#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 -0.05 -0.02 1.61 0.01 -1.26 -5.04 113.70 108.95 1ug8 s SER 2 Ca 0.00 0.05 -0.22 0.00 1.31 0.00 0.00 55.95 57.09 1ug8 s SER 2 Cb 0.00 0.04 -0.14 0.00 0.21 0.00 0.00 66.02 66.13 1ug8 s SER 2 CO 0.00 -0.05 0.97 0.28 0.41 0.00 0.00 173.24 174.85 1ug8 h SER 3 N 2.07 -0.39 -0.24 2.44 0.02 -2.06 -2.90 113.55 112.48 1ug8 h SER 3 Ca -0.08 -0.15 0.05 0.00 -0.84 0.00 0.00 61.79 60.77 1ug8 h SER 3 Cb 1.18 0.10 -0.08 0.00 0.14 0.00 0.00 62.40 63.75 1ug8 h SER 3 CO 0.22 0.04 -0.45 1.23 -1.14 0.00 0.00 176.83 176.73 1ug8 h GLY 4 N -0.95 -0.74 -0.64 -3.77 0.00 -2.00 -1.91 103.07 93.07 1ug8 h GLY 4 Ca -0.05 0.57 0.06 0.00 0.00 0.00 0.00 47.33 47.92 1ug8 h GLY 4 CO 0.08 -0.20 -0.54 0.23 0.00 0.00 0.00 176.54 176.11 1ug8 h SER 5 N -0.45 -1.88 -0.51 0.19 0.87 -1.97 -1.04 113.55 108.76 1ug8 h SER 5 Ca 0.09 0.27 0.05 0.00 -1.23 0.00 0.00 61.79 60.96 1ug8 h SER 5 Cb 0.62 0.80 -0.07 0.00 -0.44 0.00 0.00 62.40 63.31 1ug8 h SER 5 CO -0.48 -0.31 -0.38 0.28 -0.53 0.00 0.00 176.83 175.42 1ug8 h SER 6 N -0.21 -1.34 -0.98 6.23 0.02 -1.17 0.35 113.55 116.45 1ug8 h SER 6 Ca 0.11 0.20 0.29 0.00 -0.84 0.00 0.00 61.79 61.54 1ug8 h SER 6 Cb 0.48 0.58 -0.18 0.00 0.14 0.00 0.00 62.40 63.42 1ug8 h SER 6 CO -0.71 -0.19 0.10 1.23 -1.14 0.00 0.00 176.83 176.13 1ug8 h GLY 7 N -0.09 1.37 -0.72 -3.77 0.00 -0.49 0.82 103.07 100.19 1ug8 h GLY 7 Ca 0.08 0.11 0.10 0.00 0.00 0.00 0.00 47.33 47.62 1ug8 h GLY 7 CO -0.53 -0.54 -0.47 -1.80 0.00 0.00 0.00 176.54 173.20 1ug8 h ASP 8 N 0.02 -1.66 0.30 0.19 3.58 0.79 0.72 116.42 120.36 1ug8 h ASP 8 Ca 0.62 0.28 -0.24 0.00 0.42 0.00 0.00 57.03 58.11 1ug8 h ASP 8 Cb 1.34 0.77 0.01 0.00 1.72 0.00 0.00 39.33 43.16 1ug8 h ASP 8 CO -0.88 -0.30 -1.00 1.56 -2.88 0.00 0.00 179.24 175.73 1ug8 h GLN 9 N -0.13 0.46 -0.95 0.28 4.20 -0.17 -3.06 115.11 115.74 1ug8 h GLN 9 Ca 0.21 -0.52 0.20 0.00 0.06 0.00 0.00 58.65 58.60 1ug8 h GLN 9 Cb 0.54 0.15 -0.11 0.00 0.30 0.00 0.00 27.48 28.36 1ug8 h GLN 9 CO -0.81 1.17 0.53 -0.22 -0.67 0.00 0.00 178.83 178.82 1ug8 h LYS 10 N 0.25 0.61 -0.21 1.46 1.63 0.28 0.59 116.57 121.17 1ug8 h LYS 10 Ca -0.10 -0.04 -0.06 0.00 -0.85 0.00 0.00 60.65 59.60 1ug8 h LYS 10 Cb 1.65 -0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 33.13 1ug8 h LYS 10 CO 0.18 0.40 -0.12 0.87 -3.45 0.00 0.00 179.45 177.33 1ug8 h LYS 11 N 0.63 0.45 0.58 1.90 6.56 0.34 -1.28 116.57 125.74 1ug8 h LYS 11 Ca 0.56 -0.20 -0.02 0.00 -1.06 0.00 0.00 60.65 59.93 1ug8 h LYS 11 Cb 0.94 -0.01 -0.01 0.00 -0.57 0.00 0.00 32.23 32.59 1ug8 h LYS 11 CO -0.43 0.75 -0.39 0.35 -2.06 0.00 0.00 179.45 177.67 1ug8 h PHE 12 N 0.15 -1.04 -0.75 -1.35 3.04 -0.57 0.12 116.94 116.54 1ug8 h PHE 12 Ca 0.04 -0.01 0.12 0.00 3.98 0.00 0.00 57.97 62.11 1ug8 h PHE 12 Cb 0.62 0.38 -0.08 0.00 2.56 0.00 0.00 35.95 39.42 1ug8 h PHE 12 CO 0.07 -0.58 0.35 0.97 -2.02 0.00 0.00 178.31 177.10 1ug8 h ILE 13 N -0.93 0.76 0.35 1.41 6.09 -0.02 -1.52 117.51 123.65 1ug8 h ILE 13 Ca -0.07 -0.19 -0.00 0.00 -1.37 0.00 0.00 64.86 63.23 1ug8 h ILE 13 Cb 0.77 0.16 -0.02 0.00 0.47 0.00 0.00 36.82 38.19 1ug8 h ILE 13 CO 0.05 0.10 -0.38 -0.78 -3.07 0.00 0.00 178.15 174.07 1ug8 h ASP 14 N 0.56 -1.03 -1.12 2.19 1.82 -0.79 0.37 116.42 118.42 1ug8 h ASP 14 Ca 0.39 0.09 0.34 0.00 -0.39 0.00 0.00 57.03 57.46 1ug8 h ASP 14 Cb 0.50 0.35 -0.13 0.00 0.68 0.00 0.00 39.33 40.74 1ug8 h ASP 14 CO -0.33 -0.51 0.69 0.06 -1.61 0.00 0.00 179.24 177.54 1ug8 h GLN 15 N -0.76 0.26 -0.04 0.28 3.07 0.21 0.56 115.11 118.69 1ug8 h GLN 15 Ca -0.02 -0.02 -0.01 0.00 0.09 0.00 0.00 58.65 58.69 1ug8 h GLN 15 Cb 0.69 -0.06 -0.00 0.00 0.08 0.00 0.00 27.48 28.19 1ug8 h GLN 15 CO -0.08 0.17 -0.02 0.28 0.09 0.00 0.00 178.83 179.27 1ug8 h VAL 16 N 0.27 1.34 -0.93 1.86 2.07 -0.44 -3.05 116.25 117.38 1ug8 h VAL 16 Ca 0.72 -1.06 0.25 0.00 0.82 0.00 0.00 66.70 67.43 1ug8 h VAL 16 Cb 1.91 1.97 -0.17 0.00 -1.52 0.00 0.00 31.29 33.49 1ug8 h VAL 16 CO -0.45 0.29 0.06 0.40 0.02 0.00 0.00 177.57 177.88 1ug8 h ILE 17 N -0.32 0.12 -0.40 4.57 1.08 0.21 0.85 117.51 123.63 1ug8 h ILE 17 Ca 0.01 -0.02 0.08 0.00 -0.39 0.00 0.00 64.86 64.54 1ug8 h ILE 17 Cb 0.47 0.06 -0.07 0.00 -3.07 0.00 0.00 36.82 34.21 1ug8 h ILE 17 CO 0.01 0.01 -0.06 -0.33 -0.69 0.00 0.00 178.15 177.08 1ug8 h GLU 18 N 0.06 0.04 -0.36 2.37 4.39 -1.28 0.60 114.58 120.39 1ug8 h GLU 18 Ca 0.56 -0.00 0.04 0.00 0.34 0.00 0.00 59.36 60.30 1ug8 h GLU 18 Cb 1.13 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.73 1ug8 h GLU 18 CO -0.83 0.02 0.12 0.87 -1.16 0.00 0.00 179.01 178.03 1ug8 h LYS 19 N 0.04 0.25 0.58 2.33 1.57 0.67 -0.15 116.57 121.86 1ug8 h LYS 19 Ca 0.20 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.93 1ug8 h LYS 19 Cb 0.29 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.55 1ug8 h LYS 19 CO -0.38 0.17 -0.30 0.82 -0.57 0.00 0.00 179.45 179.18 1ug8 h ILE 20 N 0.26 0.00 -0.96 1.86 2.04 0.23 0.88 117.51 121.82 1ug8 h ILE 20 Ca 0.17 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.17 1ug8 h ILE 20 Cb 0.15 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.08 1ug8 h ILE 20 CO -0.18 0.00 -0.40 -0.62 0.00 0.00 0.00 178.15 176.95 1ug8 n GLU 21 N -4.27 -0.25 0.04 2.37 1.02 0.20 0.98 120.64 120.74 1ug8 n GLU 21 Ca -0.10 1.48 -0.11 0.00 -0.02 0.00 0.00 57.16 58.42 1ug8 n GLU 21 Cb 0.33 -2.20 -0.04 0.00 -0.02 0.00 0.00 31.44 29.51 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 -0.60 -0.87 1.62 1.82 -0.88 0.39 116.42 117.90 1ug8 h ASP 22 Ca 0.32 0.09 0.12 0.00 -0.39 0.00 0.00 57.03 57.16 1ug8 h ASP 22 Cb 0.56 0.25 -0.07 0.00 0.68 0.00 0.00 39.33 40.76 1ug8 h ASP 22 CO -0.95 -0.26 0.56 0.15 -1.61 0.00 0.00 179.24 177.13 1ug8 h PHE 23 N -0.30 0.86 -0.16 0.28 3.57 0.27 0.17 116.94 121.62 1ug8 h PHE 23 Ca 0.07 0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.45 1ug8 h PHE 23 Cb 0.40 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 38.85 1ug8 h PHE 23 CO -0.26 0.36 -0.49 -0.07 -2.23 0.00 0.00 178.31 175.62 1ug8 h LEU 24 N 0.76 0.47 -0.18 0.59 3.38 0.20 -3.11 115.31 117.43 1ug8 h LEU 24 Ca 0.42 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 1ug8 h LEU 24 Cb 0.57 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1ug8 h LEU 24 CO -0.19 0.89 0.06 1.56 0.09 0.00 0.00 178.44 180.86 1ug8 h GLN 25 N 0.35 0.28 -6.90 1.13 1.08 0.25 -3.43 115.11 107.87 1ug8 h GLN 25 Ca 0.02 -0.06 -0.56 0.00 -1.45 0.00 0.00 58.65 56.60 1ug8 h GLN 25 Cb 0.99 -0.04 0.14 0.00 -0.05 0.00 0.00 27.48 28.51 1ug8 h GLN 25 CO 0.09 0.37 0.44 0.45 -0.95 0.00 0.00 178.83 179.23 1ug8 n SER 26 N -4.83 2.15 -0.10 1.46 2.88 -0.23 -4.96 113.62 110.00 1ug8 n SER 26 Ca -0.04 0.99 -0.16 0.00 -1.33 0.00 0.00 58.87 58.33 1ug8 n SER 26 Cb 0.14 -1.50 -0.07 0.00 -0.75 0.00 0.00 64.21 62.03 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 -0.59 0.53 -0.10 -1.46 1.02 -1.26 -4.43 120.64 114.34 1ug8 n GLU 27 Ca 0.10 0.48 -0.06 0.00 -0.02 0.00 0.00 57.16 57.66 1ug8 n GLU 27 Cb 0.43 -1.66 0.01 0.00 -0.02 0.00 0.00 31.44 30.20 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 -0.09 -6.01 3.49 4.81 -1.95 -3.42 114.58 110.42 1ug8 h GLU 28 Ca -0.25 0.01 -0.79 0.00 -0.13 0.00 0.00 59.36 58.20 1ug8 h GLU 28 Cb 1.05 0.02 0.05 0.00 0.63 0.00 0.00 28.75 30.50 1ug8 h GLU 28 CO -0.15 -0.06 0.11 1.63 -0.73 0.00 0.00 179.01 179.81 1ug8 n LYS 29 N -5.34 0.04 -0.02 1.92 5.02 -1.26 -4.84 118.16 113.67 1ug8 n LYS 29 Ca 0.01 0.01 -0.02 0.00 -2.02 0.00 0.00 58.31 56.30 1ug8 n LYS 29 Cb 0.25 -1.52 -0.02 0.00 -0.02 0.00 0.00 35.03 33.72 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 1.68 1.60 -3.69 1.97 5.12 -1.26 -4.96 116.66 117.12 1ug8 n ARG 30 Ca 0.21 0.01 -0.13 0.00 -1.93 0.00 0.00 57.85 56.00 1ug8 n ARG 30 Cb 0.08 -1.07 -0.13 0.00 -1.16 0.00 0.00 32.46 30.17 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 -3.92 0.10 0.25 0.55 0.01 -1.26 -1.10 113.70 108.33 1ug8 s SER 31 Ca -0.03 0.53 -0.08 0.00 1.31 0.00 0.00 55.95 57.68 1ug8 s SER 31 Cb 0.01 0.52 -0.06 0.00 0.21 0.00 0.00 66.02 66.69 1ug8 s SER 31 CO 0.10 -0.20 0.54 -0.22 0.41 0.00 0.00 173.24 173.87 1ug8 s LEU 32 N 1.86 4.12 -0.15 2.44 2.96 0.11 -4.89 118.68 125.14 1ug8 s LEU 32 Ca -0.04 0.83 0.00 0.00 -0.22 0.00 0.00 54.13 54.70 1ug8 s LEU 32 Cb -0.11 -3.61 0.03 0.00 0.50 0.00 0.00 46.19 43.00 1ug8 s LEU 32 CO -0.08 -0.12 -0.11 -1.61 -1.32 0.00 0.00 176.35 173.11 1ug8 s GLU 33 N -3.11 2.00 0.60 1.98 2.02 -1.26 0.67 118.70 121.60 1ug8 s GLU 33 Ca 0.46 -0.51 0.02 0.00 0.02 0.00 0.00 54.97 54.95 1ug8 s GLU 33 Cb -0.11 -2.01 0.07 0.00 0.10 0.00 0.00 34.13 32.18 1ug8 s GLU 33 CO 0.25 -0.28 0.84 -0.51 0.02 0.00 0.00 175.26 175.57 1ug8 s LEU 34 N 1.54 3.18 0.43 1.80 1.43 0.11 -5.02 118.68 122.16 1ug8 s LEU 34 Ca 0.04 -0.25 -0.15 0.00 -1.03 0.00 0.00 54.13 52.74 1ug8 s LEU 34 Cb -0.13 -2.42 -0.08 0.00 0.03 0.00 0.00 46.19 43.59 1ug8 s LEU 34 CO -0.10 -1.38 0.86 -0.62 0.23 0.00 0.00 176.35 175.34 1ug8 s ASP 35 N -4.55 6.67 -0.24 2.29 2.15 -1.26 -4.27 116.67 117.45 1ug8 s ASP 35 Ca 0.61 1.39 -0.29 0.00 0.43 0.00 0.00 52.55 54.68 1ug8 s ASP 35 Cb -0.08 -2.43 -0.01 0.00 -0.30 0.00 0.00 42.92 40.11 1ug8 s ASP 35 CO 0.40 -0.42 1.32 -2.16 -0.17 0.00 0.00 175.17 174.14 1ug8 s PRO 36 N -3.65 4.03 0.87 4.34 0.04 -1.26 -4.38 135.00 134.99 1ug8 s PRO 36 Ca 0.56 1.45 -0.12 0.00 0.04 0.00 0.00 61.00 62.93 1ug8 s PRO 36 Cb -0.10 -3.85 0.15 0.00 0.04 0.00 0.00 34.50 30.74 1ug8 s PRO 36 CO 0.26 -0.97 1.21 0.00 0.04 0.00 0.00 177.00 177.53 1ug8 h THR 38 N -1.23 1.19 0.00 0.00 1.35 -1.98 -3.48 112.91 108.76 1ug8 h THR 38 Ca -0.43 -2.68 0.00 0.00 -0.55 0.00 0.00 66.41 62.75 1ug8 h THR 38 Cb 1.26 2.94 0.00 0.00 -1.73 0.00 0.00 68.15 70.63 1ug8 h THR 38 CO 0.45 0.83 0.00 0.61 -0.25 0.00 0.00 175.52 177.16 1ug8 n GLY 39 N 1.74 -0.49 0.30 5.82 0.00 -1.26 -5.00 105.19 106.29 1ug8 n GLY 39 Ca -0.18 0.34 -0.10 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.96 -0.84 1.61 3.57 -2.00 -1.56 116.94 116.76 1ug8 h PHE 40 Ca 0.00 0.03 0.19 0.00 3.53 0.00 0.00 57.97 61.72 1ug8 h PHE 40 Cb 0.00 0.41 -0.12 0.00 2.79 0.00 0.00 35.95 39.03 1ug8 h PHE 40 CO 0.00 -0.36 0.31 1.96 -2.23 0.00 0.00 178.31 177.99 1ug8 h GLN 41 N -0.45 0.36 -0.75 1.11 7.50 -1.97 0.21 115.11 121.11 1ug8 h GLN 41 Ca -0.00 -0.02 0.17 0.00 0.50 0.00 0.00 58.65 59.30 1ug8 h GLN 41 Cb 0.46 -0.08 -0.12 0.00 0.05 0.00 0.00 27.48 27.79 1ug8 h GLN 41 CO -0.19 0.24 0.12 -0.09 -1.50 0.00 0.00 178.83 177.41 1ug8 h ARG 42 N 0.37 0.19 0.00 1.46 9.65 -1.68 1.22 114.38 125.59 1ug8 h ARG 42 Ca 0.50 -0.01 -0.08 0.00 -1.10 0.00 0.00 59.98 59.29 1ug8 h ARG 42 Cb 0.90 -0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 29.42 1ug8 h ARG 42 CO -0.51 0.13 -0.36 1.57 2.80 0.00 0.00 179.97 183.60 1ug8 h LYS 43 N 0.20 0.00 -0.14 0.20 2.10 0.07 -2.32 116.57 116.67 1ug8 h LYS 43 Ca 0.43 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 59.03 1ug8 h LYS 43 Cb 0.76 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.09 1ug8 h LYS 43 CO -0.58 0.36 -0.11 -0.07 -2.00 0.00 0.00 179.45 177.05 1ug8 h LEU 44 N 0.00 0.34 -0.79 7.07 3.38 0.22 0.26 115.31 125.78 1ug8 h LEU 44 Ca -0.00 -0.46 0.05 0.00 0.09 0.00 0.00 57.88 57.56 1ug8 h LEU 44 Cb 0.73 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.33 1ug8 h LEU 44 CO 0.05 0.72 0.49 0.40 0.09 0.00 0.00 178.44 180.19 1ug8 h ILE 45 N -0.04 1.07 0.45 1.22 2.04 0.11 -0.21 117.51 122.16 1ug8 h ILE 45 Ca 0.03 -0.32 -0.02 0.00 1.00 0.00 0.00 64.86 65.54 1ug8 h ILE 45 Cb 0.62 0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.76 1ug8 h ILE 45 CO 0.03 0.17 -0.22 1.88 0.00 0.00 0.00 178.15 180.01 1ug8 h TYR 46 N 0.93 -0.56 -0.67 1.37 0.05 -1.31 -1.76 116.97 115.02 1ug8 h TYR 46 Ca 0.33 -0.01 0.12 0.00 0.05 0.00 0.00 58.73 59.22 1ug8 h TYR 46 Cb 0.09 0.19 -0.13 0.00 1.01 0.00 0.00 36.73 37.89 1ug8 h TYR 46 CO -0.04 -0.25 -0.30 1.96 -1.05 0.00 0.00 178.16 178.48 1ug8 h GLN 47 N -1.02 -0.10 0.00 4.88 1.08 -0.31 0.94 115.11 120.58 1ug8 h GLN 47 Ca -0.06 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.14 1ug8 h GLN 47 Cb 0.57 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.02 1ug8 h GLN 47 CO 0.10 -0.07 0.00 2.41 -0.95 0.00 0.00 178.83 180.32 1ug8 n THR 48 N -5.45 0.00 -0.12 -0.54 -1.04 -0.10 -1.60 114.28 105.43 1ug8 n THR 48 Ca 0.06 1.48 0.27 0.00 -2.04 0.00 0.00 64.05 63.82 1ug8 n THR 48 Cb 0.37 -2.40 0.60 0.00 -1.82 0.00 0.00 70.33 67.07 1ug8 n THR 48 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1ug8 h LEU 49 N 0.00 0.00 -0.97 -4.42 3.38 -0.91 1.74 115.31 114.13 1ug8 h LEU 49 Ca 0.00 0.00 0.14 0.00 0.09 0.00 0.00 57.88 58.11 1ug8 h LEU 49 Cb 0.00 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.66 1ug8 h LEU 49 CO 0.00 0.00 0.59 -1.28 0.09 0.00 0.00 178.44 177.84 1ug8 h SER 50 N 0.00 0.83 0.00 -0.43 0.87 0.19 0.62 113.55 115.63 1ug8 h SER 50 Ca 0.39 0.06 -0.17 0.00 -1.23 0.00 0.00 61.79 60.85 1ug8 h SER 50 Cb 2.17 -0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 64.01 1ug8 h SER 50 CO -0.00 0.40 -1.63 -2.67 -0.53 0.00 0.00 176.83 172.40 1ug8 n TRP 51 N -4.69 0.00 -0.04 2.24 4.27 0.32 -3.74 117.44 115.79 1ug8 n TRP 51 Ca 0.19 0.00 0.02 0.00 -3.89 0.00 0.00 57.50 53.83 1ug8 n TRP 51 Cb 0.41 -0.44 0.36 0.00 -1.36 0.00 0.00 31.31 30.28 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 0.62 -1.29 -2.67 1.57 0.22 -3.36 116.57 111.66 1ug8 h LYS 52 Ca -0.25 -0.05 -0.23 0.00 -1.87 0.00 0.00 60.65 58.25 1ug8 h LYS 52 Cb 1.52 -0.13 -0.21 0.00 0.08 0.00 0.00 32.23 33.49 1ug8 h LYS 52 CO 0.00 0.45 -0.58 0.71 -0.57 0.00 0.00 179.45 179.46 1ug8 s TYR 53 N -5.46 -1.08 0.09 -1.35 2.02 0.22 -4.95 117.35 106.84 1ug8 s TYR 53 Ca -0.09 -0.81 -0.12 0.00 -0.37 0.00 0.00 57.07 55.69 1ug8 s TYR 53 Cb 0.17 0.06 -0.18 0.00 -0.40 0.00 0.00 41.96 41.62 1ug8 s TYR 53 CO 0.75 -1.17 1.25 -1.00 -1.57 0.00 0.00 175.55 173.81 1ug8 h PRO 54 N 5.44 0.70 -3.55 -1.71 0.13 -1.63 -3.42 132.00 127.96 1ug8 h PRO 54 Ca 0.10 -0.68 -0.46 0.00 -0.87 0.00 0.00 66.00 64.09 1ug8 h PRO 54 Cb 1.08 0.17 -0.39 0.00 0.13 0.00 0.00 31.00 31.99 1ug8 h PRO 54 CO 0.09 1.27 -0.76 -1.59 -0.23 0.00 0.00 178.00 176.78 1ug8 s LYS 55 N -3.48 0.52 0.00 0.86 0.00 -1.26 -4.83 119.74 111.55 1ug8 s LYS 55 Ca -0.09 -0.09 0.00 0.00 0.00 0.00 0.00 55.97 55.79 1ug8 s LYS 55 Cb 0.08 -1.45 0.00 0.00 0.00 0.00 0.00 37.83 36.46 1ug8 s LYS 55 CO 0.91 -0.47 0.00 0.41 0.00 0.00 0.00 175.35 176.20 1ug8 n GLY 56 N 5.14 2.17 3.34 0.59 0.00 -1.26 -5.04 105.19 110.14 1ug8 n GLY 56 Ca -0.07 -0.23 -0.18 0.00 0.00 0.00 0.00 46.02 45.54 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 1.43 -0.22 -0.61 -5.25 -1.26 -0.84 121.20 114.45 1ug8 s ILE 57 Ca 0.00 -2.12 0.01 0.00 -0.99 0.00 0.00 60.65 57.55 1ug8 s ILE 57 Cb 0.00 -2.18 0.05 0.00 2.95 0.00 0.00 42.46 43.29 1ug8 s ILE 57 CO 0.00 -0.49 -0.07 -2.28 -1.79 0.00 0.00 174.94 170.31 1ug8 s HIS 58 N -3.16 2.35 -0.10 1.37 2.46 -0.49 -4.80 115.29 112.92 1ug8 s HIS 58 Ca 0.24 -1.65 -0.19 0.00 0.47 0.00 0.00 55.06 53.93 1ug8 s HIS 58 Cb 0.03 -1.58 -0.04 0.00 -0.13 0.00 0.00 32.58 30.86 1ug8 s HIS 58 CO 0.07 -0.75 0.53 0.08 -2.47 0.00 0.00 174.74 172.21 1ug8 s VAL 59 N 1.41 5.14 0.01 0.89 1.01 -1.26 -0.62 120.40 126.98 1ug8 s VAL 59 Ca -0.04 1.08 -0.02 0.00 0.00 0.00 0.00 61.98 63.01 1ug8 s VAL 59 Cb -0.18 -3.87 -0.01 0.00 0.00 0.00 0.00 36.38 32.32 1ug8 s VAL 59 CO -0.07 0.31 0.02 -1.83 0.00 0.00 0.00 175.10 173.54 1ug8 s GLU 60 N 0.62 0.27 -0.37 2.72 -1.05 0.20 -4.98 118.70 116.12 1ug8 s GLU 60 Ca 0.29 -0.38 -0.10 0.00 -0.15 0.00 0.00 54.97 54.64 1ug8 s GLU 60 Cb -0.16 0.10 0.03 0.00 -0.44 0.00 0.00 34.13 33.67 1ug8 s GLU 60 CO 0.12 -0.05 0.18 0.99 0.95 0.00 0.00 175.26 177.46 1ug8 s THR 61 N -1.02 4.35 -0.01 1.83 2.01 -1.26 0.89 115.64 122.43 1ug8 s THR 61 Ca -0.11 -0.96 0.01 0.00 0.31 0.00 0.00 61.69 60.94 1ug8 s THR 61 Cb -0.07 -3.45 -0.04 0.00 0.01 0.00 0.00 72.50 68.96 1ug8 s THR 61 CO -0.00 -0.24 0.01 -0.76 -0.69 0.00 0.00 174.62 172.94 1ug8 s LEU 62 N 1.51 3.57 -0.09 4.42 1.43 -0.69 -4.88 118.68 123.94 1ug8 s LEU 62 Ca 0.01 0.03 0.03 0.00 -1.03 0.00 0.00 54.13 53.17 1ug8 s LEU 62 Cb -0.19 -2.02 0.01 0.00 0.03 0.00 0.00 46.19 44.01 1ug8 s LEU 62 CO 0.05 0.29 -0.18 -0.70 0.23 0.00 0.00 176.35 176.05 1ug8 s GLU 63 N -1.49 2.44 0.00 1.70 2.12 -1.25 0.45 118.70 122.67 1ug8 s GLU 63 Ca 0.19 -0.66 0.00 0.00 0.36 0.00 0.00 54.97 54.86 1ug8 s GLU 63 Cb -0.12 -1.93 0.00 0.00 0.26 0.00 0.00 34.13 32.34 1ug8 s GLU 63 CO 0.10 0.07 0.00 0.25 -0.54 0.00 0.00 175.26 175.14 1ug8 n THR 64 N 3.78 0.00 -0.05 -1.70 -2.24 -1.16 -4.85 114.28 108.06 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 1.30 -0.06 3.42 2.03 -1.26 -3.97 116.55 118.01 1ug8 n ASP 65 Ca 0.00 0.45 -0.17 0.00 0.52 0.00 0.00 54.79 55.59 1ug8 n ASP 65 Cb 0.00 -0.74 -0.14 0.00 -0.72 0.00 0.00 41.12 39.53 1ug8 n ASP 65 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 1ug8 n LYS 66 N -3.91 0.69 0.25 -0.67 2.85 -1.26 -4.08 118.16 112.03 1ug8 n LYS 66 Ca -0.06 0.19 0.11 0.00 -1.05 0.00 0.00 58.31 57.49 1ug8 n LYS 66 Cb 0.23 -1.62 0.64 0.00 -0.65 0.00 0.00 35.03 33.63 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 0.00 0.00 -1.58 3.64 -1.98 -3.48 116.57 113.20 1ug8 h LYS 67 Ca -0.48 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1ug8 h LYS 67 Cb 2.01 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.83 1ug8 h LYS 67 CO 0.01 0.16 0.00 -1.91 -2.27 0.00 0.00 179.45 175.45 1ug8 n GLU 68 N -3.63 0.00 -1.71 1.90 2.13 -1.25 -3.87 120.64 114.20 1ug8 n GLU 68 Ca -0.01 0.00 -0.37 0.00 0.66 0.00 0.00 57.16 57.44 1ug8 n GLU 68 Cb 0.29 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 31.97 1ug8 n GLU 68 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 1ug8 s ARG 69 N 0.00 2.29 0.03 5.31 3.52 -1.24 -2.99 118.95 125.87 1ug8 s ARG 69 Ca 0.00 1.18 0.07 0.00 -0.13 0.00 0.00 55.73 56.85 1ug8 s ARG 69 Cb 0.00 -4.52 -0.02 0.00 -1.56 0.00 0.00 34.95 28.85 1ug8 s ARG 69 CO 0.00 -3.08 -0.19 -3.38 -0.81 0.00 0.00 175.30 167.84 1ug8 s HIS 70 N 11.16 1.68 0.21 5.12 -3.43 0.17 -4.63 115.29 125.58 1ug8 s HIS 70 Ca 0.88 -0.36 -0.30 0.00 -0.80 0.00 0.00 55.06 54.48 1ug8 s HIS 70 Cb -0.16 -1.01 -0.09 0.00 -1.43 0.00 0.00 32.58 29.89 1ug8 s HIS 70 CO 0.25 0.06 1.23 0.42 -2.00 0.00 0.00 174.74 174.70 1ug8 s ILE 71 N -0.76 3.38 -0.02 -5.38 1.01 -1.26 -1.70 121.20 116.47 1ug8 s ILE 71 Ca 0.06 1.20 0.02 0.00 0.00 0.00 0.00 60.65 61.93 1ug8 s ILE 71 Cb -0.08 -3.77 0.00 0.00 0.01 0.00 0.00 42.46 38.62 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 -0.26 0.60 0.15 2.92 1.01 0.26 -0.71 120.40 124.37 1ug8 s VAL 72 Ca 0.52 -0.28 0.07 0.00 0.00 0.00 0.00 61.98 62.29 1ug8 s VAL 72 Cb -0.34 -0.53 -0.04 0.00 0.00 0.00 0.00 36.38 35.46 1ug8 s VAL 72 CO 0.39 0.19 0.00 -0.63 0.00 0.00 0.00 175.10 175.05 1ug8 s ILE 73 N 0.10 3.81 0.09 2.22 1.09 0.21 0.62 121.20 129.34 1ug8 s ILE 73 Ca -0.01 -1.31 0.01 0.00 -1.10 0.00 0.00 60.65 58.24 1ug8 s ILE 73 Cb -0.06 -2.89 -0.04 0.00 -1.06 0.00 0.00 42.46 38.41 1ug8 s ILE 73 CO -0.00 -0.05 -0.06 -0.55 -0.10 0.00 0.00 174.94 174.18 1ug8 s SER 74 N -2.79 0.98 -0.17 3.58 0.15 0.21 0.10 113.70 115.75 1ug8 s SER 74 Ca 0.27 -0.99 -0.27 0.00 0.70 0.00 0.00 55.95 55.65 1ug8 s SER 74 Cb -0.10 0.12 -0.01 0.00 -1.71 0.00 0.00 66.02 64.32 1ug8 s SER 74 CO 0.19 -0.49 0.93 -0.54 1.20 0.00 0.00 173.24 174.53 1ug8 s LYS 75 N -3.79 4.31 0.31 5.44 1.02 -0.26 -1.40 119.74 125.37 1ug8 s LYS 75 Ca 0.10 1.20 0.09 0.00 0.02 0.00 0.00 55.97 57.39 1ug8 s LYS 75 Cb 0.05 -3.59 -0.06 0.00 -0.52 0.00 0.00 37.83 33.72 1ug8 s LYS 75 CO -0.06 -0.41 -0.12 0.08 -0.92 0.00 0.00 175.35 173.92 1ug8 s VAL 76 N 2.43 2.14 0.15 3.17 1.01 -0.02 -4.85 120.40 124.43 1ug8 s VAL 76 Ca 0.42 -2.24 -0.14 0.00 0.00 0.00 0.00 61.98 60.02 1ug8 s VAL 76 Cb -0.17 -2.48 0.02 0.00 0.00 0.00 0.00 36.38 33.75 1ug8 s VAL 76 CO 0.12 -0.30 0.38 -0.62 0.00 0.00 0.00 175.10 174.68 1ug8 s ASP 77 N -3.53 -0.13 -0.02 3.32 -1.08 -1.26 -4.56 116.67 109.41 1ug8 s ASP 77 Ca 0.31 -0.53 -0.24 0.00 -0.52 0.00 0.00 52.55 51.57 1ug8 s ASP 77 Cb 0.01 0.48 -0.20 0.00 -1.46 0.00 0.00 42.92 41.74 1ug8 s ASP 77 CO 0.14 -0.90 1.18 -0.08 0.52 0.00 0.00 175.17 176.04 1ug8 h GLU 78 N 2.41 0.16 0.00 4.34 4.22 -1.95 -2.91 114.58 120.85 1ug8 h GLU 78 Ca -0.32 -0.11 -0.02 0.00 0.08 0.00 0.00 59.36 58.99 1ug8 h GLU 78 Cb 1.24 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.51 1ug8 h GLU 78 CO 0.46 0.73 -0.08 1.05 -2.18 0.00 0.00 179.01 178.98 1ug8 h GLU 79 N -0.38 0.00 0.28 1.92 4.11 -2.02 -3.18 114.58 115.31 1ug8 h GLU 79 Ca -0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.41 1ug8 h GLU 79 Cb 0.74 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.99 1ug8 h GLU 79 CO 0.03 0.08 -0.13 1.49 0.07 0.00 0.00 179.01 180.54 1ug8 h GLU 80 N 0.00 -0.36 -6.82 1.06 4.81 -1.94 -3.43 114.58 107.90 1ug8 h GLU 80 Ca -0.00 0.02 -0.53 0.00 -0.13 0.00 0.00 59.36 58.73 1ug8 h GLU 80 Cb 0.40 0.08 0.07 0.00 0.63 0.00 0.00 28.75 29.93 1ug8 h GLU 80 CO 0.01 -0.24 0.73 0.50 -0.73 0.00 0.00 179.01 179.28 1ug8 s ARG 81 N -3.27 4.27 -0.26 1.92 6.06 -1.11 -4.94 118.95 121.62 1ug8 s ARG 81 Ca -0.06 2.32 -0.14 0.00 -2.50 0.00 0.00 55.73 55.36 1ug8 s ARG 81 Cb 0.01 -3.07 -0.14 0.00 0.06 0.00 0.00 34.95 31.80 1ug8 s ARG 81 CO 0.17 -0.37 -0.25 0.45 -2.50 0.00 0.00 175.30 172.80 1ug8 n SER 82 N 1.60 1.95 -4.65 -2.12 2.88 -1.26 -4.90 113.62 107.11 1ug8 n SER 82 Ca 0.04 0.32 -0.64 0.00 -1.33 0.00 0.00 58.87 57.25 1ug8 n SER 82 Cb 0.40 -0.82 -0.10 0.00 -0.75 0.00 0.00 64.21 62.95 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 1.36 0.27 3.80 0.46 0.00 -1.26 -4.90 105.19 104.92 1ug8 n GLY 83 Ca -0.50 1.01 -0.30 0.00 0.00 0.00 0.00 46.02 46.23 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 3.70 1.91 -0.06 1.61 0.04 -1.26 -5.02 135.00 135.93 1ug8 s PRO 84 Ca 1.06 0.57 -0.11 0.00 0.04 0.00 0.00 61.00 62.57 1ug8 s PRO 84 Cb -1.40 -1.90 -0.06 0.00 0.04 0.00 0.00 34.50 31.17 1ug8 s PRO 84 CO 0.75 -1.73 0.46 0.66 0.04 0.00 0.00 177.00 177.19 1ug8 h SER 85 N -1.16 -0.32 0.36 6.66 4.64 -2.02 -3.36 113.55 118.34 1ug8 h SER 85 Ca -0.48 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 60.83 1ug8 h SER 85 Cb 1.28 0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 63.44 1ug8 h SER 85 CO 0.60 0.14 -0.34 -1.28 -0.87 0.00 0.00 176.83 175.07 1ug8 h SER 86 N -1.10 -0.94 0.00 4.97 0.87 -2.02 -3.57 113.55 111.77 1ug8 h SER 86 Ca -0.04 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 1ug8 h SER 86 Cb 0.31 0.31 0.00 0.00 -0.44 0.00 0.00 62.40 62.58 1ug8 h SER 86 CO 0.06 -0.46 0.00 0.61 -0.53 0.00 0.00 176.83 176.52