#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mlx h VAL 3 N 0.00 1.15 -3.04 -3.33 2.07 -1.95 -3.41 116.25 107.73 3mlx h VAL 3 Ca 0.00 -0.42 -0.65 0.00 0.82 0.00 0.00 66.70 66.45 3mlx h VAL 3 Cb 0.00 0.97 -0.12 0.00 -1.52 0.00 0.00 31.29 30.63 3mlx h VAL 3 CO 0.00 0.15 -0.54 -0.76 0.02 0.00 0.00 177.57 176.44 3mlx s LEU 4 N -9.90 4.03 -0.06 2.57 1.43 -1.26 -4.63 118.68 110.86 3mlx s LEU 4 Ca -0.13 0.27 0.06 0.00 -1.03 0.00 0.00 54.13 53.29 3mlx s LEU 4 Cb 0.08 -1.99 -0.01 0.00 0.03 0.00 0.00 46.19 44.30 3mlx s LEU 4 CO 0.71 0.32 -0.25 -0.89 0.23 0.00 0.00 176.35 176.47 3mlx s THR 5 N -0.47 2.06 0.09 5.49 2.01 0.11 -3.77 115.64 121.15 3mlx s THR 5 Ca 0.11 -1.07 0.04 0.00 0.31 0.00 0.00 61.69 61.07 3mlx s THR 5 Cb -0.12 -1.74 -0.03 0.00 0.01 0.00 0.00 72.50 70.62 3mlx s THR 5 CO 0.02 0.57 -0.10 -1.10 -0.69 0.00 0.00 174.62 173.32 3mlx s GLN 6 N -0.19 0.80 0.33 4.92 -0.21 -1.26 0.37 119.66 124.42 3mlx s GLN 6 Ca -0.03 -1.10 -0.28 0.00 0.02 0.00 0.00 55.36 53.96 3mlx s GLN 6 Cb -0.14 -0.51 -0.10 0.00 1.00 0.00 0.00 33.01 33.27 3mlx s GLN 6 CO 0.03 0.08 1.23 -1.25 -2.12 0.00 0.00 175.29 173.26 3mlx s PRO 7 N -2.62 4.39 0.53 2.91 0.04 -1.26 -4.84 135.00 134.15 3mlx s PRO 7 Ca 0.03 2.05 0.19 0.00 0.04 0.00 0.00 61.00 63.31 3mlx s PRO 7 Cb -0.04 -3.05 1.34 0.00 0.04 0.00 0.00 34.50 32.79 3mlx s PRO 7 CO -0.00 -0.10 2.12 -1.00 0.04 0.00 0.00 177.00 178.06 3mlx h PRO 8 N 3.39 0.00 -2.62 0.56 0.13 -1.97 -3.37 132.00 128.11 3mlx h PRO 8 Ca -0.48 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.57 3mlx h PRO 8 Cb 1.22 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.18 3mlx h PRO 8 CO 0.65 0.00 0.01 -1.54 -0.23 0.00 0.00 178.00 176.89 3mlx s SER 9 N -6.80 -0.44 0.02 1.44 1.04 -1.26 -0.72 113.70 106.99 3mlx s SER 9 Ca -0.05 0.30 -0.05 0.00 0.48 0.00 0.00 55.95 56.63 3mlx s SER 9 Cb 0.17 0.46 -0.01 0.00 0.10 0.00 0.00 66.02 66.75 3mlx s SER 9 CO 0.67 -0.63 0.07 -0.69 0.98 0.00 0.00 173.24 173.65 3mlx s VAL 11 N -1.87 0.11 0.08 5.02 1.01 -0.46 -4.90 120.40 119.39 3mlx s VAL 11 Ca -0.09 -0.90 -0.21 0.00 0.00 0.00 0.00 61.98 60.78 3mlx s VAL 11 Cb -0.01 -0.55 0.05 0.00 0.00 0.00 0.00 36.38 35.86 3mlx s VAL 11 CO 0.03 -0.50 0.51 -0.94 0.00 0.00 0.00 175.10 174.20 3mlx s SER 12 N -1.67 -0.42 0.14 3.32 1.04 -1.26 -1.28 113.70 113.56 3mlx s SER 12 Ca -0.12 0.04 -0.25 0.00 0.48 0.00 0.00 55.95 56.11 3mlx s SER 12 Cb -0.06 0.51 0.07 0.00 0.10 0.00 0.00 66.02 66.64 3mlx s SER 12 CO -0.01 -0.80 0.85 0.00 0.98 0.00 0.00 173.24 174.26 3mlx s ALA 13 N -2.98 -1.61 0.59 5.32 0.00 -1.01 -4.98 121.76 117.08 3mlx s ALA 13 Ca -0.02 0.33 -0.13 0.00 0.00 0.00 0.00 51.96 52.13 3mlx s ALA 13 Cb -0.00 0.66 -0.05 0.00 0.00 0.00 0.00 23.12 23.73 3mlx s ALA 13 CO -0.06 -0.91 1.02 0.00 0.00 0.00 0.00 175.76 175.81 3mlx s ALA 14 N -3.42 3.01 0.42 0.00 0.00 -1.26 -0.84 121.76 119.66 3mlx s ALA 14 Ca 0.09 0.07 -0.27 0.00 0.00 0.00 0.00 51.96 51.85 3mlx s ALA 14 Cb -0.02 -3.12 -0.10 0.00 0.00 0.00 0.00 23.12 19.89 3mlx s ALA 14 CO -0.02 -0.59 1.47 -1.25 0.00 0.00 0.00 175.76 175.37 3mlx s PRO 15 N -4.67 3.88 0.00 0.00 0.04 -1.26 -1.32 135.00 131.68 3mlx s PRO 15 Ca 0.57 2.52 0.00 0.00 0.04 0.00 0.00 61.00 64.14 3mlx s PRO 15 Cb -0.11 -2.81 0.00 0.00 0.04 0.00 0.00 34.50 31.62 3mlx s PRO 15 CO 0.44 -0.70 0.00 0.41 0.04 0.00 0.00 177.00 177.20 3mlx n GLY 16 N 0.50 2.07 3.97 0.56 0.00 0.44 -4.87 105.19 107.86 3mlx n GLY 16 Ca 0.03 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 3mlx n GLY 16 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3mlx s GLN 17 N -0.64 1.29 0.16 1.61 -1.52 -0.43 -4.17 119.66 115.96 3mlx s GLN 17 Ca 0.00 -0.91 0.09 0.00 -1.95 0.00 0.00 55.36 52.59 3mlx s GLN 17 Cb 0.00 -2.17 -0.04 0.00 -0.22 0.00 0.00 33.01 30.58 3mlx s GLN 17 CO 0.00 -1.80 -0.20 -1.59 -0.25 0.00 0.00 175.29 171.45 3mlx s LYS 18 N -5.40 1.32 0.17 2.91 -2.85 -1.26 -1.05 119.74 113.58 3mlx s LYS 18 Ca 0.69 -1.41 -0.06 0.00 -1.00 0.00 0.00 55.97 54.20 3mlx s LYS 18 Cb -0.04 -1.47 -0.02 0.00 -2.06 0.00 0.00 37.83 34.23 3mlx s LYS 18 CO 0.47 0.31 0.22 0.14 0.10 0.00 0.00 175.35 176.59 3mlx s VAL 19 N -1.84 0.06 0.06 1.79 -7.23 -0.03 -4.96 120.40 108.24 3mlx s VAL 19 Ca 0.16 -1.65 0.04 0.00 -1.81 0.00 0.00 61.98 58.72 3mlx s VAL 19 Cb -0.07 -2.06 -0.03 0.00 0.56 0.00 0.00 36.38 34.78 3mlx s VAL 19 CO 0.07 -0.25 -0.11 0.42 -0.31 0.00 0.00 175.10 174.92 3mlx s THR 20 N -4.03 0.86 -0.11 5.32 -4.23 -1.26 -1.23 115.64 110.96 3mlx s THR 20 Ca 0.24 -1.23 -0.00 0.00 -1.18 0.00 0.00 61.69 59.52 3mlx s THR 20 Cb 0.05 -0.89 0.02 0.00 1.34 0.00 0.00 72.50 73.02 3mlx s THR 20 CO 0.04 -0.31 -0.08 -0.63 -0.54 0.00 0.00 174.62 173.10 3mlx s ILE 21 N -1.38 1.02 0.36 2.99 1.01 0.44 -4.96 121.20 120.69 3mlx s ILE 21 Ca -0.05 -0.30 -0.19 0.00 0.00 0.00 0.00 60.65 60.11 3mlx s ILE 21 Cb -0.10 -1.03 -0.10 0.00 0.01 0.00 0.00 42.46 41.24 3mlx s ILE 21 CO 0.01 0.36 0.84 -0.44 0.00 0.00 0.00 174.94 175.72 3mlx s SER 22 N 1.60 6.91 -0.26 3.58 0.01 -1.26 -1.41 113.70 122.86 3mlx s SER 22 Ca 0.03 1.51 -0.03 0.00 1.31 0.00 0.00 55.95 58.77 3mlx s SER 22 Cb -0.13 -2.46 0.08 0.00 0.21 0.00 0.00 66.02 63.72 3mlx s SER 22 CO -0.07 -0.24 0.08 0.00 0.41 0.00 0.00 173.24 173.42 3mlx s SER 24 N 1.86 6.43 0.00 0.00 0.15 0.16 -1.24 113.70 121.05 3mlx s SER 24 Ca 0.05 0.51 0.00 0.00 0.70 0.00 0.00 55.95 57.22 3mlx s SER 24 Cb -0.17 -2.27 0.00 0.00 -1.71 0.00 0.00 66.02 61.87 3mlx s SER 24 CO -0.21 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 174.60 3mlx n GLY 25 N 4.31 5.23 0.00 9.45 0.00 -0.41 -0.71 105.19 123.06 3mlx n GLY 25 Ca -0.05 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.42 3mlx n GLY 25 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3mlx n SER 26 N 0.00 0.00 0.00 1.61 3.41 -1.24 -4.86 113.62 112.55 3mlx n SER 26 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3mlx n SER 26 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3mlx n SER 26 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3mlx n SER 27 N 0.00 0.00 0.00 4.04 3.41 -1.26 -2.03 113.62 117.78 3mlx n SER 27 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3mlx n SER 27 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3mlx n SER 27 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3mlx n ASN 27 N 0.00 0.00 -0.18 4.04 6.94 -1.26 -0.33 115.26 124.47 3mlx n ASN 27 Ca 0.00 0.00 0.17 0.00 -0.02 0.00 0.00 54.58 54.73 3mlx n ASN 27 Cb 0.00 0.00 0.53 0.00 -2.36 0.00 0.00 39.78 37.95 3mlx n ASN 27 CO 0.00 0.00 0.00 0.40 -1.03 0.00 0.00 177.26 176.63 3mlx h ILE 28 N 0.00 0.74 0.00 1.53 2.04 -1.72 0.26 117.51 120.37 3mlx h ILE 28 Ca 0.00 -0.13 -0.01 0.00 1.00 0.00 0.00 64.86 65.73 3mlx h ILE 28 Cb 0.00 0.35 -0.00 0.00 -0.74 0.00 0.00 36.82 36.42 3mlx h ILE 28 CO 0.00 0.07 -0.03 1.23 0.00 0.00 0.00 178.15 179.42 3mlx h GLY 29 N 0.37 0.00 0.00 5.37 0.00 -1.57 -3.25 103.07 103.99 3mlx h GLY 29 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.73 3mlx h GLY 29 CO -0.12 0.00 -0.18 0.70 0.00 0.00 0.00 176.54 176.94 3mlx n ASN 30 N -3.30 0.91 -4.22 0.19 3.02 -0.12 -5.02 115.26 106.71 3mlx n ASN 30 Ca -0.02 -0.28 -0.16 0.00 -0.03 0.00 0.00 54.58 54.10 3mlx n ASN 30 Cb 0.15 0.73 -0.11 0.00 -0.61 0.00 0.00 39.78 39.95 3mlx n ASN 30 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 3mlx s ASN 31 N -0.92 1.76 0.23 6.41 0.01 0.74 -5.07 114.94 118.10 3mlx s ASN 31 Ca 0.00 -0.87 -0.22 0.00 -0.71 0.00 0.00 52.86 51.06 3mlx s ASN 31 Cb 0.00 -0.03 -0.08 0.00 0.41 0.00 0.00 41.25 41.55 3mlx s ASN 31 CO 0.00 -0.24 0.77 -0.04 -1.51 0.00 0.00 177.10 176.08 3mlx s MET 32 N -3.04 4.38 0.11 -0.60 -1.94 -1.26 -4.31 119.30 112.63 3mlx s MET 32 Ca 0.10 1.01 -0.14 0.00 -1.71 0.00 0.00 55.69 54.95 3mlx s MET 32 Cb -0.02 -2.95 -0.06 0.00 2.01 0.00 0.00 34.83 33.81 3mlx s MET 32 CO 0.01 0.41 0.50 0.08 -0.01 0.00 0.00 175.02 176.02 3mlx s VAL 33 N -1.46 4.92 0.13 -6.03 1.01 -1.26 -4.63 120.40 113.08 3mlx s VAL 33 Ca 0.43 0.78 0.09 0.00 0.00 0.00 0.00 61.98 63.28 3mlx s VAL 33 Cb -0.18 -3.73 -0.04 0.00 0.00 0.00 0.00 36.38 32.43 3mlx s VAL 33 CO 0.22 0.32 -0.22 -0.94 0.00 0.00 0.00 175.10 174.48 3mlx s SER 34 N -1.61 2.83 0.11 3.32 1.04 -0.27 -0.56 113.70 118.57 3mlx s SER 34 Ca 0.34 -0.75 0.08 0.00 0.48 0.00 0.00 55.95 56.10 3mlx s SER 34 Cb -0.15 -0.17 -0.04 0.00 0.10 0.00 0.00 66.02 65.76 3mlx s SER 34 CO 0.18 0.07 -0.19 0.26 0.98 0.00 0.00 173.24 174.55 3mlx s TRP 35 N -1.36 1.70 0.08 5.02 0.52 0.67 -1.08 118.94 124.50 3mlx s TRP 35 Ca 0.11 -0.44 0.03 0.00 0.02 0.00 0.00 56.10 55.82 3mlx s TRP 35 Cb -0.09 -0.91 -0.03 0.00 -1.15 0.00 0.00 33.47 31.28 3mlx s TRP 35 CO 0.06 0.21 -0.10 0.71 0.02 0.00 0.00 176.95 177.85 3mlx s TYR 36 N -1.43 0.97 -0.12 -1.98 1.51 0.53 -0.27 117.35 116.55 3mlx s TYR 36 Ca 0.08 -0.59 0.02 0.00 -1.01 0.00 0.00 57.07 55.57 3mlx s TYR 36 Cb -0.09 -0.55 0.00 0.00 -0.11 0.00 0.00 41.96 41.22 3mlx s TYR 36 CO 0.04 -0.02 -0.21 -1.14 -1.11 0.00 0.00 175.55 173.12 3mlx s GLN 37 N -2.32 3.12 -0.10 -0.62 0.74 -0.26 -1.57 119.66 118.64 3mlx s GLN 37 Ca 0.00 -0.83 -0.01 0.00 0.05 0.00 0.00 55.36 54.58 3mlx s GLN 37 Cb -0.06 -2.43 0.02 0.00 1.10 0.00 0.00 33.01 31.65 3mlx s GLN 37 CO 0.00 0.11 -0.06 -1.14 -0.55 0.00 0.00 175.29 173.65 3mlx s GLN 38 N 0.54 1.30 -0.19 1.67 0.74 0.54 -0.70 119.66 123.55 3mlx s GLN 38 Ca -0.13 -0.17 -0.18 0.00 0.05 0.00 0.00 55.36 54.93 3mlx s GLN 38 Cb -0.17 -1.42 -0.03 0.00 1.10 0.00 0.00 33.01 32.49 3mlx s GLN 38 CO 0.04 -0.26 0.49 -1.01 -0.55 0.00 0.00 175.29 174.00 3mlx s HIS 39 N 1.72 3.38 0.07 1.67 3.76 -1.26 -0.99 115.29 123.63 3mlx s HIS 39 Ca 0.04 0.75 -0.37 0.00 -0.15 0.00 0.00 55.06 55.32 3mlx s HIS 39 Cb -0.13 -2.63 -0.17 0.00 1.11 0.00 0.00 32.58 30.76 3mlx s HIS 39 CO -0.07 -0.06 1.27 -0.35 -0.85 0.00 0.00 174.74 174.68 3mlx n PRO 40 N 4.63 0.89 0.00 8.40 -0.04 -1.26 -1.34 135.00 146.28 3mlx n PRO 40 Ca -0.06 0.32 0.00 0.00 -0.04 0.00 0.00 63.50 63.72 3mlx n PRO 40 Cb 0.51 -1.92 0.00 0.00 -0.04 0.00 0.00 33.50 32.04 3mlx n PRO 40 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3mlx n GLY 41 N 2.28 2.66 3.41 0.55 0.00 -1.26 -5.06 105.19 107.76 3mlx n GLY 41 Ca 0.19 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.00 3mlx n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3mlx s THR 42 N -2.63 1.59 0.61 2.61 -4.23 -0.45 -5.14 115.64 108.00 3mlx s THR 42 Ca 0.00 -2.12 -0.17 0.00 -1.18 0.00 0.00 61.69 58.21 3mlx s THR 42 Cb 0.00 -2.40 -0.03 0.00 1.34 0.00 0.00 72.50 71.42 3mlx s THR 42 CO 0.00 -0.33 1.14 0.00 -0.54 0.00 0.00 174.62 174.89 3mlx s ALA 43 N -3.05 2.55 0.76 3.99 0.00 -1.26 -4.50 121.76 120.25 3mlx s ALA 43 Ca 0.29 0.75 -0.15 0.00 0.00 0.00 0.00 51.96 52.85 3mlx s ALA 43 Cb 0.03 -3.37 0.06 0.00 0.00 0.00 0.00 23.12 19.84 3mlx s ALA 43 CO 0.11 -1.09 1.23 -2.14 0.00 0.00 0.00 175.76 173.87 3mlx s PRO 44 N -3.63 1.90 -0.08 0.00 0.02 -1.26 -4.68 135.00 127.27 3mlx s PRO 44 Ca 0.71 1.84 0.03 0.00 0.02 0.00 0.00 61.00 63.60 3mlx s PRO 44 Cb -0.24 -1.80 0.01 0.00 0.02 0.00 0.00 34.50 32.49 3mlx s PRO 44 CO 0.34 -2.04 -0.16 0.21 -0.33 0.00 0.00 177.00 175.02 3mlx s LYS 45 N -3.92 2.21 0.07 5.54 2.20 0.12 -4.92 119.74 121.03 3mlx s LYS 45 Ca 0.76 -0.58 -0.31 0.00 -0.36 0.00 0.00 55.97 55.48 3mlx s LYS 45 Cb -0.31 -1.76 -0.08 0.00 -1.51 0.00 0.00 37.83 34.16 3mlx s LYS 45 CO 0.47 0.06 1.68 -1.17 -0.36 0.00 0.00 175.35 176.04 3mlx s LEU 46 N 0.60 4.37 -0.16 5.43 2.96 -1.26 -1.10 118.68 129.52 3mlx s LEU 46 Ca -0.15 2.51 -0.02 0.00 -0.22 0.00 0.00 54.13 56.24 3mlx s LEU 46 Cb -0.16 -3.56 -0.09 0.00 0.50 0.00 0.00 46.19 42.87 3mlx s LEU 46 CO 0.05 -0.90 -0.17 0.18 -1.32 0.00 0.00 176.35 174.18 3mlx n LEU 47 N 5.74 2.34 -3.93 -0.68 4.77 0.62 -4.84 117.00 121.02 3mlx n LEU 47 Ca 0.16 0.02 -0.10 0.00 -0.03 0.00 0.00 56.01 56.06 3mlx n LEU 47 Cb 0.40 -0.53 -0.12 0.00 -2.33 0.00 0.00 43.42 40.84 3mlx n LEU 47 CO 0.63 0.62 -0.36 -0.63 -1.33 0.00 0.00 177.39 176.32 3mlx s ILE 48 N -2.31 0.06 0.07 -0.08 -1.09 -1.15 -4.08 121.20 112.62 3mlx s ILE 48 Ca -0.22 -0.46 -0.03 0.00 -2.23 0.00 0.00 60.65 57.71 3mlx s ILE 48 Cb 0.07 -0.14 -0.03 0.00 -1.58 0.00 0.00 42.46 40.78 3mlx s ILE 48 CO 0.34 -0.25 0.04 -0.72 -1.23 0.00 0.00 174.94 173.11 3mlx s TYR 49 N -0.74 0.49 -1.43 3.97 -0.85 0.12 -0.24 117.35 118.67 3mlx s TYR 49 Ca -0.08 -0.98 -0.04 0.00 -0.52 0.00 0.00 57.07 55.45 3mlx s TYR 49 Cb -0.05 -0.32 0.03 0.00 0.38 0.00 0.00 41.96 42.00 3mlx s TYR 49 CO -0.00 -0.44 0.62 0.39 -1.52 0.00 0.00 175.55 174.59 3mlx n GLU 50 N 0.04 -4.08 0.00 -3.49 1.02 -1.14 -0.45 120.64 112.54 3mlx n GLU 50 Ca -0.13 0.49 0.00 0.00 -0.02 0.00 0.00 57.16 57.50 3mlx n GLU 50 Cb 0.62 -4.92 0.00 0.00 -0.02 0.00 0.00 31.44 27.12 3mlx n GLU 50 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3mlx n ASN 51 N -2.95 0.00 0.00 1.62 3.02 0.27 -3.91 115.26 113.31 3mlx n ASN 51 Ca -0.22 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.33 3mlx n ASN 51 Cb 0.64 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.81 3mlx n ASN 51 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3mlx n SER 52 N 1.18 0.00 -4.77 6.41 3.41 -1.15 -2.57 113.62 116.13 3mlx n SER 52 Ca 0.00 -1.00 -0.40 0.00 -0.26 0.00 0.00 58.87 57.21 3mlx n SER 52 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 3mlx n SER 52 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3mlx s LYS 53 N 0.00 4.64 -0.21 4.33 1.02 0.41 -4.50 119.74 125.43 3mlx s LYS 53 Ca 0.00 1.24 -0.06 0.00 0.02 0.00 0.00 55.97 57.18 3mlx s LYS 53 Cb 0.00 -3.27 -0.03 0.00 -0.52 0.00 0.00 37.83 34.01 3mlx s LYS 53 CO 0.00 0.54 0.02 0.50 -0.92 0.00 0.00 175.35 175.49 3mlx s ARG 54 N -1.09 3.65 0.78 1.68 3.52 -1.26 -0.70 118.95 125.53 3mlx s ARG 54 Ca 0.37 -0.50 -0.11 0.00 -0.13 0.00 0.00 55.73 55.37 3mlx s ARG 54 Cb -0.24 -3.14 0.06 0.00 -1.56 0.00 0.00 34.95 30.07 3mlx s ARG 54 CO 0.28 -0.01 1.08 -1.25 -0.81 0.00 0.00 175.30 174.59 3mlx s PRO 55 N 1.07 2.23 0.27 5.12 0.04 -1.26 -4.95 135.00 137.53 3mlx s PRO 55 Ca 0.03 0.90 -0.30 0.00 0.04 0.00 0.00 61.00 61.66 3mlx s PRO 55 Cb -0.14 -1.91 -0.12 0.00 0.04 0.00 0.00 34.50 32.37 3mlx s PRO 55 CO 0.02 -1.58 1.64 0.45 0.04 0.00 0.00 177.00 177.56 3mlx s SER 56 N -3.66 6.36 0.00 6.66 0.15 -1.26 -2.45 113.70 119.50 3mlx s SER 56 Ca 0.60 2.94 0.00 0.00 0.70 0.00 0.00 55.95 60.20 3mlx s SER 56 Cb -0.16 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.53 3mlx s SER 56 CO 0.55 -0.94 0.00 0.61 1.20 0.00 0.00 173.24 174.66 3mlx n GLY 57 N 2.65 2.95 3.63 9.45 0.00 -1.26 -5.05 105.19 117.55 3mlx n GLY 57 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 3mlx n GLY 57 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mlx s ILE 58 N -2.63 5.09 0.61 -0.61 -1.09 -1.03 -5.05 121.20 116.50 3mlx s ILE 58 Ca 0.00 0.88 -0.19 0.00 -2.23 0.00 0.00 60.65 59.11 3mlx s ILE 58 Cb 0.00 -3.82 -0.02 0.00 -1.58 0.00 0.00 42.46 37.03 3mlx s ILE 58 CO 0.00 0.12 1.28 -2.16 -1.23 0.00 0.00 174.94 172.95 3mlx s PRO 59 N 2.09 2.77 0.00 2.79 0.04 -1.26 -4.86 135.00 136.57 3mlx s PRO 59 Ca 0.21 2.02 0.06 0.00 0.04 0.00 0.00 61.00 63.33 3mlx s PRO 59 Cb -0.16 -1.93 0.27 0.00 0.04 0.00 0.00 34.50 32.72 3mlx s PRO 59 CO 0.09 -1.41 1.05 -0.40 0.04 0.00 0.00 177.00 176.37 3mlx n ASP 60 N -1.67 0.00 0.00 6.66 5.68 -1.26 -1.99 116.55 123.97 3mlx n ASP 60 Ca 0.14 0.27 0.14 0.00 -0.50 0.00 0.00 54.79 54.84 3mlx n ASP 60 Cb 0.48 -0.33 0.76 0.00 -1.14 0.00 0.00 41.12 40.89 3mlx n ASP 60 CO 0.00 0.00 0.00 -2.11 -1.33 0.00 0.00 177.20 173.76 3mlx n ARG 61 N -1.33 0.65 -4.17 0.11 1.85 -1.26 -4.56 116.66 107.95 3mlx n ARG 61 Ca 0.02 0.02 -0.34 0.00 -1.00 0.00 0.00 57.85 56.55 3mlx n ARG 61 Cb 0.05 -1.50 -0.11 0.00 -1.05 0.00 0.00 32.46 29.85 3mlx n ARG 61 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 3mlx s PHE 62 N -2.27 3.16 0.07 2.89 0.40 -0.84 -1.09 117.98 120.31 3mlx s PHE 62 Ca 0.34 -0.08 -0.03 0.00 -0.60 0.00 0.00 56.93 56.57 3mlx s PHE 62 Cb 0.19 -2.03 -0.03 0.00 0.51 0.00 0.00 43.02 41.66 3mlx s PHE 62 CO 0.36 0.08 0.03 -1.54 0.70 0.00 0.00 175.22 174.86 3mlx s SER 63 N 0.35 0.38 0.02 1.36 1.04 -0.26 -4.97 113.70 111.62 3mlx s SER 63 Ca 0.00 -0.96 -0.00 0.00 0.48 0.00 0.00 55.95 55.47 3mlx s SER 63 Cb -0.13 0.25 -0.02 0.00 0.10 0.00 0.00 66.02 66.22 3mlx s SER 63 CO 0.01 -0.65 -0.03 -0.83 0.98 0.00 0.00 173.24 172.73 3mlx s GLY 64 N -2.93 0.21 0.09 7.32 0.00 -1.26 -0.59 107.32 110.16 3mlx s GLY 64 Ca 0.09 -0.52 -0.11 0.00 0.00 0.00 0.00 44.72 44.18 3mlx s GLY 64 CO -0.08 -0.59 0.25 -1.35 0.00 0.00 0.00 173.10 171.33 3mlx s SER 65 N -1.30 0.00 -0.00 1.64 1.04 -0.43 -3.98 113.70 110.66 3mlx s SER 65 Ca -0.14 -0.49 0.01 0.00 0.48 0.00 0.00 55.95 55.81 3mlx s SER 65 Cb -0.09 0.37 -0.00 0.00 0.10 0.00 0.00 66.02 66.39 3mlx s SER 65 CO -0.01 -0.72 -0.05 -0.60 0.98 0.00 0.00 173.24 172.84 3mlx s ARG 66 N -3.55 0.37 -0.15 4.02 3.00 -1.26 -0.06 118.95 121.32 3mlx s ARG 66 Ca 0.02 -0.18 -0.06 0.00 -1.00 0.00 0.00 55.73 54.51 3mlx s ARG 66 Cb 0.03 -0.35 0.07 0.00 0.00 0.00 0.00 34.95 34.69 3mlx s ARG 66 CO -0.10 0.10 0.33 0.45 0.00 0.00 0.00 175.30 176.08 3mlx s SER 67 N -0.14 -0.09 1.83 -2.12 0.15 0.04 -4.99 113.70 108.37 3mlx s SER 67 Ca 0.01 0.74 0.00 0.00 0.70 0.00 0.00 55.95 57.40 3mlx s SER 67 Cb -0.02 0.82 0.00 0.00 -1.71 0.00 0.00 66.02 65.11 3mlx s SER 67 CO -0.00 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 174.83 3mlx n GLY 68 N 4.93 3.41 0.82 9.45 0.00 -1.26 -1.51 105.19 121.02 3mlx n GLY 68 Ca -0.14 0.11 0.02 0.00 0.00 0.00 0.00 46.02 46.01 3mlx n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3mlx n THR 69 N 0.00 2.34 -4.20 2.61 -2.24 -1.26 -4.17 114.28 107.36 3mlx n THR 69 Ca 0.00 -2.93 -0.12 0.00 -2.27 0.00 0.00 64.05 58.73 3mlx n THR 69 Cb 0.00 -0.27 -0.10 0.00 -2.10 0.00 0.00 70.33 67.86 3mlx n THR 69 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3mlx s SER 70 N -2.87 1.31 0.14 3.42 1.04 -0.57 -1.28 113.70 114.88 3mlx s SER 70 Ca 0.41 -1.02 0.01 0.00 0.48 0.00 0.00 55.95 55.82 3mlx s SER 70 Cb 0.38 0.07 -0.04 0.00 0.10 0.00 0.00 66.02 66.53 3mlx s SER 70 CO -0.03 -0.44 -0.01 0.00 0.98 0.00 0.00 173.24 173.74 3mlx s ALA 71 N -3.56 1.12 -0.04 5.32 0.00 -0.38 -0.78 121.76 123.45 3mlx s ALA 71 Ca 0.14 -1.49 -0.02 0.00 0.00 0.00 0.00 51.96 50.59 3mlx s ALA 71 Cb 0.05 0.49 0.02 0.00 0.00 0.00 0.00 23.12 23.68 3mlx s ALA 71 CO -0.03 -0.33 0.09 0.99 0.00 0.00 0.00 175.76 176.48 3mlx s THR 72 N -3.73 -0.03 -0.18 0.00 2.01 0.92 -1.61 115.64 113.02 3mlx s THR 72 Ca 0.20 0.10 -0.05 0.00 0.31 0.00 0.00 61.69 62.25 3mlx s THR 72 Cb 0.06 -0.15 -0.03 0.00 0.01 0.00 0.00 72.50 72.40 3mlx s THR 72 CO 0.01 0.04 -0.01 -0.22 -0.69 0.00 0.00 174.62 173.75 3mlx s LEU 73 N 0.60 3.32 -0.07 4.42 2.96 -0.50 -1.32 118.68 128.09 3mlx s LEU 73 Ca -0.05 -0.14 0.03 0.00 -0.22 0.00 0.00 54.13 53.76 3mlx s LEU 73 Cb -0.06 -1.83 -0.02 0.00 0.50 0.00 0.00 46.19 44.78 3mlx s LEU 73 CO -0.02 0.12 -0.15 -0.83 -1.32 0.00 0.00 176.35 174.14 3mlx s GLY 74 N 0.67 1.51 -0.11 7.98 0.00 0.24 -0.42 107.32 117.19 3mlx s GLY 74 Ca -0.01 -0.97 -0.01 0.00 0.00 0.00 0.00 44.72 43.74 3mlx s GLY 74 CO 0.02 -0.64 -0.06 -0.42 0.00 0.00 0.00 173.10 172.00 3mlx s ILE 75 N -0.46 0.89 0.13 0.90 1.01 -0.37 -1.10 121.20 122.20 3mlx s ILE 75 Ca 0.06 -0.24 0.04 0.00 0.00 0.00 0.00 60.65 60.51 3mlx s ILE 75 Cb -0.12 -0.96 -0.04 0.00 0.01 0.00 0.00 42.46 41.35 3mlx s ILE 75 CO 0.02 0.31 0.11 -0.63 0.00 0.00 0.00 174.94 174.75 3mlx s ILE 76 N 1.76 4.50 -1.18 2.92 -1.09 -0.25 -0.85 121.20 127.01 3mlx s ILE 76 Ca 0.04 -0.95 -0.05 0.00 -2.23 0.00 0.00 60.65 57.46 3mlx s ILE 76 Cb -0.13 -3.24 -0.02 0.00 -1.58 0.00 0.00 42.46 37.49 3mlx s ILE 76 CO -0.08 -0.01 0.85 0.61 -1.23 0.00 0.00 174.94 175.08 3mlx n GLY 77 N -0.01 -0.69 3.58 6.18 0.00 -1.04 -4.84 105.19 108.37 3mlx n GLY 77 Ca -0.08 0.32 -0.46 0.00 0.00 0.00 0.00 46.02 45.79 3mlx n GLY 77 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3mlx n LEU 78 N -3.91 1.54 -4.25 0.99 4.77 -0.22 -4.53 117.00 111.39 3mlx n LEU 78 Ca -0.19 1.16 -0.20 0.00 -0.03 0.00 0.00 56.01 56.75 3mlx n LEU 78 Cb 0.64 -1.24 -0.12 0.00 -2.33 0.00 0.00 43.42 40.38 3mlx n LEU 78 CO 0.64 -1.43 -0.47 -1.10 -1.33 0.00 0.00 177.39 173.69 3mlx s GLN 79 N -1.01 1.05 0.39 3.23 -0.21 -1.26 -0.42 119.66 121.43 3mlx s GLN 79 Ca 0.65 -1.19 0.14 0.00 0.02 0.00 0.00 55.36 54.98 3mlx s GLN 79 Cb -0.77 -1.08 0.97 0.00 1.00 0.00 0.00 33.01 33.12 3mlx s GLN 79 CO 0.56 0.23 1.88 1.15 -2.12 0.00 0.00 175.29 176.99 3mlx h THR 80 N 3.77 0.77 0.00 -0.19 2.02 -1.94 0.22 112.91 117.55 3mlx h THR 80 Ca -0.42 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 66.58 3mlx h THR 80 Cb 1.19 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 67.80 3mlx h THR 80 CO 0.46 0.10 0.00 0.61 0.37 0.00 0.00 175.52 177.05 3mlx n GLY 81 N -1.48 -1.02 0.05 2.16 0.00 -1.26 -2.02 105.19 101.62 3mlx n GLY 81 Ca 0.17 0.14 0.13 0.00 0.00 0.00 0.00 46.02 46.46 3mlx n GLY 81 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3mlx n ASP 82 N -2.20 0.37 -4.68 1.61 8.00 0.06 -4.81 116.55 114.91 3mlx n ASP 82 Ca 0.00 0.54 -0.42 0.00 0.71 0.00 0.00 54.79 55.62 3mlx n ASP 82 Cb 0.11 -0.64 -0.03 0.00 -0.02 0.00 0.00 41.12 40.55 3mlx n ASP 82 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3mlx s GLU 83 N -3.06 4.15 -0.06 -1.24 2.02 -0.86 -4.87 118.70 114.79 3mlx s GLU 83 Ca 0.11 2.51 -0.19 0.00 0.02 0.00 0.00 54.97 57.41 3mlx s GLU 83 Cb 0.15 -3.82 0.06 0.00 0.10 0.00 0.00 34.13 30.62 3mlx s GLU 83 CO 0.52 -0.86 0.87 0.00 0.02 0.00 0.00 175.26 175.81 3mlx n ALA 84 N 6.41 -2.50 -2.76 5.21 0.00 -1.20 -4.88 120.51 120.79 3mlx n ALA 84 Ca 0.18 -0.46 -0.35 0.00 0.00 0.00 0.00 53.44 52.81 3mlx n ALA 84 Cb 0.40 -0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.77 3mlx n ALA 84 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3mlx s GLU 85 N -2.00 4.04 -0.09 0.00 2.56 -0.16 -1.23 118.70 121.82 3mlx s GLU 85 Ca 0.21 -0.20 0.01 0.00 0.00 0.00 0.00 54.97 54.99 3mlx s GLU 85 Cb -0.00 -3.37 -0.02 0.00 2.00 0.00 0.00 34.13 32.74 3mlx s GLU 85 CO -0.02 0.40 -0.11 0.71 -0.56 0.00 0.00 175.26 175.68 3mlx s TYR 86 N 0.08 2.82 0.03 5.30 1.51 1.00 -0.34 117.35 127.75 3mlx s TYR 86 Ca 0.09 -0.28 0.05 0.00 -1.01 0.00 0.00 57.07 55.92 3mlx s TYR 86 Cb -0.11 -1.74 -0.02 0.00 -0.11 0.00 0.00 41.96 39.98 3mlx s TYR 86 CO -0.01 0.08 -0.15 0.71 -1.11 0.00 0.00 175.55 175.07 3mlx s TYR 87 N -0.31 1.28 0.22 2.71 1.51 -0.61 -0.30 117.35 121.85 3mlx s TYR 87 Ca 0.03 -0.32 0.08 0.00 -1.01 0.00 0.00 57.07 55.84 3mlx s TYR 87 Cb -0.13 -0.78 -0.04 0.00 -0.11 0.00 0.00 41.96 40.91 3mlx s TYR 87 CO 0.03 0.03 0.07 0.00 -1.11 0.00 0.00 175.55 174.56 3mlx s ALA 89 N -2.00 -1.68 0.06 0.00 0.00 -0.24 -0.78 121.76 117.12 3mlx s ALA 89 Ca 0.30 0.68 -0.26 0.00 0.00 0.00 0.00 51.96 52.68 3mlx s ALA 89 Cb -0.08 0.71 0.09 0.00 0.00 0.00 0.00 23.12 23.83 3mlx s ALA 89 CO 0.21 -0.73 1.19 -0.08 0.00 0.00 0.00 175.76 176.36 3mlx s THR 90 N -3.47 0.00 0.12 0.00 -1.32 -0.91 -1.11 115.64 108.96 3mlx s THR 90 Ca 0.02 -0.33 -0.23 0.00 -1.21 0.00 0.00 61.69 59.94 3mlx s THR 90 Cb -0.01 -2.81 -0.07 0.00 -1.51 0.00 0.00 72.50 68.09 3mlx s THR 90 CO -0.11 0.00 0.70 0.86 -2.21 0.00 0.00 174.62 173.86 3mlx s TRP 91 N -2.14 3.86 0.05 9.09 -0.11 -1.26 -0.75 118.94 127.68 3mlx s TRP 91 Ca 0.25 1.49 0.08 0.00 1.22 0.00 0.00 56.10 59.14 3mlx s TRP 91 Cb -0.01 -2.68 -0.03 0.00 -1.50 0.00 0.00 33.47 29.26 3mlx s TRP 91 CO 0.01 0.52 -0.22 0.34 -4.62 0.00 0.00 176.95 172.98 3mlx s ASP 92 N -1.03 3.54 0.45 5.86 -1.08 -0.11 -4.39 116.67 119.90 3mlx s ASP 92 Ca 0.33 -0.51 0.17 0.00 -0.52 0.00 0.00 52.55 52.03 3mlx s ASP 92 Cb -0.22 -0.47 0.94 0.00 -1.46 0.00 0.00 42.92 41.72 3mlx s ASP 92 CO 0.23 0.25 1.46 1.23 0.52 0.00 0.00 175.17 178.86 3mlx h GLY 93 N 4.57 0.00 0.59 2.66 0.00 -0.99 0.29 103.07 110.19 3mlx h GLY 93 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.85 3mlx h GLY 93 CO 0.45 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.85 3mlx n SER 94 N -2.33 0.00 -2.13 0.19 3.41 -1.26 -4.86 113.62 106.65 3mlx n SER 94 Ca -0.01 -0.92 -0.06 0.00 -0.26 0.00 0.00 58.87 57.61 3mlx n SER 94 Cb 0.38 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.37 3mlx n SER 94 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3mlx n LEU 95 N -0.80 -3.23 -3.56 1.04 4.77 0.10 -5.07 117.00 110.25 3mlx n LEU 95 Ca 0.09 -0.28 -0.06 0.00 -0.03 0.00 0.00 56.01 55.74 3mlx n LEU 95 Cb 0.04 -1.59 -0.02 0.00 -2.33 0.00 0.00 43.42 39.52 3mlx n LEU 95 CO 0.07 0.09 0.84 0.00 -1.33 0.00 0.00 177.39 177.06 3mlx s ARG 95 N -3.96 0.61 0.07 3.23 1.70 -1.17 -5.02 118.95 114.43 3mlx s ARG 95 Ca 0.11 -0.24 -0.22 0.00 -0.47 0.00 0.00 55.73 54.91 3mlx s ARG 95 Cb -0.01 0.27 -0.06 0.00 -0.57 0.00 0.00 34.95 34.57 3mlx s ARG 95 CO 0.30 -0.27 0.67 0.99 -1.08 0.00 0.00 175.30 175.91 3mlx s THR 96 N -2.81 4.68 0.04 4.99 2.01 -1.26 -0.93 115.64 122.35 3mlx s THR 96 Ca 0.08 1.45 0.08 0.00 0.31 0.00 0.00 61.69 63.60 3mlx s THR 96 Cb -0.01 -4.02 -0.03 0.00 0.01 0.00 0.00 72.50 68.46 3mlx s THR 96 CO -0.06 0.47 -0.22 0.68 -0.69 0.00 0.00 174.62 174.80 3mlx s VAL 97 N -0.67 1.80 0.08 3.82 -7.23 0.07 -4.93 120.40 113.34 3mlx s VAL 97 Ca 0.33 -1.24 0.07 0.00 -1.81 0.00 0.00 61.98 59.33 3mlx s VAL 97 Cb -0.20 -1.55 -0.04 0.00 0.56 0.00 0.00 36.38 35.15 3mlx s VAL 97 CO 0.21 0.26 -0.11 -0.36 -0.31 0.00 0.00 175.10 174.79 3mlx s PHE 98 N -0.79 2.72 0.87 2.82 0.08 -1.26 -2.13 117.98 120.29 3mlx s PHE 98 Ca 0.09 -0.16 -0.12 0.00 0.12 0.00 0.00 56.93 56.86 3mlx s PHE 98 Cb -0.09 -1.46 0.11 0.00 -0.57 0.00 0.00 43.02 41.01 3mlx s PHE 98 CO 0.02 0.38 1.11 0.20 -0.10 0.00 0.00 175.22 176.83 3mlx s GLY 99 N -1.92 1.60 0.00 4.36 0.00 0.04 -4.42 107.32 106.97 3mlx s GLY 99 Ca 0.19 -0.33 0.12 0.00 0.00 0.00 0.00 44.72 44.70 3mlx s GLY 99 CO 0.11 0.17 1.35 0.61 0.00 0.00 0.00 173.10 175.34 3mlx n GLY 100 N -1.95 -0.82 0.00 0.20 0.00 -1.25 -4.72 105.19 96.66 3mlx n GLY 100 Ca 0.07 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3mlx n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mlx n GLY 101 N -0.28 0.76 3.21 -0.02 0.00 -1.26 -5.04 105.19 102.55 3mlx n GLY 101 Ca 0.04 -1.48 -0.32 0.00 0.00 0.00 0.00 46.02 44.26 3mlx n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3mlx s THR 102 N -1.40 2.04 -0.21 2.61 2.01 0.58 -4.45 115.64 116.82 3mlx s THR 102 Ca 0.00 -1.00 -0.20 0.00 0.31 0.00 0.00 61.69 60.80 3mlx s THR 102 Cb 0.00 -1.77 -0.03 0.00 0.01 0.00 0.00 72.50 70.71 3mlx s THR 102 CO 0.00 0.55 0.58 -0.75 -0.69 0.00 0.00 174.62 174.32 3mlx s LYS 103 N 0.41 4.17 -0.26 4.92 2.20 0.11 -0.00 119.74 131.28 3mlx s LYS 103 Ca -0.17 0.51 -0.11 0.00 -0.36 0.00 0.00 55.97 55.84 3mlx s LYS 103 Cb -0.18 -3.59 -0.05 0.00 -1.51 0.00 0.00 37.83 32.50 3mlx s LYS 103 CO 0.08 -0.26 0.17 -1.17 -0.36 0.00 0.00 175.35 173.81 3mlx s LEU 104 N 1.98 4.07 -0.11 5.43 2.96 -0.36 -1.35 118.68 131.30 3mlx s LEU 104 Ca 0.26 0.05 0.00 0.00 -0.22 0.00 0.00 54.13 54.23 3mlx s LEU 104 Cb -0.16 -2.11 -0.02 0.00 0.50 0.00 0.00 46.19 44.40 3mlx s LEU 104 CO 0.10 0.01 -0.11 -0.89 -1.32 0.00 0.00 176.35 174.14 3mlx s THR 105 N 1.39 3.28 -0.55 3.68 2.01 -0.41 -3.25 115.64 121.80 3mlx s THR 105 Ca 0.07 -0.60 -0.15 0.00 0.31 0.00 0.00 61.69 61.32 3mlx s THR 105 Cb -0.15 -2.36 0.13 0.00 0.01 0.00 0.00 72.50 70.13 3mlx s THR 105 CO 0.08 0.54 0.50 -0.69 -0.69 0.00 0.00 174.62 174.36 3mlx s VAL 106 N -0.05 5.12 -0.38 3.82 1.01 -1.26 -2.41 120.40 126.25 3mlx s VAL 106 Ca -0.02 -1.59 -0.41 0.00 0.00 0.00 0.00 61.98 59.96 3mlx s VAL 106 Cb -0.14 -4.28 -0.16 0.00 0.00 0.00 0.00 36.38 31.80 3mlx s VAL 106 CO 0.04 -0.87 1.92 0.18 0.00 0.00 0.00 175.10 176.37 3mlx n LEU 106 N 5.13 1.78 0.00 3.92 4.77 -0.02 -4.84 117.00 127.75 3mlx n LEU 106 Ca -0.12 0.85 0.00 0.00 -0.03 0.00 0.00 56.01 56.71 3mlx n LEU 106 Cb 0.40 -1.07 0.00 0.00 -2.33 0.00 0.00 43.42 40.42 3mlx n LEU 106 CO 0.52 -0.64 0.33 -1.54 -1.33 0.00 0.00 177.39 174.73 3mlx n SER 107 N 6.72 1.28 -3.59 -1.43 3.41 -1.26 -4.32 113.62 114.42 3mlx n SER 107 Ca 0.37 -1.37 -0.08 0.00 -0.26 0.00 0.00 58.87 57.53 3mlx n SER 107 Cb 0.08 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.02 3mlx n SER 107 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3mlx s GLN 108 N -0.37 1.13 0.48 4.33 -2.07 -1.26 -5.15 119.66 116.75 3mlx s GLN 108 Ca 0.00 -0.51 -0.24 0.00 -1.82 0.00 0.00 55.36 52.79 3mlx s GLN 108 Cb 0.00 0.46 -0.07 0.00 -1.09 0.00 0.00 33.01 32.31 3mlx s GLN 108 CO 0.00 -0.51 1.41 -2.14 -1.32 0.00 0.00 175.29 172.73 3mlx s PRO 109 N -3.39 3.51 0.46 9.60 0.02 -1.26 -4.95 135.00 138.99 3mlx s PRO 109 Ca 0.07 2.36 -0.24 0.00 0.02 0.00 0.00 61.00 63.21 3mlx s PRO 109 Cb -0.02 -2.53 -0.07 0.00 0.02 0.00 0.00 34.50 31.90 3mlx s PRO 109 CO -0.05 -0.94 1.28 0.15 -0.33 0.00 0.00 177.00 177.11 3mlx s LYS 110 N -2.60 3.66 -0.02 5.54 1.02 -1.26 -4.84 119.74 121.24 3mlx s LYS 110 Ca 0.64 2.06 0.00 0.00 0.02 0.00 0.00 55.97 58.69 3mlx s LYS 110 Cb -0.43 -2.50 0.02 0.00 -0.52 0.00 0.00 37.83 34.40 3mlx s LYS 110 CO 0.54 -0.71 -0.00 0.00 -0.92 0.00 0.00 175.35 174.25 3mlx s ALA 111 N -1.37 0.22 0.55 5.17 0.00 0.11 -4.92 121.76 121.53 3mlx s ALA 111 Ca 0.63 0.11 -0.18 0.00 0.00 0.00 0.00 51.96 52.52 3mlx s ALA 111 Cb -0.36 -0.21 -0.05 0.00 0.00 0.00 0.00 23.12 22.50 3mlx s ALA 111 CO 0.44 -0.04 1.07 0.00 0.00 0.00 0.00 175.76 177.23 3mlx s ALA 112 N 0.67 2.76 0.37 0.00 0.00 -1.26 -1.35 121.76 122.95 3mlx s ALA 112 Ca -0.06 0.56 -0.24 0.00 0.00 0.00 0.00 51.96 52.21 3mlx s ALA 112 Cb -0.09 -3.27 -0.10 0.00 0.00 0.00 0.00 23.12 19.66 3mlx s ALA 112 CO -0.01 -0.66 1.00 -1.25 0.00 0.00 0.00 175.76 174.83 3mlx s PRO 113 N -3.64 4.34 -0.07 0.00 0.04 -1.26 -4.38 135.00 130.02 3mlx s PRO 113 Ca 0.67 1.39 -0.15 0.00 0.04 0.00 0.00 61.00 62.95 3mlx s PRO 113 Cb -0.18 -2.60 -0.05 0.00 0.04 0.00 0.00 34.50 31.71 3mlx s PRO 113 CO 0.29 0.04 0.39 -1.12 0.04 0.00 0.00 177.00 176.65 3mlx s SER 114 N -1.66 6.68 -0.08 6.66 0.01 0.06 -4.91 113.70 120.47 3mlx s SER 114 Ca 0.55 0.81 0.04 0.00 1.31 0.00 0.00 55.95 58.66 3mlx s SER 114 Cb -0.19 -2.24 0.00 0.00 0.21 0.00 0.00 66.02 63.80 3mlx s SER 114 CO 0.24 0.19 -0.20 -0.69 0.41 0.00 0.00 173.24 173.19 3mlx s VAL 115 N -0.26 1.71 -0.10 3.43 1.01 -1.26 -1.65 120.40 123.28 3mlx s VAL 115 Ca 0.23 -0.83 0.01 0.00 0.00 0.00 0.00 61.98 61.39 3mlx s VAL 115 Cb -0.15 -1.48 0.02 0.00 0.00 0.00 0.00 36.38 34.76 3mlx s VAL 115 CO 0.10 0.48 -0.13 -0.89 0.00 0.00 0.00 175.10 174.66 3mlx s THR 116 N 0.32 1.32 -0.10 3.92 2.01 -0.38 -4.93 115.64 117.79 3mlx s THR 116 Ca -0.13 -0.54 0.04 0.00 0.31 0.00 0.00 61.69 61.37 3mlx s THR 116 Cb -0.16 -1.23 0.00 0.00 0.01 0.00 0.00 72.50 71.13 3mlx s THR 116 CO 0.06 0.41 -0.23 -0.22 -0.69 0.00 0.00 174.62 173.94 3mlx s LEU 117 N 1.03 2.08 -0.05 4.42 2.96 -1.26 -0.45 118.68 127.40 3mlx s LEU 117 Ca -0.07 -0.56 0.04 0.00 -0.22 0.00 0.00 54.13 53.32 3mlx s LEU 117 Cb -0.15 -1.39 -0.02 0.00 0.50 0.00 0.00 46.19 45.12 3mlx s LEU 117 CO -0.01 0.15 -0.15 -0.36 -1.32 0.00 0.00 176.35 174.65 3mlx s PHE 118 N 0.39 2.68 0.84 5.38 0.08 -0.11 -4.93 117.98 122.32 3mlx s PHE 118 Ca -0.18 -0.23 -0.11 0.00 0.12 0.00 0.00 56.93 56.54 3mlx s PHE 118 Cb -0.18 -1.64 0.14 0.00 -0.57 0.00 0.00 43.02 40.77 3mlx s PHE 118 CO 0.08 0.13 1.17 -1.25 -0.10 0.00 0.00 175.22 175.25 3mlx s PRO 119 N -0.62 1.39 0.45 0.24 0.04 -1.26 -1.87 135.00 133.38 3mlx s PRO 119 Ca 0.09 -0.40 -0.25 0.00 0.04 0.00 0.00 61.00 60.48 3mlx s PRO 119 Cb -0.11 -2.02 -0.08 0.00 0.04 0.00 0.00 34.50 32.33 3mlx s PRO 119 CO 0.01 -1.85 1.33 -2.14 0.04 0.00 0.00 177.00 174.39 3mlx s PRO 120 N -5.57 3.71 0.58 0.56 0.02 -1.23 -4.79 135.00 128.28 3mlx s PRO 120 Ca 0.67 2.20 -0.14 0.00 0.02 0.00 0.00 61.00 63.75 3mlx s PRO 120 Cb -0.07 -2.60 -0.05 0.00 0.02 0.00 0.00 34.50 31.81 3mlx s PRO 120 CO 0.49 -0.72 1.02 -1.54 -0.33 0.00 0.00 177.00 175.92 3mlx s SER 121 N -0.79 6.18 0.39 2.53 1.04 -1.26 -4.93 113.70 116.87 3mlx s SER 121 Ca 0.61 1.59 0.10 0.00 0.48 0.00 0.00 55.95 58.74 3mlx s SER 121 Cb -0.39 -2.50 0.81 0.00 0.10 0.00 0.00 66.02 64.04 3mlx s SER 121 CO 0.49 -0.90 1.93 0.77 0.98 0.00 0.00 173.24 176.51 3mlx h SER 122 N 0.30 0.21 -0.33 7.02 4.64 -1.99 -1.76 113.55 121.63 3mlx h SER 122 Ca -0.46 -0.04 -0.04 0.00 -0.47 0.00 0.00 61.79 60.78 3mlx h SER 122 Cb 1.20 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 63.22 3mlx h SER 122 CO 0.60 0.36 0.05 -0.33 -0.87 0.00 0.00 176.83 176.63 3mlx h GLU 123 N 0.21 0.56 -0.64 4.77 3.07 -1.99 -1.72 114.58 118.85 3mlx h GLU 123 Ca 0.04 -0.15 -0.09 0.00 -0.50 0.00 0.00 59.36 58.66 3mlx h GLU 123 Cb 0.35 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.17 3mlx h GLU 123 CO 0.02 0.64 0.06 1.49 -1.40 0.00 0.00 179.01 179.82 3mlx h GLU 124 N 0.38 1.08 -0.19 2.33 4.81 -1.78 -2.50 114.58 118.71 3mlx h GLU 124 Ca 0.10 -0.31 -0.02 0.00 -0.13 0.00 0.00 59.36 59.00 3mlx h GLU 124 Cb 0.36 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 3mlx h GLU 124 CO 0.01 1.01 0.01 -0.07 -0.73 0.00 0.00 179.01 179.24 3mlx h LEU 125 N 1.00 0.24 -0.42 1.64 3.38 -1.16 0.41 115.31 120.40 3mlx h LEU 125 Ca 0.19 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3mlx h LEU 125 Cb 0.49 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.18 3mlx h LEU 125 CO 0.02 0.29 0.00 0.00 0.09 0.00 0.00 178.44 178.84 3mlx n GLN 126 N -4.38 0.22 -0.30 1.13 10.64 -0.66 -1.11 117.38 122.90 3mlx n GLN 126 Ca -0.00 0.34 0.10 0.00 -1.83 0.00 0.00 57.00 55.60 3mlx n GLN 126 Cb 0.17 -1.84 0.26 0.00 -0.86 0.00 0.00 30.24 27.98 3mlx n GLN 126 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 3mlx n ALA 127 N -1.77 2.41 -2.80 2.61 0.00 0.07 -4.92 120.51 116.10 3mlx n ALA 127 Ca 0.03 -1.04 -0.18 0.00 0.00 0.00 0.00 53.44 52.25 3mlx n ALA 127 Cb 0.31 -0.95 0.02 0.00 0.00 0.00 0.00 19.45 18.83 3mlx n ALA 127 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3mlx n ASN 128 N 1.24 -5.27 -4.29 0.00 5.15 -0.27 -5.01 115.26 106.80 3mlx n ASN 128 Ca 0.20 -0.20 -0.16 0.00 -0.60 0.00 0.00 54.58 53.82 3mlx n ASN 128 Cb 0.50 -4.14 -0.10 0.00 -0.53 0.00 0.00 39.78 35.50 3mlx n ASN 128 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3mlx s LYS 129 N -5.40 1.25 -0.24 1.20 -0.14 -0.82 -4.61 119.74 110.98 3mlx s LYS 129 Ca 0.21 -1.63 -0.10 0.00 -1.36 0.00 0.00 55.97 53.10 3mlx s LYS 129 Cb -0.09 -0.47 0.09 0.00 -1.68 0.00 0.00 37.83 35.68 3mlx s LYS 129 CO 0.26 -0.12 0.54 0.00 -0.76 0.00 0.00 175.35 175.27 3mlx s ALA 130 N -3.53 -1.54 -0.07 5.17 0.00 -1.08 -2.98 121.76 117.72 3mlx s ALA 130 Ca 0.27 1.94 0.01 0.00 0.00 0.00 0.00 51.96 54.18 3mlx s ALA 130 Cb 0.06 -1.41 0.02 0.00 0.00 0.00 0.00 23.12 21.79 3mlx s ALA 130 CO 0.07 -0.65 -0.07 0.99 0.00 0.00 0.00 175.76 176.10 3mlx s THR 131 N 2.30 0.79 -0.17 0.00 2.01 -1.26 -0.29 115.64 119.02 3mlx s THR 131 Ca -0.06 -0.23 -0.14 0.00 0.31 0.00 0.00 61.69 61.57 3mlx s THR 131 Cb -0.10 -0.80 -0.04 0.00 0.01 0.00 0.00 72.50 71.57 3mlx s THR 131 CO -0.16 0.30 0.32 -0.76 -0.69 0.00 0.00 174.62 173.62 3mlx s LEU 132 N 1.14 4.22 -0.25 4.42 1.02 0.02 -3.57 118.68 125.67 3mlx s LEU 132 Ca -0.07 0.50 -0.04 0.00 0.02 0.00 0.00 54.13 54.54 3mlx s LEU 132 Cb -0.14 -2.41 0.00 0.00 0.02 0.00 0.00 46.19 43.67 3mlx s LEU 132 CO -0.01 0.05 -0.01 -0.69 0.02 0.00 0.00 176.35 175.72 3mlx s VAL 133 N 0.68 3.46 -0.34 -1.59 1.01 -0.78 -1.56 120.40 121.29 3mlx s VAL 133 Ca 0.17 -0.68 -0.04 0.00 0.00 0.00 0.00 61.98 61.44 3mlx s VAL 133 Cb -0.13 -2.69 0.06 0.00 0.00 0.00 0.00 36.38 33.62 3mlx s VAL 133 CO 0.05 0.26 0.09 0.00 0.00 0.00 0.00 175.10 175.49 3mlx s LEU 135 N 1.29 4.16 -0.14 0.00 1.43 0.41 -0.97 118.68 124.85 3mlx s LEU 135 Ca -0.01 0.23 0.02 0.00 -1.03 0.00 0.00 54.13 53.34 3mlx s LEU 135 Cb -0.20 -2.18 0.01 0.00 0.03 0.00 0.00 46.19 43.85 3mlx s LEU 135 CO -0.00 0.08 -0.21 -0.63 0.23 0.00 0.00 176.35 175.81 3mlx s ILE 136 N 0.85 2.10 0.25 -0.59 1.01 0.23 -1.25 121.20 123.80 3mlx s ILE 136 Ca 0.10 -0.96 -0.02 0.00 0.00 0.00 0.00 60.65 59.77 3mlx s ILE 136 Cb -0.13 -1.84 -0.03 0.00 0.01 0.00 0.00 42.46 40.47 3mlx s ILE 136 CO 0.03 0.55 0.27 -0.94 0.00 0.00 0.00 174.94 174.85 3mlx s SER 137 N 0.84 0.49 -1.49 3.58 1.04 -0.66 -0.32 113.70 117.19 3mlx s SER 137 Ca -0.06 -1.39 -0.12 0.00 0.48 0.00 0.00 55.95 54.86 3mlx s SER 137 Cb -0.15 0.49 0.07 0.00 0.10 0.00 0.00 66.02 66.53 3mlx s SER 137 CO -0.02 -1.00 0.86 0.47 0.98 0.00 0.00 173.24 174.52 3mlx n ASP 138 N -0.69 -4.87 -4.66 7.02 8.00 -0.73 -0.76 116.55 119.85 3mlx n ASP 138 Ca 0.02 -0.63 -0.28 0.00 0.71 0.00 0.00 54.79 54.61 3mlx n ASP 138 Cb 0.64 -3.91 -0.08 0.00 -0.02 0.00 0.00 41.12 37.75 3mlx n ASP 138 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 3mlx s PHE 139 N -3.21 2.89 -0.27 1.24 -0.71 -1.01 -4.49 117.98 112.41 3mlx s PHE 139 Ca 0.57 -0.10 -0.19 0.00 -1.04 0.00 0.00 56.93 56.18 3mlx s PHE 139 Cb -0.29 -1.45 0.08 0.00 -1.21 0.00 0.00 43.02 40.15 3mlx s PHE 139 CO 0.71 0.49 0.69 -0.47 -1.34 0.00 0.00 175.22 175.30 3mlx s TYR 140 N -1.51 -0.96 1.05 3.49 5.04 -0.45 -0.28 117.35 123.72 3mlx s TYR 140 Ca 0.26 2.04 -0.13 0.00 -2.44 0.00 0.00 57.07 56.81 3mlx s TYR 140 Cb -0.10 0.51 0.18 0.00 0.35 0.00 0.00 41.96 42.90 3mlx s TYR 140 CO 0.18 -0.47 0.85 -2.30 -1.34 0.00 0.00 175.55 172.47 3mlx n PRO 141 N 3.79 -1.37 -1.73 4.97 -0.02 -1.26 0.07 135.00 139.44 3mlx n PRO 141 Ca -0.18 -0.36 -0.41 0.00 -2.02 0.00 0.00 63.50 60.53 3mlx n PRO 141 Cb 0.58 -2.14 -0.01 0.00 -0.02 0.00 0.00 33.50 31.91 3mlx n PRO 141 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mlx n GLY 142 N 0.95 4.55 3.30 -1.23 0.00 -1.26 -4.83 105.19 106.67 3mlx n GLY 142 Ca 0.06 -1.72 -0.10 0.00 0.00 0.00 0.00 46.02 44.26 3mlx n GLY 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mlx s ALA 143 N 1.66 -1.11 0.11 4.61 0.00 -1.26 -4.75 121.76 121.02 3mlx s ALA 143 Ca 0.55 1.60 -0.07 0.00 0.00 0.00 0.00 51.96 54.04 3mlx s ALA 143 Cb 0.15 -0.98 -0.01 0.00 0.00 0.00 0.00 23.12 22.28 3mlx s ALA 143 CO -0.06 -0.29 0.17 0.14 0.00 0.00 0.00 175.76 175.71 3mlx s VAL 144 N 1.47 0.13 -0.09 0.00 -7.23 -1.26 -4.70 120.40 108.72 3mlx s VAL 144 Ca -0.09 -1.43 0.03 0.00 -1.81 0.00 0.00 61.98 58.68 3mlx s VAL 144 Cb -0.08 -1.60 0.01 0.00 0.56 0.00 0.00 36.38 35.26 3mlx s VAL 144 CO -0.13 -0.57 -0.17 -0.89 -0.31 0.00 0.00 175.10 173.02 3mlx s THR 145 N -3.92 1.55 -0.12 5.32 2.01 -0.78 -4.98 115.64 114.72 3mlx s THR 145 Ca 0.11 -0.71 -0.00 0.00 0.31 0.00 0.00 61.69 61.40 3mlx s THR 145 Cb 0.05 -1.37 -0.02 0.00 0.01 0.00 0.00 72.50 71.17 3mlx s THR 145 CO -0.06 0.45 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.53 3mlx s VAL 146 N 0.59 3.40 -0.02 3.82 1.01 -1.26 -0.61 120.40 127.33 3mlx s VAL 146 Ca -0.15 -0.55 0.04 0.00 0.00 0.00 0.00 61.98 61.32 3mlx s VAL 146 Cb -0.17 -2.43 -0.01 0.00 0.00 0.00 0.00 36.38 33.78 3mlx s VAL 146 CO 0.05 0.54 -0.14 0.00 0.00 0.00 0.00 175.10 175.55 3mlx s ALA 147 N 0.00 1.22 -0.02 5.51 0.00 -0.14 -4.99 121.76 123.34 3mlx s ALA 147 Ca -0.02 -0.58 0.03 0.00 0.00 0.00 0.00 51.96 51.39 3mlx s ALA 147 Cb -0.14 -0.36 -0.03 0.00 0.00 0.00 0.00 23.12 22.59 3mlx s ALA 147 CO 0.04 0.26 -0.10 -1.58 0.00 0.00 0.00 175.76 174.38 3mlx s TRP 148 N -0.15 2.83 -0.05 0.00 0.52 -1.26 -0.45 118.94 120.38 3mlx s TRP 148 Ca 0.02 -0.07 0.05 0.00 0.02 0.00 0.00 56.10 56.12 3mlx s TRP 148 Cb -0.08 -1.63 -0.01 0.00 -1.15 0.00 0.00 33.47 30.61 3mlx s TRP 148 CO 0.00 0.31 -0.22 0.15 0.02 0.00 0.00 176.95 177.21 3mlx s LYS 149 N -1.11 2.25 -0.41 4.98 -0.14 -0.11 -1.50 119.74 123.70 3mlx s LYS 149 Ca 0.14 -0.78 -0.11 0.00 -1.36 0.00 0.00 55.97 53.86 3mlx s LYS 149 Cb -0.11 -1.91 0.06 0.00 -1.68 0.00 0.00 37.83 34.18 3mlx s LYS 149 CO 0.04 0.31 0.27 0.00 -0.76 0.00 0.00 175.35 175.21 3mlx s ALA 150 N -0.06 3.34 0.00 5.17 0.00 0.14 -0.36 121.76 130.00 3mlx s ALA 150 Ca -0.04 -1.97 0.00 0.00 0.00 0.00 0.00 51.96 49.95 3mlx s ALA 150 Cb -0.13 -2.72 0.00 0.00 0.00 0.00 0.00 23.12 20.27 3mlx s ALA 150 CO 0.03 -1.56 0.00 -0.25 0.00 0.00 0.00 175.76 173.98 3mlx n ASP 151 N 5.01 0.00 -0.02 0.00 8.00 0.97 -0.99 116.55 129.52 3mlx n ASP 151 Ca -0.11 0.00 0.02 0.00 0.71 0.00 0.00 54.79 55.41 3mlx n ASP 151 Cb 0.44 0.00 0.03 0.00 -0.02 0.00 0.00 41.12 41.57 3mlx n ASP 151 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 3mlx n SER 152 N 11.21 2.05 -4.75 -2.24 2.88 -1.26 -4.76 113.62 116.75 3mlx n SER 152 Ca 0.00 -2.23 -0.36 0.00 -1.33 0.00 0.00 58.87 54.96 3mlx n SER 152 Cb 0.00 -0.09 -0.08 0.00 -0.75 0.00 0.00 64.21 63.28 3mlx n SER 152 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 3mlx s SER 153 N -1.40 5.66 0.57 -3.46 0.01 -0.16 -5.05 113.70 109.87 3mlx s SER 153 Ca 0.07 0.25 -0.19 0.00 1.31 0.00 0.00 55.95 57.39 3mlx s SER 153 Cb 0.06 -1.71 -0.04 0.00 0.21 0.00 0.00 66.02 64.53 3mlx s SER 153 CO 0.01 0.37 1.19 -2.16 0.41 0.00 0.00 173.24 173.06 3mlx s PRO 154 N -0.84 3.12 -0.04 12.44 0.04 -1.26 0.27 135.00 148.73 3mlx s PRO 154 Ca 0.13 1.78 -0.01 0.00 0.04 0.00 0.00 61.00 62.94 3mlx s PRO 154 Cb -0.12 -1.98 0.03 0.00 0.04 0.00 0.00 34.50 32.48 3mlx s PRO 154 CO 0.03 -1.08 0.07 0.54 0.04 0.00 0.00 177.00 176.59 3mlx s VAL 155 N -1.63 -0.09 -0.09 -0.36 0.11 -0.56 -4.75 120.40 113.04 3mlx s VAL 155 Ca 0.75 0.27 0.04 0.00 -2.93 0.00 0.00 61.98 60.12 3mlx s VAL 155 Cb -0.29 -0.14 -0.08 0.00 -1.53 0.00 0.00 36.38 34.34 3mlx s VAL 155 CO 0.32 0.11 -0.02 -2.11 -3.33 0.00 0.00 175.10 170.07 3mlx n ARG 156 N 4.54 1.65 -2.04 1.54 1.85 -1.26 -4.25 116.66 118.68 3mlx n ARG 156 Ca -0.20 0.02 -0.41 0.00 -1.00 0.00 0.00 57.85 56.26 3mlx n ARG 156 Cb 0.50 -1.20 -0.02 0.00 -1.05 0.00 0.00 32.46 30.69 3mlx n ARG 156 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3mlx s ALA 157 N -2.19 3.60 0.00 2.89 0.00 -1.26 -2.81 121.76 121.99 3mlx s ALA 157 Ca -0.08 1.31 0.00 0.00 0.00 0.00 0.00 51.96 53.19 3mlx s ALA 157 Cb 0.03 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.61 3mlx s ALA 157 CO 0.28 -0.72 0.00 0.41 0.00 0.00 0.00 175.76 175.73 3mlx n GLY 158 N 1.93 0.76 3.71 0.00 0.00 -1.26 -4.84 105.19 105.49 3mlx n GLY 158 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 3mlx n GLY 158 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mlx s VAL 159 N -2.81 5.27 -0.12 1.61 1.01 -1.12 -0.99 120.40 123.24 3mlx s VAL 159 Ca 0.00 0.63 -0.01 0.00 0.00 0.00 0.00 61.98 62.61 3mlx s VAL 159 Cb 0.00 -3.68 0.03 0.00 0.00 0.00 0.00 36.38 32.73 3mlx s VAL 159 CO 0.00 0.35 -0.06 -1.61 0.00 0.00 0.00 175.10 173.77 3mlx s GLU 160 N 0.69 1.44 -0.09 2.72 0.41 -0.19 -4.99 118.70 118.69 3mlx s GLU 160 Ca 0.18 -0.30 0.04 0.00 -0.41 0.00 0.00 54.97 54.49 3mlx s GLU 160 Cb -0.14 -1.66 0.00 0.00 -1.78 0.00 0.00 34.13 30.56 3mlx s GLU 160 CO 0.06 -0.31 -0.22 0.99 -0.49 0.00 0.00 175.26 175.28 3mlx s THR 161 N 1.71 1.90 0.72 3.63 2.01 -1.26 -0.12 115.64 124.23 3mlx s THR 161 Ca 0.04 -0.94 -0.11 0.00 0.31 0.00 0.00 61.69 60.99 3mlx s THR 161 Cb -0.13 -1.65 0.02 0.00 0.01 0.00 0.00 72.50 70.75 3mlx s THR 161 CO -0.08 0.53 1.09 0.42 -0.69 0.00 0.00 174.62 175.89 3mlx s THR 162 N 0.31 3.46 0.44 -0.82 -4.23 -0.07 -5.01 115.64 109.72 3mlx s THR 162 Ca -0.16 0.47 -0.21 0.00 -1.18 0.00 0.00 61.69 60.62 3mlx s THR 162 Cb -0.17 -3.41 -0.11 0.00 1.34 0.00 0.00 72.50 70.15 3mlx s THR 162 CO 0.07 -0.62 0.96 0.42 -0.54 0.00 0.00 174.62 174.91 3mlx s THR 163 N -3.30 4.35 0.44 3.99 -4.23 -1.26 -4.58 115.64 111.04 3mlx s THR 163 Ca 0.59 1.44 -0.24 0.00 -1.18 0.00 0.00 61.69 62.29 3mlx s THR 163 Cb -0.12 -3.60 -0.08 0.00 1.34 0.00 0.00 72.50 70.05 3mlx s THR 163 CO 0.52 -0.34 1.22 -2.16 -0.54 0.00 0.00 174.62 173.32 3mlx s PRO 164 N -3.26 3.84 0.04 3.99 0.04 -1.26 -4.73 135.00 133.66 3mlx s PRO 164 Ca 0.62 1.94 0.07 0.00 0.04 0.00 0.00 61.00 63.67 3mlx s PRO 164 Cb -0.10 -2.57 -0.02 0.00 0.04 0.00 0.00 34.50 31.85 3mlx s PRO 164 CO 0.15 -0.53 -0.20 -1.54 0.04 0.00 0.00 177.00 174.92 3mlx s SER 165 N -1.09 2.42 0.12 6.66 1.04 0.42 -4.92 113.70 118.36 3mlx s SER 165 Ca 0.61 -0.51 -0.30 0.00 0.48 0.00 0.00 55.95 56.22 3mlx s SER 165 Cb -0.33 -0.20 -0.07 0.00 0.10 0.00 0.00 66.02 65.52 3mlx s SER 165 CO 0.41 0.16 1.23 -0.75 0.98 0.00 0.00 173.24 175.26 3mlx s LYS 166 N -1.15 4.44 0.74 4.02 2.20 -1.26 -0.96 119.74 127.77 3mlx s LYS 166 Ca 0.07 1.87 -0.07 0.00 -0.36 0.00 0.00 55.97 57.48 3mlx s LYS 166 Cb -0.09 -3.29 0.09 0.00 -1.51 0.00 0.00 37.83 33.04 3mlx s LYS 166 CO 0.02 -0.22 1.04 -0.65 -0.36 0.00 0.00 175.35 175.18 3mlx s GLN 167 N 0.53 1.88 0.45 4.03 -0.21 0.60 -4.91 119.66 122.02 3mlx s GLN 167 Ca 0.57 -0.47 0.13 0.00 0.02 0.00 0.00 55.36 55.61 3mlx s GLN 167 Cb -0.32 -2.17 1.00 0.00 1.00 0.00 0.00 33.01 32.52 3mlx s GLN 167 CO 0.32 -1.43 2.02 0.66 -2.12 0.00 0.00 175.29 174.74 3mlx h SER 168 N -0.71 0.11 -0.21 5.90 4.64 -1.96 -1.40 113.55 119.93 3mlx h SER 168 Ca -0.43 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 3mlx h SER 168 Cb 1.29 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 3mlx h SER 168 CO 0.53 0.21 0.00 -0.46 -0.87 0.00 0.00 176.83 176.23 3mlx n ASN 169 N -4.38 1.40 0.00 4.97 2.04 -1.26 -4.89 115.26 113.14 3mlx n ASN 169 Ca -0.02 -2.06 0.00 0.00 -0.44 0.00 0.00 54.58 52.07 3mlx n ASN 169 Cb 0.19 -0.23 0.00 0.00 -2.53 0.00 0.00 39.78 37.22 3mlx n ASN 169 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 3mlx n ASN 170 N 0.14 0.00 -2.91 0.53 3.02 -0.53 -5.00 115.26 110.51 3mlx n ASN 170 Ca 0.07 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.53 3mlx n ASN 170 Cb 0.25 -0.83 0.06 0.00 -0.61 0.00 0.00 39.78 38.65 3mlx n ASN 170 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3mlx n LYS 171 N -2.00 0.06 -4.39 3.52 5.02 -1.26 -4.72 118.16 114.39 3mlx n LYS 171 Ca 0.00 -0.97 -0.24 0.00 -2.02 0.00 0.00 58.31 55.08 3mlx n LYS 171 Cb 0.00 -0.35 -0.11 0.00 -0.02 0.00 0.00 35.03 34.55 3mlx n LYS 171 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 3mlx s TYR 172 N -1.40 2.09 0.10 2.13 1.51 0.62 -0.29 117.35 122.10 3mlx s TYR 172 Ca 0.27 -0.41 0.05 0.00 -1.01 0.00 0.00 57.07 55.97 3mlx s TYR 172 Cb -0.01 -1.01 -0.04 0.00 -0.11 0.00 0.00 41.96 40.80 3mlx s TYR 172 CO 0.18 0.47 -0.13 0.00 -1.11 0.00 0.00 175.55 174.96 3mlx s ALA 173 N -2.04 1.31 0.21 3.71 0.00 -0.13 -1.78 121.76 123.04 3mlx s ALA 173 Ca 0.21 -1.20 -0.22 0.00 0.00 0.00 0.00 51.96 50.75 3mlx s ALA 173 Cb -0.06 -0.05 0.05 0.00 0.00 0.00 0.00 23.12 23.06 3mlx s ALA 173 CO 0.09 0.07 0.69 0.00 0.00 0.00 0.00 175.76 176.62 3mlx s ALA 174 N -2.04 -1.43 -0.02 0.00 0.00 0.56 -0.43 121.76 118.40 3mlx s ALA 174 Ca 0.05 0.11 -0.09 0.00 0.00 0.00 0.00 51.96 52.04 3mlx s ALA 174 Cb -0.05 0.84 0.01 0.00 0.00 0.00 0.00 23.12 23.91 3mlx s ALA 174 CO 0.02 -0.91 0.19 -1.54 0.00 0.00 0.00 175.76 173.51 3mlx s SER 175 N -2.83 -0.07 -0.04 0.00 1.04 -1.26 -0.60 113.70 109.93 3mlx s SER 175 Ca 0.07 -0.01 0.03 0.00 0.48 0.00 0.00 55.95 56.52 3mlx s SER 175 Cb -0.03 0.28 0.00 0.00 0.10 0.00 0.00 66.02 66.37 3mlx s SER 175 CO -0.02 -0.31 -0.13 -0.55 0.98 0.00 0.00 173.24 173.20 3mlx s SER 176 N -1.02 1.77 -0.09 7.02 0.15 -0.14 -0.90 113.70 120.48 3mlx s SER 176 Ca -0.11 -0.29 0.03 0.00 0.70 0.00 0.00 55.95 56.28 3mlx s SER 176 Cb -0.06 -0.58 -0.01 0.00 -1.71 0.00 0.00 66.02 63.66 3mlx s SER 176 CO 0.02 0.09 -0.18 -0.31 1.20 0.00 0.00 173.24 174.06 3mlx s TYR 177 N 0.26 2.66 -0.25 3.44 1.51 0.83 -1.01 117.35 124.79 3mlx s TYR 177 Ca -0.07 -0.67 -0.01 0.00 -1.01 0.00 0.00 57.07 55.31 3mlx s TYR 177 Cb -0.12 -1.73 0.03 0.00 -0.11 0.00 0.00 41.96 40.04 3mlx s TYR 177 CO 0.02 -0.19 -0.07 -1.17 -1.11 0.00 0.00 175.55 173.02 3mlx s LEU 178 N 0.06 3.21 -0.17 -1.29 2.96 -0.60 -1.02 118.68 121.83 3mlx s LEU 178 Ca -0.08 -0.96 -0.18 0.00 -0.22 0.00 0.00 54.13 52.69 3mlx s LEU 178 Cb -0.15 -1.64 -0.04 0.00 0.50 0.00 0.00 46.19 44.87 3mlx s LEU 178 CO 0.05 -0.14 0.51 -0.44 -1.32 0.00 0.00 176.35 175.01 3mlx s SER 179 N 1.29 6.61 0.18 3.68 0.01 -0.16 -0.80 113.70 124.51 3mlx s SER 179 Ca -0.01 0.73 0.04 0.00 1.31 0.00 0.00 55.95 58.02 3mlx s SER 179 Cb -0.17 -2.29 -0.05 0.00 0.21 0.00 0.00 66.02 63.72 3mlx s SER 179 CO -0.05 -0.11 -0.05 -0.76 0.41 0.00 0.00 173.24 172.67 3mlx s LEU 180 N 1.26 2.36 0.40 2.44 1.43 0.60 -4.66 118.68 122.51 3mlx s LEU 180 Ca 0.25 -1.10 -0.09 0.00 -1.03 0.00 0.00 54.13 52.16 3mlx s LEU 180 Cb -0.15 -0.27 -0.06 0.00 0.03 0.00 0.00 46.19 45.74 3mlx s LEU 180 CO 0.10 -0.43 0.74 0.42 0.23 0.00 0.00 176.35 177.41 3mlx s THR 181 N -3.42 4.84 0.40 5.49 -4.23 -1.26 -2.65 115.64 114.82 3mlx s THR 181 Ca 0.21 0.47 0.11 0.00 -1.18 0.00 0.00 61.69 61.30 3mlx s THR 181 Cb 0.04 -3.76 0.32 0.00 1.34 0.00 0.00 72.50 70.45 3mlx s THR 181 CO 0.04 -0.55 1.96 -0.65 -0.54 0.00 0.00 174.62 174.87 3mlx h PRO 182 N 1.14 0.52 -0.31 3.99 0.11 -1.84 -1.65 132.00 133.96 3mlx h PRO 182 Ca -0.47 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 65.50 3mlx h PRO 182 Cb 1.19 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 3mlx h PRO 182 CO 0.64 0.34 -0.25 1.05 -0.21 0.00 0.00 178.00 179.57 3mlx h GLU 183 N 0.54 0.61 -0.39 1.05 9.09 -1.98 -1.56 114.58 121.95 3mlx h GLU 183 Ca 0.31 -0.24 -0.06 0.00 0.05 0.00 0.00 59.36 59.42 3mlx h GLU 183 Cb 0.51 -0.03 -0.01 0.00 -1.65 0.00 0.00 28.75 27.57 3mlx h GLU 183 CO -0.10 0.81 0.01 1.96 0.05 0.00 0.00 179.01 181.74 3mlx h GLN 184 N 0.54 0.68 -0.15 1.06 4.20 -1.70 0.91 115.11 120.65 3mlx h GLN 184 Ca 0.07 -0.21 0.01 0.00 0.06 0.00 0.00 58.65 58.58 3mlx h GLN 184 Cb 0.71 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.42 3mlx h GLN 184 CO 0.05 0.77 0.08 2.35 -0.67 0.00 0.00 178.83 181.41 3mlx h TRP 185 N 0.51 0.15 0.00 2.96 -0.00 -1.26 -2.80 115.95 115.51 3mlx h TRP 185 Ca 0.11 0.01 0.00 0.00 -0.00 0.00 0.00 58.89 59.01 3mlx h TRP 185 Cb 0.45 -0.05 0.00 0.00 -0.00 0.00 0.00 29.16 29.57 3mlx h TRP 185 CO 0.03 0.09 0.00 0.87 -0.00 0.00 0.00 178.44 179.43 3mlx h LYS 186 N 0.17 0.00 -0.02 2.65 1.57 -1.22 -3.26 116.57 116.46 3mlx h LYS 186 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3mlx h LYS 186 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 3mlx h LYS 186 CO -0.03 0.00 0.00 0.43 -0.57 0.00 0.00 179.45 179.28 3mlx n SER 187 N -3.09 0.93 -4.45 0.86 7.64 0.31 -4.83 113.62 110.98 3mlx n SER 187 Ca 0.03 -1.35 -0.28 0.00 1.01 0.00 0.00 58.87 58.28 3mlx n SER 187 Cb 0.45 -0.01 -0.11 0.00 -1.01 0.00 0.00 64.21 63.52 3mlx n SER 187 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 3mlx s HIS 188 N -1.98 2.39 0.06 1.43 3.76 -1.18 -5.03 115.29 114.75 3mlx s HIS 188 Ca 0.40 -0.33 0.16 0.00 -0.15 0.00 0.00 55.06 55.14 3mlx s HIS 188 Cb 0.20 -1.21 0.35 0.00 1.11 0.00 0.00 32.58 33.03 3mlx s HIS 188 CO 0.33 0.46 1.58 0.00 -0.85 0.00 0.00 174.74 176.25 3mlx h ARG 189 N 3.35 0.00 -1.85 1.40 3.08 -1.88 -3.43 114.38 115.06 3mlx h ARG 189 Ca -0.48 0.00 0.21 0.00 0.07 0.00 0.00 59.98 59.79 3mlx h ARG 189 Cb 1.19 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 31.10 3mlx h ARG 189 CO 0.47 0.51 0.67 -1.54 -1.07 0.00 0.00 179.97 179.01 3mlx s SER 190 N -6.50 -0.19 0.07 7.04 1.04 -1.26 -4.42 113.70 109.47 3mlx s SER 190 Ca 0.01 -0.09 0.06 0.00 0.48 0.00 0.00 55.95 56.41 3mlx s SER 190 Cb 0.10 0.27 -0.03 0.00 0.10 0.00 0.00 66.02 66.46 3mlx s SER 190 CO 0.73 -0.47 -0.16 -0.31 0.98 0.00 0.00 173.24 174.01 3mlx s TYR 191 N -2.76 1.40 0.00 5.02 1.51 -0.69 -0.02 117.35 121.81 3mlx s TYR 191 Ca 0.09 -0.42 0.04 0.00 -1.01 0.00 0.00 57.07 55.77 3mlx s TYR 191 Cb 0.00 -0.80 -0.01 0.00 -0.11 0.00 0.00 41.96 41.04 3mlx s TYR 191 CO -0.05 0.09 -0.12 -1.12 -1.11 0.00 0.00 175.55 173.25 3mlx s SER 192 N -1.60 1.39 -0.28 2.29 0.01 0.51 -1.98 113.70 114.05 3mlx s SER 192 Ca 0.02 -0.27 -0.04 0.00 1.31 0.00 0.00 55.95 56.96 3mlx s SER 192 Cb -0.09 -0.13 0.02 0.00 0.21 0.00 0.00 66.02 66.02 3mlx s SER 192 CO 0.02 0.10 0.02 0.00 0.41 0.00 0.00 173.24 173.79 3mlx s GLN 194 N 1.41 3.22 -0.26 0.00 -0.21 0.40 -1.63 119.66 122.60 3mlx s GLN 194 Ca 0.01 -0.72 -0.06 0.00 0.02 0.00 0.00 55.36 54.61 3mlx s GLN 194 Cb -0.17 -2.92 -0.01 0.00 1.00 0.00 0.00 33.01 30.91 3mlx s GLN 194 CO -0.01 -0.23 0.05 0.08 -2.12 0.00 0.00 175.29 173.06 3mlx s VAL 195 N 1.42 4.00 -0.22 1.09 1.01 0.16 -0.97 120.40 126.90 3mlx s VAL 195 Ca 0.05 -0.39 -0.10 0.00 0.00 0.00 0.00 61.98 61.54 3mlx s VAL 195 Cb -0.14 -2.92 -0.05 0.00 0.00 0.00 0.00 36.38 33.27 3mlx s VAL 195 CO -0.05 0.28 0.14 -0.89 0.00 0.00 0.00 175.10 174.58 3mlx s THR 196 N 1.55 5.35 -0.03 3.92 2.01 0.22 -0.84 115.64 127.83 3mlx s THR 196 Ca 0.05 0.17 -0.01 0.00 0.31 0.00 0.00 61.69 62.22 3mlx s THR 196 Cb -0.15 -3.47 0.03 0.00 0.01 0.00 0.00 72.50 68.92 3mlx s THR 196 CO 0.02 0.39 0.04 -2.28 -0.69 0.00 0.00 174.62 172.10 3mlx s HIS 197 N 0.72 0.04 -1.53 4.92 5.04 0.35 -1.86 115.29 122.98 3mlx s HIS 197 Ca 0.08 0.19 -0.12 0.00 -1.54 0.00 0.00 55.06 53.67 3mlx s HIS 197 Cb -0.12 -0.36 0.08 0.00 0.04 0.00 0.00 32.58 32.22 3mlx s HIS 197 CO 0.01 -0.14 0.91 0.39 -2.34 0.00 0.00 174.74 173.58 3mlx n GLU 198 N 4.74 -5.12 -0.19 2.88 -0.58 -1.26 -1.04 120.64 120.06 3mlx n GLU 198 Ca -0.16 0.57 0.00 0.00 -0.42 0.00 0.00 57.16 57.15 3mlx n GLU 198 Cb 0.50 -5.38 0.00 0.00 -0.57 0.00 0.00 31.44 25.99 3mlx n GLU 198 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3mlx n GLY 199 N -1.66 2.24 3.69 0.62 0.00 -1.26 -5.00 105.19 103.82 3mlx n GLY 199 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 3mlx n GLY 199 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3mlx s SER 200 N -3.55 5.42 -0.19 1.61 0.01 -0.21 -5.10 113.70 111.69 3mlx s SER 200 Ca 0.00 0.16 -0.04 0.00 1.31 0.00 0.00 55.95 57.37 3mlx s SER 200 Cb 0.00 -1.66 -0.02 0.00 0.21 0.00 0.00 66.02 64.55 3mlx s SER 200 CO 0.00 0.33 -0.02 -0.89 0.41 0.00 0.00 173.24 173.08 3mlx s THR 201 N -0.61 3.81 -0.21 1.44 2.01 -1.26 -0.50 115.64 120.32 3mlx s THR 201 Ca 0.10 -0.36 -0.05 0.00 0.31 0.00 0.00 61.69 61.69 3mlx s THR 201 Cb -0.12 -2.71 -0.02 0.00 0.01 0.00 0.00 72.50 69.66 3mlx s THR 201 CO 0.02 0.44 -0.00 -0.69 -0.69 0.00 0.00 174.62 173.70 3mlx s VAL 202 N 0.97 3.87 0.14 3.82 1.01 -0.02 -4.93 120.40 125.26 3mlx s VAL 202 Ca 0.01 -0.34 0.07 0.00 0.00 0.00 0.00 61.98 61.72 3mlx s VAL 202 Cb -0.14 -2.76 -0.04 0.00 0.00 0.00 0.00 36.38 33.44 3mlx s VAL 202 CO 0.01 0.42 -0.15 -1.83 0.00 0.00 0.00 175.10 173.55 3mlx s GLU 203 N 1.16 1.11 0.05 2.72 -1.05 -1.26 -0.66 118.70 120.76 3mlx s GLU 203 Ca 0.03 -1.32 0.03 0.00 -0.15 0.00 0.00 54.97 53.56 3mlx s GLU 203 Cb -0.14 -1.00 -0.02 0.00 -0.44 0.00 0.00 34.13 32.52 3mlx s GLU 203 CO 0.01 0.19 -0.10 0.15 0.95 0.00 0.00 175.26 176.46 3mlx s LYS 204 N -2.85 0.64 0.01 -4.83 -0.14 -0.65 -5.00 119.74 106.93 3mlx s LYS 204 Ca 0.12 -0.79 0.03 0.00 -1.36 0.00 0.00 55.97 53.97 3mlx s LYS 204 Cb -0.04 -0.51 -0.01 0.00 -1.68 0.00 0.00 37.83 35.58 3mlx s LYS 204 CO 0.04 0.11 -0.10 0.99 -0.76 0.00 0.00 175.35 175.63 3mlx s THR 205 N -1.24 0.76 0.10 2.17 2.01 -1.26 -1.25 115.64 116.94 3mlx s THR 205 Ca -0.06 -0.65 0.04 0.00 0.31 0.00 0.00 61.69 61.34 3mlx s THR 205 Cb -0.09 -0.68 -0.04 0.00 0.01 0.00 0.00 72.50 71.70 3mlx s THR 205 CO 0.01 0.04 -0.11 0.68 -0.69 0.00 0.00 174.62 174.55 3mlx s VAL 206 N -0.57 1.07 0.06 3.82 -7.23 -0.84 -5.00 120.40 111.72 3mlx s VAL 206 Ca 0.01 -1.66 0.04 0.00 -1.81 0.00 0.00 61.98 58.56 3mlx s VAL 206 Cb -0.06 -1.41 -0.03 0.00 0.56 0.00 0.00 36.38 35.45 3mlx s VAL 206 CO 0.00 -0.50 -0.11 0.00 -0.31 0.00 0.00 175.10 174.18 3mlx s ALA 207 N -2.31 0.92 0.31 1.32 0.00 -1.26 -1.70 121.76 119.04 3mlx s ALA 207 Ca 0.06 -0.90 0.08 0.00 0.00 0.00 0.00 51.96 51.21 3mlx s ALA 207 Cb -0.04 -0.04 0.49 0.00 0.00 0.00 0.00 23.12 23.53 3mlx s ALA 207 CO 0.01 0.09 1.71 -1.00 0.00 0.00 0.00 175.76 176.57 3mlx h PRO 208 N 4.39 0.16 0.00 0.00 0.13 -1.83 -3.50 132.00 131.35 3mlx h PRO 208 Ca -0.39 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3mlx h PRO 208 Cb 1.20 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3mlx h PRO 208 CO 0.40 0.57 0.00 -2.37 -0.23 0.00 0.00 178.00 176.37