#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 -6.63 -4.24 1.61 2.88 -1.26 -4.87 113.62 101.11 1ug8 n SER 2 Ca 0.00 0.76 -0.41 0.00 -1.33 0.00 0.00 58.87 57.89 1ug8 n SER 2 Cb 0.00 -2.45 -0.03 0.00 -0.75 0.00 0.00 64.21 60.98 1ug8 n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1ug8 n SER 3 N 1.49 5.01 -0.04 -3.46 7.64 -1.26 -4.82 113.62 118.17 1ug8 n SER 3 Ca -0.03 -3.09 -0.03 0.00 1.01 0.00 0.00 58.87 56.73 1ug8 n SER 3 Cb 0.32 -1.24 -0.01 0.00 -1.01 0.00 0.00 64.21 62.27 1ug8 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ug8 n GLY 4 N 2.49 -0.74 0.14 0.23 0.00 -1.26 -3.85 105.19 102.20 1ug8 n GLY 4 Ca 0.23 -0.12 -0.04 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.60 -0.70 -0.96 1.61 0.02 -2.00 0.22 113.55 111.14 1ug8 h SER 5 Ca 0.00 0.11 0.17 0.00 -0.84 0.00 0.00 61.79 61.23 1ug8 h SER 5 Cb 0.36 0.31 -0.17 0.00 0.14 0.00 0.00 62.40 63.04 1ug8 h SER 5 CO 0.00 -0.09 -0.31 -1.28 -1.14 0.00 0.00 176.83 174.01 1ug8 h SER 6 N -0.02 -1.16 -0.95 3.07 0.87 -1.96 1.24 113.55 114.64 1ug8 h SER 6 Ca 0.05 0.30 0.23 0.00 -1.23 0.00 0.00 61.79 61.13 1ug8 h SER 6 Cb 0.15 0.67 -0.12 0.00 -0.44 0.00 0.00 62.40 62.65 1ug8 h SER 6 CO -0.29 -0.30 0.51 1.23 -0.53 0.00 0.00 176.83 177.44 1ug8 h GLY 7 N -0.01 1.74 0.69 5.77 0.00 -0.72 0.58 103.07 111.12 1ug8 h GLY 7 Ca 0.40 -0.25 0.06 0.00 0.00 0.00 0.00 47.33 47.54 1ug8 h GLY 7 CO -0.98 -0.24 0.46 -1.80 0.00 0.00 0.00 176.54 173.98 1ug8 h ASP 8 N 0.52 0.70 1.36 0.19 1.82 0.28 0.88 116.42 122.17 1ug8 h ASP 8 Ca 0.60 0.02 0.00 0.00 -0.39 0.00 0.00 57.03 57.27 1ug8 h ASP 8 Cb 1.13 -0.12 0.00 0.00 0.68 0.00 0.00 39.33 41.02 1ug8 h ASP 8 CO -0.49 0.44 -0.04 0.00 -1.61 0.00 0.00 179.24 177.55 1ug8 n GLN 9 N -4.70 0.22 -0.04 0.28 6.02 0.16 -2.06 117.38 117.26 1ug8 n GLN 9 Ca 0.11 0.17 -0.18 0.00 -0.01 0.00 0.00 57.00 57.09 1ug8 n GLN 9 Cb 0.18 -1.75 -0.13 0.00 1.02 0.00 0.00 30.24 29.56 1ug8 n GLN 9 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.06 175.83 1ug8 h LYS 10 N 0.00 0.10 -0.32 -1.09 3.64 0.28 -2.20 116.57 116.98 1ug8 h LYS 10 Ca 0.00 -0.17 -0.09 0.00 -1.27 0.00 0.00 60.65 59.13 1ug8 h LYS 10 Cb 0.70 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.57 1ug8 h LYS 10 CO 0.00 1.08 -0.17 1.57 -2.27 0.00 0.00 179.45 179.66 1ug8 h LYS 11 N -0.75 0.58 0.30 1.90 2.10 0.57 0.61 116.57 121.87 1ug8 h LYS 11 Ca -0.18 -0.19 -0.01 0.00 -2.00 0.00 0.00 60.65 58.27 1ug8 h LYS 11 Cb 1.34 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 32.62 1ug8 h LYS 11 CO -0.02 0.72 -0.14 0.35 -2.00 0.00 0.00 179.45 178.36 1ug8 h PHE 12 N 0.52 -0.37 -0.30 0.07 3.04 -1.53 -1.65 116.94 116.72 1ug8 h PHE 12 Ca 0.09 -0.01 0.04 0.00 3.98 0.00 0.00 57.97 62.07 1ug8 h PHE 12 Cb 0.59 0.12 -0.04 0.00 2.56 0.00 0.00 35.95 39.18 1ug8 h PHE 12 CO 0.02 -0.02 0.07 0.97 -2.02 0.00 0.00 178.31 177.34 1ug8 h ILE 13 N -0.84 0.87 -0.20 1.41 6.09 -1.36 -1.97 117.51 121.52 1ug8 h ILE 13 Ca -0.04 -0.06 0.06 0.00 -1.37 0.00 0.00 64.86 63.44 1ug8 h ILE 13 Cb 0.52 0.67 -0.07 0.00 0.47 0.00 0.00 36.82 38.41 1ug8 h ILE 13 CO 0.07 0.03 -0.30 -0.78 -3.07 0.00 0.00 178.15 174.10 1ug8 h ASP 14 N 0.19 -0.95 -0.98 2.19 3.58 -0.91 0.18 116.42 119.72 1ug8 h ASP 14 Ca 0.14 0.15 0.25 0.00 0.42 0.00 0.00 57.03 57.99 1ug8 h ASP 14 Cb 0.14 0.42 -0.13 0.00 1.72 0.00 0.00 39.33 41.48 1ug8 h ASP 14 CO -0.17 -0.33 0.54 1.56 -2.88 0.00 0.00 179.24 177.96 1ug8 h GLN 15 N -0.34 0.50 0.00 0.28 4.20 -0.71 0.17 115.11 119.22 1ug8 h GLN 15 Ca 0.12 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.80 1ug8 h GLN 15 Cb 0.52 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.19 1ug8 h GLN 15 CO -0.39 0.33 -0.00 0.28 -0.67 0.00 0.00 178.83 178.38 1ug8 h VAL 16 N 0.51 1.23 -0.99 -0.54 2.07 -0.10 -3.03 116.25 115.40 1ug8 h VAL 16 Ca 0.63 -0.69 0.17 0.00 0.82 0.00 0.00 66.70 67.63 1ug8 h VAL 16 Cb 1.23 1.70 -0.17 0.00 -1.52 0.00 0.00 31.29 32.53 1ug8 h VAL 16 CO -0.50 0.18 -0.35 0.40 0.02 0.00 0.00 177.57 177.32 1ug8 h ILE 17 N -0.30 0.01 -0.33 4.57 1.08 0.20 0.66 117.51 123.41 1ug8 h ILE 17 Ca -0.00 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.54 1ug8 h ILE 17 Cb 0.29 0.01 -0.08 0.00 -3.07 0.00 0.00 36.82 33.97 1ug8 h ILE 17 CO 0.00 0.00 -0.25 -0.33 -0.69 0.00 0.00 178.15 176.88 1ug8 h GLU 18 N -0.00 -0.21 -0.97 2.37 4.39 -1.30 0.62 114.58 119.47 1ug8 h GLU 18 Ca 0.38 0.01 0.17 0.00 0.34 0.00 0.00 59.36 60.26 1ug8 h GLU 18 Cb 0.63 0.05 -0.09 0.00 -0.10 0.00 0.00 28.75 29.24 1ug8 h GLU 18 CO -0.99 -0.14 0.61 0.87 -1.16 0.00 0.00 179.01 178.20 1ug8 h LYS 19 N -0.21 0.73 0.44 2.33 1.57 0.32 0.20 116.57 121.95 1ug8 h LYS 19 Ca 0.16 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.88 1ug8 h LYS 19 Cb 0.47 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1ug8 h LYS 19 CO -0.45 0.48 -0.21 0.82 -0.57 0.00 0.00 179.45 179.52 1ug8 h ILE 20 N 0.75 0.00 -0.76 1.86 2.04 0.16 -0.87 117.51 120.70 1ug8 h ILE 20 Ca 0.52 -0.29 0.09 0.00 1.00 0.00 0.00 64.86 66.18 1ug8 h ILE 20 Cb 0.82 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.78 1ug8 h ILE 20 CO -0.29 0.00 -0.50 -0.33 0.00 0.00 0.00 178.15 177.03 1ug8 h GLU 21 N -0.89 -0.13 -0.24 2.37 5.08 0.63 0.89 114.58 122.29 1ug8 h GLU 21 Ca -0.06 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.37 1ug8 h GLU 21 Cb 0.45 0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.67 1ug8 h GLU 21 CO 0.10 -0.09 -0.21 0.22 -1.00 0.00 0.00 179.01 178.03 1ug8 h ASP 22 N -0.14 -0.68 -0.95 1.42 3.58 -0.70 0.67 116.42 119.61 1ug8 h ASP 22 Ca 0.19 0.13 0.12 0.00 0.42 0.00 0.00 57.03 57.88 1ug8 h ASP 22 Cb 0.53 0.33 -0.08 0.00 1.72 0.00 0.00 39.33 41.83 1ug8 h ASP 22 CO -0.81 -0.25 0.61 0.15 -2.88 0.00 0.00 179.24 176.06 1ug8 h PHE 23 N -0.21 1.03 -0.33 0.28 3.57 0.84 0.48 116.94 122.60 1ug8 h PHE 23 Ca 0.14 0.03 -0.16 0.00 3.53 0.00 0.00 57.97 61.51 1ug8 h PHE 23 Cb 0.42 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 38.83 1ug8 h PHE 23 CO -0.37 0.42 -0.42 -0.07 -2.23 0.00 0.00 178.31 175.64 1ug8 h LEU 24 N 0.90 0.88 -0.71 0.59 3.38 0.27 -3.03 115.31 117.60 1ug8 h LEU 24 Ca 0.47 -0.41 0.02 0.00 0.09 0.00 0.00 57.88 58.04 1ug8 h LEU 24 Cb 0.52 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.98 1ug8 h LEU 24 CO -0.23 1.18 0.46 1.56 0.09 0.00 0.00 178.44 181.50 1ug8 h GLN 25 N 0.67 0.89 -7.04 1.13 1.08 0.23 -3.42 115.11 108.65 1ug8 h GLN 25 Ca 0.05 -0.05 -0.54 0.00 -1.45 0.00 0.00 58.65 56.65 1ug8 h GLN 25 Cb 0.99 -0.20 0.12 0.00 -0.05 0.00 0.00 27.48 28.34 1ug8 h GLN 25 CO 0.10 0.59 0.59 0.45 -0.95 0.00 0.00 178.83 179.60 1ug8 s SER 26 N -5.80 5.46 -0.09 1.46 0.15 -0.20 -4.98 113.70 109.70 1ug8 s SER 26 Ca -0.13 2.68 -0.07 0.00 0.70 0.00 0.00 55.95 59.13 1ug8 s SER 26 Cb 0.15 -2.63 -0.02 0.00 -1.71 0.00 0.00 66.02 61.80 1ug8 s SER 26 CO 0.77 -1.43 -0.14 -0.62 1.20 0.00 0.00 173.24 173.02 1ug8 n GLU 27 N -0.90 0.30 -0.30 5.44 1.02 -1.26 -4.43 120.64 120.51 1ug8 n GLU 27 Ca 0.10 0.36 0.08 0.00 -0.02 0.00 0.00 57.16 57.68 1ug8 n GLU 27 Cb 0.45 -1.29 0.18 0.00 -0.02 0.00 0.00 31.44 30.76 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 -0.64 0.04 -6.02 3.49 4.22 -1.95 -3.40 114.58 110.32 1ug8 h GLU 28 Ca 0.00 -0.00 -0.77 0.00 0.08 0.00 0.00 59.36 58.67 1ug8 h GLU 28 Cb 0.39 -0.01 0.06 0.00 0.50 0.00 0.00 28.75 29.69 1ug8 h GLU 28 CO 0.00 0.03 0.01 1.63 -2.18 0.00 0.00 179.01 178.50 1ug8 n LYS 29 N -5.45 0.07 -0.01 1.92 5.02 -1.26 -4.85 118.16 113.59 1ug8 n LYS 29 Ca 0.16 0.03 -0.02 0.00 -2.02 0.00 0.00 58.31 56.46 1ug8 n LYS 29 Cb 0.55 -1.48 -0.01 0.00 -0.02 0.00 0.00 35.03 34.07 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 1.24 -3.78 1.97 5.12 -1.26 -4.96 116.66 116.49 1ug8 n ARG 30 Ca 0.20 0.01 -0.13 0.00 -1.93 0.00 0.00 57.85 56.00 1ug8 n ARG 30 Cb 0.11 -1.05 -0.12 0.00 -1.16 0.00 0.00 32.46 30.23 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 -3.93 -0.23 0.10 0.55 1.04 -1.26 -1.94 113.70 108.02 1ug8 s SER 31 Ca -0.03 0.45 0.03 0.00 0.48 0.00 0.00 55.95 56.88 1ug8 s SER 31 Cb 0.01 0.42 -0.04 0.00 0.10 0.00 0.00 66.02 66.51 1ug8 s SER 31 CO 0.07 -0.10 0.14 -0.22 0.98 0.00 0.00 173.24 174.11 1ug8 s LEU 32 N 0.50 4.00 -0.16 2.42 2.96 0.22 -4.92 118.68 123.71 1ug8 s LEU 32 Ca -0.03 0.06 0.00 0.00 -0.22 0.00 0.00 54.13 53.94 1ug8 s LEU 32 Cb -0.05 -2.64 0.03 0.00 0.50 0.00 0.00 46.19 44.03 1ug8 s LEU 32 CO -0.03 0.14 -0.14 -1.61 -1.32 0.00 0.00 176.35 173.40 1ug8 s GLU 33 N -2.64 2.26 0.55 1.98 2.02 -1.26 0.72 118.70 122.33 1ug8 s GLU 33 Ca 0.32 -0.61 0.06 0.00 0.02 0.00 0.00 54.97 54.75 1ug8 s GLU 33 Cb -0.12 -2.17 0.06 0.00 0.10 0.00 0.00 34.13 32.00 1ug8 s GLU 33 CO 0.24 -0.27 0.75 -0.51 0.02 0.00 0.00 175.26 175.50 1ug8 s LEU 34 N 1.47 3.29 0.44 1.80 1.43 0.89 -5.01 118.68 122.99 1ug8 s LEU 34 Ca 0.04 -0.46 -0.23 0.00 -1.03 0.00 0.00 54.13 52.45 1ug8 s LEU 34 Cb -0.13 -2.26 -0.08 0.00 0.03 0.00 0.00 46.19 43.74 1ug8 s LEU 34 CO -0.10 -1.21 1.09 1.51 0.23 0.00 0.00 176.35 177.86 1ug8 s ASP 35 N -4.53 6.45 -0.56 2.29 1.47 -1.26 -4.09 116.67 116.45 1ug8 s ASP 35 Ca 0.60 2.11 -0.28 0.00 1.18 0.00 0.00 52.55 56.16 1ug8 s ASP 35 Cb -0.08 -2.59 0.01 0.00 -0.34 0.00 0.00 42.92 39.92 1ug8 s ASP 35 CO 0.38 -0.71 1.49 -2.16 0.68 0.00 0.00 175.17 174.85 1ug8 s PRO 36 N -2.72 3.22 1.07 2.11 0.04 -1.26 -4.09 135.00 133.37 1ug8 s PRO 36 Ca 0.62 0.52 -0.12 0.00 0.04 0.00 0.00 61.00 62.06 1ug8 s PRO 36 Cb -0.23 -4.16 0.23 0.00 0.04 0.00 0.00 34.50 30.38 1ug8 s PRO 36 CO 0.28 -2.03 1.06 0.00 0.04 0.00 0.00 177.00 176.35 1ug8 n THR 38 N -4.58 0.15 0.00 0.00 5.66 -1.26 -4.92 114.28 109.33 1ug8 n THR 38 Ca 0.05 -0.22 0.00 0.00 -3.05 0.00 0.00 64.05 60.83 1ug8 n THR 38 Cb 0.55 0.26 0.00 0.00 -1.55 0.00 0.00 70.33 69.58 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 1.38 0.23 0.46 1.09 0.00 -1.26 -4.98 105.19 102.11 1ug8 n GLY 39 Ca 0.02 0.08 -0.17 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.48 1.61 3.57 -2.00 -1.70 116.94 115.78 1ug8 h PHE 40 Ca 0.00 -0.01 0.43 0.00 3.53 0.00 0.00 57.97 61.92 1ug8 h PHE 40 Cb 0.00 0.41 -0.06 0.00 2.79 0.00 0.00 35.95 39.09 1ug8 h PHE 40 CO 0.00 -0.65 1.09 1.96 -2.23 0.00 0.00 178.31 178.48 1ug8 h GLN 41 N -1.07 0.00 0.14 1.11 1.08 -1.96 0.58 115.11 114.98 1ug8 h GLN 41 Ca -0.09 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.10 1ug8 h GLN 41 Cb 0.86 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.29 1ug8 h GLN 41 CO 0.10 0.00 -0.07 -0.09 -0.95 0.00 0.00 178.83 177.82 1ug8 h ARG 42 N 0.00 -0.18 -0.14 1.46 9.65 -1.68 -2.28 114.38 121.21 1ug8 h ARG 42 Ca 0.70 0.01 0.04 0.00 -1.10 0.00 0.00 59.98 59.63 1ug8 h ARG 42 Cb 2.87 0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 31.49 1ug8 h ARG 42 CO -0.01 0.18 0.11 1.57 2.80 0.00 0.00 179.97 184.63 1ug8 h LYS 43 N -0.57 0.00 0.16 0.20 2.10 0.63 -1.25 116.57 117.84 1ug8 h LYS 43 Ca -0.02 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.62 1ug8 h LYS 43 Cb 0.44 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.77 1ug8 h LYS 43 CO 0.03 0.00 -0.08 -0.07 -2.00 0.00 0.00 179.45 177.33 1ug8 h LEU 44 N 0.00 -0.19 -0.06 7.07 3.38 -0.93 0.27 115.31 124.86 1ug8 h LEU 44 Ca 0.06 -0.20 0.03 0.00 0.09 0.00 0.00 57.88 57.87 1ug8 h LEU 44 Cb 0.29 0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.05 1ug8 h LEU 44 CO -0.00 0.11 -0.17 0.40 0.09 0.00 0.00 178.44 178.86 1ug8 h ILE 45 N -0.49 0.56 -0.24 1.22 2.04 -0.69 0.71 117.51 120.63 1ug8 h ILE 45 Ca -0.02 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.87 1ug8 h ILE 45 Cb 0.38 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 36.99 1ug8 h ILE 45 CO 0.04 0.00 0.03 1.88 0.00 0.00 0.00 178.15 180.09 1ug8 h TYR 46 N -0.25 0.04 -0.15 1.37 0.05 -1.27 0.17 116.97 116.93 1ug8 h TYR 46 Ca 0.08 0.02 0.05 0.00 0.05 0.00 0.00 58.73 58.92 1ug8 h TYR 46 Cb 0.36 0.02 -0.06 0.00 1.01 0.00 0.00 36.73 38.06 1ug8 h TYR 46 CO -0.26 -0.01 -0.24 1.96 -1.05 0.00 0.00 178.16 178.57 1ug8 h GLN 47 N 0.11 -0.28 0.72 4.88 1.08 0.10 0.71 115.11 122.43 1ug8 h GLN 47 Ca 0.11 0.02 -0.03 0.00 -1.45 0.00 0.00 58.65 57.30 1ug8 h GLN 47 Cb 0.13 0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.62 1ug8 h GLN 47 CO -0.17 -0.19 -0.41 1.15 -0.95 0.00 0.00 178.83 178.27 1ug8 h THR 48 N -0.29 0.00 -0.08 -0.54 2.02 -0.51 -1.23 112.91 112.28 1ug8 h THR 48 Ca 0.11 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.31 1ug8 h THR 48 Cb 0.45 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 66.86 1ug8 h THR 48 CO -0.32 0.00 0.38 -0.07 0.37 0.00 0.00 175.52 175.88 1ug8 h LEU 49 N -1.04 0.00 -0.93 2.58 3.38 -0.47 1.59 115.31 120.41 1ug8 h LEU 49 Ca -0.10 0.00 0.08 0.00 0.09 0.00 0.00 57.88 57.96 1ug8 h LEU 49 Cb 0.82 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.50 1ug8 h LEU 49 CO 0.12 0.00 0.58 -1.28 0.09 0.00 0.00 178.44 177.95 1ug8 h SER 50 N 0.00 0.89 0.00 -0.43 0.87 0.17 0.38 113.55 115.43 1ug8 h SER 50 Ca 0.04 0.03 -0.17 0.00 -1.23 0.00 0.00 61.79 60.46 1ug8 h SER 50 Cb 0.79 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 62.57 1ug8 h SER 50 CO -0.00 0.53 -1.64 -2.67 -0.53 0.00 0.00 176.83 172.52 1ug8 n TRP 51 N -4.61 0.00 0.25 2.24 4.27 0.78 -3.73 117.44 116.64 1ug8 n TRP 51 Ca 0.15 0.00 0.07 0.00 -3.89 0.00 0.00 57.50 53.83 1ug8 n TRP 51 Cb 0.24 -0.46 0.59 0.00 -1.36 0.00 0.00 31.31 30.33 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 0.00 -0.99 -2.67 1.57 0.21 -3.37 116.57 111.33 1ug8 h LYS 52 Ca -0.25 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.41 1ug8 h LYS 52 Cb 1.54 0.00 -0.17 0.00 0.08 0.00 0.00 32.23 33.68 1ug8 h LYS 52 CO 0.00 0.08 -0.47 0.71 -0.57 0.00 0.00 179.45 179.20 1ug8 s TYR 53 N -4.86 -1.64 0.07 -1.35 2.02 0.13 -4.95 117.35 106.77 1ug8 s TYR 53 Ca -0.05 -0.30 -0.15 0.00 -0.37 0.00 0.00 57.07 56.21 1ug8 s TYR 53 Cb 0.16 0.32 -0.21 0.00 -0.40 0.00 0.00 41.96 41.83 1ug8 s TYR 53 CO 0.68 -1.23 1.21 -1.00 -1.57 0.00 0.00 175.55 173.63 1ug8 h PRO 54 N 5.63 0.66 -3.08 -1.71 0.13 -1.63 -3.41 132.00 128.59 1ug8 h PRO 54 Ca 0.06 -0.65 -0.44 0.00 -0.87 0.00 0.00 66.00 64.11 1ug8 h PRO 54 Cb 1.13 0.17 -0.40 0.00 0.13 0.00 0.00 31.00 32.03 1ug8 h PRO 54 CO 0.04 1.25 -0.74 -1.59 -0.23 0.00 0.00 178.00 176.72 1ug8 s LYS 55 N -3.46 0.04 0.00 0.86 -2.85 -1.26 -4.86 119.74 108.21 1ug8 s LYS 55 Ca -0.11 0.03 0.00 0.00 -1.00 0.00 0.00 55.97 54.89 1ug8 s LYS 55 Cb 0.07 -1.53 0.00 0.00 -2.06 0.00 0.00 37.83 34.30 1ug8 s LYS 55 CO 0.89 -0.60 0.00 0.41 0.10 0.00 0.00 175.35 176.15 1ug8 n GLY 56 N 5.29 1.33 3.41 0.59 0.00 -1.26 -4.94 105.19 109.60 1ug8 n GLY 56 Ca -0.06 -0.10 -0.20 0.00 0.00 0.00 0.00 46.02 45.66 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 1.38 -0.17 -0.61 -5.25 -1.26 -1.09 121.20 114.19 1ug8 s ILE 57 Ca 0.00 -2.07 -0.00 0.00 -0.99 0.00 0.00 60.65 57.59 1ug8 s ILE 57 Cb 0.00 -2.50 0.04 0.00 2.95 0.00 0.00 42.46 42.96 1ug8 s ILE 57 CO 0.00 -0.24 -0.05 -2.28 -1.79 0.00 0.00 174.94 170.57 1ug8 s HIS 58 N -3.18 1.77 -0.05 1.37 2.46 -0.53 -4.80 115.29 112.33 1ug8 s HIS 58 Ca 0.31 -1.16 -0.15 0.00 0.47 0.00 0.00 55.06 54.53 1ug8 s HIS 58 Cb 0.05 -1.34 -0.05 0.00 -0.13 0.00 0.00 32.58 31.11 1ug8 s HIS 58 CO 0.12 -0.64 0.41 0.08 -2.47 0.00 0.00 174.74 172.24 1ug8 s VAL 59 N 1.61 5.11 -0.02 0.89 1.01 -1.26 -0.18 120.40 127.55 1ug8 s VAL 59 Ca 0.00 0.83 -0.07 0.00 0.00 0.00 0.00 61.98 62.74 1ug8 s VAL 59 Cb -0.16 -3.73 0.01 0.00 0.00 0.00 0.00 36.38 32.50 1ug8 s VAL 59 CO -0.08 0.49 0.15 -1.83 0.00 0.00 0.00 175.10 173.83 1ug8 s GLU 60 N -0.45 0.37 -0.46 2.72 -1.05 0.26 -4.97 118.70 115.12 1ug8 s GLU 60 Ca 0.23 -0.16 -0.14 0.00 -0.15 0.00 0.00 54.97 54.76 1ug8 s GLU 60 Cb -0.16 0.16 0.08 0.00 -0.44 0.00 0.00 34.13 33.76 1ug8 s GLU 60 CO 0.11 -0.08 0.37 0.99 0.95 0.00 0.00 175.26 177.61 1ug8 s THR 61 N -0.81 5.02 -0.10 1.83 2.01 -1.26 0.80 115.64 123.13 1ug8 s THR 61 Ca -0.09 -1.15 -0.06 0.00 0.31 0.00 0.00 61.69 60.71 1ug8 s THR 61 Cb -0.05 -4.02 -0.04 0.00 0.01 0.00 0.00 72.50 68.40 1ug8 s THR 61 CO 0.01 -0.57 0.14 -0.76 -0.69 0.00 0.00 174.62 172.74 1ug8 s LEU 62 N 1.59 4.31 -0.09 4.42 1.43 -0.55 -4.85 118.68 124.94 1ug8 s LEU 62 Ca 0.04 0.42 0.03 0.00 -1.03 0.00 0.00 54.13 53.58 1ug8 s LEU 62 Cb -0.24 -2.15 0.01 0.00 0.03 0.00 0.00 46.19 43.84 1ug8 s LEU 62 CO 0.06 0.38 -0.18 -0.70 0.23 0.00 0.00 176.35 176.14 1ug8 s GLU 63 N -1.19 2.41 0.00 1.70 -6.30 -1.26 0.59 118.70 114.65 1ug8 s GLU 63 Ca 0.17 -0.65 0.00 0.00 -2.50 0.00 0.00 54.97 51.99 1ug8 s GLU 63 Cb -0.12 -1.92 0.00 0.00 0.00 0.00 0.00 34.13 32.09 1ug8 s GLU 63 CO 0.07 0.05 0.00 0.25 0.02 0.00 0.00 175.26 175.65 1ug8 n THR 64 N 3.83 0.00 -0.06 -1.70 -2.24 -1.25 -4.85 114.28 108.01 1ug8 n THR 64 Ca -0.20 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.54 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 1.36 -0.02 3.42 -0.08 -1.26 -3.97 116.55 116.00 1ug8 n ASP 65 Ca 0.00 0.47 -0.21 0.00 -1.51 0.00 0.00 54.79 53.54 1ug8 n ASP 65 Cb 0.00 -0.75 -0.13 0.00 2.34 0.00 0.00 41.12 42.57 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 -3.99 0.73 -0.05 -0.67 2.85 -1.26 -4.25 118.16 111.52 1ug8 n LYS 66 Ca -0.06 0.27 -0.09 0.00 -1.05 0.00 0.00 58.31 57.38 1ug8 n LYS 66 Cb 0.24 -1.68 -0.02 0.00 -0.65 0.00 0.00 35.03 32.92 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 -0.04 0.18 -2.64 -1.58 3.64 -1.98 -3.48 116.57 110.67 1ug8 h LYS 67 Ca -0.44 -0.01 0.30 0.00 -1.27 0.00 0.00 60.65 59.23 1ug8 h LYS 67 Cb 1.96 -0.04 -0.10 0.00 -0.41 0.00 0.00 32.23 33.63 1ug8 h LYS 67 CO 0.03 0.12 -0.62 0.39 -2.27 0.00 0.00 179.45 177.11 1ug8 n GLU 68 N -5.04 -2.43 -1.50 1.90 1.02 -1.25 -4.51 120.64 108.83 1ug8 n GLU 68 Ca -0.02 1.75 -0.41 0.00 -0.02 0.00 0.00 57.16 58.45 1ug8 n GLU 68 Cb 0.08 -2.92 -0.11 0.00 -0.02 0.00 0.00 31.44 28.47 1ug8 n GLU 68 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1ug8 n ARG 69 N -3.82 0.37 -4.45 3.49 1.74 -1.23 -3.96 116.66 108.80 1ug8 n ARG 69 Ca -0.02 0.02 -0.21 0.00 -0.77 0.00 0.00 57.85 56.87 1ug8 n ARG 69 Cb 0.53 -2.12 -0.14 0.00 -1.02 0.00 0.00 32.46 29.71 1ug8 n ARG 69 CO 0.00 0.00 0.00 -3.38 -1.52 0.00 0.00 177.63 172.73 1ug8 s HIS 70 N 9.64 1.30 0.23 -1.55 -3.43 0.20 -4.36 115.29 117.32 1ug8 s HIS 70 Ca 1.22 -0.33 -0.30 0.00 -0.80 0.00 0.00 55.06 54.86 1ug8 s HIS 70 Cb -0.94 -0.79 -0.09 0.00 -1.43 0.00 0.00 32.58 29.34 1ug8 s HIS 70 CO 0.43 0.03 1.24 0.42 -2.00 0.00 0.00 174.74 174.86 1ug8 s ILE 71 N -0.72 3.29 -0.02 -5.38 1.01 -1.26 -1.48 121.20 116.64 1ug8 s ILE 71 Ca 0.03 1.14 0.02 0.00 0.00 0.00 0.00 60.65 61.84 1ug8 s ILE 71 Cb -0.07 -3.73 0.00 0.00 0.01 0.00 0.00 42.46 38.67 1ug8 s ILE 71 CO 0.01 0.21 -0.07 -0.69 0.00 0.00 0.00 174.94 174.40 1ug8 s VAL 72 N -0.37 0.58 0.14 2.92 1.01 0.24 -0.08 120.40 124.84 1ug8 s VAL 72 Ca 0.52 -0.26 0.06 0.00 0.00 0.00 0.00 61.98 62.31 1ug8 s VAL 72 Cb -0.35 -0.53 -0.04 0.00 0.00 0.00 0.00 36.38 35.46 1ug8 s VAL 72 CO 0.41 0.19 -0.01 -0.63 0.00 0.00 0.00 175.10 175.05 1ug8 s ILE 73 N 0.19 3.78 0.11 2.22 1.09 0.22 0.90 121.20 129.70 1ug8 s ILE 73 Ca -0.02 -1.26 0.01 0.00 -1.10 0.00 0.00 60.65 58.28 1ug8 s ILE 73 Cb -0.07 -2.85 -0.04 0.00 -1.06 0.00 0.00 42.46 38.44 1ug8 s ILE 73 CO -0.00 -0.00 -0.03 -0.55 -0.10 0.00 0.00 174.94 174.25 1ug8 s SER 74 N -2.64 0.96 -0.11 3.58 0.15 0.74 0.73 113.70 117.11 1ug8 s SER 74 Ca 0.26 -1.06 -0.29 0.00 0.70 0.00 0.00 55.95 55.56 1ug8 s SER 74 Cb -0.10 0.14 -0.01 0.00 -1.71 0.00 0.00 66.02 64.33 1ug8 s SER 74 CO 0.18 -0.54 0.97 -0.54 1.20 0.00 0.00 173.24 174.51 1ug8 s LYS 75 N -3.89 4.41 0.28 5.44 1.02 -0.82 -1.45 119.74 124.72 1ug8 s LYS 75 Ca 0.15 1.31 0.07 0.00 0.02 0.00 0.00 55.97 57.52 1ug8 s LYS 75 Cb 0.06 -3.54 -0.06 0.00 -0.52 0.00 0.00 37.83 33.77 1ug8 s LYS 75 CO -0.03 -0.30 -0.08 0.08 -0.92 0.00 0.00 175.35 174.10 1ug8 s VAL 76 N 1.96 1.77 0.04 3.17 1.01 -0.25 -4.83 120.40 123.28 1ug8 s VAL 76 Ca 0.46 -2.16 0.00 0.00 0.00 0.00 0.00 61.98 60.28 1ug8 s VAL 76 Cb -0.18 -2.41 -0.03 0.00 0.00 0.00 0.00 36.38 33.76 1ug8 s VAL 76 CO 0.17 -0.34 -0.04 -0.62 0.00 0.00 0.00 175.10 174.28 1ug8 s ASP 77 N -3.45 0.50 0.13 3.32 2.15 -1.26 -4.59 116.67 113.48 1ug8 s ASP 77 Ca 0.29 -0.74 -0.25 0.00 0.43 0.00 0.00 52.55 52.28 1ug8 s ASP 77 Cb 0.02 0.13 -0.03 0.00 -0.30 0.00 0.00 42.92 42.74 1ug8 s ASP 77 CO 0.12 -0.41 1.64 -0.33 -0.17 0.00 0.00 175.17 176.01 1ug8 h GLU 78 N 3.91 -0.33 -0.13 4.34 3.07 -1.93 0.17 114.58 123.68 1ug8 h GLU 78 Ca -0.34 0.02 0.02 0.00 -0.50 0.00 0.00 59.36 58.57 1ug8 h GLU 78 Cb 1.18 0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 29.16 1ug8 h GLU 78 CO 0.53 -0.22 0.09 1.05 -1.40 0.00 0.00 179.01 179.06 1ug8 h GLU 79 N -0.34 0.09 0.25 2.33 4.11 -2.01 -2.83 114.58 116.19 1ug8 h GLU 79 Ca 0.08 -0.01 -0.00 0.00 0.07 0.00 0.00 59.36 59.50 1ug8 h GLU 79 Cb 0.46 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 1ug8 h GLU 79 CO -0.26 0.06 -0.37 1.49 0.07 0.00 0.00 179.01 180.00 1ug8 h GLU 80 N 0.09 -0.63 -6.94 1.06 4.81 -1.37 -3.42 114.58 108.19 1ug8 h GLU 80 Ca 0.06 0.04 -0.55 0.00 -0.13 0.00 0.00 59.36 58.78 1ug8 h GLU 80 Cb 0.11 0.14 0.13 0.00 0.63 0.00 0.00 28.75 29.76 1ug8 h GLU 80 CO -0.01 -0.42 0.63 -2.13 -0.73 0.00 0.00 179.01 176.35 1ug8 n ARG 81 N -4.58 2.11 -0.02 1.92 3.00 -1.02 -4.94 116.66 113.12 1ug8 n ARG 81 Ca -0.08 0.75 -0.19 0.00 -0.00 0.00 0.00 57.85 58.34 1ug8 n ARG 81 Cb 0.32 -2.55 -0.13 0.00 0.00 0.00 0.00 32.46 30.09 1ug8 n ARG 81 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 1ug8 h SER 82 N 2.16 0.22 -3.82 6.15 4.64 -1.85 -3.48 113.55 117.57 1ug8 h SER 82 Ca -0.50 -0.88 0.16 0.00 -0.47 0.00 0.00 61.79 60.10 1ug8 h SER 82 Cb 1.28 -0.07 -0.09 0.00 -0.31 0.00 0.00 62.40 63.21 1ug8 h SER 82 CO 0.60 1.32 -0.73 0.61 -0.87 0.00 0.00 176.83 177.76 1ug8 n GLY 83 N 1.63 -3.23 3.55 -0.77 0.00 -1.26 -4.96 105.19 100.14 1ug8 n GLY 83 Ca -0.18 -1.16 -0.29 0.00 0.00 0.00 0.00 46.02 44.40 1ug8 n GLY 83 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ug8 n PRO 84 N -3.10 -2.15 -0.07 1.61 -0.04 -1.26 -5.03 135.00 124.97 1ug8 n PRO 84 Ca -0.04 -1.84 -0.07 0.00 -0.04 0.00 0.00 63.50 61.51 1ug8 n PRO 84 Cb 0.39 -1.45 -0.05 0.00 -0.04 0.00 0.00 33.50 32.35 1ug8 n PRO 84 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1ug8 h SER 85 N -2.17 0.00 0.00 3.54 0.02 -2.07 -3.41 113.55 109.46 1ug8 h SER 85 Ca -0.41 -0.28 -0.02 0.00 -0.84 0.00 0.00 61.79 60.25 1ug8 h SER 85 Cb 1.18 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.71 1ug8 h SER 85 CO 0.28 0.79 -0.18 0.28 -1.14 0.00 0.00 176.83 176.86 1ug8 h SER 86 N -1.00 0.00 0.00 3.07 0.02 -2.03 -3.57 113.55 110.04 1ug8 h SER 86 Ca -0.04 -0.28 0.00 0.00 -0.84 0.00 0.00 61.79 60.62 1ug8 h SER 86 Cb 0.49 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.03 1ug8 h SER 86 CO -0.03 0.74 0.00 0.61 -1.14 0.00 0.00 176.83 177.01