#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mx9 n PRO 5023N 0.00 0.15 -2.18 4.33 -0.04 -1.26 -4.87 135.00 131.12 1mx9 n PRO 5023Ca 0.00 0.06 -0.41 0.00 -0.04 0.00 0.00 63.50 63.11 1mx9 n PRO 5023Cb 0.00 -1.18 -0.03 0.00 -0.04 0.00 0.00 33.50 32.25 1mx9 n PRO 5023CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1mx9 s PRO 5024N -1.27 4.38 -0.27 0.54 0.04 -1.26 -4.90 135.00 132.27 1mx9 s PRO 5024Ca 0.60 2.11 -0.01 0.00 0.04 0.00 0.00 61.00 63.74 1mx9 s PRO 5024Cb -0.52 -3.15 0.08 0.00 0.04 0.00 0.00 34.50 30.95 1mx9 s PRO 5024CO 0.62 -0.23 0.06 0.08 0.04 0.00 0.00 177.00 177.58 1mx9 s VAL 5025N -0.27 0.79 0.32 -0.36 1.01 -1.26 -0.52 120.40 120.11 1mx9 s VAL 5025Ca 0.55 -1.09 0.04 0.00 0.00 0.00 0.00 61.98 61.47 1mx9 s VAL 5025Cb -0.38 -1.45 -0.02 0.00 0.00 0.00 0.00 36.38 34.53 1mx9 s VAL 5025CO 0.42 -0.47 0.47 -0.69 0.00 0.00 0.00 175.10 174.83 1mx9 s VAL 5026N 1.69 4.74 -0.21 2.92 1.01 -0.64 -4.89 120.40 125.02 1mx9 s VAL 5026Ca 0.05 -0.82 0.01 0.00 0.00 0.00 0.00 61.98 61.22 1mx9 s VAL 5026Cb -0.17 -3.69 0.03 0.00 0.00 0.00 0.00 36.38 32.55 1mx9 s VAL 5026CO -0.18 -0.33 -0.14 -1.81 0.00 0.00 0.00 175.10 172.63 1mx9 s ASP 5027N -4.08 3.71 0.43 3.32 -0.00 -1.26 -0.47 116.67 118.32 1mx9 s ASP 5027Ca 0.40 -0.84 0.08 0.00 -0.00 0.00 0.00 52.55 52.19 1mx9 s ASP 5027Cb -0.09 -1.55 -0.01 0.00 -0.00 0.00 0.00 42.92 41.27 1mx9 s ASP 5027CO 0.32 -0.07 0.43 0.42 -0.00 0.00 0.00 175.17 176.28 1mx9 s THR 5028N 1.27 2.66 0.17 -1.27 -4.23 -0.62 -4.84 115.64 108.78 1mx9 s THR 5028Ca 0.01 -1.27 -0.18 0.00 -1.18 0.00 0.00 61.69 59.07 1mx9 s THR 5028Cb -0.15 -2.93 0.10 0.00 1.34 0.00 0.00 72.50 70.86 1mx9 s THR 5028CO -0.09 0.00 1.65 0.58 -0.54 0.00 0.00 174.62 176.22 1mx9 h VAL 5029N 0.91 0.50 0.00 2.29 2.07 -1.95 0.05 116.25 120.11 1mx9 h VAL 5029Ca -0.40 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.12 1mx9 h VAL 5029Cb 1.27 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 31.54 1mx9 h VAL 5029CO 0.54 0.00 0.00 1.41 0.02 0.00 0.00 177.57 179.54 1mx9 n HIS 5030N -5.35 0.00 0.00 1.57 8.25 -1.26 -4.97 115.22 113.46 1mx9 n HIS 5030Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 1mx9 n HIS 5030Cb 0.26 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.37 1mx9 n HIS 5030CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1mx9 n GLY 5031N 0.28 1.57 3.77 -1.41 0.00 0.00 -1.80 105.19 107.60 1mx9 n GLY 5031Ca 0.06 -2.20 -0.40 0.00 0.00 0.00 0.00 46.02 43.48 1mx9 n GLY 5031CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mx9 s LYS 5032N -1.38 4.37 0.05 1.61 1.02 -1.25 -1.58 119.74 122.58 1mx9 s LYS 5032Ca 0.00 2.11 0.07 0.00 0.02 0.00 0.00 55.97 58.17 1mx9 s LYS 5032Cb 0.00 -3.05 -0.03 0.00 -0.52 0.00 0.00 37.83 34.23 1mx9 s LYS 5032CO 0.00 -0.13 -0.20 0.08 -0.92 0.00 0.00 175.35 174.17 1mx9 s VAL 5033N -1.17 1.64 -0.29 3.17 1.01 0.38 0.11 120.40 125.24 1mx9 s VAL 5033Ca 0.49 -1.23 0.03 0.00 0.00 0.00 0.00 61.98 61.27 1mx9 s VAL 5033Cb -0.38 -1.43 0.08 0.00 0.00 0.00 0.00 36.38 34.65 1mx9 s VAL 5033CO 0.50 0.16 -0.02 -0.22 0.00 0.00 0.00 175.10 175.51 1mx9 s LEU 5034N -1.27 3.79 0.00 3.92 1.98 -0.01 -1.61 118.68 125.48 1mx9 s LEU 5034Ca 0.07 -1.71 0.00 0.00 -2.89 0.00 0.00 54.13 49.60 1mx9 s LEU 5034Cb -0.09 -1.48 0.00 0.00 0.66 0.00 0.00 46.19 45.28 1mx9 s LEU 5034CO 0.02 -0.29 0.00 0.61 -1.89 0.00 0.00 176.35 174.80 1mx9 n GLY 5035N 4.42 1.32 3.52 7.98 0.00 0.32 -0.60 105.19 122.16 1mx9 n GLY 5035Ca -0.05 -1.12 -0.16 0.00 0.00 0.00 0.00 46.02 44.69 1mx9 n GLY 5035CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mx9 s LYS 5036N 3.54 0.99 -0.61 1.61 -2.85 -0.46 -4.50 119.74 117.45 1mx9 s LYS 5036Ca 0.00 0.13 -0.16 0.00 -1.00 0.00 0.00 55.97 54.94 1mx9 s LYS 5036Cb 0.00 0.46 0.15 0.00 -2.06 0.00 0.00 37.83 36.38 1mx9 s LYS 5036CO 0.00 -0.33 0.58 -0.06 0.10 0.00 0.00 175.35 175.64 1mx9 s PHE 5037N -1.55 3.34 -0.23 1.78 2.99 -1.26 0.12 117.98 123.17 1mx9 s PHE 5037Ca -0.07 -1.42 -0.06 0.00 0.00 0.00 0.00 56.93 55.38 1mx9 s PHE 5037Cb -0.00 -3.83 -0.02 0.00 0.00 0.00 0.00 43.02 39.17 1mx9 s PHE 5037CO 0.05 -1.04 0.02 0.08 -0.00 0.00 0.00 175.22 174.33 1mx9 s VAL 5038N 1.37 3.93 -0.05 -0.44 1.01 -0.22 -4.86 120.40 121.14 1mx9 s VAL 5038Ca 0.07 -0.30 -0.04 0.00 0.00 0.00 0.00 61.98 61.71 1mx9 s VAL 5038Cb -0.25 -2.82 -0.04 0.00 0.00 0.00 0.00 36.38 33.28 1mx9 s VAL 5038CO 0.00 0.38 0.13 -0.94 0.00 0.00 0.00 175.10 174.67 1mx9 s SER 5039N 1.52 6.12 0.21 3.32 1.04 -1.26 -0.83 113.70 123.83 1mx9 s SER 5039Ca 0.06 0.33 0.06 0.00 0.48 0.00 0.00 55.95 56.87 1mx9 s SER 5039Cb -0.15 -1.90 -0.04 0.00 0.10 0.00 0.00 66.02 64.04 1mx9 s SER 5039CO 0.01 0.32 0.20 -0.22 0.98 0.00 0.00 173.24 174.54 1mx9 s LEU 5040N -1.50 3.91 0.15 2.42 2.96 -1.26 -4.97 118.68 120.39 1mx9 s LEU 5040Ca 0.21 -0.14 -0.31 0.00 -0.22 0.00 0.00 54.13 53.67 1mx9 s LEU 5040Cb -0.12 -2.47 -0.08 0.00 0.50 0.00 0.00 46.19 44.02 1mx9 s LEU 5040CO 0.11 -0.00 1.35 -0.70 -1.32 0.00 0.00 176.35 175.79 1mx9 s GLU 5041N -3.58 4.35 0.00 1.98 2.56 -1.26 -2.64 118.70 120.11 1mx9 s GLU 5041Ca 0.32 2.06 0.00 0.00 0.00 0.00 0.00 54.97 57.35 1mx9 s GLU 5041Cb -0.09 -3.23 0.00 0.00 2.00 0.00 0.00 34.13 32.81 1mx9 s GLU 5041CO 0.25 -0.36 0.00 0.41 -0.56 0.00 0.00 175.26 175.00 1mx9 n GLY 5042N 3.01 0.36 3.06 -1.50 0.00 -1.26 -5.05 105.19 103.81 1mx9 n GLY 5042Ca 0.09 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.88 1mx9 n GLY 5042CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1mx9 s PHE 5043N -2.11 1.37 0.00 1.61 0.40 -1.08 -5.09 117.98 113.08 1mx9 s PHE 5043Ca 0.00 -0.39 0.00 0.00 -0.60 0.00 0.00 56.93 55.94 1mx9 s PHE 5043Cb 0.00 -0.95 0.00 0.00 0.51 0.00 0.00 43.02 42.58 1mx9 s PHE 5043CO 0.00 -0.16 0.50 0.00 0.70 0.00 0.00 175.22 176.27 1mx9 n ALA 5044N 3.31 -0.22 -1.67 5.36 0.00 -1.26 -4.48 120.51 121.54 1mx9 n ALA 5044Ca -0.19 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.82 1mx9 n ALA 5044Cb 0.53 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.95 1mx9 n ALA 5044CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1mx9 s GLN 5045N -1.81 3.52 0.63 0.00 2.00 -1.26 -4.94 119.66 117.79 1mx9 s GLN 5045Ca 0.00 2.19 -0.18 0.00 -2.00 0.00 0.00 55.36 55.37 1mx9 s GLN 5045Cb 0.00 -4.28 -0.02 0.00 0.80 0.00 0.00 33.01 29.52 1mx9 s GLN 5045CO 0.00 -1.66 1.23 -2.14 -0.50 0.00 0.00 175.29 172.22 1mx9 s PRO 5046N 5.58 2.72 0.03 1.67 0.02 -1.26 -4.85 135.00 138.91 1mx9 s PRO 5046Ca 0.94 1.88 -0.22 0.00 0.02 0.00 0.00 61.00 63.62 1mx9 s PRO 5046Cb -0.35 -1.89 -0.06 0.00 0.02 0.00 0.00 34.50 32.22 1mx9 s PRO 5046CO 0.37 -1.42 0.65 0.08 -0.33 0.00 0.00 177.00 176.35 1mx9 s VAL 5047N -1.60 4.81 -0.06 3.83 1.01 -0.01 -4.83 120.40 123.55 1mx9 s VAL 5047Ca 0.78 1.37 -0.30 0.00 0.00 0.00 0.00 61.98 63.83 1mx9 s VAL 5047Cb -0.32 -3.99 -0.02 0.00 0.00 0.00 0.00 36.38 32.05 1mx9 s VAL 5047CO 0.37 0.43 1.02 0.00 0.00 0.00 0.00 175.10 176.92 1mx9 s ALA 5048N -0.32 3.33 -0.22 5.51 0.00 -0.16 -1.05 121.76 128.86 1mx9 s ALA 5048Ca 0.33 0.47 -0.01 0.00 0.00 0.00 0.00 51.96 52.75 1mx9 s ALA 5048Cb -0.19 -3.41 0.02 0.00 0.00 0.00 0.00 23.12 19.54 1mx9 s ALA 5048CO 0.19 -0.50 -0.11 0.42 0.00 0.00 0.00 175.76 175.77 1mx9 s ILE 5049N 1.68 2.62 -0.14 0.00 1.01 0.32 -1.82 121.20 124.88 1mx9 s ILE 5049Ca 0.51 -0.95 -0.03 0.00 0.00 0.00 0.00 60.65 60.17 1mx9 s ILE 5049Cb -0.20 -2.25 -0.03 0.00 0.01 0.00 0.00 42.46 39.99 1mx9 s ILE 5049CO 0.22 0.34 -0.05 -0.36 0.00 0.00 0.00 174.94 175.09 1mx9 s PHE 5050N 1.32 3.00 -0.09 3.97 0.40 0.14 -1.36 117.98 125.37 1mx9 s PHE 5050Ca 0.02 -0.25 0.01 0.00 -0.60 0.00 0.00 56.93 56.11 1mx9 s PHE 5050Cb -0.15 -1.91 0.02 0.00 0.51 0.00 0.00 43.02 41.49 1mx9 s PHE 5050CO -0.07 0.03 -0.10 -0.51 0.70 0.00 0.00 175.22 175.27 1mx9 s LEU 5051N 0.12 1.44 0.00 -0.37 1.43 0.22 -1.05 118.68 120.48 1mx9 s LEU 5051Ca -0.01 -0.31 0.00 0.00 -1.03 0.00 0.00 54.13 52.78 1mx9 s LEU 5051Cb -0.14 -0.85 0.00 0.00 0.03 0.00 0.00 46.19 45.24 1mx9 s LEU 5051CO 0.03 -0.04 0.00 0.61 0.23 0.00 0.00 176.35 177.18 1mx9 n GLY 5052N 4.35 0.90 3.65 -3.19 0.00 -1.25 -3.58 105.19 106.07 1mx9 n GLY 5052Ca -0.18 -0.56 -0.41 0.00 0.00 0.00 0.00 46.02 44.86 1mx9 n GLY 5052CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1mx9 s ILE 5053N -2.48 4.94 0.08 -0.61 1.01 -1.09 -4.87 121.20 118.18 1mx9 s ILE 5053Ca 0.00 1.38 -0.30 0.00 0.00 0.00 0.00 60.65 61.73 1mx9 s ILE 5053Cb 0.00 -4.03 -0.06 0.00 0.01 0.00 0.00 42.46 38.38 1mx9 s ILE 5053CO 0.00 0.04 1.14 -2.16 0.00 0.00 0.00 174.94 173.96 1mx9 s PRO 5054N 2.27 4.49 0.00 2.79 0.04 -1.26 -1.73 135.00 141.60 1mx9 s PRO 5054Ca 0.32 1.71 0.09 0.00 0.04 0.00 0.00 61.00 63.16 1mx9 s PRO 5054Cb -0.16 -3.35 0.13 0.00 0.04 0.00 0.00 34.50 31.16 1mx9 s PRO 5054CO 0.10 -0.15 0.92 1.97 0.04 0.00 0.00 177.00 179.88 1mx9 n PHE 5055N 3.55 0.12 -3.62 0.56 1.16 -1.03 -4.90 117.46 113.29 1mx9 n PHE 5055Ca 0.07 -0.16 -0.10 0.00 -1.87 0.00 0.00 57.45 55.39 1mx9 n PHE 5055Cb 0.47 -0.01 -0.02 0.00 -1.61 0.00 0.00 39.48 38.31 1mx9 n PHE 5055CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1mx9 s ALA 5056N -0.82 -1.44 0.35 1.98 0.00 -1.26 -4.30 121.76 116.27 1mx9 s ALA 5056Ca 0.13 0.14 -0.26 0.00 0.00 0.00 0.00 51.96 51.97 1mx9 s ALA 5056Cb 0.08 0.86 -0.09 0.00 0.00 0.00 0.00 23.12 23.97 1mx9 s ALA 5056CO 0.12 -0.89 1.08 0.21 0.00 0.00 0.00 175.76 176.27 1mx9 s LYS 5057N -3.81 4.33 0.17 0.00 2.20 0.87 -4.41 119.74 119.10 1mx9 s LYS 5057Ca 0.06 1.65 -0.33 0.00 -0.36 0.00 0.00 55.97 56.99 1mx9 s LYS 5057Cb -0.03 -2.80 -0.14 0.00 -1.51 0.00 0.00 37.83 33.35 1mx9 s LYS 5057CO -0.04 -0.02 1.59 -2.30 -0.36 0.00 0.00 175.35 174.22 1mx9 n PRO 5058N 0.43 2.24 -0.55 4.03 -0.02 -1.26 -4.48 135.00 135.40 1mx9 n PRO 5058Ca 0.03 0.81 -0.04 0.00 -2.02 0.00 0.00 63.50 62.27 1mx9 n PRO 5058Cb 0.47 -2.58 -0.06 0.00 -0.02 0.00 0.00 33.50 31.32 1mx9 n PRO 5058CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1mx9 n PRO 5059N 3.39 1.09 -3.04 0.52 -0.04 -1.26 -4.88 135.00 130.78 1mx9 n PRO 5059Ca 0.16 -0.34 -0.33 0.00 -0.04 0.00 0.00 63.50 62.96 1mx9 n PRO 5059Cb 0.30 -1.46 -0.06 0.00 -0.04 0.00 0.00 33.50 32.24 1mx9 n PRO 5059CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1mx9 s LEU 5060N 0.00 4.07 0.00 1.53 1.43 -1.26 -3.29 118.68 121.16 1mx9 s LEU 5060Ca 0.23 1.41 0.00 0.00 -1.03 0.00 0.00 54.13 54.74 1mx9 s LEU 5060Cb 0.11 -4.15 0.00 0.00 0.03 0.00 0.00 46.19 42.18 1mx9 s LEU 5060CO 0.00 -0.22 0.00 0.61 0.23 0.00 0.00 176.35 176.97 1mx9 n GLY 5061N -0.30 0.95 0.27 -3.19 0.00 -1.26 -1.99 105.19 99.67 1mx9 n GLY 5061Ca 0.04 0.66 0.02 0.00 0.00 0.00 0.00 46.02 46.74 1mx9 n GLY 5061CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1mx9 h PRO 5062N 0.00 0.43 0.00 1.61 0.11 -1.90 -2.59 132.00 129.66 1mx9 h PRO 5062Ca 0.00 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 66.04 1mx9 h PRO 5062Cb 0.00 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.04 1mx9 h PRO 5062CO 0.00 0.44 0.00 1.28 -0.21 0.00 0.00 178.00 179.51 1mx9 n LEU 5063N -4.33 0.66 -4.77 2.35 4.77 -0.84 -4.82 117.00 110.02 1mx9 n LEU 5063Ca 0.01 0.60 -0.40 0.00 -0.03 0.00 0.00 56.01 56.19 1mx9 n LEU 5063Cb 0.20 -0.45 0.01 0.00 -2.33 0.00 0.00 43.42 40.86 1mx9 n LEU 5063CO 0.38 -0.33 1.08 -0.60 -1.33 0.00 0.00 177.39 176.59 1mx9 s ARG 5064N -3.18 3.76 -1.30 3.23 3.52 -0.98 -2.23 118.95 121.78 1mx9 s ARG 5064Ca 0.08 2.45 -0.05 0.00 -0.13 0.00 0.00 55.73 58.08 1mx9 s ARG 5064Cb 0.11 -2.71 0.01 0.00 -1.56 0.00 0.00 34.95 30.80 1mx9 s ARG 5064CO 0.49 -0.77 1.10 1.19 -0.81 0.00 0.00 175.30 176.50 1mx9 n PHE 5065N -0.08 -2.57 -3.65 5.12 3.72 -1.26 -5.02 117.46 113.72 1mx9 n PHE 5065Ca 0.04 0.98 -0.12 0.00 -0.05 0.00 0.00 57.45 58.31 1mx9 n PHE 5065Cb 0.41 -5.03 -0.05 0.00 -0.94 0.00 0.00 39.48 33.87 1mx9 n PHE 5065CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1mx9 s THR 5066N -3.34 0.07 0.49 4.37 -4.23 -0.95 -4.91 115.64 107.14 1mx9 s THR 5066Ca 0.34 -0.54 -0.20 0.00 -1.18 0.00 0.00 61.69 60.11 1mx9 s THR 5066Cb -0.15 -1.07 -0.11 0.00 1.34 0.00 0.00 72.50 72.51 1mx9 s THR 5066CO 0.73 -0.30 0.49 -2.65 -0.54 0.00 0.00 174.62 172.36 1mx9 n PRO 5067N 0.14 0.52 -2.32 3.99 -0.02 -1.26 -4.87 135.00 131.17 1mx9 n PRO 5067Ca -0.17 0.20 -0.39 0.00 -2.02 0.00 0.00 63.50 61.11 1mx9 n PRO 5067Cb 0.62 -1.57 -0.03 0.00 -0.02 0.00 0.00 33.50 32.50 1mx9 n PRO 5067CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1mx9 s PRO 5068N -1.76 4.30 0.20 0.52 0.04 -1.26 -5.04 135.00 132.00 1mx9 s PRO 5068Ca 0.65 1.89 0.02 0.00 0.04 0.00 0.00 61.00 63.60 1mx9 s PRO 5068Cb -0.52 -2.90 -0.04 0.00 0.04 0.00 0.00 34.50 31.08 1mx9 s PRO 5068CO 0.57 -0.12 0.35 -0.65 0.04 0.00 0.00 177.00 177.19 1mx9 s GLN 5069N -1.95 3.47 0.55 4.56 -1.52 -1.26 -4.98 119.66 118.53 1mx9 s GLN 5069Ca 0.52 -0.52 -0.20 0.00 -1.95 0.00 0.00 55.36 53.21 1mx9 s GLN 5069Cb -0.32 -2.89 -0.05 0.00 -0.22 0.00 0.00 33.01 29.52 1mx9 s GLN 5069CO 0.42 0.44 1.16 -2.14 -0.25 0.00 0.00 175.29 174.91 1mx9 s PRO 5070N -3.48 3.29 0.67 2.91 0.02 -1.26 -0.09 135.00 137.06 1mx9 s PRO 5070Ca 0.36 1.69 -0.13 0.00 0.02 0.00 0.00 61.00 62.95 1mx9 s PRO 5070Cb -0.11 -2.02 0.00 0.00 0.02 0.00 0.00 34.50 32.39 1mx9 s PRO 5070CO 0.29 -0.92 1.07 0.00 -0.33 0.00 0.00 177.00 177.11 1mx9 s ALA 5071N -1.70 2.62 0.25 -1.55 0.00 -1.26 -3.20 121.76 116.93 1mx9 s ALA 5071Ca 0.73 0.25 -0.26 0.00 0.00 0.00 0.00 51.96 52.68 1mx9 s ALA 5071Cb -0.26 -3.22 -0.09 0.00 0.00 0.00 0.00 23.12 19.55 1mx9 s ALA 5071CO 0.29 -1.18 0.88 -1.21 0.00 0.00 0.00 175.76 174.55 1mx9 s GLU 5072N -4.63 4.62 0.52 0.00 0.41 -1.26 -4.87 118.70 113.49 1mx9 s GLU 5072Ca 0.61 1.29 -0.20 0.00 -0.41 0.00 0.00 54.97 56.25 1mx9 s GLU 5072Cb -0.16 -3.04 -0.06 0.00 -1.78 0.00 0.00 34.13 29.08 1mx9 s GLU 5072CO 0.48 0.42 1.12 -2.14 -0.49 0.00 0.00 175.26 174.66 1mx9 s PRO 5073N -1.60 3.48 -0.01 0.39 0.02 -1.26 -4.98 135.00 131.03 1mx9 s PRO 5073Ca 0.44 1.61 0.04 0.00 0.02 0.00 0.00 61.00 63.11 1mx9 s PRO 5073Cb -0.21 -2.09 -0.01 0.00 0.02 0.00 0.00 34.50 32.21 1mx9 s PRO 5073CO 0.26 -0.75 -0.13 1.67 -0.33 0.00 0.00 177.00 177.72 1mx9 s TRP 5074N -1.75 1.21 0.96 6.54 -2.14 -0.74 -5.07 118.94 117.94 1mx9 s TRP 5074Ca 0.71 -0.23 -0.14 0.00 2.66 0.00 0.00 56.10 59.09 1mx9 s TRP 5074Cb -0.24 -0.78 0.17 0.00 -3.10 0.00 0.00 33.47 29.52 1mx9 s TRP 5074CO 0.27 -0.02 1.19 -1.12 -2.66 0.00 0.00 176.95 174.61 1mx9 s SER 5075N -0.32 3.12 0.43 -2.66 0.01 -1.26 -4.55 113.70 108.47 1mx9 s SER 5075Ca 0.05 0.70 0.00 0.00 1.31 0.00 0.00 55.95 58.01 1mx9 s SER 5075Cb -0.05 -1.06 0.00 0.00 0.21 0.00 0.00 66.02 65.11 1mx9 s SER 5075CO -0.01 -2.77 0.00 0.49 0.41 0.00 0.00 173.24 171.37 1mx9 n PHE 5076N -3.87 -0.15 -3.87 2.43 3.01 -1.26 -4.63 117.46 109.12 1mx9 n PHE 5076Ca 0.10 0.00 -0.35 0.00 1.01 0.00 0.00 57.45 58.21 1mx9 n PHE 5076Cb 0.60 0.06 -0.09 0.00 -0.01 0.00 0.00 39.48 40.03 1mx9 n PHE 5076CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1mx9 s VAL 5077N 0.00 4.98 -0.40 -4.37 1.01 -1.26 -3.83 120.40 116.53 1mx9 s VAL 5077Ca 0.00 0.04 -0.19 0.00 0.00 0.00 0.00 61.98 61.83 1mx9 s VAL 5077Cb 0.00 -3.27 0.01 0.00 0.00 0.00 0.00 36.38 33.12 1mx9 s VAL 5077CO 0.00 0.43 0.55 -0.75 0.00 0.00 0.00 175.10 175.33 1mx9 s LYS 5078N 0.57 3.40 -0.27 2.72 2.20 0.12 -4.93 119.74 123.55 1mx9 s LYS 5078Ca 0.05 -0.34 -0.28 0.00 -0.36 0.00 0.00 55.97 55.04 1mx9 s LYS 5078Cb -0.12 -3.89 -0.03 0.00 -1.51 0.00 0.00 37.83 32.27 1mx9 s LYS 5078CO 0.01 -0.82 1.94 1.21 -0.36 0.00 0.00 175.35 177.32 1mx9 s ASN 5079N 1.86 5.80 -0.72 1.43 3.84 -1.26 -0.83 114.94 125.06 1mx9 s ASN 5079Ca 0.19 1.59 0.03 0.00 0.21 0.00 0.00 52.86 54.89 1mx9 s ASN 5079Cb -0.15 -2.52 0.33 0.00 -0.55 0.00 0.00 41.25 38.35 1mx9 s ASN 5079CO 0.16 -1.73 1.19 0.00 -2.79 0.00 0.00 177.10 173.92 1mx9 n ALA 5080N 10.52 5.03 -0.20 1.71 0.00 0.24 -4.74 120.51 133.07 1mx9 n ALA 5080Ca 0.25 -4.69 0.00 0.00 0.00 0.00 0.00 53.44 49.00 1mx9 n ALA 5080Cb 0.46 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.72 1mx9 n ALA 5080CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1mx9 n THR 5081N -0.06 0.68 -4.19 0.00 -2.24 -1.24 -0.61 114.28 106.63 1mx9 n THR 5081Ca 0.35 -0.74 -0.17 0.00 -2.27 0.00 0.00 64.05 61.22 1mx9 n THR 5081Cb 0.35 0.69 -0.12 0.00 -2.10 0.00 0.00 70.33 69.15 1mx9 n THR 5081CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1mx9 s SER 5082N -0.68 1.24 0.35 3.42 1.04 -1.26 -4.91 113.70 112.91 1mx9 s SER 5082Ca 0.00 -0.47 -0.29 0.00 0.48 0.00 0.00 55.95 55.67 1mx9 s SER 5082Cb 0.00 -0.04 -0.11 0.00 0.10 0.00 0.00 66.02 65.97 1mx9 s SER 5082CO 0.00 -0.07 1.49 -0.31 0.98 0.00 0.00 173.24 175.33 1mx9 s TYR 5083N -1.03 2.67 0.79 5.02 2.02 -1.26 -3.95 117.35 121.61 1mx9 s TYR 5083Ca -0.03 1.12 -0.12 0.00 -0.37 0.00 0.00 57.07 57.67 1mx9 s TYR 5083Cb -0.08 -3.99 0.07 0.00 -0.40 0.00 0.00 41.96 37.55 1mx9 s TYR 5083CO 0.01 -2.97 1.16 -1.25 -1.57 0.00 0.00 175.55 170.92 1mx9 s PRO 5084N -1.74 2.14 0.71 -1.71 0.04 -1.26 -4.93 135.00 128.25 1mx9 s PRO 5084Ca 0.54 0.17 -0.08 0.00 0.04 0.00 0.00 61.00 61.67 1mx9 s PRO 5084Cb -0.46 -1.97 0.05 0.00 0.04 0.00 0.00 34.50 32.16 1mx9 s PRO 5084CO 0.59 -1.48 1.04 -2.14 0.04 0.00 0.00 177.00 175.05 1mx9 s PRO 5085N -5.53 2.36 0.25 0.56 0.02 -1.26 -4.86 135.00 126.54 1mx9 s PRO 5085Ca 0.61 -0.03 0.01 0.00 0.02 0.00 0.00 61.00 61.61 1mx9 s PRO 5085Cb -0.11 -2.12 -0.04 0.00 0.02 0.00 0.00 34.50 32.26 1mx9 s PRO 5085CO 0.49 -1.20 0.43 0.00 -0.33 0.00 0.00 177.00 176.39 1mx9 s MET 5086N -5.29 3.50 0.42 5.54 0.23 -0.69 -4.72 119.30 118.28 1mx9 s MET 5086Ca 0.59 -0.41 -0.25 0.00 -1.03 0.00 0.00 55.69 54.59 1mx9 s MET 5086Cb -0.11 -2.80 -0.08 0.00 -1.53 0.00 0.00 34.83 30.31 1mx9 s MET 5086CO 0.47 0.34 1.28 0.00 -2.03 0.00 0.00 175.02 175.07 1mx9 n THR 5088N 0.02 0.02 -3.50 0.00 -1.04 -1.10 -4.70 114.28 103.98 1mx9 n THR 5088Ca 0.04 -0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.96 1mx9 n THR 5088Cb 0.44 -0.28 -0.02 0.00 -1.82 0.00 0.00 70.33 68.65 1mx9 n THR 5088CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1mx9 s GLN 5089N 0.80 0.87 -0.34 -2.82 -2.07 -1.26 -4.75 119.66 110.09 1mx9 s GLN 5089Ca 0.93 -0.26 -0.41 0.00 -1.82 0.00 0.00 55.36 53.79 1mx9 s GLN 5089Cb -1.25 0.40 -0.16 0.00 -1.09 0.00 0.00 33.01 30.91 1mx9 s GLN 5089CO 0.60 -0.37 1.79 -3.47 -1.32 0.00 0.00 175.29 172.52 1mx9 n ASP 5090N -0.14 2.10 0.21 12.60 4.64 -1.26 -4.83 116.55 129.86 1mx9 n ASP 5090Ca -0.10 1.01 -0.13 0.00 -1.38 0.00 0.00 54.79 54.19 1mx9 n ASP 5090Cb 0.62 -1.10 -0.07 0.00 -1.04 0.00 0.00 41.12 39.53 1mx9 n ASP 5090CO 0.00 0.00 0.00 -0.65 -0.82 0.00 0.00 177.20 175.73 1mx9 h PRO 5091N 7.44 -0.68 0.04 -0.67 0.11 -1.98 -0.36 132.00 135.90 1mx9 h PRO 5091Ca -0.42 0.05 0.03 0.00 0.11 0.00 0.00 66.00 65.76 1mx9 h PRO 5091Cb 1.33 0.15 -0.04 0.00 0.11 0.00 0.00 31.00 32.56 1mx9 h PRO 5091CO 0.98 -0.45 -0.23 0.87 -0.21 0.00 0.00 178.00 178.96 1mx9 h LYS 5092N -0.70 -0.36 -0.17 1.05 1.57 -2.00 -2.41 116.57 113.54 1mx9 h LYS 5092Ca -0.05 0.02 0.05 0.00 -1.87 0.00 0.00 60.65 58.81 1mx9 h LYS 5092Cb 0.61 0.08 -0.07 0.00 0.08 0.00 0.00 32.23 32.93 1mx9 h LYS 5092CO -0.04 -0.24 -0.33 0.00 -0.57 0.00 0.00 179.45 178.27 1mx9 h ALA 5093N 0.46 -0.37 -0.98 3.86 0.00 -1.93 -0.96 119.26 119.34 1mx9 h ALA 5093Ca 0.05 0.03 0.13 0.00 0.00 0.00 0.00 54.91 55.12 1mx9 h ALA 5093Cb 0.44 0.64 -0.09 0.00 0.00 0.00 0.00 17.79 18.78 1mx9 h ALA 5093CO -0.18 -0.80 0.60 0.78 0.00 0.00 0.00 179.25 179.65 1mx9 h GLY 5094N -0.38 1.63 1.02 0.00 0.00 -0.87 -2.42 103.07 102.05 1mx9 h GLY 5094Ca 0.11 -0.39 -0.19 0.00 0.00 0.00 0.00 47.33 46.86 1mx9 h GLY 5094CO -0.39 0.10 -0.66 -1.61 0.00 0.00 0.00 176.54 173.98 1mx9 h GLN 5095N 0.91 0.65 -0.78 4.80 4.15 -0.92 -1.56 115.11 122.36 1mx9 h GLN 5095Ca 0.50 -0.55 0.14 0.00 0.77 0.00 0.00 58.65 59.51 1mx9 h GLN 5095Cb 0.57 0.12 -0.05 0.00 0.21 0.00 0.00 27.48 28.32 1mx9 h GLN 5095CO -0.29 1.16 0.51 1.25 -1.93 0.00 0.00 178.83 179.53 1mx9 h LEU 5096N 0.31 0.48 0.05 -2.39 5.85 -0.78 0.15 115.31 118.98 1mx9 h LEU 5096Ca -0.05 0.02 -0.24 0.00 0.84 0.00 0.00 57.88 58.45 1mx9 h LEU 5096Cb 1.30 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 42.24 1mx9 h LEU 5096CO 0.14 0.26 -1.14 0.25 -0.34 0.00 0.00 178.44 177.61 1mx9 h LEU 5097N 0.52 0.16 -1.69 2.25 5.85 -1.38 -2.84 115.31 118.18 1mx9 h LEU 5097Ca 0.38 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.91 1mx9 h LEU 5097Cb 0.74 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.71 1mx9 h LEU 5097CO -0.14 1.14 -0.06 -1.28 -0.34 0.00 0.00 178.44 177.77 1mx9 h SER 5098N 0.03 0.00 0.12 1.25 0.87 0.28 -1.12 113.55 114.97 1mx9 h SER 5098Ca -0.07 0.00 -0.34 0.00 -1.23 0.00 0.00 61.79 60.15 1mx9 h SER 5098Cb 1.86 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.81 1mx9 h SER 5098CO 0.15 0.06 -1.78 -0.33 -0.53 0.00 0.00 176.83 174.40 1mx9 h GLU 5099N 0.00 0.26 0.00 2.24 5.08 -1.13 -2.90 114.58 118.12 1mx9 h GLU 5099Ca -0.00 -0.44 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 1mx9 h GLU 5099Cb 0.45 0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.87 1mx9 h GLU 5099CO 0.01 1.21 0.00 1.28 -1.00 0.00 0.00 179.01 180.51 1mx9 n LEU 5100N -3.68 0.69 -0.00 1.33 4.77 -1.07 -3.71 117.00 115.33 1mx9 n LEU 5100Ca -0.30 0.62 0.03 0.00 -0.03 0.00 0.00 56.01 56.33 1mx9 n LEU 5100Cb 0.99 -0.46 -0.03 0.00 -2.33 0.00 0.00 43.42 41.59 1mx9 n LEU 5100CO 0.42 -0.36 -0.23 0.49 -1.33 0.00 0.00 177.39 176.38 1mx9 n PHE 5101N -2.21 0.00 -1.42 -1.77 3.72 -0.44 -4.96 117.46 110.39 1mx9 n PHE 5101Ca 0.04 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.11 1mx9 n PHE 5101Cb 0.32 -0.05 0.08 0.00 -0.94 0.00 0.00 39.48 38.90 1mx9 n PHE 5101CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 176.76 176.63 1mx9 s THR 5102N -1.84 2.93 -0.19 4.37 -1.32 -1.10 -4.87 115.64 113.62 1mx9 s THR 5102Ca 0.00 0.38 0.13 0.00 -1.21 0.00 0.00 61.69 60.99 1mx9 s THR 5102Cb 0.04 -2.84 0.39 0.00 -1.51 0.00 0.00 72.50 68.59 1mx9 s THR 5102CO 0.22 -0.32 1.21 -0.46 -2.21 0.00 0.00 174.62 173.06 1mx9 n ASN 5103N -3.02 1.87 -4.95 8.08 6.94 -1.25 -4.98 115.26 117.95 1mx9 n ASN 5103Ca 0.11 -3.73 -0.22 0.00 -0.02 0.00 0.00 54.58 50.71 1mx9 n ASN 5103Cb 0.52 -0.51 -0.02 0.00 -2.36 0.00 0.00 39.78 37.40 1mx9 n ASN 5103CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 1mx9 s ARG 5104N -3.16 3.40 0.08 -3.83 0.52 -1.26 -4.54 118.95 110.16 1mx9 s ARG 5104Ca 0.37 -0.74 -0.30 0.00 -0.52 0.00 0.00 55.73 54.54 1mx9 s ARG 5104Cb 0.35 -2.88 -0.16 0.00 0.52 0.00 0.00 34.95 32.78 1mx9 s ARG 5104CO -0.05 0.45 1.65 -0.22 0.02 0.00 0.00 175.30 177.15 1mx9 h LYS 5105N 1.43 -0.61 -6.02 3.54 3.64 -1.97 -3.43 116.57 113.15 1mx9 h LYS 5105Ca -0.51 0.04 -0.57 0.00 -1.27 0.00 0.00 60.65 58.34 1mx9 h LYS 5105Cb 1.22 0.14 -0.26 0.00 -0.41 0.00 0.00 32.23 32.93 1mx9 h LYS 5105CO 0.63 -0.41 -0.84 -2.00 -2.27 0.00 0.00 179.45 174.56 1mx9 s GLU 5106N -6.08 1.34 0.09 1.90 2.12 -1.26 -4.99 118.70 111.82 1mx9 s GLU 5106Ca -0.16 -0.93 -0.30 0.00 0.36 0.00 0.00 54.97 53.93 1mx9 s GLU 5106Cb 0.05 -1.45 -0.06 0.00 0.26 0.00 0.00 34.13 32.93 1mx9 s GLU 5106CO 0.63 0.37 1.10 1.21 -0.54 0.00 0.00 175.26 178.03 1mx9 s ASN 5107N -1.20 7.23 -0.36 -1.70 3.04 -1.26 -5.00 114.94 115.69 1mx9 s ASN 5107Ca 0.07 1.95 -0.22 0.00 0.04 0.00 0.00 52.86 54.69 1mx9 s ASN 5107Cb -0.09 -2.59 0.01 0.00 -1.54 0.00 0.00 41.25 37.04 1mx9 s ASN 5107CO 0.02 -0.31 0.75 -0.63 -3.04 0.00 0.00 177.10 173.88 1mx9 s ILE 5108N 0.53 4.77 0.46 -5.21 1.01 -1.26 -5.04 121.20 116.46 1mx9 s ILE 5108Ca 0.53 0.80 -0.24 0.00 0.00 0.00 0.00 60.65 61.75 1mx9 s ILE 5108Cb -0.27 -4.18 -0.07 0.00 0.01 0.00 0.00 42.46 37.95 1mx9 s ILE 5108CO 0.31 -0.41 1.24 -2.16 0.00 0.00 0.00 174.94 173.92 1mx9 s PRO 5109N 3.00 3.72 0.02 2.79 0.04 -1.26 -4.96 135.00 138.35 1mx9 s PRO 5109Ca 0.30 1.97 0.03 0.00 0.04 0.00 0.00 61.00 63.33 1mx9 s PRO 5109Cb -0.13 -2.49 -0.01 0.00 0.04 0.00 0.00 34.50 31.90 1mx9 s PRO 5109CO 0.16 -0.64 -0.09 -0.51 0.04 0.00 0.00 177.00 175.96 1mx9 s LEU 5110N -2.92 2.12 0.53 -3.56 1.43 -1.26 -5.15 118.68 109.87 1mx9 s LEU 5110Ca 0.63 -0.33 -0.18 0.00 -1.03 0.00 0.00 54.13 53.21 1mx9 s LEU 5110Cb -0.33 -0.37 -0.07 0.00 0.03 0.00 0.00 46.19 45.45 1mx9 s LEU 5110CO 0.41 -0.01 1.04 -0.54 0.23 0.00 0.00 176.35 177.49 1mx9 s LYS 5111N -0.81 3.62 0.04 1.70 1.02 -1.26 -4.85 119.74 119.20 1mx9 s LYS 5111Ca -0.01 1.29 -0.00 0.00 0.02 0.00 0.00 55.97 57.27 1mx9 s LYS 5111Cb -0.06 -2.07 -0.04 0.00 -0.52 0.00 0.00 37.83 35.14 1mx9 s LYS 5111CO 0.00 -0.57 0.17 -0.51 -0.92 0.00 0.00 175.35 173.52 1mx9 s LEU 5112N -3.88 4.20 -0.18 3.17 1.02 -1.26 -1.70 118.68 120.05 1mx9 s LEU 5112Ca 0.66 0.22 -0.33 0.00 0.02 0.00 0.00 54.13 54.69 1mx9 s LEU 5112Cb -0.16 -2.72 0.14 0.00 0.02 0.00 0.00 46.19 43.47 1mx9 s LEU 5112CO 0.27 0.20 1.17 -0.55 0.02 0.00 0.00 176.35 177.46 1mx9 s SER 5113N -2.29 -0.17 0.23 2.29 0.15 -0.93 -4.91 113.70 108.07 1mx9 s SER 5113Ca 0.31 0.05 0.26 0.00 0.70 0.00 0.00 55.95 57.27 1mx9 s SER 5113Cb -0.13 0.17 0.75 0.00 -1.71 0.00 0.00 66.02 65.11 1mx9 s SER 5113CO 0.23 -0.26 1.75 -0.33 1.20 0.00 0.00 173.24 175.83 1mx9 h GLU 5114N 2.07 0.00 -4.41 5.44 5.08 -1.96 -2.90 114.58 117.89 1mx9 h GLU 5114Ca -0.11 0.00 -0.75 0.00 -1.00 0.00 0.00 59.36 57.50 1mx9 h GLU 5114Cb 1.18 0.00 -0.20 0.00 0.50 0.00 0.00 28.75 30.23 1mx9 h GLU 5114CO 0.24 0.00 1.22 -3.47 -1.00 0.00 0.00 179.01 176.01 1mx9 n ASP 5115N -2.34 5.30 0.00 1.42 -0.08 -1.26 -4.35 116.55 115.24 1mx9 n ASP 5115Ca 0.05 -3.01 0.00 0.00 -1.51 0.00 0.00 54.79 50.33 1mx9 n ASP 5115Cb 0.44 -1.52 0.00 0.00 2.34 0.00 0.00 41.12 42.38 1mx9 n ASP 5115CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1mx9 n LEU 5117N -0.13 6.02 -4.63 0.00 4.77 -1.26 -4.72 117.00 117.05 1mx9 n LEU 5117Ca 0.00 -3.55 -0.28 0.00 -0.03 0.00 0.00 56.01 52.15 1mx9 n LEU 5117Cb 0.18 -1.36 -0.11 0.00 -2.33 0.00 0.00 43.42 39.81 1mx9 n LEU 5117CO 0.00 0.77 -0.28 -0.31 -1.33 0.00 0.00 177.39 176.24 1mx9 s TYR 5118N 3.56 2.51 -0.07 -1.77 1.51 -1.26 -2.48 117.35 119.34 1mx9 s TYR 5118Ca 0.53 -0.67 -0.09 0.00 -1.01 0.00 0.00 57.07 55.83 1mx9 s TYR 5118Cb 0.14 -1.78 0.02 0.00 -0.11 0.00 0.00 41.96 40.23 1mx9 s TYR 5118CO -0.01 0.43 0.24 -0.48 -1.11 0.00 0.00 175.55 174.62 1mx9 s LEU 5119N -3.72 1.11 -0.11 -1.29 0.05 -0.71 -2.18 118.68 111.83 1mx9 s LEU 5119Ca 0.35 0.36 -0.04 0.00 0.05 0.00 0.00 54.13 54.85 1mx9 s LEU 5119Cb 0.10 0.86 -0.04 0.00 -2.05 0.00 0.00 46.19 45.06 1mx9 s LEU 5119CO 0.18 -0.16 0.04 0.20 -0.55 0.00 0.00 176.35 176.06 1mx9 s ASN 5120N -0.22 5.51 -0.07 1.48 0.01 -0.69 -2.68 114.94 118.26 1mx9 s ASN 5120Ca -0.03 0.19 0.04 0.00 -0.71 0.00 0.00 52.86 52.34 1mx9 s ASN 5120Cb -0.03 -1.68 -0.02 0.00 0.41 0.00 0.00 41.25 39.93 1mx9 s ASN 5120CO 0.01 0.35 -0.18 -0.63 -1.51 0.00 0.00 177.10 175.14 1mx9 s ILE 5121N -0.68 2.70 -0.32 0.60 1.01 -0.21 -1.67 121.20 122.63 1mx9 s ILE 5121Ca 0.11 -0.83 0.02 0.00 0.00 0.00 0.00 60.65 59.95 1mx9 s ILE 5121Cb -0.12 -2.05 0.10 0.00 0.01 0.00 0.00 42.46 40.40 1mx9 s ILE 5121CO 0.02 0.57 0.07 -0.31 0.00 0.00 0.00 174.94 175.29 1mx9 s TYR 5122N -0.26 2.74 -0.18 3.97 1.51 -0.22 -0.68 117.35 124.22 1mx9 s TYR 5122Ca 0.01 -2.35 -0.01 0.00 -1.01 0.00 0.00 57.07 53.71 1mx9 s TYR 5122Cb -0.13 -2.29 -0.00 0.00 -0.11 0.00 0.00 41.96 39.43 1mx9 s TYR 5122CO 0.03 -0.91 -0.12 -0.08 -1.11 0.00 0.00 175.55 173.36 1mx9 s THR 5123N 1.26 2.85 -0.36 -0.71 -1.32 -0.75 -1.10 115.64 115.50 1mx9 s THR 5123Ca 0.09 -0.69 0.23 0.00 -1.21 0.00 0.00 61.69 60.12 1mx9 s THR 5123Cb -0.18 -2.24 0.07 0.00 -1.51 0.00 0.00 72.50 68.63 1mx9 s THR 5123CO -0.16 0.49 1.20 1.55 -2.21 0.00 0.00 174.62 175.49 1mx9 h PRO 5124N 7.64 0.00 -6.96 7.08 0.13 -1.86 -0.39 132.00 137.64 1mx9 h PRO 5124Ca -0.38 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.19 1mx9 h PRO 5124Cb 1.17 0.00 0.16 0.00 0.13 0.00 0.00 31.00 32.46 1mx9 h PRO 5124CO 0.59 0.00 0.36 0.00 -0.23 0.00 0.00 178.00 178.72 1mx9 n ALA 5125N -2.09 0.79 -2.59 -0.56 0.00 -1.26 -4.82 120.51 109.99 1mx9 n ALA 5125Ca 0.01 0.03 -0.43 0.00 0.00 0.00 0.00 53.44 53.06 1mx9 n ALA 5125Cb 0.52 -2.23 -0.03 0.00 0.00 0.00 0.00 19.45 17.71 1mx9 n ALA 5125CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1mx9 s ASP 5126N -1.22 6.50 0.38 0.00 2.15 -1.26 -4.83 116.67 118.39 1mx9 s ASP 5126Ca 0.77 0.17 0.09 0.00 0.43 0.00 0.00 52.55 54.01 1mx9 s ASP 5126Cb -0.41 -2.52 0.84 0.00 -0.30 0.00 0.00 42.92 40.52 1mx9 s ASP 5126CO 0.45 -1.32 1.93 -0.07 -0.17 0.00 0.00 175.17 175.99 1mx9 h LEU 5127N 11.40 0.60 -1.82 -1.34 3.38 -1.94 -0.47 115.31 125.11 1mx9 h LEU 5127Ca -0.24 0.02 0.16 0.00 0.09 0.00 0.00 57.88 57.91 1mx9 h LEU 5127Cb 1.06 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.67 1mx9 h LEU 5127CO 1.13 0.35 0.46 0.71 0.09 0.00 0.00 178.44 181.19 1mx9 h THR 5128N 0.66 0.74 -1.99 0.22 1.35 -2.01 -3.41 112.91 108.47 1mx9 h THR 5128Ca 0.36 -0.06 -0.53 0.00 -0.55 0.00 0.00 66.41 65.63 1mx9 h THR 5128Cb 0.52 0.55 -0.07 0.00 -1.73 0.00 0.00 68.15 67.42 1mx9 h THR 5128CO -0.14 0.03 -0.54 -0.54 -0.25 0.00 0.00 175.52 174.08 1mx9 s LYS 5129N -5.18 2.50 0.10 4.72 1.02 -0.18 -5.10 119.74 117.61 1mx9 s LYS 5129Ca -0.06 -1.40 -0.30 0.00 0.02 0.00 0.00 55.97 54.23 1mx9 s LYS 5129Cb 0.20 -2.28 -0.05 0.00 -0.52 0.00 0.00 37.83 35.18 1mx9 s LYS 5129CO 0.75 0.21 0.96 0.21 -0.92 0.00 0.00 175.35 176.56 1mx9 s LYS 5130N -3.83 4.68 0.08 1.68 2.20 -1.26 -4.72 119.74 118.56 1mx9 s LYS 5130Ca 0.36 1.44 -0.02 0.00 -0.36 0.00 0.00 55.97 57.40 1mx9 s LYS 5130Cb -0.05 -3.39 -0.04 0.00 -1.51 0.00 0.00 37.83 32.85 1mx9 s LYS 5130CO 0.23 0.18 0.02 -0.80 -0.36 0.00 0.00 175.35 174.62 1mx9 s ASN 5131N 0.13 0.40 -0.33 1.43 0.01 -1.26 -5.01 114.94 110.30 1mx9 s ASN 5131Ca 0.47 -1.06 0.17 0.00 -0.71 0.00 0.00 52.86 51.73 1mx9 s ASN 5131Cb -0.23 0.25 0.45 0.00 0.41 0.00 0.00 41.25 42.13 1mx9 s ASN 5131CO 0.30 -0.66 1.08 0.54 -1.51 0.00 0.00 177.10 176.84 1mx9 n ARG 5132N 0.02 1.24 -1.08 -0.60 5.12 -1.24 -4.28 116.66 115.85 1mx9 n ARG 5132Ca -0.11 -2.91 -0.33 0.00 -1.93 0.00 0.00 57.85 52.57 1mx9 n ARG 5132Cb 0.62 -0.98 0.13 0.00 -1.16 0.00 0.00 32.46 31.07 1mx9 n ARG 5132CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1mx9 n LEU 5133N -0.30 4.10 -4.78 0.55 4.77 0.56 -4.13 117.00 117.77 1mx9 n LEU 5133Ca 0.05 0.57 -0.37 0.00 -0.03 0.00 0.00 56.01 56.23 1mx9 n LEU 5133Cb 0.83 -1.49 -0.04 0.00 -2.33 0.00 0.00 43.42 40.39 1mx9 n LEU 5133CO 0.16 -1.83 0.76 -2.16 -1.33 0.00 0.00 177.39 172.98 1mx9 s PRO 5134N -4.07 4.20 -0.13 3.23 0.04 -1.26 0.32 135.00 137.33 1mx9 s PRO 5134Ca 0.72 1.59 -0.05 0.00 0.04 0.00 0.00 61.00 63.31 1mx9 s PRO 5134Cb -0.29 -2.64 -0.04 0.00 0.04 0.00 0.00 34.50 31.57 1mx9 s PRO 5134CO 0.52 -0.13 0.05 0.08 0.04 0.00 0.00 177.00 177.57 1mx9 s VAL 5135N -1.56 4.74 -0.27 -0.36 1.01 -0.25 -2.44 120.40 121.28 1mx9 s VAL 5135Ca 0.56 -0.07 0.01 0.00 0.00 0.00 0.00 61.98 62.48 1mx9 s VAL 5135Cb -0.25 -3.07 0.08 0.00 0.00 0.00 0.00 36.38 33.14 1mx9 s VAL 5135CO 0.31 0.55 -0.00 -0.04 0.00 0.00 0.00 175.10 175.91 1mx9 s MET 5136N -0.41 1.43 -0.23 2.72 -1.94 0.11 0.43 119.30 121.42 1mx9 s MET 5136Ca 0.09 -1.20 -0.23 0.00 -1.71 0.00 0.00 55.69 52.64 1mx9 s MET 5136Cb -0.12 -2.61 -0.01 0.00 2.01 0.00 0.00 34.83 34.09 1mx9 s MET 5136CO 0.02 -0.74 0.74 0.08 -0.01 0.00 0.00 175.02 175.11 1mx9 s VAL 5137N 1.33 4.91 -0.35 -6.03 1.01 0.78 -0.86 120.40 121.20 1mx9 s VAL 5137Ca 0.01 1.40 -0.13 0.00 0.00 0.00 0.00 61.98 63.25 1mx9 s VAL 5137Cb -0.19 -4.04 -0.01 0.00 0.00 0.00 0.00 36.38 32.14 1mx9 s VAL 5137CO -0.10 -0.00 0.26 0.86 0.00 0.00 0.00 175.10 176.12 1mx9 s TRP 5138N 2.49 3.23 -0.34 5.22 -0.11 0.10 -1.08 118.94 128.46 1mx9 s TRP 5138Ca 0.32 -0.21 -0.11 0.00 1.22 0.00 0.00 56.10 57.33 1mx9 s TRP 5138Cb -0.16 -2.52 0.00 0.00 -1.50 0.00 0.00 33.47 29.30 1mx9 s TRP 5138CO 0.09 -0.39 0.19 0.42 -4.62 0.00 0.00 176.95 172.64 1mx9 s ILE 5139N 1.77 4.76 0.87 5.86 1.01 -0.47 -2.52 121.20 132.48 1mx9 s ILE 5139Ca 0.07 -0.51 -0.12 0.00 0.00 0.00 0.00 60.65 60.09 1mx9 s ILE 5139Cb -0.17 -3.51 0.12 0.00 0.01 0.00 0.00 42.46 38.91 1mx9 s ILE 5139CO 0.11 -0.05 1.10 -1.38 0.00 0.00 0.00 174.94 174.72 1mx9 s HIS 5140N 1.62 2.51 0.00 3.97 -3.43 -1.26 -3.75 115.29 114.95 1mx9 s HIS 5140Ca 0.04 1.12 0.00 0.00 -0.80 0.00 0.00 55.06 55.43 1mx9 s HIS 5140Cb -0.18 -3.19 0.00 0.00 -1.43 0.00 0.00 32.58 27.78 1mx9 s HIS 5140CO 0.07 -2.22 0.00 0.41 -2.00 0.00 0.00 174.74 171.00 1mx9 n GLY 5141N -1.64 1.36 0.00 -1.38 0.00 -1.23 -2.52 105.19 99.77 1mx9 n GLY 5141Ca 0.07 -1.98 0.00 0.00 0.00 0.00 0.00 46.02 44.10 1mx9 n GLY 5141CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mx9 n GLY 5142N 5.00 0.47 2.25 -0.02 0.00 -1.26 -4.39 105.19 107.24 1mx9 n GLY 5142Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1mx9 n GLY 5142CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mx9 n GLY 5143N 0.00 0.58 2.59 -0.02 0.00 -1.26 -1.76 105.19 105.32 1mx9 n GLY 5143Ca 0.00 -0.50 -0.21 0.00 0.00 0.00 0.00 46.02 45.31 1mx9 n GLY 5143CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1mx9 n LEU 5144N -1.33 -1.53 0.00 0.99 4.77 -1.26 -4.74 117.00 113.90 1mx9 n LEU 5144Ca -0.11 0.50 0.00 0.00 -0.03 0.00 0.00 56.01 56.37 1mx9 n LEU 5144Cb 0.46 -2.86 0.00 0.00 -2.33 0.00 0.00 43.42 38.69 1mx9 n LEU 5144CO 0.15 -1.07 -0.40 0.23 -1.33 0.00 0.00 177.39 174.97 1mx9 n MET 5145N -2.39 1.07 -4.06 3.23 2.81 -1.07 -0.71 117.12 116.00 1mx9 n MET 5145Ca -0.21 0.00 -0.20 0.00 -1.81 0.00 0.00 57.70 55.48 1mx9 n MET 5145Cb 0.68 -0.90 -0.07 0.00 -0.71 0.00 0.00 33.22 32.23 1mx9 n MET 5145CO 0.00 0.00 0.00 1.33 1.51 0.00 0.00 175.97 178.81 1mx9 n VAL 5146N -2.10 0.00 0.00 2.03 0.24 -0.72 -4.33 118.33 113.45 1mx9 n VAL 5146Ca 0.00 -2.13 0.00 0.00 -2.04 0.00 0.00 64.34 60.17 1mx9 n VAL 5146Cb 0.40 0.91 0.00 0.00 -1.47 0.00 0.00 33.84 33.68 1mx9 n VAL 5146CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1mx9 n GLY 5147N -0.51 2.85 3.30 7.63 0.00 -1.26 -4.16 105.19 113.04 1mx9 n GLY 5147Ca 0.00 -1.96 -0.13 0.00 0.00 0.00 0.00 46.02 43.94 1mx9 n GLY 5147CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mx9 s ALA 5148N -2.93 -0.90 0.07 4.61 0.00 -1.26 -4.57 121.76 116.77 1mx9 s ALA 5148Ca 0.00 0.25 -0.16 0.00 0.00 0.00 0.00 51.96 52.05 1mx9 s ALA 5148Cb 0.00 0.29 -0.16 0.00 0.00 0.00 0.00 23.12 23.25 1mx9 s ALA 5148CO 0.00 -0.41 1.28 0.00 0.00 0.00 0.00 175.76 176.62 1mx9 h ALA 5149N 3.19 0.26 -0.78 0.00 0.00 -1.87 -3.28 119.26 116.78 1mx9 h ALA 5149Ca -0.31 -0.51 0.18 0.00 0.00 0.00 0.00 54.91 54.27 1mx9 h ALA 5149Cb 1.20 -0.02 -0.13 0.00 0.00 0.00 0.00 17.79 18.83 1mx9 h ALA 5149CO 0.44 0.47 0.02 0.77 0.00 0.00 0.00 179.25 180.94 1mx9 h SER 5150N 0.28 -0.34 -1.23 0.00 0.02 -1.93 -1.81 113.55 108.55 1mx9 h SER 5150Ca -0.03 0.20 0.41 0.00 -0.84 0.00 0.00 61.79 61.54 1mx9 h SER 5150Cb 1.17 0.35 -0.11 0.00 0.14 0.00 0.00 62.40 63.95 1mx9 h SER 5150CO 0.11 -0.19 0.80 0.41 -1.14 0.00 0.00 176.83 176.83 1mx9 n THR 5151N -5.35 -0.18 -3.67 -2.27 -1.04 -1.24 -3.88 114.28 96.65 1mx9 n THR 5151Ca 0.14 1.48 -0.39 0.00 -2.04 0.00 0.00 64.05 63.24 1mx9 n THR 5151Cb 0.50 -2.43 -0.12 0.00 -1.82 0.00 0.00 70.33 66.46 1mx9 n THR 5151CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 1mx9 s TYR 5152N -4.93 3.25 -0.17 -1.42 1.51 -0.68 -3.83 117.35 111.07 1mx9 s TYR 5152Ca -0.06 -1.16 -0.26 0.00 -1.01 0.00 0.00 57.07 54.58 1mx9 s TYR 5152Cb 0.26 -2.36 -0.01 0.00 -0.11 0.00 0.00 41.96 39.73 1mx9 s TYR 5152CO 0.70 -0.68 0.88 0.34 -1.11 0.00 0.00 175.55 175.68 1mx9 s ASP 5153N 1.49 7.00 -0.29 2.29 3.68 -1.25 -4.91 116.67 124.68 1mx9 s ASP 5153Ca 0.00 1.23 0.07 0.00 2.13 0.00 0.00 52.55 55.99 1mx9 s ASP 5153Cb -0.19 -2.48 0.61 0.00 -1.45 0.00 0.00 42.92 39.41 1mx9 s ASP 5153CO 0.05 -0.45 1.65 0.61 0.13 0.00 0.00 175.17 177.16 1mx9 n GLY 5154N 3.42 3.43 0.46 2.66 0.00 -1.26 -4.63 105.19 109.27 1mx9 n GLY 5154Ca 0.06 -0.83 -0.18 0.00 0.00 0.00 0.00 46.02 45.07 1mx9 n GLY 5154CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1mx9 h LEU 5155N 2.07 -0.98 0.60 0.99 6.46 -1.92 -2.64 115.31 119.88 1mx9 h LEU 5155Ca 0.28 0.03 -0.03 0.00 -0.12 0.00 0.00 57.88 58.05 1mx9 h LEU 5155Cb 2.16 0.25 -0.00 0.00 -0.73 0.00 0.00 40.66 42.34 1mx9 h LEU 5155CO 0.68 -0.66 -0.34 0.00 -0.62 0.00 0.00 178.44 177.50 1mx9 h ALA 5156N -1.39 -0.88 -0.93 1.25 0.00 -1.83 -1.48 119.26 114.00 1mx9 h ALA 5156Ca -0.12 -0.18 0.18 0.00 0.00 0.00 0.00 54.91 54.79 1mx9 h ALA 5156Cb 0.89 0.40 -0.10 0.00 0.00 0.00 0.00 17.79 18.97 1mx9 h ALA 5156CO 0.19 -1.00 0.52 1.25 0.00 0.00 0.00 179.25 180.21 1mx9 h LEU 5157N -0.87 0.63 0.77 0.00 5.85 -1.79 0.96 115.31 120.86 1mx9 h LEU 5157Ca -0.08 0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.71 1mx9 h LEU 5157Cb 0.69 -0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.73 1mx9 h LEU 5157CO 0.10 0.22 -0.37 0.00 -0.34 0.00 0.00 178.44 178.05 1mx9 h ALA 5158N 1.62 -1.03 0.73 1.25 0.00 -1.28 -2.65 119.26 117.89 1mx9 h ALA 5158Ca 0.53 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 55.18 1mx9 h ALA 5158Cb 0.83 0.40 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1mx9 h ALA 5158CO -0.39 -1.03 -0.39 0.00 0.00 0.00 0.00 179.25 177.44 1mx9 h ALA 5159N -0.98 -1.25 -0.71 0.00 0.00 -0.25 0.18 119.26 116.26 1mx9 h ALA 5159Ca -0.11 -0.22 0.21 0.00 0.00 0.00 0.00 54.91 54.79 1mx9 h ALA 5159Cb 0.81 0.47 -0.03 0.00 0.00 0.00 0.00 17.79 19.04 1mx9 h ALA 5159CO 0.17 -1.19 0.65 0.45 0.00 0.00 0.00 179.25 179.33 1mx9 h HIS 5160N -1.03 0.00 0.00 0.00 -0.00 0.82 -2.45 115.15 112.49 1mx9 h HIS 5160Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.27 1mx9 h HIS 5160Cb 0.81 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.22 1mx9 h HIS 5160CO -0.01 0.00 0.00 0.39 -0.00 0.00 0.00 177.93 178.31 1mx9 n GLU 5161N -3.83 1.49 -3.51 2.45 -0.58 -1.00 -4.94 120.64 110.73 1mx9 n GLU 5161Ca 0.14 -0.99 -0.18 0.00 -0.42 0.00 0.00 57.16 55.71 1mx9 n GLU 5161Cb 0.91 -0.78 0.07 0.00 -0.57 0.00 0.00 31.44 31.07 1mx9 n GLU 5161CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1mx9 n ASN 5162N -0.26 -1.87 -4.29 1.62 4.05 0.49 -5.02 115.26 109.98 1mx9 n ASN 5162Ca 0.00 -0.68 -0.19 0.00 0.45 0.00 0.00 54.58 54.16 1mx9 n ASN 5162Cb 0.34 -4.81 -0.11 0.00 1.23 0.00 0.00 39.78 36.43 1mx9 n ASN 5162CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 177.26 174.89 1mx9 s VAL 5163N -3.45 1.57 -0.43 3.44 -7.23 -0.37 -4.65 120.40 109.29 1mx9 s VAL 5163Ca 0.01 -1.91 -0.24 0.00 -1.81 0.00 0.00 61.98 58.04 1mx9 s VAL 5163Cb -0.01 -1.76 0.02 0.00 0.56 0.00 0.00 36.38 35.19 1mx9 s VAL 5163CO 0.75 -0.44 0.84 -0.69 -0.31 0.00 0.00 175.10 175.26 1mx9 s VAL 5164N -2.35 4.60 -0.21 1.32 1.01 -1.02 -4.18 120.40 119.57 1mx9 s VAL 5164Ca 0.14 0.70 -0.15 0.00 0.00 0.00 0.00 61.98 62.68 1mx9 s VAL 5164Cb -0.04 -4.34 -0.04 0.00 0.00 0.00 0.00 36.38 31.96 1mx9 s VAL 5164CO 0.05 -0.68 0.35 -0.69 0.00 0.00 0.00 175.10 174.13 1mx9 s VAL 5165N 3.43 5.23 -0.30 2.92 1.01 -0.26 -0.71 120.40 131.71 1mx9 s VAL 5165Ca 0.33 0.61 0.02 0.00 0.00 0.00 0.00 61.98 62.95 1mx9 s VAL 5165Cb -0.12 -3.69 0.09 0.00 0.00 0.00 0.00 36.38 32.66 1mx9 s VAL 5165CO 0.22 0.27 0.01 -0.69 0.00 0.00 0.00 175.10 174.91 1mx9 s VAL 5166N 1.24 1.90 -0.56 2.92 1.01 -0.04 -1.05 120.40 125.83 1mx9 s VAL 5166Ca 0.17 -1.86 -0.22 0.00 0.00 0.00 0.00 61.98 60.07 1mx9 s VAL 5166Cb -0.14 -2.29 0.06 0.00 0.00 0.00 0.00 36.38 34.00 1mx9 s VAL 5166CO 0.07 -0.42 0.83 0.42 0.00 0.00 0.00 175.10 176.01 1mx9 s THR 5167N 1.14 4.55 0.38 3.92 -4.23 -0.67 0.01 115.64 120.74 1mx9 s THR 5167Ca 0.04 -0.15 0.04 0.00 -1.18 0.00 0.00 61.69 60.44 1mx9 s THR 5167Cb -0.19 -4.49 -0.01 0.00 1.34 0.00 0.00 72.50 69.16 1mx9 s THR 5167CO -0.10 -1.08 0.55 0.27 -0.54 0.00 0.00 174.62 173.72 1mx9 s ILE 5168N 3.49 4.11 0.10 2.99 -4.36 -1.05 -1.71 121.20 124.76 1mx9 s ILE 5168Ca 0.23 -0.77 0.09 0.00 -0.26 0.00 0.00 60.65 59.93 1mx9 s ILE 5168Cb -0.16 -3.47 -0.03 0.00 1.25 0.00 0.00 42.46 40.05 1mx9 s ILE 5168CO 0.15 -0.24 -0.23 -1.10 0.24 0.00 0.00 174.94 173.75 1mx9 s GLN 5169N -4.33 1.25 0.05 0.37 -0.21 -0.93 -4.43 119.66 111.44 1mx9 s GLN 5169Ca 0.46 -1.18 0.01 0.00 0.02 0.00 0.00 55.36 54.67 1mx9 s GLN 5169Cb -0.10 -1.56 -0.03 0.00 1.00 0.00 0.00 33.01 32.33 1mx9 s GLN 5169CO 0.34 0.37 -0.06 1.52 -2.12 0.00 0.00 175.29 175.34 1mx9 s TYR 5170N -1.08 0.63 0.19 0.91 1.13 -1.26 -4.57 117.35 113.30 1mx9 s TYR 5170Ca 0.09 -0.67 -0.33 0.00 -1.41 0.00 0.00 57.07 54.75 1mx9 s TYR 5170Cb -0.10 -0.39 -0.13 0.00 -1.10 0.00 0.00 41.96 40.25 1mx9 s TYR 5170CO 0.04 -0.15 1.63 0.54 -2.51 0.00 0.00 175.55 175.10 1mx9 n ARG 5171N 0.99 2.42 -4.15 -3.49 1.74 -1.26 -4.85 116.66 108.05 1mx9 n ARG 5171Ca -0.20 0.87 -0.25 0.00 -0.77 0.00 0.00 57.85 57.51 1mx9 n ARG 5171Cb 0.57 -2.67 -0.07 0.00 -1.02 0.00 0.00 32.46 29.27 1mx9 n ARG 5171CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1mx9 s LEU 5172N 0.89 3.11 0.00 0.55 1.43 -1.26 -4.06 118.68 119.34 1mx9 s LEU 5172Ca 0.76 -1.06 0.00 0.00 -1.03 0.00 0.00 54.13 52.80 1mx9 s LEU 5172Cb -0.60 -1.44 0.00 0.00 0.03 0.00 0.00 46.19 44.18 1mx9 s LEU 5172CO 0.37 -0.50 0.00 0.61 0.23 0.00 0.00 176.35 177.06 1mx9 n GLY 5173N -1.20 0.96 0.38 -3.19 0.00 0.12 -1.67 105.19 100.59 1mx9 n GLY 5173Ca -0.02 -0.62 0.23 0.00 0.00 0.00 0.00 46.02 45.61 1mx9 n GLY 5173CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1mx9 h ILE 5174N 0.00 0.44 -0.23 -0.61 2.04 -1.92 0.42 117.51 117.65 1mx9 h ILE 5174Ca 0.00 -0.14 -0.05 0.00 1.00 0.00 0.00 64.86 65.66 1mx9 h ILE 5174Cb 0.00 -0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.06 1mx9 h ILE 5174CO 0.00 0.07 -0.09 -0.50 0.00 0.00 0.00 178.15 177.63 1mx9 h TRP 5175N 0.41 0.39 0.00 1.37 6.55 -1.86 -2.68 115.95 120.14 1mx9 h TRP 5175Ca 0.66 -0.05 0.00 0.00 0.95 0.00 0.00 58.89 60.45 1mx9 h TRP 5175Cb 1.56 -0.11 0.00 0.00 -0.86 0.00 0.00 29.16 29.75 1mx9 h TRP 5175CO -0.01 0.47 -1.33 0.41 -1.05 0.00 0.00 178.44 176.93 1mx9 n GLY 5176N -0.82 -0.73 0.32 1.49 0.00 0.12 -4.53 105.19 101.04 1mx9 n GLY 5176Ca 0.00 -0.46 0.01 0.00 0.00 0.00 0.00 46.02 45.57 1mx9 n GLY 5176CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1mx9 n PHE 5177N -1.78 0.00 -1.99 1.61 3.72 0.38 -0.60 117.46 118.80 1mx9 n PHE 5177Ca -0.00 -0.10 -0.42 0.00 -0.05 0.00 0.00 57.45 56.87 1mx9 n PHE 5177Cb 0.37 -0.05 -0.03 0.00 -0.94 0.00 0.00 39.48 38.84 1mx9 n PHE 5177CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 176.76 176.83 1mx9 s PHE 5178N -0.28 2.23 -0.03 1.38 2.19 -1.01 -4.57 117.98 117.88 1mx9 s PHE 5178Ca 0.03 0.29 0.01 0.00 0.33 0.00 0.00 56.93 57.59 1mx9 s PHE 5178Cb 0.02 -3.91 0.03 0.00 -1.31 0.00 0.00 43.02 37.85 1mx9 s PHE 5178CO 0.00 -3.74 -0.00 0.45 1.83 0.00 0.00 175.22 173.75 1mx9 s SER 5179N 2.85 0.46 0.00 6.13 0.15 -1.26 -4.01 113.70 118.02 1mx9 s SER 5179Ca 0.73 -0.04 0.23 0.00 0.70 0.00 0.00 55.95 57.57 1mx9 s SER 5179Cb -0.36 -0.24 0.36 0.00 -1.71 0.00 0.00 66.02 64.07 1mx9 s SER 5179CO 0.31 -0.09 1.34 0.35 1.20 0.00 0.00 173.24 176.35 1mx9 n THR 5180N 4.10 0.39 -1.18 6.45 -2.24 -0.43 -4.46 114.28 116.91 1mx9 n THR 5180Ca -0.27 -0.69 -0.04 0.00 -2.27 0.00 0.00 64.05 60.78 1mx9 n THR 5180Cb 0.50 1.10 -0.02 0.00 -2.10 0.00 0.00 70.33 69.82 1mx9 n THR 5180CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mx9 n GLY 5181N 1.41 0.66 3.72 3.38 0.00 -1.25 -4.56 105.19 108.56 1mx9 n GLY 5181Ca 0.17 -0.88 -0.10 0.00 0.00 0.00 0.00 46.02 45.22 1mx9 n GLY 5181CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1mx9 s ASP 5182N -2.95 0.17 0.53 1.61 3.84 -1.26 -5.03 116.67 113.57 1mx9 s ASP 5182Ca 0.00 -1.13 0.33 0.00 -0.00 0.00 0.00 52.55 51.75 1mx9 s ASP 5182Cb 0.00 0.77 1.48 0.00 -1.38 0.00 0.00 42.92 43.78 1mx9 s ASP 5182CO 0.00 -1.50 1.84 1.05 -0.00 0.00 0.00 175.17 176.56 1mx9 h GLU 5183N 2.05 0.04 -0.03 2.11 9.09 -1.95 -0.36 114.58 125.53 1mx9 h GLU 5183Ca -0.29 -0.00 0.01 0.00 0.05 0.00 0.00 59.36 59.13 1mx9 h GLU 5183Cb 1.25 -0.01 -0.00 0.00 -1.65 0.00 0.00 28.75 28.34 1mx9 h GLU 5183CO 0.37 0.03 0.07 0.45 0.05 0.00 0.00 179.01 179.98 1mx9 h HIS 5184N 0.04 0.00 -0.05 2.06 3.86 -1.96 -3.37 115.15 115.73 1mx9 h HIS 5184Ca 0.51 0.00 0.10 0.00 -1.16 0.00 0.00 60.37 59.81 1mx9 h HIS 5184Cb 1.95 0.00 -0.16 0.00 1.06 0.00 0.00 27.41 30.26 1mx9 h HIS 5184CO -0.00 0.00 -0.05 0.45 0.86 0.00 0.00 177.93 179.19 1mx9 s SER 5185N -5.48 -0.08 0.08 2.45 0.15 -0.18 -4.94 113.70 105.70 1mx9 s SER 5185Ca -0.05 -0.07 -0.28 0.00 0.70 0.00 0.00 55.95 56.26 1mx9 s SER 5185Cb 0.14 0.10 -0.17 0.00 -1.71 0.00 0.00 66.02 64.37 1mx9 s SER 5185CO 0.46 -0.01 1.67 0.03 1.20 0.00 0.00 173.24 176.59 1mx9 h ARG 5186N 4.52 -0.43 0.00 5.44 3.08 -1.65 -1.13 114.38 124.22 1mx9 h ARG 5186Ca -0.03 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1mx9 h ARG 5186Cb 1.21 0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.36 1mx9 h ARG 5186CO -0.12 -0.28 0.00 0.41 -1.07 0.00 0.00 179.97 178.91 1mx9 n GLY 5187N -1.24 -0.57 3.43 0.04 0.00 -1.26 -4.57 105.19 101.02 1mx9 n GLY 5187Ca -0.10 -2.27 -0.22 0.00 0.00 0.00 0.00 46.02 43.43 1mx9 n GLY 5187CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1mx9 n ASN 5188N 0.00 -6.02 0.06 1.61 3.02 -1.24 -4.87 115.26 107.82 1mx9 n ASN 5188Ca 0.00 -0.50 -0.03 0.00 -0.03 0.00 0.00 54.58 54.02 1mx9 n ASN 5188Cb 0.00 -4.67 0.20 0.00 -0.61 0.00 0.00 39.78 34.70 1mx9 n ASN 5188CO 0.00 0.00 0.00 -0.50 -2.62 0.00 0.00 177.26 174.14 1mx9 h TRP 5189N -2.49 0.40 -0.10 3.10 4.06 -1.19 -2.16 115.95 117.56 1mx9 h TRP 5189Ca -0.52 -0.10 0.01 0.00 2.06 0.00 0.00 58.89 60.33 1mx9 h TRP 5189Cb 1.34 -0.09 -0.01 0.00 -1.00 0.00 0.00 29.16 29.40 1mx9 h TRP 5189CO 0.46 0.68 0.05 0.78 -3.56 0.00 0.00 178.44 176.84 1mx9 h GLY 5190N 1.15 0.13 1.71 1.49 0.00 -1.35 -1.05 103.07 105.14 1mx9 h GLY 5190Ca 0.03 -0.03 -0.03 0.00 0.00 0.00 0.00 47.33 47.29 1mx9 h GLY 5190CO 0.06 0.03 0.01 0.45 0.00 0.00 0.00 176.54 177.10 1mx9 h HIS 5191N 0.10 0.38 -0.11 5.60 3.86 -1.79 -0.09 115.15 123.10 1mx9 h HIS 5191Ca 0.04 -0.02 -0.07 0.00 -1.16 0.00 0.00 60.37 59.15 1mx9 h HIS 5191Cb 0.01 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 28.35 1mx9 h HIS 5191CO -0.09 0.38 -0.26 -0.07 0.86 0.00 0.00 177.93 178.75 1mx9 h LEU 5192N 0.37 0.19 -0.63 2.43 3.38 -0.78 0.11 115.31 120.38 1mx9 h LEU 5192Ca 0.09 -0.06 -0.15 0.00 0.09 0.00 0.00 57.88 57.85 1mx9 h LEU 5192Cb 0.23 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1mx9 h LEU 5192CO 0.00 0.46 -0.55 0.44 0.09 0.00 0.00 178.44 178.88 1mx9 h ASP 5193N 0.18 0.43 -0.17 -0.43 3.32 0.25 -0.48 116.42 119.51 1mx9 h ASP 5193Ca 0.03 -0.23 -0.08 0.00 0.02 0.00 0.00 57.03 56.77 1mx9 h ASP 5193Cb 0.56 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 39.99 1mx9 h ASP 5193CO 0.04 0.90 -0.20 1.56 -1.72 0.00 0.00 179.24 179.82 1mx9 h GLN 5194N 0.30 0.43 0.00 3.56 4.20 -0.81 0.13 115.11 122.92 1mx9 h GLN 5194Ca 0.00 -0.24 -0.01 0.00 0.06 0.00 0.00 58.65 58.46 1mx9 h GLN 5194Cb 1.06 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.85 1mx9 h GLN 5194CO 0.09 0.82 -0.06 0.28 -0.67 0.00 0.00 178.83 179.29 1mx9 h VAL 5195N 0.08 0.71 -0.02 -0.54 2.07 -0.85 -1.98 116.25 115.72 1mx9 h VAL 5195Ca 0.02 -0.22 -0.10 0.00 0.82 0.00 0.00 66.70 67.22 1mx9 h VAL 5195Cb 0.75 1.13 0.01 0.00 -1.52 0.00 0.00 31.29 31.66 1mx9 h VAL 5195CO 0.05 0.06 -0.37 0.00 0.02 0.00 0.00 177.57 177.32 1mx9 h ALA 5196N 1.94 0.07 -0.43 1.67 0.00 -0.28 -2.61 119.26 119.62 1mx9 h ALA 5196Ca -0.00 -0.49 0.06 0.00 0.00 0.00 0.00 54.91 54.47 1mx9 h ALA 5196Cb 0.13 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 1mx9 h ALA 5196CO 0.01 0.19 0.14 0.00 0.00 0.00 0.00 179.25 179.58 1mx9 h ALA 5197N 0.32 0.50 -0.15 0.00 0.00 -0.32 -1.77 119.26 117.84 1mx9 h ALA 5197Ca -0.04 0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.97 1mx9 h ALA 5197Cb 1.09 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.87 1mx9 h ALA 5197CO 0.07 -0.25 -0.17 -0.07 0.00 0.00 0.00 179.25 178.83 1mx9 h LEU 5198N 0.30 -0.52 -1.67 0.00 3.38 -1.41 0.25 115.31 115.64 1mx9 h LEU 5198Ca 0.20 0.10 0.14 0.00 0.09 0.00 0.00 57.88 58.41 1mx9 h LEU 5198Cb 0.20 0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.16 1mx9 h LEU 5198CO -0.22 -0.21 0.46 -0.09 0.09 0.00 0.00 178.44 178.47 1mx9 h ARG 5199N -0.20 0.32 -0.33 1.13 9.65 -1.04 0.15 114.38 124.07 1mx9 h ARG 5199Ca 0.10 -0.02 -0.17 0.00 -1.10 0.00 0.00 59.98 58.79 1mx9 h ARG 5199Cb 0.35 -0.07 -0.00 0.00 -1.39 0.00 0.00 29.97 28.85 1mx9 h ARG 5199CO -0.26 0.21 -0.47 2.35 2.80 0.00 0.00 179.97 184.60 1mx9 h TRP 5200N 0.33 1.07 -0.31 2.20 7.01 -0.16 -2.42 115.95 123.68 1mx9 h TRP 5200Ca 0.33 -0.35 0.02 0.00 2.11 0.00 0.00 58.89 61.00 1mx9 h TRP 5200Cb 0.83 -0.21 -0.03 0.00 -2.10 0.00 0.00 29.16 27.65 1mx9 h TRP 5200CO -0.00 1.17 0.15 0.28 -2.79 0.00 0.00 178.44 177.25 1mx9 h VAL 5201N 0.69 0.98 -0.09 2.65 2.07 0.97 0.15 116.25 123.67 1mx9 h VAL 5201Ca 0.04 -0.11 0.04 0.00 0.82 0.00 0.00 66.70 67.49 1mx9 h VAL 5201Cb 1.06 0.64 -0.06 0.00 -1.52 0.00 0.00 31.29 31.41 1mx9 h VAL 5201CO 0.11 0.06 -0.42 1.56 0.02 0.00 0.00 177.57 178.89 1mx9 h GLN 5202N 0.31 -0.50 0.00 1.57 1.08 -0.97 0.21 115.11 116.81 1mx9 h GLN 5202Ca 0.13 0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.36 1mx9 h GLN 5202Cb 0.05 0.11 0.00 0.00 -0.05 0.00 0.00 27.48 27.59 1mx9 h GLN 5202CO -0.10 -0.33 0.00 -0.25 -0.95 0.00 0.00 178.83 177.20 1mx9 n ASP 5203N -5.44 0.00 0.00 1.46 8.00 -0.89 -4.19 116.55 115.49 1mx9 n ASP 5203Ca -0.05 -0.03 0.00 0.00 0.71 0.00 0.00 54.79 55.42 1mx9 n ASP 5203Cb 0.36 -0.27 0.00 0.00 -0.02 0.00 0.00 41.12 41.20 1mx9 n ASP 5203CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1mx9 n ASN 5204N -1.27 0.00 0.06 -2.24 3.02 0.48 -4.65 115.26 110.67 1mx9 n ASN 5204Ca 0.10 -0.78 -0.06 0.00 -0.03 0.00 0.00 54.58 53.81 1mx9 n ASN 5204Cb 0.15 0.00 0.11 0.00 -0.61 0.00 0.00 39.78 39.43 1mx9 n ASN 5204CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 1mx9 h ILE 5205N 0.78 1.36 -0.20 2.41 6.09 -0.79 -3.01 117.51 124.15 1mx9 h ILE 5205Ca 0.00 -1.90 0.06 0.00 -1.37 0.00 0.00 64.86 61.65 1mx9 h ILE 5205Cb 0.39 1.92 -0.01 0.00 0.47 0.00 0.00 36.82 39.59 1mx9 h ILE 5205CO 0.00 0.57 0.29 0.00 -3.07 0.00 0.00 178.15 175.94 1mx9 h ALA 5206N 1.13 1.74 0.00 0.18 0.00 -1.81 0.72 119.26 121.22 1mx9 h ALA 5206Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1mx9 h ALA 5206Cb 1.09 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1mx9 h ALA 5206CO 0.10 -0.40 0.00 0.43 0.00 0.00 0.00 179.25 179.38 1mx9 n SER 5207N -3.51 0.00 -0.37 0.00 7.64 -1.14 -3.04 113.62 113.20 1mx9 n SER 5207Ca 0.02 -0.18 0.08 0.00 1.01 0.00 0.00 58.87 59.80 1mx9 n SER 5207Cb 0.41 -0.25 0.16 0.00 -1.01 0.00 0.00 64.21 63.52 1mx9 n SER 5207CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1mx9 n PHE 5208N -1.25 0.00 -1.65 1.43 3.01 0.25 -4.76 117.46 114.49 1mx9 n PHE 5208Ca 0.13 -1.15 -0.11 0.00 1.01 0.00 0.00 57.45 57.34 1mx9 n PHE 5208Cb 0.19 -0.19 -0.03 0.00 -0.01 0.00 0.00 39.48 39.45 1mx9 n PHE 5208CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1mx9 n GLY 5209N -1.17 0.72 3.86 1.37 0.00 -1.17 -4.77 105.19 104.03 1mx9 n GLY 5209Ca 0.16 -0.50 -0.21 0.00 0.00 0.00 0.00 46.02 45.47 1mx9 n GLY 5209CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1mx9 s GLY 5210N -2.75 1.48 -0.32 -0.02 0.00 -0.99 -0.32 107.32 104.40 1mx9 s GLY 5210Ca 0.00 -1.45 -0.05 0.00 0.00 0.00 0.00 44.72 43.22 1mx9 s GLY 5210CO 0.00 -1.45 0.06 0.21 0.00 0.00 0.00 173.10 171.92 1mx9 s ASN 5211N -3.92 5.12 0.00 1.64 2.47 0.15 -3.76 114.94 116.64 1mx9 s ASN 5211Ca 0.36 -1.14 0.11 0.00 0.42 0.00 0.00 52.86 52.60 1mx9 s ASN 5211Cb -0.08 -1.81 0.55 0.00 -1.45 0.00 0.00 41.25 38.47 1mx9 s ASN 5211CO 0.26 -0.29 1.21 -0.81 -3.72 0.00 0.00 177.10 173.76 1mx9 n PRO 5212N 4.75 0.18 0.00 0.43 -0.04 -1.26 -1.54 135.00 137.51 1mx9 n PRO 5212Ca -0.13 0.16 0.12 0.00 -0.04 0.00 0.00 63.50 63.61 1mx9 n PRO 5212Cb 0.45 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.48 1mx9 n PRO 5212CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1mx9 n GLY 5213N -0.38 0.75 2.37 0.55 0.00 -1.26 -4.62 105.19 102.60 1mx9 n GLY 5213Ca 0.05 -0.68 -0.25 0.00 0.00 0.00 0.00 46.02 45.14 1mx9 n GLY 5213CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1mx9 n SER 5214N 0.99 -0.50 -4.39 1.61 2.88 -0.59 -4.89 113.62 108.73 1mx9 n SER 5214Ca 0.13 -2.47 -0.34 0.00 -1.33 0.00 0.00 58.87 54.86 1mx9 n SER 5214Cb 0.56 -0.45 -0.13 0.00 -0.75 0.00 0.00 64.21 63.44 1mx9 n SER 5214CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1mx9 s VAL 5215N -0.15 3.50 -0.21 2.46 1.01 -1.26 -1.09 120.40 124.66 1mx9 s VAL 5215Ca 0.33 -0.48 -0.04 0.00 0.00 0.00 0.00 61.98 61.80 1mx9 s VAL 5215Cb 0.07 -2.55 -0.01 0.00 0.00 0.00 0.00 36.38 33.89 1mx9 s VAL 5215CO -0.18 0.46 -0.05 -0.89 0.00 0.00 0.00 175.10 174.45 1mx9 s THR 5216N 0.88 3.45 -0.10 3.92 2.01 0.17 -0.75 115.64 125.22 1mx9 s THR 5216Ca -0.01 -0.48 -0.09 0.00 0.31 0.00 0.00 61.69 61.42 1mx9 s THR 5216Cb -0.15 -2.55 -0.04 0.00 0.01 0.00 0.00 72.50 69.77 1mx9 s THR 5216CO 0.01 0.44 0.19 0.27 -0.69 0.00 0.00 174.62 174.84 1mx9 s ILE 5217N 1.24 5.41 -0.20 1.82 -4.36 0.15 -0.16 121.20 125.11 1mx9 s ILE 5217Ca 0.03 0.34 -0.20 0.00 -0.26 0.00 0.00 60.65 60.55 1mx9 s ILE 5217Cb -0.14 -3.47 0.06 0.00 1.25 0.00 0.00 42.46 40.15 1mx9 s ILE 5217CO -0.01 0.59 0.57 0.72 0.24 0.00 0.00 174.94 177.05 1mx9 s PHE 5218N -0.91 -0.62 0.22 1.37 -0.71 -0.24 -0.26 117.98 116.84 1mx9 s PHE 5218Ca 0.16 1.48 -0.22 0.00 -1.04 0.00 0.00 56.93 57.31 1mx9 s PHE 5218Cb -0.13 0.22 0.04 0.00 -1.21 0.00 0.00 43.02 41.94 1mx9 s PHE 5218CO 0.05 -0.32 0.74 0.20 -1.34 0.00 0.00 175.22 174.55 1mx9 s GLY 5219N 0.18 -0.24 -0.00 1.99 0.00 -0.78 -1.37 107.32 107.09 1mx9 s GLY 5219Ca -0.01 -0.01 0.07 0.00 0.00 0.00 0.00 44.72 44.77 1mx9 s GLY 5219CO 0.01 -0.00 -0.20 -1.83 0.00 0.00 0.00 173.10 171.08 1mx9 s GLU 5220N -3.75 2.17 7.90 2.90 4.04 -1.25 -1.41 118.70 129.30 1mx9 s GLU 5220Ca 0.09 -0.90 0.00 0.00 0.04 0.00 0.00 54.97 54.19 1mx9 s GLU 5220Cb -0.04 -2.18 0.00 0.00 0.02 0.00 0.00 34.13 31.93 1mx9 s GLU 5220CO 0.01 0.57 0.00 0.45 -1.84 0.00 0.00 175.26 174.45 1mx9 n SER 5221N 2.03 0.00 -0.04 0.83 2.88 -0.37 -1.82 113.62 117.12 1mx9 n SER 5221Ca -0.16 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.38 1mx9 n SER 5221Cb 0.52 0.00 0.31 0.00 -0.75 0.00 0.00 64.21 64.29 1mx9 n SER 5221CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1mx9 h ALA 5222N -0.42 1.46 -0.46 -1.46 0.00 -1.85 2.92 119.26 119.45 1mx9 h ALA 5222Ca 0.00 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 1mx9 h ALA 5222Cb 0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1mx9 h ALA 5222CO 0.00 0.41 0.03 0.78 0.00 0.00 0.00 179.25 180.47 1mx9 h GLY 5223N 0.79 0.85 1.23 0.00 0.00 -1.06 1.65 103.07 106.53 1mx9 h GLY 5223Ca 0.15 -0.60 -0.07 0.00 0.00 0.00 0.00 47.33 46.80 1mx9 h GLY 5223CO -0.01 0.56 0.07 -1.33 0.00 0.00 0.00 176.54 175.82 1mx9 h GLY 5224N 0.64 1.02 0.59 4.60 0.00 -0.58 0.34 103.07 109.69 1mx9 h GLY 5224Ca 0.13 -0.67 -0.03 0.00 0.00 0.00 0.00 47.33 46.77 1mx9 h GLY 5224CO 0.02 0.62 -0.26 -2.09 0.00 0.00 0.00 176.54 174.83 1mx9 h GLU 5225N 0.89 -0.71 -0.81 4.80 4.22 0.57 -1.27 114.58 122.26 1mx9 h GLU 5225Ca 0.18 0.05 0.12 0.00 0.08 0.00 0.00 59.36 59.78 1mx9 h GLU 5225Cb 0.43 0.16 -0.13 0.00 0.50 0.00 0.00 28.75 29.71 1mx9 h GLU 5225CO 0.01 -0.44 -0.43 0.77 -2.18 0.00 0.00 179.01 176.75 1mx9 h SER 5226N -1.15 -1.54 -0.73 1.04 0.02 0.26 0.83 113.55 112.28 1mx9 h SER 5226Ca -0.07 0.28 0.08 0.00 -0.84 0.00 0.00 61.79 61.24 1mx9 h SER 5226Cb 0.60 0.74 -0.07 0.00 0.14 0.00 0.00 62.40 63.81 1mx9 h SER 5226CO 0.12 -0.30 0.39 0.58 -1.14 0.00 0.00 176.83 176.49 1mx9 h VAL 5227N -0.10 0.90 -0.59 2.27 2.07 -0.33 0.13 116.25 120.59 1mx9 h VAL 5227Ca 0.25 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.54 1mx9 h VAL 5227Cb 0.55 0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 30.45 1mx9 h VAL 5227CO -0.85 0.12 0.38 -1.28 0.02 0.00 0.00 177.57 175.97 1mx9 h SER 5228N 0.68 0.68 -0.38 0.57 0.87 0.17 -2.10 113.55 114.03 1mx9 h SER 5228Ca 0.35 -0.02 -0.16 0.00 -1.23 0.00 0.00 61.79 60.73 1mx9 h SER 5228Cb 0.32 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.10 1mx9 h SER 5228CO -0.24 0.51 -0.39 0.58 -0.53 0.00 0.00 176.83 176.76 1mx9 h VAL 5229N 0.80 1.27 -0.23 2.23 2.07 0.23 -2.94 116.25 119.68 1mx9 h VAL 5229Ca 0.21 -1.56 -0.02 0.00 0.82 0.00 0.00 66.70 66.16 1mx9 h VAL 5229Cb -0.07 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 1mx9 h VAL 5229CO -0.04 0.52 0.07 -0.07 0.02 0.00 0.00 177.57 178.07 1mx9 h LEU 5230N 0.75 0.29 -1.58 2.57 3.38 -0.33 -1.78 115.31 118.61 1mx9 h LEU 5230Ca 0.06 -0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.03 1mx9 h LEU 5230Cb 0.98 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.64 1mx9 h LEU 5230CO 0.10 0.29 0.31 0.58 0.09 0.00 0.00 178.44 179.81 1mx9 h VAL 5231N 0.33 1.07 0.00 1.22 2.07 -1.23 -2.81 116.25 116.89 1mx9 h VAL 5231Ca 0.08 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.41 1mx9 h VAL 5231Cb 0.11 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 30.34 1mx9 h VAL 5231CO -0.01 0.10 -0.90 0.18 0.02 0.00 0.00 177.57 176.97 1mx9 n LEU 5232N -4.47 0.72 -4.80 2.57 4.77 -0.72 -4.94 117.00 110.13 1mx9 n LEU 5232Ca 0.05 0.21 -0.38 0.00 -0.03 0.00 0.00 56.01 55.85 1mx9 n LEU 5232Cb 0.12 -0.11 -0.06 0.00 -2.33 0.00 0.00 43.42 41.04 1mx9 n LEU 5232CO 0.35 -0.08 0.21 -0.55 -1.33 0.00 0.00 177.39 175.99 1mx9 s SER 5233N -4.61 6.92 0.36 -1.43 0.15 -0.90 -4.92 113.70 109.28 1mx9 s SER 5233Ca 0.03 1.09 0.27 0.00 0.70 0.00 0.00 55.95 58.04 1mx9 s SER 5233Cb 0.12 -2.32 0.89 0.00 -1.71 0.00 0.00 66.02 63.00 1mx9 s SER 5233CO 0.77 0.22 1.78 1.55 1.20 0.00 0.00 173.24 178.76 1mx9 h PRO 5234N 5.09 0.00 0.00 5.44 0.13 -1.87 -2.92 132.00 137.87 1mx9 h PRO 5234Ca -0.48 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.63 1mx9 h PRO 5234Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 1mx9 h PRO 5234CO 0.66 0.00 -0.07 -0.07 -0.23 0.00 0.00 178.00 178.29 1mx9 h LEU 5235N 0.00 0.00 -2.14 1.56 3.38 -1.84 -1.67 115.31 114.60 1mx9 h LEU 5235Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1mx9 h LEU 5235Cb 0.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1mx9 h LEU 5235CO 0.00 0.07 0.00 0.00 0.09 0.00 0.00 178.44 178.60 1mx9 n ALA 5236N -2.17 2.40 0.00 1.53 0.00 -1.10 -4.88 120.51 116.29 1mx9 n ALA 5236Ca -0.01 -0.88 0.00 0.00 0.00 0.00 0.00 53.44 52.55 1mx9 n ALA 5236Cb 0.25 -0.68 0.00 0.00 0.00 0.00 0.00 19.45 19.02 1mx9 n ALA 5236CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1mx9 n LYS 5237N 1.13 0.00 -1.02 0.00 4.76 -0.63 -1.25 118.16 121.14 1mx9 n LYS 5237Ca 0.14 0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.46 1mx9 n LYS 5237Cb 0.50 0.00 0.18 0.00 -1.84 0.00 0.00 35.03 33.87 1mx9 n LYS 5237CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1mx9 n ASN 5238N -0.68 3.24 0.02 4.39 3.02 -1.26 -4.60 115.26 119.40 1mx9 n ASN 5238Ca 0.00 -3.76 0.12 0.00 -0.03 0.00 0.00 54.58 50.91 1mx9 n ASN 5238Cb 0.00 -0.69 0.13 0.00 -0.61 0.00 0.00 39.78 38.61 1mx9 n ASN 5238CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1mx9 n LEU 5239N -1.09 0.62 -3.96 3.41 4.77 -0.38 -4.95 117.00 115.42 1mx9 n LEU 5239Ca 0.42 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 56.32 1mx9 n LEU 5239Cb 1.15 -0.16 -0.08 0.00 -2.33 0.00 0.00 43.42 42.00 1mx9 n LEU 5239CO 0.34 0.07 -0.20 0.72 -1.33 0.00 0.00 177.39 176.99 1mx9 s PHE 5240N -3.10 0.32 0.00 -1.77 -0.71 -1.26 -4.81 117.98 106.65 1mx9 s PHE 5240Ca 0.07 -0.79 0.00 0.00 -1.04 0.00 0.00 56.93 55.17 1mx9 s PHE 5240Cb 0.15 -0.20 0.00 0.00 -1.21 0.00 0.00 43.02 41.77 1mx9 s PHE 5240CO 0.75 -0.49 0.10 0.72 -1.34 0.00 0.00 175.22 174.96 1mx9 n HIS 5241N -0.01 0.00 -3.71 3.49 8.25 0.07 -4.94 115.22 118.38 1mx9 n HIS 5241Ca -0.14 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.18 1mx9 n HIS 5241Cb 0.62 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.65 1mx9 n HIS 5241CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1mx9 s ARG 5242N -0.56 0.74 0.01 -0.41 3.00 -1.08 -3.84 118.95 116.80 1mx9 s ARG 5242Ca 0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 55.73 55.63 1mx9 s ARG 5242Cb 0.00 0.33 -0.01 0.00 0.00 0.00 0.00 34.95 35.28 1mx9 s ARG 5242CO 0.00 -0.21 0.02 0.00 0.00 0.00 0.00 175.30 175.11 1mx9 s ALA 5243N -1.26 -0.03 -0.10 2.13 0.00 -1.09 -0.67 121.76 120.74 1mx9 s ALA 5243Ca -0.13 -0.28 -0.01 0.00 0.00 0.00 0.00 51.96 51.54 1mx9 s ALA 5243Cb -0.04 0.07 0.03 0.00 0.00 0.00 0.00 23.12 23.18 1mx9 s ALA 5243CO 0.05 -0.12 -0.00 0.42 0.00 0.00 0.00 175.76 176.11 1mx9 s ILE 5244N -0.94 0.49 -0.18 0.00 1.01 0.65 -2.01 121.20 120.23 1mx9 s ILE 5244Ca -0.10 -0.06 -0.05 0.00 0.00 0.00 0.00 60.65 60.44 1mx9 s ILE 5244Cb -0.06 -0.70 -0.03 0.00 0.01 0.00 0.00 42.46 41.68 1mx9 s ILE 5244CO -0.00 0.19 0.00 -0.44 0.00 0.00 0.00 174.94 174.69 1mx9 s SER 5245N 1.91 5.03 -0.41 3.58 0.01 -0.70 -1.87 113.70 121.25 1mx9 s SER 5245Ca 0.04 -0.10 0.03 0.00 1.31 0.00 0.00 55.95 57.24 1mx9 s SER 5245Cb -0.13 -1.84 0.11 0.00 0.21 0.00 0.00 66.02 64.37 1mx9 s SER 5245CO -0.06 0.14 0.14 -1.61 0.41 0.00 0.00 173.24 172.26 1mx9 s GLU 5246N 0.57 1.58 -0.38 12.44 2.02 -0.50 -2.36 118.70 132.07 1mx9 s GLU 5246Ca -0.01 -2.08 -0.02 0.00 0.02 0.00 0.00 54.97 52.89 1mx9 s GLU 5246Cb -0.14 -3.09 -0.02 0.00 0.10 0.00 0.00 34.13 30.99 1mx9 s GLU 5246CO 0.02 -1.02 0.32 0.43 0.02 0.00 0.00 175.26 175.04 1mx9 n SER 5247N 3.85 -3.20 0.00 -0.19 7.64 -0.86 -1.24 113.62 119.62 1mx9 n SER 5247Ca 0.04 -0.24 0.00 0.00 1.01 0.00 0.00 58.87 59.69 1mx9 n SER 5247Cb 0.38 -2.12 0.00 0.00 -1.01 0.00 0.00 64.21 61.46 1mx9 n SER 5247CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1mx9 n GLY 5248N -1.31 2.79 3.47 0.23 0.00 -1.26 -2.65 105.19 106.45 1mx9 n GLY 5248Ca -0.04 0.06 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 1mx9 n GLY 5248CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1mx9 s VAL 5249N 0.00 0.92 0.66 1.61 -7.23 -1.26 -2.08 120.40 113.01 1mx9 s VAL 5249Ca 0.00 -2.00 0.32 0.00 -1.81 0.00 0.00 61.98 58.49 1mx9 s VAL 5249Cb 0.00 -2.60 0.33 0.00 0.56 0.00 0.00 36.38 34.67 1mx9 s VAL 5249CO 0.00 0.00 1.99 0.00 -0.31 0.00 0.00 175.10 176.78 1mx9 h ALA 5250N 1.99 1.35 -0.16 1.32 0.00 -1.85 0.33 119.26 122.23 1mx9 h ALA 5250Ca -0.39 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1mx9 h ALA 5250Cb 1.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1mx9 h ALA 5250CO 0.64 -0.30 0.00 1.28 0.00 0.00 0.00 179.25 180.87 1mx9 n LEU 5251N -3.00 2.34 -4.00 0.00 4.77 -1.26 -4.67 117.00 111.18 1mx9 n LEU 5251Ca -0.01 -0.91 -0.39 0.00 -0.03 0.00 0.00 56.01 54.67 1mx9 n LEU 5251Cb 0.35 -0.10 -0.05 0.00 -2.33 0.00 0.00 43.42 41.29 1mx9 n LEU 5251CO 0.16 0.46 1.97 0.41 -1.33 0.00 0.00 177.39 179.05 1mx9 n THR 5252N 0.79 2.17 -0.28 -5.08 -1.04 0.11 -4.78 114.28 106.17 1mx9 n THR 5252Ca 0.17 -2.05 0.24 0.00 -2.04 0.00 0.00 64.05 60.37 1mx9 n THR 5252Cb 0.46 -2.30 0.41 0.00 -1.82 0.00 0.00 70.33 67.07 1mx9 n THR 5252CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1mx9 n SER 5253N 9.56 0.14 0.01 8.00 3.41 -1.26 -0.25 113.62 133.23 1mx9 n SER 5253Ca 0.48 0.86 0.02 0.00 -0.26 0.00 0.00 58.87 59.97 1mx9 n SER 5253Cb 0.43 -0.42 0.07 0.00 -0.26 0.00 0.00 64.21 64.02 1mx9 n SER 5253CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 1mx9 n VAL 5254N -3.94 1.81 0.09 -3.33 3.14 -1.26 -2.20 118.33 112.64 1mx9 n VAL 5254Ca 0.24 0.47 0.04 0.00 -2.96 0.00 0.00 64.34 62.13 1mx9 n VAL 5254Cb 0.94 -1.44 -0.05 0.00 -1.06 0.00 0.00 33.84 32.23 1mx9 n VAL 5254CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 1mx9 n LEU 5255N -1.54 0.10 -4.23 6.55 4.77 0.66 -4.85 117.00 118.46 1mx9 n LEU 5255Ca 0.00 -0.14 -0.36 0.00 -0.03 0.00 0.00 56.01 55.49 1mx9 n LEU 5255Cb 0.03 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 40.98 1mx9 n LEU 5255CO 0.02 0.02 -0.34 -0.69 -1.33 0.00 0.00 177.39 175.08 1mx9 s VAL 5256N -2.30 3.28 -0.27 4.08 1.01 -0.93 -0.54 120.40 124.72 1mx9 s VAL 5256Ca -0.01 -1.09 -0.29 0.00 0.00 0.00 0.00 61.98 60.59 1mx9 s VAL 5256Cb 0.05 -2.77 0.01 0.00 0.00 0.00 0.00 36.38 33.67 1mx9 s VAL 5256CO 0.31 0.01 1.10 -0.54 0.00 0.00 0.00 175.10 175.98 1mx9 s LYS 5257N 1.35 4.13 -0.24 2.72 -0.14 -0.29 -4.81 119.74 122.46 1mx9 s LYS 5257Ca -0.01 1.23 0.01 0.00 -1.36 0.00 0.00 55.97 55.84 1mx9 s LYS 5257Cb -0.18 -3.72 0.04 0.00 -1.68 0.00 0.00 37.83 32.29 1mx9 s LYS 5257CO -0.01 -0.81 -0.12 -1.59 -0.76 0.00 0.00 175.35 172.06 1mx9 s LYS 5258N 3.53 2.57 0.00 1.68 0.00 -1.26 -4.19 119.74 122.06 1mx9 s LYS 5258Ca 0.47 -1.13 0.00 0.00 0.00 0.00 0.00 55.97 55.30 1mx9 s LYS 5258Cb -0.14 -2.82 0.00 0.00 0.00 0.00 0.00 37.83 34.86 1mx9 s LYS 5258CO 0.13 -0.44 0.00 0.41 0.00 0.00 0.00 175.35 175.45 1mx9 n GLY 5259N 4.53 0.49 3.47 0.59 0.00 -1.26 -5.03 105.19 107.97 1mx9 n GLY 5259Ca -0.16 -1.22 -0.38 0.00 0.00 0.00 0.00 46.02 44.25 1mx9 n GLY 5259CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1mx9 s ASP 5260N -4.00 5.55 0.26 1.61 2.15 -1.26 -4.95 116.67 116.03 1mx9 s ASP 5260Ca 0.00 -0.39 0.23 0.00 0.43 0.00 0.00 52.55 52.82 1mx9 s ASP 5260Cb 0.00 -2.01 0.10 0.00 -0.30 0.00 0.00 42.92 40.72 1mx9 s ASP 5260CO 0.00 -0.15 1.20 -0.37 -0.17 0.00 0.00 175.17 175.69 1mx9 h VAL 5261N 5.59 0.00 -0.99 1.11 -1.51 -1.92 -3.39 116.25 115.14 1mx9 h VAL 5261Ca -0.34 -0.97 0.20 0.00 -1.23 0.00 0.00 66.70 64.36 1mx9 h VAL 5261Cb 1.16 1.60 -0.10 0.00 -2.13 0.00 0.00 31.29 31.82 1mx9 h VAL 5261CO 0.60 0.00 0.62 0.50 -1.23 0.00 0.00 177.57 178.06 1mx9 h LYS 5262N 0.00 0.66 -0.24 5.19 3.64 -1.81 -0.62 116.57 123.39 1mx9 h LYS 5262Ca 0.00 -0.04 0.07 0.00 -1.27 0.00 0.00 60.65 59.41 1mx9 h LYS 5262Cb 0.99 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.65 1mx9 h LYS 5262CO 0.00 0.43 0.18 -1.35 -2.27 0.00 0.00 179.45 176.45 1mx9 h PRO 5263N 0.68 0.00 0.11 1.90 0.11 -1.96 -2.02 132.00 130.81 1mx9 h PRO 5263Ca 0.57 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 66.52 1mx9 h PRO 5263Cb 1.00 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.13 1mx9 h PRO 5263CO -0.35 0.00 -0.68 1.25 -0.21 0.00 0.00 178.00 178.02 1mx9 h LEU 5264N 0.00 0.41 -1.37 2.35 5.85 -1.42 -2.95 115.31 118.19 1mx9 h LEU 5264Ca 0.11 -0.93 0.24 0.00 0.84 0.00 0.00 57.88 58.13 1mx9 h LEU 5264Cb 0.48 -0.13 -0.09 0.00 0.37 0.00 0.00 40.66 41.29 1mx9 h LEU 5264CO -0.00 1.31 0.64 0.00 -0.34 0.00 0.00 178.44 180.05 1mx9 h ALA 5265N 0.10 2.15 0.02 1.25 0.00 -1.09 0.86 119.26 122.56 1mx9 h ALA 5265Ca -0.11 0.05 -0.22 0.00 0.00 0.00 0.00 54.91 54.62 1mx9 h ALA 5265Cb 1.51 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.29 1mx9 h ALA 5265CO 0.13 -0.51 -0.96 0.93 0.00 0.00 0.00 179.25 178.83 1mx9 h GLU 5266N 0.45 0.26 -0.42 0.00 5.08 -1.50 -0.19 114.58 118.26 1mx9 h GLU 5266Ca 0.55 -0.32 -0.04 0.00 -1.00 0.00 0.00 59.36 58.56 1mx9 h GLU 5266Cb 1.32 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.65 1mx9 h GLU 5266CO -0.27 1.05 0.09 1.96 -1.00 0.00 0.00 179.01 180.84 1mx9 h GLN 5267N 0.13 0.64 0.11 2.33 4.20 -0.69 0.28 115.11 122.11 1mx9 h GLN 5267Ca -0.07 -0.12 -0.01 0.00 0.06 0.00 0.00 58.65 58.52 1mx9 h GLN 5267Cb 1.62 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 29.30 1mx9 h GLN 5267CO 0.15 0.59 -0.05 0.82 -0.67 0.00 0.00 178.83 179.67 1mx9 h ILE 5268N 0.62 0.89 -0.06 2.54 2.04 -1.19 -1.74 117.51 120.60 1mx9 h ILE 5268Ca 0.14 -1.31 0.04 0.00 1.00 0.00 0.00 64.86 64.73 1mx9 h ILE 5268Cb 0.26 1.56 -0.06 0.00 -0.74 0.00 0.00 36.82 37.83 1mx9 h ILE 5268CO -0.00 0.25 -0.36 0.00 0.00 0.00 0.00 178.15 178.04 1mx9 h ALA 5269N -0.35 -0.51 -0.41 1.87 0.00 -0.86 0.49 119.26 119.49 1mx9 h ALA 5269Ca -0.02 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.94 1mx9 h ALA 5269Cb 0.53 0.66 -0.05 0.00 0.00 0.00 0.00 17.79 18.94 1mx9 h ALA 5269CO 0.03 -0.87 0.13 0.82 0.00 0.00 0.00 179.25 179.35 1mx9 h ILE 5270N -0.48 0.85 -0.46 0.00 2.04 -0.57 0.13 117.51 119.02 1mx9 h ILE 5270Ca 0.07 -0.10 0.04 0.00 1.00 0.00 0.00 64.86 65.88 1mx9 h ILE 5270Cb 0.59 0.55 -0.04 0.00 -0.74 0.00 0.00 36.82 37.18 1mx9 h ILE 5270CO -0.33 0.05 0.22 0.74 0.00 0.00 0.00 178.15 178.84 1mx9 h THR 5271N 0.28 0.95 0.00 -0.27 2.02 -0.45 -1.59 112.91 113.85 1mx9 h THR 5271Ca 0.19 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 67.22 1mx9 h THR 5271Cb 0.19 0.47 0.00 0.00 -1.74 0.00 0.00 68.15 67.07 1mx9 h THR 5271CO -0.21 0.08 0.00 0.00 0.37 0.00 0.00 175.52 175.76 1mx9 n ALA 5272N -2.32 2.19 -2.00 6.16 0.00 0.16 -4.87 120.51 119.83 1mx9 n ALA 5272Ca 0.03 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1mx9 n ALA 5272Cb 0.13 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.25 1mx9 n ALA 5272CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mx9 n GLY 5273N 0.29 0.82 3.49 0.00 0.00 -0.58 -5.04 105.19 104.17 1mx9 n GLY 5273Ca 0.13 -0.53 -0.24 0.00 0.00 0.00 0.00 46.02 45.38 1mx9 n GLY 5273CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mx9 s LYS 5275N -3.58 3.89 -0.38 0.00 1.02 -1.26 -4.06 119.74 115.37 1mx9 s LYS 5275Ca 0.31 0.38 0.06 0.00 0.02 0.00 0.00 55.97 56.74 1mx9 s LYS 5275Cb -0.01 -2.80 0.57 0.00 -0.52 0.00 0.00 37.83 35.08 1mx9 s LYS 5275CO 0.15 0.41 1.68 0.25 -0.92 0.00 0.00 175.35 176.91 1mx9 n THR 5276N 0.37 2.89 0.14 2.17 -2.24 -1.26 -4.20 114.28 112.14 1mx9 n THR 5276Ca -0.03 -2.45 -0.13 0.00 -2.27 0.00 0.00 64.05 59.17 1mx9 n THR 5276Cb 0.52 -0.44 -0.06 0.00 -2.10 0.00 0.00 70.33 68.25 1mx9 n THR 5276CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1mx9 h THR 5277N 1.03 0.41 -4.39 4.28 2.02 -1.95 -3.45 112.91 110.86 1mx9 h THR 5277Ca 0.42 0.00 -0.17 0.00 0.77 0.00 0.00 66.41 67.43 1mx9 h THR 5277Cb 2.15 0.41 -0.15 0.00 -1.74 0.00 0.00 68.15 68.82 1mx9 h THR 5277CO 0.76 0.00 -0.64 0.42 0.37 0.00 0.00 175.52 176.43 1mx9 s THR 5278N -6.05 0.12 0.21 3.16 -4.23 -1.26 -5.03 115.64 102.55 1mx9 s THR 5278Ca -0.16 -1.88 -0.09 0.00 -1.18 0.00 0.00 61.69 58.38 1mx9 s THR 5278Cb 0.07 -1.97 0.15 0.00 1.34 0.00 0.00 72.50 72.09 1mx9 s THR 5278CO 0.65 -0.52 1.80 0.28 -0.54 0.00 0.00 174.62 176.28 1mx9 h SER 5279N 2.89 1.03 0.13 3.99 0.02 -1.96 -1.93 113.55 117.72 1mx9 h SER 5279Ca -0.35 -0.14 -0.06 0.00 -0.84 0.00 0.00 61.79 60.40 1mx9 h SER 5279Cb 1.19 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 63.46 1mx9 h SER 5279CO 0.60 0.88 -0.21 0.00 -1.14 0.00 0.00 176.83 176.96 1mx9 h ALA 5280N 1.19 1.46 -0.14 3.77 0.00 -1.97 -2.79 119.26 120.79 1mx9 h ALA 5280Ca 0.27 -0.25 -0.17 0.00 0.00 0.00 0.00 54.91 54.77 1mx9 h ALA 5280Cb 0.13 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1mx9 h ALA 5280CO -0.03 0.38 -0.61 0.28 0.00 0.00 0.00 179.25 179.27 1mx9 h VAL 5281N 0.15 1.34 0.18 0.00 2.07 -1.74 -2.18 116.25 116.08 1mx9 h VAL 5281Ca 0.03 -1.91 -0.01 0.00 0.82 0.00 0.00 66.70 65.63 1mx9 h VAL 5281Cb 0.47 1.90 0.00 0.00 -1.52 0.00 0.00 31.29 32.14 1mx9 h VAL 5281CO 0.03 0.58 -0.08 0.24 0.02 0.00 0.00 177.57 178.36 1mx9 h MET 5282N 0.35 -0.23 -0.38 1.57 0.00 -1.23 -2.49 114.93 112.52 1mx9 h MET 5282Ca -0.01 0.02 0.07 0.00 0.00 0.00 0.00 59.70 59.78 1mx9 h MET 5282Cb 1.15 0.05 -0.07 0.00 0.00 0.00 0.00 31.60 32.74 1mx9 h MET 5282CO 0.11 0.14 -0.03 0.28 0.00 0.00 0.00 176.91 177.41 1mx9 h VAL 5283N -0.65 0.68 -0.47 -2.22 2.07 -1.56 -0.96 116.25 113.14 1mx9 h VAL 5283Ca -0.02 -0.02 0.07 0.00 0.82 0.00 0.00 66.70 67.54 1mx9 h VAL 5283Cb 0.47 0.61 -0.06 0.00 -1.52 0.00 0.00 31.29 30.80 1mx9 h VAL 5283CO 0.04 0.01 0.15 -0.74 0.02 0.00 0.00 177.57 177.05 1mx9 h HIS 5284N 0.06 0.26 -0.58 1.57 -0.00 -1.41 -0.54 115.15 114.52 1mx9 h HIS 5284Ca 0.19 0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 60.58 1mx9 h HIS 5284Cb 0.27 -0.05 -0.03 0.00 -0.00 0.00 0.00 27.41 27.61 1mx9 h HIS 5284CO -0.29 0.08 0.36 0.00 -0.00 0.00 0.00 177.93 178.08 1mx9 h LEU 5286N 0.78 0.74 -1.08 0.00 3.38 -0.77 -1.72 115.31 116.64 1mx9 h LEU 5286Ca 0.21 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1mx9 h LEU 5286Cb -0.04 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.52 1mx9 h LEU 5286CO -0.04 0.78 0.00 0.54 0.09 0.00 0.00 178.44 179.81 1mx9 n ARG 5287N -4.47 0.11 0.01 1.13 1.74 -0.25 0.14 116.66 115.07 1mx9 n ARG 5287Ca 0.01 0.60 0.11 0.00 -0.77 0.00 0.00 57.85 57.80 1mx9 n ARG 5287Cb 0.22 -1.85 -0.06 0.00 -1.02 0.00 0.00 32.46 29.75 1mx9 n ARG 5287CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1mx9 n GLN 5288N -2.08 0.32 -1.63 5.56 6.02 -0.68 -4.85 117.38 120.03 1mx9 n GLN 5288Ca -0.01 -0.05 -0.32 0.00 -0.01 0.00 0.00 57.00 56.61 1mx9 n GLN 5288Cb 0.03 -1.56 0.06 0.00 1.02 0.00 0.00 30.24 29.79 1mx9 n GLN 5288CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1mx9 s LYS 5289N -3.24 2.69 0.47 -1.09 -0.14 0.12 -5.04 119.74 113.52 1mx9 s LYS 5289Ca 0.02 1.30 -0.00 0.00 -1.36 0.00 0.00 55.97 55.92 1mx9 s LYS 5289Cb 0.15 -1.94 0.00 0.00 -1.68 0.00 0.00 37.83 34.35 1mx9 s LYS 5289CO 0.84 -1.32 0.70 0.95 -0.76 0.00 0.00 175.35 175.77 1mx9 s THR 5290N -2.54 3.80 0.14 2.17 -4.23 -1.26 -4.91 115.64 108.82 1mx9 s THR 5290Ca 0.65 -0.48 -0.25 0.00 -1.18 0.00 0.00 61.69 60.43 1mx9 s THR 5290Cb -0.19 -3.42 -0.01 0.00 1.34 0.00 0.00 72.50 70.22 1mx9 s THR 5290CO 0.46 -0.30 1.62 -0.08 -0.54 0.00 0.00 174.62 175.77 1mx9 h GLU 5291N 0.31 -0.34 -0.96 3.99 4.81 -1.97 0.03 114.58 120.46 1mx9 h GLU 5291Ca -0.46 0.02 0.11 0.00 -0.13 0.00 0.00 59.36 58.90 1mx9 h GLU 5291Cb 1.26 0.08 -0.07 0.00 0.63 0.00 0.00 28.75 30.64 1mx9 h GLU 5291CO 0.57 -0.23 0.61 1.49 -0.73 0.00 0.00 179.01 180.73 1mx9 h GLU 5292N -0.35 0.94 -0.39 1.92 4.22 -1.98 -0.06 114.58 118.87 1mx9 h GLU 5292Ca 0.10 -0.06 -0.09 0.00 0.08 0.00 0.00 59.36 59.40 1mx9 h GLU 5292Cb 0.51 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 1mx9 h GLU 5292CO -0.34 0.62 -0.12 0.93 -2.18 0.00 0.00 179.01 177.92 1mx9 h GLU 5293N 0.97 0.69 0.00 1.92 5.08 -1.51 -0.11 114.58 121.61 1mx9 h GLU 5293Ca 0.46 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1mx9 h GLU 5293Cb 0.43 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1mx9 h GLU 5293CO -0.22 0.79 0.00 1.28 -1.00 0.00 0.00 179.01 179.86 1mx9 n LEU 5294N -4.17 0.38 -0.00 1.33 4.77 -0.15 -2.71 117.00 116.45 1mx9 n LEU 5294Ca 0.01 0.54 -0.21 0.00 -0.03 0.00 0.00 56.01 56.32 1mx9 n LEU 5294Cb 0.36 -0.42 -0.14 0.00 -2.33 0.00 0.00 43.42 40.89 1mx9 n LEU 5294CO 0.42 -0.11 -0.35 0.25 -1.33 0.00 0.00 177.39 176.26 1mx9 h LEU 5295N 0.00 0.34 -1.84 2.23 5.85 -0.14 -2.70 115.31 119.06 1mx9 h LEU 5295Ca 0.00 -0.84 0.03 0.00 0.84 0.00 0.00 57.88 57.91 1mx9 h LEU 5295Cb 0.59 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 1mx9 h LEU 5295CO 0.00 1.56 0.17 -0.33 -0.34 0.00 0.00 178.44 179.50 1mx9 h GLU 5296N -0.40 0.21 0.09 1.25 5.08 -1.06 0.27 114.58 120.03 1mx9 h GLU 5296Ca -0.28 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.06 1mx9 h GLU 5296Cb 1.68 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.88 1mx9 h GLU 5296CO 0.04 0.14 -0.04 1.15 -1.00 0.00 0.00 179.01 179.30 1mx9 h THR 5297N 0.22 1.12 -0.86 1.13 2.02 -1.59 -0.68 112.91 114.27 1mx9 h THR 5297Ca 0.10 -0.88 0.11 0.00 0.77 0.00 0.00 66.41 66.51 1mx9 h THR 5297Cb 0.14 1.68 -0.06 0.00 -1.74 0.00 0.00 68.15 68.17 1mx9 h THR 5297CO -0.02 0.21 0.56 0.74 0.37 0.00 0.00 175.52 177.38 1mx9 h THR 5298N -0.54 0.92 0.00 3.16 2.02 -0.84 0.12 112.91 117.75 1mx9 h THR 5298Ca -0.01 -0.27 -0.04 0.00 0.77 0.00 0.00 66.41 66.86 1mx9 h THR 5298Cb 0.44 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.92 1mx9 h THR 5298CO 0.02 0.14 -0.19 0.25 0.37 0.00 0.00 175.52 176.11 1mx9 h LEU 5299N 0.78 0.00 0.00 2.58 6.46 -0.32 -3.12 115.31 121.70 1mx9 h LEU 5299Ca 0.41 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 58.17 1mx9 h LEU 5299Cb 0.52 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.45 1mx9 h LEU 5299CO -0.18 0.19 -1.06 0.29 -0.62 0.00 0.00 178.44 177.07 1mx9 n LYS 5300N -3.29 0.35 0.11 1.25 5.02 0.29 -3.83 118.16 118.07 1mx9 n LYS 5300Ca 0.01 0.01 0.03 0.00 -2.02 0.00 0.00 58.31 56.33 1mx9 n LYS 5300Cb 0.45 -1.62 -0.00 0.00 -0.02 0.00 0.00 35.03 33.83 1mx9 n LYS 5300CO 0.00 0.00 0.00 0.52 -0.52 0.00 0.00 177.40 177.40 1mx9 h MET 5301N 0.00 0.00 -5.75 1.97 2.86 -1.19 -3.48 114.93 109.33 1mx9 h MET 5301Ca 0.00 0.00 -0.33 0.00 -2.06 0.00 0.00 59.70 57.31 1mx9 h MET 5301Cb 0.78 0.00 0.15 0.00 0.06 0.00 0.00 31.60 32.59 1mx9 h MET 5301CO 0.00 0.37 -0.86 1.63 1.06 0.00 0.00 176.91 179.12 1mx9 n LYS 5302N -3.08 -3.13 -0.95 1.72 5.02 -1.18 -4.99 118.16 111.56 1mx9 n LYS 5302Ca -0.02 0.74 -0.30 0.00 -2.02 0.00 0.00 58.31 56.71 1mx9 n LYS 5302Cb 0.74 -5.36 0.23 0.00 -0.02 0.00 0.00 35.03 30.63 1mx9 n LYS 5302CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1mx9 s PHE 5303N -3.45 0.76 0.00 2.13 0.40 -1.26 -3.63 117.98 112.93 1mx9 s PHE 5303Ca 0.32 0.67 0.00 0.00 -0.60 0.00 0.00 56.93 57.31 1mx9 s PHE 5303Cb -0.06 -3.30 0.00 0.00 0.51 0.00 0.00 43.02 40.16 1mx9 s PHE 5303CO 0.78 -3.84 0.00 1.28 0.70 0.00 0.00 175.22 174.14 1mx9 n LEU 5304N -4.78 0.91 -4.43 -0.37 4.77 0.26 -4.94 117.00 108.41 1mx9 n LEU 5304Ca 0.10 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.80 1mx9 n LEU 5304Cb 0.59 -1.79 -0.12 0.00 -2.33 0.00 0.00 43.42 39.77 1mx9 n LEU 5304CO 0.49 -0.66 -0.53 -0.44 -1.33 0.00 0.00 177.39 174.92 1mx9 s SER 5305N -2.05 3.54 -0.34 -1.43 0.01 -1.24 -4.12 113.70 108.07 1mx9 s SER 5305Ca 0.00 -0.72 -0.25 0.00 1.31 0.00 0.00 55.95 56.30 1mx9 s SER 5305Cb 0.00 -0.34 0.01 0.00 0.21 0.00 0.00 66.02 65.90 1mx9 s SER 5305CO 0.00 0.16 0.86 -0.22 0.41 0.00 0.00 173.24 174.45 1mx9 s LEU 5306N -2.25 4.06 -0.78 2.44 2.96 -0.89 -4.82 118.68 119.39 1mx9 s LEU 5306Ca 0.17 0.58 -0.25 0.00 -0.22 0.00 0.00 54.13 54.41 1mx9 s LEU 5306Cb -0.10 -3.16 -0.01 0.00 0.50 0.00 0.00 46.19 43.42 1mx9 s LEU 5306CO 0.08 -0.75 1.76 -0.62 -1.32 0.00 0.00 176.35 175.51 1mx9 s ASP 5307N 1.77 5.49 0.00 3.68 3.68 -1.26 -4.81 116.67 125.22 1mx9 s ASP 5307Ca 0.35 -0.34 0.13 0.00 2.13 0.00 0.00 52.55 54.82 1mx9 s ASP 5307Cb -0.13 -2.55 0.67 0.00 -1.45 0.00 0.00 42.92 39.46 1mx9 s ASP 5307CO 0.16 -2.33 1.35 0.18 0.13 0.00 0.00 175.17 174.66 1mx9 n LEU 5308N 12.26 0.00 -4.29 -1.34 4.77 -1.26 -4.71 117.00 122.43 1mx9 n LEU 5308Ca 0.26 0.29 -0.28 0.00 -0.03 0.00 0.00 56.01 56.25 1mx9 n LEU 5308Cb 0.50 -0.29 -0.15 0.00 -2.33 0.00 0.00 43.42 41.15 1mx9 n LEU 5308CO 0.67 -0.16 -0.55 -1.58 -1.33 0.00 0.00 177.39 174.44 1mx9 s GLN 5309N -2.58 1.65 0.59 3.23 -0.44 -1.26 -5.08 119.66 115.77 1mx9 s GLN 5309Ca 0.12 -0.98 0.00 0.00 -2.50 0.00 0.00 55.36 52.00 1mx9 s GLN 5309Cb 0.09 -1.75 0.00 0.00 -1.64 0.00 0.00 33.01 29.71 1mx9 s GLN 5309CO 0.20 0.46 0.00 0.41 0.50 0.00 0.00 175.29 176.86 1mx9 n GLY 5310N 1.97 -1.81 3.67 2.59 0.00 -1.26 -4.84 105.19 105.50 1mx9 n GLY 5310Ca -0.17 -1.77 -0.41 0.00 0.00 0.00 0.00 46.02 43.67 1mx9 n GLY 5310CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1mx9 s ASP 5311N -4.00 6.95 0.33 1.61 -1.08 -1.26 -4.94 116.67 114.29 1mx9 s ASP 5311Ca 0.00 1.18 0.01 0.00 -0.52 0.00 0.00 52.55 53.22 1mx9 s ASP 5311Cb 0.00 -2.46 0.57 0.00 -1.46 0.00 0.00 42.92 39.57 1mx9 s ASP 5311CO 0.00 -0.42 1.96 -0.65 0.52 0.00 0.00 175.17 176.57 1mx9 h PRO 5312N 7.37 0.83 -0.23 4.34 0.11 -1.88 -2.60 132.00 139.93 1mx9 h PRO 5312Ca -0.28 -0.08 0.04 0.00 0.11 0.00 0.00 66.00 65.78 1mx9 h PRO 5312Cb 1.12 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.06 1mx9 h PRO 5312CO 0.85 0.61 0.16 0.00 -0.21 0.00 0.00 178.00 179.40 1mx9 h ARG 5313N 0.83 0.13 -1.21 1.05 3.08 -1.92 -2.72 114.38 113.63 1mx9 h ARG 5313Ca 0.21 -0.01 -0.65 0.00 0.07 0.00 0.00 59.98 59.61 1mx9 h ARG 5313Cb 0.02 -0.03 -0.34 0.00 0.08 0.00 0.00 29.97 29.70 1mx9 h ARG 5313CO -0.04 0.09 0.21 -0.85 -1.07 0.00 0.00 179.97 178.31 1mx9 n GLU 5314N -4.49 3.07 -3.99 0.04 0.28 -0.98 -4.93 120.64 109.63 1mx9 n GLU 5314Ca 0.02 -3.76 -0.30 0.00 -0.16 0.00 0.00 57.16 52.96 1mx9 n GLU 5314Cb 0.21 -2.28 -0.16 0.00 1.43 0.00 0.00 31.44 30.64 1mx9 n GLU 5314CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 1mx9 s SER 5315N -2.42 2.68 -0.35 -1.84 1.04 -1.03 -4.92 113.70 106.86 1mx9 s SER 5315Ca 0.56 -0.50 -0.11 0.00 0.48 0.00 0.00 55.95 56.37 1mx9 s SER 5315Cb 0.45 -1.12 0.01 0.00 0.10 0.00 0.00 66.02 65.46 1mx9 s SER 5315CO -0.11 -0.08 0.20 -1.10 0.98 0.00 0.00 173.24 173.14 1mx9 s GLN 5316N 1.52 3.09 0.00 4.02 -1.52 -1.26 -4.75 119.66 120.76 1mx9 s GLN 5316Ca 0.04 -0.90 0.26 0.00 -1.95 0.00 0.00 55.36 52.81 1mx9 s GLN 5316Cb -0.13 -3.72 0.61 0.00 -0.22 0.00 0.00 33.01 29.56 1mx9 s GLN 5316CO -0.10 -0.58 1.48 -0.35 -0.25 0.00 0.00 175.29 175.49 1mx9 n PRO 5317N 5.03 1.16 -3.75 2.91 -0.04 -1.26 -4.78 135.00 134.27 1mx9 n PRO 5317Ca -0.12 -0.77 -0.13 0.00 -0.04 0.00 0.00 63.50 62.43 1mx9 n PRO 5317Cb 0.48 -1.48 -0.03 0.00 -0.04 0.00 0.00 33.50 32.43 1mx9 n PRO 5317CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1mx9 n LEU 5318N -0.25 0.00 -3.34 1.53 4.77 -1.26 -0.58 117.00 117.88 1mx9 n LEU 5318Ca 0.13 -2.58 -0.26 0.00 -0.03 0.00 0.00 56.01 53.26 1mx9 n LEU 5318Cb 0.39 2.38 -0.09 0.00 -2.33 0.00 0.00 43.42 43.77 1mx9 n LEU 5318CO 0.24 -0.61 -0.31 0.18 -1.33 0.00 0.00 177.39 175.56 1mx9 n LEU 5319N 0.00 -0.41 0.00 2.23 4.77 -1.26 -5.09 117.00 117.24 1mx9 n LEU 5319Ca 0.00 -4.41 0.00 0.00 -0.03 0.00 0.00 56.01 51.57 1mx9 n LEU 5319Cb 0.53 0.57 0.00 0.00 -2.33 0.00 0.00 43.42 42.20 1mx9 n LEU 5319CO 0.26 1.90 0.00 0.61 -1.33 0.00 0.00 177.39 178.84 1mx9 n GLY 5320N 2.55 0.97 3.67 -0.72 0.00 -1.26 -4.59 105.19 105.81 1mx9 n GLY 5320Ca 0.28 -1.83 -0.31 0.00 0.00 0.00 0.00 46.02 44.16 1mx9 n GLY 5320CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mx9 s THR 5321N 1.31 2.10 0.16 2.61 2.01 0.30 -4.74 115.64 119.38 1mx9 s THR 5321Ca 0.00 0.03 -0.10 0.00 0.31 0.00 0.00 61.69 61.94 1mx9 s THR 5321Cb 0.00 -2.07 -0.00 0.00 0.01 0.00 0.00 72.50 70.44 1mx9 s THR 5321CO 0.00 -0.04 0.29 0.68 -0.69 0.00 0.00 174.62 174.86 1mx9 s VAL 5322N -2.65 0.07 -1.30 3.82 -7.23 -1.26 -1.14 120.40 110.71 1mx9 s VAL 5322Ca 0.67 -1.32 -0.12 0.00 -1.81 0.00 0.00 61.98 59.40 1mx9 s VAL 5322Cb -0.23 -1.77 0.14 0.00 0.56 0.00 0.00 36.38 35.08 1mx9 s VAL 5322CO 0.58 -0.32 1.82 -0.38 -0.31 0.00 0.00 175.10 176.49 1mx9 n ILE 5323N -0.21 4.15 0.24 -0.62 2.08 -1.26 -4.72 119.36 119.01 1mx9 n ILE 5323Ca -0.08 -4.22 0.07 0.00 0.56 0.00 0.00 62.75 59.07 1mx9 n ILE 5323Cb 0.63 -2.42 0.57 0.00 -0.75 0.00 0.00 39.64 37.67 1mx9 n ILE 5323CO 0.00 0.00 0.00 -2.24 0.56 0.00 0.00 176.55 174.87 1mx9 h ASP 5324N 6.27 0.00 0.00 4.38 3.04 -1.84 -3.47 116.42 124.80 1mx9 h ASP 5324Ca 0.41 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.20 1mx9 h ASP 5324Cb 0.71 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.00 1mx9 h ASP 5324CO 1.57 0.09 0.00 0.61 -2.04 0.00 0.00 179.24 179.47 1mx9 n GLY 5325N -1.26 0.13 0.51 7.15 0.00 -0.89 -4.89 105.19 105.93 1mx9 n GLY 5325Ca -0.03 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.92 1mx9 n GLY 5325CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1mx9 n MET 5326N -1.91 0.31 0.08 1.61 2.81 -1.26 -4.79 117.12 113.97 1mx9 n MET 5326Ca 0.00 0.13 -0.04 0.00 -1.81 0.00 0.00 57.70 55.97 1mx9 n MET 5326Cb 0.00 -1.04 -0.02 0.00 -0.71 0.00 0.00 33.22 31.45 1mx9 n MET 5326CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 1mx9 h LEU 5327N -0.57 -0.25 -9.31 4.03 5.85 -1.94 -3.44 115.31 109.69 1mx9 h LEU 5327Ca -0.09 0.01 -0.67 0.00 0.84 0.00 0.00 57.88 57.97 1mx9 h LEU 5327Cb 0.74 0.06 -0.14 0.00 0.37 0.00 0.00 40.66 41.69 1mx9 h LEU 5327CO -0.05 0.17 -0.60 -0.76 -0.34 0.00 0.00 178.44 176.86 1mx9 s LEU 5328N -8.40 3.71 -0.24 2.25 1.43 -1.26 -4.16 118.68 112.02 1mx9 s LEU 5328Ca -0.04 0.18 -0.11 0.00 -1.03 0.00 0.00 54.13 53.13 1mx9 s LEU 5328Cb 0.00 -1.87 -0.17 0.00 0.03 0.00 0.00 46.19 44.19 1mx9 s LEU 5328CO 0.13 0.36 -0.10 0.18 0.23 0.00 0.00 176.35 177.15 1mx9 n LEU 5329N 2.25 2.28 -4.73 1.79 4.77 -1.26 -2.09 117.00 120.01 1mx9 n LEU 5329Ca -0.19 0.22 -0.27 0.00 -0.03 0.00 0.00 56.01 55.75 1mx9 n LEU 5329Cb 0.54 -0.92 -0.08 0.00 -2.33 0.00 0.00 43.42 40.63 1mx9 n LEU 5329CO 0.29 0.64 -0.18 -0.54 -1.33 0.00 0.00 177.39 176.27 1mx9 s LYS 5330N -2.49 2.16 0.78 3.23 3.01 -1.26 -4.79 119.74 120.38 1mx9 s LYS 5330Ca -0.33 -2.02 -0.11 0.00 -1.01 0.00 0.00 55.97 52.50 1mx9 s LYS 5330Cb 0.10 -1.83 0.06 0.00 -1.01 0.00 0.00 37.83 35.15 1mx9 s LYS 5330CO 0.58 -0.19 1.10 0.95 0.51 0.00 0.00 175.35 178.30 1mx9 s THR 5331N -2.69 3.15 0.16 2.17 -4.23 -1.26 -4.67 115.64 108.27 1mx9 s THR 5331Ca 0.33 0.39 -0.21 0.00 -1.18 0.00 0.00 61.69 61.02 1mx9 s THR 5331Cb 0.04 -2.82 0.05 0.00 1.34 0.00 0.00 72.50 71.12 1mx9 s THR 5331CO 0.18 -0.48 1.64 -0.65 -0.54 0.00 0.00 174.62 174.77 1mx9 h PRO 5332N -1.15 -0.18 -0.99 3.99 0.11 -1.98 0.12 132.00 131.93 1mx9 h PRO 5332Ca -0.44 0.01 0.33 0.00 0.11 0.00 0.00 66.00 66.02 1mx9 h PRO 5332Cb 1.24 0.04 -0.16 0.00 0.11 0.00 0.00 31.00 32.23 1mx9 h PRO 5332CO 0.50 -0.12 0.50 0.93 -0.21 0.00 0.00 178.00 179.60 1mx9 h GLU 5333N -0.19 0.22 0.00 1.05 3.07 -1.91 0.24 114.58 117.06 1mx9 h GLU 5333Ca 0.16 -0.01 -0.24 0.00 -0.50 0.00 0.00 59.36 58.76 1mx9 h GLU 5333Cb 0.43 -0.05 -0.04 0.00 -0.84 0.00 0.00 28.75 28.25 1mx9 h GLU 5333CO -0.41 0.14 -1.39 0.93 -1.40 0.00 0.00 179.01 176.88 1mx9 h GLU 5334N 0.22 0.00 0.00 2.33 5.08 -1.69 -3.27 114.58 117.25 1mx9 h GLU 5334Ca 0.73 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.09 1mx9 h GLU 5334Cb 1.72 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.97 1mx9 h GLU 5334CO -0.66 0.63 0.00 -0.07 -1.00 0.00 0.00 179.01 177.91 1mx9 h LEU 5335N 0.00 0.00 -5.45 1.33 3.38 0.20 -3.26 115.31 111.51 1mx9 h LEU 5335Ca -0.17 0.00 -0.71 0.00 0.09 0.00 0.00 57.88 57.09 1mx9 h LEU 5335Cb 1.86 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 42.42 1mx9 h LEU 5335CO 0.09 0.00 1.42 0.00 0.09 0.00 0.00 178.44 180.04 1mx9 n GLN 5336N -2.49 4.06 0.04 1.13 6.02 -0.10 -4.20 117.38 121.84 1mx9 n GLN 5336Ca 0.02 -3.52 0.00 0.00 -0.01 0.00 0.00 57.00 53.49 1mx9 n GLN 5336Cb 0.28 -2.43 0.00 0.00 1.02 0.00 0.00 30.24 29.12 1mx9 n GLN 5336CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1mx9 n ALA 5337N 0.76 2.90 -1.51 -1.58 0.00 -1.23 -4.99 120.51 114.86 1mx9 n ALA 5337Ca 0.54 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.76 1mx9 n ALA 5337Cb 0.32 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.66 1mx9 n ALA 5337CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1mx9 n GLU 5338N -2.78 0.43 -2.74 0.00 0.28 -1.26 -4.86 120.64 109.71 1mx9 n GLU 5338Ca 0.00 -1.77 -0.43 0.00 -0.16 0.00 0.00 57.16 54.81 1mx9 n GLU 5338Cb 0.00 -3.67 -0.02 0.00 1.43 0.00 0.00 31.44 29.18 1mx9 n GLU 5338CO 0.00 0.00 0.00 -0.98 -0.16 0.00 0.00 177.13 175.99 1mx9 s ARG 5339N 7.80 3.69 0.00 3.44 1.70 -1.26 -3.99 118.95 130.34 1mx9 s ARG 5339Ca 0.77 -1.62 0.00 0.00 -0.47 0.00 0.00 55.73 54.41 1mx9 s ARG 5339Cb -0.01 -5.18 0.00 0.00 -0.57 0.00 0.00 34.95 29.19 1mx9 s ARG 5339CO 0.20 -2.00 0.00 -1.71 -1.08 0.00 0.00 175.30 170.71 1mx9 n ASN 5340N 7.60 0.00 -1.73 -2.89 2.85 -1.26 -5.01 115.26 114.82 1mx9 n ASN 5340Ca 0.32 -0.35 0.00 0.00 -0.11 0.00 0.00 54.58 54.44 1mx9 n ASN 5340Cb 0.49 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.51 1mx9 n ASN 5340CO 0.00 0.00 0.00 2.22 -2.11 0.00 0.00 177.26 177.37 1mx9 n PHE 5341N 0.00 -2.61 -2.74 1.20 -0.00 -1.26 -5.06 117.46 107.00 1mx9 n PHE 5341Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 57.45 57.03 1mx9 n PHE 5341Cb 0.16 0.00 -0.03 0.00 -0.00 0.00 0.00 39.48 39.61 1mx9 n PHE 5341CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.76 175.18 1mx9 s HIS 5342N 0.96 3.59 0.23 2.97 5.65 -1.26 -5.04 115.29 122.39 1mx9 s HIS 5342Ca 0.00 1.60 0.02 0.00 0.25 0.00 0.00 55.06 56.94 1mx9 s HIS 5342Cb 0.00 -3.11 -0.05 0.00 -1.18 0.00 0.00 32.58 28.24 1mx9 s HIS 5342CO 0.00 -0.09 0.03 0.95 -0.65 0.00 0.00 174.74 174.98 1mx9 s THR 5343N 1.40 0.82 0.26 0.89 -4.23 -1.26 -5.08 115.64 108.43 1mx9 s THR 5343Ca 0.49 -2.01 0.01 0.00 -1.18 0.00 0.00 61.69 59.00 1mx9 s THR 5343Cb -0.20 -2.39 -0.03 0.00 1.34 0.00 0.00 72.50 71.22 1mx9 s THR 5343CO 0.23 -0.26 0.23 0.68 -0.54 0.00 0.00 174.62 174.96 1mx9 s VAL 5344N -3.56 0.00 -0.07 2.29 -7.23 -1.26 -5.09 120.40 105.47 1mx9 s VAL 5344Ca 0.30 -1.92 -0.30 0.00 -1.81 0.00 0.00 61.98 58.25 1mx9 s VAL 5344Cb 0.07 -2.49 -0.04 0.00 0.56 0.00 0.00 36.38 34.48 1mx9 s VAL 5344CO 0.09 0.00 1.39 -2.84 -0.31 0.00 0.00 175.10 173.43 1mx9 s PRO 5345N -3.83 4.25 -0.20 4.82 0.02 -1.25 -4.54 135.00 134.27 1mx9 s PRO 5345Ca 0.38 1.88 -0.00 0.00 0.02 0.00 0.00 61.00 63.28 1mx9 s PRO 5345Cb 0.04 -3.73 0.02 0.00 0.02 0.00 0.00 34.50 30.85 1mx9 s PRO 5345CO 0.18 -0.67 -0.14 -0.47 -0.33 0.00 0.00 177.00 175.57 1mx9 s TYR 5346N 3.13 2.89 -0.21 6.54 6.04 -0.49 -2.68 117.35 132.57 1mx9 s TYR 5346Ca 0.62 -1.49 -0.10 0.00 0.04 0.00 0.00 57.07 56.15 1mx9 s TYR 5346Cb -0.28 -1.99 -0.05 0.00 -1.04 0.00 0.00 41.96 38.61 1mx9 s TYR 5346CO 0.23 -0.74 0.12 1.41 -1.54 0.00 0.00 175.55 175.04 1mx9 s MET 5347N 1.33 4.10 -0.10 4.97 -2.45 -0.85 -2.26 119.30 124.05 1mx9 s MET 5347Ca 0.04 -0.26 -0.01 0.00 -1.25 0.00 0.00 55.69 54.20 1mx9 s MET 5347Cb -0.14 -3.41 0.03 0.00 1.25 0.00 0.00 34.83 32.56 1mx9 s MET 5347CO -0.09 0.22 -0.02 0.08 1.05 0.00 0.00 175.02 176.26 1mx9 s VAL 5348N 0.59 0.59 0.39 10.11 1.01 0.89 -1.73 120.40 132.25 1mx9 s VAL 5348Ca 0.07 -0.08 0.05 0.00 0.00 0.00 0.00 61.98 62.02 1mx9 s VAL 5348Cb -0.12 -0.75 -0.02 0.00 0.00 0.00 0.00 36.38 35.49 1mx9 s VAL 5348CO 0.00 0.24 0.18 -0.83 0.00 0.00 0.00 175.10 174.69 1mx9 s GLY 5349N 1.88 2.58 0.30 4.51 0.00 -0.99 -3.22 107.32 112.39 1mx9 s GLY 5349Ca 0.04 -1.41 -0.04 0.00 0.00 0.00 0.00 44.72 43.32 1mx9 s GLY 5349CO -0.06 -1.74 0.47 0.29 0.00 0.00 0.00 173.10 172.06 1mx9 n ILE 5350N -0.85 0.00 -4.40 0.90 -6.64 -1.14 -2.03 119.36 105.20 1mx9 n ILE 5350Ca -0.03 -1.37 -0.24 0.00 -1.77 0.00 0.00 62.75 59.35 1mx9 n ILE 5350Cb 0.64 0.91 -0.09 0.00 -1.44 0.00 0.00 39.64 39.66 1mx9 n ILE 5350CO 0.00 0.00 0.00 0.20 -1.77 0.00 0.00 176.55 174.98 1mx9 s ASN 5351N -2.82 4.01 0.08 7.28 0.02 -1.26 0.01 114.94 122.26 1mx9 s ASN 5351Ca 0.22 -0.94 -0.31 0.00 -1.02 0.00 0.00 52.86 50.81 1mx9 s ASN 5351Cb -0.02 -0.51 -0.17 0.00 0.02 0.00 0.00 41.25 40.57 1mx9 s ASN 5351CO 0.16 -0.08 1.64 0.50 0.02 0.00 0.00 177.10 179.35 1mx9 h LYS 5352N 2.01 -0.71 -2.48 -0.60 1.63 -0.22 -3.33 116.57 112.87 1mx9 h LYS 5352Ca -0.42 0.05 -0.66 0.00 -0.85 0.00 0.00 60.65 58.77 1mx9 h LYS 5352Cb 1.25 0.16 -0.38 0.00 -0.60 0.00 0.00 32.23 32.66 1mx9 h LYS 5352CO 0.63 -0.47 -0.21 1.04 -3.45 0.00 0.00 179.45 176.99 1mx9 n GLN 5353N -5.42 3.01 0.06 1.90 6.02 -0.01 -4.93 117.38 118.02 1mx9 n GLN 5353Ca -0.12 -4.63 -0.11 0.00 -0.01 0.00 0.00 57.00 52.13 1mx9 n GLN 5353Cb 0.31 -2.33 -0.07 0.00 1.02 0.00 0.00 30.24 29.17 1mx9 n GLN 5353CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1mx9 h GLU 5354N 4.65 -0.49 -0.98 -1.09 4.39 -1.70 0.10 114.58 119.46 1mx9 h GLU 5354Ca 0.20 0.03 -0.07 0.00 0.34 0.00 0.00 59.36 59.86 1mx9 h GLU 5354Cb 0.66 0.11 -0.04 0.00 -0.10 0.00 0.00 28.75 29.38 1mx9 h GLU 5354CO 0.96 -0.33 0.08 0.34 -1.16 0.00 0.00 179.01 178.91 1mx9 n PHE 5355N -4.55 0.48 0.01 4.33 -0.00 -1.26 -3.16 117.46 113.32 1mx9 n PHE 5355Ca -0.06 -0.58 -0.01 0.00 -0.00 0.00 0.00 57.45 56.80 1mx9 n PHE 5355Cb 0.28 -0.32 -0.01 0.00 -0.00 0.00 0.00 39.48 39.44 1mx9 n PHE 5355CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.76 177.54 1mx9 h GLY 5356N 3.82 -0.95 0.00 7.13 0.00 -1.10 -3.43 103.07 108.54 1mx9 h GLY 5356Ca 0.08 0.41 0.00 0.00 0.00 0.00 0.00 47.33 47.82 1mx9 h GLY 5356CO 0.16 -0.35 0.00 1.87 0.00 0.00 0.00 176.54 178.22 1mx9 n TRP 5357N -2.52 -0.15 0.30 5.60 -0.00 -1.26 -4.94 117.44 114.48 1mx9 n TRP 5357Ca -0.01 0.00 -0.15 0.00 -0.00 0.00 0.00 57.50 57.34 1mx9 n TRP 5357Cb 0.03 0.28 -0.08 0.00 -0.00 0.00 0.00 31.31 31.53 1mx9 n TRP 5357CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 177.69 178.94 1mx9 h LEU 5358N 0.00 -1.01 0.13 5.87 5.85 -1.89 -1.05 115.31 123.21 1mx9 h LEU 5358Ca 0.00 0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.80 1mx9 h LEU 5358Cb 0.00 0.31 -0.04 0.00 0.37 0.00 0.00 40.66 41.29 1mx9 h LEU 5358CO 0.00 -0.57 -0.42 0.40 -0.34 0.00 0.00 178.44 177.51 1mx9 h ILE 5359N -0.90 0.15 -0.48 4.05 2.04 -1.90 -0.80 117.51 119.68 1mx9 h ILE 5359Ca -0.07 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.76 1mx9 h ILE 5359Cb 0.74 0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 36.94 1mx9 h ILE 5359CO 0.04 0.00 0.18 1.55 0.00 0.00 0.00 178.15 179.92 1mx9 h PRO 5360N -0.67 0.68 -0.98 2.37 0.13 -1.83 -2.29 132.00 129.41 1mx9 h PRO 5360Ca 0.02 -0.10 0.09 0.00 -0.87 0.00 0.00 66.00 65.14 1mx9 h PRO 5360Cb 0.69 -0.12 -0.08 0.00 0.13 0.00 0.00 31.00 31.62 1mx9 h PRO 5360CO -0.24 0.57 0.62 1.98 -0.23 0.00 0.00 178.00 180.70 1mx9 h MET 5361N 0.68 1.02 -0.07 0.86 -1.53 -0.51 -1.95 114.93 113.42 1mx9 h MET 5361Ca 0.16 -0.06 0.00 0.00 -3.44 0.00 0.00 59.70 56.36 1mx9 h MET 5361Cb 0.15 -0.23 0.00 0.00 -0.55 0.00 0.00 31.60 30.97 1mx9 h MET 5361CO -0.01 0.67 0.00 1.28 0.14 0.00 0.00 176.91 178.99 1mx9 n LEU 5363N -4.59 1.20 -0.12 3.39 4.77 -0.37 -3.69 117.00 117.60 1mx9 n LEU 5363Ca 0.17 -0.46 0.01 0.00 -0.03 0.00 0.00 56.01 55.70 1mx9 n LEU 5363Cb 0.27 -0.04 0.02 0.00 -2.33 0.00 0.00 43.42 41.34 1mx9 n LEU 5363CO 0.29 0.23 0.37 0.23 -1.33 0.00 0.00 177.39 177.18 1mx9 n MET 5364N -0.02 0.54 -3.10 3.23 2.81 -0.76 -4.76 117.12 115.05 1mx9 n MET 5364Ca 0.18 -0.97 -0.13 0.00 -1.81 0.00 0.00 57.70 54.96 1mx9 n MET 5364Cb 0.28 -1.05 0.07 0.00 -0.71 0.00 0.00 33.22 31.80 1mx9 n MET 5364CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1mx9 n SER 5365N 0.01 -2.18 -4.77 7.83 7.64 -1.02 -2.10 113.62 119.03 1mx9 n SER 5365Ca 0.02 -0.48 -0.37 0.00 1.01 0.00 0.00 58.87 59.04 1mx9 n SER 5365Cb 0.14 -4.10 -0.01 0.00 -1.01 0.00 0.00 64.21 59.23 1mx9 n SER 5365CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1mx9 s TYR 5366N -3.28 2.87 -1.25 1.43 1.51 -1.14 -4.77 117.35 112.71 1mx9 s TYR 5366Ca 0.01 1.52 -0.08 0.00 -1.01 0.00 0.00 57.07 57.52 1mx9 s TYR 5366Cb -0.00 -3.42 0.18 0.00 -0.11 0.00 0.00 41.96 38.61 1mx9 s TYR 5366CO 0.57 -1.59 1.88 -2.30 -1.11 0.00 0.00 175.55 173.00 1mx9 n PRO 5367N -0.39 3.89 -2.01 -1.71 -0.02 -1.26 -4.71 135.00 128.79 1mx9 n PRO 5367Ca 0.07 -3.68 -0.25 0.00 -2.02 0.00 0.00 63.50 57.62 1mx9 n PRO 5367Cb 0.47 -2.82 0.02 0.00 -0.02 0.00 0.00 33.50 31.15 1mx9 n PRO 5367CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1mx9 n LEU 5368N 3.18 5.10 0.00 2.45 4.32 -1.26 -4.82 117.00 125.97 1mx9 n LEU 5368Ca 0.40 -4.75 0.01 0.00 -0.02 0.00 0.00 56.01 51.65 1mx9 n LEU 5368Cb 0.34 -0.39 0.04 0.00 -1.62 0.00 0.00 43.42 41.79 1mx9 n LEU 5368CO 0.79 2.08 0.17 -1.54 -1.22 0.00 0.00 177.39 177.66 1mx9 n SER 5369N -0.71 0.00 0.00 -1.43 3.41 -1.26 -2.70 113.62 110.93 1mx9 n SER 5369Ca 0.45 -0.19 0.00 0.00 -0.26 0.00 0.00 58.87 58.87 1mx9 n SER 5369Cb 0.93 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.88 1mx9 n SER 5369CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1mx9 n GLU 5370N -0.69 1.20 -0.49 4.33 -0.58 -1.26 -4.98 120.64 118.17 1mx9 n GLU 5370Ca 0.01 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.75 1mx9 n GLU 5370Cb 0.00 -0.91 0.00 0.00 -0.57 0.00 0.00 31.44 29.96 1mx9 n GLU 5370CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1mx9 n GLY 5371N 2.09 0.13 3.53 0.62 0.00 -1.10 -4.89 105.19 105.57 1mx9 n GLY 5371Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1mx9 n GLY 5371CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1mx9 s GLN 5372N -0.79 3.79 -0.05 1.61 -0.21 -1.26 -4.06 119.66 118.69 1mx9 s GLN 5372Ca 0.00 -0.43 0.01 0.00 0.02 0.00 0.00 55.36 54.97 1mx9 s GLN 5372Cb 0.00 -3.22 0.02 0.00 1.00 0.00 0.00 33.01 30.81 1mx9 s GLN 5372CO 0.00 0.06 -0.07 -1.17 -2.12 0.00 0.00 175.29 171.99 1mx9 s LEU 5373N 0.92 1.45 0.14 2.90 2.96 0.45 -4.95 118.68 122.54 1mx9 s LEU 5373Ca 0.03 -0.19 0.05 0.00 -0.22 0.00 0.00 54.13 53.80 1mx9 s LEU 5373Cb -0.14 -0.59 -0.04 0.00 0.50 0.00 0.00 46.19 45.92 1mx9 s LEU 5373CO 0.03 -0.02 0.10 1.51 -1.32 0.00 0.00 176.35 176.64 1mx9 s ASP 5374N 0.82 5.43 0.26 3.68 -4.77 -1.26 -4.40 116.67 116.43 1mx9 s ASP 5374Ca -0.12 -0.12 -0.05 0.00 -3.30 0.00 0.00 52.55 48.95 1mx9 s ASP 5374Cb -0.15 -1.40 0.50 0.00 -1.09 0.00 0.00 42.92 40.78 1mx9 s ASP 5374CO 0.01 0.11 1.61 -0.61 0.70 0.00 0.00 175.17 176.99 1mx9 h GLN 5375N 2.75 0.07 0.33 2.11 5.75 -1.98 0.33 115.11 124.47 1mx9 h GLN 5375Ca -0.47 -0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.02 1mx9 h GLN 5375Cb 1.19 -0.01 -0.03 0.00 1.07 0.00 0.00 27.48 29.69 1mx9 h GLN 5375CO 0.63 0.04 -0.41 -0.22 -2.65 0.00 0.00 178.83 176.23 1mx9 h LYS 5376N 0.07 -0.75 -0.59 1.69 3.64 -1.99 0.14 116.57 118.77 1mx9 h LYS 5376Ca 0.46 0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.92 1mx9 h LYS 5376Cb 0.83 0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 32.78 1mx9 h LYS 5376CO -0.76 -0.50 0.35 1.15 -2.27 0.00 0.00 179.45 177.42 1mx9 h THR 5377N -0.78 1.06 0.51 1.00 2.02 -1.65 -2.41 112.91 112.66 1mx9 h THR 5377Ca -0.02 -0.24 -0.02 0.00 0.77 0.00 0.00 66.41 66.90 1mx9 h THR 5377Cb 0.72 0.30 -0.02 0.00 -1.74 0.00 0.00 68.15 67.41 1mx9 h THR 5377CO -0.11 0.13 -0.47 0.00 0.37 0.00 0.00 175.52 175.43 1mx9 h ALA 5378N 1.26 -1.15 -0.63 6.16 0.00 0.07 0.72 119.26 125.70 1mx9 h ALA 5378Ca 0.24 -0.19 0.18 0.00 0.00 0.00 0.00 54.91 55.15 1mx9 h ALA 5378Cb 0.04 0.68 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 1mx9 h ALA 5378CO -0.11 -1.17 0.58 0.52 0.00 0.00 0.00 179.25 179.08 1mx9 h MET 5379N -0.97 0.00 0.12 0.00 2.07 -0.61 0.15 114.93 115.68 1mx9 h MET 5379Ca -0.07 0.00 -0.29 0.00 -2.07 0.00 0.00 59.70 57.28 1mx9 h MET 5379Cb 0.83 0.00 -0.00 0.00 -1.87 0.00 0.00 31.60 30.56 1mx9 h MET 5379CO -0.03 0.00 -1.37 0.77 1.07 0.00 0.00 176.91 177.35 1mx9 h SER 5380N 0.00 0.39 0.68 1.22 0.02 -0.74 -3.09 113.55 112.03 1mx9 h SER 5380Ca 0.30 -0.47 -0.18 0.00 -0.84 0.00 0.00 61.79 60.61 1mx9 h SER 5380Cb 1.47 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 63.86 1mx9 h SER 5380CO -0.00 1.38 -0.81 -0.07 -1.14 0.00 0.00 176.83 176.19 1mx9 h LEU 5381N 0.07 0.11 -0.83 5.07 3.38 0.93 -3.01 115.31 121.03 1mx9 h LEU 5381Ca -0.18 -0.09 -0.10 0.00 0.09 0.00 0.00 57.88 57.60 1mx9 h LEU 5381Cb 1.99 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 42.69 1mx9 h LEU 5381CO 0.18 0.87 -0.15 0.25 0.09 0.00 0.00 178.44 179.68 1mx9 h LEU 5382N 0.05 0.70 0.14 1.67 5.85 -1.15 -1.45 115.31 121.12 1mx9 h LEU 5382Ca -0.02 -0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.47 1mx9 h LEU 5382Cb 1.41 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.25 1mx9 h LEU 5382CO 0.11 0.87 -0.06 -0.25 -0.34 0.00 0.00 178.44 178.77 1mx9 h TRP 5383N 0.64 -0.17 -0.26 1.25 -0.00 -1.53 -2.58 115.95 113.29 1mx9 h TRP 5383Ca 0.10 -0.00 0.08 0.00 -0.00 0.00 0.00 58.89 59.07 1mx9 h TRP 5383Cb 0.62 0.06 -0.01 0.00 -0.00 0.00 0.00 29.16 29.83 1mx9 h TRP 5383CO 0.03 0.18 0.22 0.87 -0.00 0.00 0.00 178.44 179.74 1mx9 h LYS 5384N -0.54 0.00 0.00 2.65 1.79 -1.47 0.34 116.57 119.34 1mx9 h LYS 5384Ca -0.02 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 1mx9 h LYS 5384Cb 0.42 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.07 1mx9 h LYS 5384CO 0.03 0.00 0.00 0.43 -1.08 0.00 0.00 179.45 178.83 1mx9 n SER 5385N -4.18 0.00 -0.34 0.86 7.64 -0.55 -4.36 113.62 112.68 1mx9 n SER 5385Ca 0.03 -1.38 0.14 0.00 1.01 0.00 0.00 58.87 58.67 1mx9 n SER 5385Cb 0.37 0.00 0.28 0.00 -1.01 0.00 0.00 64.21 63.85 1mx9 n SER 5385CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 1mx9 h TYR 5386N 0.00 -0.08 -0.63 1.43 3.20 -0.24 0.16 116.97 120.80 1mx9 h TYR 5386Ca 0.00 0.07 -0.04 0.00 3.14 0.00 0.00 58.73 61.91 1mx9 h TYR 5386Cb 0.00 0.20 -0.03 0.00 1.54 0.00 0.00 36.73 38.44 1mx9 h TYR 5386CO 0.00 -0.43 0.25 -1.00 -1.64 0.00 0.00 178.16 175.34 1mx9 h PRO 5387N 0.01 0.93 0.23 1.82 0.13 -1.78 0.99 132.00 134.33 1mx9 h PRO 5387Ca 0.58 -0.15 -0.01 0.00 -0.87 0.00 0.00 66.00 65.55 1mx9 h PRO 5387Cb 1.18 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.15 1mx9 h PRO 5387CO -0.92 0.76 -0.11 -0.07 -0.23 0.00 0.00 178.00 177.43 1mx9 h LEU 5388N 0.91 -0.26 0.05 1.56 3.38 -1.05 -3.40 115.31 116.51 1mx9 h LEU 5388Ca 0.22 -0.27 -0.36 0.00 0.09 0.00 0.00 57.88 57.56 1mx9 h LEU 5388Cb 0.18 0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 1mx9 h LEU 5388CO -0.02 0.20 -2.11 1.33 0.09 0.00 0.00 178.44 177.93 1mx9 n VAL 5389N -5.02 1.63 -1.00 1.22 0.24 -0.77 -4.35 118.33 110.28 1mx9 n VAL 5389Ca -0.09 -0.69 -0.00 0.00 -2.04 0.00 0.00 64.34 61.53 1mx9 n VAL 5389Cb 0.26 -1.37 -0.00 0.00 -1.47 0.00 0.00 33.84 31.26 1mx9 n VAL 5389CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1mx9 s ILE 5391N -1.92 2.34 0.55 0.00 1.01 -1.26 -4.96 121.20 116.96 1mx9 s ILE 5391Ca 0.00 0.26 -0.18 0.00 0.00 0.00 0.00 60.65 60.73 1mx9 s ILE 5391Cb 0.00 -3.17 -0.05 0.00 0.01 0.00 0.00 42.46 39.25 1mx9 s ILE 5391CO 0.00 0.03 1.08 0.00 0.00 0.00 0.00 174.94 176.05 1mx9 s ALA 5392N 0.68 2.73 0.18 9.38 0.00 -1.26 -4.85 121.76 128.61 1mx9 s ALA 5392Ca 0.68 0.63 -0.13 0.00 0.00 0.00 0.00 51.96 53.13 1mx9 s ALA 5392Cb -0.46 -3.29 0.13 0.00 0.00 0.00 0.00 23.12 19.50 1mx9 s ALA 5392CO 0.37 -0.70 1.77 -0.22 0.00 0.00 0.00 175.76 176.99 1mx9 h LYS 5393N 1.00 0.43 -0.62 0.00 1.63 -1.98 0.26 116.57 117.29 1mx9 h LYS 5393Ca -0.49 -0.03 0.05 0.00 -0.85 0.00 0.00 60.65 59.34 1mx9 h LYS 5393Cb 1.24 -0.10 -0.04 0.00 -0.60 0.00 0.00 32.23 32.73 1mx9 h LYS 5393CO 0.57 0.29 0.41 1.05 -3.45 0.00 0.00 179.45 178.32 1mx9 h GLU 5394N 0.44 0.62 0.00 1.90 4.11 -2.03 -1.93 114.58 117.69 1mx9 h GLU 5394Ca 0.22 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.61 1mx9 h GLU 5394Cb 0.16 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1mx9 h GLU 5394CO -0.17 0.41 -0.61 -0.07 0.07 0.00 0.00 179.01 178.64 1mx9 h LEU 5395N 0.64 0.00 -0.83 3.06 3.38 -1.72 -3.39 115.31 116.46 1mx9 h LEU 5395Ca 0.26 -0.08 0.15 0.00 0.09 0.00 0.00 57.88 58.30 1mx9 h LEU 5395Cb 0.22 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 40.82 1mx9 h LEU 5395CO -0.08 0.04 -0.29 0.40 0.09 0.00 0.00 178.44 178.60 1mx9 h ILE 5396N 0.00 0.11 -0.63 1.22 1.08 -0.14 -1.09 117.51 118.06 1mx9 h ILE 5396Ca 0.00 0.00 -0.09 0.00 -0.39 0.00 0.00 64.86 64.38 1mx9 h ILE 5396Cb 0.88 0.11 -0.02 0.00 -3.07 0.00 0.00 36.82 34.72 1mx9 h ILE 5396CO 0.00 0.00 0.05 -0.65 -0.69 0.00 0.00 178.15 176.86 1mx9 h PRO 5397N -0.04 1.07 -0.58 2.37 0.11 -1.75 -0.53 132.00 132.64 1mx9 h PRO 5397Ca 0.35 -0.31 0.06 0.00 0.11 0.00 0.00 66.00 66.20 1mx9 h PRO 5397Cb 0.60 -0.11 -0.05 0.00 0.11 0.00 0.00 31.00 31.55 1mx9 h PRO 5397CO -0.86 1.01 0.29 1.49 -0.21 0.00 0.00 178.00 179.73 1mx9 h GLU 5398N 0.99 0.54 -0.06 1.05 4.81 -1.46 -0.48 114.58 119.96 1mx9 h GLU 5398Ca 0.19 -0.03 -0.16 0.00 -0.13 0.00 0.00 59.36 59.22 1mx9 h GLU 5398Cb 0.50 -0.12 0.01 0.00 0.63 0.00 0.00 28.75 29.77 1mx9 h GLU 5398CO 0.02 0.36 -0.60 0.00 -0.73 0.00 0.00 179.01 178.06 1mx9 h ALA 5399N 1.32 0.16 -0.35 2.92 0.00 -1.41 -2.11 119.26 119.79 1mx9 h ALA 5399Ca 0.26 -0.55 0.08 0.00 0.00 0.00 0.00 54.91 54.70 1mx9 h ALA 5399Cb 0.18 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 17.90 1mx9 h ALA 5399CO -0.18 0.42 -0.19 1.15 0.00 0.00 0.00 179.25 180.44 1mx9 h THR 5400N 0.10 0.45 0.76 0.00 2.02 -0.79 -1.82 112.91 113.63 1mx9 h THR 5400Ca -0.06 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.09 1mx9 h THR 5400Cb 1.26 0.45 0.01 0.00 -1.74 0.00 0.00 68.15 68.13 1mx9 h THR 5400CO 0.12 0.00 -0.37 -0.08 0.37 0.00 0.00 175.52 175.56 1mx9 h GLU 5401N -0.14 -0.99 -0.72 6.66 4.57 -1.14 0.13 114.58 122.95 1mx9 h GLU 5401Ca 0.18 0.07 0.16 0.00 -1.18 0.00 0.00 59.36 58.59 1mx9 h GLU 5401Cb 0.41 0.22 -0.14 0.00 -0.16 0.00 0.00 28.75 29.08 1mx9 h GLU 5401CO -0.43 -0.66 -0.11 1.17 -1.18 0.00 0.00 179.01 177.80 1mx9 n LYS 5402N -4.78 -0.06 0.03 1.92 3.00 -0.79 0.14 118.16 117.62 1mx9 n LYS 5402Ca -0.13 1.11 -0.16 0.00 -0.00 0.00 0.00 58.31 59.14 1mx9 n LYS 5402Cb 0.41 -1.70 -0.14 0.00 0.00 0.00 0.00 35.03 33.60 1mx9 n LYS 5402CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.40 179.28 1mx9 h TYR 5403N 0.00 0.34 0.00 5.64 -1.99 -1.23 -3.41 116.97 116.33 1mx9 h TYR 5403Ca 0.38 -0.25 -0.10 0.00 2.00 0.00 0.00 58.73 60.75 1mx9 h TYR 5403Cb 0.66 -0.01 -0.02 0.00 2.00 0.00 0.00 36.73 39.36 1mx9 h TYR 5403CO -0.49 1.38 -1.98 1.28 -0.00 0.00 0.00 178.16 178.35 1mx9 n LEU 5404N -3.36 0.00 -0.06 3.88 4.77 0.44 -4.33 117.00 118.34 1mx9 n LEU 5404Ca -0.20 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.78 1mx9 n LEU 5404Cb 1.04 0.14 0.00 0.00 -2.33 0.00 0.00 43.42 42.27 1mx9 n LEU 5404CO 0.47 0.14 0.21 0.61 -1.33 0.00 0.00 177.39 177.49 1mx9 n GLY 5405N 1.57 -0.32 0.14 -0.72 0.00 0.37 -3.10 105.19 103.13 1mx9 n GLY 5405Ca -0.12 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.69 1mx9 n GLY 5405CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1mx9 h GLY 5406N 2.66 0.51 -1.23 -0.02 0.00 -1.75 -3.48 103.07 99.75 1mx9 h GLY 5406Ca 0.00 -1.20 -0.56 0.00 0.00 0.00 0.00 47.33 45.57 1mx9 h GLY 5406CO 0.00 1.05 -0.50 -1.08 0.00 0.00 0.00 176.54 176.01 1mx9 s THR 5407N -2.66 0.50 -0.52 4.70 -1.32 -1.18 -5.09 115.64 110.07 1mx9 s THR 5407Ca -0.11 -2.00 0.07 0.00 -1.21 0.00 0.00 61.69 58.44 1mx9 s THR 5407Cb 0.03 -2.33 0.33 0.00 -1.51 0.00 0.00 72.50 69.03 1mx9 s THR 5407CO 0.88 0.00 0.87 0.47 -2.21 0.00 0.00 174.62 174.63 1mx9 n ASP 5408N -1.40 3.36 -3.57 8.08 9.92 -1.26 -4.96 116.55 126.71 1mx9 n ASP 5408Ca -0.05 -3.47 -0.21 0.00 -0.53 0.00 0.00 54.79 50.53 1mx9 n ASP 5408Cb 0.65 -0.59 -0.15 0.00 -0.64 0.00 0.00 41.12 40.39 1mx9 n ASP 5408CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1mx9 s ASP 5409N -3.07 1.61 0.45 -2.24 2.15 -1.26 -5.03 116.67 109.28 1mx9 s ASP 5409Ca 0.46 -0.26 0.26 0.00 0.43 0.00 0.00 52.55 53.44 1mx9 s ASP 5409Cb 0.29 0.11 1.29 0.00 -0.30 0.00 0.00 42.92 44.31 1mx9 s ASP 5409CO -0.11 -0.32 1.77 0.71 -0.17 0.00 0.00 175.17 177.05 1mx9 h THR 5410N 6.37 0.46 0.52 1.71 1.35 -1.94 0.11 112.91 121.49 1mx9 h THR 5410Ca -0.15 -0.08 -0.03 0.00 -0.55 0.00 0.00 66.41 65.60 1mx9 h THR 5410Cb 1.14 0.21 0.01 0.00 -1.73 0.00 0.00 68.15 67.77 1mx9 h THR 5410CO 0.26 0.04 -0.25 0.58 -0.25 0.00 0.00 175.52 175.90 1mx9 h VAL 5411N 0.23 0.00 -0.21 6.82 2.07 -1.86 0.14 116.25 123.44 1mx9 h VAL 5411Ca 0.60 -0.28 0.04 0.00 0.82 0.00 0.00 66.70 67.87 1mx9 h VAL 5411Cb 1.85 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 1mx9 h VAL 5411CO -0.20 0.00 0.14 0.11 0.02 0.00 0.00 177.57 177.64 1mx9 h LYS 5412N -0.98 0.12 -0.49 1.57 1.57 -1.66 -2.12 116.57 114.58 1mx9 h LYS 5412Ca -0.07 -0.01 -0.12 0.00 -1.87 0.00 0.00 60.65 58.58 1mx9 h LYS 5412Cb 0.54 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 1mx9 h LYS 5412CO 0.12 0.08 -0.18 0.87 -0.57 0.00 0.00 179.45 179.77 1mx9 h LYS 5413N 0.13 0.97 -0.20 3.15 1.57 -0.84 -2.72 116.57 118.62 1mx9 h LYS 5413Ca 0.09 -0.39 0.02 0.00 -1.87 0.00 0.00 60.65 58.50 1mx9 h LYS 5413Cb 0.21 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 1mx9 h LYS 5413CO -0.01 1.06 0.08 -0.22 -0.57 0.00 0.00 179.45 179.79 1mx9 h LYS 5414N 0.84 0.18 -0.27 3.15 3.64 -1.05 -0.13 116.57 122.93 1mx9 h LYS 5414Ca 0.12 -0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.55 1mx9 h LYS 5414Cb 0.75 -0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 32.46 1mx9 h LYS 5414CO 0.06 0.12 -0.19 -0.44 -2.27 0.00 0.00 179.45 176.73 1mx9 h ASP 5415N 0.18 -0.61 -0.75 4.20 3.32 -1.43 0.28 116.42 121.61 1mx9 h ASP 5415Ca 0.09 0.13 0.08 0.00 0.02 0.00 0.00 57.03 57.34 1mx9 h ASP 5415Cb 0.04 0.31 -0.05 0.00 0.22 0.00 0.00 39.33 39.86 1mx9 h ASP 5415CO -0.08 -0.22 0.49 -0.07 -1.72 0.00 0.00 179.24 177.64 1mx9 h LEU 5416N -0.17 0.64 -0.57 1.55 3.38 -1.15 -0.07 115.31 118.92 1mx9 h LEU 5416Ca 0.15 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.07 1mx9 h LEU 5416Cb 0.39 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1mx9 h LEU 5416CO -0.37 0.40 0.13 0.15 0.09 0.00 0.00 178.44 178.83 1mx9 h PHE 5417N 0.72 0.97 0.00 1.13 3.57 0.87 0.41 116.94 124.62 1mx9 h PHE 5417Ca 0.33 -0.12 0.00 0.00 3.53 0.00 0.00 57.97 61.71 1mx9 h PHE 5417Cb 0.37 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 38.83 1mx9 h PHE 5417CO -0.00 0.84 0.00 -0.07 -2.23 0.00 0.00 178.31 176.85 1mx9 h LEU 5418N 0.83 0.00 0.06 0.59 3.38 0.71 -1.50 115.31 119.38 1mx9 h LEU 5418Ca 0.18 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.89 1mx9 h LEU 5418Cb 0.36 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1mx9 h LEU 5418CO 0.00 0.00 -1.29 0.44 0.09 0.00 0.00 178.44 177.68 1mx9 h ASP 5419N 0.00 0.18 0.55 -0.43 3.32 0.14 -2.68 116.42 117.51 1mx9 h ASP 5419Ca 0.00 -0.23 -0.02 0.00 0.02 0.00 0.00 57.03 56.80 1mx9 h ASP 5419Cb 0.37 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 39.85 1mx9 h ASP 5419CO 0.00 1.19 -0.34 0.25 -1.72 0.00 0.00 179.24 178.61 1mx9 h LEU 5420N 0.03 -0.87 0.09 1.55 5.85 0.09 0.27 115.31 122.33 1mx9 h LEU 5420Ca -0.14 0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.65 1mx9 h LEU 5420Cb 1.91 0.25 -0.04 0.00 0.37 0.00 0.00 40.66 43.15 1mx9 h LEU 5420CO 0.14 -0.52 -0.35 0.40 -0.34 0.00 0.00 178.44 177.77 1mx9 h ILE 5421N -0.84 0.26 -0.52 4.05 1.08 -1.63 -1.30 117.51 118.63 1mx9 h ILE 5421Ca -0.07 0.00 0.15 0.00 -0.39 0.00 0.00 64.86 64.55 1mx9 h ILE 5421Cb 0.67 0.26 -0.02 0.00 -3.07 0.00 0.00 36.82 34.66 1mx9 h ILE 5421CO 0.07 0.00 0.37 0.00 -0.69 0.00 0.00 178.15 177.90 1mx9 h ALA 5422N 0.05 2.49 0.08 1.87 0.00 -1.44 -0.68 119.26 121.63 1mx9 h ALA 5422Ca 0.04 -0.02 -0.27 0.00 0.00 0.00 0.00 54.91 54.66 1mx9 h ALA 5422Cb 0.61 0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.45 1mx9 h ALA 5422CO -0.22 -0.64 -1.14 -0.44 0.00 0.00 0.00 179.25 176.81 1mx9 h ASP 5423N 0.00 0.69 0.95 0.00 3.32 0.61 -3.04 116.42 118.94 1mx9 h ASP 5423Ca 0.25 -0.62 -0.12 0.00 0.02 0.00 0.00 57.03 56.55 1mx9 h ASP 5423Cb 0.99 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.30 1mx9 h ASP 5423CO -0.00 1.44 -0.58 0.58 -1.72 0.00 0.00 179.24 178.95 1mx9 h VAL 5424N 0.23 1.18 0.10 -1.35 2.07 -0.38 0.40 116.25 118.51 1mx9 h VAL 5424Ca -0.14 -2.18 -0.15 0.00 0.82 0.00 0.00 66.70 65.05 1mx9 h VAL 5424Cb 1.81 2.26 0.01 0.00 -1.52 0.00 0.00 31.29 33.85 1mx9 h VAL 5424CO 0.21 0.57 -0.68 0.24 0.02 0.00 0.00 177.57 177.93 1mx9 h MET 5425N 0.00 0.22 0.00 1.57 2.86 -1.24 -3.42 114.93 114.92 1mx9 h MET 5425Ca -0.01 -0.37 0.00 0.00 -2.06 0.00 0.00 59.70 57.26 1mx9 h MET 5425Cb 1.21 0.14 0.00 0.00 0.06 0.00 0.00 31.60 33.01 1mx9 h MET 5425CO 0.08 1.18 -0.51 1.19 1.06 0.00 0.00 176.91 179.90 1mx9 n PHE 5426N -4.23 0.00 0.00 -0.22 3.01 -1.16 -4.60 117.46 110.26 1mx9 n PHE 5426Ca -0.14 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.32 1mx9 n PHE 5426Cb 0.74 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.21 1mx9 n PHE 5426CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1mx9 n GLY 5427N 1.30 -1.58 0.19 1.37 0.00 -0.80 -2.24 105.19 103.43 1mx9 n GLY 5427Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 1mx9 n GLY 5427CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1mx9 h VAL 5428N 0.00 0.64 -0.62 1.61 2.07 -1.25 -2.52 116.25 116.17 1mx9 h VAL 5428Ca 0.00 -0.05 0.12 0.00 0.82 0.00 0.00 66.70 67.60 1mx9 h VAL 5428Cb 0.00 0.50 -0.12 0.00 -1.52 0.00 0.00 31.29 30.15 1mx9 h VAL 5428CO 0.00 0.02 -0.22 -0.65 0.02 0.00 0.00 177.57 176.74 1mx9 h PRO 5429N 0.13 -0.06 0.94 1.57 0.11 -1.77 -1.24 132.00 131.68 1mx9 h PRO 5429Ca 0.24 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.31 1mx9 h PRO 5429Cb 0.36 0.01 0.01 0.00 0.11 0.00 0.00 31.00 31.49 1mx9 h PRO 5429CO -0.39 -0.04 -0.45 0.77 -0.21 0.00 0.00 178.00 177.68 1mx9 h SER 5430N -0.06 -1.07 -1.16 -2.05 0.02 -1.02 -0.81 113.55 107.41 1mx9 h SER 5430Ca 0.29 0.04 0.34 0.00 -0.84 0.00 0.00 61.79 61.61 1mx9 h SER 5430Cb 0.51 0.28 -0.10 0.00 0.14 0.00 0.00 62.40 63.22 1mx9 h SER 5430CO -0.67 -0.73 0.75 0.58 -1.14 0.00 0.00 176.83 175.62 1mx9 h VAL 5431N -1.32 0.36 0.29 2.27 2.07 -1.31 0.14 116.25 118.75 1mx9 h VAL 5431Ca -0.13 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.29 1mx9 h VAL 5431Cb 0.97 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 1mx9 h VAL 5431CO 0.21 0.05 -0.14 0.40 0.02 0.00 0.00 177.57 178.11 1mx9 h ILE 5432N 0.25 0.45 -0.43 4.57 2.04 -0.98 -0.94 117.51 122.47 1mx9 h ILE 5432Ca 0.68 -0.83 0.09 0.00 1.00 0.00 0.00 64.86 65.80 1mx9 h ILE 5432Cb 1.96 0.74 -0.09 0.00 -0.74 0.00 0.00 36.82 38.69 1mx9 h ILE 5432CO -0.32 0.11 -0.28 0.58 0.00 0.00 0.00 178.15 178.24 1mx9 h VAL 5433N -0.98 0.29 -0.04 1.67 2.07 0.39 -1.23 116.25 118.42 1mx9 h VAL 5433Ca -0.04 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.52 1mx9 h VAL 5433Cb 0.48 0.29 -0.05 0.00 -1.52 0.00 0.00 31.29 30.49 1mx9 h VAL 5433CO 0.07 0.00 -0.27 0.00 0.02 0.00 0.00 177.57 177.38 1mx9 h ALA 5434N 0.96 -0.34 -0.58 1.67 0.00 -0.88 -1.72 119.26 118.37 1mx9 h ALA 5434Ca 0.20 0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.23 1mx9 h ALA 5434Cb 0.51 0.49 -0.11 0.00 0.00 0.00 0.00 17.79 18.68 1mx9 h ALA 5434CO -0.54 -0.76 -0.16 0.00 0.00 0.00 0.00 179.25 177.78 1mx9 h ARG 5435N -0.39 -0.02 -0.22 0.00 3.08 -0.03 0.69 114.38 117.49 1mx9 h ARG 5435Ca 0.07 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.07 1mx9 h ARG 5435Cb 0.50 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.54 1mx9 h ARG 5435CO -0.26 -0.02 -0.12 -0.91 -1.07 0.00 0.00 179.97 177.59 1mx9 h ASN 5436N -0.02 0.34 -0.65 7.04 4.21 -1.01 -1.63 115.58 123.85 1mx9 h ASN 5436Ca 0.27 -0.08 -0.07 0.00 1.21 0.00 0.00 56.30 57.64 1mx9 h ASN 5436Cb 0.44 -0.09 -0.03 0.00 -1.12 0.00 0.00 38.32 37.52 1mx9 h ASN 5436CO -0.60 0.50 0.16 -0.74 -1.29 0.00 0.00 177.43 175.45 1mx9 h HIS 5437N 0.33 1.11 0.44 1.19 2.76 -0.04 -2.29 115.15 118.65 1mx9 h HIS 5437Ca 0.07 -0.13 -0.02 0.00 -2.20 0.00 0.00 60.37 58.09 1mx9 h HIS 5437Cb 0.42 -0.32 0.00 0.00 1.55 0.00 0.00 27.41 29.07 1mx9 h HIS 5437CO 0.01 0.91 -0.21 -0.09 -1.30 0.00 0.00 177.93 177.25 1mx9 h ARG 5438N 1.01 -0.56 0.00 5.26 2.43 -0.22 -2.79 114.38 119.51 1mx9 h ARG 5438Ca 0.21 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.42 1mx9 h ARG 5438Cb 0.36 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.04 1mx9 h ARG 5438CO 0.00 -0.33 0.03 -0.44 -1.51 0.00 0.00 179.97 177.72 1mx9 h ASP 5439N -0.66 0.00 -0.09 -3.80 5.19 -1.16 0.64 116.42 116.54 1mx9 h ASP 5439Ca -0.06 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.35 1mx9 h ASP 5439Cb 0.49 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.00 1mx9 h ASP 5439CO 0.10 0.00 0.00 0.00 -3.12 0.00 0.00 179.24 176.22 1mx9 n ALA 5440N -1.86 2.55 -1.90 3.45 0.00 -0.88 -4.87 120.51 117.01 1mx9 n ALA 5440Ca -0.02 -0.29 -0.08 0.00 0.00 0.00 0.00 53.44 53.05 1mx9 n ALA 5440Cb 0.08 -1.16 -0.01 0.00 0.00 0.00 0.00 19.45 18.35 1mx9 n ALA 5440CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mx9 n GLY 5441N 0.90 0.31 3.70 0.00 0.00 0.22 -4.87 105.19 105.46 1mx9 n GLY 5441Ca 0.13 -0.57 -0.31 0.00 0.00 0.00 0.00 46.02 45.27 1mx9 n GLY 5441CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mx9 s ALA 5442N -2.39 3.34 0.15 4.61 0.00 -1.15 -5.06 121.76 121.27 1mx9 s ALA 5442Ca 0.00 -1.07 -0.31 0.00 0.00 0.00 0.00 51.96 50.58 1mx9 s ALA 5442Cb 0.00 -1.26 -0.10 0.00 0.00 0.00 0.00 23.12 21.75 1mx9 s ALA 5442CO 0.00 0.70 1.68 -2.14 0.00 0.00 0.00 175.76 176.00 1mx9 s PRO 5443N -2.20 4.17 0.07 0.00 0.02 -1.26 -4.33 135.00 131.47 1mx9 s PRO 5443Ca 0.25 2.48 0.03 0.00 0.02 0.00 0.00 61.00 63.78 1mx9 s PRO 5443Cb -0.12 -3.29 -0.03 0.00 0.02 0.00 0.00 34.50 31.09 1mx9 s PRO 5443CO 0.18 -0.72 -0.10 0.99 -0.33 0.00 0.00 177.00 177.02 1mx9 s THR 5444N 1.70 0.82 -0.02 0.99 2.01 -1.26 -1.39 115.64 118.48 1mx9 s THR 5444Ca 0.74 -1.31 -0.08 0.00 0.31 0.00 0.00 61.69 61.36 1mx9 s THR 5444Cb -0.45 -0.96 0.01 0.00 0.01 0.00 0.00 72.50 71.10 1mx9 s THR 5444CO 0.33 -0.39 0.16 -0.31 -0.69 0.00 0.00 174.62 173.72 1mx9 s TYR 5445N -1.66 -0.04 0.04 4.92 2.02 -0.96 -0.12 117.35 121.54 1mx9 s TYR 5445Ca -0.03 0.07 0.00 0.00 -0.37 0.00 0.00 57.07 56.74 1mx9 s TYR 5445Cb -0.08 -0.00 -0.03 0.00 -0.40 0.00 0.00 41.96 41.45 1mx9 s TYR 5445CO 0.01 -0.24 -0.04 -1.64 -1.57 0.00 0.00 175.55 172.07 1mx9 s MET 5446N -0.95 0.45 0.29 -0.62 -1.94 -1.26 -0.08 119.30 115.19 1mx9 s MET 5446Ca -0.10 -0.82 -0.03 0.00 -1.71 0.00 0.00 55.69 53.03 1mx9 s MET 5446Cb -0.06 0.05 -0.01 0.00 2.01 0.00 0.00 34.83 36.82 1mx9 s MET 5446CO 0.01 -0.05 0.37 1.52 -0.01 0.00 0.00 175.02 176.87 1mx9 s TYR 5447N -2.15 1.06 -0.21 -0.03 1.13 -1.20 -0.17 117.35 115.79 1mx9 s TYR 5447Ca -0.08 -1.26 -0.04 0.00 -1.41 0.00 0.00 57.07 54.28 1mx9 s TYR 5447Cb -0.05 -0.23 0.10 0.00 -1.10 0.00 0.00 41.96 40.68 1mx9 s TYR 5447CO -0.03 -0.97 0.28 -2.00 -2.51 0.00 0.00 175.55 170.33 1mx9 s GLU 5448N -3.52 0.24 0.05 -3.49 2.12 -0.66 -2.90 118.70 110.54 1mx9 s GLU 5448Ca 0.32 0.39 -0.29 0.00 0.36 0.00 0.00 54.97 55.76 1mx9 s GLU 5448Cb 0.02 -0.80 -0.05 0.00 0.26 0.00 0.00 34.13 33.56 1mx9 s GLU 5448CO 0.18 -0.60 0.92 0.12 -0.54 0.00 0.00 175.26 175.33 1mx9 s PHE 5449N 2.42 3.73 -0.17 5.30 5.36 0.10 -2.54 117.98 132.18 1mx9 s PHE 5449Ca 0.08 1.67 -0.05 0.00 -0.96 0.00 0.00 56.93 57.68 1mx9 s PHE 5449Cb -0.15 -3.02 0.07 0.00 -0.34 0.00 0.00 43.02 39.57 1mx9 s PHE 5449CO -0.13 0.14 0.12 -1.14 -1.46 0.00 0.00 175.22 172.74 1mx9 s GLN 5450N 0.39 0.08 0.00 10.12 0.74 -0.11 -0.30 119.66 130.58 1mx9 s GLN 5450Ca 0.47 -0.01 0.00 0.00 0.05 0.00 0.00 55.36 55.87 1mx9 s GLN 5450Cb -0.22 -1.66 0.00 0.00 1.10 0.00 0.00 33.01 32.23 1mx9 s GLN 5450CO 0.27 -0.66 0.00 0.98 -0.55 0.00 0.00 175.29 175.34 1mx9 n TYR 5451N 5.29 0.00 -3.56 1.67 9.36 -1.26 -3.60 117.16 125.05 1mx9 n TYR 5451Ca -0.07 0.00 -0.41 0.00 3.32 0.00 0.00 57.90 60.75 1mx9 n TYR 5451Cb 0.49 0.00 -0.08 0.00 -0.63 0.00 0.00 39.34 39.13 1mx9 n TYR 5451CO 0.00 0.00 0.00 0.50 0.22 0.00 0.00 176.86 177.58 1mx9 s ARG 5452N -1.20 2.73 0.46 2.98 3.52 -1.26 -0.91 118.95 125.26 1mx9 s ARG 5452Ca 0.00 -2.15 -0.23 0.00 -0.13 0.00 0.00 55.73 53.21 1mx9 s ARG 5452Cb 0.00 -3.96 -0.09 0.00 -1.56 0.00 0.00 34.95 29.34 1mx9 s ARG 5452CO 0.00 -1.21 1.09 -0.35 -0.81 0.00 0.00 175.30 174.02 1mx9 n PRO 5453N 4.26 1.45 0.02 5.12 -0.04 -1.26 -4.86 135.00 139.69 1mx9 n PRO 5453Ca 0.02 0.52 0.08 0.00 -0.04 0.00 0.00 63.50 64.08 1mx9 n PRO 5453Cb 0.41 -2.18 0.33 0.00 -0.04 0.00 0.00 33.50 32.02 1mx9 n PRO 5453CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1mx9 n SER 5454N 0.14 0.09 -1.30 3.54 3.41 -1.26 -2.89 113.62 115.35 1mx9 n SER 5454Ca 0.09 0.52 0.05 0.00 -0.26 0.00 0.00 58.87 59.27 1mx9 n SER 5454Cb 0.41 -0.54 0.25 0.00 -0.26 0.00 0.00 64.21 64.07 1mx9 n SER 5454CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1mx9 n PHE 5455N -1.59 1.20 -1.15 7.33 0.99 -1.26 -4.96 117.46 118.02 1mx9 n PHE 5455Ca 0.03 -0.43 -0.32 0.00 -0.00 0.00 0.00 57.45 56.73 1mx9 n PHE 5455Cb 0.18 -0.30 0.11 0.00 -1.00 0.00 0.00 39.48 38.47 1mx9 n PHE 5455CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.76 175.64 1mx9 s SER 5456N -0.57 3.93 0.16 4.37 0.01 -1.14 -4.94 113.70 115.51 1mx9 s SER 5456Ca 0.34 2.09 -0.31 0.00 1.31 0.00 0.00 55.95 59.38 1mx9 s SER 5456Cb 0.25 -2.56 -0.09 0.00 0.21 0.00 0.00 66.02 63.83 1mx9 s SER 5456CO 0.12 -2.43 1.47 -0.55 0.41 0.00 0.00 173.24 172.26 1mx9 s SER 5457N -2.75 6.70 0.43 2.44 0.15 -1.26 -4.85 113.70 114.56 1mx9 s SER 5457Ca 0.67 2.51 0.23 0.00 0.70 0.00 0.00 55.95 60.05 1mx9 s SER 5457Cb -0.22 -2.60 1.23 0.00 -1.71 0.00 0.00 66.02 62.72 1mx9 s SER 5457CO 0.53 -0.73 1.65 0.44 1.20 0.00 0.00 173.24 176.33 1mx9 h ASP 5458N 6.43 0.00 -0.10 5.45 3.32 -1.98 0.54 116.42 130.09 1mx9 h ASP 5458Ca -0.43 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.62 1mx9 h ASP 5458Cb 1.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.76 1mx9 h ASP 5458CO 0.87 0.00 0.00 0.23 -1.72 0.00 0.00 179.24 178.62 1mx9 n MET 5459N -2.40 1.43 -3.77 3.56 2.81 -1.26 -4.81 117.12 112.68 1mx9 n MET 5459Ca -0.02 -0.65 -0.36 0.00 -1.81 0.00 0.00 57.70 54.87 1mx9 n MET 5459Cb 0.22 -1.35 -0.07 0.00 -0.71 0.00 0.00 33.22 31.30 1mx9 n MET 5459CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 1mx9 s LYS 5460N -1.88 3.93 0.60 0.03 2.20 0.19 -5.09 119.74 119.72 1mx9 s LYS 5460Ca 0.31 -0.16 -0.15 0.00 -0.36 0.00 0.00 55.97 55.60 1mx9 s LYS 5460Cb 0.16 -3.34 -0.04 0.00 -1.51 0.00 0.00 37.83 33.10 1mx9 s LYS 5460CO 0.24 0.47 1.05 -1.25 -0.36 0.00 0.00 175.35 175.50 1mx9 s PRO 5461N -0.13 3.33 0.19 4.03 0.04 -1.26 -4.94 135.00 136.25 1mx9 s PRO 5461Ca 0.11 1.17 0.20 0.00 0.04 0.00 0.00 61.00 62.52 1mx9 s PRO 5461Cb -0.12 -2.04 0.85 0.00 0.04 0.00 0.00 34.50 33.24 1mx9 s PRO 5461CO 0.01 -0.80 1.60 0.36 0.04 0.00 0.00 177.00 178.20 1mx9 n LYS 5462N -2.09 0.13 -0.00 4.56 2.85 -1.26 -2.98 118.16 119.37 1mx9 n LYS 5462Ca 0.08 0.41 0.15 0.00 -1.05 0.00 0.00 58.31 57.90 1mx9 n LYS 5462Cb 0.53 -1.77 0.85 0.00 -0.65 0.00 0.00 35.03 33.99 1mx9 n LYS 5462CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 1mx9 n THR 5463N -2.01 0.00 -3.70 0.58 -1.04 -1.26 -4.75 114.28 102.10 1mx9 n THR 5463Ca 0.02 -0.01 -0.37 0.00 -2.04 0.00 0.00 64.05 61.65 1mx9 n THR 5463Cb 0.18 -0.41 -0.11 0.00 -1.82 0.00 0.00 70.33 68.17 1mx9 n THR 5463CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1mx9 s VAL 5464N -2.00 5.03 0.05 12.58 1.01 -1.16 -5.07 120.40 130.84 1mx9 s VAL 5464Ca 0.44 0.07 0.05 0.00 0.00 0.00 0.00 61.98 62.53 1mx9 s VAL 5464Cb 0.20 -3.36 -0.02 0.00 0.00 0.00 0.00 36.38 33.20 1mx9 s VAL 5464CO 0.34 0.32 -0.14 -0.63 0.00 0.00 0.00 175.10 174.99 1mx9 s ILE 5465N 1.35 1.12 -1.51 2.22 1.09 -1.26 -4.72 121.20 119.49 1mx9 s ILE 5465Ca 0.06 -1.08 -0.03 0.00 -1.10 0.00 0.00 60.65 58.50 1mx9 s ILE 5465Cb -0.15 -1.03 0.01 0.00 -1.06 0.00 0.00 42.46 40.24 1mx9 s ILE 5465CO 0.06 -0.05 0.34 0.61 -0.10 0.00 0.00 174.94 175.80 1mx9 n GLY 5466N 1.75 -0.51 3.37 6.18 0.00 -0.09 -3.05 105.19 112.84 1mx9 n GLY 5466Ca -0.19 0.07 -0.30 0.00 0.00 0.00 0.00 46.02 45.61 1mx9 n GLY 5466CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1mx9 s ASP 5467N -2.43 -0.39 0.17 1.61 -1.08 -1.25 -0.83 116.67 112.47 1mx9 s ASP 5467Ca 0.19 1.07 -0.31 0.00 -0.52 0.00 0.00 52.55 52.98 1mx9 s ASP 5467Cb -0.09 -1.58 -0.09 0.00 -1.46 0.00 0.00 42.92 39.70 1mx9 s ASP 5467CO 0.24 -4.98 1.48 -2.28 0.52 0.00 0.00 175.17 170.15 1mx9 s HIS 5468N -2.35 3.11 0.00 -5.34 5.04 -1.15 -2.40 115.29 112.20 1mx9 s HIS 5468Ca 0.69 0.82 0.00 0.00 -1.54 0.00 0.00 55.06 55.03 1mx9 s HIS 5468Cb -0.17 -3.83 0.00 0.00 0.04 0.00 0.00 32.58 28.62 1mx9 s HIS 5468CO 0.60 -2.93 0.00 0.41 -2.34 0.00 0.00 174.74 170.49 1mx9 n GLY 5469N 3.28 2.75 0.33 1.59 0.00 -1.26 -4.86 105.19 107.02 1mx9 n GLY 5469Ca 0.11 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.32 1mx9 n GLY 5469CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1mx9 h ASP 5470N 0.00 0.00 1.33 1.61 3.32 -1.80 0.73 116.42 121.61 1mx9 h ASP 5470Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1mx9 h ASP 5470Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1mx9 h ASP 5470CO 0.00 0.00 -0.18 1.05 -1.72 0.00 0.00 179.24 178.39 1mx9 h GLU 5471N 0.00 0.00 -0.71 3.56 9.09 -1.90 -3.33 114.58 121.29 1mx9 h GLU 5471Ca 0.00 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.41 1mx9 h GLU 5471Cb 0.31 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.38 1mx9 h GLU 5471CO 0.00 0.00 0.43 -0.07 0.05 0.00 0.00 179.01 179.42 1mx9 h LEU 5472N 0.00 0.85 -1.75 3.06 3.38 -1.25 -2.05 115.31 117.55 1mx9 h LEU 5472Ca 0.00 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 1mx9 h LEU 5472Cb 0.76 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 1mx9 h LEU 5472CO 0.00 0.66 0.13 -0.26 0.09 0.00 0.00 178.44 179.06 1mx9 h PHE 5473N 0.97 0.28 0.00 1.13 -1.00 -1.73 -2.16 116.94 114.42 1mx9 h PHE 5473Ca 0.25 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 61.02 1mx9 h PHE 5473Cb -0.03 -0.09 0.00 0.00 3.61 0.00 0.00 35.95 39.44 1mx9 h PHE 5473CO -0.01 0.19 -0.06 0.77 -1.61 0.00 0.00 178.31 177.59 1mx9 h SER 5474N 0.30 0.05 -0.42 2.17 0.02 -1.68 0.69 113.55 114.68 1mx9 h SER 5474Ca 0.08 -0.80 0.04 0.00 -0.84 0.00 0.00 61.79 60.27 1mx9 h SER 5474Cb -0.00 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.50 1mx9 h SER 5474CO -0.01 0.85 0.28 0.58 -1.14 0.00 0.00 176.83 177.38 1mx9 h VAL 5475N -0.74 0.99 -0.48 2.27 2.07 -1.17 -2.18 116.25 117.02 1mx9 h VAL 5475Ca -0.01 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.38 1mx9 h VAL 5475Cb 0.86 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 1mx9 h VAL 5475CO 0.01 0.07 0.00 0.49 0.02 0.00 0.00 177.57 178.16 1mx9 n PHE 5476N -4.48 1.40 -3.65 1.57 3.01 -0.83 -4.72 117.46 109.76 1mx9 n PHE 5476Ca 0.05 -0.72 -0.24 0.00 1.01 0.00 0.00 57.45 57.55 1mx9 n PHE 5476Cb 0.20 -0.33 0.06 0.00 -0.01 0.00 0.00 39.48 39.41 1mx9 n PHE 5476CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1mx9 n GLY 5477N 0.40 -0.48 0.36 1.37 0.00 -0.82 -4.49 105.19 101.54 1mx9 n GLY 5477Ca 0.24 0.20 0.18 0.00 0.00 0.00 0.00 46.02 46.64 1mx9 n GLY 5477CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mx9 h ALA 5478N 0.97 2.39 0.00 4.61 0.00 0.16 -1.00 119.26 126.39 1mx9 h ALA 5478Ca -0.58 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1mx9 h ALA 5478Cb 1.36 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1mx9 h ALA 5478CO 0.58 -0.55 0.00 -2.30 0.00 0.00 0.00 179.25 176.97 1mx9 n PRO 5479N -4.34 0.07 0.00 0.00 -0.02 -1.26 -1.18 135.00 128.27 1mx9 n PRO 5479Ca 0.08 0.30 0.08 0.00 -2.02 0.00 0.00 63.50 61.94 1mx9 n PRO 5479Cb 0.53 -1.63 -0.02 0.00 -0.02 0.00 0.00 33.50 32.35 1mx9 n PRO 5479CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1mx9 n PHE 5480N -1.77 0.00 -0.02 6.00 3.01 -0.38 -4.51 117.46 119.79 1mx9 n PHE 5480Ca 0.03 0.00 -0.01 0.00 1.01 0.00 0.00 57.45 58.48 1mx9 n PHE 5480Cb 0.20 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.64 1mx9 n PHE 5480CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1mx9 n LEU 5481N -0.43 0.00 -4.98 4.37 4.77 -1.13 -5.01 117.00 114.59 1mx9 n LEU 5481Ca 0.06 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.84 1mx9 n LEU 5481Cb 0.32 0.08 -0.01 0.00 -2.33 0.00 0.00 43.42 41.48 1mx9 n LEU 5481CO 0.24 0.08 0.05 -0.54 -1.33 0.00 0.00 177.39 175.88 1mx9 s LYS 5482N -2.08 3.21 0.73 3.23 1.02 -0.32 -4.11 119.74 121.41 1mx9 s LYS 5482Ca -0.02 -0.89 -0.02 0.00 0.02 0.00 0.00 55.97 55.07 1mx9 s LYS 5482Cb 0.01 -2.82 0.13 0.00 -0.52 0.00 0.00 37.83 34.63 1mx9 s LYS 5482CO 0.13 0.14 1.01 -1.21 -0.92 0.00 0.00 175.35 174.50 1mx9 s GLU 5483N -4.16 1.64 -1.48 1.68 2.02 -1.26 -4.46 118.70 112.68 1mx9 s GLU 5483Ca 0.42 -1.05 0.00 0.00 0.02 0.00 0.00 54.97 54.36 1mx9 s GLU 5483Cb -0.09 -2.30 0.00 0.00 0.10 0.00 0.00 34.13 31.83 1mx9 s GLU 5483CO 0.31 -1.49 0.00 0.41 0.02 0.00 0.00 175.26 174.51 1mx9 n GLY 5484N -2.88 0.18 3.64 -1.39 0.00 -1.26 -4.92 105.19 98.56 1mx9 n GLY 5484Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 1mx9 n GLY 5484CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mx9 s ALA 5485N -2.65 3.52 1.29 4.61 0.00 -1.26 -5.02 121.76 122.25 1mx9 s ALA 5485Ca 0.00 0.13 -0.20 0.00 0.00 0.00 0.00 51.96 51.88 1mx9 s ALA 5485Cb 0.00 -3.67 0.32 0.00 0.00 0.00 0.00 23.12 19.77 1mx9 s ALA 5485CO 0.00 -1.43 1.03 -1.54 0.00 0.00 0.00 175.76 173.81 1mx9 s SER 5486N 1.96 0.07 0.01 0.00 1.04 -1.26 -4.84 113.70 110.67 1mx9 s SER 5486Ca 0.50 0.78 0.06 0.00 0.48 0.00 0.00 55.95 57.77 1mx9 s SER 5486Cb -0.16 -1.11 -0.24 0.00 0.10 0.00 0.00 66.02 64.62 1mx9 s SER 5486CO 0.16 -4.66 0.85 -0.08 0.98 0.00 0.00 173.24 170.49 1mx9 h GLU 5487N -2.94 0.07 -0.07 4.02 4.57 -1.98 -2.53 114.58 115.71 1mx9 h GLU 5487Ca -0.45 -0.12 -0.08 0.00 -1.18 0.00 0.00 59.36 57.52 1mx9 h GLU 5487Cb 1.32 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.94 1mx9 h GLU 5487CO 0.33 0.81 -0.34 1.49 -1.18 0.00 0.00 179.01 180.12 1mx9 h GLU 5488N 0.02 0.13 0.19 1.92 4.81 -1.99 -0.87 114.58 118.79 1mx9 h GLU 5488Ca -0.21 -0.05 -0.30 0.00 -0.13 0.00 0.00 59.36 58.66 1mx9 h GLU 5488Cb 1.95 -0.01 0.03 0.00 0.63 0.00 0.00 28.75 31.36 1mx9 h GLU 5488CO 0.11 0.46 -1.30 1.49 -0.73 0.00 0.00 179.01 179.05 1mx9 h GLU 5489N 0.12 0.55 -0.58 1.92 4.81 -1.94 -2.84 114.58 116.62 1mx9 h GLU 5489Ca 0.01 -0.84 -0.07 0.00 -0.13 0.00 0.00 59.36 58.34 1mx9 h GLU 5489Cb 0.66 0.30 -0.02 0.00 0.63 0.00 0.00 28.75 30.32 1mx9 h GLU 5489CO 0.05 1.39 0.10 0.82 -0.73 0.00 0.00 179.01 180.64 1mx9 h ILE 5490N 0.13 1.26 0.01 2.32 2.04 -1.31 -0.51 117.51 121.43 1mx9 h ILE 5490Ca -0.22 -0.97 0.01 0.00 1.00 0.00 0.00 64.86 64.69 1mx9 h ILE 5490Cb 2.00 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 38.83 1mx9 h ILE 5490CO 0.25 0.35 -0.06 0.03 0.00 0.00 0.00 178.15 178.72 1mx9 h ARG 5491N 0.85 -0.10 0.13 2.37 3.08 -1.24 -1.96 114.38 117.50 1mx9 h ARG 5491Ca 0.18 0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.25 1mx9 h ARG 5491Cb 0.41 0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.44 1mx9 h ARG 5491CO 0.01 -0.07 -0.41 1.25 -1.07 0.00 0.00 179.97 179.68 1mx9 h LEU 5492N -0.11 -1.20 -0.84 3.04 5.85 -1.23 -1.96 115.31 118.86 1mx9 h LEU 5492Ca 0.02 0.13 0.13 0.00 0.84 0.00 0.00 57.88 59.01 1mx9 h LEU 5492Cb 0.13 0.45 -0.09 0.00 0.37 0.00 0.00 40.66 41.52 1mx9 h LEU 5492CO -0.06 -0.48 0.45 -1.28 -0.34 0.00 0.00 178.44 176.73 1mx9 h SER 5493N -0.65 0.58 0.27 1.25 0.87 -1.01 0.17 113.55 115.04 1mx9 h SER 5493Ca 0.02 0.08 -0.05 0.00 -1.23 0.00 0.00 61.79 60.61 1mx9 h SER 5493Cb 0.67 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.60 1mx9 h SER 5493CO -0.23 0.27 -0.25 0.50 -0.53 0.00 0.00 176.83 176.59 1mx9 h LYS 5494N 0.68 0.00 -0.01 2.24 3.64 -0.96 -1.72 116.57 120.44 1mx9 h LYS 5494Ca 0.44 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.73 1mx9 h LYS 5494Cb 0.57 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.40 1mx9 h LYS 5494CO -0.33 0.25 -0.35 1.98 -2.27 0.00 0.00 179.45 178.73 1mx9 h MET 5495N 0.00 0.25 -0.54 1.90 4.05 -0.24 -3.03 114.93 117.32 1mx9 h MET 5495Ca -0.00 -0.26 -0.03 0.00 -0.28 0.00 0.00 59.70 59.12 1mx9 h MET 5495Cb 0.46 0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 31.31 1mx9 h MET 5495CO 0.03 0.97 0.20 0.28 0.23 0.00 0.00 176.91 178.63 1mx9 h VAL 5496N -0.37 1.22 0.31 -5.77 2.07 -1.23 0.37 116.25 112.86 1mx9 h VAL 5496Ca -0.04 -0.70 0.00 0.00 0.82 0.00 0.00 66.70 66.77 1mx9 h VAL 5496Cb 1.09 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 1mx9 h VAL 5496CO 0.07 0.27 -0.34 0.24 0.02 0.00 0.00 177.57 177.82 1mx9 h MET 5497N 0.73 -0.67 -0.40 1.57 2.07 -1.41 0.46 114.93 117.28 1mx9 h MET 5497Ca 0.18 0.05 0.02 0.00 -2.07 0.00 0.00 59.70 57.87 1mx9 h MET 5497Cb 0.22 0.15 -0.03 0.00 -1.87 0.00 0.00 31.60 30.07 1mx9 h MET 5497CO -0.01 -0.45 0.24 -0.22 1.07 0.00 0.00 176.91 177.54 1mx9 h LYS 5498N -0.70 0.47 -0.11 1.72 3.64 -1.49 0.43 116.57 120.53 1mx9 h LYS 5498Ca -0.01 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.37 1mx9 h LYS 5498Cb 0.64 -0.11 -0.06 0.00 -0.41 0.00 0.00 32.23 32.29 1mx9 h LYS 5498CO -0.08 0.31 -0.51 0.74 -2.27 0.00 0.00 179.45 177.64 1mx9 h PHE 5499N 0.48 -1.51 -0.28 1.91 0.05 -0.40 0.19 116.94 117.39 1mx9 h PHE 5499Ca 0.16 0.06 0.06 0.00 3.82 0.00 0.00 57.97 62.06 1mx9 h PHE 5499Cb 0.00 0.67 -0.05 0.00 2.00 0.00 0.00 35.95 38.57 1mx9 h PHE 5499CO -0.07 -0.54 -0.08 -1.49 -0.18 0.00 0.00 178.31 175.96 1mx9 h TRP 5500N -0.58 -0.16 -0.02 -0.55 -0.00 0.29 -2.62 115.95 112.31 1mx9 h TRP 5500Ca 0.04 0.03 -0.03 0.00 -0.00 0.00 0.00 58.89 58.92 1mx9 h TRP 5500Cb 0.68 0.11 -0.01 0.00 -0.00 0.00 0.00 29.16 29.95 1mx9 h TRP 5500CO -0.55 -0.13 -0.14 0.00 -0.00 0.00 0.00 178.44 177.62 1mx9 h ALA 5501N 1.26 1.73 0.00 1.49 0.00 -0.34 -0.82 119.26 122.58 1mx9 h ALA 5501Ca 0.13 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 1mx9 h ALA 5501Cb 0.21 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1mx9 h ALA 5501CO -0.29 0.20 -0.53 -0.91 0.00 0.00 0.00 179.25 177.72 1mx9 h ASN 5502N 0.02 0.00 -0.03 0.00 2.35 -0.28 -2.88 115.58 114.76 1mx9 h ASN 5502Ca 0.00 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.71 1mx9 h ASN 5502Cb 0.27 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.64 1mx9 h ASN 5502CO 0.02 0.53 -0.14 0.15 -1.65 0.00 0.00 177.43 176.34 1mx9 h PHE 5503N 0.00 0.21 -1.02 1.19 3.57 -1.09 -1.32 116.94 118.48 1mx9 h PHE 5503Ca -0.01 -0.09 0.30 0.00 3.53 0.00 0.00 57.97 61.70 1mx9 h PHE 5503Cb 0.98 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 39.65 1mx9 h PHE 5503CO 0.00 0.78 0.87 0.00 -2.23 0.00 0.00 178.31 177.73 1mx9 h ALA 5504N 0.39 2.89 0.00 2.41 0.00 -0.97 0.30 119.26 124.27 1mx9 h ALA 5504Ca -0.01 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 1mx9 h ALA 5504Cb 0.79 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 1mx9 h ALA 5504CO 0.03 -1.40 -1.55 2.89 0.00 0.00 0.00 179.25 179.22 1mx9 n ARG 5505N -3.83 1.86 0.00 0.00 1.85 -1.15 -4.72 116.66 110.67 1mx9 n ARG 5505Ca 0.22 -0.03 0.02 0.00 -1.00 0.00 0.00 57.85 57.06 1mx9 n ARG 5505Cb 1.21 -1.23 -0.01 0.00 -1.05 0.00 0.00 32.46 31.39 1mx9 n ARG 5505CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 1mx9 n ASN 5506N -2.17 0.71 -1.50 2.89 3.02 -0.50 -4.98 115.26 112.72 1mx9 n ASN 5506Ca -0.10 -0.86 -0.14 0.00 -0.03 0.00 0.00 54.58 53.46 1mx9 n ASN 5506Cb 0.62 0.58 -0.01 0.00 -0.61 0.00 0.00 39.78 40.36 1mx9 n ASN 5506CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1mx9 n GLY 5507N 0.75 -0.05 3.35 7.41 0.00 0.10 -4.97 105.19 111.78 1mx9 n GLY 5507Ca 0.02 -0.32 -0.03 0.00 0.00 0.00 0.00 46.02 45.68 1mx9 n GLY 5507CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1mx9 s ASN 5508N -2.43 -0.80 0.34 1.61 3.84 -1.26 -4.93 114.94 111.32 1mx9 s ASN 5508Ca 0.00 1.11 0.26 0.00 0.21 0.00 0.00 52.86 54.44 1mx9 s ASN 5508Cb 0.00 1.88 1.17 0.00 -0.55 0.00 0.00 41.25 43.75 1mx9 s ASN 5508CO 0.00 -0.24 1.78 1.55 -2.79 0.00 0.00 177.10 177.40 1mx9 h PRO 5509N 8.07 0.00 -7.18 0.43 0.13 -1.80 -3.17 132.00 128.48 1mx9 h PRO 5509Ca -0.19 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.40 1mx9 h PRO 5509Cb 1.12 0.00 0.17 0.00 0.13 0.00 0.00 31.00 32.42 1mx9 h PRO 5509CO 0.16 0.00 0.39 -0.80 -0.23 0.00 0.00 178.00 177.52 1mx9 s ASN 5510N -4.46 3.93 0.00 1.44 0.01 -1.26 -4.62 114.94 109.97 1mx9 s ASN 5510Ca 0.02 2.42 0.00 0.00 -0.71 0.00 0.00 52.86 54.59 1mx9 s ASN 5510Cb 0.09 -2.59 0.00 0.00 0.41 0.00 0.00 41.25 39.15 1mx9 s ASN 5510CO 0.37 -2.44 0.00 0.61 -1.51 0.00 0.00 177.10 174.12 1mx9 n GLY 5511N 0.55 1.66 3.65 0.66 0.00 -1.26 -4.90 105.19 105.55 1mx9 n GLY 5511Ca 0.14 -0.66 -0.31 0.00 0.00 0.00 0.00 46.02 45.19 1mx9 n GLY 5511CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1mx9 s GLU 5512N -2.00 0.77 0.00 1.61 4.04 -1.26 -2.89 118.70 118.97 1mx9 s GLU 5512Ca 0.00 1.49 0.00 0.00 0.04 0.00 0.00 54.97 56.50 1mx9 s GLU 5512Cb 0.00 -1.70 0.00 0.00 0.02 0.00 0.00 34.13 32.45 1mx9 s GLU 5512CO 0.00 -2.78 0.00 0.41 -1.84 0.00 0.00 175.26 171.05 1mx9 n GLY 5513N 0.32 0.45 3.15 -3.83 0.00 -1.26 -4.96 105.19 99.05 1mx9 n GLY 5513Ca 0.11 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.88 1mx9 n GLY 5513CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1mx9 s LEU 5514N 0.00 1.97 0.93 0.99 1.43 -1.14 -5.10 118.68 117.76 1mx9 s LEU 5514Ca 0.00 -0.33 -0.12 0.00 -1.03 0.00 0.00 54.13 52.65 1mx9 s LEU 5514Cb 0.00 -0.93 0.07 0.00 0.03 0.00 0.00 46.19 45.36 1mx9 s LEU 5514CO 0.00 0.18 0.66 -0.81 0.23 0.00 0.00 176.35 176.61 1mx9 n PRO 5515N 2.91 -0.33 -2.50 1.29 -0.04 -1.26 -4.73 135.00 130.35 1mx9 n PRO 5515Ca -0.16 -0.04 -0.39 0.00 -0.04 0.00 0.00 63.50 62.86 1mx9 n PRO 5515Cb 0.53 -2.03 -0.04 0.00 -0.04 0.00 0.00 33.50 31.92 1mx9 n PRO 5515CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1mx9 s HIS 5516N -2.46 3.48 -0.29 0.54 2.46 -1.26 -4.87 115.29 112.90 1mx9 s HIS 5516Ca 0.60 1.69 0.01 0.00 0.47 0.00 0.00 55.06 57.83 1mx9 s HIS 5516Cb -0.22 -3.23 0.09 0.00 -0.13 0.00 0.00 32.58 29.08 1mx9 s HIS 5516CO 0.64 -0.56 0.03 -0.46 -2.47 0.00 0.00 174.74 171.92 1mx9 s TRP 5517N -1.32 2.51 0.18 3.88 -0.11 -1.26 -4.18 118.94 118.64 1mx9 s TRP 5517Ca 0.49 -2.08 -0.30 0.00 1.22 0.00 0.00 56.10 55.42 1mx9 s TRP 5517Cb -0.29 -2.00 -0.08 0.00 -1.50 0.00 0.00 33.47 29.60 1mx9 s TRP 5517CO 0.37 -0.86 1.15 -1.25 -4.62 0.00 0.00 176.95 171.74 1mx9 s PRO 5518N 1.34 4.54 0.75 5.86 0.04 -1.26 -4.83 135.00 141.45 1mx9 s PRO 5518Ca 0.05 1.79 -0.15 0.00 0.04 0.00 0.00 61.00 62.73 1mx9 s PRO 5518Cb -0.18 -3.26 0.00 0.00 0.04 0.00 0.00 34.50 31.10 1mx9 s PRO 5518CO -0.13 -0.01 0.82 -1.91 0.04 0.00 0.00 177.00 175.81 1mx9 n GLU 5519N 2.43 0.34 -2.87 4.56 2.13 -1.26 -4.30 120.64 121.68 1mx9 n GLU 5519Ca 0.03 0.17 -0.44 0.00 0.66 0.00 0.00 57.16 57.59 1mx9 n GLU 5519Cb 0.45 -2.10 -0.01 0.00 0.27 0.00 0.00 31.44 30.06 1mx9 n GLU 5519CO 0.00 0.00 0.00 -0.47 -0.41 0.00 0.00 177.13 176.25 1mx9 s TYR 5520N -1.93 3.26 0.00 4.31 5.04 0.84 -3.88 117.35 124.98 1mx9 s TYR 5520Ca 0.70 -1.82 0.00 0.00 -2.44 0.00 0.00 57.07 53.50 1mx9 s TYR 5520Cb -0.33 -4.39 0.00 0.00 0.35 0.00 0.00 41.96 37.59 1mx9 s TYR 5520CO 0.54 -1.51 0.00 0.27 -1.34 0.00 0.00 175.55 173.51 1mx9 n ASN 5521N 6.43 0.25 -0.33 4.32 0.23 -1.26 -4.61 115.26 120.29 1mx9 n ASN 5521Ca 0.35 -0.68 0.03 0.00 -0.53 0.00 0.00 54.58 53.76 1mx9 n ASN 5521Cb 0.45 0.00 0.21 0.00 -2.08 0.00 0.00 39.78 38.37 1mx9 n ASN 5521CO 0.00 0.00 0.00 1.56 -0.93 0.00 0.00 177.26 177.89 1mx9 h GLN 5522N 0.00 1.06 -0.01 -3.83 1.08 -1.99 0.51 115.11 111.93 1mx9 h GLN 5522Ca 0.00 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.14 1mx9 h GLN 5522Cb 0.00 -0.24 -0.00 0.00 -0.05 0.00 0.00 27.48 27.19 1mx9 h GLN 5522CO 0.00 0.70 0.13 0.87 -0.95 0.00 0.00 178.83 179.58 1mx9 h LYS 5523N 1.09 0.00 -5.24 1.46 1.57 -1.94 -3.46 116.57 110.05 1mx9 h LYS 5523Ca 0.41 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.89 1mx9 h LYS 5523Cb 0.18 0.00 0.15 0.00 0.08 0.00 0.00 32.23 32.64 1mx9 h LYS 5523CO -0.16 0.00 -0.68 0.39 -0.57 0.00 0.00 179.45 178.43 1mx9 n GLU 5524N -3.09 -5.95 -2.81 3.15 1.02 0.18 -4.62 120.64 108.52 1mx9 n GLU 5524Ca -0.02 0.75 -0.37 0.00 -0.02 0.00 0.00 57.16 57.50 1mx9 n GLU 5524Cb 0.19 -5.49 -0.06 0.00 -0.02 0.00 0.00 31.44 26.06 1mx9 n GLU 5524CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1mx9 s GLY 5525N -4.16 2.83 0.00 0.62 0.00 -1.25 -3.20 107.32 102.16 1mx9 s GLY 5525Ca 0.02 0.50 -0.09 0.00 0.00 0.00 0.00 44.72 45.15 1mx9 s GLY 5525CO 0.65 0.96 0.18 -2.52 0.00 0.00 0.00 173.10 172.37 1mx9 s TYR 5526N -1.54 -0.01 -0.02 1.90 -0.85 -0.22 -3.96 117.35 112.65 1mx9 s TYR 5526Ca 0.48 -0.05 -0.23 0.00 -0.52 0.00 0.00 57.07 56.74 1mx9 s TYR 5526Cb -0.20 -0.01 -0.05 0.00 0.38 0.00 0.00 41.96 42.09 1mx9 s TYR 5526CO 0.25 -0.33 0.70 -1.17 -1.52 0.00 0.00 175.55 173.48 1mx9 s LEU 5527N -1.44 4.38 -1.09 -3.49 2.96 0.76 0.01 118.68 120.77 1mx9 s LEU 5527Ca -0.14 1.26 -0.08 0.00 -0.22 0.00 0.00 54.13 54.96 1mx9 s LEU 5527Cb -0.06 -3.09 0.28 0.00 0.50 0.00 0.00 46.19 43.81 1mx9 s LEU 5527CO 0.02 -0.03 1.12 1.67 -1.32 0.00 0.00 176.35 177.81 1mx9 n GLN 5528N 3.26 3.56 -2.60 1.98 7.27 -0.34 -1.66 117.38 128.85 1mx9 n GLN 5528Ca -0.03 -4.47 -0.41 0.00 0.07 0.00 0.00 57.00 52.16 1mx9 n GLN 5528Cb 0.51 -2.53 -0.04 0.00 2.41 0.00 0.00 30.24 30.59 1mx9 n GLN 5528CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 1mx9 s ILE 5529N -1.48 4.07 -0.26 1.69 1.01 -1.05 -2.88 121.20 122.29 1mx9 s ILE 5529Ca 0.31 1.79 0.00 0.00 0.00 0.00 0.00 60.65 62.75 1mx9 s ILE 5529Cb -0.08 -4.14 0.00 0.00 0.01 0.00 0.00 42.46 38.25 1mx9 s ILE 5529CO -0.06 0.31 0.00 0.61 0.00 0.00 0.00 174.94 175.80 1mx9 n GLY 5530N 2.05 -0.90 0.14 6.18 0.00 -1.26 -0.93 105.19 110.48 1mx9 n GLY 5530Ca 0.02 -0.11 -0.14 0.00 0.00 0.00 0.00 46.02 45.79 1mx9 n GLY 5530CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mx9 h ALA 5531N 0.00 -0.27 -3.15 4.61 0.00 -1.93 -3.34 119.26 115.18 1mx9 h ALA 5531Ca 0.00 -0.09 -0.70 0.00 0.00 0.00 0.00 54.91 54.12 1mx9 h ALA 5531Cb 0.00 0.11 -0.35 0.00 0.00 0.00 0.00 17.79 17.55 1mx9 h ALA 5531CO 0.00 -0.62 -0.42 -0.80 0.00 0.00 0.00 179.25 177.41 1mx9 s ASN 5532N -5.02 5.25 -0.27 0.00 -0.87 -1.26 -5.03 114.94 107.75 1mx9 s ASN 5532Ca -0.15 -2.58 -0.29 0.00 -1.57 0.00 0.00 52.86 48.27 1mx9 s ASN 5532Cb 0.05 -1.85 0.01 0.00 -0.02 0.00 0.00 41.25 39.43 1mx9 s ASN 5532CO 0.64 -0.43 1.14 -0.89 -2.57 0.00 0.00 177.10 174.99 1mx9 s THR 5533N 0.34 4.44 0.07 1.60 2.01 -1.26 -4.87 115.64 117.97 1mx9 s THR 5533Ca 0.14 1.69 -0.18 0.00 0.31 0.00 0.00 61.69 63.65 1mx9 s THR 5533Cb -0.21 -4.27 0.04 0.00 0.01 0.00 0.00 72.50 68.07 1mx9 s THR 5533CO -0.04 -0.34 0.43 0.00 -0.69 0.00 0.00 174.62 173.98 1mx9 s GLN 5534N 3.61 0.98 0.69 4.92 0.00 -1.14 -4.88 119.66 123.85 1mx9 s GLN 5534Ca 0.49 -0.43 -0.14 0.00 -0.00 0.00 0.00 55.36 55.27 1mx9 s GLN 5534Cb -0.15 0.44 0.02 0.00 0.00 0.00 0.00 33.01 33.31 1mx9 s GLN 5534CO 0.14 -0.35 1.13 0.00 0.00 0.00 0.00 175.29 176.21 1mx9 s ALA 5535N -2.82 2.34 0.16 2.60 0.00 -1.26 -1.20 121.76 121.58 1mx9 s ALA 5535Ca -0.03 0.60 0.02 0.00 0.00 0.00 0.00 51.96 52.55 1mx9 s ALA 5535Cb -0.00 -3.35 -0.01 0.00 0.00 0.00 0.00 23.12 19.76 1mx9 s ALA 5535CO -0.05 -1.50 0.17 0.00 0.00 0.00 0.00 175.76 174.38 1mx9 n ALA 5536N -2.63 0.13 -2.00 0.00 0.00 0.10 -4.78 120.51 111.33 1mx9 n ALA 5536Ca 0.11 -0.84 0.00 0.00 0.00 0.00 0.00 53.44 52.71 1mx9 n ALA 5536Cb 0.52 0.68 0.00 0.00 0.00 0.00 0.00 19.45 20.65 1mx9 n ALA 5536CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1mx9 n GLN 5537N -0.28 0.00 -2.30 0.00 6.02 -1.26 -1.06 117.38 118.50 1mx9 n GLN 5537Ca 0.02 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.58 1mx9 n GLN 5537Cb 0.28 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.51 1mx9 n GLN 5537CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1mx9 s LYS 5538N 1.00 4.07 -0.24 -1.09 1.02 -1.19 -3.80 119.74 119.50 1mx9 s LYS 5538Ca 0.00 1.64 -0.09 0.00 0.02 0.00 0.00 55.97 57.54 1mx9 s LYS 5538Cb 0.00 -3.88 -0.04 0.00 -0.52 0.00 0.00 37.83 33.39 1mx9 s LYS 5538CO 0.00 -0.94 0.13 -1.17 -0.92 0.00 0.00 175.35 172.45 1mx9 s LEU 5539N 4.11 3.83 -1.30 3.17 2.96 -1.26 -4.46 118.68 125.73 1mx9 s LEU 5539Ca 0.61 -0.02 -0.08 0.00 -0.22 0.00 0.00 54.13 54.42 1mx9 s LEU 5539Cb -0.23 -2.03 0.06 0.00 0.50 0.00 0.00 46.19 44.49 1mx9 s LEU 5539CO 0.22 0.02 0.47 0.29 -1.32 0.00 0.00 176.35 176.03 1mx9 n LYS 5540N 4.57 -3.53 -0.20 1.98 4.76 -1.26 -4.85 118.16 119.63 1mx9 n LYS 5540Ca -0.15 0.54 -0.09 0.00 -2.87 0.00 0.00 58.31 55.74 1mx9 n LYS 5540Cb 0.52 -5.26 0.02 0.00 -1.84 0.00 0.00 35.03 28.46 1mx9 n LYS 5540CO 0.00 0.00 0.00 0.22 -1.37 0.00 0.00 177.40 176.25 1mx9 h ASP 5541N -0.96 0.96 -0.25 4.39 1.82 -1.99 -1.16 116.42 119.22 1mx9 h ASP 5541Ca -0.43 -0.29 -0.10 0.00 -0.39 0.00 0.00 57.03 55.82 1mx9 h ASP 5541Cb 1.29 -0.26 -0.00 0.00 0.68 0.00 0.00 39.33 41.04 1mx9 h ASP 5541CO 0.52 1.02 -0.22 0.11 -1.61 0.00 0.00 179.24 179.05 1mx9 h LYS 5542N 0.88 0.60 -0.59 0.28 1.57 -1.95 -2.76 116.57 114.60 1mx9 h LYS 5542Ca 0.17 -0.31 -0.02 0.00 -1.87 0.00 0.00 60.65 58.62 1mx9 h LYS 5542Cb 0.50 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.79 1mx9 h LYS 5542CO 0.02 0.90 0.30 0.93 -0.57 0.00 0.00 179.45 181.03 1mx9 h GLU 5543N 0.32 0.84 -0.22 3.15 3.07 -1.94 0.12 114.58 119.93 1mx9 h GLU 5543Ca 0.04 -0.11 0.03 0.00 -0.50 0.00 0.00 59.36 58.82 1mx9 h GLU 5543Cb 0.78 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 28.52 1mx9 h GLU 5543CO 0.06 0.67 0.15 0.28 -1.40 0.00 0.00 179.01 178.76 1mx9 h VAL 5544N 0.80 0.99 0.11 3.13 2.07 -1.19 -0.35 116.25 121.82 1mx9 h VAL 5544Ca 0.21 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.66 1mx9 h VAL 5544Cb 0.09 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 1mx9 h VAL 5544CO -0.03 0.03 -0.06 0.00 0.02 0.00 0.00 177.57 177.54 1mx9 h ALA 5545N 1.88 -0.15 -0.95 1.67 0.00 -0.99 -2.23 119.26 118.49 1mx9 h ALA 5545Ca 0.09 -0.20 0.16 0.00 0.00 0.00 0.00 54.91 54.96 1mx9 h ALA 5545Cb 0.14 0.06 -0.10 0.00 0.00 0.00 0.00 17.79 17.89 1mx9 h ALA 5545CO -0.02 -0.18 0.55 0.35 0.00 0.00 0.00 179.25 179.95 1mx9 h PHE 5546N -0.96 0.98 0.00 0.00 3.57 -0.47 -1.15 116.94 118.91 1mx9 h PHE 5546Ca -0.02 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.49 1mx9 h PHE 5546Cb 0.45 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 38.90 1mx9 h PHE 5546CO 0.09 0.26 -0.10 -1.49 -2.23 0.00 0.00 178.31 174.83 1mx9 h TRP 5547N 0.76 0.10 -0.04 0.41 4.06 -1.18 -1.34 115.95 118.72 1mx9 h TRP 5547Ca 0.52 -0.06 0.01 0.00 2.06 0.00 0.00 58.89 61.43 1mx9 h TRP 5547Cb 0.73 -0.01 -0.00 0.00 -1.00 0.00 0.00 29.16 28.88 1mx9 h TRP 5547CO -0.04 0.89 0.03 1.15 -3.56 0.00 0.00 178.44 176.92 1mx9 h THR 5548N -0.73 0.93 0.04 1.49 2.02 -1.27 0.46 112.91 115.85 1mx9 h THR 5548Ca -0.01 0.00 -0.25 0.00 0.77 0.00 0.00 66.41 66.92 1mx9 h THR 5548Cb 0.92 0.98 0.01 0.00 -1.74 0.00 0.00 68.15 68.32 1mx9 h THR 5548CO 0.02 0.00 -1.05 -1.13 0.37 0.00 0.00 175.52 173.73 1mx9 h ASN 5549N 0.00 0.59 -0.04 4.18 -1.24 -1.25 -3.28 115.58 114.55 1mx9 h ASN 5549Ca 0.02 -0.51 -0.24 0.00 0.71 0.00 0.00 56.30 56.28 1mx9 h ASN 5549Cb 0.08 -0.18 0.02 0.00 0.73 0.00 0.00 38.32 38.96 1mx9 h ASN 5549CO -0.00 1.33 -0.90 0.25 -1.29 0.00 0.00 177.43 176.82 1mx9 h LEU 5550N 0.22 0.86 0.00 0.34 6.46 -0.09 -2.78 115.31 120.31 1mx9 h LEU 5550Ca -0.11 -0.71 0.00 0.00 -0.12 0.00 0.00 57.88 56.94 1mx9 h LEU 5550Cb 1.71 -0.26 0.00 0.00 -0.73 0.00 0.00 40.66 41.38 1mx9 h LEU 5550CO 0.19 1.45 0.00 0.49 -0.62 0.00 0.00 178.44 179.95 1mx9 n PHE 5551N -3.94 0.00 0.17 1.25 0.99 0.04 -1.74 117.46 114.23 1mx9 n PHE 5551Ca -0.10 0.00 0.04 0.00 -0.00 0.00 0.00 57.45 57.39 1mx9 n PHE 5551Cb 0.81 0.00 0.26 0.00 -1.00 0.00 0.00 39.48 39.55 1mx9 n PHE 5551CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1mx9 h ALA 5552N 2.56 0.93 -0.02 4.37 0.00 -1.54 -3.51 119.26 122.05 1mx9 h ALA 5552Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1mx9 h ALA 5552Cb 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1mx9 h ALA 5552CO 0.00 0.56 0.00 1.63 0.00 0.00 0.00 179.25 181.44