.32 0.00 0.00 176.35 173.44 1ug8 s GLU 33 N -2.74 1.96 0.81 1.98 2.02 -1.26 0.37 118.70 121.84 1ug8 s GLU 33 Ca 0.24 -0.68 -0.08 0.00 0.02 0.00 0.00 54.97 54.47 1ug8 s GLU 33 Cb -0.09 -2.22 0.13 0.00 0.10 0.00 0.00 34.13 32.06 1ug8 s GLU 33 CO 0.15 -0.37 1.12 -0.51 0.02 0.00 0.00 175.26 175.67 1ug8 s LEU 34 N 1.48 2.83 0.59 1.80 1.43 -0.76 -5.02 118.68 121.03 1ug8 s LEU 34 Ca 0.01 0.12 -0.14 0.00 -1.03 0.00 0.00 54.13 53.09 1ug8 s LEU 34 Cb -0.15 -2.44 -0.05 0.00 0.03 0.00 0.00 46.19 43.58 1ug8 s LEU 34 CO -0.09 -2.11 1.02 1.51 0.23 0.00 0.00 176.35 176.92 1ug8 s ASP 35 N -4.73 6.16 -0.23 2.29 -4.77 -1.26 -4.47 116.67 109.66 1ug8 s ASP 35 Ca 0.67 1.57 -0.29 0.00 -3.30 0.00 0.00 52.55 51.20 1ug8 s ASP 35 Cb -0.06 -2.50 -0.01 0.00 -1.09 0.00 0.00 42.92 39.26 1ug8 s ASP 35 CO 0.48 -0.91 1.31 -2.16 0.70 0.00 0.00 175.17 174.58 1ug8 s PRO 36 N -4.58 4.06 0.73 2.11 0.04 -1.26 -4.42 135.00 131.69 1ug8 s PRO 36 Ca 0.58 1.49 -0.09 0.00 0.04 0.00 0.00 61.00 63.03 1ug8 s PRO 36 Cb -0.12 -3.84 0.06 0.00 0.04 0.00 0.00 34.50 30.64 1ug8 s PRO 36 CO 0.43 -0.93 1.06 0.00 0.04 0.00 0.00 177.00 177.61 1ug8 n THR 38 N -3.03 1.60 0.00 0.00 5.66 -1.26 -4.94 114.28 112.31 1ug8 n THR 38 Ca 0.08 -0.75 0.00 0.00 -3.05 0.00 0.00 64.05 60.32 1ug8 n THR 38 Cb 0.60 -1.13 0.00 0.00 -1.55 0.00 0.00 70.33 68.25 1ug8 n THR 38 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1ug8 n GLY 39 N 1.76 -0.53 0.34 1.09 0.00 -1.26 -5.01 105.19 101.59 1ug8 n GLY 39 Ca -0.26 0.34 -0.12 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.97 -0.64 1.61 3.04 -2.00 -2.36 116.94 115.61 1ug8 h PHE 40 Ca 0.00 0.01 0.12 0.00 3.98 0.00 0.00 57.97 62.08 1ug8 h PHE 40 Cb 0.00 0.38 -0.12 0.00 2.56 0.00 0.00 35.95 38.77 1ug8 h PHE 40 CO 0.00 -0.45 -0.27 1.96 -2.02 0.00 0.00 178.31 177.53 1ug8 h GLN 41 N -0.67 -0.09 -0.86 1.11 4.20 -1.97 0.66 115.11 117.49 1ug8 h GLN 41 Ca -0.04 0.01 0.14 0.00 0.06 0.00 0.00 58.65 58.82 1ug8 h GLN 41 Cb 0.59 0.02 -0.15 0.00 0.30 0.00 0.00 27.48 28.24 1ug8 h GLN 41 CO -0.06 -0.06 -0.35 -0.09 -0.67 0.00 0.00 178.83 177.60 1ug8 h ARG 42 N -0.09 -0.05 -0.92 1.46 2.43 -1.86 1.51 114.38 116.87 1ug8 h ARG 42 Ca 0.28 0.00 0.10 0.00 -0.81 0.00 0.00 59.98 59.55 1ug8 h ARG 42 Cb 0.54 0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 30.03 1ug8 h ARG 42 CO -0.70 -0.03 0.59 0.87 -1.51 0.00 0.00 179.97 179.18 1ug8 h LYS 43 N -0.05 0.89 0.97 0.20 1.57 -0.37 -1.48 116.57 118.30 1ug8 h LYS 43 Ca 0.33 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 59.01 1ug8 h LYS 43 Cb 0.59 -0.20 0.01 0.00 0.08 0.00 0.00 32.23 32.71 1ug8 h LYS 43 CO -0.89 0.59 -0.46 -0.07 -0.57 0.00 0.00 179.45 178.05 1ug8 h LEU 44 N 0.92 -1.10 -0.73 2.94 3.38 0.27 0.38 115.31 121.38 1ug8 h LEU 44 Ca 0.43 0.04 0.08 0.00 0.09 0.00 0.00 57.88 58.52 1ug8 h LEU 44 Cb 0.41 0.28 -0.11 0.00 0.09 0.00 0.00 40.66 41.33 1ug8 h LEU 44 CO -0.19 -0.77 -0.52 0.40 0.09 0.00 0.00 178.44 177.45 1ug8 h ILE 45 N -1.33 0.02 -0.98 1.22 2.04 -0.15 0.80 117.51 119.14 1ug8 h ILE 45 Ca -0.13 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.81 1ug8 h ILE 45 Cb 0.99 0.02 -0.07 0.00 -0.74 0.00 0.00 36.82 37.03 1ug8 h ILE 45 CO 0.22 0.00 0.62 1.88 0.00 0.00 0.00 178.15 180.87 1ug8 h TYR 46 N -0.17 1.14 0.40 1.37 0.05 -1.20 0.18 116.97 118.74 1ug8 h TYR 46 Ca 0.16 0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.95 1ug8 h TYR 46 Cb 0.52 -0.37 0.00 0.00 1.01 0.00 0.00 36.73 37.90 1ug8 h TYR 46 CO -0.85 0.55 -0.19 1.96 -1.05 0.00 0.00 178.16 178.58 1ug8 h GLN 47 N 1.09 -0.52 0.82 4.88 4.20 0.44 0.13 115.11 126.15 1ug8 h GLN 47 Ca 0.44 0.04 -0.04 0.00 0.06 0.00 0.00 58.65 59.15 1ug8 h GLN 47 Cb 0.26 0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.16 1ug8 h GLN 47 CO -0.20 -0.33 -0.46 1.15 -0.67 0.00 0.00 178.83 178.32 1ug8 h THR 48 N -0.56 0.08 -0.01 -0.54 2.02 0.82 -0.92 112.91 113.80 1ug8 h THR 48 Ca -0.05 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.13 1ug8 h THR 48 Cb 0.42 0.08 -0.00 0.00 -1.74 0.00 0.00 68.15 66.91 1ug8 h THR 48 CO 0.09 0.00 0.31 -0.07 0.37 0.00 0.00 175.52 176.22 1ug8 h LEU 49 N -1.18 0.00 -1.05 2.58 3.38 -0.66 1.72 115.31 120.10 1ug8 h LEU 49 Ca -0.11 0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.91 1ug8 h LEU 49 Cb 0.93 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.62 1ug8 h LEU 49 CO 0.14 0.00 0.63 -1.28 0.09 0.00 0.00 178.44 178.02 1ug8 h SER 50 N 0.00 1.03 0.00 -0.43 0.87 0.74 0.18 113.55 115.94 1ug8 h SER 50 Ca 0.00 -0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.41 1ug8 h SER 50 Cb 0.63 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 62.34 1ug8 h SER 50 CO -0.00 0.68 -1.57 -2.67 -0.53 0.00 0.00 176.83 172.73 1ug8 n TRP 51 N -4.47 0.00 0.18 2.24 4.27 0.79 -3.78 117.44 116.66 1ug8 n TRP 51 Ca 0.14 0.00 0.07 0.00 -3.89 0.00 0.00 57.50 53.82 1ug8 n TRP 51 Cb 0.15 -0.41 0.57 0.00 -1.36 0.00 0.00 31.31 30.26 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 0.16 -1.14 -2.67 1.57 0.24 -3.36 116.57 111.38 1ug8 h LYS 52 Ca -0.23 -0.01 -0.18 0.00 -1.87 0.00 0.00 60.65 58.37 1ug8 h LYS 52 Cb 1.47 -0.04 -0.19 0.00 0.08 0.00 0.00 32.23 33.56 1ug8 h LYS 52 CO -0.00 0.12 -0.53 0.71 -0.57 0.00 0.00 179.45 179.18 1ug8 s TYR 53 N -5.18 -1.38 -0.02 -1.35 2.02 0.64 -4.95 117.35 107.12 1ug8 s TYR 53 Ca -0.06 -0.57 -0.23 0.00 -0.37 0.00 0.00 57.07 55.84 1ug8 s TYR 53 Cb 0.17 0.20 -0.22 0.00 -0.40 0.00 0.00 41.96 41.70 1ug8 s TYR 53 CO 0.69 -1.22 1.09 -1.00 -1.57 0.00 0.00 175.55 173.54 1ug8 h PRO 54 N 5.47 0.26 -4.02 -1.71 0.13 -1.65 -3.42 132.00 127.07 1ug8 h PRO 54 Ca 0.07 -0.26 -0.52 0.00 -0.87 0.00 0.00 66.00 64.43 1ug8 h PRO 54 Cb 1.10 0.07 -0.38 0.00 0.13 0.00 0.00 31.00 31.92 1ug8 h PRO 54 CO 0.06 0.95 -0.79 -1.59 -0.23 0.00 0.00 178.00 176.40 1ug8 s LYS 55 N -3.30 1.21 0.00 0.86 -2.85 -1.26 -4.80 119.74 109.60 1ug8 s LYS 55 Ca -0.15 -0.29 0.00 0.00 -1.00 0.00 0.00 55.97 54.53 1ug8 s LYS 55 Cb 0.02 -1.67 0.00 0.00 -2.06 0.00 0.00 37.83 34.13 1ug8 s LYS 55 CO 0.77 -0.37 0.00 0.41 0.10 0.00 0.00 175.35 176.25 1ug8 n GLY 56 N 4.97 2.57 3.41 0.59 0.00 -1.26 -4.98 105.19 110.49 1ug8 n GLY 56 Ca -0.11 -0.29 -0.20 0.00 0.00 0.00 0.00 46.02 45.42 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 1.13 -0.20 -0.61 -5.25 -1.26 -0.18 121.20 114.84 1ug8 s ILE 57 Ca 0.00 -2.02 -0.03 0.00 -0.99 0.00 0.00 60.65 57.61 1ug8 s ILE 57 Cb 0.00 -2.64 0.06 0.00 2.95 0.00 0.00 42.46 42.83 1ug8 s ILE 57 CO 0.00 -0.10 0.04 -2.28 -1.79 0.00 0.00 174.94 170.80 1ug8 s HIS 58 N -3.34 1.09 -0.13 1.37 2.46 -0.48 -4.79 115.29 111.46 1ug8 s HIS 58 Ca 0.34 -0.92 -0.27 0.00 0.47 0.00 0.00 55.06 54.68 1ug8 s HIS 58 Cb 0.07 -1.07 -0.01 0.00 -0.13 0.00 0.00 32.58 31.44 1ug8 s HIS 58 CO 0.13 -0.63 0.91 0.08 -2.47 0.00 0.00 174.74 172.77 1ug8 s VAL 59 N 1.84 4.84 0.03 0.89 1.01 -1.26 -1.27 120.40 126.48 1ug8 s VAL 59 Ca -0.01 1.84 0.02 0.00 0.00 0.00 0.00 61.98 63.83 1ug8 s VAL 59 Cb -0.17 -4.22 -0.02 0.00 0.00 0.00 0.00 36.38 31.97 1ug8 s VAL 59 CO -0.09 0.03 -0.07 -1.83 0.00 0.00 0.00 175.10 173.15 1ug8 s GLU 60 N 1.98 0.49 -0.47 2.72 1.03 0.12 -4.95 118.70 119.62 1ug8 s GLU 60 Ca 0.43 -0.57 -0.14 0.00 0.03 0.00 0.00 54.97 54.73 1ug8 s GLU 60 Cb -0.18 -0.33 0.08 0.00 -0.80 0.00 0.00 34.13 32.90 1ug8 s GLU 60 CO 0.16 0.07 0.38 0.99 -1.33 0.00 0.00 175.26 175.52 1ug8 s THR 61 N -0.96 4.99 0.32 1.83 2.01 -1.26 0.13 115.64 122.70 1ug8 s THR 61 Ca -0.06 -1.20 -0.09 0.00 0.31 0.00 0.00 61.69 60.65 1ug8 s THR 61 Cb -0.07 -4.03 -0.07 0.00 0.01 0.00 0.00 72.50 68.35 1ug8 s THR 61 CO 0.00 -0.60 0.65 -0.76 -0.69 0.00 0.00 174.62 173.22 1ug8 s LEU 62 N 1.58 4.01 0.10 4.42 1.43 0.26 -4.78 118.68 125.70 1ug8 s LEU 62 Ca 0.04 0.98 -0.09 0.00 -1.03 0.00 0.00 54.13 54.03 1ug8 s LEU 62 Cb -0.25 -3.81 -0.06 0.00 0.03 0.00 0.00 46.19 42.11 1ug8 s LEU 62 CO 0.05 -0.23 0.41 -0.70 0.23 0.00 0.00 176.35 176.11 1ug8 s GLU 63 N -3.39 3.76 0.00 1.70 2.12 -1.26 -0.14 118.70 121.49 1ug8 s GLU 63 Ca 0.49 0.16 0.00 0.00 0.36 0.00 0.00 54.97 55.98 1ug8 s GLU 63 Cb -0.11 -2.95 0.00 0.00 0.26 0.00 0.00 34.13 31.33 1ug8 s GLU 63 CO 0.26 0.53 0.00 0.25 -0.54 0.00 0.00 175.26 175.76 1ug8 n THR 64 N 0.73 0.00 -0.04 -1.70 -2.24 -1.26 -4.84 114.28 104.93 1ug8 n THR 64 Ca -0.07 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.69 1ug8 n THR 64 Cb 0.52 -0.13 -0.01 0.00 -2.10 0.00 0.00 70.33 68.61 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 -0.15 1.11 -0.06 3.42 -0.08 -1.26 -4.14 116.55 115.39 1ug8 n ASP 65 Ca 0.00 0.49 -0.18 0.00 -1.51 0.00 0.00 54.79 53.59 1ug8 n ASP 65 Cb 0.00 -0.73 -0.13 0.00 2.34 0.00 0.00 41.12 42.60 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 -3.70 0.70 -0.15 -0.67 2.85 -1.26 -4.30 118.16 111.62 1ug8 n LYS 66 Ca -0.04 0.20 -0.03 0.00 -1.05 0.00 0.00 58.31 57.39 1ug8 n LYS 66 Cb 0.16 -1.62 0.06 0.00 -0.65 0.00 0.00 35.03 32.98 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 0.03 0.18 0.00 -1.58 1.57 -1.99 -3.45 116.57 111.33 1ug8 h LYS 67 Ca -0.49 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 1ug8 h LYS 67 Cb 1.99 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 34.26 1ug8 h LYS 67 CO 0.01 0.12 0.00 -1.91 -0.57 0.00 0.00 179.45 177.09 1ug8 n GLU 68 N -5.16 0.00 0.00 3.15 2.13 -1.26 -4.89 120.64 114.62 1ug8 n GLU 68 Ca 0.05 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.87 1ug8 n GLU 68 Cb 0.25 -0.84 0.00 0.00 0.27 0.00 0.00 31.44 31.12 1ug8 n GLU 68 CO 0.00 0.00 0.00 2.89 -0.41 0.00 0.00 177.13 179.61 1ug8 n ARG 69 N -2.00 0.00 -3.60 5.31 -4.01 -1.26 -4.13 116.66 106.97 1ug8 n ARG 69 Ca 0.00 0.00 -0.11 0.00 -1.04 0.00 0.00 57.85 56.70 1ug8 n ARG 69 Cb 0.00 0.00 -0.06 0.00 -3.04 0.00 0.00 32.46 29.36 1ug8 n ARG 69 CO 0.00 0.00 0.00 -3.38 -3.04 0.00 0.00 177.63 171.21 1ug8 s HIS 70 N -2.00 -0.47 0.31 2.89 -3.43 0.80 -4.77 115.29 108.62 1ug8 s HIS 70 Ca 0.00 0.98 -0.28 0.00 -0.80 0.00 0.00 55.06 54.96 1ug8 s HIS 70 Cb 0.00 0.40 -0.09 0.00 -1.43 0.00 0.00 32.58 31.45 1ug8 s HIS 70 CO 0.00 -0.32 1.07 0.42 -2.00 0.00 0.00 174.74 173.90 1ug8 s ILE 71 N -0.46 3.61 0.02 -5.38 1.01 -1.26 -0.57 121.20 118.17 1ug8 s ILE 71 Ca -0.01 1.50 0.01 0.00 0.00 0.00 0.00 60.65 62.16 1ug8 s ILE 71 Cb -0.03 -3.91 -0.02 0.00 0.01 0.00 0.00 42.46 38.52 1ug8 s ILE 71 CO -0.01 0.27 -0.04 -0.69 0.00 0.00 0.00 174.94 174.47 1ug8 s VAL 72 N -1.31 0.24 -0.16 2.92 1.01 0.34 -1.82 120.40 121.61 1ug8 s VAL 72 Ca 0.48 -0.70 0.01 0.00 0.00 0.00 0.00 61.98 61.78 1ug8 s VAL 72 Cb -0.28 -0.31 0.01 0.00 0.00 0.00 0.00 36.38 35.79 1ug8 s VAL 72 CO 0.36 -0.30 -0.19 -0.63 0.00 0.00 0.00 175.10 174.34 1ug8 s ILE 73 N -1.00 2.19 0.15 2.22 1.09 0.16 0.13 121.20 126.14 1ug8 s ILE 73 Ca -0.09 -0.91 0.06 0.00 -1.10 0.00 0.00 60.65 58.60 1ug8 s ILE 73 Cb -0.07 -1.91 -0.04 0.00 -1.06 0.00 0.00 42.46 39.38 1ug8 s ILE 73 CO -0.00 0.54 0.04 -0.55 -0.10 0.00 0.00 174.94 174.86 1ug8 s SER 74 N 1.07 5.05 -0.03 3.58 0.15 -0.39 0.88 113.70 124.01 1ug8 s SER 74 Ca -0.01 -0.27 -0.30 0.00 0.70 0.00 0.00 55.95 56.08 1ug8 s SER 74 Cb -0.14 -1.18 -0.03 0.00 -1.71 0.00 0.00 66.02 62.96 1ug8 s SER 74 CO -0.07 0.10 1.06 -0.54 1.20 0.00 0.00 173.24 174.99 1ug8 s LYS 75 N -2.83 4.47 0.23 5.44 1.02 -0.71 -1.38 119.74 125.98 1ug8 s LYS 75 Ca 0.28 1.51 0.06 0.00 0.02 0.00 0.00 55.97 57.84 1ug8 s LYS 75 Cb -0.10 -3.48 -0.05 0.00 -0.52 0.00 0.00 37.83 33.68 1ug8 s LYS 75 CO 0.20 -0.21 -0.08 0.08 -0.92 0.00 0.00 175.35 174.42 1ug8 s VAL 76 N 1.46 1.51 0.04 3.17 1.01 0.75 -4.84 120.40 123.50 1ug8 s VAL 76 Ca 0.53 -2.13 -0.01 0.00 0.00 0.00 0.00 61.98 60.37 1ug8 s VAL 76 Cb -0.22 -2.25 -0.03 0.00 0.00 0.00 0.00 36.38 33.88 1ug8 s VAL 76 CO 0.25 -0.44 -0.03 -0.62 0.00 0.00 0.00 175.10 174.26 1ug8 s ASP 77 N -3.35 0.39 0.04 3.32 2.15 -1.26 -4.47 116.67 113.50 1ug8 s ASP 77 Ca 0.26 -0.81 -0.33 0.00 0.43 0.00 0.00 52.55 52.11 1ug8 s ASP 77 Cb 0.03 0.17 -0.18 0.00 -0.30 0.00 0.00 42.92 42.63 1ug8 s ASP 77 CO 0.09 -0.49 1.39 -0.33 -0.17 0.00 0.00 175.17 175.66 1ug8 h GLU 78 N 3.70 -1.08 -0.56 4.34 3.07 -1.93 0.16 114.58 122.28 1ug8 h GLU 78 Ca -0.33 0.07 0.08 0.00 -0.50 0.00 0.00 59.36 58.68 1ug8 h GLU 78 Cb 1.17 0.24 -0.10 0.00 -0.84 0.00 0.00 28.75 29.22 1ug8 h GLU 78 CO 0.57 -0.71 -0.47 1.49 -1.40 0.00 0.00 179.01 178.49 1ug8 h GLU 79 N -1.24 -0.25 0.20 2.33 4.22 -1.97 -2.56 114.58 115.31 1ug8 h GLU 79 Ca -0.11 0.02 -0.01 0.00 0.08 0.00 0.00 59.36 59.34 1ug8 h GLU 79 Cb 0.86 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.17 1ug8 h GLU 79 CO 0.19 -0.16 -0.16 1.49 -2.18 0.00 0.00 179.01 178.18 1ug8 h GLU 80 N -0.25 -0.34 -4.70 1.92 4.81 -1.98 -3.39 114.58 110.64 1ug8 h GLU 80 Ca 0.15 0.02 -0.68 0.00 -0.13 0.00 0.00 59.36 58.72 1ug8 h GLU 80 Cb 0.56 0.08 -0.21 0.00 0.63 0.00 0.00 28.75 29.81 1ug8 h GLU 80 CO -0.68 -0.23 -0.50 1.03 -0.73 0.00 0.00 179.01 177.90 1ug8 s ARG 81 N -3.93 3.33 -0.12 1.92 0.52 0.55 -4.95 118.95 116.26 1ug8 s ARG 81 Ca -0.06 -0.74 -0.25 0.00 -0.52 0.00 0.00 55.73 54.15 1ug8 s ARG 81 Cb 0.01 -3.75 -0.27 0.00 0.52 0.00 0.00 34.95 31.47 1ug8 s ARG 81 CO 0.19 -0.49 0.72 0.77 0.02 0.00 0.00 175.30 176.51 1ug8 h SER 82 N 8.46 0.14 -2.43 0.23 0.02 -1.73 -3.35 113.55 114.88 1ug8 h SER 82 Ca -0.31 -0.92 0.00 0.00 -0.84 0.00 0.00 61.79 59.72 1ug8 h SER 82 Cb 1.15 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.64 1ug8 h SER 82 CO 0.64 1.20 0.00 0.61 -1.14 0.00 0.00 176.83 178.14 1ug8 n GLY 83 N 1.61 0.06 3.55 -3.77 0.00 -1.26 -5.04 105.19 100.35 1ug8 n GLY 83 Ca -0.15 -1.64 -0.39 0.00 0.00 0.00 0.00 46.02 43.84 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 -2.00 2.93 0.34 1.61 0.04 -1.26 -4.85 135.00 131.81 1ug8 s PRO 84 Ca 0.00 0.10 0.13 0.00 0.04 0.00 0.00 61.00 61.27 1ug8 s PRO 84 Cb 0.00 -4.36 1.10 0.00 0.04 0.00 0.00 34.50 31.27 1ug8 s PRO 84 CO 0.00 -2.47 1.56 -1.13 0.04 0.00 0.00 177.00 175.00 1ug8 n SER 85 N 11.07 0.16 0.24 6.66 3.41 -1.26 -0.47 113.62 133.42 1ug8 n SER 85 Ca 0.14 1.66 -0.10 0.00 -0.26 0.00 0.00 58.87 60.31 1ug8 n SER 85 Cb 0.50 -0.72 -0.05 0.00 -0.26 0.00 0.00 64.21 63.68 1ug8 n SER 85 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 1ug8 h SER 86 N 0.00 -0.54 0.00 4.04 0.87 -2.06 -3.56 113.55 112.31 1ug8 h SER 86 Ca 0.74 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 61.32 1ug8 h SER 86 Cb 1.82 0.14 0.00 0.00 -0.44 0.00 0.00 62.40 63.92 1ug8 h SER 86 CO -0.83 -0.24 0.00 0.61 -0.53 0.00 0.00 176.83 175.84