#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 0.49 -3.24 2.46 2.07 -1.95 -3.41 116.25 112.67 3mlx h VAL 3 Ca 0.00 -0.67 -0.60 0.00 0.82 0.00 0.00 66.70 66.25 3mlx h VAL 3 Cb 0.00 1.46 -0.11 0.00 -1.52 0.00 0.00 31.29 31.12 3mlx h VAL 3 CO 0.00 0.13 -0.43 -0.76 0.02 0.00 0.00 177.57 176.53 3mlx s LEU 4 N -6.99 4.23 -0.17 2.57 1.43 -1.26 -4.51 118.68 113.98 3mlx s LEU 4 Ca -0.02 0.35 -0.02 0.00 -1.03 0.00 0.00 54.13 53.42 3mlx s LEU 4 Cb 0.12 -2.19 -0.01 0.00 0.03 0.00 0.00 46.19 44.14 3mlx s LEU 4 CO 0.59 0.17 -0.10 -0.89 0.23 0.00 0.00 176.35 176.34 3mlx s THR 5 N 0.30 3.07 0.14 5.49 2.01 0.02 -3.67 115.64 123.00 3mlx s THR 5 Ca 0.12 -0.62 0.09 0.00 0.31 0.00 0.00 61.69 61.58 3mlx s THR 5 Cb -0.12 -2.34 -0.04 0.00 0.01 0.00 0.00 72.50 70.02 3mlx s THR 5 CO 0.01 0.48 -0.20 -1.10 -0.69 0.00 0.00 174.62 173.12 3mlx s GLN 6 N 0.95 1.24 0.45 4.92 -0.21 -1.26 -0.99 119.66 124.75 3mlx s GLN 6 Ca -0.02 -1.32 -0.23 0.00 0.02 0.00 0.00 55.36 53.81 3mlx s GLN 6 Cb -0.15 -1.42 -0.08 0.00 1.00 0.00 0.00 33.01 32.36 3mlx s GLN 6 CO -0.01 0.31 1.17 -1.25 -2.12 0.00 0.00 175.29 173.40 3mlx s PRO 7 N -2.40 3.81 0.49 2.91 0.04 -1.26 -4.79 135.00 133.81 3mlx s PRO 7 Ca 0.12 1.81 0.22 0.00 0.04 0.00 0.00 61.00 63.19 3mlx s PRO 7 Cb -0.08 -2.47 1.28 0.00 0.04 0.00 0.00 34.50 33.27 3mlx s PRO 7 CO 0.06 -0.51 2.04 -1.00 0.04 0.00 0.00 177.00 177.63 3mlx h PRO 8 N 2.18 0.00 -2.68 0.56 0.13 -1.97 -3.36 132.00 126.85 3mlx h PRO 8 Ca -0.49 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.60 3mlx h PRO 8 Cb 1.25 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.23 3mlx h PRO 8 CO 0.61 0.15 0.18 -1.54 -0.23 0.00 0.00 178.00 177.16 3mlx s SER 9 N -6.49 -0.57 0.02 1.44 1.04 -1.26 -1.22 113.70 106.65 3mlx s SER 9 Ca -0.03 0.23 -0.14 0.00 0.48 0.00 0.00 55.95 56.49 3mlx s SER 9 Cb 0.14 0.57 0.02 0.00 0.10 0.00 0.00 66.02 66.85 3mlx s SER 9 CO 0.63 -0.83 0.31 0.54 0.98 0.00 0.00 173.24 174.87 3mlx s VAL 11 N -2.82 0.07 0.09 5.02 0.11 -0.50 -4.89 120.40 117.48 3mlx s VAL 11 Ca -0.03 -0.59 -0.16 0.00 -2.93 0.00 0.00 61.98 58.27 3mlx s VAL 11 Cb -0.01 -0.79 0.03 0.00 -1.53 0.00 0.00 36.38 34.08 3mlx s VAL 11 CO -0.05 -0.32 0.38 -0.94 -3.33 0.00 0.00 175.10 170.85 3mlx s SER 12 N -1.73 -0.22 0.06 3.54 1.04 -1.26 -1.94 113.70 113.19 3mlx s SER 12 Ca -0.09 -0.23 -0.27 0.00 0.48 0.00 0.00 55.95 55.84 3mlx s SER 12 Cb -0.03 0.44 0.09 0.00 0.10 0.00 0.00 66.02 66.62 3mlx s SER 12 CO 0.00 -0.77 0.89 0.00 0.98 0.00 0.00 173.24 174.35 3mlx s ALA 13 N -3.30 -1.75 0.63 5.32 0.00 -1.05 -4.99 121.76 116.62 3mlx s ALA 13 Ca -0.00 0.67 -0.10 0.00 0.00 0.00 0.00 51.96 52.52 3mlx s ALA 13 Cb 0.01 0.53 -0.02 0.00 0.00 0.00 0.00 23.12 23.63 3mlx s ALA 13 CO -0.08 -0.82 1.02 0.00 0.00 0.00 0.00 175.76 175.88 3mlx s ALA 14 N -3.23 3.09 0.47 0.00 0.00 -1.26 -0.53 121.76 120.30 3mlx s ALA 14 Ca 0.07 -0.22 -0.24 0.00 0.00 0.00 0.00 51.96 51.57 3mlx s ALA 14 Cb -0.01 -3.00 -0.08 0.00 0.00 0.00 0.00 23.12 20.03 3mlx s ALA 14 CO -0.05 -0.77 1.39 -0.35 0.00 0.00 0.00 175.76 175.97 3mlx n PRO 15 N -2.76 2.07 0.00 0.00 -0.04 -1.26 -1.89 135.00 131.12 3mlx n PRO 15 Ca 0.06 0.74 0.00 0.00 -0.04 0.00 0.00 63.50 64.26 3mlx n PRO 15 Cb 0.55 -2.57 0.00 0.00 -0.04 0.00 0.00 33.50 31.44 3mlx n PRO 15 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3mlx n GLY 16 N 0.66 2.56 0.00 0.55 0.00 -0.03 -4.86 105.19 104.07 3mlx n GLY 16 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 3mlx n GLY 16 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3mlx n GLN 17 N -2.00 0.70 -4.22 1.61 6.02 -0.79 -3.84 117.38 114.85 3mlx n GLN 17 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.86 3mlx n GLN 17 Cb 0.00 0.00 -0.10 0.00 1.02 0.00 0.00 30.24 31.16 3mlx n GLN 17 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 3mlx s LYS 18 N -1.97 1.00 0.07 -1.09 -2.85 -1.26 -1.25 119.74 112.39 3mlx s LYS 18 Ca 0.00 -1.44 -0.01 0.00 -1.00 0.00 0.00 55.97 53.53 3mlx s LYS 18 Cb 0.00 -0.41 -0.04 0.00 -2.06 0.00 0.00 37.83 35.32 3mlx s LYS 18 CO 0.00 -0.00 -0.02 0.14 0.10 0.00 0.00 175.35 175.56 3mlx s VAL 19 N -3.50 0.29 -0.04 1.79 -7.23 0.28 -4.90 120.40 107.09 3mlx s VAL 19 Ca 0.17 -1.85 0.03 0.00 -1.81 0.00 0.00 61.98 58.52 3mlx s VAL 19 Cb 0.04 -1.65 0.00 0.00 0.56 0.00 0.00 36.38 35.34 3mlx s VAL 19 CO -0.00 -0.88 -0.12 -0.89 -0.31 0.00 0.00 175.10 172.89 3mlx s THR 20 N -3.89 1.06 -0.18 5.32 2.01 -1.26 -1.50 115.64 117.20 3mlx s THR 20 Ca 0.11 -0.50 0.01 0.00 0.31 0.00 0.00 61.69 61.62 3mlx s THR 20 Cb 0.07 -0.94 0.03 0.00 0.01 0.00 0.00 72.50 71.67 3mlx s THR 20 CO -0.07 0.32 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.39 3mlx s ILE 21 N 0.23 1.90 0.30 1.82 1.01 0.78 -4.97 121.20 122.28 3mlx s ILE 21 Ca -0.05 -0.94 -0.05 0.00 0.00 0.00 0.00 60.65 59.61 3mlx s ILE 21 Cb -0.11 -1.79 -0.05 0.00 0.01 0.00 0.00 42.46 40.52 3mlx s ILE 21 CO 0.02 0.42 0.57 -0.94 0.00 0.00 0.00 174.94 175.00 3mlx s SER 22 N 1.33 6.44 -0.21 3.58 1.04 -1.26 -0.24 113.70 124.39 3mlx s SER 22 Ca 0.03 0.73 -0.04 0.00 0.48 0.00 0.00 55.95 57.14 3mlx s SER 22 Cb -0.14 -2.15 0.07 0.00 0.10 0.00 0.00 66.02 63.90 3mlx s SER 22 CO -0.11 -0.21 0.10 0.00 0.98 0.00 0.00 173.24 173.99 3mlx s SER 24 N 2.08 6.06 0.00 0.00 0.15 -0.16 -0.32 113.70 121.52 3mlx s SER 24 Ca 0.04 0.22 0.00 0.00 0.70 0.00 0.00 55.95 56.91 3mlx s SER 24 Cb -0.16 -2.04 0.00 0.00 -1.71 0.00 0.00 66.02 62.11 3mlx s SER 24 CO -0.18 0.21 0.00 0.61 1.20 0.00 0.00 173.24 175.09 3mlx n GLY 25 N 3.28 5.65 0.00 9.45 0.00 0.03 -0.80 105.19 122.80 3mlx n GLY 25 Ca -0.17 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 44.98 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 -1.25 -4.86 113.62 112.53 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 -1.27 113.62 118.54 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 -0.13 4.04 6.94 -1.26 -0.68 115.26 124.17 3mlx n ASN 27 Ca 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 54.58 54.59 3mlx n ASN 27 Cb 0.00 0.00 0.33 0.00 -2.36 0.00 0.00 39.78 37.75 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 1.14 -0.58 1.53 2.04 -1.74 0.40 117.51 120.29 3mlx h ILE 28 Ca 0.00 -0.28 -0.04 0.00 1.00 0.00 0.00 64.86 65.55 3mlx h ILE 28 Cb 0.00 0.26 -0.03 0.00 -0.74 0.00 0.00 36.82 36.32 3mlx h ILE 28 CO 0.00 0.15 0.21 1.23 0.00 0.00 0.00 178.15 179.74 3mlx h GLY 29 N 0.80 0.91 0.00 5.37 0.00 -1.32 -3.28 103.07 105.55 3mlx h GLY 29 Ca 0.23 -0.48 0.00 0.00 0.00 0.00 0.00 47.33 47.09 3mlx h GLY 29 CO -0.05 0.45 -1.51 -2.01 0.00 0.00 0.00 176.54 173.41 3mlx n ASN 30 N -4.31 1.10 -4.36 0.19 2.85 -0.93 -4.96 115.26 104.85 3mlx n ASN 30 Ca 0.05 -0.21 -0.21 0.00 -0.11 0.00 0.00 54.58 54.09 3mlx n ASN 30 Cb 0.18 1.57 -0.11 0.00 1.24 0.00 0.00 39.78 42.67 3mlx n ASN 30 CO 0.00 0.00 0.00 0.20 -2.11 0.00 0.00 177.26 175.35 3mlx s ASN 31 N -3.57 2.76 0.16 1.20 0.01 0.13 -5.04 114.94 110.60 3mlx s ASN 31 Ca -0.03 -0.94 -0.30 0.00 -0.71 0.00 0.00 52.86 50.88 3mlx s ASN 31 Cb 0.11 -0.17 -0.07 0.00 0.41 0.00 0.00 41.25 41.53 3mlx s ASN 31 CO 0.68 -0.07 0.94 -0.04 -1.51 0.00 0.00 177.10 177.10 3mlx s MET 32 N -3.20 4.75 0.16 -0.60 -1.94 -1.26 -4.45 119.30 112.75 3mlx s MET 32 Ca 0.20 1.44 -0.18 0.00 -1.71 0.00 0.00 55.69 55.44 3mlx s MET 32 Cb -0.04 -3.34 -0.07 0.00 2.01 0.00 0.00 34.83 33.39 3mlx s MET 32 CO 0.08 0.35 0.63 0.08 -0.01 0.00 0.00 175.02 176.15 3mlx s VAL 33 N -0.50 4.69 0.12 -6.03 1.01 -1.26 -4.62 120.40 113.82 3mlx s VAL 33 Ca 0.44 1.14 0.09 0.00 0.00 0.00 0.00 61.98 63.64 3mlx s VAL 33 Cb -0.24 -3.84 -0.04 0.00 0.00 0.00 0.00 36.38 32.26 3mlx s VAL 33 CO 0.30 0.32 -0.21 -0.94 0.00 0.00 0.00 175.10 174.57 3mlx s SER 34 N -1.52 2.65 0.11 3.32 1.04 0.06 -0.81 113.70 118.55 3mlx s SER 34 Ca 0.38 -0.74 0.07 0.00 0.48 0.00 0.00 55.95 56.14 3mlx s SER 34 Cb -0.17 -0.15 -0.04 0.00 0.10 0.00 0.00 66.02 65.76 3mlx s SER 34 CO 0.20 0.05 -0.18 0.26 0.98 0.00 0.00 173.24 174.55 3mlx s TRP 35 N -1.38 1.63 0.06 5.02 0.52 0.15 -1.00 118.94 123.94 3mlx s TRP 35 Ca 0.09 -0.46 0.03 0.00 0.02 0.00 0.00 56.10 55.79 3mlx s TRP 35 Cb -0.09 -0.87 -0.03 0.00 -1.15 0.00 0.00 33.47 31.33 3mlx s TRP 35 CO 0.05 0.20 -0.10 0.71 0.02 0.00 0.00 176.95 177.83 3mlx s TYR 36 N -1.53 0.89 -0.13 -1.98 1.51 0.40 0.08 117.35 116.60 3mlx s TYR 36 Ca 0.07 -0.51 0.01 0.00 -1.01 0.00 0.00 57.07 55.63 3mlx s TYR 36 Cb -0.08 -0.52 -0.01 0.00 -0.11 0.00 0.00 41.96 41.24 3mlx s TYR 36 CO 0.04 -0.03 -0.15 -1.14 -1.11 0.00 0.00 175.55 173.16 3mlx s GLN 37 N -1.78 3.32 -0.15 -0.62 0.74 -0.14 -1.52 119.66 119.50 3mlx s GLN 37 Ca -0.06 -0.72 -0.01 0.00 0.05 0.00 0.00 55.36 54.62 3mlx s GLN 37 Cb -0.09 -2.58 0.04 0.00 1.10 0.00 0.00 33.01 31.48 3mlx s GLN 37 CO 0.01 0.19 -0.03 -1.14 -0.55 0.00 0.00 175.29 173.77 3mlx s GLN 38 N 0.39 1.14 0.16 1.67 0.74 0.18 -0.42 119.66 123.52 3mlx s GLN 38 Ca -0.12 -0.35 -0.20 0.00 0.05 0.00 0.00 55.36 54.75 3mlx s GLN 38 Cb -0.16 -1.77 -0.08 0.00 1.10 0.00 0.00 33.01 32.10 3mlx s GLN 38 CO 0.06 -0.43 0.67 -1.01 -0.55 0.00 0.00 175.29 174.03 3mlx s HIS 39 N 1.75 3.73 0.18 1.67 3.76 -1.26 -1.42 115.29 123.70 3mlx s HIS 39 Ca 0.02 1.36 -0.33 0.00 -0.15 0.00 0.00 55.06 55.96 3mlx s HIS 39 Cb -0.15 -2.58 -0.15 0.00 1.11 0.00 0.00 32.58 30.81 3mlx s HIS 39 CO -0.07 0.45 1.23 -0.35 -0.85 0.00 0.00 174.74 175.14 3mlx n PRO 40 N 1.15 1.36 -0.72 8.40 -0.04 -1.26 -1.55 135.00 142.34 3mlx n PRO 40 Ca -0.05 0.48 0.00 0.00 -0.04 0.00 0.00 63.50 63.89 3mlx n PRO 40 Cb 0.51 -2.02 0.00 0.00 -0.04 0.00 0.00 33.50 31.94 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 2.08 1.25 3.40 0.55 0.00 -1.26 -5.02 105.19 106.19 3mlx n GLY 41 Ca 0.14 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.96 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 -3.59 1.78 0.58 2.61 -4.23 -0.60 -5.14 115.64 107.05 3mlx s THR 42 Ca 0.00 -2.19 -0.17 0.00 -1.18 0.00 0.00 61.69 58.15 3mlx s THR 42 Cb 0.00 -2.28 -0.04 0.00 1.34 0.00 0.00 72.50 71.52 3mlx s THR 42 CO 0.00 -0.43 1.09 0.00 -0.54 0.00 0.00 174.62 174.74 3mlx s ALA 43 N -2.94 2.67 0.61 3.99 0.00 -1.26 -4.56 121.76 120.27 3mlx s ALA 43 Ca 0.27 0.58 -0.19 0.00 0.00 0.00 0.00 51.96 52.62 3mlx s ALA 43 Cb 0.01 -3.29 -0.02 0.00 0.00 0.00 0.00 23.12 19.81 3mlx s ALA 43 CO 0.10 -0.86 1.32 -2.14 0.00 0.00 0.00 175.76 174.18 3mlx s PRO 44 N -3.74 2.74 -0.11 0.00 0.02 -1.26 -4.68 135.00 127.97 3mlx s PRO 44 Ca 0.68 2.12 0.03 0.00 0.02 0.00 0.00 61.00 63.84 3mlx s PRO 44 Cb -0.19 -1.98 -0.00 0.00 0.02 0.00 0.00 34.50 32.35 3mlx s PRO 44 CO 0.33 -1.47 -0.21 0.21 -0.33 0.00 0.00 177.00 175.54 3mlx s LYS 45 N -3.23 3.14 0.10 5.54 2.20 0.44 -4.92 119.74 123.00 3mlx s LYS 45 Ca 0.79 -0.82 -0.31 0.00 -0.36 0.00 0.00 55.97 55.27 3mlx s LYS 45 Cb -0.38 -2.39 -0.09 0.00 -1.51 0.00 0.00 37.83 33.45 3mlx s LYS 45 CO 0.42 0.19 1.77 -1.17 -0.36 0.00 0.00 175.35 176.20 3mlx s LEU 46 N 0.33 4.39 -0.19 5.43 2.96 -1.26 -0.97 118.68 129.36 3mlx s LEU 46 Ca -0.16 2.64 -0.04 0.00 -0.22 0.00 0.00 54.13 56.35 3mlx s LEU 46 Cb -0.17 -3.56 -0.10 0.00 0.50 0.00 0.00 46.19 42.85 3mlx s LEU 46 CO 0.08 -0.96 -0.21 0.18 -1.32 0.00 0.00 176.35 174.12 3mlx n LEU 47 N 5.76 2.25 -3.94 -0.68 4.77 0.11 -4.85 117.00 120.43 3mlx n LEU 47 Ca 0.17 0.06 -0.10 0.00 -0.03 0.00 0.00 56.01 56.11 3mlx n LEU 47 Cb 0.39 -0.62 -0.12 0.00 -2.33 0.00 0.00 43.42 40.75 3mlx n LEU 47 CO 0.65 0.63 -0.33 -0.63 -1.33 0.00 0.00 177.39 176.38 3mlx s ILE 48 N -2.37 0.08 0.04 -0.08 -1.09 -1.11 -4.26 121.20 112.40 3mlx s ILE 48 Ca -0.26 -0.66 -0.07 0.00 -2.23 0.00 0.00 60.65 57.43 3mlx s ILE 48 Cb 0.08 -0.23 -0.01 0.00 -1.58 0.00 0.00 42.46 40.72 3mlx s ILE 48 CO 0.39 -0.36 0.12 -0.72 -1.23 0.00 0.00 174.94 173.14 3mlx s TYR 49 N -1.09 0.16 -1.30 3.97 -0.85 -0.17 -0.67 117.35 117.39 3mlx s TYR 49 Ca -0.12 -0.43 -0.01 0.00 -0.52 0.00 0.00 57.07 55.99 3mlx s TYR 49 Cb -0.07 -0.11 0.01 0.00 0.38 0.00 0.00 41.96 42.16 3mlx s TYR 49 CO -0.00 -0.38 0.79 0.39 -1.52 0.00 0.00 175.55 174.83 3mlx n GLU 50 N 0.77 -5.40 0.00 -3.49 1.02 -1.10 -0.96 120.64 111.48 3mlx n GLU 50 Ca -0.19 0.67 0.00 0.00 -0.02 0.00 0.00 57.16 57.62 3mlx n GLU 50 Cb 0.58 -5.36 0.00 0.00 -0.02 0.00 0.00 31.44 26.64 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 -3.06 0.00 0.00 1.62 3.02 0.01 -3.89 115.26 112.97 3mlx n ASN 51 Ca -0.27 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.28 3mlx n ASN 51 Cb 0.66 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.83 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 0.91 0.00 -4.79 6.41 3.41 -1.20 -2.51 113.62 115.86 3mlx n SER 52 Ca 0.00 -1.00 -0.38 0.00 -0.26 0.00 0.00 58.87 57.23 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 4.50 -0.18 4.33 1.02 -0.13 -4.57 119.74 124.71 3mlx s LYS 53 Ca 0.00 1.12 -0.04 0.00 0.02 0.00 0.00 55.97 57.07 3mlx s LYS 53 Cb 0.00 -3.11 -0.02 0.00 -0.52 0.00 0.00 37.83 34.18 3mlx s LYS 53 CO 0.00 0.49 -0.04 1.03 -0.92 0.00 0.00 175.35 175.91 3mlx s ARG 54 N -1.46 3.52 0.80 1.68 0.52 -1.26 -1.00 118.95 121.75 3mlx s ARG 54 Ca 0.39 -0.58 -0.11 0.00 -0.52 0.00 0.00 55.73 54.92 3mlx s ARG 54 Cb -0.21 -2.95 0.07 0.00 0.52 0.00 0.00 34.95 32.39 3mlx s ARG 54 CO 0.25 0.04 1.09 -1.25 0.02 0.00 0.00 175.30 175.45 3mlx s PRO 55 N 0.89 2.04 0.36 3.54 0.04 -1.26 -4.90 135.00 135.69 3mlx s PRO 55 Ca -0.01 1.12 -0.27 0.00 0.04 0.00 0.00 61.00 61.88 3mlx s PRO 55 Cb -0.15 -1.88 -0.12 0.00 0.04 0.00 0.00 34.50 32.40 3mlx s PRO 55 CO 0.01 -1.78 1.27 0.45 0.04 0.00 0.00 177.00 176.99 3mlx n SER 56 N -3.61 2.63 0.00 6.66 2.88 -1.26 -2.19 113.62 118.73 3mlx n SER 56 Ca 0.09 1.19 0.00 0.00 -1.33 0.00 0.00 58.87 58.81 3mlx n SER 56 Cb 0.53 -1.48 0.00 0.00 -0.75 0.00 0.00 64.21 62.52 3mlx n SER 56 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3mlx n GLY 57 N 0.80 3.25 3.58 0.46 0.00 -1.26 -5.04 105.19 106.99 3mlx n GLY 57 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.76 5.08 0.58 -0.61 -1.09 -0.93 -5.05 121.20 116.42 3mlx s ILE 58 Ca 0.00 0.49 -0.20 0.00 -2.23 0.00 0.00 60.65 58.71 3mlx s ILE 58 Cb 0.00 -3.85 -0.04 0.00 -1.58 0.00 0.00 42.46 36.99 3mlx s ILE 58 CO 0.00 -0.05 1.28 -0.81 -1.23 0.00 0.00 174.94 174.13 3mlx n PRO 59 N 5.56 1.40 0.00 2.79 -0.04 -1.26 -4.85 135.00 138.60 3mlx n PRO 59 Ca -0.06 0.52 0.04 0.00 -0.04 0.00 0.00 63.50 63.96 3mlx n PRO 59 Cb 0.50 -2.49 0.18 0.00 -0.04 0.00 0.00 33.50 31.65 3mlx n PRO 59 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3mlx n ASP 60 N -1.21 0.00 0.00 3.54 5.68 -1.26 -2.02 116.55 121.28 3mlx n ASP 60 Ca 0.13 0.27 0.09 0.00 -0.50 0.00 0.00 54.79 54.78 3mlx n ASP 60 Cb 0.46 -0.35 0.45 0.00 -1.14 0.00 0.00 41.12 40.54 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 -1.35 0.14 -3.77 0.11 1.85 -1.26 -4.44 116.66 107.94 3mlx n ARG 61 Ca 0.03 0.14 -0.36 0.00 -1.00 0.00 0.00 57.85 56.66 3mlx n ARG 61 Cb 0.07 -1.50 -0.10 0.00 -1.05 0.00 0.00 32.46 29.88 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 -2.79 3.25 0.05 2.89 0.40 -0.86 -1.88 117.98 119.04 3mlx s PHE 62 Ca 0.14 0.07 0.01 0.00 -0.60 0.00 0.00 56.93 56.55 3mlx s PHE 62 Cb 0.13 -2.22 -0.03 0.00 0.51 0.00 0.00 43.02 41.41 3mlx s PHE 62 CO 0.33 0.01 -0.05 -1.54 0.70 0.00 0.00 175.22 174.67 3mlx s SER 63 N 1.00 0.59 0.06 1.36 1.04 0.07 -4.96 113.70 112.85 3mlx s SER 63 Ca 0.06 -0.72 0.02 0.00 0.48 0.00 0.00 55.95 55.79 3mlx s SER 63 Cb -0.14 0.11 -0.03 0.00 0.10 0.00 0.00 66.02 66.06 3mlx s SER 63 CO 0.04 -0.38 -0.08 -0.83 0.98 0.00 0.00 173.24 172.97 3mlx s GLY 64 N -2.11 0.60 0.08 7.32 0.00 -1.26 0.25 107.32 112.21 3mlx s GLY 64 Ca -0.04 -0.94 -0.17 0.00 0.00 0.00 0.00 44.72 43.57 3mlx s GLY 64 CO -0.04 -1.00 0.39 -1.35 0.00 0.00 0.00 173.10 171.10 3mlx s SER 65 N -1.98 -0.23 -0.05 1.64 1.04 -0.72 -4.08 113.70 109.32 3mlx s SER 65 Ca -0.04 -0.18 0.02 0.00 0.48 0.00 0.00 55.95 56.23 3mlx s SER 65 Cb -0.06 0.44 0.01 0.00 0.10 0.00 0.00 66.02 66.51 3mlx s SER 65 CO -0.01 -0.75 -0.09 -0.60 0.98 0.00 0.00 173.24 172.78 3mlx s ARG 66 N -3.12 1.17 -0.10 4.02 3.00 -1.26 -1.07 118.95 121.59 3mlx s ARG 66 Ca -0.01 -0.27 -0.03 0.00 -1.00 0.00 0.00 55.73 54.41 3mlx s ARG 66 Cb 0.01 -1.05 0.05 0.00 0.00 0.00 0.00 34.95 33.96 3mlx s ARG 66 CO -0.07 0.02 0.15 0.45 0.00 0.00 0.00 175.30 175.85 3mlx s SER 67 N 0.61 0.95 1.68 -2.12 0.15 -0.36 -5.02 113.70 109.59 3mlx s SER 67 Ca -0.10 0.20 0.00 0.00 0.70 0.00 0.00 55.95 56.74 3mlx s SER 67 Cb -0.13 0.21 0.00 0.00 -1.71 0.00 0.00 66.02 64.38 3mlx s SER 67 CO 0.02 -0.26 0.00 0.61 1.20 0.00 0.00 173.24 174.81 3mlx n GLY 68 N 5.32 2.78 1.48 9.45 0.00 -1.26 -2.18 105.19 120.79 3mlx n GLY 68 Ca -0.05 -0.24 0.07 0.00 0.00 0.00 0.00 46.02 45.81 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 2.58 -4.21 2.61 -2.24 -1.26 -4.02 114.28 107.74 3mlx n THR 69 Ca 0.00 -1.62 -0.19 0.00 -2.27 0.00 0.00 64.05 59.97 3mlx n THR 69 Cb 0.00 -0.27 -0.12 0.00 -2.10 0.00 0.00 70.33 67.84 3mlx n THR 69 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3mlx s SER 70 N -1.28 1.89 0.17 3.42 0.01 -0.92 -0.79 113.70 116.20 3mlx s SER 70 Ca 0.50 -0.69 0.08 0.00 1.31 0.00 0.00 55.95 57.15 3mlx s SER 70 Cb 0.39 -0.07 -0.04 0.00 0.21 0.00 0.00 66.02 66.51 3mlx s SER 70 CO 0.13 -0.08 -0.17 0.00 0.41 0.00 0.00 173.24 173.53 3mlx s ALA 71 N -1.54 1.95 -0.02 1.44 0.00 0.57 -1.22 121.76 122.95 3mlx s ALA 71 Ca 0.03 -1.51 0.00 0.00 0.00 0.00 0.00 51.96 50.48 3mlx s ALA 71 Cb -0.08 -0.15 0.01 0.00 0.00 0.00 0.00 23.12 22.91 3mlx s ALA 71 CO 0.03 0.17 -0.01 0.99 0.00 0.00 0.00 175.76 176.95 3mlx s THR 72 N -2.30 0.14 -0.18 0.00 2.01 -0.23 -0.33 115.64 114.74 3mlx s THR 72 Ca 0.17 0.02 -0.06 0.00 0.31 0.00 0.00 61.69 62.13 3mlx s THR 72 Cb -0.04 -0.19 -0.03 0.00 0.01 0.00 0.00 72.50 72.24 3mlx s THR 72 CO 0.06 0.09 0.02 -0.22 -0.69 0.00 0.00 174.62 173.89 3mlx s LEU 73 N 0.53 3.53 -0.06 4.42 2.96 0.67 -1.76 118.68 128.98 3mlx s LEU 73 Ca -0.05 -0.05 0.04 0.00 -0.22 0.00 0.00 54.13 53.85 3mlx s LEU 73 Cb -0.08 -1.89 -0.02 0.00 0.50 0.00 0.00 46.19 44.70 3mlx s LEU 73 CO -0.01 0.14 -0.16 -0.83 -1.32 0.00 0.00 176.35 174.16 3mlx s GLY 74 N 0.58 1.49 -0.07 7.98 0.00 0.14 -0.15 107.32 117.29 3mlx s GLY 74 Ca 0.01 -0.99 -0.01 0.00 0.00 0.00 0.00 44.72 43.73 3mlx s GLY 74 CO 0.02 -0.70 -0.00 -0.42 0.00 0.00 0.00 173.10 172.00 3mlx s ILE 75 N -0.53 0.40 0.43 0.90 1.01 -0.56 -0.75 121.20 122.10 3mlx s ILE 75 Ca 0.07 0.10 0.07 0.00 0.00 0.00 0.00 60.65 60.89 3mlx s ILE 75 Cb -0.11 -0.55 -0.04 0.00 0.01 0.00 0.00 42.46 41.77 3mlx s ILE 75 CO 0.01 0.26 0.19 0.27 0.00 0.00 0.00 174.94 175.68 3mlx s ILE 76 N 1.90 2.16 -1.48 2.92 -4.36 -0.79 -0.56 121.20 120.99 3mlx s ILE 76 Ca 0.04 -1.69 -0.04 0.00 -0.26 0.00 0.00 60.65 58.70 3mlx s ILE 76 Cb -0.12 -2.85 0.03 0.00 1.25 0.00 0.00 42.46 40.77 3mlx s ILE 76 CO -0.05 0.00 0.46 0.61 0.24 0.00 0.00 174.94 176.20 3mlx n GLY 77 N -1.30 -0.26 3.55 6.27 0.00 -0.80 -4.79 105.19 107.87 3mlx n GLY 77 Ca -0.02 0.15 -0.51 0.00 0.00 0.00 0.00 46.02 45.64 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 -4.42 1.07 -4.39 0.99 4.77 -0.38 -4.48 117.00 110.16 3mlx n LEU 78 Ca -0.23 1.14 -0.28 0.00 -0.03 0.00 0.00 56.01 56.61 3mlx n LEU 78 Cb 0.65 -1.14 -0.13 0.00 -2.33 0.00 0.00 43.42 40.47 3mlx n LEU 78 CO 0.78 -1.50 -0.56 -1.10 -1.33 0.00 0.00 177.39 173.69 3mlx s GLN 79 N -0.23 1.40 0.34 3.23 -0.21 -1.26 -0.85 119.66 122.08 3mlx s GLN 79 Ca 0.77 -1.37 0.10 0.00 0.02 0.00 0.00 55.36 54.87 3mlx s GLN 79 Cb -0.94 -1.86 0.85 0.00 1.00 0.00 0.00 33.01 32.06 3mlx s GLN 79 CO 0.52 0.43 1.80 1.15 -2.12 0.00 0.00 175.29 177.08 3mlx h THR 80 N 3.76 0.70 0.00 -0.19 2.02 -1.95 0.11 112.91 117.37 3mlx h THR 80 Ca -0.50 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 66.46 3mlx h THR 80 Cb 1.18 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.58 3mlx h THR 80 CO 0.41 0.12 0.00 0.61 0.37 0.00 0.00 175.52 177.03 3mlx n GLY 81 N -1.39 -0.71 0.05 2.16 0.00 -1.26 -1.97 105.19 102.07 3mlx n GLY 81 Ca 0.22 -0.04 0.13 0.00 0.00 0.00 0.00 46.02 46.34 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 -1.40 0.42 -4.69 1.61 8.00 0.37 -4.81 116.55 116.05 3mlx n ASP 82 Ca 0.03 0.51 -0.42 0.00 0.71 0.00 0.00 54.79 55.62 3mlx n ASP 82 Cb 0.09 -0.61 -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 -3.05 4.13 0.00 -1.24 2.02 -0.83 -4.86 118.70 114.86 3mlx s GLU 83 Ca 0.12 2.62 0.00 0.00 0.02 0.00 0.00 54.97 57.73 3mlx s GLU 83 Cb 0.16 -3.55 0.00 0.00 0.10 0.00 0.00 34.13 30.84 3mlx s GLU 83 CO 0.57 -0.84 0.00 0.00 0.02 0.00 0.00 175.26 175.01 3mlx n ALA 84 N 5.55 0.00 -2.78 5.21 0.00 -1.20 -4.86 120.51 122.43 3mlx n ALA 84 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.27 3mlx n ALA 84 Cb 0.38 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.74 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 -1.54 4.00 -0.09 0.00 2.56 -0.51 -1.26 118.70 121.87 3mlx s GLU 85 Ca 0.00 -0.26 0.01 0.00 0.00 0.00 0.00 54.97 54.72 3mlx s GLU 85 Cb 0.00 -3.31 -0.03 0.00 2.00 0.00 0.00 34.13 32.80 3mlx s GLU 85 CO 0.00 0.35 -0.09 0.71 -0.56 0.00 0.00 175.26 175.67 3mlx s TYR 86 N 0.18 2.88 0.06 5.30 1.51 0.63 -0.65 117.35 127.27 3mlx s TYR 86 Ca 0.07 -0.16 0.06 0.00 -1.01 0.00 0.00 57.07 56.03 3mlx s TYR 86 Cb -0.12 -1.75 -0.03 0.00 -0.11 0.00 0.00 41.96 39.96 3mlx s TYR 86 CO -0.01 0.17 -0.18 0.71 -1.11 0.00 0.00 175.55 175.13 3mlx s TYR 87 N -0.44 1.55 0.26 2.71 1.51 -0.58 -0.74 117.35 121.62 3mlx s TYR 87 Ca 0.06 -0.39 0.09 0.00 -1.01 0.00 0.00 57.07 55.83 3mlx s TYR 87 Cb -0.12 -0.90 -0.04 0.00 -0.11 0.00 0.00 41.96 40.79 3mlx s TYR 87 CO 0.02 0.10 -0.00 0.00 -1.11 0.00 0.00 175.55 174.56 3mlx s ALA 89 N -2.25 -1.84 0.16 0.00 0.00 -0.17 -0.85 121.76 116.81 3mlx s ALA 89 Ca 0.31 1.21 -0.23 0.00 0.00 0.00 0.00 51.96 53.25 3mlx s ALA 89 Cb -0.07 0.03 0.08 0.00 0.00 0.00 0.00 23.12 23.16 3mlx s ALA 89 CO 0.20 -0.53 1.07 -0.08 0.00 0.00 0.00 175.76 176.42 3mlx s THR 90 N -2.28 0.00 0.08 0.00 -1.32 -0.96 -0.76 115.64 110.41 3mlx s THR 90 Ca 0.01 -0.53 -0.20 0.00 -1.21 0.00 0.00 61.69 59.76 3mlx s THR 90 Cb -0.01 -2.95 -0.07 0.00 -1.51 0.00 0.00 72.50 67.97 3mlx s THR 90 CO -0.04 0.00 0.58 0.86 -2.21 0.00 0.00 174.62 173.82 3mlx s TRP 91 N -2.10 3.81 -0.00 9.09 -0.11 -1.26 -0.64 118.94 127.73 3mlx s TRP 91 Ca 0.23 1.30 0.05 0.00 1.22 0.00 0.00 56.10 58.90 3mlx s TRP 91 Cb -0.02 -2.51 -0.03 0.00 -1.50 0.00 0.00 33.47 29.40 3mlx s TRP 91 CO 0.05 0.58 -0.13 0.34 -4.62 0.00 0.00 176.95 173.16 3mlx s ASP 92 N -1.12 4.12 0.65 5.86 -1.08 -0.19 -4.35 116.67 120.56 3mlx s ASP 92 Ca 0.30 -0.27 0.28 0.00 -0.52 0.00 0.00 52.55 52.34 3mlx s ASP 92 Cb -0.20 -0.83 1.49 0.00 -1.46 0.00 0.00 42.92 41.93 3mlx s ASP 92 CO 0.20 0.29 1.85 1.23 0.52 0.00 0.00 175.17 179.26 3mlx h GLY 93 N 4.81 0.00 0.37 2.66 0.00 -1.21 0.22 103.07 109.92 3mlx h GLY 93 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 3mlx h GLY 93 CO 0.50 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.90 3mlx n SER 94 N -2.99 0.00 -2.14 0.19 3.41 -1.26 -4.86 113.62 105.97 3mlx n SER 94 Ca -0.00 -1.06 -0.03 0.00 -0.26 0.00 0.00 58.87 57.52 3mlx n SER 94 Cb 0.47 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.43 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 -0.69 -3.63 -3.62 1.04 4.77 0.77 -5.09 117.00 110.55 3mlx n LEU 95 Ca 0.06 -0.16 -0.04 0.00 -0.03 0.00 0.00 56.01 55.85 3mlx n LEU 95 Cb 0.03 -1.72 -0.03 0.00 -2.33 0.00 0.00 43.42 39.36 3mlx n LEU 95 CO 0.04 -0.19 1.08 0.00 -1.33 0.00 0.00 177.39 176.99 3mlx s ARG 95 N -3.28 0.18 0.14 3.23 1.70 -1.17 -5.01 118.95 114.74 3mlx s ARG 95 Ca 0.09 -0.02 -0.27 0.00 -0.47 0.00 0.00 55.73 55.06 3mlx s ARG 95 Cb -0.01 0.08 -0.07 0.00 -0.57 0.00 0.00 34.95 34.38 3mlx s ARG 95 CO 0.29 -0.07 0.85 0.99 -1.08 0.00 0.00 175.30 176.28 3mlx s THR 96 N -1.64 4.43 -0.00 4.99 2.01 -1.26 -1.02 115.64 123.15 3mlx s THR 96 Ca 0.09 1.85 0.08 0.00 0.31 0.00 0.00 61.69 64.02 3mlx s THR 96 Cb -0.01 -4.22 -0.02 0.00 0.01 0.00 0.00 72.50 68.26 3mlx s THR 96 CO -0.05 0.43 -0.26 0.68 -0.69 0.00 0.00 174.62 174.73 3mlx s VAL 97 N -0.59 2.09 0.06 3.82 -7.23 0.19 -4.92 120.40 113.82 3mlx s VAL 97 Ca 0.40 -1.19 0.05 0.00 -1.81 0.00 0.00 61.98 59.43 3mlx s VAL 97 Cb -0.23 -1.75 -0.04 0.00 0.56 0.00 0.00 36.38 34.93 3mlx s VAL 97 CO 0.27 0.51 -0.09 -0.36 -0.31 0.00 0.00 175.10 175.13 3mlx s PHE 98 N -0.67 2.80 0.94 2.82 0.08 -1.26 -2.26 117.98 120.43 3mlx s PHE 98 Ca 0.11 -0.11 -0.12 0.00 0.12 0.00 0.00 56.93 56.92 3mlx s PHE 98 Cb -0.10 -1.51 0.16 0.00 -0.57 0.00 0.00 43.02 40.99 3mlx s PHE 98 CO -0.00 0.39 1.11 0.20 -0.10 0.00 0.00 175.22 176.83 3mlx s GLY 99 N -1.85 1.58 0.00 4.36 0.00 -0.03 -4.41 107.32 106.97 3mlx s GLY 99 Ca 0.20 -0.41 0.16 0.00 0.00 0.00 0.00 44.72 44.67 3mlx s GLY 99 CO 0.11 0.16 1.52 0.61 0.00 0.00 0.00 173.10 175.50 3mlx n GLY 100 N -1.66 -1.03 0.00 0.20 0.00 -1.24 -4.70 105.19 96.76 3mlx n GLY 100 Ca 0.06 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.17 1.02 3.05 -0.02 0.00 -1.26 -5.04 105.19 103.12 3mlx n GLY 101 Ca 0.04 -1.49 -0.27 0.00 0.00 0.00 0.00 46.02 44.30 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 -1.30 1.41 -0.20 2.61 2.01 0.09 -4.40 115.64 115.86 3mlx s THR 102 Ca 0.00 -0.60 -0.21 0.00 0.31 0.00 0.00 61.69 61.19 3mlx s THR 102 Cb 0.00 -1.28 -0.03 0.00 0.01 0.00 0.00 72.50 71.20 3mlx s THR 102 CO 0.00 0.42 0.62 -0.75 -0.69 0.00 0.00 174.62 174.22 3mlx s LYS 103 N 0.86 4.21 -0.25 4.92 2.20 -0.36 -0.27 119.74 131.06 3mlx s LYS 103 Ca -0.10 0.60 -0.10 0.00 -0.36 0.00 0.00 55.97 56.01 3mlx s LYS 103 Cb -0.15 -3.58 -0.05 0.00 -1.51 0.00 0.00 37.83 32.54 3mlx s LYS 103 CO 0.01 -0.23 0.16 -1.17 -0.36 0.00 0.00 175.35 173.75 3mlx s LEU 104 N 1.89 4.02 -0.12 5.43 2.96 -0.39 -1.41 118.68 131.06 3mlx s LEU 104 Ca 0.28 0.05 0.01 0.00 -0.22 0.00 0.00 54.13 54.25 3mlx s LEU 104 Cb -0.16 -2.09 -0.01 0.00 0.50 0.00 0.00 46.19 44.43 3mlx s LEU 104 CO 0.10 0.03 -0.16 -0.89 -1.32 0.00 0.00 176.35 174.11 3mlx s THR 105 N 1.26 2.79 -0.48 3.68 2.01 -0.82 -3.22 115.64 120.87 3mlx s THR 105 Ca 0.07 -0.76 -0.17 0.00 0.31 0.00 0.00 61.69 61.13 3mlx s THR 105 Cb -0.14 -2.14 0.06 0.00 0.01 0.00 0.00 72.50 70.28 3mlx s THR 105 CO 0.06 0.54 0.51 -0.69 -0.69 0.00 0.00 174.62 174.34 3mlx s VAL 106 N 0.26 5.05 -0.17 3.82 1.01 -1.26 -2.54 120.40 126.57 3mlx s VAL 106 Ca -0.11 -0.67 -0.35 0.00 0.00 0.00 0.00 61.98 60.85 3mlx s VAL 106 Cb -0.16 -4.19 -0.12 0.00 0.00 0.00 0.00 36.38 31.91 3mlx s VAL 106 CO 0.06 -0.65 1.91 0.18 0.00 0.00 0.00 175.10 176.60 3mlx n LEU 106 N 5.71 3.06 0.00 3.92 4.77 0.31 -4.85 117.00 129.92 3mlx n LEU 106 Ca -0.09 0.90 0.00 0.00 -0.03 0.00 0.00 56.01 56.79 3mlx n LEU 106 Cb 0.45 -1.31 0.00 0.00 -2.33 0.00 0.00 43.42 40.23 3mlx n LEU 106 CO 0.50 -0.24 0.25 -1.54 -1.33 0.00 0.00 177.39 175.04 3mlx n SER 107 N 6.98 0.97 -3.61 -1.43 3.41 -1.26 -4.36 113.62 114.33 3mlx n SER 107 Ca 0.26 -1.17 -0.10 0.00 -0.26 0.00 0.00 58.87 57.60 3mlx n SER 107 Cb 0.26 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.17 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 -0.17 1.30 0.35 4.33 -2.07 -1.26 -5.15 119.66 117.00 3mlx s GLN 108 Ca 0.00 -0.70 -0.27 0.00 -1.82 0.00 0.00 55.36 52.57 3mlx s GLN 108 Cb 0.00 0.54 -0.12 0.00 -1.09 0.00 0.00 33.01 32.34 3mlx s GLN 108 CO 0.00 -0.55 1.25 -2.30 -1.32 0.00 0.00 175.29 172.37 3mlx n PRO 109 N -0.34 2.01 -2.03 9.60 -0.02 -1.26 -4.92 135.00 138.04 3mlx n PRO 109 Ca -0.13 0.71 -0.39 0.00 -2.02 0.00 0.00 63.50 61.66 3mlx n PRO 109 Cb 0.63 -2.29 -0.00 0.00 -0.02 0.00 0.00 33.50 31.82 3mlx n PRO 109 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3mlx s LYS 110 N -1.91 3.93 -0.07 -0.52 1.02 -1.26 -4.86 119.74 116.06 3mlx s LYS 110 Ca 0.57 2.18 0.00 0.00 0.02 0.00 0.00 55.97 58.74 3mlx s LYS 110 Cb -0.57 -2.73 0.02 0.00 -0.52 0.00 0.00 37.83 34.03 3mlx s LYS 110 CO 0.61 -0.54 -0.05 0.00 -0.92 0.00 0.00 175.35 174.46 3mlx s ALA 111 N -1.26 0.91 0.39 5.17 0.00 0.49 -4.93 121.76 122.53 3mlx s ALA 111 Ca 0.58 -0.24 -0.25 0.00 0.00 0.00 0.00 51.96 52.05 3mlx s ALA 111 Cb -0.38 -0.65 -0.09 0.00 0.00 0.00 0.00 23.12 21.99 3mlx s ALA 111 CO 0.49 -0.23 1.07 0.00 0.00 0.00 0.00 175.76 177.10 3mlx s ALA 112 N 1.39 3.11 0.42 0.00 0.00 -1.26 -0.78 121.76 124.64 3mlx s ALA 112 Ca -0.03 0.75 -0.25 0.00 0.00 0.00 0.00 51.96 52.44 3mlx s ALA 112 Cb -0.13 -3.29 -0.08 0.00 0.00 0.00 0.00 23.12 19.61 3mlx s ALA 112 CO -0.03 -0.26 1.19 -1.25 0.00 0.00 0.00 175.76 175.42 3mlx s PRO 113 N -2.39 3.96 -0.13 0.00 0.04 -1.26 -4.50 135.00 130.72 3mlx s PRO 113 Ca 0.57 1.89 -0.14 0.00 0.04 0.00 0.00 61.00 63.35 3mlx s PRO 113 Cb -0.24 -2.62 -0.05 0.00 0.04 0.00 0.00 34.50 31.63 3mlx s PRO 113 CO 0.30 -0.41 0.34 -1.12 0.04 0.00 0.00 177.00 176.14 3mlx s SER 114 N -1.11 6.54 -0.07 6.66 0.01 0.09 -4.90 113.70 120.92 3mlx s SER 114 Ca 0.59 0.63 0.05 0.00 1.31 0.00 0.00 55.95 58.53 3mlx s SER 114 Cb -0.32 -2.21 -0.01 0.00 0.21 0.00 0.00 66.02 63.70 3mlx s SER 114 CO 0.40 0.13 -0.24 -0.69 0.41 0.00 0.00 173.24 173.25 3mlx s VAL 115 N 0.20 2.00 -0.08 3.43 1.01 -1.26 -1.53 120.40 124.17 3mlx s VAL 115 Ca 0.19 -1.01 0.01 0.00 0.00 0.00 0.00 61.98 61.17 3mlx s VAL 115 Cb -0.14 -1.71 0.02 0.00 0.00 0.00 0.00 36.38 34.55 3mlx s VAL 115 CO 0.06 0.55 -0.11 -0.89 0.00 0.00 0.00 175.10 174.72 3mlx s THR 116 N 0.07 1.10 -0.14 3.92 2.01 -0.66 -4.97 115.64 116.98 3mlx s THR 116 Ca -0.10 -0.42 0.02 0.00 0.31 0.00 0.00 61.69 61.50 3mlx s THR 116 Cb -0.15 -1.04 0.01 0.00 0.01 0.00 0.00 72.50 71.32 3mlx s THR 116 CO 0.06 0.36 -0.21 -0.22 -0.69 0.00 0.00 174.62 173.92 3mlx s LEU 117 N 0.98 2.18 -0.10 4.42 2.96 -1.26 -0.53 118.68 127.33 3mlx s LEU 117 Ca -0.09 -0.57 -0.01 0.00 -0.22 0.00 0.00 54.13 53.24 3mlx s LEU 117 Cb -0.15 -1.47 -0.03 0.00 0.50 0.00 0.00 46.19 45.05 3mlx s LEU 117 CO -0.00 0.09 -0.05 -0.36 -1.32 0.00 0.00 176.35 174.71 3mlx s PHE 118 N 0.75 2.99 0.75 5.38 0.08 0.33 -4.94 117.98 123.32 3mlx s PHE 118 Ca -0.08 -0.09 -0.09 0.00 0.12 0.00 0.00 56.93 56.79 3mlx s PHE 118 Cb -0.16 -1.81 0.08 0.00 -0.57 0.00 0.00 43.02 40.56 3mlx s PHE 118 CO -0.00 0.20 1.08 -1.25 -0.10 0.00 0.00 175.22 175.15 3mlx s PRO 119 N -0.38 2.00 0.53 0.24 0.04 -1.26 -1.47 135.00 134.70 3mlx s PRO 119 Ca 0.06 -0.20 -0.22 0.00 0.04 0.00 0.00 61.00 60.68 3mlx s PRO 119 Cb -0.12 -2.09 -0.05 0.00 0.04 0.00 0.00 34.50 32.27 3mlx s PRO 119 CO 0.02 -1.43 1.31 -2.14 0.04 0.00 0.00 177.00 174.81 3mlx s PRO 120 N -5.38 3.28 0.47 0.56 0.02 -1.21 -4.81 135.00 127.93 3mlx s PRO 120 Ca 0.62 2.13 -0.13 0.00 0.02 0.00 0.00 61.00 63.64 3mlx s PRO 120 Cb -0.10 -2.29 -0.07 0.00 0.02 0.00 0.00 34.50 32.06 3mlx s PRO 120 CO 0.46 -1.04 0.88 -1.54 -0.33 0.00 0.00 177.00 175.43 3mlx s SER 121 N -1.05 6.52 0.35 2.53 1.04 -1.26 -4.94 113.70 116.90 3mlx s SER 121 Ca 0.70 1.31 0.04 0.00 0.48 0.00 0.00 55.95 58.48 3mlx s SER 121 Cb -0.38 -2.40 0.68 0.00 0.10 0.00 0.00 66.02 64.02 3mlx s SER 121 CO 0.45 -0.52 1.98 0.77 0.98 0.00 0.00 173.24 176.90 3mlx h SER 122 N 0.93 0.70 -0.37 7.02 4.64 -1.99 -1.64 113.55 122.84 3mlx h SER 122 Ca -0.47 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 60.84 3mlx h SER 122 Cb 1.19 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 63.10 3mlx h SER 122 CO 0.63 0.48 0.19 -0.33 -0.87 0.00 0.00 176.83 176.93 3mlx h GLU 123 N 0.82 0.52 -0.55 4.77 3.07 -1.99 -1.15 114.58 120.07 3mlx h GLU 123 Ca 0.28 -0.07 -0.05 0.00 -0.50 0.00 0.00 59.36 59.02 3mlx h GLU 123 Cb 0.09 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 27.88 3mlx h GLU 123 CO -0.08 0.45 0.15 1.49 -1.40 0.00 0.00 179.01 179.62 3mlx h GLU 124 N 0.46 0.88 -1.00 2.33 4.81 -1.71 -2.36 114.58 117.99 3mlx h GLU 124 Ca 0.13 -0.20 0.04 0.00 -0.13 0.00 0.00 59.36 59.19 3mlx h GLU 124 Cb 0.09 -0.12 -0.06 0.00 0.63 0.00 0.00 28.75 29.30 3mlx h GLU 124 CO -0.02 0.82 0.65 -0.07 -0.73 0.00 0.00 179.01 179.66 3mlx h LEU 125 N 0.78 1.08 -1.94 1.64 3.38 -1.08 0.16 115.31 119.33 3mlx h LEU 125 Ca 0.17 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 3mlx h LEU 125 Cb 0.32 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 3mlx h LEU 125 CO -0.00 0.74 -0.08 1.56 0.09 0.00 0.00 178.44 180.75 3mlx h GLN 126 N 1.25 0.00 -0.16 1.13 4.20 -0.78 0.69 115.11 121.45 3mlx h GLN 126 Ca 0.40 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.11 3mlx h GLN 126 Cb 0.02 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.80 3mlx h GLN 126 CO -0.13 0.08 0.00 0.00 -0.67 0.00 0.00 178.83 178.11 3mlx n ALA 127 N -2.47 2.50 -2.69 3.87 0.00 0.53 -4.90 120.51 117.35 3mlx n ALA 127 Ca -0.03 -0.33 -0.15 0.00 0.00 0.00 0.00 53.44 52.93 3mlx n ALA 127 Cb 0.16 -1.05 0.02 0.00 0.00 0.00 0.00 19.45 18.58 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 -0.03 -4.63 -4.16 0.00 5.15 0.24 -5.02 115.26 106.80 3mlx n ASN 128 Ca 0.09 -0.17 -0.10 0.00 -0.60 0.00 0.00 54.58 53.80 3mlx n ASN 128 Cb 0.17 -3.54 -0.10 0.00 -0.53 0.00 0.00 39.78 35.78 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 -5.22 0.91 -0.15 1.20 -0.14 -0.97 -4.68 119.74 110.69 3mlx s LYS 129 Ca 0.17 -1.41 -0.07 0.00 -1.36 0.00 0.00 55.97 53.30 3mlx s LYS 129 Cb -0.08 0.05 0.06 0.00 -1.68 0.00 0.00 37.83 36.19 3mlx s LYS 129 CO 0.21 -0.17 0.35 0.00 -0.76 0.00 0.00 175.35 174.98 3mlx s ALA 130 N -3.88 -0.86 -0.05 5.17 0.00 -1.01 -2.95 121.76 118.18 3mlx s ALA 130 Ca 0.20 1.30 -0.00 0.00 0.00 0.00 0.00 51.96 53.46 3mlx s ALA 130 Cb 0.07 -0.89 0.03 0.00 0.00 0.00 0.00 23.12 22.32 3mlx s ALA 130 CO -0.01 -0.34 -0.02 0.99 0.00 0.00 0.00 175.76 176.39 3mlx s THR 131 N 1.60 0.43 -0.18 0.00 2.01 -1.26 -1.13 115.64 117.11 3mlx s THR 131 Ca -0.08 0.01 -0.10 0.00 0.31 0.00 0.00 61.69 61.82 3mlx s THR 131 Cb -0.10 -0.52 -0.05 0.00 0.01 0.00 0.00 72.50 71.85 3mlx s THR 131 CO -0.11 0.23 0.17 -0.76 -0.69 0.00 0.00 174.62 173.46 3mlx s LEU 132 N 1.38 4.25 -0.22 4.42 1.02 -0.47 -3.31 118.68 125.76 3mlx s LEU 132 Ca -0.04 0.34 -0.01 0.00 0.02 0.00 0.00 54.13 54.44 3mlx s LEU 132 Cb -0.13 -2.16 0.01 0.00 0.02 0.00 0.00 46.19 43.93 3mlx s LEU 132 CO -0.03 0.20 -0.10 -0.69 0.02 0.00 0.00 176.35 175.75 3mlx s VAL 133 N 0.15 2.77 -0.31 -1.59 1.01 -0.54 -1.66 120.40 120.23 3mlx s VAL 133 Ca 0.11 -0.83 -0.05 0.00 0.00 0.00 0.00 61.98 61.21 3mlx s VAL 133 Cb -0.12 -2.29 0.03 0.00 0.00 0.00 0.00 36.38 34.01 3mlx s VAL 133 CO 0.00 0.38 0.06 0.00 0.00 0.00 0.00 175.10 175.55 3mlx s LEU 135 N 1.40 4.14 -0.16 0.00 1.43 0.32 -0.54 118.68 125.26 3mlx s LEU 135 Ca -0.01 0.18 0.01 0.00 -1.03 0.00 0.00 54.13 53.28 3mlx s LEU 135 Cb -0.19 -2.08 0.02 0.00 0.03 0.00 0.00 46.19 43.97 3mlx s LEU 135 CO 0.01 0.15 -0.19 -0.63 0.23 0.00 0.00 176.35 175.92 3mlx s ILE 136 N 0.56 1.94 0.16 -0.59 1.01 0.56 -1.64 121.20 123.19 3mlx s ILE 136 Ca 0.07 -0.87 -0.03 0.00 0.00 0.00 0.00 60.65 59.83 3mlx s ILE 136 Cb -0.12 -1.75 -0.03 0.00 0.01 0.00 0.00 42.46 40.57 3mlx s ILE 136 CO 0.00 0.52 0.13 -0.94 0.00 0.00 0.00 174.94 174.65 3mlx s SER 137 N 1.23 0.21 -1.44 3.58 1.04 -0.58 -0.23 113.70 117.51 3mlx s SER 137 Ca 0.02 -1.19 -0.10 0.00 0.48 0.00 0.00 55.95 55.17 3mlx s SER 137 Cb -0.14 0.35 0.03 0.00 0.10 0.00 0.00 66.02 66.37 3mlx s SER 137 CO -0.10 -0.80 1.00 0.47 0.98 0.00 0.00 173.24 174.80 3mlx n ASP 138 N -0.17 -5.81 -4.71 7.02 8.00 -0.51 -0.73 116.55 119.64 3mlx n ASP 138 Ca -0.04 -0.56 -0.28 0.00 0.71 0.00 0.00 54.79 54.62 3mlx n ASP 138 Cb 0.64 -4.61 -0.07 0.00 -0.02 0.00 0.00 41.12 37.05 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 -3.27 3.00 -0.26 1.24 -0.71 -0.93 -4.47 117.98 112.57 3mlx s PHE 139 Ca 0.56 -0.05 -0.14 0.00 -1.04 0.00 0.00 56.93 56.25 3mlx s PHE 139 Cb -0.26 -1.49 0.08 0.00 -1.21 0.00 0.00 43.02 40.14 3mlx s PHE 139 CO 0.69 0.50 0.63 -0.47 -1.34 0.00 0.00 175.22 175.23 3mlx s TYR 140 N -1.54 -0.98 0.86 3.49 5.04 0.04 -0.71 117.35 123.54 3mlx s TYR 140 Ca 0.28 1.97 -0.13 0.00 -2.44 0.00 0.00 57.07 56.75 3mlx s TYR 140 Cb -0.11 0.57 0.07 0.00 0.35 0.00 0.00 41.96 42.84 3mlx s TYR 140 CO 0.20 -0.50 0.88 -2.30 -1.34 0.00 0.00 175.55 172.49 3mlx n PRO 141 N 4.35 -0.07 -1.51 4.97 -0.02 -1.26 -0.38 135.00 141.09 3mlx n PRO 141 Ca -0.20 0.05 -0.40 0.00 -2.02 0.00 0.00 63.50 60.92 3mlx n PRO 141 Cb 0.58 -2.18 -0.02 0.00 -0.02 0.00 0.00 33.50 31.87 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 0.91 4.30 3.33 -1.23 0.00 -1.26 -4.80 105.19 106.45 3mlx n GLY 142 Ca 0.11 -1.53 -0.09 0.00 0.00 0.00 0.00 46.02 44.51 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 2.72 -1.23 0.05 4.61 0.00 -1.26 -4.80 121.76 121.84 3mlx s ALA 143 Ca 0.58 1.68 -0.04 0.00 0.00 0.00 0.00 51.96 54.18 3mlx s ALA 143 Cb 0.16 -1.15 -0.02 0.00 0.00 0.00 0.00 23.12 22.10 3mlx s ALA 143 CO -0.07 -0.46 0.04 0.14 0.00 0.00 0.00 175.76 175.41 3mlx s VAL 144 N 1.87 0.17 -0.07 0.00 -7.23 -1.26 -4.68 120.40 109.19 3mlx s VAL 144 Ca -0.07 -1.39 0.04 0.00 -1.81 0.00 0.00 61.98 58.75 3mlx s VAL 144 Cb -0.09 -1.17 -0.00 0.00 0.56 0.00 0.00 36.38 35.68 3mlx s VAL 144 CO -0.14 -0.77 -0.21 -0.89 -0.31 0.00 0.00 175.10 172.78 3mlx s THR 145 N -3.25 1.79 -0.07 5.32 2.01 -0.78 -4.98 115.64 115.68 3mlx s THR 145 Ca 0.01 -0.89 0.02 0.00 0.31 0.00 0.00 61.69 61.14 3mlx s THR 145 Cb 0.03 -1.55 -0.02 0.00 0.01 0.00 0.00 72.50 70.97 3mlx s THR 145 CO -0.08 0.50 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.53 3mlx s VAL 146 N 0.18 3.12 -0.02 3.82 1.01 -1.26 -0.80 120.40 126.46 3mlx s VAL 146 Ca -0.11 -0.68 0.01 0.00 0.00 0.00 0.00 61.98 61.20 3mlx s VAL 146 Cb -0.15 -2.25 0.01 0.00 0.00 0.00 0.00 36.38 33.99 3mlx s VAL 146 CO 0.05 0.57 -0.03 0.00 0.00 0.00 0.00 175.10 175.70 3mlx s ALA 147 N -0.46 0.38 0.11 5.51 0.00 -0.15 -4.99 121.76 122.15 3mlx s ALA 147 Ca 0.06 -0.03 0.05 0.00 0.00 0.00 0.00 51.96 52.04 3mlx s ALA 147 Cb -0.12 -0.22 -0.04 0.00 0.00 0.00 0.00 23.12 22.74 3mlx s ALA 147 CO 0.02 0.02 0.03 -1.58 0.00 0.00 0.00 175.76 174.25 3mlx s TRP 148 N 0.46 3.04 -0.01 0.00 0.52 -1.26 -0.17 118.94 121.51 3mlx s TRP 148 Ca -0.05 -0.02 0.04 0.00 0.02 0.00 0.00 56.10 56.09 3mlx s TRP 148 Cb -0.08 -1.53 -0.01 0.00 -1.15 0.00 0.00 33.47 30.70 3mlx s TRP 148 CO -0.01 0.50 -0.12 0.15 0.02 0.00 0.00 176.95 177.50 3mlx s LYS 149 N -2.50 0.96 -0.36 4.98 -0.14 -0.33 -0.91 119.74 121.44 3mlx s LYS 149 Ca 0.27 -0.41 -0.08 0.00 -1.36 0.00 0.00 55.97 54.39 3mlx s LYS 149 Cb -0.11 -0.93 0.05 0.00 -1.68 0.00 0.00 37.83 35.16 3mlx s LYS 149 CO 0.20 0.24 0.16 0.00 -0.76 0.00 0.00 175.35 175.19 3mlx s ALA 150 N -0.24 3.15 0.00 5.17 0.00 0.17 -0.95 121.76 129.06 3mlx s ALA 150 Ca 0.04 -1.83 0.00 0.00 0.00 0.00 0.00 51.96 50.16 3mlx s ALA 150 Cb -0.05 -2.42 0.00 0.00 0.00 0.00 0.00 23.12 20.65 3mlx s ALA 150 CO -0.00 -1.42 0.00 -0.25 0.00 0.00 0.00 175.76 174.09 3mlx n ASP 151 N 4.87 0.00 -0.84 0.00 8.00 0.77 -0.94 116.55 128.40 3mlx n ASP 151 Ca -0.12 0.00 0.09 0.00 0.71 0.00 0.00 54.79 55.47 3mlx n ASP 151 Cb 0.45 0.00 0.14 0.00 -0.02 0.00 0.00 41.12 41.69 3mlx n ASP 151 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3mlx n SER 152 N 8.10 2.89 -4.85 -2.24 3.41 -1.26 -4.78 113.62 114.88 3mlx n SER 152 Ca 0.00 -1.85 -0.37 0.00 -0.26 0.00 0.00 58.87 56.40 3mlx n SER 152 Cb 0.00 -0.14 -0.06 0.00 -0.26 0.00 0.00 64.21 63.75 3mlx n SER 152 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3mlx s SER 153 N -1.32 6.76 0.13 4.04 0.01 -0.12 -5.05 113.70 118.15 3mlx s SER 153 Ca 0.27 0.92 -0.30 0.00 1.31 0.00 0.00 55.95 58.15 3mlx s SER 153 Cb 0.17 -2.23 -0.07 0.00 0.21 0.00 0.00 66.02 64.10 3mlx s SER 153 CO 0.24 0.26 1.10 -2.16 0.41 0.00 0.00 173.24 173.08 3mlx s PRO 154 N -1.42 4.56 -0.17 12.44 0.04 -1.26 0.43 135.00 149.63 3mlx s PRO 154 Ca 0.28 1.67 -0.01 0.00 0.04 0.00 0.00 61.00 62.98 3mlx s PRO 154 Cb -0.16 -3.32 -0.01 0.00 0.04 0.00 0.00 34.50 31.06 3mlx s PRO 154 CO 0.15 0.00 -0.11 0.54 0.04 0.00 0.00 177.00 177.62 3mlx s VAL 155 N 0.19 2.99 -0.05 -0.36 0.11 -0.08 -4.82 120.40 118.37 3mlx s VAL 155 Ca 0.51 -0.65 0.07 0.00 -2.93 0.00 0.00 61.98 58.98 3mlx s VAL 155 Cb -0.28 -2.29 -0.10 0.00 -1.53 0.00 0.00 36.38 32.18 3mlx s VAL 155 CO 0.32 0.49 0.07 0.54 -3.33 0.00 0.00 175.10 173.19 3mlx n ARG 156 N 4.14 2.09 -2.57 1.54 1.74 -1.26 -4.16 116.66 118.17 3mlx n ARG 156 Ca -0.19 -0.02 -0.37 0.00 -0.77 0.00 0.00 57.85 56.50 3mlx n ARG 156 Cb 0.52 -1.18 -0.04 0.00 -1.02 0.00 0.00 32.46 30.73 3mlx n ARG 156 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3mlx s ALA 157 N -2.28 3.18 0.00 7.54 0.00 -1.26 -3.48 121.76 125.46 3mlx s ALA 157 Ca -0.03 0.71 0.00 0.00 0.00 0.00 0.00 51.96 52.64 3mlx s ALA 157 Cb 0.03 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.88 3mlx s ALA 157 CO 0.30 -0.14 0.00 0.41 0.00 0.00 0.00 175.76 176.34 3mlx n GLY 158 N 0.57 0.81 3.82 0.00 0.00 -1.26 -4.83 105.19 104.30 3mlx n GLY 158 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 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 -3.16 5.30 -0.04 1.61 1.01 -1.23 -1.08 120.40 122.80 3mlx s VAL 159 Ca 0.00 0.50 -0.01 0.00 0.00 0.00 0.00 61.98 62.46 3mlx s VAL 159 Cb 0.00 -3.56 0.03 0.00 0.00 0.00 0.00 36.38 32.85 3mlx s VAL 159 CO 0.00 0.54 0.03 -1.61 0.00 0.00 0.00 175.10 174.06 3mlx s GLU 160 N -0.58 0.15 -0.07 2.72 0.41 -0.68 -5.00 118.70 115.66 3mlx s GLU 160 Ca 0.18 0.25 0.05 0.00 -0.41 0.00 0.00 54.97 55.03 3mlx s GLU 160 Cb -0.14 -0.59 -0.00 0.00 -1.78 0.00 0.00 34.13 31.62 3mlx s GLU 160 CO 0.07 -0.28 -0.22 0.99 -0.49 0.00 0.00 175.26 175.33 3mlx s THR 161 N 1.82 1.86 0.76 3.63 2.01 -1.26 -0.55 115.64 123.91 3mlx s THR 161 Ca 0.01 -0.93 -0.12 0.00 0.31 0.00 0.00 61.69 60.96 3mlx s THR 161 Cb -0.12 -1.60 0.05 0.00 0.01 0.00 0.00 72.50 70.83 3mlx s THR 161 CO -0.03 0.52 1.11 0.42 -0.69 0.00 0.00 174.62 175.95 3mlx s THR 162 N 0.14 3.03 0.70 -0.82 -4.23 -0.38 -5.01 115.64 109.07 3mlx s THR 162 Ca -0.10 0.34 -0.11 0.00 -1.18 0.00 0.00 61.69 60.63 3mlx s THR 162 Cb -0.15 -3.26 0.01 0.00 1.34 0.00 0.00 72.50 70.44 3mlx s THR 162 CO 0.05 -0.44 1.07 0.42 -0.54 0.00 0.00 174.62 175.18 3mlx s THR 163 N -3.35 3.87 0.39 3.99 -4.23 -1.26 -4.65 115.64 110.40 3mlx s THR 163 Ca 0.60 0.61 -0.24 0.00 -1.18 0.00 0.00 61.69 61.47 3mlx s THR 163 Cb -0.12 -3.44 -0.09 0.00 1.34 0.00 0.00 72.50 70.19 3mlx s THR 163 CO 0.52 -0.80 1.04 -2.16 -0.54 0.00 0.00 174.62 172.69 3mlx s PRO 164 N -5.14 4.22 -0.09 3.99 0.04 -1.26 -4.67 135.00 132.09 3mlx s PRO 164 Ca 0.58 1.51 0.03 0.00 0.04 0.00 0.00 61.00 63.16 3mlx s PRO 164 Cb -0.13 -2.58 0.01 0.00 0.04 0.00 0.00 34.50 31.83 3mlx s PRO 164 CO 0.54 -0.09 -0.17 -1.54 0.04 0.00 0.00 177.00 175.77 3mlx s SER 165 N -1.54 2.41 0.10 6.66 1.04 0.57 -4.92 113.70 118.02 3mlx s SER 165 Ca 0.57 -0.43 -0.31 0.00 0.48 0.00 0.00 55.95 56.26 3mlx s SER 165 Cb -0.22 -1.11 -0.07 0.00 0.10 0.00 0.00 66.02 64.72 3mlx s SER 165 CO 0.28 0.08 1.37 -0.75 0.98 0.00 0.00 173.24 175.19 3mlx s LYS 166 N 0.60 4.33 0.77 4.02 2.20 -1.26 -1.35 119.74 129.06 3mlx s LYS 166 Ca -0.15 2.03 -0.02 0.00 -0.36 0.00 0.00 55.97 57.47 3mlx s LYS 166 Cb -0.16 -3.29 0.15 0.00 -1.51 0.00 0.00 37.83 33.02 3mlx s LYS 166 CO 0.05 -0.43 1.06 -0.65 -0.36 0.00 0.00 175.35 175.01 3mlx s GLN 167 N 1.22 1.42 0.24 4.03 -0.21 0.24 -4.95 119.66 121.65 3mlx s GLN 167 Ca 0.64 -1.13 -0.03 0.00 0.02 0.00 0.00 55.36 54.86 3mlx s GLN 167 Cb -0.35 -2.27 0.27 0.00 1.00 0.00 0.00 33.01 31.66 3mlx s GLN 167 CO 0.30 -1.66 1.72 0.66 -2.12 0.00 0.00 175.29 174.18 3mlx h SER 168 N -0.72 0.80 0.00 5.90 4.64 -1.96 -2.50 113.55 119.71 3mlx h SER 168 Ca -0.36 -0.22 0.00 0.00 -0.47 0.00 0.00 61.79 60.74 3mlx h SER 168 Cb 1.26 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 3mlx h SER 168 CO 0.37 0.89 0.00 -0.46 -0.87 0.00 0.00 176.83 176.76 3mlx n ASN 169 N -4.19 0.15 0.00 4.97 2.04 -1.26 -4.78 115.26 112.19 3mlx n ASN 169 Ca 0.02 -1.18 0.00 0.00 -0.44 0.00 0.00 54.58 52.98 3mlx n ASN 169 Cb 0.34 -0.07 0.00 0.00 -2.53 0.00 0.00 39.78 37.51 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 -0.33 -0.74 -4.72 0.53 3.02 -0.94 -4.99 115.26 107.10 3mlx n ASN 170 Ca 0.00 0.00 -0.23 0.00 -0.03 0.00 0.00 54.58 54.32 3mlx n ASN 170 Cb 0.04 -1.20 0.11 0.00 -0.61 0.00 0.00 39.78 38.11 3mlx n ASN 170 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3mlx s LYS 171 N -0.51 1.70 0.29 3.52 1.02 -1.26 -4.78 119.74 119.72 3mlx s LYS 171 Ca 0.00 -1.33 0.08 0.00 0.02 0.00 0.00 55.97 54.74 3mlx s LYS 171 Cb 0.00 -2.39 -0.06 0.00 -0.52 0.00 0.00 37.83 34.86 3mlx s LYS 171 CO 0.00 -1.42 -0.10 0.71 -0.92 0.00 0.00 175.35 173.62 3mlx s TYR 172 N -3.07 2.08 0.03 3.18 1.51 0.11 0.81 117.35 122.00 3mlx s TYR 172 Ca 0.67 -0.58 -0.01 0.00 -1.01 0.00 0.00 57.07 56.14 3mlx s TYR 172 Cb -0.04 -1.12 -0.03 0.00 -0.11 0.00 0.00 41.96 40.66 3mlx s TYR 172 CO 0.44 0.43 -0.02 0.00 -1.11 0.00 0.00 175.55 175.29 3mlx s ALA 173 N -2.83 0.23 0.26 3.71 0.00 -0.45 -1.43 121.76 121.24 3mlx s ALA 173 Ca 0.29 -0.79 -0.20 0.00 0.00 0.00 0.00 51.96 51.26 3mlx s ALA 173 Cb 0.02 0.20 0.02 0.00 0.00 0.00 0.00 23.12 23.36 3mlx s ALA 173 CO 0.13 -0.25 0.67 0.00 0.00 0.00 0.00 175.76 176.31 3mlx s ALA 174 N -2.40 -1.13 0.02 0.00 0.00 0.68 -0.31 121.76 118.62 3mlx s ALA 174 Ca -0.07 -0.28 -0.11 0.00 0.00 0.00 0.00 51.96 51.50 3mlx s ALA 174 Cb -0.03 0.88 0.01 0.00 0.00 0.00 0.00 23.12 23.98 3mlx s ALA 174 CO -0.04 -0.97 0.22 -1.54 0.00 0.00 0.00 175.76 173.43 3mlx s SER 175 N -2.91 -0.04 -0.02 0.00 1.04 -1.26 -0.32 113.70 110.19 3mlx s SER 175 Ca 0.11 -0.22 0.03 0.00 0.48 0.00 0.00 55.95 56.35 3mlx s SER 175 Cb -0.05 0.29 -0.00 0.00 0.10 0.00 0.00 66.02 66.36 3mlx s SER 175 CO 0.04 -0.51 -0.09 -0.55 0.98 0.00 0.00 173.24 173.11 3mlx s SER 176 N -1.79 1.18 -0.06 7.02 0.15 0.30 -1.25 113.70 119.24 3mlx s SER 176 Ca -0.09 -0.18 0.05 0.00 0.70 0.00 0.00 55.95 56.43 3mlx s SER 176 Cb -0.03 -0.25 -0.01 0.00 -1.71 0.00 0.00 66.02 64.02 3mlx s SER 176 CO -0.01 0.08 -0.23 -0.31 1.20 0.00 0.00 173.24 173.98 3mlx s TYR 177 N 0.04 2.50 -0.26 3.44 1.51 0.29 -0.78 117.35 124.09 3mlx s TYR 177 Ca -0.01 -0.66 0.02 0.00 -1.01 0.00 0.00 57.07 55.41 3mlx s TYR 177 Cb -0.07 -1.62 0.05 0.00 -0.11 0.00 0.00 41.96 40.21 3mlx s TYR 177 CO 0.00 -0.17 -0.10 -1.17 -1.11 0.00 0.00 175.55 173.00 3mlx s LEU 178 N -0.18 3.33 -0.11 -1.29 0.20 -0.66 -1.68 118.68 118.29 3mlx s LEU 178 Ca -0.03 -1.25 -0.19 0.00 0.69 0.00 0.00 54.13 53.35 3mlx s LEU 178 Cb -0.14 -1.58 -0.04 0.00 -0.43 0.00 0.00 46.19 44.01 3mlx s LEU 178 CO 0.04 -0.17 0.53 -0.44 -0.29 0.00 0.00 176.35 176.01 3mlx s SER 179 N 1.16 6.74 0.15 3.68 0.01 -0.24 -1.37 113.70 123.84 3mlx s SER 179 Ca -0.06 0.89 -0.01 0.00 1.31 0.00 0.00 55.95 58.08 3mlx s SER 179 Cb -0.19 -2.31 -0.04 0.00 0.21 0.00 0.00 66.02 63.69 3mlx s SER 179 CO -0.05 -0.04 0.06 -0.76 0.41 0.00 0.00 173.24 172.86 3mlx s LEU 180 N 0.74 1.70 0.44 2.44 1.43 -0.29 -4.63 118.68 120.51 3mlx s LEU 180 Ca 0.28 -1.24 -0.07 0.00 -1.03 0.00 0.00 54.13 52.07 3mlx s LEU 180 Cb -0.16 0.26 -0.05 0.00 0.03 0.00 0.00 46.19 46.28 3mlx s LEU 180 CO 0.12 -0.73 0.75 0.42 0.23 0.00 0.00 176.35 177.14 3mlx s THR 181 N -4.01 4.89 0.52 5.49 -4.23 -1.26 -2.41 115.64 114.63 3mlx s THR 181 Ca 0.27 0.29 0.17 0.00 -1.18 0.00 0.00 61.69 61.25 3mlx s THR 181 Cb 0.07 -3.81 0.27 0.00 1.34 0.00 0.00 72.50 70.37 3mlx s THR 181 CO 0.04 -0.69 2.14 -0.65 -0.54 0.00 0.00 174.62 174.92 3mlx h PRO 182 N 0.69 0.00 -0.30 3.99 0.11 -1.83 -2.22 132.00 132.43 3mlx h PRO 182 Ca -0.47 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.52 3mlx h PRO 182 Cb 1.20 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 3mlx h PRO 182 CO 0.63 0.03 -0.29 1.05 -0.21 0.00 0.00 178.00 179.21 3mlx h GLU 183 N 0.00 0.63 -0.17 1.05 9.09 -1.97 -1.34 114.58 121.87 3mlx h GLU 183 Ca -0.00 -0.27 -0.03 0.00 0.05 0.00 0.00 59.36 59.12 3mlx h GLU 183 Cb 0.05 -0.02 -0.01 0.00 -1.65 0.00 0.00 28.75 27.12 3mlx h GLU 183 CO 0.00 0.85 0.00 1.96 0.05 0.00 0.00 179.01 181.87 3mlx h GLN 184 N 0.54 0.29 -0.80 1.06 4.20 -1.79 0.22 115.11 118.83 3mlx h GLN 184 Ca 0.07 -0.09 0.06 0.00 0.06 0.00 0.00 58.65 58.75 3mlx h GLN 184 Cb 0.77 -0.03 -0.06 0.00 0.30 0.00 0.00 27.48 28.46 3mlx h GLN 184 CO 0.06 0.50 0.48 2.35 -0.67 0.00 0.00 178.83 181.55 3mlx h TRP 185 N 0.04 0.88 0.00 2.96 -0.00 -1.37 -2.28 115.95 116.19 3mlx h TRP 185 Ca 0.05 0.03 0.00 0.00 -0.00 0.00 0.00 58.89 58.96 3mlx h TRP 185 Cb 0.37 -0.28 0.00 0.00 -0.00 0.00 0.00 29.16 29.25 3mlx h TRP 185 CO 0.03 0.43 -0.28 0.87 -0.00 0.00 0.00 178.44 179.49 3mlx h LYS 186 N 0.87 0.00 -0.01 2.65 1.57 -1.07 -3.30 116.57 117.28 3mlx h LYS 186 Ca 0.35 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.13 3mlx h LYS 186 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.50 3mlx h LYS 186 CO -0.18 0.00 -0.08 -1.13 -0.57 0.00 0.00 179.45 177.49 3mlx n SER 187 N -2.27 0.76 -4.49 0.86 3.41 0.75 -4.87 113.62 107.77 3mlx n SER 187 Ca 0.04 -0.96 -0.25 0.00 -0.26 0.00 0.00 58.87 57.44 3mlx n SER 187 Cb 0.44 -0.01 -0.10 0.00 -0.26 0.00 0.00 64.21 64.28 3mlx n SER 187 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 3mlx s HIS 188 N -2.25 2.40 0.15 7.33 3.76 -1.19 -5.04 115.29 120.45 3mlx s HIS 188 Ca 0.34 -0.31 -0.07 0.00 -0.15 0.00 0.00 55.06 54.87 3mlx s HIS 188 Cb 0.21 -1.12 -0.02 0.00 1.11 0.00 0.00 32.58 32.76 3mlx s HIS 188 CO 0.42 0.60 1.42 -0.09 -0.85 0.00 0.00 174.74 176.23 3mlx h ARG 189 N 2.66 0.67 -2.70 1.40 2.43 -1.89 -3.44 114.38 113.52 3mlx h ARG 189 Ca -0.44 -0.48 0.11 0.00 -0.81 0.00 0.00 59.98 58.36 3mlx h ARG 189 Cb 1.23 0.08 -0.07 0.00 -0.42 0.00 0.00 29.97 30.78 3mlx h ARG 189 CO 0.55 1.10 0.34 -1.54 -1.51 0.00 0.00 179.97 178.91 3mlx s SER 190 N -6.99 -0.26 0.03 -3.80 1.04 -1.26 -4.33 113.70 98.13 3mlx s SER 190 Ca -0.09 -0.44 0.03 0.00 0.48 0.00 0.00 55.95 55.94 3mlx s SER 190 Cb 0.10 0.60 -0.02 0.00 0.10 0.00 0.00 66.02 66.81 3mlx s SER 190 CO 0.87 -1.10 -0.10 -0.31 0.98 0.00 0.00 173.24 173.59 3mlx s TYR 191 N -3.61 0.83 0.03 5.02 1.51 -0.70 -0.16 117.35 120.27 3mlx s TYR 191 Ca 0.10 -0.35 0.03 0.00 -1.01 0.00 0.00 57.07 55.84 3mlx s TYR 191 Cb -0.03 -0.50 -0.02 0.00 -0.11 0.00 0.00 41.96 41.30 3mlx s TYR 191 CO 0.02 -0.02 -0.10 -1.12 -1.11 0.00 0.00 175.55 173.22 3mlx s SER 192 N -1.10 1.19 -0.26 2.29 0.01 -0.12 -1.76 113.70 113.94 3mlx s SER 192 Ca -0.03 -0.43 -0.04 0.00 1.31 0.00 0.00 55.95 56.75 3mlx s SER 192 Cb -0.07 -0.05 0.01 0.00 0.21 0.00 0.00 66.02 66.13 3mlx s SER 192 CO 0.01 -0.05 0.00 0.00 0.41 0.00 0.00 173.24 173.61 3mlx s GLN 194 N 1.42 3.37 -0.25 0.00 -0.21 0.76 -2.09 119.66 122.66 3mlx s GLN 194 Ca 0.02 -0.65 -0.06 0.00 0.02 0.00 0.00 55.36 54.69 3mlx s GLN 194 Cb -0.17 -3.20 -0.01 0.00 1.00 0.00 0.00 33.01 30.63 3mlx s GLN 194 CO -0.01 -0.26 0.03 0.08 -2.12 0.00 0.00 175.29 173.00 3mlx s VAL 195 N 1.52 3.88 -0.18 1.09 1.01 0.15 -0.98 120.40 126.88 3mlx s VAL 195 Ca 0.05 -0.40 -0.08 0.00 0.00 0.00 0.00 61.98 61.55 3mlx s VAL 195 Cb -0.15 -2.83 -0.04 0.00 0.00 0.00 0.00 36.38 33.35 3mlx s VAL 195 CO 0.00 0.32 0.09 -0.89 0.00 0.00 0.00 175.10 174.62 3mlx s THR 196 N 1.54 5.05 -0.11 3.92 2.01 0.02 0.24 115.64 128.31 3mlx s THR 196 Ca 0.05 0.06 -0.04 0.00 0.31 0.00 0.00 61.69 62.07 3mlx s THR 196 Cb -0.15 -3.28 0.06 0.00 0.01 0.00 0.00 72.50 69.14 3mlx s THR 196 CO 0.01 0.47 0.23 -2.28 -0.69 0.00 0.00 174.62 172.36 3mlx s HIS 197 N 0.21 -0.33 -1.37 4.92 5.04 0.82 -1.87 115.29 122.70 3mlx s HIS 197 Ca 0.06 0.83 -0.02 0.00 -1.54 0.00 0.00 55.06 54.38 3mlx s HIS 197 Cb -0.12 -0.08 0.02 0.00 0.04 0.00 0.00 32.58 32.44 3mlx s HIS 197 CO -0.00 -0.30 0.67 0.39 -2.34 0.00 0.00 174.74 173.15 3mlx n GLU 198 N 5.08 -4.54 0.00 2.88 -0.58 -1.26 -1.64 120.64 120.57 3mlx n GLU 198 Ca -0.10 0.56 0.00 0.00 -0.42 0.00 0.00 57.16 57.19 3mlx n GLU 198 Cb 0.50 -5.05 0.00 0.00 -0.57 0.00 0.00 31.44 26.32 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 -1.69 2.63 3.75 0.62 0.00 -1.26 -4.99 105.19 104.25 3mlx n GLY 199 Ca -0.25 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.45 3mlx n GLY 199 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3mlx s SER 200 N -2.47 5.45 -0.08 1.61 1.04 -0.65 -5.11 113.70 113.48 3mlx s SER 200 Ca 0.00 0.04 0.02 0.00 0.48 0.00 0.00 55.95 56.50 3mlx s SER 200 Cb 0.00 -1.49 -0.02 0.00 0.10 0.00 0.00 66.02 64.61 3mlx s SER 200 CO 0.00 0.24 -0.15 -0.89 0.98 0.00 0.00 173.24 173.42 3mlx s THR 201 N -1.23 2.98 -0.14 2.02 2.01 -1.26 -0.13 115.64 119.90 3mlx s THR 201 Ca 0.24 -0.73 -0.00 0.00 0.31 0.00 0.00 61.69 61.51 3mlx s THR 201 Cb -0.12 -2.19 -0.01 0.00 0.01 0.00 0.00 72.50 70.18 3mlx s THR 201 CO 0.15 0.56 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.83 3mlx s VAL 202 N -0.28 3.04 0.01 3.82 1.01 0.14 -4.95 120.40 123.19 3mlx s VAL 202 Ca 0.02 -0.66 0.04 0.00 0.00 0.00 0.00 61.98 61.38 3mlx s VAL 202 Cb -0.13 -2.28 -0.01 0.00 0.00 0.00 0.00 36.38 33.96 3mlx s VAL 202 CO 0.03 0.52 -0.13 -0.70 0.00 0.00 0.00 175.10 174.82 3mlx s GLU 203 N 0.45 0.97 0.04 2.72 2.12 -1.26 0.30 118.70 124.04 3mlx s GLU 203 Ca -0.09 -0.56 0.05 0.00 0.36 0.00 0.00 54.97 54.72 3mlx s GLU 203 Cb -0.16 -0.95 -0.02 0.00 0.26 0.00 0.00 34.13 33.26 3mlx s GLU 203 CO 0.05 0.25 -0.14 0.15 -0.54 0.00 0.00 175.26 175.03 3mlx s LYS 204 N -0.63 0.92 0.02 4.30 -0.14 -0.89 -5.00 119.74 118.33 3mlx s LYS 204 Ca 0.03 -0.78 0.03 0.00 -1.36 0.00 0.00 55.97 53.90 3mlx s LYS 204 Cb -0.06 -0.93 -0.02 0.00 -1.68 0.00 0.00 37.83 35.14 3mlx s LYS 204 CO 0.00 0.23 -0.10 0.99 -0.76 0.00 0.00 175.35 175.71 3mlx s THR 205 N -0.89 0.76 0.06 2.17 2.01 -1.26 -1.28 115.64 117.21 3mlx s THR 205 Ca 0.01 -0.72 0.03 0.00 0.31 0.00 0.00 61.69 61.32 3mlx s THR 205 Cb -0.08 -0.70 -0.03 0.00 0.01 0.00 0.00 72.50 71.70 3mlx s THR 205 CO 0.01 -0.01 -0.09 0.68 -0.69 0.00 0.00 174.62 174.52 3mlx s VAL 206 N -0.68 0.72 0.08 3.82 -7.23 -0.72 -5.00 120.40 111.40 3mlx s VAL 206 Ca -0.00 -1.32 0.03 0.00 -1.81 0.00 0.00 61.98 58.88 3mlx s VAL 206 Cb -0.06 -0.95 -0.03 0.00 0.56 0.00 0.00 36.38 35.90 3mlx s VAL 206 CO 0.00 -0.45 -0.10 0.00 -0.31 0.00 0.00 175.10 174.25 3mlx s ALA 207 N -1.82 0.99 -0.30 1.32 0.00 -1.26 -1.73 121.76 118.96 3mlx s ALA 207 Ca -0.03 -1.09 -0.41 0.00 0.00 0.00 0.00 51.96 50.43 3mlx s ALA 207 Cb -0.07 0.03 -0.16 0.00 0.00 0.00 0.00 23.12 22.92 3mlx s ALA 207 CO 0.00 -0.03 1.70 -2.30 0.00 0.00 0.00 175.76 175.13 3mlx n PRO 208 N 0.79 0.95 -0.08 0.00 -0.02 -1.26 -5.07 135.00 130.31 3mlx n PRO 208 Ca -0.18 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.65 3mlx n PRO 208 Cb 0.57 -2.00 0.00 0.00 -0.02 0.00 0.00 33.50 32.05 3mlx n PRO 208 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89