#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mlx s VAL 2 N 0.00 2.87 0.03 5.09 1.01 -1.26 -4.62 120.40 123.53 3mlx s VAL 2 Ca 0.00 0.67 0.06 0.00 0.00 0.00 0.00 61.98 62.71 3mlx s VAL 2 Cb 0.00 -3.43 -0.02 0.00 0.00 0.00 0.00 36.38 32.93 3mlx s VAL 2 CO 0.00 0.08 -0.18 -1.10 0.00 0.00 0.00 175.10 173.90 3mlx s GLN 3 N 0.50 1.24 -0.05 2.72 -0.21 -0.24 -4.99 119.66 118.63 3mlx s GLN 3 Ca 0.64 -0.82 0.04 0.00 0.02 0.00 0.00 55.36 55.24 3mlx s GLN 3 Cb -0.41 -1.29 -0.03 0.00 1.00 0.00 0.00 33.01 32.29 3mlx s GLN 3 CO 0.36 0.33 -0.15 -0.51 -2.12 0.00 0.00 175.29 173.20 3mlx s LEU 4 N -1.01 2.69 -0.05 2.90 1.43 -1.26 -1.36 118.68 122.01 3mlx s LEU 4 Ca 0.05 -0.22 -0.02 0.00 -1.03 0.00 0.00 54.13 52.92 3mlx s LEU 4 Cb -0.08 -1.54 0.03 0.00 0.03 0.00 0.00 46.19 44.63 3mlx s LEU 4 CO 0.01 0.34 0.04 -1.58 0.23 0.00 0.00 176.35 175.40 3mlx s GLN 5 N -0.71 0.13 0.44 1.70 2.00 -0.60 -4.18 119.66 118.44 3mlx s GLN 5 Ca 0.11 0.29 -0.18 0.00 -2.00 0.00 0.00 55.36 53.58 3mlx s GLN 5 Cb -0.11 -0.64 -0.10 0.00 0.80 0.00 0.00 33.01 32.97 3mlx s GLN 5 CO 0.00 -0.32 0.92 -1.21 -0.50 0.00 0.00 175.29 174.19 3mlx s GLU 6 N 2.08 4.10 -0.06 1.67 8.01 -1.26 -0.95 118.70 132.29 3mlx s GLU 6 Ca 0.05 0.98 -0.02 0.00 0.01 0.00 0.00 54.97 55.98 3mlx s GLU 6 Cb -0.12 -2.21 0.03 0.00 -4.31 0.00 0.00 34.13 27.52 3mlx s GLU 6 CO -0.04 -0.07 0.06 -1.54 0.01 0.00 0.00 175.26 173.68 3mlx s SER 7 N -2.50 1.29 0.19 -0.19 1.04 0.01 -4.97 113.70 108.58 3mlx s SER 7 Ca 0.60 -0.00 -0.06 0.00 0.48 0.00 0.00 55.95 56.96 3mlx s SER 7 Cb -0.09 -0.17 -0.02 0.00 0.10 0.00 0.00 66.02 65.83 3mlx s SER 7 CO 0.20 -0.26 0.24 -0.83 0.98 0.00 0.00 173.24 173.57 3mlx s GLY 8 N 2.15 0.85 0.37 7.32 0.00 -1.26 -1.94 107.32 114.82 3mlx s GLY 8 Ca 0.05 -1.21 0.17 0.00 0.00 0.00 0.00 44.72 43.72 3mlx s GLY 8 CO -0.04 -1.04 1.78 -0.56 0.00 0.00 0.00 173.10 173.24 3mlx h PRO 9 N 2.56 0.00 0.00 2.90 0.13 -1.94 -3.48 132.00 132.18 3mlx h PRO 9 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 3mlx h PRO 9 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 3mlx h PRO 9 CO 0.49 0.39 0.00 0.41 -0.23 0.00 0.00 178.00 179.05 3mlx n GLY 10 N -0.06 1.98 3.75 1.56 0.00 -1.26 -4.92 105.19 106.24 3mlx n GLY 10 Ca -0.01 -0.43 -0.34 0.00 0.00 0.00 0.00 46.02 45.24 3mlx n GLY 10 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mlx s LEU 11 N 0.00 3.81 -0.02 0.99 1.43 -1.26 0.89 118.68 124.52 3mlx s LEU 11 Ca 0.00 0.17 -0.01 0.00 -1.03 0.00 0.00 54.13 53.26 3mlx s LEU 11 Cb 0.00 -2.07 0.02 0.00 0.03 0.00 0.00 46.19 44.17 3mlx s LEU 11 CO 0.00 0.33 0.05 -0.69 0.23 0.00 0.00 176.35 176.26 3mlx s VAL 12 N -1.06 -0.02 0.21 -1.59 1.01 0.06 -4.91 120.40 114.09 3mlx s VAL 12 Ca 0.18 0.08 -0.30 0.00 0.00 0.00 0.00 61.98 61.95 3mlx s VAL 12 Cb -0.12 -0.09 -0.08 0.00 0.00 0.00 0.00 36.38 36.09 3mlx s VAL 12 CO 0.08 0.03 1.10 -0.54 0.00 0.00 0.00 175.10 175.78 3mlx s LYS 13 N 0.45 4.61 0.57 2.72 -0.14 -1.26 -1.32 119.74 125.36 3mlx s LYS 13 Ca -0.04 1.75 -0.20 0.00 -1.36 0.00 0.00 55.97 56.12 3mlx s LYS 13 Cb -0.05 -3.25 -0.04 0.00 -1.68 0.00 0.00 37.83 32.80 3mlx s LYS 13 CO -0.01 0.11 1.24 -0.35 -0.76 0.00 0.00 175.35 175.58 3mlx n PRO 14 N 2.06 1.38 0.00 -1.68 -0.04 -1.26 -1.86 135.00 133.60 3mlx n PRO 14 Ca 0.02 0.52 0.00 0.00 -0.04 0.00 0.00 63.50 63.99 3mlx n PRO 14 Cb 0.46 -2.45 0.00 0.00 -0.04 0.00 0.00 33.50 31.47 3mlx n PRO 14 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3mlx n SER 15 N -1.06 0.00 -4.13 3.54 3.41 0.24 -4.90 113.62 110.72 3mlx n SER 15 Ca 0.12 0.00 -0.26 0.00 -0.26 0.00 0.00 58.87 58.48 3mlx n SER 15 Cb 0.46 0.00 0.16 0.00 -0.26 0.00 0.00 64.21 64.57 3mlx n SER 15 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3mlx n GLU 16 N -2.00 -0.72 -3.69 4.33 1.02 -0.78 -3.52 120.64 115.28 3mlx n GLU 16 Ca 0.00 -2.29 -0.36 0.00 -0.02 0.00 0.00 57.16 54.49 3mlx n GLU 16 Cb 0.00 -1.01 -0.07 0.00 -0.02 0.00 0.00 31.44 30.33 3mlx n GLU 16 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3mlx s THR 17 N -3.44 5.37 -0.20 2.62 2.01 -1.26 -2.21 115.64 118.53 3mlx s THR 17 Ca 0.69 0.34 -0.17 0.00 0.31 0.00 0.00 61.69 62.87 3mlx s THR 17 Cb -0.03 -3.52 -0.04 0.00 0.01 0.00 0.00 72.50 68.93 3mlx s THR 17 CO 0.47 0.47 0.44 -0.22 -0.69 0.00 0.00 174.62 175.10 3mlx s LEU 18 N 0.01 4.15 -0.13 4.42 0.20 0.91 -4.92 118.68 123.32 3mlx s LEU 18 Ca 0.13 0.56 0.02 0.00 0.69 0.00 0.00 54.13 55.53 3mlx s LEU 18 Cb -0.12 -2.58 0.01 0.00 -0.43 0.00 0.00 46.19 43.07 3mlx s LEU 18 CO 0.02 -0.12 -0.18 -0.44 -0.29 0.00 0.00 176.35 175.34 3mlx s SER 19 N 1.11 2.77 0.14 3.68 0.01 -1.26 -0.48 113.70 119.68 3mlx s SER 19 Ca 0.21 -0.52 0.07 0.00 1.31 0.00 0.00 55.95 57.02 3mlx s SER 19 Cb -0.15 -1.26 -0.04 0.00 0.21 0.00 0.00 66.02 64.78 3mlx s SER 19 CO 0.09 0.04 -0.16 -0.76 0.41 0.00 0.00 173.24 172.86 3mlx s LEU 20 N 0.95 2.42 0.03 2.44 1.43 -0.16 -4.44 118.68 121.35 3mlx s LEU 20 Ca -0.06 -0.84 0.02 0.00 -1.03 0.00 0.00 54.13 52.23 3mlx s LEU 20 Cb -0.15 -0.66 -0.02 0.00 0.03 0.00 0.00 46.19 45.39 3mlx s LEU 20 CO -0.03 -0.10 -0.08 -0.89 0.23 0.00 0.00 176.35 175.48 3mlx s THR 21 N -2.12 0.57 -0.09 5.49 2.01 -0.82 -0.78 115.64 119.90 3mlx s THR 21 Ca 0.12 -0.92 0.03 0.00 0.31 0.00 0.00 61.69 61.22 3mlx s THR 21 Cb -0.05 -0.60 0.01 0.00 0.01 0.00 0.00 72.50 71.87 3mlx s THR 21 CO 0.04 -0.26 -0.18 0.00 -0.69 0.00 0.00 174.62 173.54 3mlx s THR 23 N 0.67 4.46 -0.24 0.00 2.01 -0.12 -2.15 115.64 120.27 3mlx s THR 23 Ca -0.13 -0.13 -0.11 0.00 0.31 0.00 0.00 61.69 61.63 3mlx s THR 23 Cb -0.16 -3.05 -0.05 0.00 0.01 0.00 0.00 72.50 69.24 3mlx s THR 23 CO 0.03 0.38 0.17 -0.69 -0.69 0.00 0.00 174.62 173.83 3mlx s VAL 24 N 1.13 5.35 0.14 3.82 1.01 -0.29 -1.55 120.40 130.01 3mlx s VAL 24 Ca 0.04 0.20 0.06 0.00 0.00 0.00 0.00 61.98 62.28 3mlx s VAL 24 Cb -0.14 -3.51 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 3mlx s VAL 24 CO 0.03 0.34 -0.14 -0.94 0.00 0.00 0.00 175.10 174.39 3mlx s SER 25 N 1.10 2.09 -0.38 3.32 1.04 -0.47 -4.70 113.70 115.70 3mlx s SER 25 Ca 0.08 -0.85 0.00 0.00 0.48 0.00 0.00 55.95 55.66 3mlx s SER 25 Cb -0.14 -0.08 0.00 0.00 0.10 0.00 0.00 66.02 65.91 3mlx s SER 25 CO 0.05 -0.15 0.00 0.61 0.98 0.00 0.00 173.24 174.73 3mlx n GLY 26 N 0.36 0.62 0.00 7.32 0.00 -1.26 -1.08 105.19 111.16 3mlx n GLY 26 Ca -0.14 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.55 3mlx n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mlx n GLY 27 N -1.79 0.84 3.22 -0.02 0.00 -1.26 -4.03 105.19 102.15 3mlx n GLY 27 Ca -0.04 -0.76 -0.09 0.00 0.00 0.00 0.00 46.02 45.13 3mlx n GLY 27 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3mlx s SER 28 N 0.07 0.16 0.24 1.61 1.04 -1.26 -4.96 113.70 110.59 3mlx s SER 28 Ca 0.00 -0.80 -0.04 0.00 0.48 0.00 0.00 55.95 55.59 3mlx s SER 28 Cb 0.00 0.35 0.25 0.00 0.10 0.00 0.00 66.02 66.72 3mlx s SER 28 CO 0.00 -0.76 1.74 0.40 0.98 0.00 0.00 173.24 175.60 3mlx h ILE 29 N 2.75 1.25 -1.22 -1.02 1.08 -1.90 -3.46 117.51 114.99 3mlx h ILE 29 Ca -0.33 -1.01 -0.73 0.00 -0.39 0.00 0.00 64.86 62.40 3mlx h ILE 29 Cb 1.20 0.77 0.07 0.00 -3.07 0.00 0.00 36.82 35.79 3mlx h ILE 29 CO 0.55 0.37 -0.03 -0.24 -0.69 0.00 0.00 178.15 178.11 3mlx n SER 30 N -4.22 0.02 0.00 1.72 2.88 -1.26 -2.23 113.62 110.53 3mlx n SER 30 Ca 0.03 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.72 3mlx n SER 30 Cb 0.29 -1.00 0.00 0.00 -0.75 0.00 0.00 64.21 62.75 3mlx n SER 30 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3mlx n GLY 31 N 1.78 0.62 3.24 0.46 0.00 -1.26 -5.02 105.19 105.02 3mlx n GLY 31 Ca 0.18 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.07 3mlx n GLY 31 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3mlx s PHE 32 N -2.68 1.21 -0.10 1.61 0.40 -0.95 -5.01 117.98 112.46 3mlx s PHE 32 Ca 0.00 -0.79 -0.05 0.00 -0.60 0.00 0.00 56.93 55.48 3mlx s PHE 32 Cb 0.00 -0.63 -0.04 0.00 0.51 0.00 0.00 43.02 42.86 3mlx s PHE 32 CO 0.00 0.04 0.11 -1.01 0.70 0.00 0.00 175.22 175.06 3mlx s HIS 33 N -3.38 3.49 0.05 0.36 3.76 -1.26 -2.06 115.29 116.25 3mlx s HIS 33 Ca 0.16 0.43 0.07 0.00 -0.15 0.00 0.00 55.06 55.58 3mlx s HIS 33 Cb 0.03 -1.89 -0.03 0.00 1.11 0.00 0.00 32.58 31.80 3mlx s HIS 33 CO -0.00 0.67 -0.20 -1.58 -0.85 0.00 0.00 174.74 172.77 3mlx s TRP 34 N -1.04 1.78 0.23 1.40 0.52 0.95 -1.48 118.94 121.31 3mlx s TRP 34 Ca 0.16 -0.38 0.02 0.00 0.02 0.00 0.00 56.10 55.92 3mlx s TRP 34 Cb -0.12 -1.05 -0.05 0.00 -1.15 0.00 0.00 33.47 31.10 3mlx s TRP 34 CO 0.05 0.11 0.03 -1.12 0.02 0.00 0.00 176.95 176.05 3mlx s SER 35 N -1.29 1.47 -0.06 2.95 0.01 -0.61 -0.26 113.70 115.92 3mlx s SER 35 Ca 0.07 -1.27 0.06 0.00 1.31 0.00 0.00 55.95 56.12 3mlx s SER 35 Cb -0.09 0.09 -0.01 0.00 0.21 0.00 0.00 66.02 66.22 3mlx s SER 35 CO 0.02 -0.61 -0.23 0.26 0.41 0.00 0.00 173.24 173.10 3mlx s TRP 36 N -3.59 2.24 -0.00 2.43 0.52 -1.20 -0.79 118.94 118.55 3mlx s TRP 36 Ca 0.31 -0.67 0.03 0.00 0.02 0.00 0.00 56.10 55.79 3mlx s TRP 36 Cb 0.07 -1.48 -0.01 0.00 -1.15 0.00 0.00 33.47 30.90 3mlx s TRP 36 CO 0.09 -0.21 -0.10 0.42 0.02 0.00 0.00 176.95 177.17 3mlx s ILE 37 N -0.09 0.81 0.18 2.03 1.09 -0.04 -1.14 121.20 124.05 3mlx s ILE 37 Ca -0.04 -0.48 0.08 0.00 -1.10 0.00 0.00 60.65 59.11 3mlx s ILE 37 Cb -0.13 -0.69 -0.04 0.00 -1.06 0.00 0.00 42.46 40.54 3mlx s ILE 37 CO 0.03 0.20 -0.16 0.00 -0.10 0.00 0.00 174.94 174.92 3mlx s ARG 38 N -0.32 1.27 -0.23 2.79 1.70 -0.37 0.03 118.95 123.83 3mlx s ARG 38 Ca 0.03 -1.48 -0.04 0.00 -0.47 0.00 0.00 55.73 53.77 3mlx s ARG 38 Cb -0.04 -1.17 0.09 0.00 -0.57 0.00 0.00 34.95 33.25 3mlx s ARG 38 CO -0.00 0.21 0.15 -1.14 -1.08 0.00 0.00 175.30 173.44 3mlx s GLN 39 N -3.23 0.15 0.67 3.89 0.74 -0.15 -0.64 119.66 121.09 3mlx s GLN 39 Ca 0.18 -0.18 -0.16 0.00 0.05 0.00 0.00 55.36 55.25 3mlx s GLN 39 Cb -0.03 -1.39 0.00 0.00 1.10 0.00 0.00 33.01 32.69 3mlx s GLN 39 CO 0.06 -0.81 1.19 -1.25 -0.55 0.00 0.00 175.29 173.93 3mlx s PRO 40 N 2.18 2.57 -0.01 1.67 0.04 -1.26 -1.23 135.00 138.96 3mlx s PRO 40 Ca 0.06 1.73 -0.36 0.00 0.04 0.00 0.00 61.00 62.47 3mlx s PRO 40 Cb -0.16 -1.89 -0.14 0.00 0.04 0.00 0.00 34.50 32.35 3mlx s PRO 40 CO -0.21 -1.50 1.62 -0.35 0.04 0.00 0.00 177.00 176.60 3mlx n PRO 41 N -2.23 1.69 -0.87 0.56 -0.04 -1.26 -1.14 135.00 131.70 3mlx n PRO 41 Ca 0.13 0.61 0.00 0.00 -0.04 0.00 0.00 63.50 64.20 3mlx n PRO 41 Cb 0.50 -2.35 0.00 0.00 -0.04 0.00 0.00 33.50 31.61 3mlx n PRO 41 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3mlx n GLY 42 N 3.56 0.62 0.02 0.55 0.00 -1.26 -4.99 105.19 103.70 3mlx n GLY 42 Ca 0.21 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.22 3mlx n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3mlx n LYS 43 N -1.95 1.65 -1.75 1.61 5.02 -0.29 -5.15 118.16 117.30 3mlx n LYS 43 Ca 0.00 -0.02 -0.30 0.00 -2.02 0.00 0.00 58.31 55.97 3mlx n LYS 43 Cb 0.03 0.00 0.21 0.00 -0.02 0.00 0.00 35.03 35.26 3mlx n LYS 43 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3mlx s GLY 44 N -1.36 1.77 -0.06 0.72 0.00 -1.26 -4.67 107.32 102.46 3mlx s GLY 44 Ca 0.00 -1.26 -0.12 0.00 0.00 0.00 0.00 44.72 43.34 3mlx s GLY 44 CO 0.00 -0.41 0.30 1.08 0.00 0.00 0.00 173.10 174.07 3mlx s LEU 45 N -6.18 4.42 -0.11 0.66 1.43 -1.26 -4.02 118.68 113.62 3mlx s LEU 45 Ca 0.75 0.75 -0.01 0.00 -1.03 0.00 0.00 54.13 54.59 3mlx s LEU 45 Cb -0.04 -2.38 0.03 0.00 0.03 0.00 0.00 46.19 43.83 3mlx s LEU 45 CO 0.54 0.33 -0.03 -0.70 0.23 0.00 0.00 176.35 176.72 3mlx s GLU 46 N -0.91 1.06 0.24 1.70 2.12 0.19 -4.98 118.70 118.12 3mlx s GLU 46 Ca 0.20 -0.13 -0.30 0.00 0.36 0.00 0.00 54.97 55.10 3mlx s GLU 46 Cb -0.15 -1.40 -0.09 0.00 0.26 0.00 0.00 34.13 32.76 3mlx s GLU 46 CO 0.09 -0.32 1.23 -0.47 -0.54 0.00 0.00 175.26 175.25 3mlx s TYR 47 N 1.83 3.33 -0.24 5.30 5.04 -1.26 -1.24 117.35 130.11 3mlx s TYR 47 Ca 0.04 1.43 0.03 0.00 -2.44 0.00 0.00 57.07 56.13 3mlx s TYR 47 Cb -0.13 -3.50 -0.17 0.00 0.35 0.00 0.00 41.96 38.52 3mlx s TYR 47 CO -0.07 -1.38 -0.20 -0.89 -1.34 0.00 0.00 175.55 171.67 3mlx n ILE 48 N 1.89 1.40 -0.35 3.14 5.41 -0.29 -4.73 119.36 125.83 3mlx n ILE 48 Ca 0.03 -0.56 0.00 0.00 1.00 0.00 0.00 62.75 63.22 3mlx n ILE 48 Cb 0.44 -1.30 0.00 0.00 -0.71 0.00 0.00 39.64 38.06 3mlx n ILE 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3mlx n GLY 49 N 2.29 -2.57 3.13 7.39 0.00 -1.25 -1.01 105.19 113.18 3mlx n GLY 49 Ca -0.43 -1.27 -0.09 0.00 0.00 0.00 0.00 46.02 44.23 3mlx n GLY 49 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3mlx s TYR 50 N -2.09 0.71 -0.04 1.61 -0.85 -0.07 -3.22 117.35 113.40 3mlx s TYR 50 Ca 0.00 -0.96 -0.02 0.00 -0.52 0.00 0.00 57.07 55.57 3mlx s TYR 50 Cb 0.00 -0.45 0.03 0.00 0.38 0.00 0.00 41.96 41.92 3mlx s TYR 50 CO 0.00 -0.25 0.09 -1.50 -1.52 0.00 0.00 175.55 172.37 3mlx s ILE 51 N -3.64 -0.04 0.46 -3.49 2.07 0.64 -2.23 121.20 114.97 3mlx s ILE 51 Ca 0.09 0.15 -0.12 0.00 -1.41 0.00 0.00 60.65 59.35 3mlx s ILE 51 Cb 0.06 -0.16 -0.07 0.00 0.13 0.00 0.00 42.46 42.42 3mlx s ILE 51 CO -0.07 0.06 0.86 -0.47 -1.91 0.00 0.00 174.94 173.42 3mlx s TYR 52 N 0.87 3.48 0.54 3.50 5.04 -0.12 -0.03 117.35 130.63 3mlx s TYR 52 Ca -0.07 1.20 0.26 0.00 -2.44 0.00 0.00 57.07 56.03 3mlx s TYR 52 Cb -0.09 -2.58 1.43 0.00 0.35 0.00 0.00 41.96 41.07 3mlx s TYR 52 CO -0.04 -0.24 1.98 0.10 -1.34 0.00 0.00 175.55 176.02 3mlx h TYR 53 N 1.00 0.00 0.00 4.97 -0.00 -1.66 0.13 116.97 121.41 3mlx h TYR 53 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.26 3mlx h TYR 53 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.92 3mlx h TYR 53 CO 0.62 0.00 0.00 -1.13 -0.00 0.00 0.00 178.16 177.65 3mlx n SER 54 N -4.27 0.58 0.00 0.10 3.41 -1.26 -4.85 113.62 107.32 3mlx n SER 54 Ca 0.10 0.57 0.00 0.00 -0.26 0.00 0.00 58.87 59.28 3mlx n SER 54 Cb 0.63 -0.72 0.00 0.00 -0.26 0.00 0.00 64.21 63.86 3mlx n SER 54 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3mlx n GLY 55 N 1.07 2.25 3.76 5.00 0.00 0.46 -5.10 105.19 112.64 3mlx n GLY 55 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 3mlx n GLY 55 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3mlx s SER 56 N -1.81 5.95 0.29 1.61 1.04 -1.26 -4.72 113.70 114.80 3mlx s SER 56 Ca 0.00 2.68 0.02 0.00 0.48 0.00 0.00 55.95 59.14 3mlx s SER 56 Cb 0.00 -2.64 -0.06 0.00 0.10 0.00 0.00 66.02 63.43 3mlx s SER 56 CO 0.00 -1.10 0.08 0.42 0.98 0.00 0.00 173.24 173.62 3mlx s THR 57 N -1.30 0.82 -0.26 2.02 -4.23 -1.26 -0.94 115.64 110.49 3mlx s THR 57 Ca 0.62 -2.00 -0.10 0.00 -1.18 0.00 0.00 61.69 59.03 3mlx s THR 57 Cb -0.38 -2.70 0.11 0.00 1.34 0.00 0.00 72.50 70.86 3mlx s THR 57 CO 0.48 0.00 0.57 -0.55 -0.54 0.00 0.00 174.62 174.58 3mlx s SER 58 N -3.39 -0.79 0.15 3.99 0.15 -0.95 -5.01 113.70 107.85 3mlx s SER 58 Ca 0.37 1.34 0.09 0.00 0.70 0.00 0.00 55.95 58.45 3mlx s SER 58 Cb 0.08 1.76 -0.04 0.00 -1.71 0.00 0.00 66.02 66.11 3mlx s SER 58 CO 0.15 -0.22 -0.16 -0.31 1.20 0.00 0.00 173.24 173.89 3mlx s TYR 59 N 2.51 2.53 0.08 3.44 4.12 -1.26 -0.89 117.35 127.88 3mlx s TYR 59 Ca -0.06 -0.27 -0.31 0.00 0.02 0.00 0.00 57.07 56.46 3mlx s TYR 59 Cb -0.11 -1.29 -0.09 0.00 -1.52 0.00 0.00 41.96 38.95 3mlx s TYR 59 CO -0.17 0.45 1.78 1.21 0.02 0.00 0.00 175.55 178.84 3mlx s ASN 60 N -2.47 6.51 0.53 2.29 3.84 -0.18 -4.85 114.94 120.61 3mlx s ASN 60 Ca 0.21 2.61 0.34 0.00 0.21 0.00 0.00 52.86 56.23 3mlx s ASN 60 Cb -0.09 -2.56 1.50 0.00 -0.55 0.00 0.00 41.25 39.55 3mlx s ASN 60 CO 0.12 -0.97 1.82 -0.65 -2.79 0.00 0.00 177.10 174.63 3mlx h PRO 61 N 8.93 0.04 0.00 0.43 0.11 -1.96 0.71 132.00 140.26 3mlx h PRO 61 Ca -0.45 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3mlx h PRO 61 Cb 1.21 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3mlx h PRO 61 CO 0.94 0.02 0.00 -1.13 -0.21 0.00 0.00 178.00 177.63 3mlx n SER 62 N -4.24 0.25 0.00 -2.05 3.41 -1.26 -3.16 113.62 106.58 3mlx n SER 62 Ca 0.24 0.55 0.00 0.00 -0.26 0.00 0.00 58.87 59.40 3mlx n SER 62 Cb 1.15 -0.61 0.00 0.00 -0.26 0.00 0.00 64.21 64.49 3mlx n SER 62 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3mlx n LEU 63 N -1.77 0.76 -0.17 1.04 4.77 0.19 -4.84 117.00 116.98 3mlx n LEU 63 Ca 0.04 -0.77 0.22 0.00 -0.03 0.00 0.00 56.01 55.46 3mlx n LEU 63 Cb 0.23 0.00 0.61 0.00 -2.33 0.00 0.00 43.42 41.93 3mlx n LEU 63 CO 0.18 0.19 1.23 0.07 -1.33 0.00 0.00 177.39 177.73 3mlx h LYS 64 N 0.00 0.19 0.00 3.23 2.10 -1.36 -0.26 116.57 120.48 3mlx h LYS 64 Ca 0.00 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 3mlx h LYS 64 Cb 0.10 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 31.39 3mlx h LYS 64 CO 0.00 0.13 0.00 -1.13 -2.00 0.00 0.00 179.45 176.45 3mlx n SER 65 N -4.40 0.00 0.00 7.07 3.41 -1.26 -3.86 113.62 114.57 3mlx n SER 65 Ca 0.17 -0.76 0.00 0.00 -0.26 0.00 0.00 58.87 58.02 3mlx n SER 65 Cb 0.75 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.64 3mlx n SER 65 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3mlx n ARG 66 N -1.06 1.59 -4.27 4.33 1.74 -0.21 -5.07 116.66 113.70 3mlx n ARG 66 Ca 0.20 -0.03 -0.26 0.00 -0.77 0.00 0.00 57.85 56.99 3mlx n ARG 66 Cb 0.13 -0.26 -0.09 0.00 -1.02 0.00 0.00 32.46 31.23 3mlx n ARG 66 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3mlx s VAL 67 N -0.24 3.34 -0.05 1.55 0.11 -0.60 -4.23 120.40 120.28 3mlx s VAL 67 Ca 0.00 -1.64 -0.27 0.00 -2.93 0.00 0.00 61.98 57.14 3mlx s VAL 67 Cb 0.00 -2.68 0.06 0.00 -1.53 0.00 0.00 36.38 32.23 3mlx s VAL 67 CO 0.00 -0.14 0.60 -0.94 -3.33 0.00 0.00 175.10 171.29 3mlx s SER 68 N -2.96 -0.56 0.05 3.54 1.04 -0.87 -4.90 113.70 109.04 3mlx s SER 68 Ca 0.26 0.62 0.03 0.00 0.48 0.00 0.00 55.95 57.34 3mlx s SER 68 Cb -0.09 0.54 -0.03 0.00 0.10 0.00 0.00 66.02 66.55 3mlx s SER 68 CO 0.17 -0.55 -0.09 -0.04 0.98 0.00 0.00 173.24 173.70 3mlx s MET 69 N -1.13 0.62 0.17 4.02 -1.94 -1.26 -1.41 119.30 118.37 3mlx s MET 69 Ca -0.11 -0.84 -0.01 0.00 -1.71 0.00 0.00 55.69 53.02 3mlx s MET 69 Cb -0.01 -0.42 -0.04 0.00 2.01 0.00 0.00 34.83 36.36 3mlx s MET 69 CO 0.08 0.08 0.08 -1.54 -0.01 0.00 0.00 175.02 173.71 3mlx s SER 70 N -1.71 0.43 0.01 3.03 1.04 -1.08 -4.97 113.70 110.44 3mlx s SER 70 Ca -0.07 -1.29 0.01 0.00 0.48 0.00 0.00 55.95 55.09 3mlx s SER 70 Cb -0.09 0.29 -0.01 0.00 0.10 0.00 0.00 66.02 66.31 3mlx s SER 70 CO 0.01 -0.75 -0.05 0.54 0.98 0.00 0.00 173.24 173.97 3mlx s VAL 71 N -4.02 0.32 -0.49 5.02 0.11 -1.26 -0.29 120.40 119.79 3mlx s VAL 71 Ca 0.31 -0.50 0.03 0.00 -2.93 0.00 0.00 61.98 58.88 3mlx s VAL 71 Cb 0.07 -0.33 0.15 0.00 -1.53 0.00 0.00 36.38 34.73 3mlx s VAL 71 CO 0.07 -0.13 0.30 -0.62 -3.33 0.00 0.00 175.10 171.39 3mlx s ASP 72 N -0.68 3.60 0.53 3.54 3.68 0.10 -4.98 116.67 122.47 3mlx s ASP 72 Ca -0.04 -2.93 0.21 0.00 2.13 0.00 0.00 52.55 51.92 3mlx s ASP 72 Cb -0.05 -1.10 1.35 0.00 -1.45 0.00 0.00 42.92 41.67 3mlx s ASP 72 CO -0.00 -0.22 2.06 0.71 0.13 0.00 0.00 175.17 177.85 3mlx h THR 73 N 5.03 0.84 0.00 1.71 1.35 -1.89 0.53 112.91 120.48 3mlx h THR 73 Ca 0.05 0.00 -0.04 0.00 -0.55 0.00 0.00 66.41 65.87 3mlx h THR 73 Cb 0.89 0.85 -0.01 0.00 -1.73 0.00 0.00 68.15 68.15 3mlx h THR 73 CO 0.52 0.00 -0.19 0.77 -0.25 0.00 0.00 175.52 176.37 3mlx h SER 74 N 0.00 0.00 -0.01 5.36 4.64 -1.93 -2.29 113.55 119.32 3mlx h SER 74 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 3mlx h SER 74 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 3mlx h SER 74 CO -0.00 0.19 -0.15 0.54 -0.87 0.00 0.00 176.83 176.54 3mlx n ARG 75 N -4.12 1.48 -3.58 4.77 1.74 -0.64 -4.99 116.66 111.32 3mlx n ARG 75 Ca -0.02 -0.93 -0.20 0.00 -0.77 0.00 0.00 57.85 55.93 3mlx n ARG 75 Cb 0.26 -1.20 0.06 0.00 -1.02 0.00 0.00 32.46 30.57 3mlx n ARG 75 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3mlx n ASN 76 N 0.18 -1.78 -4.17 0.55 3.02 0.08 -4.75 115.26 108.40 3mlx n ASN 76 Ca 0.06 -0.72 -0.15 0.00 -0.03 0.00 0.00 54.58 53.74 3mlx n ASN 76 Cb 0.29 -4.56 -0.11 0.00 -0.61 0.00 0.00 39.78 34.79 3mlx n ASN 76 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3mlx s GLN 77 N -5.73 0.82 0.04 3.52 -0.21 -0.87 -1.14 119.66 116.09 3mlx s GLN 77 Ca 0.03 -1.09 0.01 0.00 0.02 0.00 0.00 55.36 54.34 3mlx s GLN 77 Cb -0.02 -0.58 -0.03 0.00 1.00 0.00 0.00 33.01 33.39 3mlx s GLN 77 CO 0.77 0.10 -0.05 -0.59 -2.12 0.00 0.00 175.29 173.41 3mlx s PHE 78 N -2.11 0.47 0.35 0.91 -0.12 -0.91 0.03 117.98 116.60 3mlx s PHE 78 Ca 0.03 -0.65 0.03 0.00 -0.05 0.00 0.00 56.93 56.29 3mlx s PHE 78 Cb -0.05 -0.31 -0.05 0.00 -0.63 0.00 0.00 43.02 41.98 3mlx s PHE 78 CO 0.01 -0.19 0.09 -1.12 -0.05 0.00 0.00 175.22 173.95 3mlx s SER 79 N -1.89 2.36 -0.01 1.98 0.01 0.61 -0.79 113.70 115.97 3mlx s SER 79 Ca -0.08 -1.48 0.02 0.00 1.31 0.00 0.00 55.95 55.71 3mlx s SER 79 Cb -0.06 0.16 -0.00 0.00 0.21 0.00 0.00 66.02 66.34 3mlx s SER 79 CO -0.03 -0.74 -0.05 -0.22 0.41 0.00 0.00 173.24 172.61 3mlx s LEU 80 N -3.51 1.91 -0.13 2.44 2.96 0.04 -2.65 118.68 119.75 3mlx s LEU 80 Ca 0.32 -0.10 -0.02 0.00 -0.22 0.00 0.00 54.13 54.11 3mlx s LEU 80 Cb 0.06 -0.30 0.04 0.00 0.50 0.00 0.00 46.19 46.50 3mlx s LEU 80 CO 0.15 0.05 0.00 -1.61 -1.32 0.00 0.00 176.35 173.62 3mlx s GLU 81 N 0.01 0.78 0.29 1.98 2.02 -0.50 -0.99 118.70 122.29 3mlx s GLU 81 Ca 0.00 -0.19 0.11 0.00 0.02 0.00 0.00 54.97 54.91 3mlx s GLU 81 Cb -0.04 -1.58 -0.05 0.00 0.10 0.00 0.00 34.13 32.56 3mlx s GLU 81 CO -0.00 -0.45 -0.14 -1.17 0.02 0.00 0.00 175.26 173.52 3mlx s LEU 82 N 1.87 2.73 0.00 1.80 2.96 0.37 -2.05 118.68 126.36 3mlx s LEU 82 Ca 0.02 -0.99 0.00 0.00 -0.22 0.00 0.00 54.13 52.94 3mlx s LEU 82 Cb -0.14 -1.20 0.00 0.00 0.50 0.00 0.00 46.19 45.35 3mlx s LEU 82 CO -0.07 -0.01 0.00 -1.20 -1.32 0.00 0.00 176.35 173.75 3mlx n SER 82 N -0.71 0.00 -4.76 3.68 7.64 -1.17 -0.06 113.62 118.24 3mlx n SER 82 Ca -0.05 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.49 3mlx n SER 82 Cb 0.60 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.84 3mlx n SER 82 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 3mlx s VAL 82 N -1.65 2.99 0.32 0.44 -7.23 -0.94 -4.52 120.40 109.81 3mlx s VAL 82 Ca 0.00 0.53 0.05 0.00 -1.81 0.00 0.00 61.98 60.75 3mlx s VAL 82 Cb 0.00 -3.11 -0.03 0.00 0.56 0.00 0.00 36.38 33.80 3mlx s VAL 82 CO 0.00 -0.22 0.22 0.42 -0.31 0.00 0.00 175.10 175.21 3mlx s THR 83 N -2.01 0.13 0.63 5.32 -4.23 -1.26 0.80 115.64 115.01 3mlx s THR 83 Ca 0.71 -2.00 0.33 0.00 -1.18 0.00 0.00 61.69 59.55 3mlx s THR 83 Cb -0.24 -2.48 0.37 0.00 1.34 0.00 0.00 72.50 71.49 3mlx s THR 83 CO 0.37 0.00 2.11 0.00 -0.54 0.00 0.00 174.62 176.56 3mlx h ALA 84 N 2.15 1.52 0.00 3.99 0.00 -1.82 0.87 119.26 125.98 3mlx h ALA 84 Ca -0.29 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3mlx h ALA 84 Cb 1.24 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3mlx h ALA 84 CO 0.44 -0.25 0.00 0.00 0.00 0.00 0.00 179.25 179.43 3mlx h ALA 85 N 1.70 1.00 -0.06 0.00 0.00 -1.94 -1.91 119.26 118.06 3mlx h ALA 85 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3mlx h ALA 85 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3mlx h ALA 85 CO -0.00 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.00 3mlx n ASP 86 N -2.57 2.24 -4.68 0.00 8.00 0.30 -4.88 116.55 114.96 3mlx n ASP 86 Ca 0.00 -1.75 -0.42 0.00 0.71 0.00 0.00 54.79 53.33 3mlx n ASP 86 Cb 0.19 -0.03 -0.03 0.00 -0.02 0.00 0.00 41.12 41.24 3mlx n ASP 86 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3mlx s THR 87 N -1.95 3.55 -0.12 -3.53 2.01 -0.72 -4.85 115.64 110.03 3mlx s THR 87 Ca 0.34 0.84 -0.34 0.00 0.31 0.00 0.00 61.69 62.84 3mlx s THR 87 Cb 0.20 -3.54 0.15 0.00 0.01 0.00 0.00 72.50 69.32 3mlx s THR 87 CO 0.31 -0.03 1.44 0.00 -0.69 0.00 0.00 174.62 175.65 3mlx s ALA 88 N 3.13 -2.49 -0.10 7.40 0.00 -0.81 -4.38 121.76 124.50 3mlx s ALA 88 Ca 0.69 1.07 -0.23 0.00 0.00 0.00 0.00 51.96 53.49 3mlx s ALA 88 Cb -0.33 0.16 -0.03 0.00 0.00 0.00 0.00 23.12 22.91 3mlx s ALA 88 CO 0.28 -1.01 0.72 0.08 0.00 0.00 0.00 175.76 175.83 3mlx s VAL 89 N -2.01 5.01 -0.16 0.00 1.01 -0.37 -1.26 120.40 122.62 3mlx s VAL 89 Ca 0.15 1.45 -0.06 0.00 0.00 0.00 0.00 61.98 63.52 3mlx s VAL 89 Cb 0.07 -4.05 -0.04 0.00 0.00 0.00 0.00 36.38 32.36 3mlx s VAL 89 CO -0.06 0.19 0.04 -0.31 0.00 0.00 0.00 175.10 174.95 3mlx s TYR 90 N 1.23 3.21 0.05 5.22 1.51 0.53 -0.98 117.35 128.12 3mlx s TYR 90 Ca 0.37 0.02 0.08 0.00 -1.01 0.00 0.00 57.07 56.53 3mlx s TYR 90 Cb -0.17 -2.01 -0.03 0.00 -0.11 0.00 0.00 41.96 39.63 3mlx s TYR 90 CO 0.16 0.18 -0.21 0.71 -1.11 0.00 0.00 175.55 175.27 3mlx s TYR 91 N 0.16 2.46 0.18 2.71 2.02 0.10 -0.92 117.35 124.06 3mlx s TYR 91 Ca 0.03 -0.32 0.06 0.00 -0.37 0.00 0.00 57.07 56.47 3mlx s TYR 91 Cb -0.13 -1.42 -0.04 0.00 -0.40 0.00 0.00 41.96 39.98 3mlx s TYR 91 CO 0.01 0.22 0.12 0.00 -1.57 0.00 0.00 175.55 174.33 3mlx s ALA 93 N -1.81 -1.02 -0.09 0.00 0.00 0.03 -0.70 121.76 118.18 3mlx s ALA 93 Ca 0.31 -0.15 -0.06 0.00 0.00 0.00 0.00 51.96 52.06 3mlx s ALA 93 Cb -0.10 0.85 -0.04 0.00 0.00 0.00 0.00 23.12 23.84 3mlx s ALA 93 CO 0.23 -0.81 0.14 0.50 0.00 0.00 0.00 175.76 175.82 3mlx s ARG 94 N -3.86 3.41 0.30 0.00 3.52 -0.02 -1.57 118.95 120.73 3mlx s ARG 94 Ca 0.08 -0.19 0.07 0.00 -0.13 0.00 0.00 55.73 55.57 3mlx s ARG 94 Cb -0.01 -3.15 -0.03 0.00 -1.56 0.00 0.00 34.95 30.20 3mlx s ARG 94 CO -0.04 0.75 0.27 -0.51 -0.81 0.00 0.00 175.30 174.96 3mlx s ASP 95 N -1.23 5.45 0.13 -2.12 -0.00 -0.55 -2.09 116.67 116.26 3mlx s ASP 95 Ca 0.18 -0.37 -0.14 0.00 -0.00 0.00 0.00 52.55 52.22 3mlx s ASP 95 Cb -0.12 -1.18 0.02 0.00 -0.00 0.00 0.00 42.92 41.64 3mlx s ASP 95 CO 0.07 -0.23 0.35 0.72 -0.00 0.00 0.00 175.17 176.08 3mlx s PHE 96 N -2.22 -0.04 -0.34 4.23 -0.12 -0.78 -4.59 117.98 114.11 3mlx s PHE 96 Ca 0.38 -0.31 0.00 0.00 -0.05 0.00 0.00 56.93 56.95 3mlx s PHE 96 Cb -0.07 0.16 0.00 0.00 -0.63 0.00 0.00 43.02 42.48 3mlx s PHE 96 CO 0.26 -0.69 0.00 0.41 -0.05 0.00 0.00 175.22 175.16 3mlx n GLY 97 N -0.19 -0.71 3.23 1.99 0.00 -1.26 -1.65 105.19 106.60 3mlx n GLY 97 Ca -0.14 -0.27 -0.29 0.00 0.00 0.00 0.00 46.02 45.32 3mlx n GLY 97 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3mlx s GLU 98 N -1.23 1.97 -0.09 1.61 2.12 -0.80 -4.93 118.70 117.35 3mlx s GLU 98 Ca 0.00 -0.79 0.03 0.00 0.36 0.00 0.00 54.97 54.57 3mlx s GLU 98 Cb 0.00 -1.81 -0.02 0.00 0.26 0.00 0.00 34.13 32.56 3mlx s GLU 98 CO 0.00 0.42 -0.16 -0.47 -0.54 0.00 0.00 175.26 174.51 3mlx s TYR 99 N -0.35 2.69 -0.04 5.30 5.04 -1.26 0.14 117.35 128.87 3mlx s TYR 99 Ca 0.04 -0.50 0.06 0.00 -2.44 0.00 0.00 57.07 54.22 3mlx s TYR 99 Cb -0.10 -1.71 -0.02 0.00 0.35 0.00 0.00 41.96 40.47 3mlx s TYR 99 CO 0.01 -0.08 -0.20 -1.01 -1.34 0.00 0.00 175.55 172.92 3mlx s HIS 100 N -0.14 2.52 -0.60 4.97 3.76 0.16 -4.99 115.29 120.97 3mlx s HIS 100 Ca -0.02 -0.32 0.09 0.00 -0.15 0.00 0.00 55.06 54.66 3mlx s HIS 100 Cb -0.14 -1.57 0.52 0.00 1.11 0.00 0.00 32.58 32.50 3mlx s HIS 100 CO 0.04 0.06 1.30 0.66 -0.85 0.00 0.00 174.74 175.95 3mlx n TYR 100 N 2.42 1.30 0.00 1.40 4.02 -1.26 -3.32 117.16 121.72 3mlx n TYR 100 Ca -0.17 -0.46 0.00 0.00 -0.01 0.00 0.00 57.90 57.27 3mlx n TYR 100 Cb 0.52 -0.35 0.00 0.00 -0.02 0.00 0.00 39.34 39.49 3mlx n TYR 100 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 3mlx n ASP 100 N 0.43 0.00 0.00 7.72 5.68 -1.26 -5.02 116.55 124.10 3mlx n ASP 100 Ca 0.18 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.47 3mlx n ASP 100 Cb 0.84 -0.48 0.00 0.00 -1.14 0.00 0.00 41.12 40.33 3mlx n ASP 100 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3mlx n GLY 100 N 1.54 0.00 0.24 6.12 0.00 -1.26 -4.89 105.19 106.94 3mlx n GLY 100 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 3mlx n GLY 100 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3mlx h ARG 100 N 0.00 0.00 0.00 1.61 3.08 -1.96 -3.47 114.38 113.64 3mlx h ARG 100 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3mlx h ARG 100 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3mlx h ARG 100 CO 0.00 0.18 0.00 0.41 -1.07 0.00 0.00 179.97 179.49 3mlx n GLY 100 N -0.36 3.20 3.71 0.04 0.00 -1.21 -4.55 105.19 106.02 3mlx n GLY 100 Ca -0.01 -0.22 -0.40 0.00 0.00 0.00 0.00 46.02 45.39 3mlx n GLY 100 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3mlx s PHE 100 N 0.00 3.55 -0.37 1.61 5.36 -1.26 -0.67 117.98 126.19 3mlx s PHE 100 Ca 0.00 1.26 -0.04 0.00 -0.96 0.00 0.00 56.93 57.19 3mlx s PHE 100 Cb 0.00 -2.85 0.08 0.00 -0.34 0.00 0.00 43.02 39.91 3mlx s PHE 100 CO 0.00 0.02 0.15 -0.65 -1.46 0.00 0.00 175.22 173.28 3mlx s GLN 100 N 1.06 2.27 -0.35 10.12 -0.21 0.12 -5.00 119.66 127.67 3mlx s GLN 100 Ca 0.38 -1.55 -0.29 0.00 0.02 0.00 0.00 55.36 53.92 3mlx s GLN 100 Cb -0.18 -3.49 -0.01 0.00 1.00 0.00 0.00 33.01 30.33 3mlx s GLN 100 CO 0.18 -0.89 1.63 0.00 -2.12 0.00 0.00 175.29 174.08 3mlx n GLU 100 N 8.24 0.77 -3.82 0.00 1.02 -0.66 -4.99 120.64 121.20 3mlx n GLU 100 Ca 0.20 -0.06 -0.01 0.00 -0.02 0.00 0.00 57.16 57.27 3mlx n GLU 100 Cb 0.47 -1.40 0.01 0.00 -0.02 0.00 0.00 31.44 30.49 3mlx n GLU 100 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3mlx s GLY 100 N -3.26 -0.14 -0.15 0.62 0.00 -0.99 -5.00 107.32 98.40 3mlx s GLY 100 Ca 0.02 0.09 -0.01 0.00 0.00 0.00 0.00 44.72 44.82 3mlx s GLY 100 CO 0.77 2.14 -0.01 -1.36 0.00 0.00 0.00 173.10 174.64 3mlx s PHE 100 N -2.40 1.23 -0.05 1.90 0.08 -1.26 -1.86 117.98 115.62 3mlx s PHE 100 Ca 0.20 -0.78 0.11 0.00 0.12 0.00 0.00 56.93 56.58 3mlx s PHE 100 Cb -0.00 -1.10 -0.23 0.00 -0.57 0.00 0.00 43.02 41.12 3mlx s PHE 100 CO 0.01 -0.54 0.65 -0.40 -0.10 0.00 0.00 175.22 174.83 3mlx n ASP 101 N 5.00 0.96 -4.28 1.36 5.75 -0.89 -4.88 116.55 119.57 3mlx n ASP 101 Ca -0.10 0.40 -0.32 0.00 -0.01 0.00 0.00 54.79 54.77 3mlx n ASP 101 Cb 0.48 -0.12 -0.16 0.00 -1.03 0.00 0.00 41.12 40.29 3mlx n ASP 101 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 3mlx s LEU 102 N -6.15 2.22 0.04 -2.12 1.02 -1.25 -4.98 118.68 107.46 3mlx s LEU 102 Ca -0.06 -0.48 0.06 0.00 0.02 0.00 0.00 54.13 53.67 3mlx s LEU 102 Cb 0.08 -1.44 -0.02 0.00 0.02 0.00 0.00 46.19 44.83 3mlx s LEU 102 CO 0.82 0.21 -0.17 0.26 0.02 0.00 0.00 176.35 177.49 3mlx s TRP 103 N 0.05 1.48 0.83 0.29 0.52 -1.26 -0.84 118.94 120.00 3mlx s TRP 103 Ca -0.09 -0.36 -0.14 0.00 0.02 0.00 0.00 56.10 55.53 3mlx s TRP 103 Cb -0.15 -0.88 0.20 0.00 -1.15 0.00 0.00 33.47 31.49 3mlx s TRP 103 CO 0.06 0.06 0.95 0.41 0.02 0.00 0.00 176.95 178.45 3mlx n GLY 104 N 1.86 -1.94 0.04 0.98 0.00 0.12 -4.62 105.19 101.64 3mlx n GLY 104 Ca -0.18 -1.61 0.13 0.00 0.00 0.00 0.00 46.02 44.36 3mlx n GLY 104 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3mlx n GLN 105 N -3.54 0.14 0.00 1.61 6.02 -1.26 -4.82 117.38 115.53 3mlx n GLN 105 Ca 0.12 0.07 0.00 0.00 -0.01 0.00 0.00 57.00 57.19 3mlx n GLN 105 Cb 0.45 -1.62 0.00 0.00 1.02 0.00 0.00 30.24 30.09 3mlx n GLN 105 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3mlx n GLY 106 N 1.41 -0.66 2.94 1.08 0.00 -1.26 -5.02 105.19 103.68 3mlx n GLY 106 Ca 0.05 -1.41 -0.21 0.00 0.00 0.00 0.00 46.02 44.45 3mlx n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3mlx s THR 107 N -2.20 0.72 -0.11 2.61 -1.32 -0.10 -4.90 115.64 110.33 3mlx s THR 107 Ca 0.00 -0.24 -0.30 0.00 -1.21 0.00 0.00 61.69 59.95 3mlx s THR 107 Cb 0.00 -0.70 -0.01 0.00 -1.51 0.00 0.00 72.50 70.27 3mlx s THR 107 CO 0.00 0.26 1.08 -0.22 -2.21 0.00 0.00 174.62 173.53 3mlx s LEU 108 N 0.78 4.23 -0.23 9.08 2.96 -1.26 -0.34 118.68 133.90 3mlx s LEU 108 Ca -0.12 1.60 -0.02 0.00 -0.22 0.00 0.00 54.13 55.36 3mlx s LEU 108 Cb -0.15 -3.55 0.01 0.00 0.50 0.00 0.00 46.19 43.00 3mlx s LEU 108 CO 0.01 -0.54 -0.07 -0.69 -1.32 0.00 0.00 176.35 173.75 3mlx s VAL 109 N 2.33 2.99 -0.23 1.68 1.01 -0.39 -4.29 120.40 123.49 3mlx s VAL 109 Ca 0.50 -0.77 -0.06 0.00 0.00 0.00 0.00 61.98 61.64 3mlx s VAL 109 Cb -0.20 -2.41 -0.03 0.00 0.00 0.00 0.00 36.38 33.75 3mlx s VAL 109 CO 0.17 0.35 0.04 -0.89 0.00 0.00 0.00 175.10 174.77 3mlx s THR 110 N 1.39 4.14 -0.53 3.92 2.01 0.26 -1.92 115.64 124.90 3mlx s THR 110 Ca 0.03 -0.23 -0.19 0.00 0.31 0.00 0.00 61.69 61.61 3mlx s THR 110 Cb -0.15 -2.92 0.07 0.00 0.01 0.00 0.00 72.50 69.51 3mlx s THR 110 CO -0.05 0.37 0.67 -0.69 -0.69 0.00 0.00 174.62 174.23 3mlx s VAL 111 N 1.42 4.83 -0.02 3.82 1.01 -1.26 -0.76 120.40 129.44 3mlx s VAL 111 Ca 0.05 -0.57 -0.29 0.00 0.00 0.00 0.00 61.98 61.17 3mlx s VAL 111 Cb -0.15 -4.36 0.09 0.00 0.00 0.00 0.00 36.38 31.96 3mlx s VAL 111 CO 0.02 -0.91 0.77 -0.55 0.00 0.00 0.00 175.10 174.44 3mlx s SER 112 N 2.94 -0.52 0.53 3.32 0.15 -0.44 -4.45 113.70 115.23 3mlx s SER 112 Ca 0.15 0.35 0.31 0.00 0.70 0.00 0.00 55.95 57.46 3mlx s SER 112 Cb -0.20 0.47 1.23 0.00 -1.71 0.00 0.00 66.02 65.81 3mlx s SER 112 CO 0.11 -0.63 1.93 0.77 1.20 0.00 0.00 173.24 176.62 3mlx h SER 113 N 2.48 0.00 -0.07 5.45 4.64 -1.94 -3.38 113.55 120.73 3mlx h SER 113 Ca -0.26 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.04 3mlx h SER 113 Cb 1.20 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.28 3mlx h SER 113 CO 0.35 0.04 -0.03 0.00 -0.87 0.00 0.00 176.83 176.32 3mlx n ALA 114 N -2.11 -0.02 -1.85 5.18 0.00 -1.26 -4.98 120.51 115.46 3mlx n ALA 114 Ca 0.01 0.02 -0.41 0.00 0.00 0.00 0.00 53.44 53.06 3mlx n ALA 114 Cb 0.34 -0.63 -0.02 0.00 0.00 0.00 0.00 19.45 19.14 3mlx n ALA 114 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3mlx s SER 115 N -2.17 6.57 -0.10 0.00 0.01 -1.26 -4.94 113.70 111.80 3mlx s SER 115 Ca 0.00 2.74 -0.30 0.00 1.31 0.00 0.00 55.95 59.70 3mlx s SER 115 Cb 0.00 -2.62 -0.02 0.00 0.21 0.00 0.00 66.02 63.59 3mlx s SER 115 CO 0.00 -0.77 1.18 -0.89 0.41 0.00 0.00 173.24 173.17 3mlx s THR 116 N 0.12 4.36 -0.08 1.44 2.01 -1.26 -4.70 115.64 117.53 3mlx s THR 116 Ca 0.62 1.66 0.01 0.00 0.31 0.00 0.00 61.69 64.29 3mlx s THR 116 Cb -0.44 -4.07 0.02 0.00 0.01 0.00 0.00 72.50 68.02 3mlx s THR 116 CO 0.43 -0.05 -0.08 -0.75 -0.69 0.00 0.00 174.62 173.49 3mlx s LYS 117 N 2.60 1.34 0.52 4.92 2.20 0.28 -4.97 119.74 126.63 3mlx s LYS 117 Ca 0.54 -0.24 -0.18 0.00 -0.36 0.00 0.00 55.97 55.73 3mlx s LYS 117 Cb -0.22 -1.31 -0.07 0.00 -1.51 0.00 0.00 37.83 34.71 3mlx s LYS 117 CO 0.18 -0.14 1.03 0.20 -0.36 0.00 0.00 175.35 176.26 3mlx s GLY 118 N 1.25 2.32 0.54 5.54 0.00 -1.26 -1.31 107.32 114.40 3mlx s GLY 118 Ca -0.04 0.47 -0.07 0.00 0.00 0.00 0.00 44.72 45.07 3mlx s GLY 118 CO -0.02 0.78 0.88 2.56 0.00 0.00 0.00 173.10 177.29 3mlx s PRO 119 N -3.62 3.39 -0.06 2.90 0.04 -1.26 -4.61 135.00 131.78 3mlx s PRO 119 Ca 0.65 0.29 -0.10 0.00 0.04 0.00 0.00 61.00 61.88 3mlx s PRO 119 Cb -0.15 -2.27 -0.05 0.00 0.04 0.00 0.00 34.50 32.07 3mlx s PRO 119 CO 0.27 -0.43 0.25 -1.12 0.04 0.00 0.00 177.00 176.00 3mlx s SER 120 N -4.18 6.55 -0.24 6.66 0.01 -0.16 -4.90 113.70 117.44 3mlx s SER 120 Ca 0.51 0.65 -0.01 0.00 1.31 0.00 0.00 55.95 58.41 3mlx s SER 120 Cb -0.11 -2.13 0.03 0.00 0.21 0.00 0.00 66.02 64.02 3mlx s SER 120 CO 0.47 0.36 -0.08 -0.69 0.41 0.00 0.00 173.24 173.72 3mlx s VAL 121 N -1.08 2.73 -0.12 3.43 1.01 -1.26 -0.59 120.40 124.51 3mlx s VAL 121 Ca 0.19 -1.08 -0.03 0.00 0.00 0.00 0.00 61.98 61.06 3mlx s VAL 121 Cb -0.14 -2.39 -0.03 0.00 0.00 0.00 0.00 36.38 33.83 3mlx s VAL 121 CO 0.09 0.21 -0.02 -0.36 0.00 0.00 0.00 175.10 175.02 3mlx s PHE 122 N 1.30 3.09 0.19 5.22 0.08 -0.12 -4.95 117.98 122.78 3mlx s PHE 122 Ca -0.00 -0.05 -0.30 0.00 0.12 0.00 0.00 56.93 56.70 3mlx s PHE 122 Cb -0.17 -1.88 -0.08 0.00 -0.57 0.00 0.00 43.02 40.32 3mlx s PHE 122 CO -0.05 0.20 0.96 -1.25 -0.10 0.00 0.00 175.22 174.98 3mlx s PRO 123 N -0.21 4.78 -0.68 0.24 0.04 -1.26 -0.40 135.00 137.51 3mlx s PRO 123 Ca 0.05 1.49 -0.08 0.00 0.04 0.00 0.00 61.00 62.50 3mlx s PRO 123 Cb -0.13 -3.32 0.18 0.00 0.04 0.00 0.00 34.50 31.28 3mlx s PRO 123 CO 0.02 0.37 0.55 -0.51 0.04 0.00 0.00 177.00 177.47 3mlx s LEU 124 N -0.68 5.89 0.47 -3.56 1.43 0.14 -4.89 118.68 117.48 3mlx s LEU 124 Ca 0.44 -2.66 -0.24 0.00 -1.03 0.00 0.00 54.13 50.63 3mlx s LEU 124 Cb -0.25 -2.01 -0.07 0.00 0.03 0.00 0.00 46.19 43.88 3mlx s LEU 124 CO 0.32 -0.49 1.36 0.00 0.23 0.00 0.00 176.35 177.76 3mlx s ALA 125 N 0.22 3.10 0.46 4.21 0.00 -1.26 -1.36 121.76 127.13 3mlx s ALA 125 Ca 0.16 1.33 -0.23 0.00 0.00 0.00 0.00 51.96 53.21 3mlx s ALA 125 Cb -0.17 -3.54 -0.07 0.00 0.00 0.00 0.00 23.12 19.33 3mlx s ALA 125 CO -0.05 -1.12 1.20 -1.25 0.00 0.00 0.00 175.76 174.54 3mlx s PRO 126 N -2.56 3.73 0.88 0.00 0.04 -1.26 -4.89 135.00 130.94 3mlx s PRO 126 Ca 0.63 1.86 -0.13 0.00 0.04 0.00 0.00 61.00 63.40 3mlx s PRO 126 Cb -0.40 -2.44 0.13 0.00 0.04 0.00 0.00 34.50 31.83 3mlx s PRO 126 CO 0.50 -0.60 1.21 -1.54 0.04 0.00 0.00 177.00 176.61 3mlx s SER 127 N -1.24 3.85 0.11 6.66 1.04 -1.26 -4.48 113.70 118.37 3mlx s SER 127 Ca 0.63 0.65 -0.30 0.00 0.48 0.00 0.00 55.95 57.42 3mlx s SER 127 Cb -0.31 -1.02 -0.06 0.00 0.10 0.00 0.00 66.02 64.73 3mlx s SER 127 CO 0.38 -2.31 0.98 -0.44 0.98 0.00 0.00 173.24 172.83 3mlx s SER 128 N -4.57 7.46 -0.17 7.02 0.01 -1.26 -5.01 113.70 117.18 3mlx s SER 128 Ca 0.66 1.81 -0.07 0.00 1.31 0.00 0.00 55.95 59.66 3mlx s SER 128 Cb -0.09 -2.59 0.08 0.00 0.21 0.00 0.00 66.02 63.62 3mlx s SER 128 CO 0.51 -0.10 0.37 -0.54 0.41 0.00 0.00 173.24 173.89 3mlx s LYS 129 N 0.06 0.29 0.22 12.44 1.02 -1.26 -5.17 119.74 127.34 3mlx s LYS 129 Ca 0.48 0.90 -0.01 0.00 0.02 0.00 0.00 55.97 57.35 3mlx s LYS 129 Cb -0.24 0.16 0.05 0.00 -0.52 0.00 0.00 37.83 37.28 3mlx s LYS 129 CO 0.30 -0.24 0.30 -1.13 -0.92 0.00 0.00 175.35 173.66 3mlx n SER 130 N 5.11 0.28 -3.12 2.83 3.41 -1.26 -3.74 113.62 117.13 3mlx n SER 130 Ca -0.12 -1.26 -0.10 0.00 -0.26 0.00 0.00 58.87 57.13 3mlx n SER 130 Cb 0.51 -0.21 0.01 0.00 -0.26 0.00 0.00 64.21 64.26 3mlx n SER 130 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3mlx n THR 131 N -1.99 -9.08 0.00 6.66 -1.04 -1.26 -2.02 114.28 105.55 3mlx n THR 131 Ca 0.05 0.22 0.00 0.00 -2.04 0.00 0.00 64.05 62.28 3mlx n THR 131 Cb 0.16 -6.26 0.00 0.00 -1.82 0.00 0.00 70.33 62.41 3mlx n THR 131 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 3mlx n SER 132 N -1.20 0.00 0.00 8.00 7.64 -1.26 -3.61 113.62 123.19 3mlx n SER 132 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.87 3mlx n SER 132 Cb 0.53 -1.09 0.00 0.00 -1.01 0.00 0.00 64.21 62.64 3mlx n SER 132 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3mlx n GLY 133 N -1.96 1.81 7.00 0.23 0.00 -0.85 -4.38 105.19 107.04 3mlx n GLY 133 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3mlx n GLY 133 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mlx n GLY 134 N -1.57 2.42 3.68 -0.02 0.00 -1.24 -4.55 105.19 103.92 3mlx n GLY 134 Ca 0.00 0.34 -0.31 0.00 0.00 0.00 0.00 46.02 46.05 3mlx n GLY 134 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3mlx s THR 135 N 0.00 4.00 -0.00 2.61 2.01 -1.26 -1.41 115.64 121.58 3mlx s THR 135 Ca 0.00 -0.94 0.05 0.00 0.31 0.00 0.00 61.69 61.11 3mlx s THR 135 Cb 0.00 -2.88 -0.01 0.00 0.01 0.00 0.00 72.50 69.62 3mlx s THR 135 CO 0.00 0.17 -0.16 0.00 -0.69 0.00 0.00 174.62 173.93 3mlx s ALA 136 N -1.26 1.37 -0.19 7.40 0.00 0.56 -4.82 121.76 124.81 3mlx s ALA 136 Ca 0.24 -0.74 -0.02 0.00 0.00 0.00 0.00 51.96 51.44 3mlx s ALA 136 Cb -0.12 -0.33 -0.01 0.00 0.00 0.00 0.00 23.12 22.67 3mlx s ALA 136 CO 0.17 0.33 -0.09 0.00 0.00 0.00 0.00 175.76 176.17 3mlx s ALA 137 N -0.45 2.70 0.20 0.00 0.00 -1.26 -0.39 121.76 122.55 3mlx s ALA 137 Ca 0.06 -1.12 0.10 0.00 0.00 0.00 0.00 51.96 51.00 3mlx s ALA 137 Cb -0.07 -1.52 -0.04 0.00 0.00 0.00 0.00 23.12 21.49 3mlx s ALA 137 CO -0.00 -0.27 -0.19 -0.51 0.00 0.00 0.00 175.76 174.78 3mlx s LEU 138 N 1.21 2.48 0.00 0.00 1.02 -0.72 -4.00 118.68 118.67 3mlx s LEU 138 Ca 0.02 -0.91 -0.07 0.00 0.02 0.00 0.00 54.13 53.19 3mlx s LEU 138 Cb -0.14 -0.94 0.03 0.00 0.02 0.00 0.00 46.19 45.16 3mlx s LEU 138 CO -0.03 -0.00 0.41 0.61 0.02 0.00 0.00 176.35 177.36 3mlx n GLY 139 N 0.06 1.58 2.84 -3.19 0.00 -0.46 -0.05 105.19 105.96 3mlx n GLY 139 Ca -0.11 -1.19 -0.14 0.00 0.00 0.00 0.00 46.02 44.58 3mlx n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mlx s LEU 141 N 0.52 4.20 -0.75 0.00 2.96 0.47 -1.75 118.68 124.33 3mlx s LEU 141 Ca -0.05 -0.36 -0.14 0.00 -0.22 0.00 0.00 54.13 53.36 3mlx s LEU 141 Cb -0.07 -2.07 0.20 0.00 0.50 0.00 0.00 46.19 44.75 3mlx s LEU 141 CO -0.01 -0.17 0.69 -0.69 -1.32 0.00 0.00 176.35 174.85 3mlx s VAL 142 N 1.68 5.48 -0.06 1.68 1.01 0.47 -0.95 120.40 129.72 3mlx s VAL 142 Ca 0.06 -2.23 -0.12 0.00 0.00 0.00 0.00 61.98 59.69 3mlx s VAL 142 Cb -0.17 -4.42 -0.05 0.00 0.00 0.00 0.00 36.38 31.74 3mlx s VAL 142 CO 0.09 -0.99 0.29 -0.75 0.00 0.00 0.00 175.10 173.74 3mlx s LYS 143 N 0.52 3.77 -0.76 2.72 2.20 0.24 -1.51 119.74 126.92 3mlx s LYS 143 Ca 0.14 0.17 -0.03 0.00 -0.36 0.00 0.00 55.97 55.90 3mlx s LYS 143 Cb -0.15 -3.23 0.00 0.00 -1.51 0.00 0.00 37.83 32.94 3mlx s LYS 143 CO -0.06 0.68 0.65 -0.25 -0.36 0.00 0.00 175.35 176.01 3mlx n ASP 144 N 2.05 -6.22 -4.41 1.43 8.00 -0.58 -0.98 116.55 115.84 3mlx n ASP 144 Ca -0.16 -0.50 -0.21 0.00 0.71 0.00 0.00 54.79 54.63 3mlx n ASP 144 Cb 0.53 -3.32 -0.10 0.00 -0.02 0.00 0.00 41.12 38.21 3mlx n ASP 144 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 3mlx s TYR 145 N -2.91 1.97 -0.28 1.24 -0.85 0.14 -4.35 117.35 112.31 3mlx s TYR 145 Ca 0.03 -0.55 -0.21 0.00 -0.52 0.00 0.00 57.07 55.82 3mlx s TYR 145 Cb -0.00 -0.98 0.09 0.00 0.38 0.00 0.00 41.96 41.44 3mlx s TYR 145 CO 0.83 0.43 0.76 0.12 -1.52 0.00 0.00 175.55 176.18 3mlx s PHE 146 N -2.85 -0.85 0.03 -3.49 2.19 -0.43 -0.42 117.98 112.15 3mlx s PHE 146 Ca 0.27 1.87 0.00 0.00 0.33 0.00 0.00 56.93 59.41 3mlx s PHE 146 Cb -0.00 0.44 0.00 0.00 -1.31 0.00 0.00 43.02 42.15 3mlx s PHE 146 CO 0.11 -0.42 0.04 -0.35 1.83 0.00 0.00 175.22 176.43 3mlx n PRO 147 N 3.40 0.84 -1.27 10.12 -0.04 -1.26 -0.56 135.00 146.23 3mlx n PRO 147 Ca -0.17 -0.12 -0.31 0.00 -0.04 0.00 0.00 63.50 62.86 3mlx n PRO 147 Cb 0.57 -0.02 0.09 0.00 -0.04 0.00 0.00 33.50 34.11 3mlx n PRO 147 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3mlx s GLU 148 N -2.24 2.23 0.53 0.54 0.41 -1.26 -4.79 118.70 114.12 3mlx s GLU 148 Ca 0.03 1.20 0.05 0.00 -0.41 0.00 0.00 54.97 55.84 3mlx s GLU 148 Cb -0.00 -1.89 0.05 0.00 -1.78 0.00 0.00 34.13 30.50 3mlx s GLU 148 CO 0.02 -1.67 0.40 -0.35 -0.49 0.00 0.00 175.26 173.17 3mlx n PRO 149 N -3.48 0.70 -4.07 0.39 -0.04 -1.26 -4.98 135.00 122.26 3mlx n PRO 149 Ca 0.09 -3.32 -0.14 0.00 -0.04 0.00 0.00 63.50 60.09 3mlx n PRO 149 Cb 0.53 0.35 -0.13 0.00 -0.04 0.00 0.00 33.50 34.20 3mlx n PRO 149 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3mlx s VAL 150 N -2.64 0.37 0.13 0.52 1.01 -1.26 -4.41 120.40 114.11 3mlx s VAL 150 Ca 0.31 -0.52 0.09 0.00 0.00 0.00 0.00 61.98 61.86 3mlx s VAL 150 Cb -0.02 -0.38 -0.04 0.00 0.00 0.00 0.00 36.38 35.94 3mlx s VAL 150 CO 0.19 -0.11 -0.20 0.42 0.00 0.00 0.00 175.10 175.41 3mlx s THR 151 N -0.61 2.72 -0.03 3.92 -4.23 -0.63 -5.00 115.64 111.79 3mlx s THR 151 Ca -0.04 -1.59 -0.01 0.00 -1.18 0.00 0.00 61.69 58.87 3mlx s THR 151 Cb -0.05 -2.25 0.03 0.00 1.34 0.00 0.00 72.50 71.56 3mlx s THR 151 CO -0.00 0.07 0.05 -0.69 -0.54 0.00 0.00 174.62 173.51 3mlx s VAL 152 N -1.19 -0.04 0.23 2.29 1.01 -1.26 -1.88 120.40 119.55 3mlx s VAL 152 Ca 0.18 0.16 0.02 0.00 0.00 0.00 0.00 61.98 62.34 3mlx s VAL 152 Cb -0.10 -0.10 -0.05 0.00 0.00 0.00 0.00 36.38 36.13 3mlx s VAL 152 CO 0.10 0.07 0.04 -0.94 0.00 0.00 0.00 175.10 174.36 3mlx s SER 153 N 0.85 1.52 -0.05 3.32 1.04 -0.61 -4.96 113.70 114.81 3mlx s SER 153 Ca -0.07 -1.27 0.05 0.00 0.48 0.00 0.00 55.95 55.13 3mlx s SER 153 Cb -0.10 0.08 -0.00 0.00 0.10 0.00 0.00 66.02 66.09 3mlx s SER 153 CO -0.03 -0.60 -0.20 0.26 0.98 0.00 0.00 173.24 173.65 3mlx s TRP 154 N -3.57 2.01 -1.44 5.02 0.52 -1.26 0.12 118.94 120.34 3mlx s TRP 154 Ca 0.31 -0.61 -0.04 0.00 0.02 0.00 0.00 56.10 55.78 3mlx s TRP 154 Cb 0.07 -1.34 0.03 0.00 -1.15 0.00 0.00 33.47 31.07 3mlx s TRP 154 CO 0.10 -0.20 0.58 0.09 0.02 0.00 0.00 176.95 177.53 3mlx n ASN 155 N 3.12 -1.30 -1.83 2.95 4.13 0.69 -1.15 115.26 121.87 3mlx n ASN 155 Ca -0.18 -0.95 -0.20 0.00 1.68 0.00 0.00 54.58 54.93 3mlx n ASN 155 Cb 0.53 -3.31 -0.06 0.00 -1.54 0.00 0.00 39.78 35.39 3mlx n ASN 155 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 3mlx n SER 156 N -2.95 -5.37 0.00 6.41 7.64 -1.26 -1.36 113.62 116.73 3mlx n SER 156 Ca -0.23 0.34 0.00 0.00 1.01 0.00 0.00 58.87 60.00 3mlx n SER 156 Cb 0.64 -4.67 0.00 0.00 -1.01 0.00 0.00 64.21 59.17 3mlx n SER 156 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3mlx n GLY 157 N -0.56 0.58 0.26 0.23 0.00 -0.30 -4.92 105.19 100.47 3mlx n GLY 157 Ca -0.21 0.00 0.14 0.00 0.00 0.00 0.00 46.02 45.95 3mlx n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mlx h ALA 158 N 0.00 1.04 -3.21 4.61 0.00 -1.18 -3.39 119.26 117.12 3mlx h ALA 158 Ca 0.00 -0.09 -0.69 0.00 0.00 0.00 0.00 54.91 54.12 3mlx h ALA 158 Cb 0.00 -0.02 -0.30 0.00 0.00 0.00 0.00 17.79 17.48 3mlx h ALA 158 CO 0.00 0.13 -0.62 -1.17 0.00 0.00 0.00 179.25 177.59 3mlx s LEU 159 N -6.53 4.32 0.00 0.00 2.96 -1.14 -4.89 118.68 113.39 3mlx s LEU 159 Ca 0.00 -1.23 0.00 0.00 -0.22 0.00 0.00 54.13 52.68 3mlx s LEU 159 Cb 0.10 -1.84 0.00 0.00 0.50 0.00 0.00 46.19 44.95 3mlx s LEU 159 CO 0.58 -0.33 0.00 0.35 -1.32 0.00 0.00 176.35 175.63 3mlx n THR 160 N 4.77 0.00 -2.33 3.68 -2.24 -1.26 -4.33 114.28 112.56 3mlx n THR 160 Ca -0.12 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.24 3mlx n THR 160 Cb 0.44 -0.85 -0.03 0.00 -2.10 0.00 0.00 70.33 67.79 3mlx n THR 160 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3mlx s SER 161 N -3.02 6.97 0.00 3.42 0.15 -1.26 -2.69 113.70 117.26 3mlx s SER 161 Ca 0.00 2.07 0.00 0.00 0.70 0.00 0.00 55.95 58.72 3mlx s SER 161 Cb 0.00 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.74 3mlx s SER 161 CO 0.00 -0.58 0.00 0.61 1.20 0.00 0.00 173.24 174.47 3mlx n GLY 162 N 3.39 0.78 3.80 9.45 0.00 -1.26 -4.75 105.19 116.60 3mlx n GLY 162 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 3mlx n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mlx s VAL 163 N -2.93 4.82 -0.22 1.61 1.01 -1.10 -0.97 120.40 122.63 3mlx s VAL 163 Ca 0.00 1.18 -0.03 0.00 0.00 0.00 0.00 61.98 63.12 3mlx s VAL 163 Cb 0.00 -3.88 0.11 0.00 0.00 0.00 0.00 36.38 32.60 3mlx s VAL 163 CO 0.00 0.52 0.26 -2.28 0.00 0.00 0.00 175.10 173.60 3mlx s HIS 164 N -0.83 -0.42 -0.21 5.22 2.46 0.03 -5.01 115.29 116.53 3mlx s HIS 164 Ca 0.29 0.33 -0.09 0.00 0.47 0.00 0.00 55.06 56.06 3mlx s HIS 164 Cb -0.19 -0.28 -0.04 0.00 -0.13 0.00 0.00 32.58 31.94 3mlx s HIS 164 CO 0.18 -0.66 0.10 0.99 -2.47 0.00 0.00 174.74 172.88 3mlx s THR 165 N 2.38 4.97 0.10 0.89 2.01 -1.26 -1.30 115.64 123.44 3mlx s THR 165 Ca 0.09 0.04 -0.08 0.00 0.31 0.00 0.00 61.69 62.05 3mlx s THR 165 Cb -0.16 -3.28 -0.06 0.00 0.01 0.00 0.00 72.50 69.01 3mlx s THR 165 CO -0.15 0.40 0.39 -0.36 -0.69 0.00 0.00 174.62 174.21 3mlx s PHE 166 N 0.78 3.54 0.67 4.92 0.40 -0.48 -5.01 117.98 122.79 3mlx s PHE 166 Ca 0.05 0.69 -0.17 0.00 -0.60 0.00 0.00 56.93 56.91 3mlx s PHE 166 Cb -0.13 -2.10 -0.01 0.00 0.51 0.00 0.00 43.02 41.29 3mlx s PHE 166 CO 0.02 0.49 1.05 -2.30 0.70 0.00 0.00 175.22 175.17 3mlx n PRO 167 N 0.59 0.77 -1.63 0.24 -0.02 -1.26 -4.31 135.00 129.38 3mlx n PRO 167 Ca -0.06 0.32 -0.31 0.00 -2.02 0.00 0.00 63.50 61.43 3mlx n PRO 167 Cb 0.52 -2.28 0.04 0.00 -0.02 0.00 0.00 33.50 31.76 3mlx n PRO 167 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3mlx s ALA 168 N -1.61 2.76 -0.07 3.55 0.00 -1.26 -4.76 121.76 120.36 3mlx s ALA 168 Ca 0.77 0.06 -0.01 0.00 0.00 0.00 0.00 51.96 52.78 3mlx s ALA 168 Cb -0.38 -3.16 -0.03 0.00 0.00 0.00 0.00 23.12 19.55 3mlx s ALA 168 CO 0.46 -1.12 -0.00 0.54 0.00 0.00 0.00 175.76 175.64 3mlx s VAL 169 N -3.05 4.25 -0.40 0.00 0.11 0.48 -4.94 120.40 116.85 3mlx s VAL 169 Ca 0.58 -0.33 -0.15 0.00 -2.93 0.00 0.00 61.98 59.15 3mlx s VAL 169 Cb -0.14 -2.81 0.01 0.00 -1.53 0.00 0.00 36.38 31.92 3mlx s VAL 169 CO 0.54 0.56 0.30 -0.22 -3.33 0.00 0.00 175.10 172.96 3mlx s LEU 170 N -1.02 5.00 0.66 2.54 2.96 -1.26 -2.18 118.68 125.38 3mlx s LEU 170 Ca 0.15 -0.80 -0.10 0.00 -0.22 0.00 0.00 54.13 53.15 3mlx s LEU 170 Cb -0.11 -2.18 0.00 0.00 0.50 0.00 0.00 46.19 44.40 3mlx s LEU 170 CO 0.04 -0.43 1.04 -1.10 -1.32 0.00 0.00 176.35 174.58 3mlx s GLN 171 N 1.72 3.00 0.17 1.98 -0.21 -0.71 -4.94 119.66 120.67 3mlx s GLN 171 Ca 0.06 0.40 0.14 0.00 0.02 0.00 0.00 55.36 55.98 3mlx s GLN 171 Cb -0.19 -2.09 0.70 0.00 1.00 0.00 0.00 33.01 32.44 3mlx s GLN 171 CO 0.10 -0.88 1.44 -1.13 -2.12 0.00 0.00 175.29 172.71 3mlx n SER 172 N -2.86 0.33 0.00 5.90 3.41 -1.26 -0.63 113.62 118.51 3mlx n SER 172 Ca 0.06 0.63 0.13 0.00 -0.26 0.00 0.00 58.87 59.43 3mlx n SER 172 Cb 0.57 -0.68 0.51 0.00 -0.26 0.00 0.00 64.21 64.35 3mlx n SER 172 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3mlx n SER 173 N -1.92 0.15 0.00 4.04 3.41 -1.26 -4.62 113.62 113.42 3mlx n SER 173 Ca 0.00 0.29 0.00 0.00 -0.26 0.00 0.00 58.87 58.91 3mlx n SER 173 Cb 0.08 -0.29 0.00 0.00 -0.26 0.00 0.00 64.21 63.74 3mlx n SER 173 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3mlx n GLY 174 N 1.50 0.78 3.79 5.00 0.00 0.20 -5.03 105.19 111.43 3mlx n GLY 174 Ca 0.07 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.83 3mlx n GLY 174 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mlx s LEU 175 N 0.00 3.77 0.26 0.99 1.43 -1.26 -4.88 118.68 118.99 3mlx s LEU 175 Ca 0.00 -0.17 0.03 0.00 -1.03 0.00 0.00 54.13 52.96 3mlx s LEU 175 Cb 0.00 -2.37 -0.03 0.00 0.03 0.00 0.00 46.19 43.82 3mlx s LEU 175 CO 0.00 0.05 0.41 -0.31 0.23 0.00 0.00 176.35 176.73 3mlx s TYR 176 N -1.82 3.47 -0.14 0.29 1.51 0.44 -1.74 117.35 119.36 3mlx s TYR 176 Ca 0.31 0.12 -0.13 0.00 -1.01 0.00 0.00 57.07 56.36 3mlx s TYR 176 Cb -0.10 -1.69 0.04 0.00 -0.11 0.00 0.00 41.96 40.10 3mlx s TYR 176 CO 0.23 0.35 0.36 -1.12 -1.11 0.00 0.00 175.55 174.27 3mlx s SER 177 N -3.90 -0.38 0.16 2.29 0.01 -0.93 -0.68 113.70 110.27 3mlx s SER 177 Ca 0.36 0.73 -0.06 0.00 1.31 0.00 0.00 55.95 58.28 3mlx s SER 177 Cb -0.09 0.74 -0.02 0.00 0.21 0.00 0.00 66.02 66.86 3mlx s SER 177 CO 0.31 -0.13 0.22 -1.48 0.41 0.00 0.00 173.24 172.56 3mlx s LEU 178 N 0.17 1.18 0.07 2.44 0.05 -0.57 -0.39 118.68 121.63 3mlx s LEU 178 Ca -0.00 -1.00 0.02 0.00 0.05 0.00 0.00 54.13 53.19 3mlx s LEU 178 Cb -0.03 0.91 -0.03 0.00 -2.05 0.00 0.00 46.19 44.99 3mlx s LEU 178 CO 0.01 -0.85 -0.07 -0.44 -0.55 0.00 0.00 176.35 174.44 3mlx s SER 179 N -3.00 0.98 -0.01 1.48 0.01 -1.26 -0.39 113.70 111.50 3mlx s SER 179 Ca 0.21 -0.77 0.02 0.00 1.31 0.00 0.00 55.95 56.72 3mlx s SER 179 Cb 0.05 0.07 -0.00 0.00 0.21 0.00 0.00 66.02 66.34 3mlx s SER 179 CO 0.02 -0.33 -0.07 -0.55 0.41 0.00 0.00 173.24 172.71 3mlx s SER 180 N -2.30 0.93 0.05 2.44 0.15 -0.71 -1.39 113.70 112.87 3mlx s SER 180 Ca 0.01 -0.14 0.04 0.00 0.70 0.00 0.00 55.95 56.56 3mlx s SER 180 Cb -0.02 -0.16 -0.02 0.00 -1.71 0.00 0.00 66.02 64.10 3mlx s SER 180 CO -0.02 0.07 -0.13 -0.69 1.20 0.00 0.00 173.24 173.68 3mlx s VAL 181 N -0.02 0.98 -0.05 4.45 1.01 -0.42 -0.54 120.40 125.81 3mlx s VAL 181 Ca 0.01 -1.05 0.03 0.00 0.00 0.00 0.00 61.98 60.96 3mlx s VAL 181 Cb -0.05 -0.92 0.01 0.00 0.00 0.00 0.00 36.38 35.42 3mlx s VAL 181 CO -0.00 -0.12 -0.11 0.54 0.00 0.00 0.00 175.10 175.41 3mlx s VAL 182 N -1.01 1.03 -0.26 2.92 0.11 0.92 -0.79 120.40 123.32 3mlx s VAL 182 Ca -0.01 -0.45 -0.10 0.00 -2.93 0.00 0.00 61.98 58.48 3mlx s VAL 182 Cb -0.08 -0.93 -0.05 0.00 -1.53 0.00 0.00 36.38 33.79 3mlx s VAL 182 CO 0.01 0.32 0.17 -0.89 -3.33 0.00 0.00 175.10 171.38 3mlx s THR 183 N 0.44 5.26 0.15 5.04 2.01 -0.14 -1.75 115.64 126.65 3mlx s THR 183 Ca -0.09 0.15 0.03 0.00 0.31 0.00 0.00 61.69 62.09 3mlx s THR 183 Cb -0.13 -3.48 -0.05 0.00 0.01 0.00 0.00 72.50 68.86 3mlx s THR 183 CO 0.02 0.30 -0.07 0.68 -0.69 0.00 0.00 174.62 174.87 3mlx s VAL 184 N 1.42 1.00 0.38 3.82 -7.23 0.47 -4.60 120.40 115.66 3mlx s VAL 184 Ca 0.07 -2.02 -0.27 0.00 -1.81 0.00 0.00 61.98 57.95 3mlx s VAL 184 Cb -0.15 -1.93 -0.09 0.00 0.56 0.00 0.00 36.38 34.77 3mlx s VAL 184 CO 0.08 -0.67 1.29 -2.16 -0.31 0.00 0.00 175.10 173.33 3mlx s PRO 185 N -3.80 4.11 0.14 4.82 0.04 -1.26 -0.32 135.00 138.72 3mlx s PRO 185 Ca 0.19 2.15 -0.09 0.00 0.04 0.00 0.00 61.00 63.28 3mlx s PRO 185 Cb 0.04 -2.85 -0.06 0.00 0.04 0.00 0.00 34.50 31.67 3mlx s PRO 185 CO 0.01 -0.37 1.40 0.77 0.04 0.00 0.00 177.00 178.85 3mlx h SER 186 N 2.91 0.86 -1.42 6.66 0.02 -1.51 -3.32 113.55 117.74 3mlx h SER 186 Ca -0.49 -0.50 0.42 0.00 -0.84 0.00 0.00 61.79 60.38 3mlx h SER 186 Cb 1.24 -0.25 -0.08 0.00 0.14 0.00 0.00 62.40 63.44 3mlx h SER 186 CO 0.63 1.28 0.98 0.77 -1.14 0.00 0.00 176.83 179.36 3mlx h SER 187 N 0.55 0.13 -0.39 3.07 4.64 -1.80 -1.03 113.55 118.73 3mlx h SER 187 Ca -0.01 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3mlx h SER 187 Cb 1.23 0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 3mlx h SER 187 CO 0.13 -0.04 0.00 -1.54 -0.87 0.00 0.00 176.83 174.51 3mlx n SER 188 N -4.32 4.16 0.12 4.97 3.41 -1.25 -4.52 113.62 116.19 3mlx n SER 188 Ca 0.34 -2.73 0.08 0.00 -0.26 0.00 0.00 58.87 56.30 3mlx n SER 188 Cb 1.46 -0.52 0.45 0.00 -0.26 0.00 0.00 64.21 65.34 3mlx n SER 188 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3mlx n LEU 189 N 0.11 0.43 -0.01 1.04 4.77 -0.39 -0.82 117.00 122.14 3mlx n LEU 189 Ca 0.21 0.70 0.09 0.00 -0.03 0.00 0.00 56.01 56.98 3mlx n LEU 189 Cb 0.86 -0.74 -0.13 0.00 -2.33 0.00 0.00 43.42 41.07 3mlx n LEU 189 CO 0.18 -0.83 -0.51 0.61 -1.33 0.00 0.00 177.39 175.51 3mlx n GLY 190 N -1.28 -0.80 0.15 -0.72 0.00 -1.26 -4.51 105.19 96.77 3mlx n GLY 190 Ca -0.01 -0.46 0.06 0.00 0.00 0.00 0.00 46.02 45.60 3mlx n GLY 190 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3mlx n THR 191 N -1.92 0.00 -4.41 2.61 -2.24 -0.33 -4.94 114.28 103.05 3mlx n THR 191 Ca -0.01 -0.32 -0.29 0.00 -2.27 0.00 0.00 64.05 61.15 3mlx n THR 191 Cb 0.42 1.08 -0.17 0.00 -2.10 0.00 0.00 70.33 69.56 3mlx n THR 191 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 3mlx s GLN 192 N -1.74 2.36 0.14 -0.78 2.00 0.00 -5.11 119.66 116.54 3mlx s GLN 192 Ca 0.07 -0.61 -0.24 0.00 -2.00 0.00 0.00 55.36 52.59 3mlx s GLN 192 Cb 0.09 -2.02 -0.08 0.00 0.80 0.00 0.00 33.01 31.81 3mlx s GLN 192 CO 0.36 -0.09 0.73 0.99 -0.50 0.00 0.00 175.29 176.78 3mlx s THR 193 N 1.06 4.46 -0.11 -0.34 2.01 -1.26 -4.76 115.64 116.69 3mlx s THR 193 Ca -0.04 1.60 0.02 0.00 0.31 0.00 0.00 61.69 63.57 3mlx s THR 193 Cb -0.15 -4.09 -0.01 0.00 0.01 0.00 0.00 72.50 68.27 3mlx s THR 193 CO -0.03 0.52 -0.17 -0.31 -0.69 0.00 0.00 174.62 173.94 3mlx s TYR 194 N -1.09 2.70 -0.05 4.92 1.51 -1.26 -4.96 117.35 119.11 3mlx s TYR 194 Ca 0.34 -0.77 0.02 0.00 -1.01 0.00 0.00 57.07 55.65 3mlx s TYR 194 Cb -0.22 -1.78 0.02 0.00 -0.11 0.00 0.00 41.96 39.87 3mlx s TYR 194 CO 0.25 -0.27 -0.08 0.42 -1.11 0.00 0.00 175.55 174.76 3mlx s ILE 195 N 0.27 0.77 -0.23 2.71 -1.09 -1.26 -1.40 121.20 120.97 3mlx s ILE 195 Ca -0.12 -0.27 -0.09 0.00 -2.23 0.00 0.00 60.65 57.94 3mlx s ILE 195 Cb -0.16 -0.75 -0.04 0.00 -1.58 0.00 0.00 42.46 39.93 3mlx s ILE 195 CO 0.07 0.27 0.12 0.00 -1.23 0.00 0.00 174.94 174.17 3mlx s ASN 197 N 1.14 6.20 -0.16 0.00 -0.87 0.12 -1.92 114.94 119.46 3mlx s ASN 197 Ca 0.06 -0.84 -0.06 0.00 -1.57 0.00 0.00 52.86 50.45 3mlx s ASN 197 Cb -0.14 -2.24 -0.04 0.00 -0.02 0.00 0.00 41.25 38.81 3mlx s ASN 197 CO 0.04 -0.70 0.06 -0.69 -2.57 0.00 0.00 177.10 173.24 3mlx s VAL 198 N 2.25 4.75 -0.07 1.60 1.01 0.52 -1.57 120.40 128.89 3mlx s VAL 198 Ca 0.12 -0.06 -0.01 0.00 0.00 0.00 0.00 61.98 62.03 3mlx s VAL 198 Cb -0.19 -3.10 0.03 0.00 0.00 0.00 0.00 36.38 33.12 3mlx s VAL 198 CO 0.12 0.51 0.00 0.21 0.00 0.00 0.00 175.10 175.94 3mlx s ASN 199 N -0.04 1.55 -0.61 3.32 3.04 -0.79 -0.90 114.94 120.52 3mlx s ASN 199 Ca 0.06 -0.08 -0.02 0.00 0.04 0.00 0.00 52.86 52.87 3mlx s ASN 199 Cb -0.12 -0.43 0.16 0.00 -1.54 0.00 0.00 41.25 39.32 3mlx s ASN 199 CO 0.01 -0.19 0.41 -2.28 -3.04 0.00 0.00 177.10 172.01 3mlx s HIS 200 N 1.97 3.37 0.25 0.43 5.65 0.27 -1.60 115.29 125.62 3mlx s HIS 200 Ca 0.05 -2.81 -0.03 0.00 0.25 0.00 0.00 55.06 52.51 3mlx s HIS 200 Cb -0.12 -3.13 0.44 0.00 -1.18 0.00 0.00 32.58 28.59 3mlx s HIS 200 CO -0.05 -0.82 1.78 0.87 -0.65 0.00 0.00 174.74 175.87 3mlx h LYS 201 N 6.91 0.66 -0.45 2.88 1.57 -1.81 -1.88 116.57 124.46 3mlx h LYS 201 Ca -0.02 -0.04 0.10 0.00 -1.87 0.00 0.00 60.65 58.82 3mlx h LYS 201 Cb 0.94 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 33.08 3mlx h LYS 201 CO 0.71 0.44 0.31 -1.00 -0.57 0.00 0.00 179.45 179.34 3mlx h PRO 202 N 0.68 0.13 -0.11 3.15 0.13 -1.92 -1.69 132.00 132.38 3mlx h PRO 202 Ca 0.41 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.54 3mlx h PRO 202 Cb 0.48 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.58 3mlx h PRO 202 CO -0.30 0.09 0.00 -1.13 -0.23 0.00 0.00 178.00 176.43 3mlx n SER 203 N -4.44 2.56 -2.64 1.44 3.41 -1.04 -4.96 113.62 107.95 3mlx n SER 203 Ca 0.07 -1.75 -0.22 0.00 -0.26 0.00 0.00 58.87 56.72 3mlx n SER 203 Cb 0.43 -0.06 0.01 0.00 -0.26 0.00 0.00 64.21 64.32 3mlx n SER 203 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3mlx n ASN 204 N 0.94 -6.02 -4.62 4.04 5.03 -0.64 -4.93 115.26 109.08 3mlx n ASN 204 Ca 0.11 -0.12 -0.40 0.00 0.87 0.00 0.00 54.58 55.04 3mlx n ASN 204 Cb 0.43 -4.95 -0.07 0.00 -1.02 0.00 0.00 39.78 34.17 3mlx n ASN 204 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 3mlx s THR 205 N -3.10 5.02 -0.10 3.41 2.01 -0.83 -4.97 115.64 117.09 3mlx s THR 205 Ca 0.12 0.94 0.01 0.00 0.31 0.00 0.00 61.69 63.06 3mlx s THR 205 Cb -0.05 -3.89 0.02 0.00 0.01 0.00 0.00 72.50 68.59 3mlx s THR 205 CO 0.15 0.03 -0.11 -0.54 -0.69 0.00 0.00 174.62 173.46 3mlx s LYS 206 N 2.41 1.72 -0.03 4.92 1.02 -1.26 -0.57 119.74 127.95 3mlx s LYS 206 Ca 0.23 -0.37 0.02 0.00 0.02 0.00 0.00 55.97 55.87 3mlx s LYS 206 Cb -0.15 -1.59 0.01 0.00 -0.52 0.00 0.00 37.83 35.58 3mlx s LYS 206 CO 0.09 -0.14 -0.06 0.08 -0.92 0.00 0.00 175.35 174.41 3mlx s VAL 207 N 1.24 0.60 -0.50 3.17 1.01 -0.08 -5.00 120.40 120.84 3mlx s VAL 207 Ca -0.03 -0.22 -0.01 0.00 0.00 0.00 0.00 61.98 61.72 3mlx s VAL 207 Cb -0.14 -0.58 0.13 0.00 0.00 0.00 0.00 36.38 35.79 3mlx s VAL 207 CO -0.03 0.22 0.29 -1.81 0.00 0.00 0.00 175.10 173.76 3mlx s ASP 208 N 0.53 5.08 -0.23 3.32 1.01 -1.26 -0.36 116.67 124.76 3mlx s ASP 208 Ca -0.07 -2.49 -0.14 0.00 0.71 0.00 0.00 52.55 50.56 3mlx s ASP 208 Cb -0.11 -1.79 -0.04 0.00 1.01 0.00 0.00 42.92 41.99 3mlx s ASP 208 CO 0.00 -0.42 0.34 -0.75 0.21 0.00 0.00 175.17 174.56 3mlx s LYS 209 N 0.47 4.09 0.07 8.23 2.47 -0.81 -4.89 119.74 129.37 3mlx s LYS 209 Ca 0.13 0.05 -0.30 0.00 -1.56 0.00 0.00 55.97 54.29 3mlx s LYS 209 Cb -0.22 -3.58 -0.05 0.00 -1.46 0.00 0.00 37.83 32.52 3mlx s LYS 209 CO -0.04 -0.11 1.00 0.21 0.16 0.00 0.00 175.35 176.57 3mlx s LYS 210 N 1.55 4.61 -0.23 4.03 2.20 -1.26 -1.44 119.74 129.21 3mlx s LYS 210 Ca 0.15 1.49 0.00 0.00 -0.36 0.00 0.00 55.97 57.25 3mlx s LYS 210 Cb -0.15 -3.40 0.03 0.00 -1.51 0.00 0.00 37.83 32.80 3mlx s LYS 210 CO 0.08 0.05 -0.12 0.08 -0.36 0.00 0.00 175.35 175.09 3mlx s VAL 211 N 0.48 2.44 0.09 4.02 1.01 -0.49 -4.85 120.40 123.10 3mlx s VAL 211 Ca 0.50 -1.14 0.05 0.00 0.00 0.00 0.00 61.98 61.39 3mlx s VAL 211 Cb -0.23 -2.22 -0.03 0.00 0.00 0.00 0.00 36.38 33.89 3mlx s VAL 211 CO 0.29 0.26 -0.12 -1.83 0.00 0.00 0.00 175.10 173.70 3mlx s GLU 212 N 1.26 0.85 0.68 2.72 -1.05 -1.26 -4.32 118.70 117.59 3mlx s GLU 212 Ca -0.00 -1.07 -0.17 0.00 -0.15 0.00 0.00 54.97 53.58 3mlx s GLU 212 Cb -0.16 -0.71 0.01 0.00 -0.44 0.00 0.00 34.13 32.83 3mlx s GLU 212 CO -0.07 0.14 1.23 -1.25 0.95 0.00 0.00 175.26 176.25 3mlx s PRO 213 N -2.30 2.43 0.00 -4.83 0.04 -1.26 -4.59 135.00 124.49 3mlx s PRO 213 Ca 0.02 1.84 0.25 0.00 0.04 0.00 0.00 61.00 63.15 3mlx s PRO 213 Cb -0.06 -1.86 0.41 0.00 0.04 0.00 0.00 34.50 33.02 3mlx s PRO 213 CO 0.02 -1.63 1.38 1.63 0.04 0.00 0.00 177.00 178.44