#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lqw s LEU 2 N 0.00 4.50 0.00 -0.89 1.43 -1.26 -5.04 118.68 117.41 1lqw s LEU 2 Ca 0.00 2.18 0.03 0.00 -1.03 0.00 0.00 54.13 55.31 1lqw s LEU 2 Cb 0.00 -3.72 -0.01 0.00 0.03 0.00 0.00 46.19 42.48 1lqw s LEU 2 CO 0.00 -0.16 0.13 0.35 0.23 0.00 0.00 176.35 176.90 1lqw n THR 3 N 1.01 0.00 0.22 5.49 -2.24 -1.26 -4.82 114.28 112.68 1lqw n THR 3 Ca -0.00 -1.68 0.15 0.00 -2.27 0.00 0.00 64.05 60.24 1lqw n THR 3 Cb 0.46 0.66 0.79 0.00 -2.10 0.00 0.00 70.33 70.14 1lqw n THR 3 CO 0.00 0.00 0.00 0.24 -0.57 0.00 0.00 175.07 174.74 1lqw h MET 4 N 0.00 0.00 0.00 -0.78 0.00 -1.87 -1.44 114.93 110.84 1lqw h MET 4 Ca -0.21 0.00 -0.02 0.00 0.00 0.00 0.00 59.70 59.47 1lqw h MET 4 Cb 0.85 0.00 -0.00 0.00 0.00 0.00 0.00 31.60 32.45 1lqw h MET 4 CO 0.33 0.00 -0.12 1.57 0.00 0.00 0.00 176.91 178.69 1lqw h LYS 5 N 0.00 0.00 -0.00 1.72 2.10 -1.96 -2.16 116.57 116.27 1lqw h LYS 5 Ca 0.06 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.71 1lqw h LYS 5 Cb 0.31 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.64 1lqw h LYS 5 CO -0.00 0.12 -0.16 -0.25 -2.00 0.00 0.00 179.45 177.16 1lqw n ASP 6 N -3.45 0.41 -4.56 7.07 8.00 -0.54 -4.72 116.55 118.76 1lqw n ASP 6 Ca -0.01 -0.33 -0.42 0.00 0.71 0.00 0.00 54.79 54.74 1lqw n ASP 6 Cb 0.28 -0.09 -0.07 0.00 -0.02 0.00 0.00 41.12 41.23 1lqw n ASP 6 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1lqw s ILE 7 N -2.66 4.87 0.47 0.53 -1.09 -0.81 -4.31 121.20 118.20 1lqw s ILE 7 Ca 0.23 0.55 -0.22 0.00 -2.23 0.00 0.00 60.65 58.98 1lqw s ILE 7 Cb 0.19 -4.10 -0.08 0.00 -1.58 0.00 0.00 42.46 36.89 1lqw s ILE 7 CO 0.52 -0.36 1.10 0.27 -1.23 0.00 0.00 174.94 175.24 1lqw s ILE 8 N 2.75 3.43 0.41 2.92 -4.36 -0.45 -4.96 121.20 120.94 1lqw s ILE 8 Ca 0.25 0.99 0.08 0.00 -0.26 0.00 0.00 60.65 61.70 1lqw s ILE 8 Cb -0.14 -3.46 -0.01 0.00 1.25 0.00 0.00 42.46 40.10 1lqw s ILE 8 CO 0.16 -0.10 0.45 -0.13 0.24 0.00 0.00 174.94 175.56 1lqw s ARG 9 N -2.91 2.69 -0.00 0.37 1.81 -1.26 -4.46 118.95 115.18 1lqw s ARG 9 Ca 0.65 -1.38 -0.36 0.00 -1.72 0.00 0.00 55.73 52.92 1lqw s ARG 9 Cb -0.23 -2.55 -0.15 0.00 -0.45 0.00 0.00 34.95 31.58 1lqw s ARG 9 CO 0.28 -0.18 1.61 -3.47 -0.68 0.00 0.00 175.30 172.85 1lqw n ASP 10 N -1.65 2.62 0.00 0.23 2.03 0.93 -2.15 116.55 118.55 1lqw n ASP 10 Ca 0.05 1.07 0.00 0.00 0.52 0.00 0.00 54.79 56.42 1lqw n ASP 10 Cb 0.60 -1.29 0.00 0.00 -0.72 0.00 0.00 41.12 39.71 1lqw n ASP 10 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1lqw n GLY 11 N 3.53 1.55 3.71 0.27 0.00 -1.26 -5.06 105.19 107.93 1lqw n GLY 11 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 1lqw n GLY 11 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1lqw s HIS 12 N -1.62 3.26 0.44 1.61 5.65 -0.92 -4.91 115.29 118.81 1lqw s HIS 12 Ca 0.00 1.01 0.21 0.00 0.25 0.00 0.00 55.06 56.53 1lqw s HIS 12 Cb 0.00 -3.63 1.18 0.00 -1.18 0.00 0.00 32.58 28.95 1lqw s HIS 12 CO 0.00 -2.19 1.85 -1.00 -0.65 0.00 0.00 174.74 172.75 1lqw h PRO 13 N 6.86 0.30 0.00 2.88 0.13 -1.98 -1.81 132.00 138.38 1lqw h PRO 13 Ca -0.42 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 64.68 1lqw h PRO 13 Cb 1.21 -0.07 -0.00 0.00 0.13 0.00 0.00 31.00 32.27 1lqw h PRO 13 CO 0.86 0.20 -0.07 1.15 -0.23 0.00 0.00 178.00 179.90 1lqw h THR 14 N 0.31 0.47 0.00 1.56 2.02 -1.91 -1.14 112.91 114.22 1lqw h THR 14 Ca 0.48 -0.36 0.00 0.00 0.77 0.00 0.00 66.41 67.30 1lqw h THR 14 Cb 1.36 1.24 0.00 0.00 -1.74 0.00 0.00 68.15 69.01 1lqw h THR 14 CO -0.16 0.07 0.00 -0.07 0.37 0.00 0.00 175.52 175.74 1lqw h LEU 15 N 0.00 0.00 -2.16 2.58 3.38 -1.58 -3.20 115.31 114.32 1lqw h LEU 15 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1lqw h LEU 15 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1lqw h LEU 15 CO 0.01 0.00 0.00 0.54 0.09 0.00 0.00 178.44 179.08 1lqw n ARG 16 N -3.07 2.08 -3.05 1.13 5.12 -0.45 -4.30 116.66 114.12 1lqw n ARG 16 Ca 0.02 -1.94 -0.23 0.00 -1.93 0.00 0.00 57.85 53.77 1lqw n ARG 16 Cb 0.41 -1.40 0.01 0.00 -1.16 0.00 0.00 32.46 30.32 1lqw n ARG 16 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 1lqw s GLN 17 N -1.33 3.19 -0.32 5.56 -0.21 -1.10 -4.59 119.66 120.86 1lqw s GLN 17 Ca 0.29 -0.41 -0.19 0.00 0.02 0.00 0.00 55.36 55.07 1lqw s GLN 17 Cb 0.17 -2.57 -0.01 0.00 1.00 0.00 0.00 33.01 31.61 1lqw s GLN 17 CO 0.25 -0.18 0.55 0.21 -2.12 0.00 0.00 175.29 174.00 1lqw s LYS 18 N -4.52 3.79 0.60 2.91 2.20 -1.26 -2.24 119.74 121.22 1lqw s LYS 18 Ca 0.46 0.07 -0.20 0.00 -0.36 0.00 0.00 55.97 55.95 1lqw s LYS 18 Cb -0.10 -3.75 -0.03 0.00 -1.51 0.00 0.00 37.83 32.44 1lqw s LYS 18 CO 0.38 -0.57 1.30 0.00 -0.36 0.00 0.00 175.35 176.10 1lqw s ALA 19 N 2.45 2.57 0.23 3.13 0.00 0.17 -4.97 121.76 125.35 1lqw s ALA 19 Ca 0.21 1.21 -0.30 0.00 0.00 0.00 0.00 51.96 53.09 1lqw s ALA 19 Cb -0.15 -3.54 -0.09 0.00 0.00 0.00 0.00 23.12 19.35 1lqw s ALA 19 CO 0.12 -1.42 0.99 0.00 0.00 0.00 0.00 175.76 175.45 1lqw s ALA 20 N -1.40 3.34 0.60 0.00 0.00 -0.09 -4.61 121.76 119.61 1lqw s ALA 20 Ca 0.77 0.69 -0.19 0.00 0.00 0.00 0.00 51.96 53.23 1lqw s ALA 20 Cb -0.37 -3.25 -0.03 0.00 0.00 0.00 0.00 23.12 19.47 1lqw s ALA 20 CO 0.41 0.07 1.27 -2.00 0.00 0.00 0.00 175.76 175.51 1lqw s GLU 21 N -1.03 2.85 -0.15 0.00 2.56 -1.26 -0.65 118.70 121.02 1lqw s GLU 21 Ca 0.43 2.00 -0.06 0.00 0.00 0.00 0.00 54.97 57.34 1lqw s GLU 21 Cb -0.27 -1.97 -0.04 0.00 2.00 0.00 0.00 34.13 33.85 1lqw s GLU 21 CO 0.34 -1.35 0.05 -0.51 -0.56 0.00 0.00 175.26 173.23 1lqw s LEU 22 N -4.06 3.80 0.24 2.70 1.02 -1.26 -4.83 118.68 116.29 1lqw s LEU 22 Ca 0.78 0.14 -0.19 0.00 0.02 0.00 0.00 54.13 54.89 1lqw s LEU 22 Cb -0.35 -1.93 -0.08 0.00 0.02 0.00 0.00 46.19 43.85 1lqw s LEU 22 CO 0.38 0.26 0.73 -1.61 0.02 0.00 0.00 176.35 176.13 1lqw s GLU 23 N -0.17 4.21 0.08 1.70 2.02 -1.26 -4.94 118.70 120.34 1lqw s GLU 23 Ca 0.07 0.83 0.07 0.00 0.02 0.00 0.00 54.97 55.96 1lqw s GLU 23 Cb -0.12 -2.80 -0.04 0.00 0.10 0.00 0.00 34.13 31.27 1lqw s GLU 23 CO 0.01 0.35 -0.11 -0.51 0.02 0.00 0.00 175.26 175.03 1lqw s LEU 24 N -2.15 2.97 0.62 1.80 1.43 -1.26 -4.05 118.68 118.04 1lqw s LEU 24 Ca 0.45 -0.36 -0.14 0.00 -1.03 0.00 0.00 54.13 53.05 1lqw s LEU 24 Cb -0.15 -1.77 -0.02 0.00 0.03 0.00 0.00 46.19 44.27 1lqw s LEU 24 CO 0.20 0.21 1.05 -2.16 0.23 0.00 0.00 176.35 175.88 1lqw s PRO 25 N -1.96 3.25 0.65 1.29 0.04 -1.26 -5.15 135.00 131.86 1lqw s PRO 25 Ca 0.19 1.08 -0.17 0.00 0.04 0.00 0.00 61.00 62.15 1lqw s PRO 25 Cb -0.11 -2.03 -0.00 0.00 0.04 0.00 0.00 34.50 32.40 1lqw s PRO 25 CO 0.11 -0.86 1.19 -0.51 0.04 0.00 0.00 177.00 176.97 1lqw s LEU 26 N -4.84 3.50 0.60 -3.56 1.43 -1.26 -5.02 118.68 109.53 1lqw s LEU 26 Ca 0.61 2.31 -0.13 0.00 -1.03 0.00 0.00 54.13 55.88 1lqw s LEU 26 Cb -0.15 -4.59 -0.04 0.00 0.03 0.00 0.00 46.19 41.45 1lqw s LEU 26 CO 0.43 -1.82 1.03 0.42 0.23 0.00 0.00 176.35 176.64 1lqw s THR 27 N -1.86 4.39 0.53 5.49 -4.23 -1.26 -4.85 115.64 113.85 1lqw s THR 27 Ca 0.74 0.94 0.20 0.00 -1.18 0.00 0.00 61.69 62.39 1lqw s THR 27 Cb -0.28 -3.66 0.32 0.00 1.34 0.00 0.00 72.50 70.21 1lqw s THR 27 CO 0.38 -0.86 2.10 0.11 -0.54 0.00 0.00 174.62 175.82 1lqw h LYS 28 N 0.09 0.00 -0.30 3.99 1.79 -1.99 -0.68 116.57 119.46 1lqw h LYS 28 Ca -0.45 0.00 -0.15 0.00 -2.18 0.00 0.00 60.65 57.87 1lqw h LYS 28 Cb 1.20 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.84 1lqw h LYS 28 CO 0.60 0.00 -0.41 1.49 -1.08 0.00 0.00 179.45 180.05 1lqw h GLU 29 N 0.00 0.81 -0.52 3.15 4.81 -1.99 -2.08 114.58 118.76 1lqw h GLU 29 Ca 0.08 -0.47 -0.12 0.00 -0.13 0.00 0.00 59.36 58.73 1lqw h GLU 29 Cb 0.34 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.74 1lqw h GLU 29 CO -0.00 1.10 -0.13 0.93 -0.73 0.00 0.00 179.01 180.17 1lqw h GLU 30 N 0.58 0.99 -0.66 1.92 5.08 -1.54 -1.43 114.58 119.51 1lqw h GLU 30 Ca 0.03 -0.37 -0.05 0.00 -1.00 0.00 0.00 59.36 57.97 1lqw h GLU 30 Cb 1.00 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.17 1lqw h GLU 30 CO 0.10 1.05 0.21 0.87 -1.00 0.00 0.00 179.01 180.23 1lqw h LYS 31 N 0.87 1.00 0.00 2.33 1.57 -1.21 -2.38 116.57 118.76 1lqw h LYS 31 Ca 0.13 -0.20 -0.13 0.00 -1.87 0.00 0.00 60.65 58.58 1lqw h LYS 31 Cb 0.70 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.83 1lqw h LYS 31 CO 0.05 0.86 -0.61 0.93 -0.57 0.00 0.00 179.45 180.12 1lqw h GLU 32 N 0.97 0.00 0.01 3.15 5.08 -1.12 -2.09 114.58 120.58 1lqw h GLU 32 Ca 0.22 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.36 1lqw h GLU 32 Cb 0.28 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1lqw h GLU 32 CO -0.01 0.61 -0.93 1.79 -1.00 0.00 0.00 179.01 179.47 1lqw h THR 33 N 0.00 1.46 -0.63 1.13 1.35 -1.04 -0.37 112.91 114.81 1lqw h THR 33 Ca -0.01 -2.59 -0.07 0.00 -0.55 0.00 0.00 66.41 63.19 1lqw h THR 33 Cb 1.29 2.48 -0.03 0.00 -1.73 0.00 0.00 68.15 70.17 1lqw h THR 33 CO 0.08 0.76 0.13 0.25 -0.25 0.00 0.00 175.52 176.49 1lqw h LEU 34 N 0.15 0.98 -0.89 3.87 5.85 -1.41 0.10 115.31 123.97 1lqw h LEU 34 Ca -0.06 -0.25 -0.09 0.00 0.84 0.00 0.00 57.88 58.32 1lqw h LEU 34 Cb 1.57 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 42.32 1lqw h LEU 34 CO 0.15 0.97 -0.10 0.40 -0.34 0.00 0.00 178.44 179.53 1lqw h ILE 35 N 0.94 1.25 -0.16 4.05 2.04 -1.21 -2.23 117.51 122.18 1lqw h ILE 35 Ca 0.19 -1.11 -0.11 0.00 1.00 0.00 0.00 64.86 64.83 1lqw h ILE 35 Cb 0.40 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 1lqw h ILE 35 CO 0.01 0.38 -0.40 0.00 0.00 0.00 0.00 178.15 178.14 1lqw h ALA 36 N 1.24 1.03 -0.02 1.87 0.00 -0.43 -0.87 119.26 122.08 1lqw h ALA 36 Ca 0.12 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 1lqw h ALA 36 Cb 0.55 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1lqw h ALA 36 CO 0.03 0.61 0.01 0.52 0.00 0.00 0.00 179.25 180.42 1lqw h MET 37 N 0.30 0.03 -0.50 0.00 2.86 -0.53 -0.24 114.93 116.85 1lqw h MET 37 Ca 0.03 -0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.60 1lqw h MET 37 Cb 0.83 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.47 1lqw h MET 37 CO 0.07 0.13 0.06 -0.09 1.06 0.00 0.00 176.91 178.13 1lqw h ARG 38 N -0.08 0.80 -0.28 1.72 2.43 -1.26 -2.29 114.38 115.42 1lqw h ARG 38 Ca 0.01 -0.19 -0.12 0.00 -0.81 0.00 0.00 59.98 58.86 1lqw h ARG 38 Cb 0.11 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 1lqw h ARG 38 CO -0.00 0.77 -0.33 1.49 -1.51 0.00 0.00 179.97 180.39 1lqw h GLU 39 N 0.76 0.59 -0.06 0.20 4.81 -0.95 -1.05 114.58 118.88 1lqw h GLU 39 Ca 0.16 -0.27 0.01 0.00 -0.13 0.00 0.00 59.36 59.13 1lqw h GLU 39 Cb 0.38 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 1lqw h GLU 39 CO 0.01 0.85 -0.01 0.35 -0.73 0.00 0.00 179.01 179.48 1lqw h PHE 40 N 0.50 -0.03 -0.61 0.92 3.57 -0.65 0.95 116.94 121.60 1lqw h PHE 40 Ca 0.06 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.62 1lqw h PHE 40 Cb 0.82 0.02 -0.06 0.00 2.79 0.00 0.00 35.95 39.52 1lqw h PHE 40 CO 0.03 -0.02 0.31 -0.07 -2.23 0.00 0.00 178.31 176.33 1lqw h LEU 41 N 0.01 0.42 -0.56 0.59 3.38 -1.07 0.34 115.31 118.42 1lqw h LEU 41 Ca 0.03 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1lqw h LEU 41 Cb 0.04 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 1lqw h LEU 41 CO -0.06 0.28 0.32 0.58 0.09 0.00 0.00 178.44 179.64 1lqw h VAL 42 N 0.57 1.18 -0.30 1.22 2.07 -0.87 -2.08 116.25 118.04 1lqw h VAL 42 Ca 0.28 -0.44 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 1lqw h VAL 42 Cb 0.22 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 1lqw h VAL 42 CO -0.20 0.19 0.14 0.78 0.02 0.00 0.00 177.57 178.50 1lqw h ASN 43 N 0.76 0.40 0.02 0.57 2.35 0.20 -2.70 115.58 117.18 1lqw h ASN 43 Ca 0.20 -0.13 -0.00 0.00 -0.55 0.00 0.00 56.30 55.82 1lqw h ASN 43 Cb 0.03 -0.10 -0.00 0.00 0.05 0.00 0.00 38.32 38.29 1lqw h ASN 43 CO -0.03 0.42 -0.01 0.77 -1.65 0.00 0.00 177.43 176.92 1lqw h SER 44 N 0.35 0.00 -0.06 5.81 4.64 -0.14 -1.29 113.55 122.86 1lqw h SER 44 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1lqw h SER 44 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 1lqw h SER 44 CO -0.01 0.01 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 1lqw n GLN 45 N -4.29 1.41 -3.62 4.77 6.02 -0.80 -4.07 117.38 116.81 1lqw n GLN 45 Ca -0.03 -0.61 -0.40 0.00 -0.01 0.00 0.00 57.00 55.95 1lqw n GLN 45 Cb 0.10 -1.41 -0.11 0.00 1.02 0.00 0.00 30.24 29.84 1lqw n GLN 45 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1lqw s ASP 46 N -1.76 5.66 0.26 1.08 3.68 -0.49 -4.99 116.67 120.12 1lqw s ASP 46 Ca 0.36 -1.07 -0.03 0.00 2.13 0.00 0.00 52.55 53.94 1lqw s ASP 46 Cb 0.18 -2.00 0.53 0.00 -1.45 0.00 0.00 42.92 40.18 1lqw s ASP 46 CO 0.29 -0.39 1.69 -0.08 0.13 0.00 0.00 175.17 176.81 1lqw h GLU 47 N 8.40 0.31 0.16 4.34 4.81 -1.83 0.44 114.58 131.20 1lqw h GLU 47 Ca -0.25 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 58.96 1lqw h GLU 47 Cb 1.10 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.41 1lqw h GLU 47 CO 0.67 0.20 -0.08 0.93 -0.73 0.00 0.00 179.01 180.00 1lqw h GLU 48 N 0.32 -0.21 -0.11 1.92 4.39 -1.94 -0.55 114.58 118.41 1lqw h GLU 48 Ca 0.45 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 60.16 1lqw h GLU 48 Cb 0.79 0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.48 1lqw h GLU 48 CO -0.51 0.08 0.04 0.82 -1.16 0.00 0.00 179.01 178.28 1lqw h ILE 49 N -0.50 1.17 -0.54 3.13 2.04 -1.74 -1.63 117.51 119.44 1lqw h ILE 49 Ca -0.02 -0.50 0.07 0.00 1.00 0.00 0.00 64.86 65.41 1lqw h ILE 49 Cb 0.39 1.30 -0.06 0.00 -0.74 0.00 0.00 36.82 37.71 1lqw h ILE 49 CO 0.04 0.15 0.21 0.00 0.00 0.00 0.00 178.15 178.55 1lqw h ALA 50 N 0.86 0.68 -0.10 1.87 0.00 -0.18 -1.21 119.26 121.19 1lqw h ALA 50 Ca 0.04 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1lqw h ALA 50 Cb 0.20 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1lqw h ALA 50 CO -0.00 -0.18 0.04 -0.22 0.00 0.00 0.00 179.25 178.89 1lqw h LYS 51 N 0.41 0.15 0.05 0.00 3.64 -0.94 0.27 116.57 120.14 1lqw h LYS 51 Ca 0.26 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.64 1lqw h LYS 51 Cb 0.27 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.03 1lqw h LYS 51 CO -0.25 0.27 -0.23 -0.09 -2.27 0.00 0.00 179.45 176.88 1lqw h ARG 52 N -0.01 -0.37 -0.05 1.90 2.43 -1.02 -2.74 114.38 114.53 1lqw h ARG 52 Ca 0.03 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1lqw h ARG 52 Cb 0.18 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 1lqw h ARG 52 CO -0.00 -0.25 0.00 0.66 -1.51 0.00 0.00 179.97 178.87 1lqw n TYR 53 N -5.35 0.06 -3.24 2.20 4.01 -0.48 -4.94 117.16 109.42 1lqw n TYR 53 Ca -0.06 -0.03 -0.20 0.00 -0.16 0.00 0.00 57.90 57.45 1lqw n TYR 53 Cb 0.26 0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.35 1lqw n TYR 53 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1lqw n GLY 54 N 1.08 -0.36 3.84 2.72 0.00 0.64 -4.76 105.19 108.36 1lqw n GLY 54 Ca 0.18 0.08 -0.32 0.00 0.00 0.00 0.00 46.02 45.96 1lqw n GLY 54 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1lqw s LEU 55 N -6.24 3.96 -0.33 0.99 1.43 0.48 -4.82 118.68 114.15 1lqw s LEU 55 Ca 0.41 1.47 -0.12 0.00 -1.03 0.00 0.00 54.13 54.85 1lqw s LEU 55 Cb -0.18 -4.31 -0.02 0.00 0.03 0.00 0.00 46.19 41.71 1lqw s LEU 55 CO 0.51 -0.32 0.23 -0.13 0.23 0.00 0.00 176.35 176.87 1lqw s ARG 56 N -3.23 3.55 0.15 1.70 0.52 -1.26 -4.74 118.95 115.65 1lqw s ARG 56 Ca 0.58 -0.60 -0.33 0.00 -0.52 0.00 0.00 55.73 54.86 1lqw s ARG 56 Cb -0.10 -3.77 -0.12 0.00 0.52 0.00 0.00 34.95 31.47 1lqw s ARG 56 CO 0.18 -0.41 1.70 0.45 0.02 0.00 0.00 175.30 177.24 1lqw n SER 57 N 5.09 3.62 -3.82 0.23 2.88 -1.26 -4.88 113.62 115.49 1lqw n SER 57 Ca -0.13 1.05 -0.09 0.00 -1.33 0.00 0.00 58.87 58.37 1lqw n SER 57 Cb 0.50 -1.50 -0.07 0.00 -0.75 0.00 0.00 64.21 62.39 1lqw n SER 57 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1lqw s GLY 58 N 1.57 0.03 0.00 0.46 0.00 -1.26 -5.03 107.32 103.08 1lqw s GLY 58 Ca 0.79 -0.51 0.04 0.00 0.00 0.00 0.00 44.72 45.04 1lqw s GLY 58 CO 0.37 -0.71 1.02 3.33 0.00 0.00 0.00 173.10 177.11 1lqw n VAL 59 N -0.08 0.82 -3.55 1.40 0.24 -1.26 -4.76 118.33 111.14 1lqw n VAL 59 Ca -0.15 -0.91 -0.17 0.00 -2.04 0.00 0.00 64.34 61.07 1lqw n VAL 59 Cb 0.63 0.61 -0.06 0.00 -1.47 0.00 0.00 33.84 33.54 1lqw n VAL 59 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1lqw s GLY 60 N -0.89 -0.51 -0.22 7.63 0.00 -1.26 -1.34 107.32 110.73 1lqw s GLY 60 Ca 0.09 1.09 -0.16 0.00 0.00 0.00 0.00 44.72 45.74 1lqw s GLY 60 CO 0.06 0.76 0.56 -2.27 0.00 0.00 0.00 173.10 172.21 1lqw s LEU 61 N -1.35 -0.33 0.03 0.66 2.96 -0.57 -5.00 118.68 115.08 1lqw s LEU 61 Ca -0.10 1.17 0.05 0.00 -0.22 0.00 0.00 54.13 55.02 1lqw s LEU 61 Cb -0.01 1.90 -0.03 0.00 0.50 0.00 0.00 46.19 48.54 1lqw s LEU 61 CO 0.07 -0.21 -0.11 0.00 -1.32 0.00 0.00 176.35 174.79 1lqw s ALA 62 N 0.90 2.88 0.25 5.97 0.00 -1.26 -0.65 121.76 129.85 1lqw s ALA 62 Ca -0.05 -1.11 -0.04 0.00 0.00 0.00 0.00 51.96 50.77 1lqw s ALA 62 Cb -0.05 -0.97 0.51 0.00 0.00 0.00 0.00 23.12 22.60 1lqw s ALA 62 CO -0.08 0.61 1.68 0.00 0.00 0.00 0.00 175.76 177.97 1lqw h ALA 63 N 4.38 1.03 -0.98 0.00 0.00 -1.22 -0.28 119.26 122.19 1lqw h ALA 63 Ca -0.48 0.17 0.28 0.00 0.00 0.00 0.00 54.91 54.87 1lqw h ALA 63 Cb 1.16 0.23 -0.05 0.00 0.00 0.00 0.00 17.79 19.13 1lqw h ALA 63 CO 0.52 -0.34 0.69 -1.35 0.00 0.00 0.00 179.25 178.77 1lqw h PRO 64 N 0.28 0.08 0.00 0.00 0.11 -1.44 0.46 132.00 131.50 1lqw h PRO 64 Ca 0.44 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.55 1lqw h PRO 64 Cb 0.77 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.86 1lqw h PRO 64 CO -0.52 0.05 0.00 1.96 -0.21 0.00 0.00 178.00 179.28 1lqw h GLN 65 N 0.08 0.00 -0.16 1.05 4.20 -1.32 -1.70 115.11 117.26 1lqw h GLN 65 Ca 0.48 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 59.11 1lqw h GLN 65 Cb 1.77 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 29.50 1lqw h GLN 65 CO -0.05 0.00 -0.31 0.44 -0.67 0.00 0.00 178.83 178.23 1lqw n ILE 66 N -2.49 2.36 -2.77 2.54 -5.35 0.10 -1.34 119.36 112.41 1lqw n ILE 66 Ca 0.01 -3.03 -0.15 0.00 -0.27 0.00 0.00 62.75 59.31 1lqw n ILE 66 Cb 0.19 -0.28 0.02 0.00 -1.74 0.00 0.00 39.64 37.83 1lqw n ILE 66 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 1lqw n ASN 67 N -1.12 -4.59 -3.89 7.28 4.05 -0.64 -4.93 115.26 111.42 1lqw n ASN 67 Ca 0.25 -0.19 -0.30 0.00 0.45 0.00 0.00 54.58 54.79 1lqw n ASN 67 Cb 0.85 -3.45 -0.15 0.00 1.23 0.00 0.00 39.78 38.25 1lqw n ASN 67 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 1lqw s ILE 68 N -2.97 1.45 -1.40 -1.44 1.01 -0.86 -4.98 121.20 112.02 1lqw s ILE 68 Ca 0.21 -1.44 -0.10 0.00 0.00 0.00 0.00 60.65 59.31 1lqw s ILE 68 Cb -0.09 -1.89 -0.07 0.00 0.01 0.00 0.00 42.46 40.42 1lqw s ILE 68 CO 0.25 -0.35 2.62 -0.24 0.00 0.00 0.00 174.94 177.22 1lqw n SER 69 N 4.66 6.91 -4.09 3.58 2.88 -1.26 -1.39 113.62 124.90 1lqw n SER 69 Ca -0.06 -2.56 -0.20 0.00 -1.33 0.00 0.00 58.87 54.72 1lqw n SER 69 Cb 0.43 -1.45 -0.14 0.00 -0.75 0.00 0.00 64.21 62.30 1lqw n SER 69 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1lqw s LYS 70 N 2.74 0.92 -1.12 -1.46 1.02 -1.26 -0.91 119.74 119.67 1lqw s LYS 70 Ca 0.59 -0.51 -0.17 0.00 0.02 0.00 0.00 55.97 55.90 1lqw s LYS 70 Cb 0.15 -0.89 -0.06 0.00 -0.52 0.00 0.00 37.83 36.51 1lqw s LYS 70 CO -0.05 0.24 2.12 0.54 -0.92 0.00 0.00 175.35 177.28 1lqw n ARG 71 N 2.52 2.23 -4.50 1.68 1.74 0.17 -4.43 116.66 116.08 1lqw n ARG 71 Ca -0.15 -2.16 -0.20 0.00 -0.77 0.00 0.00 57.85 54.57 1lqw n ARG 71 Cb 0.56 -3.04 -0.15 0.00 -1.02 0.00 0.00 32.46 28.81 1lqw n ARG 71 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 1lqw s MET 72 N 3.97 0.93 0.04 5.56 -1.94 -1.26 -0.11 119.30 126.49 1lqw s MET 72 Ca 0.52 -0.42 -0.05 0.00 -1.71 0.00 0.00 55.69 54.03 1lqw s MET 72 Cb 0.14 -0.90 -0.02 0.00 2.01 0.00 0.00 34.83 36.07 1lqw s MET 72 CO 0.01 0.25 0.07 0.96 -0.01 0.00 0.00 175.02 176.30 1lqw s ILE 73 N -0.30 0.15 0.00 2.53 -4.36 -0.61 -0.86 121.20 117.75 1lqw s ILE 73 Ca 0.04 -1.21 0.07 0.00 -0.26 0.00 0.00 60.65 59.29 1lqw s ILE 73 Cb -0.05 -0.99 -0.02 0.00 1.25 0.00 0.00 42.46 42.65 1lqw s ILE 73 CO -0.00 -0.67 -0.20 0.00 0.24 0.00 0.00 174.94 174.31 1lqw s ALA 74 N -2.86 1.71 -0.03 2.27 0.00 0.17 -0.69 121.76 122.34 1lqw s ALA 74 Ca -0.03 -0.93 0.00 0.00 0.00 0.00 0.00 51.96 51.00 1lqw s ALA 74 Cb 0.00 -0.40 0.03 0.00 0.00 0.00 0.00 23.12 22.75 1lqw s ALA 74 CO -0.06 0.41 -0.00 0.08 0.00 0.00 0.00 175.76 176.19 1lqw s VAL 75 N -0.58 0.20 -0.45 0.00 1.01 0.10 -1.51 120.40 119.18 1lqw s VAL 75 Ca 0.08 0.07 0.02 0.00 0.00 0.00 0.00 61.98 62.15 1lqw s VAL 75 Cb -0.08 -0.29 0.15 0.00 0.00 0.00 0.00 36.38 36.16 1lqw s VAL 75 CO 0.00 0.15 0.28 -0.22 0.00 0.00 0.00 175.10 175.31 1lqw s LEU 76 N 1.01 2.31 -0.21 3.92 2.96 -0.45 -0.93 118.68 127.28 1lqw s LEU 76 Ca -0.10 -2.77 -0.04 0.00 -0.22 0.00 0.00 54.13 51.00 1lqw s LEU 76 Cb -0.14 -0.84 -0.01 0.00 0.50 0.00 0.00 46.19 45.70 1lqw s LEU 76 CO -0.02 -0.23 -0.04 -0.63 -1.32 0.00 0.00 176.35 174.11 1lqw s ILE 77 N 0.23 3.45 1.04 6.68 1.01 0.25 -4.54 121.20 129.32 1lqw s ILE 77 Ca 0.22 -0.47 -0.17 0.00 0.00 0.00 0.00 60.65 60.22 1lqw s ILE 77 Cb -0.16 -2.56 0.25 0.00 0.01 0.00 0.00 42.46 40.00 1lqw s ILE 77 CO -0.06 0.43 1.04 -0.81 0.00 0.00 0.00 174.94 175.54 1lqw n PRO 78 N 4.67 -2.42 -0.89 2.79 -0.04 -1.26 0.11 135.00 137.96 1lqw n PRO 78 Ca -0.18 -1.65 -0.29 0.00 -0.04 0.00 0.00 63.50 61.34 1lqw n PRO 78 Cb 0.51 -1.40 0.23 0.00 -0.04 0.00 0.00 33.50 32.80 1lqw n PRO 78 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1lqw s ASP 79 N -4.51 1.27 -0.43 3.54 -1.08 -1.26 -4.59 116.67 109.63 1lqw s ASP 79 Ca 0.65 1.08 0.08 0.00 -0.52 0.00 0.00 52.55 53.83 1lqw s ASP 79 Cb -0.05 -1.65 0.27 0.00 -1.46 0.00 0.00 42.92 40.03 1lqw s ASP 79 CO 0.48 -3.96 0.72 -0.67 0.52 0.00 0.00 175.17 172.27 1lqw n ASP 80 N -4.71 -0.97 -1.76 -0.34 -0.08 -1.26 -4.93 116.55 102.50 1lqw n ASP 80 Ca 0.07 -3.02 -0.18 0.00 -1.51 0.00 0.00 54.79 50.14 1lqw n ASP 80 Cb 0.57 0.40 -0.04 0.00 2.34 0.00 0.00 41.12 44.39 1lqw n ASP 80 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1lqw n GLY 81 N 1.25 0.63 0.00 0.27 0.00 -1.26 -4.90 105.19 101.18 1lqw n GLY 81 Ca 0.16 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1lqw n GLY 81 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1lqw n SER 82 N -1.24 0.00 0.00 1.61 2.88 -1.26 -5.07 113.62 110.54 1lqw n SER 82 Ca -0.20 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.34 1lqw n SER 82 Cb 0.63 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.09 1lqw n SER 82 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1lqw n GLY 83 N 2.28 0.78 3.21 0.46 0.00 -1.26 -5.10 105.19 105.56 1lqw n GLY 83 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1lqw n GLY 83 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1lqw s LYS 84 N 0.00 3.12 0.24 1.61 1.02 -1.26 -5.09 119.74 119.39 1lqw s LYS 84 Ca 0.00 -0.77 0.11 0.00 0.02 0.00 0.00 55.97 55.33 1lqw s LYS 84 Cb 0.00 -2.81 -0.05 0.00 -0.52 0.00 0.00 37.83 34.45 1lqw s LYS 84 CO 0.00 -0.23 -0.18 -1.54 -0.92 0.00 0.00 175.35 172.48 1lqw s SER 85 N 1.37 3.74 -0.09 2.83 1.04 -1.26 -4.24 113.70 117.09 1lqw s SER 85 Ca 0.05 -0.89 0.00 0.00 0.48 0.00 0.00 55.95 55.59 1lqw s SER 85 Cb -0.14 -0.40 0.02 0.00 0.10 0.00 0.00 66.02 65.60 1lqw s SER 85 CO -0.08 0.06 -0.06 -0.31 0.98 0.00 0.00 173.24 173.83 1lqw s TYR 86 N -2.17 1.20 -0.35 5.02 1.51 0.12 -4.98 117.35 117.70 1lqw s TYR 86 Ca 0.27 -0.51 -0.00 0.00 -1.01 0.00 0.00 57.07 55.82 1lqw s TYR 86 Cb -0.06 -1.04 0.12 0.00 -0.11 0.00 0.00 41.96 40.88 1lqw s TYR 86 CO 0.14 -0.39 0.18 0.34 -1.11 0.00 0.00 175.55 174.71 1lqw s ASP 87 N 1.48 3.41 -0.01 2.29 -1.08 -1.25 0.87 116.67 122.39 1lqw s ASP 87 Ca -0.01 -2.03 0.02 0.00 -0.52 0.00 0.00 52.55 50.01 1lqw s ASP 87 Cb -0.13 -0.62 -0.00 0.00 -1.46 0.00 0.00 42.92 40.71 1lqw s ASP 87 CO -0.04 -0.34 -0.06 -0.31 0.52 0.00 0.00 175.17 174.93 1lqw s TYR 88 N 1.19 0.57 -0.35 -5.34 1.51 -0.10 -5.00 117.35 109.82 1lqw s TYR 88 Ca 0.15 -0.11 -0.02 0.00 -1.01 0.00 0.00 57.07 56.08 1lqw s TYR 88 Cb -0.21 -0.38 0.08 0.00 -0.11 0.00 0.00 41.96 41.34 1lqw s TYR 88 CO -0.11 -0.03 0.10 -1.64 -1.11 0.00 0.00 175.55 172.77 1lqw s MET 89 N -0.04 2.18 0.06 -0.62 -1.94 -1.26 -0.72 119.30 116.95 1lqw s MET 89 Ca 0.01 -1.55 0.05 0.00 -1.71 0.00 0.00 55.69 52.49 1lqw s MET 89 Cb -0.04 -3.37 -0.04 0.00 2.01 0.00 0.00 34.83 33.40 1lqw s MET 89 CO -0.00 -0.84 -0.07 -0.51 -0.01 0.00 0.00 175.02 173.58 1lqw s LEU 90 N 1.18 3.15 -0.06 -0.03 1.43 0.14 -3.46 118.68 121.03 1lqw s LEU 90 Ca 0.02 -0.26 0.06 0.00 -1.03 0.00 0.00 54.13 52.92 1lqw s LEU 90 Cb -0.21 -1.88 -0.02 0.00 0.03 0.00 0.00 46.19 44.11 1lqw s LEU 90 CO -0.03 0.22 -0.23 -0.69 0.23 0.00 0.00 176.35 175.86 1lqw s VAL 91 N -1.14 2.29 -1.46 -1.59 1.01 0.69 -1.58 120.40 118.62 1lqw s VAL 91 Ca 0.20 -0.99 -0.07 0.00 0.00 0.00 0.00 61.98 61.13 1lqw s VAL 91 Cb -0.11 -1.85 0.05 0.00 0.00 0.00 0.00 36.38 34.47 1lqw s VAL 91 CO 0.12 0.57 0.70 0.59 0.00 0.00 0.00 175.10 177.08 1lqw n ASN 92 N 2.80 -2.20 -4.76 3.32 3.02 0.84 -1.28 115.26 117.00 1lqw n ASN 92 Ca -0.17 -0.90 -0.41 0.00 -0.03 0.00 0.00 54.58 53.07 1lqw n ASN 92 Cb 0.52 -3.49 -0.04 0.00 -0.61 0.00 0.00 39.78 36.16 1lqw n ASN 92 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1lqw s PRO 93 N -6.48 4.54 -0.01 3.52 0.04 -1.26 -4.52 135.00 130.83 1lqw s PRO 93 Ca 0.30 1.92 -0.02 0.00 0.04 0.00 0.00 61.00 63.24 1lqw s PRO 93 Cb -0.15 -3.17 0.00 0.00 0.04 0.00 0.00 34.50 31.22 1lqw s PRO 93 CO 0.86 0.06 0.04 -1.59 0.04 0.00 0.00 177.00 176.41 1lqw s LYS 94 N -1.30 0.11 -0.38 4.56 -2.85 0.35 -4.99 119.74 115.25 1lqw s LYS 94 Ca 0.47 -0.05 -0.24 0.00 -1.00 0.00 0.00 55.97 55.15 1lqw s LYS 94 Cb -0.34 0.05 0.01 0.00 -2.06 0.00 0.00 37.83 35.49 1lqw s LYS 94 CO 0.43 -0.02 0.81 0.42 0.10 0.00 0.00 175.35 177.09 1lqw s ILE 95 N -0.25 4.69 -0.88 3.79 1.01 -1.26 -1.53 121.20 126.77 1lqw s ILE 95 Ca -0.03 0.87 0.23 0.00 0.00 0.00 0.00 60.65 61.72 1lqw s ILE 95 Cb -0.02 -4.25 -0.08 0.00 0.01 0.00 0.00 42.46 38.11 1lqw s ILE 95 CO -0.00 -0.50 1.18 1.33 0.00 0.00 0.00 174.94 176.95 1lqw n VAL 96 N 5.89 0.06 -3.51 2.92 0.24 0.15 -4.96 118.33 119.12 1lqw n VAL 96 Ca 0.04 -0.07 -0.11 0.00 -2.04 0.00 0.00 64.34 62.15 1lqw n VAL 96 Cb 0.48 0.41 -0.03 0.00 -1.47 0.00 0.00 33.84 33.23 1lqw n VAL 96 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1lqw s SER 97 N -3.29 -0.45 0.05 -1.34 1.04 -1.22 -4.97 113.70 103.53 1lqw s SER 97 Ca 0.08 0.22 -0.19 0.00 0.48 0.00 0.00 55.95 56.54 1lqw s SER 97 Cb 0.16 0.42 0.04 0.00 0.10 0.00 0.00 66.02 66.75 1lqw s SER 97 CO 0.77 -0.61 0.43 -1.38 0.98 0.00 0.00 173.24 173.44 1lqw s HIS 98 N -2.40 -0.29 0.34 5.02 -0.00 -1.26 -1.18 115.29 115.51 1lqw s HIS 98 Ca -0.00 0.26 -0.26 0.00 -0.00 0.00 0.00 55.06 55.07 1lqw s HIS 98 Cb -0.01 0.24 -0.10 0.00 -0.00 0.00 0.00 32.58 32.72 1lqw s HIS 98 CO -0.04 -0.59 0.95 -1.54 -0.00 0.00 0.00 174.74 173.52 1lqw s SER 99 N -2.03 7.29 0.25 7.38 1.04 0.83 -4.96 113.70 123.50 1lqw s SER 99 Ca -0.05 1.83 -0.03 0.00 0.48 0.00 0.00 55.95 58.18 1lqw s SER 99 Cb -0.01 -2.58 0.29 0.00 0.10 0.00 0.00 66.02 63.83 1lqw s SER 99 CO -0.03 -0.11 1.74 0.58 0.98 0.00 0.00 173.24 176.41 1lqw h VAL 100 N 2.53 1.25 -3.91 5.02 2.07 -2.00 -3.43 116.25 117.78 1lqw h VAL 100 Ca -0.47 -1.02 -0.52 0.00 0.82 0.00 0.00 66.70 65.51 1lqw h VAL 100 Cb 1.19 0.84 0.07 0.00 -1.52 0.00 0.00 31.29 31.87 1lqw h VAL 100 CO 0.65 0.36 0.63 -1.58 0.02 0.00 0.00 177.57 177.65 1lqw s GLN 101 N -5.02 4.19 0.25 1.57 0.74 -1.26 -4.95 119.66 115.18 1lqw s GLN 101 Ca -0.10 2.19 0.08 0.00 0.05 0.00 0.00 55.36 57.59 1lqw s GLN 101 Cb 0.15 -2.93 -0.04 0.00 1.10 0.00 0.00 33.01 31.28 1lqw s GLN 101 CO 0.82 -0.32 0.10 -1.21 -0.55 0.00 0.00 175.29 174.13 1lqw s GLU 102 N -2.00 2.63 0.07 1.67 2.02 -1.26 -1.14 118.70 120.70 1lqw s GLU 102 Ca 0.52 -1.21 -0.07 0.00 0.02 0.00 0.00 54.97 54.23 1lqw s GLU 102 Cb -0.39 -2.38 -0.01 0.00 0.10 0.00 0.00 34.13 31.45 1lqw s GLU 102 CO 0.51 0.39 0.13 0.00 0.02 0.00 0.00 175.26 176.32 1lqw s ALA 103 N -2.20 -0.05 -0.01 5.21 0.00 -0.67 -0.43 121.76 123.61 1lqw s ALA 103 Ca 0.32 -0.74 -0.29 0.00 0.00 0.00 0.00 51.96 51.26 1lqw s ALA 103 Cb -0.07 0.42 0.07 0.00 0.00 0.00 0.00 23.12 23.53 1lqw s ALA 103 CO 0.22 -0.46 0.65 1.52 0.00 0.00 0.00 175.76 177.69 1lqw s TYR 104 N -3.75 -0.61 -0.15 0.00 -0.85 -0.34 -0.96 117.35 110.69 1lqw s TYR 104 Ca 0.04 0.94 -0.26 0.00 -0.52 0.00 0.00 57.07 57.27 1lqw s TYR 104 Cb 0.05 0.42 -0.01 0.00 0.38 0.00 0.00 41.96 42.80 1lqw s TYR 104 CO -0.10 -0.64 0.88 -0.51 -1.52 0.00 0.00 175.55 173.66 1lqw s LEU 105 N -1.48 4.20 0.64 -3.49 1.43 -1.26 -1.28 118.68 117.44 1lqw s LEU 105 Ca -0.09 1.28 0.38 0.00 -1.03 0.00 0.00 54.13 54.67 1lqw s LEU 105 Cb -0.00 -3.33 2.11 0.00 0.03 0.00 0.00 46.19 45.00 1lqw s LEU 105 CO 0.06 -0.40 2.26 1.55 0.23 0.00 0.00 176.35 180.04 1lqw h PRO 106 N 7.23 0.00 -0.01 1.29 0.13 -1.96 -0.15 132.00 138.53 1lqw h PRO 106 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 1lqw h PRO 106 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1lqw h PRO 106 CO 0.84 0.00 -0.31 0.25 -0.23 0.00 0.00 178.00 178.55 1lqw n THR 107 N -3.31 0.00 -2.00 1.56 -2.24 -1.26 -4.99 114.28 102.04 1lqw n THR 107 Ca -0.02 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 1lqw n THR 107 Cb 0.15 0.77 0.00 0.00 -2.10 0.00 0.00 70.33 69.15 1lqw n THR 107 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1lqw n GLY 108 N 1.36 -1.73 3.41 3.38 0.00 -0.07 -4.85 105.19 106.68 1lqw n GLY 108 Ca 0.12 -1.67 -0.20 0.00 0.00 0.00 0.00 46.02 44.26 1lqw n GLY 108 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1lqw s GLU 109 N 0.00 1.51 0.43 1.61 2.02 -1.26 -4.68 118.70 118.32 1lqw s GLU 109 Ca 0.00 -1.76 0.03 0.00 0.02 0.00 0.00 54.97 53.26 1lqw s GLU 109 Cb 0.00 -1.03 -0.02 0.00 0.10 0.00 0.00 34.13 33.17 1lqw s GLU 109 CO 0.00 0.00 0.11 0.20 0.02 0.00 0.00 175.26 175.60 1lqw s GLY 110 N -3.41 2.68 -0.28 -1.39 0.00 -1.26 -4.77 107.32 98.89 1lqw s GLY 110 Ca 0.29 -1.11 -0.18 0.00 0.00 0.00 0.00 44.72 43.72 1lqw s GLY 110 CO 0.11 -1.89 0.69 0.00 0.00 0.00 0.00 173.10 172.02 1lqw h LEU 112 N 6.62 0.00 0.00 0.00 3.38 -1.96 -1.11 115.31 122.23 1lqw h LEU 112 Ca -0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1lqw h LEU 112 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 1lqw h LEU 112 CO 0.14 0.06 -0.17 0.28 0.09 0.00 0.00 178.44 178.84 1lqw h SER 113 N 0.00 0.00 -3.32 -0.43 0.02 -1.93 -3.42 113.55 104.47 1lqw h SER 113 Ca -0.00 -0.02 -0.73 0.00 -0.84 0.00 0.00 61.79 60.19 1lqw h SER 113 Cb 0.14 0.00 -0.25 0.00 0.14 0.00 0.00 62.40 62.43 1lqw h SER 113 CO 0.01 0.01 -0.36 -0.69 -1.14 0.00 0.00 176.83 174.66 1lqw s VAL 114 N -3.18 4.81 0.31 2.27 1.01 -0.42 -0.05 120.40 125.15 1lqw s VAL 114 Ca 0.07 -1.31 0.04 0.00 0.00 0.00 0.00 61.98 60.79 1lqw s VAL 114 Cb 0.09 -3.95 0.30 0.00 0.00 0.00 0.00 36.38 32.81 1lqw s VAL 114 CO 0.66 -0.62 1.86 0.44 0.00 0.00 0.00 175.10 177.44 1lqw h ASP 115 N 8.63 0.82 -3.85 3.32 3.32 -1.81 -3.42 116.42 123.44 1lqw h ASP 115 Ca -0.26 0.04 -0.68 0.00 0.02 0.00 0.00 57.03 56.15 1lqw h ASP 115 Cb 1.10 -0.12 -0.20 0.00 0.22 0.00 0.00 39.33 40.32 1lqw h ASP 115 CO 0.86 0.44 -0.82 -1.81 -1.72 0.00 0.00 179.24 176.20 1lqw s ASP 116 N -5.77 3.74 0.03 6.45 -0.00 -1.26 -5.09 116.67 114.78 1lqw s ASP 116 Ca -0.11 -0.55 -0.36 0.00 -0.00 0.00 0.00 52.55 51.53 1lqw s ASP 116 Cb 0.22 -0.50 -0.15 0.00 -0.00 0.00 0.00 42.92 42.49 1lqw s ASP 116 CO 0.80 0.20 1.54 -0.46 -0.00 0.00 0.00 175.17 177.25 1lqw n ASN 117 N 1.07 2.43 -4.22 0.27 6.94 -1.26 -4.99 115.26 115.50 1lqw n ASN 117 Ca -0.16 1.08 -0.35 0.00 -0.02 0.00 0.00 54.58 55.13 1lqw n ASN 117 Cb 0.53 -1.28 -0.14 0.00 -2.36 0.00 0.00 39.78 36.53 1lqw n ASN 117 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1lqw s VAL 118 N 1.51 3.01 0.16 3.53 1.01 -1.26 -5.10 120.40 123.26 1lqw s VAL 118 Ca 0.86 -1.00 -0.30 0.00 0.00 0.00 0.00 61.98 61.54 1lqw s VAL 118 Cb -0.85 -2.54 -0.07 0.00 0.00 0.00 0.00 36.38 32.91 1lqw s VAL 118 CO 0.47 0.17 1.04 0.00 0.00 0.00 0.00 175.10 176.78 1lqw s ALA 119 N 1.34 3.32 0.00 5.51 0.00 -1.26 -4.79 121.76 125.89 1lqw s ALA 119 Ca 0.00 0.71 0.00 0.00 0.00 0.00 0.00 51.96 52.67 1lqw s ALA 119 Cb -0.17 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.64 1lqw s ALA 119 CO -0.03 -0.11 0.00 0.41 0.00 0.00 0.00 175.76 176.02 1lqw n GLY 120 N 2.10 4.55 3.77 0.00 0.00 -1.26 -4.91 105.19 109.43 1lqw n GLY 120 Ca 0.02 -0.76 -0.40 0.00 0.00 0.00 0.00 46.02 44.89 1lqw n GLY 120 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1lqw s LEU 121 N 0.00 4.57 -0.39 0.99 1.43 -0.07 -4.38 118.68 120.83 1lqw s LEU 121 Ca 0.00 1.64 -0.05 0.00 -1.03 0.00 0.00 54.13 54.70 1lqw s LEU 121 Cb 0.00 -3.32 0.09 0.00 0.03 0.00 0.00 46.19 42.98 1lqw s LEU 121 CO 0.00 0.16 0.18 -0.69 0.23 0.00 0.00 176.35 176.22 1lqw s VAL 122 N -0.89 3.50 -0.14 -1.59 1.01 -1.26 -4.41 120.40 116.62 1lqw s VAL 122 Ca 0.37 -1.71 -0.29 0.00 0.00 0.00 0.00 61.98 60.34 1lqw s VAL 122 Cb -0.23 -3.24 -0.01 0.00 0.00 0.00 0.00 36.38 32.90 1lqw s VAL 122 CO 0.26 -0.51 1.12 -1.00 0.00 0.00 0.00 175.10 174.97 1lqw s HIS 123 N 1.25 3.25 0.53 5.22 3.76 -1.26 -4.50 115.29 123.53 1lqw s HIS 123 Ca 0.04 1.34 0.02 0.00 -0.15 0.00 0.00 55.06 56.31 1lqw s HIS 123 Cb -0.22 -3.33 0.01 0.00 1.11 0.00 0.00 32.58 30.14 1lqw s HIS 123 CO -0.02 -0.88 0.10 1.03 -0.85 0.00 0.00 174.74 174.13 1lqw s ARG 124 N 2.70 2.22 -0.11 1.40 1.81 -0.13 -4.96 118.95 121.88 1lqw s ARG 124 Ca 0.50 -2.34 -0.21 0.00 -1.72 0.00 0.00 55.73 51.96 1lqw s ARG 124 Cb -0.20 -1.65 -0.04 0.00 -0.45 0.00 0.00 34.95 32.61 1lqw s ARG 124 CO 0.15 -0.45 0.61 -1.01 -0.68 0.00 0.00 175.30 173.92 1lqw s HIS 125 N -2.87 3.52 0.44 -0.53 3.76 -1.26 -1.67 115.29 116.67 1lqw s HIS 125 Ca 0.10 1.06 0.13 0.00 -0.15 0.00 0.00 55.06 56.20 1lqw s HIS 125 Cb 0.00 -2.71 0.97 0.00 1.11 0.00 0.00 32.58 31.95 1lqw s HIS 125 CO 0.06 0.07 2.00 -0.97 -0.85 0.00 0.00 174.74 175.05 1lqw h ASN 126 N 6.88 0.11 -4.28 1.40 -1.24 -1.37 -3.43 115.58 113.64 1lqw h ASN 126 Ca -0.39 -0.02 -0.47 0.00 0.71 0.00 0.00 56.30 56.14 1lqw h ASN 126 Cb 1.18 -0.03 -0.26 0.00 0.73 0.00 0.00 38.32 39.94 1lqw h ASN 126 CO 0.76 0.23 -0.80 -0.13 -1.29 0.00 0.00 177.43 176.19 1lqw s ARG 127 N -4.82 1.02 0.05 6.67 0.52 -1.26 -0.71 118.95 120.42 1lqw s ARG 127 Ca -0.05 -0.70 -0.16 0.00 -0.52 0.00 0.00 55.73 54.31 1lqw s ARG 127 Cb 0.16 -1.03 0.03 0.00 0.52 0.00 0.00 34.95 34.63 1lqw s ARG 127 CO 0.71 0.26 0.35 0.96 0.02 0.00 0.00 175.30 177.60 1lqw s ILE 128 N -0.70 0.07 -0.16 1.52 -4.36 -0.82 -0.12 121.20 116.63 1lqw s ILE 128 Ca 0.03 -0.60 0.01 0.00 -0.26 0.00 0.00 60.65 59.84 1lqw s ILE 128 Cb -0.07 -0.98 0.01 0.00 1.25 0.00 0.00 42.46 42.66 1lqw s ILE 128 CO 0.01 -0.33 -0.18 -0.89 0.24 0.00 0.00 174.94 173.79 1lqw s THR 129 N -2.70 2.32 -0.02 8.37 2.01 -0.32 -0.39 115.64 124.90 1lqw s THR 129 Ca -0.04 -0.88 -0.01 0.00 0.31 0.00 0.00 61.69 61.08 1lqw s THR 129 Cb -0.00 -1.96 -0.04 0.00 0.01 0.00 0.00 72.50 70.50 1lqw s THR 129 CO -0.04 0.53 0.06 -0.63 -0.69 0.00 0.00 174.62 173.85 1lqw s ILE 130 N 0.99 4.64 -0.01 1.82 1.09 0.92 -0.67 121.20 129.98 1lqw s ILE 130 Ca -0.02 -0.37 0.04 0.00 -1.10 0.00 0.00 60.65 59.20 1lqw s ILE 130 Cb -0.15 -3.08 -0.01 0.00 -1.06 0.00 0.00 42.46 38.16 1lqw s ILE 130 CO -0.04 0.41 -0.13 -0.54 -0.10 0.00 0.00 174.94 174.54 1lqw s LYS 131 N -1.53 1.08 0.09 2.79 1.02 -0.58 -0.99 119.74 121.61 1lqw s LYS 131 Ca 0.20 -0.45 -0.10 0.00 0.02 0.00 0.00 55.97 55.64 1lqw s LYS 131 Cb -0.12 -1.03 0.03 0.00 -0.52 0.00 0.00 37.83 36.20 1lqw s LYS 131 CO 0.11 0.26 0.47 0.00 -0.92 0.00 0.00 175.35 175.27 1lqw n ALA 132 N 2.83 -1.23 -2.51 5.17 0.00 0.94 -0.49 120.51 125.22 1lqw n ALA 132 Ca -0.15 -0.47 -0.25 0.00 0.00 0.00 0.00 53.44 52.57 1lqw n ALA 132 Cb 0.55 0.27 -0.13 0.00 0.00 0.00 0.00 19.45 20.14 1lqw n ALA 132 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1lqw s LYS 133 N -2.02 1.27 0.45 0.00 3.01 -0.40 -0.83 119.74 121.21 1lqw s LYS 133 Ca 0.11 -1.03 -0.06 0.00 -1.01 0.00 0.00 55.97 53.98 1lqw s LYS 133 Cb -0.01 -1.45 0.10 0.00 -1.01 0.00 0.00 37.83 35.46 1lqw s LYS 133 CO 0.03 0.36 0.61 -0.40 0.51 0.00 0.00 175.35 176.45 1lqw n ASP 134 N 1.54 0.26 0.07 2.83 5.68 0.57 -0.22 116.55 127.28 1lqw n ASP 134 Ca -0.18 -1.35 0.03 0.00 -0.50 0.00 0.00 54.79 52.79 1lqw n ASP 134 Cb 0.53 -0.45 0.41 0.00 -1.14 0.00 0.00 41.12 40.48 1lqw n ASP 134 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 1lqw h ILE 135 N -1.08 1.14 0.00 2.12 2.10 -1.90 -1.49 117.51 118.40 1lqw h ILE 135 Ca -0.20 -0.51 0.00 0.00 1.08 0.00 0.00 64.86 65.23 1lqw h ILE 135 Cb 0.60 0.91 0.00 0.00 -1.09 0.00 0.00 36.82 37.24 1lqw h ILE 135 CO 0.16 0.18 0.00 1.21 -1.08 0.00 0.00 178.15 178.62 1lqw n GLU 136 N -4.37 0.37 -0.30 2.19 2.13 -1.26 -4.73 120.64 114.68 1lqw n GLU 136 Ca 0.01 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.83 1lqw n GLU 136 Cb 0.18 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.39 1lqw n GLU 136 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1lqw n GLY 137 N 1.31 0.72 3.88 8.31 0.00 -0.56 -4.98 105.19 113.87 1lqw n GLY 137 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 1lqw n GLY 137 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1lqw s ASN 138 N -2.65 6.50 0.34 1.61 0.01 -1.26 -4.67 114.94 114.82 1lqw s ASN 138 Ca 0.00 1.12 -0.28 0.00 -0.71 0.00 0.00 52.86 53.00 1lqw s ASN 138 Cb 0.00 -2.32 -0.10 0.00 0.41 0.00 0.00 41.25 39.24 1lqw s ASN 138 CO 0.00 -0.42 1.22 -1.81 -1.51 0.00 0.00 177.10 174.59 1lqw s ASP 139 N -3.23 6.79 -0.03 -1.22 1.01 -1.26 -0.31 116.67 118.40 1lqw s ASP 139 Ca 0.51 2.51 0.02 0.00 0.71 0.00 0.00 52.55 56.29 1lqw s ASP 139 Cb -0.10 -2.63 0.01 0.00 1.01 0.00 0.00 42.92 41.21 1lqw s ASP 139 CO 0.32 -0.50 -0.06 -0.63 0.21 0.00 0.00 175.17 174.51 1lqw s ILE 140 N -1.22 0.59 -0.06 0.77 -1.09 -0.01 -4.82 121.20 115.35 1lqw s ILE 140 Ca 0.50 -0.20 -0.02 0.00 -2.23 0.00 0.00 60.65 58.70 1lqw s ILE 140 Cb -0.36 -0.57 0.04 0.00 -1.58 0.00 0.00 42.46 39.99 1lqw s ILE 140 CO 0.46 0.21 0.12 -1.58 -1.23 0.00 0.00 174.94 172.93 1lqw s GLN 141 N 0.55 0.03 0.00 2.79 0.74 -1.26 -0.04 119.66 122.48 1lqw s GLN 141 Ca -0.08 0.39 0.02 0.00 0.05 0.00 0.00 55.36 55.75 1lqw s GLN 141 Cb -0.11 -0.25 -0.01 0.00 1.10 0.00 0.00 33.01 33.74 1lqw s GLN 141 CO 0.00 -0.22 -0.07 -0.51 -0.55 0.00 0.00 175.29 173.94 1lqw s LEU 142 N 1.57 2.04 -0.34 3.68 1.43 -0.16 -4.96 118.68 121.94 1lqw s LEU 142 Ca -0.04 -0.17 -0.11 0.00 -1.03 0.00 0.00 54.13 52.77 1lqw s LEU 142 Cb -0.12 -0.31 0.00 0.00 0.03 0.00 0.00 46.19 45.80 1lqw s LEU 142 CO -0.05 0.04 0.20 -0.13 0.23 0.00 0.00 176.35 176.64 1lqw s ARG 143 N -0.34 3.19 0.13 1.70 0.52 -1.26 -0.05 118.95 122.83 1lqw s ARG 143 Ca 0.01 -0.84 0.05 0.00 -0.52 0.00 0.00 55.73 54.43 1lqw s ARG 143 Cb -0.03 -3.70 -0.04 0.00 0.52 0.00 0.00 34.95 31.70 1lqw s ARG 143 CO -0.00 -0.54 0.06 -0.51 0.02 0.00 0.00 175.30 174.33 1lqw s LEU 144 N 1.62 3.61 -0.02 2.53 1.43 0.47 -5.00 118.68 123.32 1lqw s LEU 144 Ca 0.04 -0.17 -0.05 0.00 -1.03 0.00 0.00 54.13 52.92 1lqw s LEU 144 Cb -0.18 -2.28 0.01 0.00 0.03 0.00 0.00 46.19 43.77 1lqw s LEU 144 CO 0.08 0.13 0.12 -0.75 0.23 0.00 0.00 176.35 176.15 1lqw s LYS 145 N -2.68 0.29 7.19 1.70 2.20 -1.26 -1.95 119.74 125.23 1lqw s LYS 145 Ca 0.28 -0.11 0.00 0.00 -0.36 0.00 0.00 55.97 55.79 1lqw s LYS 145 Cb -0.11 0.12 0.00 0.00 -1.51 0.00 0.00 37.83 36.33 1lqw s LYS 145 CO 0.21 -0.06 0.00 0.41 -0.36 0.00 0.00 175.35 175.55 1lqw n GLY 146 N 2.31 3.24 0.28 5.54 0.00 0.11 -3.73 105.19 112.95 1lqw n GLY 146 Ca -0.17 -0.22 -0.09 0.00 0.00 0.00 0.00 46.02 45.53 1lqw n GLY 146 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1lqw h TYR 147 N 0.00 -0.68 0.00 1.61 3.20 -1.97 -1.81 116.97 117.32 1lqw h TYR 147 Ca 0.00 0.04 -0.03 0.00 3.14 0.00 0.00 58.73 61.88 1lqw h TYR 147 Cb 0.00 0.33 -0.00 0.00 1.54 0.00 0.00 36.73 38.60 1lqw h TYR 147 CO 0.00 -0.33 -0.13 -1.00 -1.64 0.00 0.00 178.16 175.06 1lqw h PRO 148 N -0.29 0.00 -0.17 1.82 0.13 -1.98 -1.79 132.00 129.72 1lqw h PRO 148 Ca 0.12 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.16 1lqw h PRO 148 Cb 0.47 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.59 1lqw h PRO 148 CO -0.36 0.13 -0.27 0.00 -0.23 0.00 0.00 178.00 177.27 1lqw h ALA 149 N 1.87 1.23 -0.30 -0.56 0.00 -1.45 -1.45 119.26 118.59 1lqw h ALA 149 Ca -0.00 -0.33 -0.17 0.00 0.00 0.00 0.00 54.91 54.41 1lqw h ALA 149 Cb 0.22 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1lqw h ALA 149 CO 0.02 0.51 -0.49 0.82 0.00 0.00 0.00 179.25 180.11 1lqw h ILE 150 N 0.29 1.28 -0.34 0.00 2.04 -0.67 -1.83 117.51 118.28 1lqw h ILE 150 Ca 0.04 -1.67 -0.02 0.00 1.00 0.00 0.00 64.86 64.21 1lqw h ILE 150 Cb 0.63 1.60 -0.01 0.00 -0.74 0.00 0.00 36.82 38.30 1lqw h ILE 150 CO 0.05 0.55 0.14 0.58 0.00 0.00 0.00 178.15 179.46 1lqw h VAL 151 N 0.64 1.18 -0.86 1.67 2.07 -0.98 -0.26 116.25 119.71 1lqw h VAL 151 Ca 0.02 -0.56 -0.03 0.00 0.82 0.00 0.00 66.70 66.96 1lqw h VAL 151 Cb 1.10 0.92 -0.04 0.00 -1.52 0.00 0.00 31.29 31.75 1lqw h VAL 151 CO 0.11 0.20 0.44 -0.26 0.02 0.00 0.00 177.57 178.08 1lqw h PHE 152 N 0.40 1.22 -0.68 1.57 -1.00 -1.23 -1.36 116.94 115.87 1lqw h PHE 152 Ca 0.11 -0.05 -0.06 0.00 2.81 0.00 0.00 57.97 60.79 1lqw h PHE 152 Cb 0.18 -0.38 -0.03 0.00 3.61 0.00 0.00 35.95 39.33 1lqw h PHE 152 CO -0.00 0.86 0.19 1.96 -1.61 0.00 0.00 178.31 179.70 1lqw h GLN 153 N 1.22 1.07 -0.34 1.51 4.20 -1.08 -0.28 115.11 121.41 1lqw h GLN 153 Ca 0.30 -0.25 -0.00 0.00 0.06 0.00 0.00 58.65 58.76 1lqw h GLN 153 Cb 0.08 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.70 1lqw h GLN 153 CO -0.04 0.94 0.19 1.25 -0.67 0.00 0.00 178.83 180.50 1lqw h HIS 154 N 1.00 0.45 -0.22 2.96 2.76 -0.53 -1.83 115.15 119.74 1lqw h HIS 154 Ca 0.21 -0.01 -0.19 0.00 -2.20 0.00 0.00 60.37 58.19 1lqw h HIS 154 Cb 0.34 -0.15 0.00 0.00 1.55 0.00 0.00 27.41 29.15 1lqw h HIS 154 CO 0.03 0.35 -0.62 0.93 -1.30 0.00 0.00 177.93 177.32 1lqw h GLU 155 N 0.43 0.77 -0.77 5.26 4.39 -1.12 -3.13 114.58 120.40 1lqw h GLU 155 Ca 0.12 -0.53 -0.01 0.00 0.34 0.00 0.00 59.36 59.28 1lqw h GLU 155 Cb 0.03 0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 28.72 1lqw h GLU 155 CO -0.02 1.15 0.44 0.82 -1.16 0.00 0.00 179.01 180.24 1lqw h ILE 156 N 0.57 1.23 -0.90 3.13 1.08 -0.98 -2.69 117.51 118.93 1lqw h ILE 156 Ca -0.01 -0.54 0.15 0.00 -0.39 0.00 0.00 64.86 64.08 1lqw h ILE 156 Cb 1.22 0.19 -0.10 0.00 -3.07 0.00 0.00 36.82 35.06 1lqw h ILE 156 CO 0.13 0.24 0.50 0.44 -0.69 0.00 0.00 178.15 178.77 1lqw h ASP 157 N 1.06 0.64 -0.58 1.72 3.32 -1.28 -1.02 116.42 120.27 1lqw h ASP 157 Ca 0.27 0.09 0.08 0.00 0.02 0.00 0.00 57.03 57.49 1lqw h ASP 157 Cb 0.01 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.50 1lqw h ASP 157 CO -0.05 0.27 0.39 0.45 -1.72 0.00 0.00 179.24 178.58 1lqw h HIS 158 N 0.70 0.48 0.00 4.55 3.86 -1.45 0.90 115.15 124.19 1lqw h HIS 158 Ca 0.49 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.72 1lqw h HIS 158 Cb 0.69 -0.16 0.00 0.00 1.06 0.00 0.00 27.41 29.00 1lqw h HIS 158 CO -0.06 0.24 0.00 1.28 0.86 0.00 0.00 177.93 180.25 1lqw n LEU 159 N -4.47 0.12 -0.43 2.43 4.77 -0.39 -2.57 117.00 116.45 1lqw n LEU 159 Ca 0.09 0.52 0.04 0.00 -0.03 0.00 0.00 56.01 56.63 1lqw n LEU 159 Cb 0.31 -0.49 0.08 0.00 -2.33 0.00 0.00 43.42 40.99 1lqw n LEU 159 CO 0.34 -0.17 0.51 0.59 -1.33 0.00 0.00 177.39 177.33 1lqw n ASN 160 N -1.62 2.29 -0.20 -1.43 3.02 0.03 -0.65 115.26 116.70 1lqw n ASN 160 Ca 0.05 -1.72 -0.02 0.00 -0.03 0.00 0.00 54.58 52.85 1lqw n ASN 160 Cb 0.26 -0.10 -0.01 0.00 -0.61 0.00 0.00 39.78 39.32 1lqw n ASN 160 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1lqw n GLY 161 N 0.38 0.49 3.47 7.41 0.00 -0.85 -4.59 105.19 111.50 1lqw n GLY 161 Ca 0.07 -0.94 -0.35 0.00 0.00 0.00 0.00 46.02 44.81 1lqw n GLY 161 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1lqw s VAL 162 N -2.09 4.05 0.18 1.61 1.01 0.10 -4.59 120.40 120.65 1lqw s VAL 162 Ca 0.00 -0.29 0.01 0.00 0.00 0.00 0.00 61.98 61.71 1lqw s VAL 162 Cb 0.00 -2.82 -0.04 0.00 0.00 0.00 0.00 36.38 33.52 1lqw s VAL 162 CO 0.00 0.44 0.33 -0.04 0.00 0.00 0.00 175.10 175.83 1lqw s MET 163 N 0.87 3.47 0.31 2.72 -1.94 -1.26 -3.37 119.30 120.10 1lqw s MET 163 Ca 0.01 -0.51 0.02 0.00 -1.71 0.00 0.00 55.69 53.50 1lqw s MET 163 Cb -0.14 -2.91 0.59 0.00 2.01 0.00 0.00 34.83 34.38 1lqw s MET 163 CO 0.02 0.47 1.88 0.27 -0.01 0.00 0.00 175.02 177.65 1lqw h PHE 164 N 2.02 1.03 0.00 -0.03 -5.15 -1.94 -1.30 116.94 111.57 1lqw h PHE 164 Ca -0.48 0.03 0.00 0.00 -0.20 0.00 0.00 57.97 57.31 1lqw h PHE 164 Cb 1.20 -0.33 0.00 0.00 0.22 0.00 0.00 35.95 37.03 1lqw h PHE 164 CO 0.53 0.47 0.00 2.48 -2.00 0.00 0.00 178.31 179.80 1lqw n TYR 165 N -4.54 0.26 0.24 6.09 4.11 -1.26 -2.05 117.16 120.01 1lqw n TYR 165 Ca 0.16 0.10 0.11 0.00 -0.00 0.00 0.00 57.90 58.27 1lqw n TYR 165 Cb 0.29 -0.67 0.60 0.00 -0.00 0.00 0.00 39.34 39.57 1lqw n TYR 165 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.86 176.42 1lqw h ASP 166 N 0.00 0.00 0.60 9.48 3.32 -1.64 -2.65 116.42 125.53 1lqw h ASP 166 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1lqw h ASP 166 Cb 0.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.83 1lqw h ASP 166 CO 0.00 0.18 -0.44 1.41 -1.72 0.00 0.00 179.24 178.67 1lqw n HIS 167 N -3.59 0.05 -2.64 4.55 8.25 -0.87 -4.88 115.22 116.09 1lqw n HIS 167 Ca -0.01 0.01 -0.43 0.00 -0.26 0.00 0.00 57.72 57.03 1lqw n HIS 167 Cb 0.32 -0.32 -0.02 0.00 1.12 0.00 0.00 29.99 31.09 1lqw n HIS 167 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1lqw s ILE 168 N -3.01 4.57 0.12 1.59 1.01 -1.00 -4.62 121.20 119.86 1lqw s ILE 168 Ca 0.11 1.85 -0.31 0.00 0.00 0.00 0.00 60.65 62.30 1lqw s ILE 168 Cb 0.17 -4.36 -0.10 0.00 0.01 0.00 0.00 42.46 38.19 1lqw s ILE 168 CO 0.68 -0.34 1.69 -0.62 0.00 0.00 0.00 174.94 176.34 1lqw s ASP 169 N 1.50 6.53 0.07 3.58 2.15 -1.26 -4.93 116.67 124.31 1lqw s ASP 169 Ca 0.45 2.63 -0.23 0.00 0.43 0.00 0.00 52.55 55.83 1lqw s ASP 169 Cb -0.14 -2.57 -0.14 0.00 -0.30 0.00 0.00 42.92 39.76 1lqw s ASP 169 CO 0.12 -0.91 1.64 0.07 -0.17 0.00 0.00 175.17 175.92 1lqw h LYS 170 N 7.87 0.06 -0.29 4.34 2.10 -1.96 -1.60 116.57 127.10 1lqw h LYS 170 Ca -0.44 -0.01 -0.12 0.00 -2.00 0.00 0.00 60.65 58.09 1lqw h LYS 170 Cb 1.21 -0.01 -0.00 0.00 -0.90 0.00 0.00 32.23 32.52 1lqw h LYS 170 CO 0.93 0.15 -0.28 -0.91 -2.00 0.00 0.00 179.45 177.34 1lqw h ASN 171 N -0.04 0.74 -2.05 7.07 2.35 -2.05 -3.38 115.58 118.23 1lqw h ASN 171 Ca 0.02 -0.47 -0.56 0.00 -0.55 0.00 0.00 56.30 54.73 1lqw h ASN 171 Cb 0.11 -0.21 -0.40 0.00 0.05 0.00 0.00 38.32 37.87 1lqw h ASN 171 CO -0.00 1.06 -0.99 1.41 -1.65 0.00 0.00 177.43 177.26 1lqw n HIS 172 N -4.27 0.65 -0.12 1.19 8.25 -1.24 -4.97 115.22 114.71 1lqw n HIS 172 Ca -0.04 -3.72 0.03 0.00 -0.26 0.00 0.00 57.72 53.74 1lqw n HIS 172 Cb 0.47 -0.40 0.35 0.00 1.12 0.00 0.00 29.99 31.52 1lqw n HIS 172 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1lqw h PRO 173 N 3.94 0.74 -0.01 -0.41 0.13 -1.47 -3.16 132.00 131.76 1lqw h PRO 173 Ca 0.10 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 1lqw h PRO 173 Cb 0.83 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 31.79 1lqw h PRO 173 CO 0.55 0.49 -0.36 1.28 -0.23 0.00 0.00 178.00 179.73 1lqw n LEU 174 N -4.46 1.55 -4.59 1.56 7.99 -1.26 -0.89 117.00 116.90 1lqw n LEU 174 Ca 0.07 -0.52 -0.42 0.00 -0.01 0.00 0.00 56.01 55.13 1lqw n LEU 174 Cb 0.09 -0.06 -0.06 0.00 -0.11 0.00 0.00 43.42 43.28 1lqw n LEU 174 CO 0.35 0.29 0.48 -1.58 -1.51 0.00 0.00 177.39 175.43 1lqw s GLN 175 N -2.48 3.84 0.44 3.23 0.74 -1.20 -4.84 119.66 119.40 1lqw s GLN 175 Ca 0.22 0.33 -0.25 0.00 0.05 0.00 0.00 55.36 55.71 1lqw s GLN 175 Cb 0.19 -3.76 -0.09 0.00 1.10 0.00 0.00 33.01 30.45 1lqw s GLN 175 CO 0.54 -0.69 1.34 -2.30 -0.55 0.00 0.00 175.29 173.63 1lqw n PRO 176 N 6.12 2.06 -2.40 1.67 -0.02 -1.26 -4.94 135.00 136.22 1lqw n PRO 176 Ca 0.01 0.73 -0.38 0.00 -2.02 0.00 0.00 63.50 61.84 1lqw n PRO 176 Cb 0.48 -2.50 -0.03 0.00 -0.02 0.00 0.00 33.50 31.43 1lqw n PRO 176 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 1lqw s HIS 177 N -1.20 3.22 0.10 6.00 3.76 -1.26 -4.95 115.29 120.95 1lqw s HIS 177 Ca 0.62 1.61 -0.31 0.00 -0.15 0.00 0.00 55.06 56.82 1lqw s HIS 177 Cb -0.48 -3.30 -0.10 0.00 1.11 0.00 0.00 32.58 29.82 1lqw s HIS 177 CO 0.57 -0.98 1.87 0.95 -0.85 0.00 0.00 174.74 176.31 1lqw s THR 178 N -1.44 2.69 0.00 1.30 -4.23 -1.26 -1.83 115.64 110.87 1lqw s THR 178 Ca 0.55 0.04 0.00 0.00 -1.18 0.00 0.00 61.69 61.10 1lqw s THR 178 Cb -0.28 -3.03 0.00 0.00 1.34 0.00 0.00 72.50 70.53 1lqw s THR 178 CO 0.36 -0.00 0.00 -0.90 -0.54 0.00 0.00 174.62 173.54 1lqw n ASP 179 N 6.27 -2.97 -4.80 3.99 5.68 -1.26 -5.04 116.55 118.42 1lqw n ASP 179 Ca 0.18 0.00 -0.38 0.00 -0.50 0.00 0.00 54.79 54.09 1lqw n ASP 179 Cb 0.39 -0.49 -0.06 0.00 -1.14 0.00 0.00 41.12 39.82 1lqw n ASP 179 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1lqw s ALA 180 N -2.00 3.59 0.06 2.12 0.00 -0.76 -4.57 121.76 120.21 1lqw s ALA 180 Ca 0.00 -0.08 -0.20 0.00 0.00 0.00 0.00 51.96 51.68 1lqw s ALA 180 Cb 0.00 -2.57 -0.06 0.00 0.00 0.00 0.00 23.12 20.48 1lqw s ALA 180 CO 0.00 0.34 0.60 0.54 0.00 0.00 0.00 175.76 177.24 1lqw s VAL 181 N -0.74 4.74 -0.04 0.00 0.11 0.42 -4.91 120.40 119.99 1lqw s VAL 181 Ca 0.27 1.29 -0.18 0.00 -2.93 0.00 0.00 61.98 60.43 1lqw s VAL 181 Cb -0.18 -3.94 -0.05 0.00 -1.53 0.00 0.00 36.38 30.68 1lqw s VAL 181 CO 0.16 0.51 0.51 -0.70 -3.33 0.00 0.00 175.10 172.25 1lqw s GLU 182 N -0.86 4.23 0.00 1.54 2.12 -1.26 -1.19 118.70 123.28 1lqw s GLU 182 Ca 0.30 0.57 0.00 0.00 0.36 0.00 0.00 54.97 56.20 1lqw s GLU 182 Cb -0.20 -3.34 0.00 0.00 0.26 0.00 0.00 34.13 30.85 1lqw s GLU 182 CO 0.19 0.39 0.35 1.33 -0.54 0.00 0.00 175.26 176.98