#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mx1 n PRO 5023N 0.00 1.20 -2.47 4.33 -0.04 -1.26 -4.96 135.00 131.80 1mx1 n PRO 5023Ca 0.00 0.46 -0.41 0.00 -0.04 0.00 0.00 63.50 63.51 1mx1 n PRO 5023Cb 0.00 -2.52 -0.04 0.00 -0.04 0.00 0.00 33.50 30.91 1mx1 n PRO 5023CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1mx1 s PRO 5024N -3.25 4.55 -0.15 0.54 0.04 -1.26 -4.90 135.00 130.57 1mx1 s PRO 5024Ca 0.80 1.77 0.01 0.00 0.04 0.00 0.00 61.00 63.63 1mx1 s PRO 5024Cb -0.39 -3.27 0.02 0.00 0.04 0.00 0.00 34.50 30.90 1mx1 s PRO 5024CO 0.42 0.00 -0.18 0.08 0.04 0.00 0.00 177.00 177.36 1mx1 s VAL 5025N -0.09 1.85 -0.04 -0.36 1.01 -1.26 -1.53 120.40 119.98 1mx1 s VAL 5025Ca 0.51 -0.82 0.06 0.00 0.00 0.00 0.00 61.98 61.73 1mx1 s VAL 5025Cb -0.30 -1.67 -0.02 0.00 0.00 0.00 0.00 36.38 34.38 1mx1 s VAL 5025CO 0.35 0.51 -0.20 -0.69 0.00 0.00 0.00 175.10 175.06 1mx1 s VAL 5026N 1.18 2.53 -0.32 2.92 1.01 -0.32 -4.94 120.40 122.46 1mx1 s VAL 5026Ca 0.00 -0.93 -0.17 0.00 0.00 0.00 0.00 61.98 60.89 1mx1 s VAL 5026Cb -0.14 -1.94 -0.01 0.00 0.00 0.00 0.00 36.38 34.29 1mx1 s VAL 5026CO -0.08 0.58 0.47 -1.81 0.00 0.00 0.00 175.10 174.26 1mx1 s ASP 5027N -0.65 6.31 0.37 3.32 -0.00 -1.26 -0.83 116.67 123.92 1mx1 s ASP 5027Ca 0.10 0.10 0.08 0.00 -0.00 0.00 0.00 52.55 52.83 1mx1 s ASP 5027Cb -0.10 -2.25 -0.03 0.00 -0.00 0.00 0.00 42.92 40.54 1mx1 s ASP 5027CO -0.00 -0.37 0.29 0.42 -0.00 0.00 0.00 175.17 175.51 1mx1 s THR 5028N 2.27 3.03 0.29 -1.27 -4.23 -0.74 -4.87 115.64 110.12 1mx1 s THR 5028Ca 0.17 -1.43 0.03 0.00 -1.18 0.00 0.00 61.69 59.28 1mx1 s THR 5028Cb -0.16 -3.07 0.29 0.00 1.34 0.00 0.00 72.50 70.90 1mx1 s THR 5028CO 0.12 -0.10 1.69 0.58 -0.54 0.00 0.00 174.62 176.37 1mx1 h VAL 5029N 1.22 0.47 -0.00 2.29 2.07 -1.94 -1.34 116.25 119.02 1mx1 h VAL 5029Ca -0.43 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 66.96 1mx1 h VAL 5029Cb 1.26 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1mx1 h VAL 5029CO 0.60 0.07 -0.32 1.41 0.02 0.00 0.00 177.57 179.34 1mx1 n HIS 5030N -5.07 0.00 0.00 1.57 8.25 -1.26 -5.02 115.22 113.69 1mx1 n HIS 5030Ca 0.21 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.67 1mx1 n HIS 5030Cb 0.64 -0.21 0.00 0.00 1.12 0.00 0.00 29.99 31.54 1mx1 n HIS 5030CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1mx1 n GLY 5031N 1.41 2.44 3.78 -1.41 0.00 -0.51 -0.62 105.19 110.29 1mx1 n GLY 5031Ca 0.09 -1.54 -0.36 0.00 0.00 0.00 0.00 46.02 44.20 1mx1 n GLY 5031CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mx1 s LYS 5032N -1.90 4.41 0.04 1.61 1.02 -1.24 -1.79 119.74 121.88 1mx1 s LYS 5032Ca 0.00 1.38 0.06 0.00 0.02 0.00 0.00 55.97 57.43 1mx1 s LYS 5032Cb 0.00 -2.66 -0.02 0.00 -0.52 0.00 0.00 37.83 34.63 1mx1 s LYS 5032CO 0.00 0.11 -0.17 0.14 -0.92 0.00 0.00 175.35 174.51 1mx1 s VAL 5033N -1.68 1.38 -0.14 3.17 -7.23 -0.01 -0.77 120.40 115.12 1mx1 s VAL 5033Ca 0.54 -1.06 -0.02 0.00 -1.81 0.00 0.00 61.98 59.63 1mx1 s VAL 5033Cb -0.19 -1.21 -0.02 0.00 0.56 0.00 0.00 36.38 35.52 1mx1 s VAL 5033CO 0.24 0.13 -0.09 -0.22 -0.31 0.00 0.00 175.10 174.85 1mx1 s LEU 5034N -1.08 2.93 0.00 1.32 1.98 0.36 -1.18 118.68 123.01 1mx1 s LEU 5034Ca 0.05 -0.25 0.00 0.00 -2.89 0.00 0.00 54.13 51.04 1mx1 s LEU 5034Cb -0.08 -1.68 0.00 0.00 0.66 0.00 0.00 46.19 45.09 1mx1 s LEU 5034CO 0.01 0.16 0.00 0.61 -1.89 0.00 0.00 176.35 175.25 1mx1 n GLY 5035N 3.55 6.89 3.02 7.98 0.00 -0.59 -0.44 105.19 125.61 1mx1 n GLY 5035Ca -0.18 -1.89 -0.10 0.00 0.00 0.00 0.00 46.02 43.86 1mx1 n GLY 5035CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mx1 s LYS 5036N 1.26 0.36 0.03 1.61 -2.85 -0.30 -4.15 119.74 115.70 1mx1 s LYS 5036Ca 0.00 -0.54 -0.20 0.00 -1.00 0.00 0.00 55.97 54.22 1mx1 s LYS 5036Cb 0.00 0.14 -0.06 0.00 -2.06 0.00 0.00 37.83 35.85 1mx1 s LYS 5036CO 0.00 -0.07 0.59 -0.06 0.10 0.00 0.00 175.35 175.91 1mx1 s PHE 5037N -1.44 3.74 -0.03 1.78 2.99 -1.26 -0.24 117.98 123.52 1mx1 s PHE 5037Ca -0.16 1.24 -0.00 0.00 0.00 0.00 0.00 56.93 58.02 1mx1 s PHE 5037Cb -0.09 -2.58 0.03 0.00 0.00 0.00 0.00 43.02 40.38 1mx1 s PHE 5037CO -0.00 0.44 0.03 0.08 -0.00 0.00 0.00 175.22 175.77 1mx1 s VAL 5038N -0.55 -0.00 -0.21 -0.44 1.01 0.20 -4.95 120.40 115.46 1mx1 s VAL 5038Ca 0.31 0.22 -0.07 0.00 0.00 0.00 0.00 61.98 62.43 1mx1 s VAL 5038Cb -0.19 -0.15 -0.04 0.00 0.00 0.00 0.00 36.38 36.01 1mx1 s VAL 5038CO 0.18 0.12 0.06 -0.44 0.00 0.00 0.00 175.10 175.02 1mx1 s SER 5039N 1.25 5.39 -0.05 3.32 0.01 -1.26 -0.99 113.70 121.36 1mx1 s SER 5039Ca -0.07 -0.04 -0.24 0.00 1.31 0.00 0.00 55.95 56.91 1mx1 s SER 5039Cb -0.13 -1.94 -0.04 0.00 0.21 0.00 0.00 66.02 64.12 1mx1 s SER 5039CO -0.03 0.09 0.73 -0.22 0.41 0.00 0.00 173.24 174.22 1mx1 s LEU 5040N 0.87 4.33 0.26 2.44 2.96 -1.26 -4.99 118.68 123.29 1mx1 s LEU 5040Ca 0.03 1.25 -0.31 0.00 -0.22 0.00 0.00 54.13 54.89 1mx1 s LEU 5040Cb -0.14 -3.13 -0.13 0.00 0.50 0.00 0.00 46.19 43.29 1mx1 s LEU 5040CO 0.02 -0.11 1.39 -1.84 -1.32 0.00 0.00 176.35 174.49 1mx1 n GLU 5041N 3.68 2.05 0.00 1.98 0.28 -1.26 -1.28 120.64 126.10 1mx1 n GLU 5041Ca -0.01 0.73 0.00 0.00 -0.16 0.00 0.00 57.16 57.72 1mx1 n GLU 5041Cb 0.51 -2.37 0.00 0.00 1.43 0.00 0.00 31.44 31.01 1mx1 n GLU 5041CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1mx1 n GLY 5042N 1.94 1.66 3.02 -1.84 0.00 -1.26 -5.03 105.19 103.67 1mx1 n GLY 5042Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 1mx1 n GLY 5042CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1mx1 s PHE 5043N -2.43 2.32 0.22 1.61 0.40 -0.40 -5.00 117.98 114.69 1mx1 s PHE 5043Ca 0.00 -1.41 0.11 0.00 -0.60 0.00 0.00 56.93 55.03 1mx1 s PHE 5043Cb 0.00 -1.64 0.26 0.00 0.51 0.00 0.00 43.02 42.15 1mx1 s PHE 5043CO 0.00 -0.71 1.55 0.00 0.70 0.00 0.00 175.22 176.76 1mx1 h ALA 5044N 8.01 0.84 -1.93 5.36 0.00 -1.96 -3.39 119.26 126.19 1mx1 h ALA 5044Ca -0.34 -0.61 -0.57 0.00 0.00 0.00 0.00 54.91 53.39 1mx1 h ALA 5044Cb 1.12 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.76 1mx1 h ALA 5044CO 0.52 0.84 1.06 -1.14 0.00 0.00 0.00 179.25 180.52 1mx1 s GLN 5045N -3.40 3.75 0.55 0.00 2.00 -1.26 -4.98 119.66 116.32 1mx1 s GLN 5045Ca -0.01 1.28 -0.21 0.00 -2.00 0.00 0.00 55.36 54.43 1mx1 s GLN 5045Cb 0.12 -3.98 -0.05 0.00 0.80 0.00 0.00 33.01 29.90 1mx1 s GLN 5045CO 0.77 -1.34 1.30 -2.14 -0.50 0.00 0.00 175.29 173.38 1mx1 s PRO 5046N 4.61 3.14 -0.21 1.67 0.02 -1.26 -4.82 135.00 138.15 1mx1 s PRO 5046Ca 0.63 2.09 -0.08 0.00 0.02 0.00 0.00 61.00 63.67 1mx1 s PRO 5046Cb -0.18 -2.18 -0.04 0.00 0.02 0.00 0.00 34.50 32.11 1mx1 s PRO 5046CO 0.28 -1.15 0.07 0.08 -0.33 0.00 0.00 177.00 175.96 1mx1 s VAL 5047N -1.39 4.66 -0.09 3.83 1.01 -0.16 -4.66 120.40 123.59 1mx1 s VAL 5047Ca 0.73 -0.07 -0.21 0.00 0.00 0.00 0.00 61.98 62.43 1mx1 s VAL 5047Cb -0.37 -3.13 -0.04 0.00 0.00 0.00 0.00 36.38 32.84 1mx1 s VAL 5047CO 0.43 0.40 0.59 0.00 0.00 0.00 0.00 175.10 176.52 1mx1 s ALA 5048N 0.88 3.41 -0.11 5.51 0.00 0.33 -0.63 121.76 131.14 1mx1 s ALA 5048Ca 0.04 -0.03 0.03 0.00 0.00 0.00 0.00 51.96 52.00 1mx1 s ALA 5048Cb -0.14 -2.81 -0.00 0.00 0.00 0.00 0.00 23.12 20.17 1mx1 s ALA 5048CO 0.03 -0.06 -0.21 0.42 0.00 0.00 0.00 175.76 175.93 1mx1 s ILE 5049N 0.74 2.33 -0.18 0.00 1.01 0.67 -1.43 121.20 124.33 1mx1 s ILE 5049Ca 0.32 -0.92 0.01 0.00 0.00 0.00 0.00 60.65 60.06 1mx1 s ILE 5049Cb -0.16 -1.92 0.03 0.00 0.01 0.00 0.00 42.46 40.42 1mx1 s ILE 5049CO 0.14 0.55 -0.14 -0.36 0.00 0.00 0.00 174.94 175.13 1mx1 s PHE 5050N 0.42 2.49 -0.15 3.97 0.40 -0.29 -1.15 117.98 123.68 1mx1 s PHE 5050Ca -0.15 -1.55 -0.03 0.00 -0.60 0.00 0.00 56.93 54.60 1mx1 s PHE 5050Cb -0.17 -1.71 -0.02 0.00 0.51 0.00 0.00 43.02 41.62 1mx1 s PHE 5050CO 0.07 -0.75 -0.06 -0.51 0.70 0.00 0.00 175.22 174.67 1mx1 s LEU 5051N 1.38 3.12 -0.24 -0.37 1.43 -0.07 -0.64 118.68 123.29 1mx1 s LEU 5051Ca 0.01 -0.17 -0.01 0.00 -1.03 0.00 0.00 54.13 52.93 1mx1 s LEU 5051Cb -0.15 -1.74 0.00 0.00 0.03 0.00 0.00 46.19 44.34 1mx1 s LEU 5051CO -0.10 0.17 0.20 0.61 0.23 0.00 0.00 176.35 177.47 1mx1 n GLY 5052N 3.49 0.42 3.68 -3.19 0.00 -1.20 -3.60 105.19 104.78 1mx1 n GLY 5052Ca -0.18 -0.41 -0.40 0.00 0.00 0.00 0.00 46.02 45.03 1mx1 n GLY 5052CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1mx1 s ILE 5053N -3.07 5.05 0.13 -0.61 1.01 -0.66 -4.85 121.20 118.20 1mx1 s ILE 5053Ca 0.04 1.20 -0.30 0.00 0.00 0.00 0.00 60.65 61.59 1mx1 s ILE 5053Cb -0.02 -3.94 -0.06 0.00 0.01 0.00 0.00 42.46 38.45 1mx1 s ILE 5053CO 0.14 0.17 1.02 -2.16 0.00 0.00 0.00 174.94 174.11 1mx1 s PRO 5054N 1.47 4.65 0.00 2.79 0.04 -1.26 -1.46 135.00 141.23 1mx1 s PRO 5054Ca 0.30 1.55 0.07 0.00 0.04 0.00 0.00 61.00 62.96 1mx1 s PRO 5054Cb -0.16 -3.34 0.08 0.00 0.04 0.00 0.00 34.50 31.12 1mx1 s PRO 5054CO 0.12 0.15 0.82 1.97 0.04 0.00 0.00 177.00 180.09 1mx1 n PHE 5055N 2.72 0.07 -3.50 0.56 1.16 -1.14 -4.90 117.46 112.42 1mx1 n PHE 5055Ca 0.03 -0.12 -0.10 0.00 -1.87 0.00 0.00 57.45 55.38 1mx1 n PHE 5055Cb 0.48 -0.01 -0.02 0.00 -1.61 0.00 0.00 39.48 38.32 1mx1 n PHE 5055CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1mx1 s ALA 5056N -0.66 -1.63 0.38 1.98 0.00 -1.26 -4.30 121.76 116.27 1mx1 s ALA 5056Ca 0.09 0.54 -0.26 0.00 0.00 0.00 0.00 51.96 52.34 1mx1 s ALA 5056Cb 0.06 0.74 -0.09 0.00 0.00 0.00 0.00 23.12 23.83 1mx1 s ALA 5056CO 0.09 -0.79 1.16 0.21 0.00 0.00 0.00 175.76 176.43 1mx1 s LYS 5057N -3.56 4.17 -0.06 0.00 2.20 -0.12 -4.52 119.74 117.85 1mx1 s LYS 5057Ca 0.04 1.84 -0.33 0.00 -0.36 0.00 0.00 55.97 57.16 1mx1 s LYS 5057Cb -0.01 -2.77 -0.11 0.00 -1.51 0.00 0.00 37.83 33.43 1mx1 s LYS 5057CO -0.09 -0.22 1.92 -2.30 -0.36 0.00 0.00 175.35 174.30 1mx1 n PRO 5058N 0.28 2.35 -0.74 4.03 -0.02 -1.26 -4.62 135.00 135.01 1mx1 n PRO 5058Ca 0.03 0.86 -0.23 0.00 -2.02 0.00 0.00 63.50 62.14 1mx1 n PRO 5058Cb 0.46 -2.75 -0.02 0.00 -0.02 0.00 0.00 33.50 31.17 1mx1 n PRO 5058CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1mx1 n PRO 5059N 6.97 2.01 -4.07 0.52 -0.04 -1.26 -4.88 135.00 134.25 1mx1 n PRO 5059Ca 0.22 -1.46 -0.22 0.00 -0.04 0.00 0.00 63.50 62.00 1mx1 n PRO 5059Cb 0.33 -2.47 -0.04 0.00 -0.04 0.00 0.00 33.50 31.28 1mx1 n PRO 5059CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1mx1 s LEU 5060N 0.16 3.96 0.00 1.53 1.43 -1.26 -3.88 118.68 120.62 1mx1 s LEU 5060Ca 0.39 -0.14 0.00 0.00 -1.03 0.00 0.00 54.13 53.35 1mx1 s LEU 5060Cb 0.10 -2.50 0.00 0.00 0.03 0.00 0.00 46.19 43.82 1mx1 s LEU 5060CO -0.02 -0.03 0.00 0.61 0.23 0.00 0.00 176.35 177.13 1mx1 n GLY 5061N -1.14 3.37 0.25 -3.19 0.00 -1.26 -1.59 105.19 101.63 1mx1 n GLY 5061Ca -0.08 0.25 0.08 0.00 0.00 0.00 0.00 46.02 46.27 1mx1 n GLY 5061CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1mx1 h PRO 5062N 0.00 0.00 0.00 1.61 0.11 -1.93 -2.59 132.00 129.19 1mx1 h PRO 5062Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1mx1 h PRO 5062Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1mx1 h PRO 5062CO 0.00 0.04 0.00 1.28 -0.21 0.00 0.00 178.00 179.11 1mx1 n LEU 5063N -4.45 0.00 -4.77 2.35 4.77 -0.62 -4.78 117.00 109.51 1mx1 n LEU 5063Ca -0.03 0.45 -0.40 0.00 -0.03 0.00 0.00 56.01 56.01 1mx1 n LEU 5063Cb 0.12 -0.45 -0.02 0.00 -2.33 0.00 0.00 43.42 40.73 1mx1 n LEU 5063CO 0.34 -0.18 0.91 -0.60 -1.33 0.00 0.00 177.39 176.53 1mx1 s ARG 5064N -2.91 4.33 -1.37 3.23 3.52 -0.98 -2.75 118.95 122.03 1mx1 s ARG 5064Ca 0.10 2.05 -0.04 0.00 -0.13 0.00 0.00 55.73 57.71 1mx1 s ARG 5064Cb 0.12 -3.00 0.00 0.00 -1.56 0.00 0.00 34.95 30.51 1mx1 s ARG 5064CO 0.31 -0.15 0.59 1.19 -0.81 0.00 0.00 175.30 176.44 1mx1 n PHE 5065N 0.70 -1.82 -4.04 5.12 3.72 -1.26 -5.01 117.46 114.87 1mx1 n PHE 5065Ca 0.01 0.51 -0.08 0.00 -0.05 0.00 0.00 57.45 57.83 1mx1 n PHE 5065Cb 0.43 -4.17 -0.09 0.00 -0.94 0.00 0.00 39.48 34.72 1mx1 n PHE 5065CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1mx1 s THR 5066N -3.13 0.17 0.59 4.37 -4.23 -1.11 -4.87 115.64 107.44 1mx1 s THR 5066Ca 0.29 -1.65 -0.20 0.00 -1.18 0.00 0.00 61.69 58.95 1mx1 s THR 5066Cb -0.13 -1.59 -0.04 0.00 1.34 0.00 0.00 72.50 72.09 1mx1 s THR 5066CO 0.36 -0.78 1.28 -2.65 -0.54 0.00 0.00 174.62 172.29 1mx1 n PRO 5067N 0.01 1.38 -2.05 3.99 -0.02 -1.26 -4.93 135.00 132.12 1mx1 n PRO 5067Ca -0.12 0.52 -0.39 0.00 -2.02 0.00 0.00 63.50 61.49 1mx1 n PRO 5067Cb 0.62 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 1mx1 n PRO 5067CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1mx1 s PRO 5068N -3.03 3.79 0.28 0.52 0.04 -1.26 -5.03 135.00 130.31 1mx1 s PRO 5068Ca 0.76 2.09 0.08 0.00 0.04 0.00 0.00 61.00 63.97 1mx1 s PRO 5068Cb -0.41 -2.60 -0.04 0.00 0.04 0.00 0.00 34.50 31.49 1mx1 s PRO 5068CO 0.46 -0.62 0.15 -0.65 0.04 0.00 0.00 177.00 176.38 1mx1 s GLN 5069N -2.44 2.64 0.58 4.56 -0.21 -1.26 -5.00 119.66 118.52 1mx1 s GLN 5069Ca 0.61 -1.27 -0.20 0.00 0.02 0.00 0.00 55.36 54.52 1mx1 s GLN 5069Cb -0.36 -2.38 -0.04 0.00 1.00 0.00 0.00 33.01 31.23 1mx1 s GLN 5069CO 0.46 0.29 1.28 -2.14 -2.12 0.00 0.00 175.29 173.06 1mx1 s PRO 5070N -3.82 2.99 0.42 2.91 0.02 -1.26 -0.94 135.00 135.32 1mx1 s PRO 5070Ca 0.35 2.02 -0.23 0.00 0.02 0.00 0.00 61.00 63.16 1mx1 s PRO 5070Cb -0.06 -2.06 -0.08 0.00 0.02 0.00 0.00 34.50 32.31 1mx1 s PRO 5070CO 0.23 -1.24 1.09 0.00 -0.33 0.00 0.00 177.00 176.75 1mx1 s ALA 5071N -1.43 3.04 0.33 -1.55 0.00 -1.26 -3.64 121.76 117.25 1mx1 s ALA 5071Ca 0.76 0.77 -0.27 0.00 0.00 0.00 0.00 51.96 53.22 1mx1 s ALA 5071Cb -0.36 -3.31 -0.09 0.00 0.00 0.00 0.00 23.12 19.37 1mx1 s ALA 5071CO 0.40 -0.36 1.07 -1.21 0.00 0.00 0.00 175.76 175.66 1mx1 s GLU 5072N -2.59 4.43 0.53 0.00 0.41 -1.26 -4.91 118.70 115.31 1mx1 s GLU 5072Ca 0.60 1.66 -0.20 0.00 -0.41 0.00 0.00 54.97 56.62 1mx1 s GLU 5072Cb -0.24 -2.90 -0.06 0.00 -1.78 0.00 0.00 34.13 29.15 1mx1 s GLU 5072CO 0.30 0.06 1.12 -1.25 -0.49 0.00 0.00 175.26 174.99 1mx1 s PRO 5073N -1.92 3.42 0.14 0.39 0.04 -1.26 -5.02 135.00 130.79 1mx1 s PRO 5073Ca 0.50 1.58 0.10 0.00 0.04 0.00 0.00 61.00 63.23 1mx1 s PRO 5073Cb -0.27 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.21 1mx1 s PRO 5073CO 0.35 -0.79 -0.22 1.67 0.04 0.00 0.00 177.00 178.05 1mx1 s TRP 5074N -1.79 2.41 0.36 0.56 -2.14 0.21 -5.04 118.94 113.51 1mx1 s TRP 5074Ca 0.72 -0.32 -0.04 0.00 2.66 0.00 0.00 56.10 59.12 1mx1 s TRP 5074Cb -0.23 -1.27 -0.04 0.00 -3.10 0.00 0.00 33.47 28.82 1mx1 s TRP 5074CO 0.26 0.39 0.62 -1.12 -2.66 0.00 0.00 176.95 174.44 1mx1 s SER 5075N -2.22 6.36 0.74 -2.66 0.01 -1.26 -4.49 113.70 110.19 1mx1 s SER 5075Ca 0.17 0.71 0.00 0.00 1.31 0.00 0.00 55.95 58.14 1mx1 s SER 5075Cb -0.10 -2.14 0.00 0.00 0.21 0.00 0.00 66.02 63.99 1mx1 s SER 5075CO 0.09 -0.32 0.00 0.49 0.41 0.00 0.00 173.24 173.90 1mx1 n PHE 5076N -1.51 -0.33 -3.82 2.43 0.99 -1.26 -4.72 117.46 109.24 1mx1 n PHE 5076Ca -0.02 0.00 -0.36 0.00 -0.00 0.00 0.00 57.45 57.07 1mx1 n PHE 5076Cb 0.55 0.11 -0.13 0.00 -1.00 0.00 0.00 39.48 39.00 1mx1 n PHE 5076CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.76 176.84 1mx1 s VAL 5077N 0.00 3.95 -0.04 -4.37 1.01 -1.26 -3.73 120.40 115.95 1mx1 s VAL 5077Ca 0.00 -0.30 -0.25 0.00 0.00 0.00 0.00 61.98 61.44 1mx1 s VAL 5077Cb 0.00 -2.83 -0.04 0.00 0.00 0.00 0.00 36.38 33.51 1mx1 s VAL 5077CO 0.00 0.37 0.75 -0.75 0.00 0.00 0.00 175.10 175.47 1mx1 s LYS 5078N 1.55 4.46 -0.67 2.72 2.20 0.05 -4.90 119.74 125.14 1mx1 s LYS 5078Ca 0.06 0.98 -0.25 0.00 -0.36 0.00 0.00 55.97 56.40 1mx1 s LYS 5078Cb -0.15 -3.44 0.05 0.00 -1.51 0.00 0.00 37.83 32.78 1mx1 s LYS 5078CO 0.01 0.07 1.10 1.21 -0.36 0.00 0.00 175.35 177.38 1mx1 s ASN 5079N 0.73 6.20 -1.17 1.43 3.84 -1.26 -0.49 114.94 124.22 1mx1 s ASN 5079Ca 0.40 -0.64 -0.05 0.00 0.21 0.00 0.00 52.86 52.77 1mx1 s ASN 5079Cb -0.18 -2.48 0.24 0.00 -0.55 0.00 0.00 41.25 38.27 1mx1 s ASN 5079CO 0.20 -1.57 1.79 0.00 -2.79 0.00 0.00 177.10 174.73 1mx1 n ALA 5080N 8.37 5.62 -0.18 1.71 0.00 0.42 -4.58 120.51 131.86 1mx1 n ALA 5080Ca 0.00 -4.52 0.00 0.00 0.00 0.00 0.00 53.44 48.92 1mx1 n ALA 5080Cb 0.47 -2.59 0.00 0.00 0.00 0.00 0.00 19.45 17.34 1mx1 n ALA 5080CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1mx1 n THR 5081N 1.79 0.63 -4.30 0.00 -2.24 -1.24 -0.89 114.28 108.04 1mx1 n THR 5081Ca 0.39 -0.72 -0.22 0.00 -2.27 0.00 0.00 64.05 61.22 1mx1 n THR 5081Cb 0.32 0.72 -0.13 0.00 -2.10 0.00 0.00 70.33 69.15 1mx1 n THR 5081CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1mx1 s SER 5082N -0.63 2.22 0.14 3.42 1.04 -1.26 -4.93 113.70 113.70 1mx1 s SER 5082Ca 0.00 -0.63 -0.31 0.00 0.48 0.00 0.00 55.95 55.49 1mx1 s SER 5082Cb 0.00 -0.12 -0.09 0.00 0.10 0.00 0.00 66.02 65.91 1mx1 s SER 5082CO 0.00 0.03 1.50 -0.31 0.98 0.00 0.00 173.24 175.44 1mx1 s TYR 5083N -1.13 3.09 0.82 5.02 2.02 -1.26 -4.04 117.35 121.87 1mx1 s TYR 5083Ca 0.04 0.73 -0.11 0.00 -0.37 0.00 0.00 57.07 57.36 1mx1 s TYR 5083Cb -0.10 -3.83 0.08 0.00 -0.40 0.00 0.00 41.96 37.72 1mx1 s TYR 5083CO 0.03 -3.04 1.09 -1.25 -1.57 0.00 0.00 175.55 170.82 1mx1 s PRO 5084N 1.25 1.89 0.91 -1.71 0.04 -1.26 -4.98 135.00 131.14 1mx1 s PRO 5084Ca 0.68 1.04 -0.12 0.00 0.04 0.00 0.00 61.00 62.64 1mx1 s PRO 5084Cb -0.41 -1.86 0.13 0.00 0.04 0.00 0.00 34.50 32.40 1mx1 s PRO 5084CO 0.31 -1.87 1.09 -2.14 0.04 0.00 0.00 177.00 174.43 1mx1 s PRO 5085N -4.92 1.17 0.15 0.56 0.02 -1.26 -4.77 135.00 125.95 1mx1 s PRO 5085Ca 0.62 0.78 0.03 0.00 0.02 0.00 0.00 61.00 62.45 1mx1 s PRO 5085Cb -0.17 -1.80 -0.04 0.00 0.02 0.00 0.00 34.50 32.51 1mx1 s PRO 5085CO 0.56 -2.29 0.23 0.00 -0.33 0.00 0.00 177.00 175.18 1mx1 s MET 5086N -4.94 3.26 0.58 5.54 0.23 0.05 -4.78 119.30 119.23 1mx1 s MET 5086Ca 0.64 -0.68 -0.20 0.00 -1.03 0.00 0.00 55.69 54.41 1mx1 s MET 5086Cb -0.18 -2.86 -0.04 0.00 -1.53 0.00 0.00 34.83 30.22 1mx1 s MET 5086CO 0.57 0.51 1.28 0.00 -2.03 0.00 0.00 175.02 175.36 1mx1 n THR 5088N -1.35 0.59 -3.68 0.00 -1.04 -1.01 -4.63 114.28 103.17 1mx1 n THR 5088Ca 0.12 -0.15 -0.03 0.00 -2.04 0.00 0.00 64.05 61.95 1mx1 n THR 5088Cb 0.46 -0.98 -0.01 0.00 -1.82 0.00 0.00 70.33 67.98 1mx1 n THR 5088CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1mx1 s GLN 5089N -0.05 0.95 -0.22 -2.82 -2.07 -1.26 -4.72 119.66 109.47 1mx1 s GLN 5089Ca 0.76 -0.50 -0.32 0.00 -1.82 0.00 0.00 55.36 53.48 1mx1 s GLN 5089Cb -0.84 0.34 -0.09 0.00 -1.09 0.00 0.00 33.01 31.33 1mx1 s GLN 5089CO 0.49 -0.43 2.11 -3.47 -1.32 0.00 0.00 175.29 172.67 1mx1 n ASP 5090N -0.42 2.97 -0.21 12.60 -0.08 -1.26 -4.84 116.55 125.31 1mx1 n ASP 5090Ca -0.07 0.52 -0.01 0.00 -1.51 0.00 0.00 54.79 53.72 1mx1 n ASP 5090Cb 0.61 -1.40 0.10 0.00 2.34 0.00 0.00 41.12 42.77 1mx1 n ASP 5090CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1mx1 h PRO 5091N 12.34 0.51 0.21 -0.67 0.11 -1.98 0.90 132.00 143.42 1mx1 h PRO 5091Ca -0.39 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.68 1mx1 h PRO 5091Cb 1.28 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1mx1 h PRO 5091CO 0.98 0.34 -0.10 0.87 -0.21 0.00 0.00 178.00 179.88 1mx1 h LYS 5092N 0.53 -0.27 -0.89 1.05 1.57 -2.00 -1.30 116.57 115.26 1mx1 h LYS 5092Ca 0.30 0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 59.08 1mx1 h LYS 5092Cb 0.28 0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.61 1mx1 h LYS 5092CO -0.24 0.00 0.50 0.00 -0.57 0.00 0.00 179.45 179.15 1mx1 h ALA 5093N 0.21 1.21 -0.36 3.86 0.00 -1.93 -1.35 119.26 120.89 1mx1 h ALA 5093Ca -0.03 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1mx1 h ALA 5093Cb 0.39 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1mx1 h ALA 5093CO 0.05 0.65 0.17 0.78 0.00 0.00 0.00 179.25 180.90 1mx1 h GLY 5094N 1.25 0.56 1.10 0.00 0.00 -0.74 -1.93 103.07 103.30 1mx1 h GLY 5094Ca 0.32 -0.28 -0.14 0.00 0.00 0.00 0.00 47.33 47.23 1mx1 h GLY 5094CO -0.05 0.26 -0.29 -1.61 0.00 0.00 0.00 176.54 174.85 1mx1 h GLN 5095N 0.44 0.93 0.15 4.80 4.15 -1.01 -2.29 115.11 122.29 1mx1 h GLN 5095Ca 0.12 -0.44 0.01 0.00 0.77 0.00 0.00 58.65 59.10 1mx1 h GLN 5095Cb 0.12 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.79 1mx1 h GLN 5095CO -0.02 1.10 -0.17 1.25 -1.93 0.00 0.00 178.83 179.07 1mx1 h LEU 5096N 0.76 -0.47 -0.98 -2.39 5.85 -1.14 -0.86 115.31 116.08 1mx1 h LEU 5096Ca 0.08 0.05 0.09 0.00 0.84 0.00 0.00 57.88 58.93 1mx1 h LEU 5096Cb 0.87 0.17 -0.07 0.00 0.37 0.00 0.00 40.66 42.00 1mx1 h LEU 5096CO 0.08 -0.26 0.62 0.25 -0.34 0.00 0.00 178.44 178.79 1mx1 h LEU 5097N -0.37 0.97 -0.59 2.25 5.85 -1.34 -1.40 115.31 120.67 1mx1 h LEU 5097Ca 0.01 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.71 1mx1 h LEU 5097Cb 0.36 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 1mx1 h LEU 5097CO -0.06 0.58 0.21 -1.28 -0.34 0.00 0.00 178.44 177.55 1mx1 h SER 5098N 1.08 0.84 -0.72 1.25 0.87 -0.90 -1.06 113.55 114.91 1mx1 h SER 5098Ca 0.45 -0.19 -0.05 0.00 -1.23 0.00 0.00 61.79 60.77 1mx1 h SER 5098Cb 0.29 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 62.00 1mx1 h SER 5098CO -0.21 0.80 0.25 -0.33 -0.53 0.00 0.00 176.83 176.81 1mx1 h GLU 5099N 0.82 1.10 -0.16 2.24 5.08 -0.32 -0.02 114.58 123.31 1mx1 h GLU 5099Ca 0.19 -0.22 -0.14 0.00 -1.00 0.00 0.00 59.36 58.19 1mx1 h GLU 5099Cb 0.24 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1mx1 h GLU 5099CO -0.01 0.93 -0.49 -0.07 -1.00 0.00 0.00 179.01 178.36 1mx1 h LEU 5100N 1.05 0.47 0.00 1.33 3.38 -1.07 -3.34 115.31 117.13 1mx1 h LEU 5100Ca 0.23 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1mx1 h LEU 5100Cb 0.27 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1mx1 h LEU 5100CO -0.01 0.89 -1.41 0.49 0.09 0.00 0.00 178.44 178.48 1mx1 n PHE 5101N -3.97 0.09 -1.99 1.13 3.01 -0.42 -4.93 117.46 110.37 1mx1 n PHE 5101Ca -0.02 0.03 -0.39 0.00 1.01 0.00 0.00 57.45 58.07 1mx1 n PHE 5101Cb 0.56 -0.33 0.00 0.00 -0.01 0.00 0.00 39.48 39.70 1mx1 n PHE 5101CO 0.00 0.00 0.00 -0.08 1.01 0.00 0.00 176.76 177.69 1mx1 s THR 5102N -3.27 2.49 -2.43 4.37 -1.32 -0.04 -4.91 115.64 110.54 1mx1 s THR 5102Ca 0.00 0.42 0.23 0.00 -1.21 0.00 0.00 61.69 61.13 1mx1 s THR 5102Cb 0.15 -3.24 0.43 0.00 -1.51 0.00 0.00 72.50 68.33 1mx1 s THR 5102CO 0.87 0.05 1.43 -0.46 -2.21 0.00 0.00 174.62 174.30 1mx1 n ASN 5103N -0.11 3.15 -4.91 8.08 6.94 -1.24 -4.95 115.26 122.21 1mx1 n ASN 5103Ca 0.05 -1.95 -0.27 0.00 -0.02 0.00 0.00 54.58 52.39 1mx1 n ASN 5103Cb 0.44 -0.23 0.03 0.00 -2.36 0.00 0.00 39.78 37.65 1mx1 n ASN 5103CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 1mx1 s ARG 5104N -1.54 3.00 0.15 -3.83 0.52 -1.26 -4.23 118.95 111.77 1mx1 s ARG 5104Ca 0.38 0.04 -0.11 0.00 -0.52 0.00 0.00 55.73 55.52 1mx1 s ARG 5104Cb 0.22 -2.27 -0.00 0.00 0.52 0.00 0.00 34.95 33.41 1mx1 s ARG 5104CO 0.31 -0.66 1.54 -0.22 0.02 0.00 0.00 175.30 176.29 1mx1 h LYS 5105N -0.15 0.97 -4.28 3.54 3.64 -1.93 -3.43 116.57 114.93 1mx1 h LYS 5105Ca -0.45 -0.42 -0.47 0.00 -1.27 0.00 0.00 60.65 58.04 1mx1 h LYS 5105Cb 1.25 -0.03 -0.34 0.00 -0.41 0.00 0.00 32.23 32.70 1mx1 h LYS 5105CO 0.61 1.09 -0.79 -2.00 -2.27 0.00 0.00 179.45 176.08 1mx1 s GLU 5106N -4.67 1.28 0.49 1.90 2.12 -1.26 -5.01 118.70 113.55 1mx1 s GLU 5106Ca -0.12 -0.26 -0.24 0.00 0.36 0.00 0.00 54.97 54.72 1mx1 s GLU 5106Cb 0.12 -1.15 -0.07 0.00 0.26 0.00 0.00 34.13 33.29 1mx1 s GLU 5106CO 0.87 -0.04 1.35 1.21 -0.54 0.00 0.00 175.26 178.10 1mx1 s ASN 5107N 0.86 5.70 -0.34 -1.70 3.04 -1.26 -4.98 114.94 116.25 1mx1 s ASN 5107Ca -0.12 2.75 -0.12 0.00 0.04 0.00 0.00 52.86 55.42 1mx1 s ASN 5107Cb -0.15 -2.64 -0.00 0.00 -1.54 0.00 0.00 41.25 36.92 1mx1 s ASN 5107CO 0.01 -1.28 0.21 -0.63 -3.04 0.00 0.00 177.10 172.37 1mx1 s ILE 5108N -1.29 4.92 0.38 -5.21 1.01 -1.26 -5.07 121.20 114.68 1mx1 s ILE 5108Ca 0.65 -0.44 -0.27 0.00 0.00 0.00 0.00 60.65 60.59 1mx1 s ILE 5108Cb -0.40 -3.58 -0.10 0.00 0.01 0.00 0.00 42.46 38.40 1mx1 s ILE 5108CO 0.49 -0.05 1.36 -2.16 0.00 0.00 0.00 174.94 174.59 1mx1 s PRO 5109N 1.65 4.11 0.16 2.79 0.04 -1.26 -4.99 135.00 137.50 1mx1 s PRO 5109Ca 0.05 2.31 0.08 0.00 0.04 0.00 0.00 61.00 63.48 1mx1 s PRO 5109Cb -0.18 -2.91 -0.04 0.00 0.04 0.00 0.00 34.50 31.41 1mx1 s PRO 5109CO 0.08 -0.43 -0.16 -0.51 0.04 0.00 0.00 177.00 176.02 1mx1 s LEU 5110N -2.15 2.46 0.33 -3.56 1.43 -1.26 -5.12 118.68 110.81 1mx1 s LEU 5110Ca 0.53 -0.89 -0.03 0.00 -1.03 0.00 0.00 54.13 52.71 1mx1 s LEU 5110Cb -0.41 -0.73 -0.04 0.00 0.03 0.00 0.00 46.19 45.04 1mx1 s LEU 5110CO 0.55 -0.09 0.58 -0.54 0.23 0.00 0.00 176.35 177.08 1mx1 s LYS 5111N -2.96 3.58 0.05 1.70 3.01 -1.26 -4.91 119.74 118.94 1mx1 s LYS 5111Ca 0.16 -0.06 -0.02 0.00 -1.01 0.00 0.00 55.97 55.04 1mx1 s LYS 5111Cb -0.04 -2.61 -0.04 0.00 -1.01 0.00 0.00 37.83 34.12 1mx1 s LYS 5111CO 0.06 0.14 0.24 -0.51 0.51 0.00 0.00 175.35 175.78 1mx1 s LEU 5112N -3.92 4.35 -0.22 3.17 1.43 -1.26 -0.77 118.68 121.45 1mx1 s LEU 5112Ca 0.43 0.37 -0.30 0.00 -1.03 0.00 0.00 54.13 53.60 1mx1 s LEU 5112Cb -0.10 -2.92 0.16 0.00 0.03 0.00 0.00 46.19 43.36 1mx1 s LEU 5112CO 0.34 0.18 1.19 -0.55 0.23 0.00 0.00 176.35 177.73 1mx1 s SER 5113N -2.30 -0.19 0.44 2.29 0.15 -0.84 -4.88 113.70 108.37 1mx1 s SER 5113Ca 0.34 0.19 0.25 0.00 0.70 0.00 0.00 55.95 57.43 1mx1 s SER 5113Cb -0.13 0.16 0.58 0.00 -1.71 0.00 0.00 66.02 64.93 1mx1 s SER 5113CO 0.24 -0.19 1.70 -0.33 1.20 0.00 0.00 173.24 175.86 1mx1 h GLU 5114N 2.27 0.00 -5.12 5.44 5.08 -1.95 -2.67 114.58 117.63 1mx1 h GLU 5114Ca -0.13 0.00 -0.71 0.00 -1.00 0.00 0.00 59.36 57.52 1mx1 h GLU 5114Cb 1.18 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.28 1mx1 h GLU 5114CO 0.26 0.00 1.49 0.34 -1.00 0.00 0.00 179.01 180.10 1mx1 s ASP 5115N -5.95 6.93 0.00 1.42 2.15 -1.26 -4.43 116.67 115.53 1mx1 s ASP 5115Ca 0.06 -2.66 0.00 0.00 0.43 0.00 0.00 52.55 50.38 1mx1 s ASP 5115Cb 0.06 -2.45 0.00 0.00 -0.30 0.00 0.00 42.92 40.23 1mx1 s ASP 5115CO 0.64 -0.93 0.63 0.00 -0.17 0.00 0.00 175.17 175.34 1mx1 n LEU 5117N -0.18 5.36 -4.35 0.00 4.77 -1.26 -4.64 117.00 116.69 1mx1 n LEU 5117Ca 0.00 -4.05 -0.18 0.00 -0.03 0.00 0.00 56.01 51.76 1mx1 n LEU 5117Cb 0.34 -1.71 -0.10 0.00 -2.33 0.00 0.00 43.42 39.62 1mx1 n LEU 5117CO 0.00 0.42 -0.32 -0.31 -1.33 0.00 0.00 177.39 175.85 1mx1 s TYR 5118N 3.60 1.63 0.02 -1.77 1.51 -1.26 -2.89 117.35 118.20 1mx1 s TYR 5118Ca 0.51 -0.92 -0.04 0.00 -1.01 0.00 0.00 57.07 55.61 1mx1 s TYR 5118Cb 0.05 -0.96 -0.01 0.00 -0.11 0.00 0.00 41.96 40.93 1mx1 s TYR 5118CO 0.04 -0.02 0.05 -0.48 -1.11 0.00 0.00 175.55 174.03 1mx1 s LEU 5119N -3.33 1.95 0.03 -1.29 0.05 -0.53 -2.34 118.68 113.22 1mx1 s LEU 5119Ca 0.30 -0.48 0.05 0.00 0.05 0.00 0.00 54.13 54.04 1mx1 s LEU 5119Cb 0.06 0.41 -0.03 0.00 -2.05 0.00 0.00 46.19 44.58 1mx1 s LEU 5119CO 0.10 -0.41 -0.10 0.20 -0.55 0.00 0.00 176.35 175.59 1mx1 s ASN 5120N -1.79 4.38 -0.06 1.48 0.01 -0.33 -1.66 114.94 116.98 1mx1 s ASN 5120Ca -0.10 -0.26 0.04 0.00 -0.71 0.00 0.00 52.86 51.83 1mx1 s ASN 5120Cb -0.05 -0.92 -0.00 0.00 0.41 0.00 0.00 41.25 40.69 1mx1 s ASN 5120CO -0.02 0.25 -0.18 -0.63 -1.51 0.00 0.00 177.10 175.01 1mx1 s ILE 5121N -1.03 1.53 -0.31 0.60 1.01 0.19 -1.68 121.20 121.52 1mx1 s ILE 5121Ca 0.17 -0.75 0.02 0.00 0.00 0.00 0.00 60.65 60.09 1mx1 s ILE 5121Cb -0.11 -1.33 0.09 0.00 0.01 0.00 0.00 42.46 41.12 1mx1 s ILE 5121CO 0.08 0.44 0.03 -0.31 0.00 0.00 0.00 174.94 175.19 1mx1 s TYR 5122N 0.19 2.89 -0.13 3.97 1.51 0.12 -1.14 117.35 124.77 1mx1 s TYR 5122Ca -0.08 -2.37 0.01 0.00 -1.01 0.00 0.00 57.07 53.62 1mx1 s TYR 5122Cb -0.14 -2.27 -0.01 0.00 -0.11 0.00 0.00 41.96 39.44 1mx1 s TYR 5122CO 0.04 -0.89 -0.17 -0.08 -1.11 0.00 0.00 175.55 173.34 1mx1 s THR 5123N 1.21 2.65 -2.14 -0.71 -1.32 -0.51 -1.03 115.64 113.80 1mx1 s THR 5123Ca 0.06 -0.80 0.26 0.00 -1.21 0.00 0.00 61.69 60.00 1mx1 s THR 5123Cb -0.19 -2.09 0.28 0.00 -1.51 0.00 0.00 72.50 68.99 1mx1 s THR 5123CO -0.12 0.53 1.49 -0.81 -2.21 0.00 0.00 174.62 173.49 1mx1 n PRO 5124N 3.71 1.28 -1.43 7.08 -0.04 -1.26 -0.51 135.00 143.82 1mx1 n PRO 5124Ca -0.19 -0.87 -0.32 0.00 -0.04 0.00 0.00 63.50 62.08 1mx1 n PRO 5124Cb 0.52 -1.48 0.08 0.00 -0.04 0.00 0.00 33.50 32.58 1mx1 n PRO 5124CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1mx1 s ALA 5125N -2.31 2.23 -0.51 0.55 0.00 -1.26 -4.80 121.76 115.65 1mx1 s ALA 5125Ca 0.27 0.54 -0.21 0.00 0.00 0.00 0.00 51.96 52.56 1mx1 s ALA 5125Cb 0.20 -3.35 0.05 0.00 0.00 0.00 0.00 23.12 20.01 1mx1 s ALA 5125CO 0.46 -1.70 0.70 0.34 0.00 0.00 0.00 175.76 175.56 1mx1 s ASP 5126N -2.71 6.27 0.44 0.00 2.15 -1.26 -4.84 116.67 116.72 1mx1 s ASP 5126Ca 0.67 -0.69 0.30 0.00 0.43 0.00 0.00 52.55 53.26 1mx1 s ASP 5126Cb -0.21 -2.33 1.54 0.00 -0.30 0.00 0.00 42.92 41.62 1mx1 s ASP 5126CO 0.48 -0.96 1.92 -0.07 -0.17 0.00 0.00 175.17 176.38 1mx1 h LEU 5127N 10.01 0.00 -0.55 -1.34 3.38 -1.93 -1.97 115.31 122.91 1mx1 h LEU 5127Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1mx1 h LEU 5127Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1mx1 h LEU 5127CO 0.98 0.00 0.00 0.35 0.09 0.00 0.00 178.44 179.86 1mx1 n THR 5128N -2.60 0.20 -4.19 0.22 -2.24 -1.26 -4.81 114.28 99.61 1mx1 n THR 5128Ca -0.01 -0.19 -0.15 0.00 -2.27 0.00 0.00 64.05 61.43 1mx1 n THR 5128Cb 0.11 0.08 -0.07 0.00 -2.10 0.00 0.00 70.33 68.35 1mx1 n THR 5128CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1mx1 s LYS 5129N -1.80 1.61 -0.26 -0.78 1.02 -0.74 -5.13 119.74 113.66 1mx1 s LYS 5129Ca 0.10 -1.77 -0.14 0.00 0.02 0.00 0.00 55.97 54.17 1mx1 s LYS 5129Cb 0.05 0.35 -0.04 0.00 -0.52 0.00 0.00 37.83 37.67 1mx1 s LYS 5129CO 0.06 -0.61 0.34 0.21 -0.92 0.00 0.00 175.35 174.43 1mx1 s LYS 5130N -3.61 4.02 0.02 1.68 2.20 -1.26 -4.87 119.74 117.91 1mx1 s LYS 5130Ca 0.36 -0.02 0.05 0.00 -0.36 0.00 0.00 55.97 56.00 1mx1 s LYS 5130Cb 0.03 -3.64 -0.02 0.00 -1.51 0.00 0.00 37.83 32.69 1mx1 s LYS 5130CO 0.20 -0.23 -0.14 -0.80 -0.36 0.00 0.00 175.35 174.02 1mx1 s ASN 5131N 1.58 1.67 -0.48 1.43 0.01 -1.26 -5.06 114.94 112.83 1mx1 s ASN 5131Ca 0.14 -0.36 0.08 0.00 -0.71 0.00 0.00 52.86 52.00 1mx1 s ASN 5131Cb -0.16 -0.14 0.30 0.00 0.41 0.00 0.00 41.25 41.66 1mx1 s ASN 5131CO 0.10 0.10 0.73 0.54 -1.51 0.00 0.00 177.10 177.06 1mx1 n ARG 5132N 2.28 1.75 -1.80 -0.60 5.12 -1.21 -3.80 116.66 118.40 1mx1 n ARG 5132Ca -0.16 -3.94 -0.32 0.00 -1.93 0.00 0.00 57.85 51.50 1mx1 n ARG 5132Cb 0.55 -1.82 0.03 0.00 -1.16 0.00 0.00 32.46 30.06 1mx1 n ARG 5132CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1mx1 s LEU 5133N -2.38 3.31 0.61 0.55 1.43 -0.29 -4.18 118.68 117.73 1mx1 s LEU 5133Ca 0.41 1.70 -0.17 0.00 -1.03 0.00 0.00 54.13 55.03 1mx1 s LEU 5133Cb 0.25 -4.51 -0.02 0.00 0.03 0.00 0.00 46.19 41.94 1mx1 s LEU 5133CO -0.09 -1.29 1.14 -2.16 0.23 0.00 0.00 176.35 174.19 1mx1 s PRO 5134N -4.60 2.95 -0.11 1.29 0.04 -1.26 0.81 135.00 134.12 1mx1 s PRO 5134Ca 0.60 1.58 0.02 0.00 0.04 0.00 0.00 61.00 63.24 1mx1 s PRO 5134Cb -0.15 -1.95 -0.01 0.00 0.04 0.00 0.00 34.50 32.43 1mx1 s PRO 5134CO 0.46 -1.16 -0.17 0.08 0.04 0.00 0.00 177.00 176.25 1mx1 s VAL 5135N -1.98 2.69 -0.23 -0.36 1.01 -0.43 -1.65 120.40 119.46 1mx1 s VAL 5135Ca 0.72 -0.80 -0.02 0.00 0.00 0.00 0.00 61.98 61.87 1mx1 s VAL 5135Cb -0.24 -2.09 0.01 0.00 0.00 0.00 0.00 36.38 34.06 1mx1 s VAL 5135CO 0.35 0.54 -0.07 -0.04 0.00 0.00 0.00 175.10 175.88 1mx1 s MET 5136N 0.23 3.07 -0.36 2.72 -1.94 -0.07 0.45 119.30 123.41 1mx1 s MET 5136Ca -0.11 -0.82 -0.11 0.00 -1.71 0.00 0.00 55.69 52.94 1mx1 s MET 5136Cb -0.16 -2.94 0.02 0.00 2.01 0.00 0.00 34.83 33.76 1mx1 s MET 5136CO 0.06 -0.30 0.19 0.08 -0.01 0.00 0.00 175.02 175.05 1mx1 s VAL 5137N 1.38 4.60 -0.03 -6.03 1.01 0.12 -0.64 120.40 120.81 1mx1 s VAL 5137Ca 0.03 -0.73 -0.24 0.00 0.00 0.00 0.00 61.98 61.04 1mx1 s VAL 5137Cb -0.15 -3.50 -0.04 0.00 0.00 0.00 0.00 36.38 32.68 1mx1 s VAL 5137CO -0.05 -0.15 0.71 0.86 0.00 0.00 0.00 175.10 176.46 1mx1 s TRP 5138N 1.57 3.63 -0.29 5.22 -0.11 0.21 -1.72 118.94 127.45 1mx1 s TRP 5138Ca 0.03 1.31 0.01 0.00 1.22 0.00 0.00 56.10 58.67 1mx1 s TRP 5138Cb -0.19 -2.79 0.06 0.00 -1.50 0.00 0.00 33.47 29.06 1mx1 s TRP 5138CO 0.07 0.17 -0.03 0.42 -4.62 0.00 0.00 176.95 172.96 1mx1 s ILE 5139N 0.45 2.58 0.71 5.86 1.01 -0.14 -2.14 121.20 129.53 1mx1 s ILE 5139Ca 0.37 -1.64 -0.15 0.00 0.00 0.00 0.00 60.65 59.24 1mx1 s ILE 5139Cb -0.19 -2.56 0.03 0.00 0.01 0.00 0.00 42.46 39.75 1mx1 s ILE 5139CO 0.19 -0.16 1.16 -1.38 0.00 0.00 0.00 174.94 174.75 1mx1 s HIS 5140N 1.14 2.31 0.08 3.97 -3.43 -1.26 -3.58 115.29 114.51 1mx1 s HIS 5140Ca -0.04 1.59 0.01 0.00 -0.80 0.00 0.00 55.06 55.81 1mx1 s HIS 5140Cb -0.20 -3.31 0.01 0.00 -1.43 0.00 0.00 32.58 27.65 1mx1 s HIS 5140CO -0.04 -2.17 0.11 0.41 -2.00 0.00 0.00 174.74 171.05 1mx1 n GLY 5141N -0.08 1.44 0.00 -1.38 0.00 -1.22 -3.50 105.19 100.45 1mx1 n GLY 5141Ca 0.12 -2.07 0.00 0.00 0.00 0.00 0.00 46.02 44.07 1mx1 n GLY 5141CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mx1 n GLY 5142N 4.12 0.52 2.43 -0.02 0.00 -1.26 -4.43 105.19 106.56 1mx1 n GLY 5142Ca 0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.93 1mx1 n GLY 5142CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mx1 n GLY 5143N 0.00 1.06 2.59 -0.02 0.00 -1.26 -0.79 105.19 106.78 1mx1 n GLY 5143Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 1mx1 n GLY 5143CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1mx1 n LEU 5144N -1.42 0.25 -0.04 0.99 4.77 -1.26 -4.73 117.00 115.56 1mx1 n LEU 5144Ca -0.11 0.08 -0.04 0.00 -0.03 0.00 0.00 56.01 55.91 1mx1 n LEU 5144Cb 0.49 -1.88 -0.06 0.00 -2.33 0.00 0.00 43.42 39.65 1mx1 n LEU 5144CO 0.17 -0.67 -0.75 0.23 -1.33 0.00 0.00 177.39 175.04 1mx1 n MET 5145N -0.92 2.49 -4.31 3.23 2.81 0.03 -1.00 117.12 119.45 1mx1 n MET 5145Ca -0.03 0.00 -0.20 0.00 -1.81 0.00 0.00 57.70 55.66 1mx1 n MET 5145Cb 0.36 -1.19 -0.08 0.00 -0.71 0.00 0.00 33.22 31.60 1mx1 n MET 5145CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 1mx1 s VAL 5146N -2.18 0.05 0.00 2.03 -7.23 -0.68 -4.40 120.40 107.99 1mx1 s VAL 5146Ca -0.05 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.12 1mx1 s VAL 5146Cb 0.02 -2.48 0.00 0.00 0.56 0.00 0.00 36.38 34.48 1mx1 s VAL 5146CO 0.29 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.69 1mx1 n GLY 5147N -0.67 2.73 3.47 2.32 0.00 -1.26 -4.21 105.19 107.57 1mx1 n GLY 5147Ca 0.07 -2.05 -0.14 0.00 0.00 0.00 0.00 46.02 43.90 1mx1 n GLY 5147CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mx1 s ALA 5148N -2.50 -1.69 0.07 4.61 0.00 -1.26 -4.60 121.76 116.40 1mx1 s ALA 5148Ca 0.00 0.87 -0.12 0.00 0.00 0.00 0.00 51.96 52.71 1mx1 s ALA 5148Cb 0.00 0.48 -0.25 0.00 0.00 0.00 0.00 23.12 23.35 1mx1 s ALA 5148CO 0.00 -0.60 1.15 0.00 0.00 0.00 0.00 175.76 176.31 1mx1 h ALA 5149N 2.38 0.08 0.00 0.00 0.00 -1.92 -3.30 119.26 116.50 1mx1 h ALA 5149Ca -0.30 -0.77 0.00 0.00 0.00 0.00 0.00 54.91 53.84 1mx1 h ALA 5149Cb 1.24 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1mx1 h ALA 5149CO 0.38 0.74 0.00 0.43 0.00 0.00 0.00 179.25 180.80 1mx1 n SER 5150N -3.76 0.49 0.10 0.00 7.64 -1.26 -1.65 113.62 115.18 1mx1 n SER 5150Ca -0.12 0.71 0.01 0.00 1.01 0.00 0.00 58.87 60.48 1mx1 n SER 5150Cb 0.96 -0.78 0.36 0.00 -1.01 0.00 0.00 64.21 63.74 1mx1 n SER 5150CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 1mx1 h THR 5151N 0.00 1.20 -3.86 0.44 2.02 -1.95 -3.41 112.91 107.35 1mx1 h THR 5151Ca 0.00 -0.89 -0.65 0.00 0.77 0.00 0.00 66.41 65.64 1mx1 h THR 5151Cb 0.06 1.26 -0.17 0.00 -1.74 0.00 0.00 68.15 67.55 1mx1 h THR 5151CO 0.00 0.28 -0.52 -0.31 0.37 0.00 0.00 175.52 175.34 1mx1 s TYR 5152N -4.66 3.22 -0.34 3.16 1.51 -0.66 -3.72 117.35 115.86 1mx1 s TYR 5152Ca -0.05 0.04 -0.17 0.00 -1.01 0.00 0.00 57.07 55.88 1mx1 s TYR 5152Cb 0.15 -2.39 -0.01 0.00 -0.11 0.00 0.00 41.96 39.60 1mx1 s TYR 5152CO 0.74 -0.20 0.47 0.34 -1.11 0.00 0.00 175.55 175.79 1mx1 s ASP 5153N 1.75 6.29 -0.03 2.29 3.68 -1.26 -4.95 116.67 124.44 1mx1 s ASP 5153Ca 0.07 -0.02 0.11 0.00 2.13 0.00 0.00 52.55 54.84 1mx1 s ASP 5153Cb -0.16 -2.25 0.37 0.00 -1.45 0.00 0.00 42.92 39.43 1mx1 s ASP 5153CO 0.11 -0.42 1.27 0.61 0.13 0.00 0.00 175.17 176.86 1mx1 n GLY 5154N 4.80 1.18 0.04 2.66 0.00 -1.26 -4.42 105.19 108.19 1mx1 n GLY 5154Ca -0.06 -0.45 -0.12 0.00 0.00 0.00 0.00 46.02 45.39 1mx1 n GLY 5154CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1mx1 h LEU 5155N 2.30 -0.01 -0.20 0.99 6.46 -1.92 -1.91 115.31 121.02 1mx1 h LEU 5155Ca 0.00 -0.04 -0.01 0.00 -0.12 0.00 0.00 57.88 57.71 1mx1 h LEU 5155Cb 0.70 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.62 1mx1 h LEU 5155CO 0.06 0.03 0.08 0.00 -0.62 0.00 0.00 178.44 177.99 1mx1 h ALA 5156N 0.94 0.25 -0.29 1.25 0.00 -1.83 -1.08 119.26 118.51 1mx1 h ALA 5156Ca -0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1mx1 h ALA 5156Cb 0.05 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1mx1 h ALA 5156CO 0.00 -0.16 0.15 1.25 0.00 0.00 0.00 179.25 180.49 1mx1 h LEU 5157N 0.17 0.38 -0.03 0.00 5.85 -1.78 0.10 115.31 120.00 1mx1 h LEU 5157Ca 0.07 -0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.68 1mx1 h LEU 5157Cb 0.16 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 1mx1 h LEU 5157CO -0.01 0.38 -0.03 0.00 -0.34 0.00 0.00 178.44 178.45 1mx1 h ALA 5158N 1.01 0.00 -0.46 1.25 0.00 -1.26 -0.31 119.26 119.50 1mx1 h ALA 5158Ca 0.10 0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.90 1mx1 h ALA 5158Cb 0.10 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1mx1 h ALA 5158CO -0.01 -0.51 -0.22 0.00 0.00 0.00 0.00 179.25 178.50 1mx1 h ALA 5159N 0.99 0.75 -0.06 0.00 0.00 -1.10 -0.65 119.26 119.19 1mx1 h ALA 5159Ca 0.02 -0.39 -0.19 0.00 0.00 0.00 0.00 54.91 54.36 1mx1 h ALA 5159Cb 0.07 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1mx1 h ALA 5159CO -0.05 0.66 -0.76 0.45 0.00 0.00 0.00 179.25 179.55 1mx1 h HIS 5160N 0.80 0.51 -0.21 0.00 -0.00 -0.67 -3.33 115.15 112.26 1mx1 h HIS 5160Ca 0.11 -0.24 0.00 0.00 -0.00 0.00 0.00 60.37 60.24 1mx1 h HIS 5160Cb 0.78 -0.08 0.00 0.00 -0.00 0.00 0.00 27.41 28.11 1mx1 h HIS 5160CO 0.05 1.00 0.00 0.39 -0.00 0.00 0.00 177.93 179.36 1mx1 n GLU 5161N -3.81 2.34 -3.69 2.45 -0.58 -0.14 -5.00 120.64 112.21 1mx1 n GLU 5161Ca -0.04 -1.72 -0.26 0.00 -0.42 0.00 0.00 57.16 54.72 1mx1 n GLU 5161Cb 0.72 -1.19 0.03 0.00 -0.57 0.00 0.00 31.44 30.43 1mx1 n GLU 5161CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1mx1 n ASN 5162N 0.30 -3.23 -4.19 1.62 4.05 -0.27 -5.01 115.26 108.53 1mx1 n ASN 5162Ca 0.08 -0.92 -0.14 0.00 0.45 0.00 0.00 54.58 54.05 1mx1 n ASN 5162Cb 0.35 -3.72 -0.11 0.00 1.23 0.00 0.00 39.78 37.53 1mx1 n ASN 5162CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 177.26 174.89 1mx1 s VAL 5163N -3.61 0.95 -0.27 3.44 -7.23 -1.06 -4.64 120.40 107.98 1mx1 s VAL 5163Ca 0.24 -1.73 -0.19 0.00 -1.81 0.00 0.00 61.98 58.49 1mx1 s VAL 5163Cb -0.08 -1.46 -0.02 0.00 0.56 0.00 0.00 36.38 35.39 1mx1 s VAL 5163CO 0.84 -0.61 0.58 -0.69 -0.31 0.00 0.00 175.10 174.91 1mx1 s VAL 5164N -2.67 5.01 -0.19 1.32 1.01 -0.66 -4.35 120.40 119.88 1mx1 s VAL 5164Ca 0.08 0.98 -0.09 0.00 0.00 0.00 0.00 61.98 62.94 1mx1 s VAL 5164Cb -0.01 -3.90 -0.05 0.00 0.00 0.00 0.00 36.38 32.42 1mx1 s VAL 5164CO -0.00 0.02 0.10 -0.69 0.00 0.00 0.00 175.10 174.53 1mx1 s VAL 5165N 2.44 5.17 -0.14 2.92 1.01 -0.20 -0.89 120.40 130.71 1mx1 s VAL 5165Ca 0.24 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.32 1mx1 s VAL 5165Cb -0.15 -3.34 0.03 0.00 0.00 0.00 0.00 36.38 32.91 1mx1 s VAL 5165CO 0.09 0.46 -0.11 -0.69 0.00 0.00 0.00 175.10 174.85 1mx1 s VAL 5166N 0.30 1.38 -0.21 2.92 1.01 0.19 -0.70 120.40 125.29 1mx1 s VAL 5166Ca 0.06 -0.57 -0.06 0.00 0.00 0.00 0.00 61.98 61.41 1mx1 s VAL 5166Cb -0.12 -1.36 -0.03 0.00 0.00 0.00 0.00 36.38 34.88 1mx1 s VAL 5166CO -0.01 0.38 0.04 0.42 0.00 0.00 0.00 175.10 175.93 1mx1 s THR 5167N 1.56 4.32 0.34 3.92 -4.23 -0.67 0.68 115.64 121.54 1mx1 s THR 5167Ca 0.04 -0.19 0.08 0.00 -1.18 0.00 0.00 61.69 60.44 1mx1 s THR 5167Cb -0.13 -2.97 -0.04 0.00 1.34 0.00 0.00 72.50 70.70 1mx1 s THR 5167CO -0.10 0.41 0.19 0.27 -0.54 0.00 0.00 174.62 174.85 1mx1 s ILE 5168N 1.00 3.18 0.21 2.99 -4.36 -0.91 -1.19 121.20 122.12 1mx1 s ILE 5168Ca 0.03 -1.60 0.09 0.00 -0.26 0.00 0.00 60.65 58.91 1mx1 s ILE 5168Cb -0.14 -3.04 -0.05 0.00 1.25 0.00 0.00 42.46 40.48 1mx1 s ILE 5168CO 0.02 -0.18 -0.17 -1.10 0.24 0.00 0.00 174.94 173.76 1mx1 s GLN 5169N -3.89 1.39 0.00 0.37 -0.21 -0.99 -4.36 119.66 111.98 1mx1 s GLN 5169Ca 0.39 -1.59 -0.22 0.00 0.02 0.00 0.00 55.36 53.96 1mx1 s GLN 5169Cb -0.03 -1.31 0.04 0.00 1.00 0.00 0.00 33.01 32.71 1mx1 s GLN 5169CO 0.24 0.24 0.48 1.52 -2.12 0.00 0.00 175.29 175.64 1mx1 s TYR 5170N -2.66 -0.38 0.32 0.91 1.13 -1.26 -4.64 117.35 110.77 1mx1 s TYR 5170Ca 0.23 0.54 -0.28 0.00 -1.41 0.00 0.00 57.07 56.14 1mx1 s TYR 5170Cb -0.03 0.26 -0.13 0.00 -1.10 0.00 0.00 41.96 40.96 1mx1 s TYR 5170CO 0.09 -0.54 1.19 0.54 -2.51 0.00 0.00 175.55 174.31 1mx1 n ARG 5171N 0.83 1.83 -4.49 -3.49 1.74 -1.26 -4.86 116.66 106.96 1mx1 n ARG 5171Ca -0.20 0.64 -0.26 0.00 -0.77 0.00 0.00 57.85 57.27 1mx1 n ARG 5171Cb 0.58 -2.15 -0.10 0.00 -1.02 0.00 0.00 32.46 29.77 1mx1 n ARG 5171CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1mx1 s LEU 5172N -0.45 2.81 0.00 0.55 1.43 -1.26 -4.20 118.68 117.56 1mx1 s LEU 5172Ca 0.57 -1.16 0.00 0.00 -1.03 0.00 0.00 54.13 52.51 1mx1 s LEU 5172Cb -0.62 -1.08 0.00 0.00 0.03 0.00 0.00 46.19 44.52 1mx1 s LEU 5172CO 0.61 -0.24 0.00 0.61 0.23 0.00 0.00 176.35 177.56 1mx1 n GLY 5173N -0.86 2.87 0.07 -3.19 0.00 -0.17 -1.25 105.19 102.67 1mx1 n GLY 5173Ca -0.05 -0.18 -0.11 0.00 0.00 0.00 0.00 46.02 45.69 1mx1 n GLY 5173CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1mx1 h ILE 5174N 0.00 0.97 -0.89 -0.61 2.04 -1.93 0.27 117.51 117.35 1mx1 h ILE 5174Ca 0.00 -0.03 0.12 0.00 1.00 0.00 0.00 64.86 65.95 1mx1 h ILE 5174Cb 0.00 0.89 -0.07 0.00 -0.74 0.00 0.00 36.82 36.90 1mx1 h ILE 5174CO 0.00 0.01 0.58 -0.50 0.00 0.00 0.00 178.15 178.24 1mx1 h TRP 5175N 0.07 0.90 0.00 1.37 6.55 -1.87 -1.54 115.95 121.44 1mx1 h TRP 5175Ca 0.04 0.03 0.00 0.00 0.95 0.00 0.00 58.89 59.91 1mx1 h TRP 5175Cb 0.03 -0.29 0.00 0.00 -0.86 0.00 0.00 29.16 28.04 1mx1 h TRP 5175CO -0.10 0.37 -1.50 0.41 -1.05 0.00 0.00 178.44 176.57 1mx1 n GLY 5176N -1.41 -1.08 0.08 1.49 0.00 -0.38 -4.52 105.19 99.37 1mx1 n GLY 5176Ca 0.16 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.70 1mx1 n GLY 5176CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1mx1 n PHE 5177N -2.07 0.00 -1.80 1.61 3.72 0.90 -1.03 117.46 118.79 1mx1 n PHE 5177Ca -0.01 -0.06 -0.42 0.00 -0.05 0.00 0.00 57.45 56.91 1mx1 n PHE 5177Cb 0.49 -0.01 -0.03 0.00 -0.94 0.00 0.00 39.48 38.99 1mx1 n PHE 5177CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 176.76 176.83 1mx1 s PHE 5178N -0.13 1.65 -0.00 1.38 2.19 -0.59 -4.56 117.98 117.91 1mx1 s PHE 5178Ca 0.01 -0.16 0.05 0.00 0.33 0.00 0.00 56.93 57.15 1mx1 s PHE 5178Cb 0.00 -4.12 -0.01 0.00 -1.31 0.00 0.00 43.02 37.58 1mx1 s PHE 5178CO 0.00 -4.85 -0.17 0.45 1.83 0.00 0.00 175.22 172.48 1mx1 s SER 5179N 3.81 1.98 0.00 6.13 0.15 -1.26 -4.16 113.70 120.35 1mx1 s SER 5179Ca 0.82 -0.33 0.18 0.00 0.70 0.00 0.00 55.95 57.32 1mx1 s SER 5179Cb -0.40 -0.21 0.11 0.00 -1.71 0.00 0.00 66.02 63.81 1mx1 s SER 5179CO 0.37 0.19 1.03 0.35 1.20 0.00 0.00 173.24 176.37 1mx1 n THR 5180N 2.54 0.00 -0.94 6.45 -2.24 -0.48 -4.40 114.28 115.20 1mx1 n THR 5180Ca -0.15 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 61.17 1mx1 n THR 5180Cb 0.54 1.33 0.00 0.00 -2.10 0.00 0.00 70.33 70.10 1mx1 n THR 5180CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mx1 n GLY 5181N 1.06 0.84 2.47 3.38 0.00 -1.25 -4.52 105.19 107.16 1mx1 n GLY 5181Ca 0.10 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.97 1mx1 n GLY 5181CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1mx1 n ASP 5182N 0.00 -0.59 0.16 1.61 3.85 -1.26 -5.01 116.55 115.31 1mx1 n ASP 5182Ca 0.00 -2.66 0.10 0.00 -0.71 0.00 0.00 54.79 51.52 1mx1 n ASP 5182Cb 0.00 1.34 0.54 0.00 -1.35 0.00 0.00 41.12 41.65 1mx1 n ASP 5182CO 0.00 0.00 0.00 -1.84 -1.01 0.00 0.00 177.20 174.35 1mx1 n GLU 5183N -0.48 0.13 0.18 0.11 0.00 -1.26 -1.92 120.64 117.40 1mx1 n GLU 5183Ca 0.06 0.62 0.13 0.00 0.00 0.00 0.00 57.16 57.97 1mx1 n GLU 5183Cb 0.46 -1.99 0.32 0.00 0.00 0.00 0.00 31.44 30.23 1mx1 n GLU 5183CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1mx1 h HIS 5184N 0.00 0.00 -0.28 -1.84 3.86 -1.96 -3.40 115.15 111.53 1mx1 h HIS 5184Ca 0.00 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.14 1mx1 h HIS 5184Cb 0.14 0.00 -0.15 0.00 1.06 0.00 0.00 27.41 28.47 1mx1 h HIS 5184CO 0.00 0.00 -0.23 0.45 0.86 0.00 0.00 177.93 179.01 1mx1 n SER 5185N -2.76 -2.02 -0.25 2.45 2.88 -0.81 -4.96 113.62 108.15 1mx1 n SER 5185Ca 0.04 -1.86 0.02 0.00 -1.33 0.00 0.00 58.87 55.74 1mx1 n SER 5185Cb 0.46 1.08 0.15 0.00 -0.75 0.00 0.00 64.21 65.15 1mx1 n SER 5185CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1mx1 h ARG 5186N 4.07 0.56 0.00 -1.46 3.08 -1.66 -1.26 114.38 117.72 1mx1 h ARG 5186Ca -0.07 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.95 1mx1 h ARG 5186Cb 1.15 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 31.07 1mx1 h ARG 5186CO -0.05 0.37 0.00 0.41 -1.07 0.00 0.00 179.97 179.63 1mx1 n GLY 5187N -1.31 -0.80 2.43 0.04 0.00 -1.26 -4.60 105.19 99.70 1mx1 n GLY 5187Ca 0.12 -2.17 -0.20 0.00 0.00 0.00 0.00 46.02 43.77 1mx1 n GLY 5187CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1mx1 n ASN 5188N 0.00 -5.58 -0.23 1.61 3.02 -1.26 -4.88 115.26 107.95 1mx1 n ASN 5188Ca 0.00 0.12 0.08 0.00 -0.03 0.00 0.00 54.58 54.75 1mx1 n ASN 5188Cb 0.00 -4.72 0.35 0.00 -0.61 0.00 0.00 39.78 34.80 1mx1 n ASN 5188CO 0.00 0.00 0.00 -0.50 -2.62 0.00 0.00 177.26 174.14 1mx1 h TRP 5189N 0.00 0.82 -0.70 3.10 4.06 -1.41 -1.13 115.95 120.69 1mx1 h TRP 5189Ca -0.46 0.02 -0.07 0.00 2.06 0.00 0.00 58.89 60.45 1mx1 h TRP 5189Cb 1.34 -0.27 -0.03 0.00 -1.00 0.00 0.00 29.16 29.20 1mx1 h TRP 5189CO 0.57 0.39 0.17 0.78 -3.56 0.00 0.00 178.44 176.79 1mx1 h GLY 5190N 0.77 1.20 1.25 1.49 0.00 -1.33 -1.07 103.07 105.38 1mx1 h GLY 5190Ca 0.37 -0.75 -0.13 0.00 0.00 0.00 0.00 47.33 46.81 1mx1 h GLY 5190CO -0.14 0.70 -0.28 0.45 0.00 0.00 0.00 176.54 177.27 1mx1 h HIS 5191N 1.05 0.98 0.00 5.60 3.86 -1.62 -1.50 115.15 123.53 1mx1 h HIS 5191Ca 0.22 -0.25 -0.02 0.00 -1.16 0.00 0.00 60.37 59.15 1mx1 h HIS 5191Cb 0.37 -0.22 -0.00 0.00 1.06 0.00 0.00 27.41 28.61 1mx1 h HIS 5191CO 0.03 1.03 -0.11 -0.07 0.86 0.00 0.00 177.93 179.67 1mx1 h LEU 5192N 0.72 0.00 -0.23 2.43 3.38 -0.86 -0.46 115.31 120.29 1mx1 h LEU 5192Ca 0.08 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.84 1mx1 h LEU 5192Cb 0.83 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.59 1mx1 h LEU 5192CO 0.07 0.11 -0.78 0.44 0.09 0.00 0.00 178.44 178.37 1mx1 h ASP 5193N 0.00 0.80 -0.66 -0.43 3.32 -0.63 -1.34 116.42 117.49 1mx1 h ASP 5193Ca -0.00 -0.53 -0.02 0.00 0.02 0.00 0.00 57.03 56.49 1mx1 h ASP 5193Cb 0.21 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.49 1mx1 h ASP 5193CO 0.01 1.32 0.31 1.56 -1.72 0.00 0.00 179.24 180.73 1mx1 h GLN 5194N 0.46 0.95 -0.65 3.56 4.20 -0.20 -0.85 115.11 122.58 1mx1 h GLN 5194Ca -0.05 -0.14 -0.08 0.00 0.06 0.00 0.00 58.65 58.44 1mx1 h GLN 5194Cb 1.39 -0.17 -0.03 0.00 0.30 0.00 0.00 27.48 28.98 1mx1 h GLN 5194CO 0.15 0.76 0.10 0.28 -0.67 0.00 0.00 178.83 179.45 1mx1 h VAL 5195N 0.91 1.26 -0.29 -0.54 2.07 -1.07 -2.04 116.25 116.55 1mx1 h VAL 5195Ca 0.23 -1.03 -0.08 0.00 0.82 0.00 0.00 66.70 66.64 1mx1 h VAL 5195Cb 0.12 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 1mx1 h VAL 5195CO -0.03 0.38 -0.16 0.00 0.02 0.00 0.00 177.57 177.78 1mx1 h ALA 5196N 1.10 1.18 -0.43 1.67 0.00 -0.77 -0.56 119.26 121.44 1mx1 h ALA 5196Ca 0.20 -0.30 -0.12 0.00 0.00 0.00 0.00 54.91 54.69 1mx1 h ALA 5196Cb 0.44 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1mx1 h ALA 5196CO 0.01 0.52 -0.20 0.00 0.00 0.00 0.00 179.25 179.59 1mx1 h ALA 5197N 1.36 0.60 -0.18 0.00 0.00 -0.85 -0.58 119.26 119.60 1mx1 h ALA 5197Ca 0.08 -0.37 -0.08 0.00 0.00 0.00 0.00 54.91 54.54 1mx1 h ALA 5197Cb 0.56 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1mx1 h ALA 5197CO 0.04 0.57 -0.24 -0.07 0.00 0.00 0.00 179.25 179.54 1mx1 h LEU 5198N 0.72 0.32 -0.48 0.00 3.38 -1.08 -0.75 115.31 117.41 1mx1 h LEU 5198Ca 0.10 -0.10 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 1mx1 h LEU 5198Cb 0.76 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 1mx1 h LEU 5198CO 0.06 0.57 0.08 -0.09 0.09 0.00 0.00 178.44 179.15 1mx1 h ARG 5199N 0.29 0.80 -0.66 1.13 9.65 -0.77 -1.70 114.38 123.12 1mx1 h ARG 5199Ca 0.05 -0.21 -0.05 0.00 -1.10 0.00 0.00 59.98 58.66 1mx1 h ARG 5199Cb 0.58 -0.09 -0.03 0.00 -1.39 0.00 0.00 29.97 29.04 1mx1 h ARG 5199CO 0.04 0.80 0.21 2.35 2.80 0.00 0.00 179.97 186.17 1mx1 h TRP 5200N 0.67 1.04 -0.54 2.20 7.01 -0.50 -2.68 115.95 123.14 1mx1 h TRP 5200Ca 0.15 -0.09 -0.04 0.00 2.11 0.00 0.00 58.89 61.02 1mx1 h TRP 5200Cb 0.39 -0.31 -0.02 0.00 -2.10 0.00 0.00 29.16 27.12 1mx1 h TRP 5200CO 0.03 0.82 0.19 0.28 -2.79 0.00 0.00 178.44 176.97 1mx1 h VAL 5201N 0.98 1.23 -0.80 2.65 2.07 -0.80 0.58 116.25 122.15 1mx1 h VAL 5201Ca 0.22 -0.74 0.02 0.00 0.82 0.00 0.00 66.70 67.01 1mx1 h VAL 5201Cb 0.27 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 30.69 1mx1 h VAL 5201CO -0.01 0.28 0.53 1.56 0.02 0.00 0.00 177.57 179.95 1mx1 h GLN 5202N 0.74 1.02 0.00 1.57 1.08 -1.02 -0.11 115.11 118.39 1mx1 h GLN 5202Ca 0.18 -0.06 -0.03 0.00 -1.45 0.00 0.00 58.65 57.28 1mx1 h GLN 5202Cb 0.24 -0.23 -0.01 0.00 -0.05 0.00 0.00 27.48 27.44 1mx1 h GLN 5202CO -0.01 0.68 -0.81 -0.44 -0.95 0.00 0.00 178.83 177.30 1mx1 h ASP 5203N 1.06 0.00 0.00 1.46 3.32 -1.16 -3.42 116.42 117.68 1mx1 h ASP 5203Ca 0.30 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.35 1mx1 h ASP 5203Cb -0.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.47 1mx1 h ASP 5203CO -0.07 0.12 -0.60 0.59 -1.72 0.00 0.00 179.24 177.55 1mx1 n ASN 5204N -2.84 3.02 0.28 6.45 3.02 0.17 -4.80 115.26 120.56 1mx1 n ASN 5204Ca -0.00 -0.15 0.13 0.00 -0.03 0.00 0.00 54.58 54.53 1mx1 n ASN 5204Cb 0.60 0.91 0.81 0.00 -0.61 0.00 0.00 39.78 41.49 1mx1 n ASN 5204CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 1mx1 h ILE 5205N 0.00 0.60 0.00 2.41 6.09 -1.19 -2.43 117.51 122.99 1mx1 h ILE 5205Ca 0.00 -0.24 -0.02 0.00 -1.37 0.00 0.00 64.86 63.23 1mx1 h ILE 5205Cb 0.00 1.15 -0.00 0.00 0.47 0.00 0.00 36.82 38.44 1mx1 h ILE 5205CO 0.00 0.06 -0.08 0.00 -3.07 0.00 0.00 178.15 175.05 1mx1 h ALA 5206N 1.94 1.61 0.00 0.18 0.00 -1.80 -0.41 119.26 120.79 1mx1 h ALA 5206Ca -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1mx1 h ALA 5206Cb 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1mx1 h ALA 5206CO 0.01 0.11 0.00 0.77 0.00 0.00 0.00 179.25 180.13 1mx1 h SER 5207N 0.00 0.00 -0.61 0.00 0.02 -1.73 -2.22 113.55 109.01 1mx1 h SER 5207Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1mx1 h SER 5207Cb 0.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.72 1mx1 h SER 5207CO 0.01 0.00 0.00 0.49 -1.14 0.00 0.00 176.83 176.19 1mx1 n PHE 5208N -2.90 1.41 -1.04 3.45 3.01 -0.28 -4.86 117.46 116.25 1mx1 n PHE 5208Ca 0.02 -0.63 -0.01 0.00 1.01 0.00 0.00 57.45 57.84 1mx1 n PHE 5208Cb 0.33 -0.24 -0.01 0.00 -0.01 0.00 0.00 39.48 39.55 1mx1 n PHE 5208CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1mx1 n GLY 5209N 0.97 0.49 3.92 1.37 0.00 -0.84 -4.72 105.19 106.39 1mx1 n GLY 5209Ca 0.25 -0.93 -0.25 0.00 0.00 0.00 0.00 46.02 45.10 1mx1 n GLY 5209CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1mx1 s GLY 5210N -2.89 1.56 -0.43 -0.02 0.00 -0.49 -1.14 107.32 103.92 1mx1 s GLY 5210Ca 0.00 -1.14 -0.15 0.00 0.00 0.00 0.00 44.72 43.43 1mx1 s GLY 5210CO 0.00 -1.15 0.34 0.21 0.00 0.00 0.00 173.10 172.50 1mx1 s ASN 5211N -3.44 6.13 0.64 1.64 2.47 0.24 -3.44 114.94 119.18 1mx1 s ASN 5211Ca 0.34 -1.01 0.42 0.00 0.42 0.00 0.00 52.86 53.02 1mx1 s ASN 5211Cb -0.10 -2.17 2.20 0.00 -1.45 0.00 0.00 41.25 39.73 1mx1 s ASN 5211CO 0.27 -0.53 2.30 1.55 -3.72 0.00 0.00 177.10 176.98 1mx1 h PRO 5212N 8.68 0.00 -0.01 0.43 0.13 -1.88 -0.87 132.00 138.47 1mx1 h PRO 5212Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1mx1 h PRO 5212Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1mx1 h PRO 5212CO 0.78 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.97 1mx1 n GLY 5213N -0.91 -0.70 2.46 1.56 0.00 -1.26 -4.32 105.19 102.02 1mx1 n GLY 5213Ca -0.02 -0.25 -0.24 0.00 0.00 0.00 0.00 46.02 45.50 1mx1 n GLY 5213CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1mx1 s SER 5214N -1.91 1.17 -0.20 1.61 0.15 -0.33 -4.90 113.70 109.29 1mx1 s SER 5214Ca 0.42 -2.74 -0.01 0.00 0.70 0.00 0.00 55.95 54.32 1mx1 s SER 5214Cb 0.20 -0.08 0.01 0.00 -1.71 0.00 0.00 66.02 64.44 1mx1 s SER 5214CO 0.33 -0.17 -0.14 -0.69 1.20 0.00 0.00 173.24 173.77 1mx1 s VAL 5215N 0.33 2.58 -0.20 4.45 1.01 -1.26 -1.31 120.40 126.00 1mx1 s VAL 5215Ca 0.30 -0.77 -0.07 0.00 0.00 0.00 0.00 61.98 61.44 1mx1 s VAL 5215Cb -0.00 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.21 1mx1 s VAL 5215CO -0.15 0.48 0.06 -0.89 0.00 0.00 0.00 175.10 174.60 1mx1 s THR 5216N 1.36 4.64 -0.15 3.92 2.01 0.17 0.36 115.64 127.96 1mx1 s THR 5216Ca 0.05 -0.08 -0.06 0.00 0.31 0.00 0.00 61.69 61.91 1mx1 s THR 5216Cb -0.14 -3.11 -0.04 0.00 0.01 0.00 0.00 72.50 69.23 1mx1 s THR 5216CO -0.09 0.43 0.06 0.27 -0.69 0.00 0.00 174.62 174.60 1mx1 s ILE 5217N 0.70 4.79 0.01 1.82 -4.36 -0.22 0.11 121.20 124.05 1mx1 s ILE 5217Ca 0.03 -0.04 -0.10 0.00 -0.26 0.00 0.00 60.65 60.28 1mx1 s ILE 5217Cb -0.13 -3.12 0.01 0.00 1.25 0.00 0.00 42.46 40.47 1mx1 s ILE 5217CO 0.02 0.52 0.21 0.72 0.24 0.00 0.00 174.94 176.64 1mx1 s PHE 5218N -0.11 -0.01 0.04 1.37 -0.71 -0.70 -0.12 117.98 117.73 1mx1 s PHE 5218Ca 0.07 -0.09 -0.28 0.00 -1.04 0.00 0.00 56.93 55.58 1mx1 s PHE 5218Cb -0.12 -0.00 0.09 0.00 -1.21 0.00 0.00 43.02 41.78 1mx1 s PHE 5218CO 0.01 -0.38 1.01 0.20 -1.34 0.00 0.00 175.22 174.73 1mx1 s GLY 5219N -1.68 -0.35 0.08 1.99 0.00 -0.97 -0.96 107.32 105.44 1mx1 s GLY 5219Ca -0.10 0.68 0.09 0.00 0.00 0.00 0.00 44.72 45.39 1mx1 s GLY 5219CO -0.00 0.19 -0.24 -1.83 0.00 0.00 0.00 173.10 171.23 1mx1 s GLU 5220N -3.00 1.40 8.00 2.90 4.04 -1.24 -1.07 118.70 129.72 1mx1 s GLU 5220Ca 0.10 -1.14 0.00 0.00 0.04 0.00 0.00 54.97 53.96 1mx1 s GLU 5220Cb -0.00 -1.67 0.00 0.00 0.02 0.00 0.00 34.13 32.48 1mx1 s GLU 5220CO -0.03 0.41 0.00 0.45 -1.84 0.00 0.00 175.26 174.25 1mx1 n SER 5221N 1.38 0.00 -0.14 0.83 2.88 0.19 -1.16 113.62 117.60 1mx1 n SER 5221Ca -0.18 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.50 1mx1 n SER 5221Cb 0.53 0.00 0.51 0.00 -0.75 0.00 0.00 64.21 64.50 1mx1 n SER 5221CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1mx1 h ALA 5222N -0.95 2.09 -0.20 -1.46 0.00 -1.86 0.40 119.26 117.28 1mx1 h ALA 5222Ca 0.00 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 1mx1 h ALA 5222Cb 0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1mx1 h ALA 5222CO 0.00 -0.27 -0.47 0.78 0.00 0.00 0.00 179.25 179.28 1mx1 h GLY 5223N 0.41 0.55 1.48 0.00 0.00 -1.18 -0.51 103.07 103.83 1mx1 h GLY 5223Ca 0.34 -0.59 -0.12 0.00 0.00 0.00 0.00 47.33 46.96 1mx1 h GLY 5223CO -0.10 0.53 -0.33 -1.33 0.00 0.00 0.00 176.54 175.32 1mx1 h GLY 5224N 1.10 0.63 1.30 4.60 0.00 -0.31 -0.93 103.07 109.47 1mx1 h GLY 5224Ca 0.02 -0.58 -0.14 0.00 0.00 0.00 0.00 47.33 46.63 1mx1 h GLY 5224CO 0.09 0.53 -0.37 -2.09 0.00 0.00 0.00 176.54 174.69 1mx1 h GLU 5225N 0.50 0.77 -0.60 4.80 4.22 -0.49 -1.20 114.58 122.57 1mx1 h GLU 5225Ca 0.06 -0.39 0.00 0.00 0.08 0.00 0.00 59.36 59.11 1mx1 h GLU 5225Cb 0.80 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.03 1mx1 h GLU 5225CO 0.07 1.01 0.39 0.77 -2.18 0.00 0.00 179.01 179.07 1mx1 h SER 5226N 0.64 0.70 -0.14 1.04 0.02 -0.68 0.10 113.55 115.24 1mx1 h SER 5226Ca 0.06 -0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1mx1 h SER 5226Cb 0.92 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.28 1mx1 h SER 5226CO 0.08 0.52 0.08 0.58 -1.14 0.00 0.00 176.83 176.96 1mx1 h VAL 5227N 0.81 1.09 -0.86 2.27 2.07 -0.97 -0.37 116.25 120.30 1mx1 h VAL 5227Ca 0.22 -0.23 0.07 0.00 0.82 0.00 0.00 66.70 67.58 1mx1 h VAL 5227Cb -0.07 0.99 -0.06 0.00 -1.52 0.00 0.00 31.29 30.63 1mx1 h VAL 5227CO -0.05 0.08 0.52 -1.28 0.02 0.00 0.00 177.57 176.87 1mx1 h SER 5228N 0.13 0.81 -0.58 0.57 0.87 -0.81 -1.40 113.55 113.15 1mx1 h SER 5228Ca 0.05 0.02 -0.08 0.00 -1.23 0.00 0.00 61.79 60.55 1mx1 h SER 5228Cb 0.06 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 61.85 1mx1 h SER 5228CO -0.01 0.50 0.05 0.58 -0.53 0.00 0.00 176.83 177.42 1mx1 h VAL 5229N 0.94 1.26 -0.69 2.23 2.07 -0.45 -2.86 116.25 118.76 1mx1 h VAL 5229Ca 0.38 -1.06 -0.03 0.00 0.82 0.00 0.00 66.70 66.81 1mx1 h VAL 5229Cb 0.22 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 1mx1 h VAL 5229CO -0.19 0.38 0.30 -0.07 0.02 0.00 0.00 177.57 178.01 1mx1 h LEU 5230N 0.88 0.91 -1.83 2.57 3.38 -0.23 -1.18 115.31 119.81 1mx1 h LEU 5230Ca 0.17 -0.12 0.04 0.00 0.09 0.00 0.00 57.88 58.06 1mx1 h LEU 5230Cb 0.48 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1mx1 h LEU 5230CO 0.02 0.79 0.19 0.58 0.09 0.00 0.00 178.44 180.12 1mx1 h VAL 5231N 0.99 0.97 -0.02 1.22 2.07 -1.07 -1.99 116.25 118.42 1mx1 h VAL 5231Ca 0.24 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.68 1mx1 h VAL 5231Cb 0.15 0.74 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 1mx1 h VAL 5231CO -0.02 0.04 -0.07 0.18 0.02 0.00 0.00 177.57 177.71 1mx1 n LEU 5232N -4.49 2.16 -4.69 2.57 4.77 -0.53 -0.92 117.00 115.86 1mx1 n LEU 5232Ca 0.03 -0.72 -0.35 0.00 -0.03 0.00 0.00 56.01 54.94 1mx1 n LEU 5232Cb 0.20 -0.01 -0.09 0.00 -2.33 0.00 0.00 43.42 41.19 1mx1 n LEU 5232CO 0.35 0.37 -0.24 -0.55 -1.33 0.00 0.00 177.39 175.98 1mx1 s SER 5233N -2.10 5.74 0.55 -1.43 0.15 -0.69 -4.87 113.70 111.05 1mx1 s SER 5233Ca 0.30 0.17 0.33 0.00 0.70 0.00 0.00 55.95 57.45 1mx1 s SER 5233Cb 0.20 -1.91 1.44 0.00 -1.71 0.00 0.00 66.02 64.04 1mx1 s SER 5233CO 0.36 0.25 2.02 1.55 1.20 0.00 0.00 173.24 178.62 1mx1 h PRO 5234N 6.16 0.00 0.00 5.44 0.13 -1.87 -2.67 132.00 139.19 1mx1 h PRO 5234Ca -0.42 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.68 1mx1 h PRO 5234Cb 1.18 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 1mx1 h PRO 5234CO 0.66 0.05 -0.13 -0.07 -0.23 0.00 0.00 178.00 178.28 1mx1 h LEU 5235N 0.00 0.00 -2.14 1.56 3.38 -1.83 -2.88 115.31 113.39 1mx1 h LEU 5235Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1mx1 h LEU 5235Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1mx1 h LEU 5235CO 0.01 0.13 0.00 0.00 0.09 0.00 0.00 178.44 178.67 1mx1 n ALA 5236N -2.18 2.42 -1.67 1.53 0.00 -1.00 -4.98 120.51 114.62 1mx1 n ALA 5236Ca -0.00 -0.99 -0.46 0.00 0.00 0.00 0.00 53.44 51.99 1mx1 n ALA 5236Cb 0.35 -0.95 -0.04 0.00 0.00 0.00 0.00 19.45 18.82 1mx1 n ALA 5236CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1mx1 n LYS 5237N 1.24 2.13 -1.20 0.00 4.81 -1.09 -1.83 118.16 122.22 1mx1 n LYS 5237Ca 0.20 0.76 -0.07 0.00 -0.87 0.00 0.00 58.31 58.33 1mx1 n LYS 5237Cb 0.52 -2.50 -0.03 0.00 0.02 0.00 0.00 35.03 33.03 1mx1 n LYS 5237CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1mx1 n ASN 5238N 3.04 -4.85 0.01 3.14 3.02 -1.26 -4.88 115.26 113.47 1mx1 n ASN 5238Ca 0.15 0.17 0.11 0.00 -0.03 0.00 0.00 54.58 54.98 1mx1 n ASN 5238Cb 0.30 -2.95 -0.10 0.00 -0.61 0.00 0.00 39.78 36.42 1mx1 n ASN 5238CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1mx1 n LEU 5239N -0.77 0.50 -3.77 3.41 4.77 -0.76 -4.98 117.00 115.40 1mx1 n LEU 5239Ca -0.07 -0.16 -0.11 0.00 -0.03 0.00 0.00 56.01 55.64 1mx1 n LEU 5239Cb 0.39 -0.03 -0.07 0.00 -2.33 0.00 0.00 43.42 41.39 1mx1 n LEU 5239CO 0.10 0.09 0.00 0.72 -1.33 0.00 0.00 177.39 176.97 1mx1 s PHE 5240N -3.26 -0.04 0.00 -1.77 -0.71 -1.26 -4.83 117.98 106.11 1mx1 s PHE 5240Ca 0.00 -0.19 0.00 0.00 -1.04 0.00 0.00 56.93 55.70 1mx1 s PHE 5240Cb 0.15 0.07 0.00 0.00 -1.21 0.00 0.00 43.02 42.02 1mx1 s PHE 5240CO 0.87 -0.53 0.18 0.72 -1.34 0.00 0.00 175.22 175.11 1mx1 n HIS 5241N 0.35 0.00 -3.74 3.49 8.25 0.16 -4.93 115.22 118.80 1mx1 n HIS 5241Ca -0.18 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.15 1mx1 n HIS 5241Cb 0.61 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.63 1mx1 n HIS 5241CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1mx1 s ARG 5242N -0.65 0.68 0.00 -0.41 3.00 -1.16 -4.08 118.95 116.34 1mx1 s ARG 5242Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 55.73 55.63 1mx1 s ARG 5242Cb 0.00 0.31 -0.00 0.00 0.00 0.00 0.00 34.95 35.25 1mx1 s ARG 5242CO 0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 175.30 175.11 1mx1 s ALA 5243N -1.20 0.03 -0.08 2.13 0.00 -0.68 -1.05 121.76 120.92 1mx1 s ALA 5243Ca -0.12 -0.11 -0.01 0.00 0.00 0.00 0.00 51.96 51.72 1mx1 s ALA 5243Cb -0.05 0.02 0.03 0.00 0.00 0.00 0.00 23.12 23.12 1mx1 s ALA 5243CO 0.04 -0.02 -0.02 0.42 0.00 0.00 0.00 175.76 176.18 1mx1 s ILE 5244N -0.25 0.55 -0.25 0.00 1.01 0.83 -1.00 121.20 122.08 1mx1 s ILE 5244Ca -0.03 -0.01 -0.05 0.00 0.00 0.00 0.00 60.65 60.57 1mx1 s ILE 5244Cb -0.02 -0.65 -0.00 0.00 0.01 0.00 0.00 42.46 41.80 1mx1 s ILE 5244CO -0.00 0.28 0.01 -0.44 0.00 0.00 0.00 174.94 174.78 1mx1 s SER 5245N 1.74 4.67 -0.31 3.58 0.01 -0.26 -2.29 113.70 120.84 1mx1 s SER 5245Ca 0.02 -0.54 -0.09 0.00 1.31 0.00 0.00 55.95 56.65 1mx1 s SER 5245Cb -0.13 -1.79 -0.00 0.00 0.21 0.00 0.00 66.02 64.31 1mx1 s SER 5245CO -0.05 -0.09 0.14 -1.61 0.41 0.00 0.00 173.24 172.04 1mx1 s GLU 5246N 1.48 3.25 -1.26 12.44 2.02 -0.24 -1.61 118.70 134.78 1mx1 s GLU 5246Ca 0.04 -0.77 -0.10 0.00 0.02 0.00 0.00 54.97 54.16 1mx1 s GLU 5246Cb -0.16 -3.53 -0.00 0.00 0.10 0.00 0.00 34.13 30.54 1mx1 s GLU 5246CO -0.01 -0.44 0.64 0.43 0.02 0.00 0.00 175.26 175.90 1mx1 n SER 5247N 4.96 -2.83 0.00 -0.19 7.64 -0.12 0.57 113.62 123.64 1mx1 n SER 5247Ca -0.14 -0.99 0.00 0.00 1.01 0.00 0.00 58.87 58.75 1mx1 n SER 5247Cb 0.49 -3.34 0.00 0.00 -1.01 0.00 0.00 64.21 60.34 1mx1 n SER 5247CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1mx1 n GLY 5248N -1.78 2.58 3.26 0.23 0.00 -1.26 -2.37 105.19 105.84 1mx1 n GLY 5248Ca -0.20 0.20 -0.16 0.00 0.00 0.00 0.00 46.02 45.85 1mx1 n GLY 5248CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1mx1 s VAL 5249N 0.00 0.06 -0.95 1.61 -7.23 -1.26 -2.77 120.40 109.87 1mx1 s VAL 5249Ca 0.00 -2.00 0.09 0.00 -1.81 0.00 0.00 61.98 58.26 1mx1 s VAL 5249Cb 0.00 -2.50 0.08 0.00 0.56 0.00 0.00 36.38 34.52 1mx1 s VAL 5249CO 0.00 0.00 1.30 0.00 -0.31 0.00 0.00 175.10 176.09 1mx1 n ALA 5250N -0.46 1.38 1.17 1.32 0.00 -1.26 -1.66 120.51 120.99 1mx1 n ALA 5250Ca 0.04 -0.01 0.13 0.00 0.00 0.00 0.00 53.44 53.59 1mx1 n ALA 5250Cb 0.64 -1.15 0.31 0.00 0.00 0.00 0.00 19.45 19.25 1mx1 n ALA 5250CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1mx1 n LEU 5251N -1.56 2.30 -4.58 0.00 4.77 -1.26 -4.64 117.00 112.03 1mx1 n LEU 5251Ca 0.02 -0.81 -0.35 0.00 -0.03 0.00 0.00 56.01 54.84 1mx1 n LEU 5251Cb 0.10 -0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.13 1mx1 n LEU 5251CO 0.08 0.41 1.68 -0.89 -1.33 0.00 0.00 177.39 177.34 1mx1 s THR 5252N -1.94 3.80 0.26 -5.08 2.01 -0.67 -4.82 115.64 109.21 1mx1 s THR 5252Ca 0.33 -1.26 0.10 0.00 0.31 0.00 0.00 61.69 61.18 1mx1 s THR 5252Cb 0.20 -4.82 0.28 0.00 0.01 0.00 0.00 72.50 68.18 1mx1 s THR 5252CO 0.31 -1.50 1.18 -1.54 -0.69 0.00 0.00 174.62 172.38 1mx1 n SER 5253N 11.42 0.13 0.18 3.53 3.41 -1.26 -1.32 113.62 129.70 1mx1 n SER 5253Ca 0.45 1.25 0.17 0.00 -0.26 0.00 0.00 58.87 60.48 1mx1 n SER 5253Cb 0.47 -0.55 0.81 0.00 -0.26 0.00 0.00 64.21 64.67 1mx1 n SER 5253CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 1mx1 h VAL 5254N 0.00 0.50 0.00 -3.33 3.04 -1.79 -1.49 116.25 113.18 1mx1 h VAL 5254Ca 0.56 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.25 1mx1 h VAL 5254Cb 1.39 0.82 0.00 0.00 -2.01 0.00 0.00 31.29 31.49 1mx1 h VAL 5254CO -0.63 0.00 -0.72 0.18 -1.01 0.00 0.00 177.57 175.40 1mx1 n LEU 5255N -3.86 0.61 -4.28 3.16 4.77 -0.43 -4.81 117.00 112.16 1mx1 n LEU 5255Ca 0.02 -0.02 -0.34 0.00 -0.03 0.00 0.00 56.01 55.64 1mx1 n LEU 5255Cb 0.36 -0.17 -0.14 0.00 -2.33 0.00 0.00 43.42 41.13 1mx1 n LEU 5255CO 0.28 0.09 -0.42 -0.69 -1.33 0.00 0.00 177.39 175.31 1mx1 s VAL 5256N -3.08 3.05 -0.24 4.08 1.01 -0.56 -0.75 120.40 123.90 1mx1 s VAL 5256Ca 0.08 -0.61 -0.22 0.00 0.00 0.00 0.00 61.98 61.22 1mx1 s VAL 5256Cb 0.16 -2.35 -0.01 0.00 0.00 0.00 0.00 36.38 34.17 1mx1 s VAL 5256CO 0.75 0.46 0.73 -0.54 0.00 0.00 0.00 175.10 176.50 1mx1 s LYS 5257N 1.28 4.15 0.10 2.72 -0.14 0.20 -4.87 119.74 123.18 1mx1 s LYS 5257Ca 0.03 0.75 0.07 0.00 -1.36 0.00 0.00 55.97 55.47 1mx1 s LYS 5257Cb -0.14 -3.64 -0.04 0.00 -1.68 0.00 0.00 37.83 32.33 1mx1 s LYS 5257CO -0.04 -0.45 -0.12 -1.59 -0.76 0.00 0.00 175.35 172.39 1mx1 s LYS 5258N 2.63 2.08 1.53 1.68 0.00 -1.26 -4.37 119.74 122.02 1mx1 s LYS 5258Ca 0.31 -1.04 0.00 0.00 0.00 0.00 0.00 55.97 55.24 1mx1 s LYS 5258Cb -0.15 -2.27 0.00 0.00 0.00 0.00 0.00 37.83 35.40 1mx1 s LYS 5258CO 0.08 0.51 0.00 0.41 0.00 0.00 0.00 175.35 176.35 1mx1 n GLY 5259N 0.79 0.10 3.64 0.59 0.00 -1.26 -4.85 105.19 104.21 1mx1 n GLY 5259Ca -0.14 -1.44 -0.41 0.00 0.00 0.00 0.00 46.02 44.04 1mx1 n GLY 5259CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1mx1 s ASP 5260N -4.00 6.66 0.00 1.61 2.15 -1.26 -4.93 116.67 116.91 1mx1 s ASP 5260Ca 0.00 0.81 0.23 0.00 0.43 0.00 0.00 52.55 54.02 1mx1 s ASP 5260Cb 0.00 -2.36 0.06 0.00 -0.30 0.00 0.00 42.92 40.32 1mx1 s ASP 5260CO 0.00 -0.35 1.11 1.33 -0.17 0.00 0.00 175.17 177.09 1mx1 n VAL 5261N 4.98 0.00 -0.21 1.11 0.24 -1.26 -4.41 118.33 118.77 1mx1 n VAL 5261Ca -0.00 -0.09 0.01 0.00 -2.04 0.00 0.00 64.34 62.22 1mx1 n VAL 5261Cb 0.49 0.90 0.13 0.00 -1.47 0.00 0.00 33.84 33.89 1mx1 n VAL 5261CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 1mx1 h LYS 5262N 0.88 0.35 -0.64 7.34 1.63 -1.85 -2.06 116.57 122.21 1mx1 h LYS 5262Ca 0.00 -0.02 0.09 0.00 -0.85 0.00 0.00 60.65 59.87 1mx1 h LYS 5262Cb 0.58 -0.08 -0.07 0.00 -0.60 0.00 0.00 32.23 32.06 1mx1 h LYS 5262CO 0.00 0.23 0.27 -1.35 -3.45 0.00 0.00 179.45 175.16 1mx1 h PRO 5263N 0.36 0.46 -0.51 1.90 0.11 -1.97 -0.75 132.00 131.62 1mx1 h PRO 5263Ca 0.33 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 66.36 1mx1 h PRO 5263Cb 0.47 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.45 1mx1 h PRO 5263CO -0.36 0.31 0.10 1.25 -0.21 0.00 0.00 178.00 179.09 1mx1 h LEU 5264N 0.48 0.79 -0.53 2.35 5.85 -1.70 -1.36 115.31 121.18 1mx1 h LEU 5264Ca 0.32 -0.25 0.05 0.00 0.84 0.00 0.00 57.88 58.84 1mx1 h LEU 5264Cb 0.38 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.15 1mx1 h LEU 5264CO -0.29 0.83 0.27 0.00 -0.34 0.00 0.00 178.44 178.91 1mx1 h ALA 5265N 0.99 0.68 -0.43 1.25 0.00 -0.69 -1.27 119.26 119.79 1mx1 h ALA 5265Ca 0.16 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 1mx1 h ALA 5265Cb 0.36 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1mx1 h ALA 5265CO 0.01 -0.07 0.10 0.93 0.00 0.00 0.00 179.25 180.21 1mx1 h GLU 5266N 0.53 0.69 -0.90 0.00 5.08 -1.00 -0.08 114.58 118.90 1mx1 h GLU 5266Ca 0.23 -0.17 0.06 0.00 -1.00 0.00 0.00 59.36 58.48 1mx1 h GLU 5266Cb 0.14 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.24 1mx1 h GLU 5266CO -0.16 0.70 0.57 0.37 -1.00 0.00 0.00 179.01 179.49 1mx1 h GLN 5267N 0.56 1.01 -0.15 2.33 4.15 -0.76 0.28 115.11 122.53 1mx1 h GLN 5267Ca 0.13 -0.06 -0.07 0.00 0.77 0.00 0.00 58.65 59.43 1mx1 h GLN 5267Cb 0.33 -0.23 -0.00 0.00 0.21 0.00 0.00 27.48 27.79 1mx1 h GLN 5267CO 0.00 0.67 -0.16 0.82 -1.93 0.00 0.00 178.83 178.23 1mx1 h ILE 5268N 1.04 1.35 -0.33 2.39 2.04 -1.01 -1.76 117.51 121.23 1mx1 h ILE 5268Ca 0.39 -1.34 0.03 0.00 1.00 0.00 0.00 64.86 64.94 1mx1 h ILE 5268Cb 0.15 1.89 -0.03 0.00 -0.74 0.00 0.00 36.82 38.09 1mx1 h ILE 5268CO -0.17 0.40 0.13 0.00 0.00 0.00 0.00 178.15 178.51 1mx1 h ALA 5269N 0.60 0.39 -0.77 1.87 0.00 -0.42 -0.93 119.26 120.01 1mx1 h ALA 5269Ca 0.02 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1mx1 h ALA 5269Cb 0.71 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.46 1mx1 h ALA 5269CO 0.04 -0.26 0.47 0.82 0.00 0.00 0.00 179.25 180.32 1mx1 h ILE 5270N 0.28 1.22 -0.22 0.00 2.04 -0.47 -0.05 117.51 120.30 1mx1 h ILE 5270Ca 0.15 -0.48 -0.04 0.00 1.00 0.00 0.00 64.86 65.49 1mx1 h ILE 5270Cb 0.10 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.31 1mx1 h ILE 5270CO -0.14 0.23 -0.03 0.74 0.00 0.00 0.00 178.15 178.95 1mx1 h THR 5271N 1.06 1.16 0.00 -0.27 2.02 -0.77 -2.12 112.91 113.99 1mx1 h THR 5271Ca 0.28 -0.63 0.00 0.00 0.77 0.00 0.00 66.41 66.83 1mx1 h THR 5271Cb -0.04 1.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.39 1mx1 h THR 5271CO -0.05 0.21 0.00 0.00 0.37 0.00 0.00 175.52 176.05 1mx1 h ALA 5272N 1.65 1.00 0.00 6.16 0.00 -0.58 -3.47 119.26 124.02 1mx1 h ALA 5272Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1mx1 h ALA 5272Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1mx1 h ALA 5272CO 0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.67 1mx1 n GLY 5273N 0.94 1.62 3.69 0.00 0.00 -0.80 -5.07 105.19 105.58 1mx1 n GLY 5273Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 1mx1 n GLY 5273CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mx1 s LYS 5275N -1.71 2.16 -0.17 0.00 1.02 -1.26 -3.93 119.74 115.86 1mx1 s LYS 5275Ca 0.21 1.07 0.14 0.00 0.02 0.00 0.00 55.97 57.41 1mx1 s LYS 5275Cb -0.12 -1.89 0.41 0.00 -0.52 0.00 0.00 37.83 35.72 1mx1 s LYS 5275CO 0.12 -1.68 1.21 0.25 -0.92 0.00 0.00 175.35 174.32 1mx1 n THR 5276N -3.54 1.78 -0.17 2.17 -2.24 -1.26 -4.27 114.28 106.75 1mx1 n THR 5276Ca 0.08 -2.78 -0.01 0.00 -2.27 0.00 0.00 64.05 59.07 1mx1 n THR 5276Cb 0.53 -0.01 0.07 0.00 -2.10 0.00 0.00 70.33 68.83 1mx1 n THR 5276CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1mx1 h THR 5277N 2.11 0.62 -3.77 4.28 2.02 -1.95 -3.45 112.91 112.77 1mx1 h THR 5277Ca -0.04 -0.05 -0.09 0.00 0.77 0.00 0.00 66.41 67.00 1mx1 h THR 5277Cb 1.17 0.45 -0.12 0.00 -1.74 0.00 0.00 68.15 67.91 1mx1 h THR 5277CO 0.02 0.03 -0.23 0.42 0.37 0.00 0.00 175.52 176.12 1mx1 s THR 5278N -6.15 0.04 0.17 3.16 -4.23 -1.26 -5.03 115.64 102.34 1mx1 s THR 5278Ca -0.13 -1.31 -0.14 0.00 -1.18 0.00 0.00 61.69 58.93 1mx1 s THR 5278Cb 0.16 -1.89 0.07 0.00 1.34 0.00 0.00 72.50 72.18 1mx1 s THR 5278CO 0.73 -0.20 1.82 0.28 -0.54 0.00 0.00 174.62 176.70 1mx1 h SER 5279N 2.43 0.64 -0.66 3.99 0.02 -1.97 -1.55 113.55 116.45 1mx1 h SER 5279Ca -0.30 -0.05 -0.03 0.00 -0.84 0.00 0.00 61.79 60.57 1mx1 h SER 5279Cb 1.24 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 63.59 1mx1 h SER 5279CO 0.44 0.50 0.30 0.00 -1.14 0.00 0.00 176.83 176.93 1mx1 h ALA 5280N 1.17 1.24 -0.27 3.77 0.00 -1.97 -2.10 119.26 121.11 1mx1 h ALA 5280Ca 0.20 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1mx1 h ALA 5280Cb -0.03 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1mx1 h ALA 5280CO -0.04 0.57 0.02 0.28 0.00 0.00 0.00 179.25 180.08 1mx1 h VAL 5281N 0.97 1.24 0.13 0.00 2.07 -1.85 -1.55 116.25 117.26 1mx1 h VAL 5281Ca 0.23 -0.85 0.01 0.00 0.82 0.00 0.00 66.70 66.91 1mx1 h VAL 5281Cb 0.14 1.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 1mx1 h VAL 5281CO -0.03 0.27 -0.16 0.24 0.02 0.00 0.00 177.57 177.92 1mx1 h MET 5282N 0.26 -0.32 -0.29 1.57 2.86 -1.04 -1.20 114.93 116.77 1mx1 h MET 5282Ca 0.08 0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.76 1mx1 h MET 5282Cb 0.38 0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.09 1mx1 h MET 5282CO 0.01 -0.21 0.15 0.28 1.06 0.00 0.00 176.91 178.20 1mx1 h VAL 5283N -0.33 1.01 -0.52 -2.22 2.07 -1.39 0.59 116.25 115.47 1mx1 h VAL 5283Ca 0.01 -0.11 0.05 0.00 0.82 0.00 0.00 66.70 67.47 1mx1 h VAL 5283Cb 0.33 0.66 -0.05 0.00 -1.52 0.00 0.00 31.29 30.71 1mx1 h VAL 5283CO -0.06 0.06 0.25 -0.74 0.02 0.00 0.00 177.57 177.10 1mx1 h HIS 5284N 0.32 0.46 -0.68 1.57 -0.00 -1.17 0.23 115.15 115.90 1mx1 h HIS 5284Ca 0.11 0.02 -0.05 0.00 -0.00 0.00 0.00 60.37 60.46 1mx1 h HIS 5284Cb 0.02 -0.13 -0.03 0.00 -0.00 0.00 0.00 27.41 27.26 1mx1 h HIS 5284CO -0.09 0.22 0.23 0.00 -0.00 0.00 0.00 177.93 178.29 1mx1 h LEU 5286N 0.98 0.06 -1.42 0.00 3.38 -0.13 -2.31 115.31 115.87 1mx1 h LEU 5286Ca 0.22 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.13 1mx1 h LEU 5286Cb 0.27 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 1mx1 h LEU 5286CO -0.01 0.45 -0.15 0.03 0.09 0.00 0.00 178.44 178.84 1mx1 h ARG 5287N 0.05 0.00 0.00 1.13 3.08 -0.13 -2.90 114.38 115.61 1mx1 h ARG 5287Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1mx1 h ARG 5287Cb 0.71 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.76 1mx1 h ARG 5287CO 0.05 0.15 -0.59 1.96 -1.07 0.00 0.00 179.97 180.47 1mx1 h GLN 5288N 0.00 0.00 -7.08 0.04 4.20 -1.08 -3.46 115.11 107.72 1mx1 h GLN 5288Ca -0.00 0.00 -0.51 0.00 0.06 0.00 0.00 58.65 58.20 1mx1 h GLN 5288Cb 0.59 0.00 0.08 0.00 0.30 0.00 0.00 27.48 28.45 1mx1 h GLN 5288CO 0.02 0.00 0.45 0.15 -0.67 0.00 0.00 178.83 178.78 1mx1 s LYS 5289N -3.17 3.29 0.76 1.46 -0.14 -1.10 -5.01 119.74 115.83 1mx1 s LYS 5289Ca 0.06 1.67 -0.12 0.00 -1.36 0.00 0.00 55.97 56.23 1mx1 s LYS 5289Cb 0.13 -2.01 0.05 0.00 -1.68 0.00 0.00 37.83 34.32 1mx1 s LYS 5289CO 0.71 -0.91 1.12 0.95 -0.76 0.00 0.00 175.35 176.46 1mx1 s THR 5290N -1.71 2.93 0.16 2.17 -4.23 -1.26 -4.88 115.64 108.82 1mx1 s THR 5290Ca 0.73 0.30 -0.15 0.00 -1.18 0.00 0.00 61.69 61.39 1mx1 s THR 5290Cb -0.26 -3.25 0.04 0.00 1.34 0.00 0.00 72.50 70.37 1mx1 s THR 5290CO 0.29 -0.39 1.78 -0.08 -0.54 0.00 0.00 174.62 175.67 1mx1 h GLU 5291N -0.88 0.39 -0.83 3.99 4.81 -1.98 -1.72 114.58 118.36 1mx1 h GLU 5291Ca -0.46 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1mx1 h GLU 5291Cb 1.28 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 30.53 1mx1 h GLU 5291CO 0.64 0.26 0.53 1.49 -0.73 0.00 0.00 179.01 181.20 1mx1 h GLU 5292N 0.41 1.10 -0.37 1.92 4.81 -1.98 0.22 114.58 120.68 1mx1 h GLU 5292Ca 0.18 -0.08 -0.09 0.00 -0.13 0.00 0.00 59.36 59.24 1mx1 h GLU 5292Cb 0.09 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 29.21 1mx1 h GLU 5292CO -0.13 0.74 -0.14 0.93 -0.73 0.00 0.00 179.01 179.68 1mx1 h GLU 5293N 1.13 0.66 -0.04 1.92 5.08 -1.74 -0.02 114.58 121.57 1mx1 h GLU 5293Ca 0.30 -0.22 -0.19 0.00 -1.00 0.00 0.00 59.36 58.25 1mx1 h GLU 5293Cb -0.10 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 1mx1 h GLU 5293CO -0.06 0.78 -0.81 -0.07 -1.00 0.00 0.00 179.01 177.85 1mx1 h LEU 5294N 0.60 0.41 -0.57 1.33 3.38 -0.73 -1.89 115.31 117.83 1mx1 h LEU 5294Ca 0.10 -0.29 -0.08 0.00 0.09 0.00 0.00 57.88 57.70 1mx1 h LEU 5294Cb 0.59 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 1mx1 h LEU 5294CO 0.04 1.06 0.05 0.25 0.09 0.00 0.00 178.44 179.92 1mx1 h LEU 5295N 0.21 0.95 -1.01 1.67 5.85 -0.67 -0.03 115.31 122.28 1mx1 h LEU 5295Ca -0.04 -0.28 -0.06 0.00 0.84 0.00 0.00 57.88 58.33 1mx1 h LEU 5295Cb 1.41 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 42.16 1mx1 h LEU 5295CO 0.13 1.00 0.01 -0.33 -0.34 0.00 0.00 178.44 178.91 1mx1 h GLU 5296N 0.87 0.72 -0.63 1.25 5.08 -0.93 -1.19 114.58 119.76 1mx1 h GLU 5296Ca 0.17 -0.18 -0.07 0.00 -1.00 0.00 0.00 59.36 58.28 1mx1 h GLU 5296Cb 0.48 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.61 1mx1 h GLU 5296CO 0.02 0.73 0.11 1.15 -1.00 0.00 0.00 179.01 180.01 1mx1 h THR 5297N 0.68 1.26 -0.32 1.13 2.02 -0.84 -1.50 112.91 115.34 1mx1 h THR 5297Ca 0.14 -0.99 0.00 0.00 0.77 0.00 0.00 66.41 66.33 1mx1 h THR 5297Cb 0.40 0.66 -0.02 0.00 -1.74 0.00 0.00 68.15 67.45 1mx1 h THR 5297CO 0.01 0.37 0.21 0.74 0.37 0.00 0.00 175.52 177.23 1mx1 h THR 5298N 0.96 1.08 -0.74 3.16 2.02 -0.22 -1.58 112.91 117.60 1mx1 h THR 5298Ca 0.19 -0.15 -0.01 0.00 0.77 0.00 0.00 66.41 67.21 1mx1 h THR 5298Cb 0.41 0.61 -0.03 0.00 -1.74 0.00 0.00 68.15 67.40 1mx1 h THR 5298CO 0.01 0.08 0.40 -0.07 0.37 0.00 0.00 175.52 176.32 1mx1 h LEU 5299N 0.44 0.93 -1.17 2.58 4.07 -0.92 -2.39 115.31 118.84 1mx1 h LEU 5299Ca 0.12 -0.10 -0.07 0.00 0.08 0.00 0.00 57.88 57.91 1mx1 h LEU 5299Cb -0.05 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 41.44 1mx1 h LEU 5299CO -0.03 0.76 -0.20 0.11 -1.08 0.00 0.00 178.44 178.00 1mx1 h LYS 5300N 1.02 0.33 0.00 1.13 1.57 -1.00 -1.80 116.57 117.82 1mx1 h LYS 5300Ca 0.26 -0.10 -0.08 0.00 -1.87 0.00 0.00 60.65 58.86 1mx1 h LYS 5300Cb 0.04 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1mx1 h LYS 5300CO -0.04 0.52 -0.37 0.52 -0.57 0.00 0.00 179.45 179.51 1mx1 h MET 5301N 0.31 0.00 -5.71 3.15 2.86 -0.85 -3.47 114.93 111.21 1mx1 h MET 5301Ca 0.05 0.00 -0.32 0.00 -2.06 0.00 0.00 59.70 57.38 1mx1 h MET 5301Cb 0.53 0.00 0.16 0.00 0.06 0.00 0.00 31.60 32.35 1mx1 h MET 5301CO 0.03 0.37 -0.87 1.17 1.06 0.00 0.00 176.91 178.68 1mx1 n LYS 5302N -4.00 -2.70 -1.21 1.72 4.81 -0.68 -4.99 118.16 111.11 1mx1 n LYS 5302Ca -0.02 0.75 -0.29 0.00 -0.87 0.00 0.00 58.31 57.88 1mx1 n LYS 5302Cb 0.42 -5.38 0.20 0.00 0.02 0.00 0.00 35.03 30.29 1mx1 n LYS 5302CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 1mx1 s PHE 5303N -3.43 1.54 -1.75 5.64 0.40 -1.26 -3.88 117.98 115.24 1mx1 s PHE 5303Ca 0.37 0.76 0.00 0.00 -0.60 0.00 0.00 56.93 57.46 1mx1 s PHE 5303Cb -0.07 -3.38 0.00 0.00 0.51 0.00 0.00 43.02 40.07 1mx1 s PHE 5303CO 0.77 -3.21 0.00 1.28 0.70 0.00 0.00 175.22 174.77 1mx1 n LEU 5304N -4.34 -1.52 -3.81 -0.37 4.77 0.21 -4.95 117.00 106.99 1mx1 n LEU 5304Ca 0.08 0.25 -0.15 0.00 -0.03 0.00 0.00 56.01 56.16 1mx1 n LEU 5304Cb 0.58 -2.64 -0.16 0.00 -2.33 0.00 0.00 43.42 38.88 1mx1 n LEU 5304CO 0.53 -0.58 -0.36 -0.55 -1.33 0.00 0.00 177.39 175.10 1mx1 s SER 5305N -2.30 0.21 -0.03 -1.43 0.15 -1.25 -4.14 113.70 104.91 1mx1 s SER 5305Ca 0.00 0.01 -0.30 0.00 0.70 0.00 0.00 55.95 56.36 1mx1 s SER 5305Cb 0.00 -0.12 -0.06 0.00 -1.71 0.00 0.00 66.02 64.13 1mx1 s SER 5305CO 0.00 -0.10 1.69 -0.22 1.20 0.00 0.00 173.24 175.81 1mx1 s LEU 5306N 0.89 4.34 -0.36 3.45 2.96 -0.81 -4.83 118.68 124.33 1mx1 s LEU 5306Ca -0.08 2.31 -0.25 0.00 -0.22 0.00 0.00 54.13 55.89 1mx1 s LEU 5306Cb -0.11 -3.54 0.01 0.00 0.50 0.00 0.00 46.19 43.05 1mx1 s LEU 5306CO -0.02 -0.93 0.87 -0.62 -1.32 0.00 0.00 176.35 174.33 1mx1 s ASP 5307N 3.37 6.65 0.00 3.68 3.68 -1.26 -4.91 116.67 127.88 1mx1 s ASP 5307Ca 0.75 0.55 0.19 0.00 2.13 0.00 0.00 52.55 56.17 1mx1 s ASP 5307Cb -0.35 -2.44 0.53 0.00 -1.45 0.00 0.00 42.92 39.21 1mx1 s ASP 5307CO 0.31 -0.79 1.44 0.18 0.13 0.00 0.00 175.17 176.45 1mx1 n LEU 5308N 6.59 3.03 -4.30 -1.34 4.77 -1.26 -4.90 117.00 119.59 1mx1 n LEU 5308Ca 0.06 -1.45 -0.32 0.00 -0.03 0.00 0.00 56.01 54.26 1mx1 n LEU 5308Cb 0.48 -0.33 -0.16 0.00 -2.33 0.00 0.00 43.42 41.08 1mx1 n LEU 5308CO 0.56 0.73 -0.52 -1.58 -1.33 0.00 0.00 177.39 175.24 1mx1 s GLN 5309N -1.34 2.88 1.95 3.23 -0.44 -1.26 -5.05 119.66 119.64 1mx1 s GLN 5309Ca 0.38 -0.82 0.00 0.00 -2.50 0.00 0.00 55.36 52.42 1mx1 s GLN 5309Cb 0.21 -2.33 0.00 0.00 -1.64 0.00 0.00 33.01 29.24 1mx1 s GLN 5309CO 0.28 0.31 0.00 0.41 0.50 0.00 0.00 175.29 176.79 1mx1 n GLY 5310N 3.17 -0.17 3.61 2.59 0.00 -1.26 -4.82 105.19 108.31 1mx1 n GLY 5310Ca -0.18 -1.36 -0.39 0.00 0.00 0.00 0.00 46.02 44.09 1mx1 n GLY 5310CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1mx1 s ASP 5311N -4.00 6.24 0.46 1.61 -1.08 -1.26 -4.97 116.67 113.66 1mx1 s ASP 5311Ca 0.00 0.27 0.22 0.00 -0.52 0.00 0.00 52.55 52.51 1mx1 s ASP 5311Cb 0.00 -2.20 1.21 0.00 -1.46 0.00 0.00 42.92 40.47 1mx1 s ASP 5311CO 0.00 -0.15 1.88 -0.65 0.52 0.00 0.00 175.17 176.77 1mx1 h PRO 5312N 8.12 0.26 0.00 4.34 0.11 -1.88 -2.03 132.00 140.93 1mx1 h PRO 5312Ca -0.32 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.73 1mx1 h PRO 5312Cb 1.17 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 1mx1 h PRO 5312CO 0.64 0.17 -0.19 0.00 -0.21 0.00 0.00 178.00 178.42 1mx1 h ARG 5313N 0.27 0.00 -0.55 1.05 3.08 -1.93 -2.47 114.38 113.83 1mx1 h ARG 5313Ca 0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.48 1mx1 h ARG 5313Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.31 1mx1 h ARG 5313CO -0.11 0.19 0.00 -0.85 -1.07 0.00 0.00 179.97 178.12 1mx1 n GLU 5314N -3.93 2.34 -2.85 0.04 0.28 -0.76 -4.92 120.64 110.84 1mx1 n GLU 5314Ca -0.02 -1.94 -0.40 0.00 -0.16 0.00 0.00 57.16 54.64 1mx1 n GLU 5314Cb 0.27 -1.46 -0.06 0.00 1.43 0.00 0.00 31.44 31.63 1mx1 n GLU 5314CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 1mx1 s SER 5315N -0.97 7.52 -0.40 -1.84 0.01 -0.93 -5.04 113.70 112.06 1mx1 s SER 5315Ca 0.36 1.80 0.01 0.00 1.31 0.00 0.00 55.95 59.43 1mx1 s SER 5315Cb 0.19 -2.56 0.14 0.00 0.21 0.00 0.00 66.02 64.00 1mx1 s SER 5315CO 0.23 0.16 0.22 -1.10 0.41 0.00 0.00 173.24 173.16 1mx1 s GLN 5316N -1.03 0.97 0.29 12.44 -1.52 -1.26 -4.81 119.66 124.74 1mx1 s GLN 5316Ca 0.39 -1.70 0.26 0.00 -1.95 0.00 0.00 55.36 52.36 1mx1 s GLN 5316Cb -0.24 -1.90 0.91 0.00 -0.22 0.00 0.00 33.01 31.55 1mx1 s GLN 5316CO 0.29 -1.18 1.76 -1.00 -0.25 0.00 0.00 175.29 174.92 1mx1 h PRO 5317N 6.88 0.00 -3.54 2.91 0.13 -1.92 -3.45 132.00 133.01 1mx1 h PRO 5317Ca 0.01 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.08 1mx1 h PRO 5317Cb 0.95 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 31.95 1mx1 h PRO 5317CO 0.39 0.00 -0.16 -0.51 -0.23 0.00 0.00 178.00 177.49 1mx1 s LEU 5318N -4.86 0.69 -0.25 1.56 1.43 -1.26 0.65 118.68 116.64 1mx1 s LEU 5318Ca 0.06 -0.47 -0.05 0.00 -1.03 0.00 0.00 54.13 52.64 1mx1 s LEU 5318Cb 0.10 1.59 -0.01 0.00 0.03 0.00 0.00 46.19 47.91 1mx1 s LEU 5318CO 0.51 -0.84 0.01 -0.76 0.23 0.00 0.00 176.35 175.50 1mx1 s LEU 5319N -2.84 3.28 0.00 1.79 1.43 -1.26 -5.08 118.68 116.00 1mx1 s LEU 5319Ca 0.05 -0.46 0.00 0.00 -1.03 0.00 0.00 54.13 52.69 1mx1 s LEU 5319Cb 0.03 -1.81 0.00 0.00 0.03 0.00 0.00 46.19 44.43 1mx1 s LEU 5319CO -0.10 -0.07 0.00 0.61 0.23 0.00 0.00 176.35 177.02 1mx1 n GLY 5320N 4.83 5.68 3.75 -3.19 0.00 -1.26 -4.78 105.19 110.22 1mx1 n GLY 5320Ca -0.17 -1.54 -0.41 0.00 0.00 0.00 0.00 46.02 43.90 1mx1 n GLY 5320CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mx1 s THR 5321N 0.86 2.61 0.34 2.61 2.01 0.07 -4.76 115.64 119.38 1mx1 s THR 5321Ca 0.00 0.52 0.05 0.00 0.31 0.00 0.00 61.69 62.57 1mx1 s THR 5321Cb 0.00 -3.33 -0.07 0.00 0.01 0.00 0.00 72.50 69.11 1mx1 s THR 5321CO 0.00 0.08 0.02 0.68 -0.69 0.00 0.00 174.62 174.72 1mx1 s VAL 5322N -0.01 1.48 -0.99 3.82 -7.23 -1.26 0.60 120.40 116.81 1mx1 s VAL 5322Ca 0.59 -2.02 -0.15 0.00 -1.81 0.00 0.00 61.98 58.59 1mx1 s VAL 5322Cb -0.42 -2.78 0.19 0.00 0.56 0.00 0.00 36.38 33.93 1mx1 s VAL 5322CO 0.44 -0.06 1.09 -0.63 -0.31 0.00 0.00 175.10 175.63 1mx1 s ILE 5323N -3.09 5.28 -0.03 -0.62 -1.09 -1.26 -4.74 121.20 115.65 1mx1 s ILE 5323Ca 0.35 -2.39 0.19 0.00 -2.23 0.00 0.00 60.65 56.57 1mx1 s ILE 5323Cb 0.08 -4.69 0.16 0.00 -1.58 0.00 0.00 42.46 36.43 1mx1 s ILE 5323CO 0.16 -1.34 1.64 -2.24 -1.23 0.00 0.00 174.94 171.93 1mx1 h ASP 5324N 7.78 0.00 0.00 3.58 -0.00 -1.83 -3.48 116.42 122.48 1mx1 h ASP 5324Ca 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.21 1mx1 h ASP 5324Cb 0.97 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.30 1mx1 h ASP 5324CO 1.02 0.35 0.00 0.61 -0.00 0.00 0.00 179.24 181.21 1mx1 n GLY 5325N 0.68 0.69 0.97 7.15 0.00 -0.28 -4.88 105.19 109.52 1mx1 n GLY 5325Ca 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.02 1mx1 n GLY 5325CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1mx1 n MET 5326N -2.07 0.04 -0.04 1.61 2.81 -1.26 -4.75 117.12 113.46 1mx1 n MET 5326Ca 0.00 0.02 -0.13 0.00 -1.81 0.00 0.00 57.70 55.77 1mx1 n MET 5326Cb 0.00 -0.57 -0.12 0.00 -0.71 0.00 0.00 33.22 31.82 1mx1 n MET 5326CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 1mx1 h LEU 5327N -0.08 -0.00 -8.07 4.03 5.85 -1.94 -3.44 115.31 111.66 1mx1 h LEU 5327Ca 0.00 -0.76 -0.63 0.00 0.84 0.00 0.00 57.88 57.33 1mx1 h LEU 5327Cb 0.08 0.00 -0.35 0.00 0.37 0.00 0.00 40.66 40.77 1mx1 h LEU 5327CO 0.00 0.77 -0.85 -0.76 -0.34 0.00 0.00 178.44 177.25 1mx1 s LEU 5328N -8.67 1.90 0.19 2.25 1.43 -1.26 -4.23 118.68 110.29 1mx1 s LEU 5328Ca -0.18 -0.52 0.19 0.00 -1.03 0.00 0.00 54.13 52.59 1mx1 s LEU 5328Cb -0.01 -1.28 -0.00 0.00 0.03 0.00 0.00 46.19 44.93 1mx1 s LEU 5328CO 0.68 0.03 1.09 -0.07 0.23 0.00 0.00 176.35 178.31 1mx1 h LEU 5329N 7.51 0.00 -8.41 1.79 3.38 -1.85 -0.73 115.31 117.00 1mx1 h LEU 5329Ca -0.34 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.48 1mx1 h LEU 5329Cb 1.17 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.81 1mx1 h LEU 5329CO 0.53 0.29 -0.33 -0.54 0.09 0.00 0.00 178.44 178.48 1mx1 s LYS 5330N -3.13 1.42 0.66 1.13 1.02 -1.26 -4.80 119.74 114.79 1mx1 s LYS 5330Ca 0.00 -1.44 -0.16 0.00 0.02 0.00 0.00 55.97 54.39 1mx1 s LYS 5330Cb 0.08 0.38 0.00 0.00 -0.52 0.00 0.00 37.83 37.78 1mx1 s LYS 5330CO 0.78 -0.55 1.17 0.95 -0.92 0.00 0.00 175.35 176.79 1mx1 s THR 5331N -4.03 2.71 0.32 2.17 -4.23 -1.26 -4.76 115.64 106.57 1mx1 s THR 5331Ca 0.30 0.37 0.08 0.00 -1.18 0.00 0.00 61.69 61.26 1mx1 s THR 5331Cb 0.03 -2.98 0.31 0.00 1.34 0.00 0.00 72.50 71.20 1mx1 s THR 5331CO 0.11 -0.16 1.80 -0.65 -0.54 0.00 0.00 174.62 175.18 1mx1 h PRO 5332N 0.21 0.70 0.37 3.99 0.11 -1.99 -1.15 132.00 134.24 1mx1 h PRO 5332Ca -0.48 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.58 1mx1 h PRO 5332Cb 1.28 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1mx1 h PRO 5332CO 0.53 0.46 -0.26 0.93 -0.21 0.00 0.00 178.00 179.45 1mx1 h GLU 5333N 0.72 -0.59 -0.54 1.05 3.07 -1.92 -1.07 114.58 115.29 1mx1 h GLU 5333Ca 0.55 0.04 0.03 0.00 -0.50 0.00 0.00 59.36 59.48 1mx1 h GLU 5333Cb 0.91 0.13 -0.04 0.00 -0.84 0.00 0.00 28.75 28.91 1mx1 h GLU 5333CO -0.33 -0.39 0.31 0.93 -1.40 0.00 0.00 179.01 178.13 1mx1 h GLU 5334N -0.61 0.59 -0.18 2.33 5.08 -1.73 -1.20 114.58 118.85 1mx1 h GLU 5334Ca -0.03 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 1mx1 h GLU 5334Cb 0.52 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 1mx1 h GLU 5334CO 0.01 0.39 0.04 -0.07 -1.00 0.00 0.00 179.01 178.38 1mx1 h LEU 5335N 0.60 0.22 -0.26 1.33 3.38 -1.02 -1.24 115.31 118.33 1mx1 h LEU 5335Ca 0.23 -0.02 -0.21 0.00 0.09 0.00 0.00 57.88 57.97 1mx1 h LEU 5335Cb 0.08 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 1mx1 h LEU 5335CO -0.12 0.23 -0.88 1.56 0.09 0.00 0.00 178.44 179.31 1mx1 h GLN 5336N 0.25 0.30 0.00 1.13 4.20 -0.43 -2.00 115.11 118.56 1mx1 h GLN 5336Ca 0.06 -0.32 -0.08 0.00 0.06 0.00 0.00 58.65 58.37 1mx1 h GLN 5336Cb 0.10 0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 1mx1 h GLN 5336CO -0.00 1.01 -0.39 0.00 -0.67 0.00 0.00 178.83 178.78 1mx1 h ALA 5337N 0.88 1.34 -0.07 3.87 0.00 -0.34 -1.86 119.26 123.08 1mx1 h ALA 5337Ca -0.06 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1mx1 h ALA 5337Cb 1.51 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.24 1mx1 h ALA 5337CO 0.14 0.48 0.00 0.39 0.00 0.00 0.00 179.25 180.27 1mx1 n GLU 5338N -4.06 1.65 -3.83 0.00 1.02 -0.56 -4.89 120.64 109.98 1mx1 n GLU 5338Ca -0.02 -0.95 -0.30 0.00 -0.02 0.00 0.00 57.16 55.87 1mx1 n GLU 5338Cb 0.42 -1.45 -0.02 0.00 -0.02 0.00 0.00 31.44 30.37 1mx1 n GLU 5338CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1mx1 n ARG 5339N 0.16 -2.97 -3.50 3.49 1.74 -0.70 -4.87 116.66 110.01 1mx1 n ARG 5339Ca 0.18 0.36 -0.42 0.00 -0.77 0.00 0.00 57.85 57.20 1mx1 n ARG 5339Cb 0.33 -5.05 -0.06 0.00 -1.02 0.00 0.00 32.46 26.66 1mx1 n ARG 5339CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1mx1 s ASN 5340N -2.98 6.04 -0.03 0.55 2.47 -0.77 -5.00 114.94 115.22 1mx1 s ASN 5340Ca 0.58 -2.64 -0.31 0.00 0.42 0.00 0.00 52.86 50.92 1mx1 s ASN 5340Cb -0.32 -2.05 0.11 0.00 -1.45 0.00 0.00 41.25 37.54 1mx1 s ASN 5340CO 0.72 -0.52 1.17 0.72 -3.72 0.00 0.00 177.10 175.46 1mx1 s PHE 5341N 0.26 -0.11 -0.11 0.43 -0.12 -1.26 -4.75 117.98 112.31 1mx1 s PHE 5341Ca 0.16 -0.01 -0.29 0.00 -0.05 0.00 0.00 56.93 56.73 1mx1 s PHE 5341Cb -0.17 0.55 -0.04 0.00 -0.63 0.00 0.00 43.02 42.74 1mx1 s PHE 5341CO -0.05 -0.38 1.57 -1.01 -0.05 0.00 0.00 175.22 175.29 1mx1 s HIS 5342N -2.65 2.18 -1.17 3.49 3.76 -0.10 -4.91 115.29 115.88 1mx1 s HIS 5342Ca 0.11 0.43 -0.05 0.00 -0.15 0.00 0.00 55.06 55.40 1mx1 s HIS 5342Cb 0.02 -3.84 0.09 0.00 1.11 0.00 0.00 32.58 29.96 1mx1 s HIS 5342CO -0.04 -3.24 2.50 0.25 -0.85 0.00 0.00 174.74 173.36 1mx1 n THR 5343N 5.63 4.85 -2.99 1.30 -2.24 -1.26 -4.94 114.28 114.63 1mx1 n THR 5343Ca 0.17 -3.96 -0.24 0.00 -2.27 0.00 0.00 64.05 57.74 1mx1 n THR 5343Cb 0.44 -2.02 0.00 0.00 -2.10 0.00 0.00 70.33 66.65 1mx1 n THR 5343CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1mx1 s VAL 5344N -1.12 4.50 0.25 2.28 -7.23 -1.26 -4.72 120.40 113.10 1mx1 s VAL 5344Ca 0.56 -0.30 -0.31 0.00 -1.81 0.00 0.00 61.98 60.12 1mx1 s VAL 5344Cb 0.22 -3.67 -0.13 0.00 0.56 0.00 0.00 36.38 33.36 1mx1 s VAL 5344CO -0.11 -0.52 1.47 -2.65 -0.31 0.00 0.00 175.10 172.98 1mx1 n PRO 5345N -2.07 2.23 -3.83 4.82 -0.02 -1.26 -4.57 135.00 130.30 1mx1 n PRO 5345Ca -0.00 0.80 -0.24 0.00 -2.02 0.00 0.00 63.50 62.03 1mx1 n PRO 5345Cb 0.57 -2.49 -0.17 0.00 -0.02 0.00 0.00 33.50 31.38 1mx1 n PRO 5345CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1mx1 s TYR 5346N -0.00 0.96 -0.24 6.00 6.04 -0.22 -1.68 117.35 128.21 1mx1 s TYR 5346Ca 0.67 -0.37 -0.09 0.00 0.04 0.00 0.00 57.07 57.32 1mx1 s TYR 5346Cb -0.60 -0.95 -0.04 0.00 -1.04 0.00 0.00 41.96 39.32 1mx1 s TYR 5346CO 0.49 -0.39 0.11 1.41 -1.54 0.00 0.00 175.55 175.62 1mx1 s MET 5347N 1.84 3.86 -0.10 4.97 -2.45 -0.17 -1.76 119.30 125.48 1mx1 s MET 5347Ca 0.04 -0.38 0.02 0.00 -1.25 0.00 0.00 55.69 54.13 1mx1 s MET 5347Cb -0.12 -3.40 0.01 0.00 1.25 0.00 0.00 34.83 32.57 1mx1 s MET 5347CO -0.06 -0.04 -0.17 0.08 1.05 0.00 0.00 175.02 175.88 1mx1 s VAL 5348N 1.27 1.61 0.15 10.11 1.01 0.58 -1.10 120.40 134.03 1mx1 s VAL 5348Ca 0.06 -0.73 -0.01 0.00 0.00 0.00 0.00 61.98 61.30 1mx1 s VAL 5348Cb -0.14 -1.45 -0.04 0.00 0.00 0.00 0.00 36.38 34.75 1mx1 s VAL 5348CO 0.05 0.46 0.06 -0.83 0.00 0.00 0.00 175.10 174.84 1mx1 s GLY 5349N 0.79 1.12 0.14 4.51 0.00 -0.64 -2.82 107.32 110.43 1mx1 s GLY 5349Ca -0.10 -1.54 -0.01 0.00 0.00 0.00 0.00 44.72 43.07 1mx1 s GLY 5349CO 0.01 -1.40 0.05 -0.26 0.00 0.00 0.00 173.10 171.50 1mx1 s ILE 5350N -4.01 0.18 0.21 0.90 -4.36 -0.99 -0.95 121.20 112.18 1mx1 s ILE 5350Ca 0.27 -1.92 0.06 0.00 -0.26 0.00 0.00 60.65 58.80 1mx1 s ILE 5350Cb 0.07 -2.06 -0.04 0.00 1.25 0.00 0.00 42.46 41.69 1mx1 s ILE 5350CO 0.04 -0.46 0.21 0.20 0.24 0.00 0.00 174.94 175.17 1mx1 s ASN 5351N -3.07 5.73 0.21 4.36 0.02 -1.26 -0.91 114.94 120.03 1mx1 s ASN 5351Ca 0.24 -0.11 -0.09 0.00 -1.02 0.00 0.00 52.86 51.88 1mx1 s ASN 5351Cb 0.07 -1.54 0.31 0.00 0.02 0.00 0.00 41.25 40.11 1mx1 s ASN 5351CO 0.02 0.00 1.71 0.50 0.02 0.00 0.00 177.10 179.36 1mx1 h LYS 5352N 1.84 0.29 -2.14 -0.60 1.63 -0.07 -3.28 116.57 114.23 1mx1 h LYS 5352Ca -0.49 -0.02 -0.58 0.00 -0.85 0.00 0.00 60.65 58.72 1mx1 h LYS 5352Cb 1.22 -0.07 -0.41 0.00 -0.60 0.00 0.00 32.23 32.37 1mx1 h LYS 5352CO 0.62 0.19 -0.78 1.04 -3.45 0.00 0.00 179.45 177.07 1mx1 n GLN 5353N -5.10 2.07 -0.35 1.90 6.02 0.24 -4.95 117.38 117.21 1mx1 n GLN 5353Ca 0.09 -4.23 0.27 0.00 -0.01 0.00 0.00 57.00 53.12 1mx1 n GLN 5353Cb 0.32 -1.95 0.56 0.00 1.02 0.00 0.00 30.24 30.19 1mx1 n GLN 5353CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1mx1 h GLU 5354N 3.80 0.28 -0.60 -1.09 4.39 -1.67 0.21 114.58 119.92 1mx1 h GLU 5354Ca 0.15 -0.02 -0.38 0.00 0.34 0.00 0.00 59.36 59.45 1mx1 h GLU 5354Cb 0.71 -0.06 -0.23 0.00 -0.10 0.00 0.00 28.75 29.07 1mx1 h GLU 5354CO 0.71 0.19 -0.09 0.34 -1.16 0.00 0.00 179.01 179.00 1mx1 n PHE 5355N -4.62 1.98 0.05 4.33 -0.00 -1.26 -3.75 117.46 114.18 1mx1 n PHE 5355Ca 0.28 -2.04 -0.16 0.00 -0.00 0.00 0.00 57.45 55.53 1mx1 n PHE 5355Cb 1.04 -0.64 -0.06 0.00 -0.00 0.00 0.00 39.48 39.81 1mx1 n PHE 5355CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.76 177.54 1mx1 h GLY 5356N 1.49 0.62 0.00 7.13 0.00 -0.91 -3.45 103.07 107.95 1mx1 h GLY 5356Ca 0.35 -1.04 0.00 0.00 0.00 0.00 0.00 47.33 46.64 1mx1 h GLY 5356CO 0.73 0.92 0.00 1.87 0.00 0.00 0.00 176.54 180.06 1mx1 n TRP 5357N -3.81 -3.70 0.04 5.60 -0.00 -1.26 -5.00 117.44 109.31 1mx1 n TRP 5357Ca -0.08 0.96 -0.16 0.00 -0.00 0.00 0.00 57.50 58.22 1mx1 n TRP 5357Cb 0.83 2.54 -0.10 0.00 -0.00 0.00 0.00 31.31 34.58 1mx1 n TRP 5357CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 177.69 178.94 1mx1 h LEU 5358N 0.00 -1.66 0.59 5.87 5.85 -1.90 -1.62 115.31 122.44 1mx1 h LEU 5358Ca 0.00 0.19 -0.03 0.00 0.84 0.00 0.00 57.88 58.88 1mx1 h LEU 5358Cb 0.00 0.63 0.01 0.00 0.37 0.00 0.00 40.66 41.67 1mx1 h LEU 5358CO 0.00 -0.51 -0.28 0.40 -0.34 0.00 0.00 178.44 177.71 1mx1 h ILE 5359N -0.65 0.42 -0.03 4.05 2.04 -1.92 -0.23 117.51 121.20 1mx1 h ILE 5359Ca 0.02 -0.02 0.01 0.00 1.00 0.00 0.00 64.86 65.86 1mx1 h ILE 5359Cb 0.71 0.43 -0.00 0.00 -0.74 0.00 0.00 36.82 37.22 1mx1 h ILE 5359CO -0.37 0.00 0.03 1.55 0.00 0.00 0.00 178.15 179.36 1mx1 h PRO 5360N -0.80 0.00 0.03 2.37 0.13 -1.86 0.48 132.00 132.35 1mx1 h PRO 5360Ca -0.08 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.05 1mx1 h PRO 5360Cb 0.61 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.74 1mx1 h PRO 5360CO 0.13 0.00 -0.02 1.98 -0.23 0.00 0.00 178.00 179.87 1mx1 h MET 5361N 0.00 -0.04 0.00 0.86 -1.53 -0.90 0.25 114.93 113.56 1mx1 h MET 5361Ca 0.01 0.00 -0.03 0.00 -3.44 0.00 0.00 59.70 56.25 1mx1 h MET 5361Cb 0.07 0.01 -0.00 0.00 -0.55 0.00 0.00 31.60 31.12 1mx1 h MET 5361CO -0.00 0.52 -0.12 -0.07 0.14 0.00 0.00 176.91 177.37 1mx1 h LEU 5363N -0.64 0.00 -2.79 3.39 3.38 -0.40 -2.58 115.31 115.67 1mx1 h LEU 5363Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1mx1 h LEU 5363Cb 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1mx1 h LEU 5363CO 0.01 0.12 0.00 0.23 0.09 0.00 0.00 178.44 178.89 1mx1 n MET 5364N -3.39 3.20 -3.88 1.13 2.81 0.10 -4.77 117.12 112.32 1mx1 n MET 5364Ca -0.01 -2.63 -0.30 0.00 -1.81 0.00 0.00 57.70 52.95 1mx1 n MET 5364Cb 0.31 -1.74 0.01 0.00 -0.71 0.00 0.00 33.22 31.09 1mx1 n MET 5364CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1mx1 n SER 5365N 1.26 -4.44 -4.71 7.83 7.64 -0.97 -1.92 113.62 118.31 1mx1 n SER 5365Ca 0.24 -0.76 -0.42 0.00 1.01 0.00 0.00 58.87 58.94 1mx1 n SER 5365Cb 0.75 -3.57 -0.03 0.00 -1.01 0.00 0.00 64.21 60.35 1mx1 n SER 5365CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1mx1 n TYR 5366N -4.52 2.71 -1.12 1.43 9.36 0.83 -4.78 117.16 121.06 1mx1 n TYR 5366Ca 0.04 -0.07 -0.33 0.00 3.32 0.00 0.00 57.90 60.86 1mx1 n TYR 5366Cb 0.52 -2.71 -0.02 0.00 -0.63 0.00 0.00 39.34 36.50 1mx1 n TYR 5366CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1mx1 n PRO 5367N 4.83 2.72 -3.57 2.98 -0.04 -1.26 -4.70 135.00 135.96 1mx1 n PRO 5367Ca 0.17 -1.92 -0.27 0.00 -0.04 0.00 0.00 63.50 61.44 1mx1 n PRO 5367Cb 0.36 -2.74 -0.10 0.00 -0.04 0.00 0.00 33.50 30.98 1mx1 n PRO 5367CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1mx1 n LEU 5368N 4.60 1.97 -2.90 1.53 7.94 -1.26 -4.96 117.00 123.92 1mx1 n LEU 5368Ca 0.59 -5.00 -0.31 0.00 -1.11 0.00 0.00 56.01 50.18 1mx1 n LEU 5368Cb 0.23 -0.24 -0.01 0.00 0.53 0.00 0.00 43.42 43.94 1mx1 n LEU 5368CO 0.83 1.89 0.55 -0.24 -1.11 0.00 0.00 177.39 179.31 1mx1 n SER 5369N 1.84 5.42 0.00 1.96 2.88 -1.26 -4.69 113.62 119.77 1mx1 n SER 5369Ca 0.25 -3.72 0.00 0.00 -1.33 0.00 0.00 58.87 54.07 1mx1 n SER 5369Cb 0.42 -0.69 0.00 0.00 -0.75 0.00 0.00 64.21 63.19 1mx1 n SER 5369CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1mx1 n GLU 5370N -0.33 0.00 -0.44 -1.46 -0.58 -1.26 -4.98 120.64 111.58 1mx1 n GLU 5370Ca 0.39 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.13 1mx1 n GLU 5370Cb 0.44 -0.29 0.00 0.00 -0.57 0.00 0.00 31.44 31.01 1mx1 n GLU 5370CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1mx1 n GLY 5371N 0.17 2.04 3.81 0.62 0.00 -1.26 -4.97 105.19 105.60 1mx1 n GLY 5371Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1mx1 n GLY 5371CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1mx1 s GLN 5372N -0.01 3.05 -0.30 1.61 -1.52 -1.24 -3.16 119.66 118.08 1mx1 s GLN 5372Ca 0.00 -0.59 -0.13 0.00 -1.95 0.00 0.00 55.36 52.69 1mx1 s GLN 5372Cb 0.00 -2.83 0.18 0.00 -0.22 0.00 0.00 33.01 30.14 1mx1 s GLN 5372CO 0.00 0.59 1.01 -1.17 -0.25 0.00 0.00 175.29 175.47 1mx1 s LEU 5373N -2.28 -0.55 0.41 2.90 2.96 0.09 -4.87 118.68 117.34 1mx1 s LEU 5373Ca 0.29 0.47 -0.02 0.00 -0.22 0.00 0.00 54.13 54.66 1mx1 s LEU 5373Cb -0.12 1.51 -0.03 0.00 0.50 0.00 0.00 46.19 48.05 1mx1 s LEU 5373CO 0.22 -0.10 0.66 1.51 -1.32 0.00 0.00 176.35 177.31 1mx1 s ASP 5374N 2.75 6.21 0.40 3.68 -4.77 -1.26 -4.45 116.67 119.22 1mx1 s ASP 5374Ca 0.01 0.60 0.07 0.00 -3.30 0.00 0.00 52.55 49.93 1mx1 s ASP 5374Cb -0.09 -2.04 0.82 0.00 -1.09 0.00 0.00 42.92 40.52 1mx1 s ASP 5374CO -0.14 -0.47 2.00 1.56 0.70 0.00 0.00 175.17 178.82 1mx1 h GLN 5375N 0.50 0.45 -0.44 2.11 4.20 -1.98 0.30 115.11 120.25 1mx1 h GLN 5375Ca -0.48 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.17 1mx1 h GLN 5375Cb 1.22 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.89 1mx1 h GLN 5375CO 0.61 0.38 0.26 -0.22 -0.67 0.00 0.00 178.83 179.19 1mx1 h LYS 5376N 0.45 0.60 -0.20 1.46 3.64 -2.00 0.77 116.57 121.29 1mx1 h LYS 5376Ca 0.11 -0.05 -0.14 0.00 -1.27 0.00 0.00 60.65 59.30 1mx1 h LYS 5376Cb 0.10 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 1mx1 h LYS 5376CO -0.01 0.44 -0.46 1.15 -2.27 0.00 0.00 179.45 178.29 1mx1 h THR 5377N 0.58 1.31 -0.73 1.00 2.02 -1.81 -2.88 112.91 112.40 1mx1 h THR 5377Ca 0.16 -1.67 -0.04 0.00 0.77 0.00 0.00 66.41 65.63 1mx1 h THR 5377Cb -0.00 1.67 -0.03 0.00 -1.74 0.00 0.00 68.15 68.04 1mx1 h THR 5377CO -0.03 0.52 0.31 0.00 0.37 0.00 0.00 175.52 176.69 1mx1 h ALA 5378N 1.09 0.95 -0.47 6.16 0.00 -0.45 -2.00 119.26 124.54 1mx1 h ALA 5378Ca 0.02 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 1mx1 h ALA 5378Cb 0.97 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1mx1 h ALA 5378CO 0.09 0.55 -0.04 0.52 0.00 0.00 0.00 179.25 180.37 1mx1 h MET 5379N 1.04 0.81 -0.27 0.00 2.86 -0.73 -1.23 114.93 117.42 1mx1 h MET 5379Ca 0.25 -0.24 -0.06 0.00 -2.06 0.00 0.00 59.70 57.59 1mx1 h MET 5379Cb 0.18 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.75 1mx1 h MET 5379CO -0.02 0.84 -0.08 0.77 1.06 0.00 0.00 176.91 179.47 1mx1 h SER 5380N 0.75 0.54 -0.43 1.22 0.02 -1.28 -2.09 113.55 112.28 1mx1 h SER 5380Ca 0.14 -0.38 -0.05 0.00 -0.84 0.00 0.00 61.79 60.66 1mx1 h SER 5380Cb 0.51 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.87 1mx1 h SER 5380CO 0.03 0.79 0.09 -0.07 -1.14 0.00 0.00 176.83 176.53 1mx1 h LEU 5381N 0.28 0.72 -1.03 5.07 3.38 -1.24 -1.20 115.31 121.28 1mx1 h LEU 5381Ca 0.07 -0.13 -0.08 0.00 0.09 0.00 0.00 57.88 57.82 1mx1 h LEU 5381Cb 0.57 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 1mx1 h LEU 5381CO 0.03 0.73 -0.14 0.25 0.09 0.00 0.00 178.44 179.40 1mx1 h LEU 5382N 0.74 0.52 -0.20 1.67 5.85 -1.10 -0.48 115.31 122.30 1mx1 h LEU 5382Ca 0.16 -0.14 -0.09 0.00 0.84 0.00 0.00 57.88 58.65 1mx1 h LEU 5382Cb 0.32 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.21 1mx1 h LEU 5382CO 0.00 0.69 -0.23 -0.25 -0.34 0.00 0.00 178.44 178.31 1mx1 h TRP 5383N 0.48 0.62 0.00 1.25 -0.00 -0.75 -2.62 115.95 114.94 1mx1 h TRP 5383Ca 0.09 -0.19 -0.02 0.00 -0.00 0.00 0.00 58.89 58.76 1mx1 h TRP 5383Cb 0.53 -0.13 -0.00 0.00 -0.00 0.00 0.00 29.16 29.56 1mx1 h TRP 5383CO 0.02 0.88 -0.10 0.87 -0.00 0.00 0.00 178.44 180.11 1mx1 h LYS 5384N 0.18 0.00 -0.63 2.65 1.79 -0.95 -1.78 116.57 117.83 1mx1 h LYS 5384Ca 0.03 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.50 1mx1 h LYS 5384Cb 0.78 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.43 1mx1 h LYS 5384CO 0.06 0.10 0.00 0.43 -1.08 0.00 0.00 179.45 178.95 1mx1 n SER 5385N -3.97 0.99 -0.22 0.86 7.64 -0.22 -4.37 113.62 114.34 1mx1 n SER 5385Ca -0.02 -2.05 0.03 0.00 1.01 0.00 0.00 58.87 57.83 1mx1 n SER 5385Cb 0.19 -0.34 0.14 0.00 -1.01 0.00 0.00 64.21 63.19 1mx1 n SER 5385CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 1mx1 h TYR 5386N 0.34 0.33 -0.05 1.43 3.20 -1.33 0.16 116.97 121.05 1mx1 h TYR 5386Ca 0.00 0.04 0.01 0.00 3.14 0.00 0.00 58.73 61.92 1mx1 h TYR 5386Cb 0.42 -0.04 -0.00 0.00 1.54 0.00 0.00 36.73 38.64 1mx1 h TYR 5386CO 0.07 0.00 0.08 -1.00 -1.64 0.00 0.00 178.16 175.68 1mx1 h PRO 5387N 0.33 0.00 0.06 1.82 0.13 -1.76 0.46 132.00 133.04 1mx1 h PRO 5387Ca 0.36 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 65.16 1mx1 h PRO 5387Cb 0.54 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.64 1mx1 h PRO 5387CO -0.41 0.00 -1.85 1.28 -0.23 0.00 0.00 178.00 176.79 1mx1 n LEU 5388N -3.57 2.34 -0.00 1.56 4.77 -0.09 -4.49 117.00 117.52 1mx1 n LEU 5388Ca -0.02 0.26 0.06 0.00 -0.03 0.00 0.00 56.01 56.29 1mx1 n LEU 5388Cb 0.17 -1.02 -0.09 0.00 -2.33 0.00 0.00 43.42 40.15 1mx1 n LEU 5388CO 0.24 0.63 -0.43 1.33 -1.33 0.00 0.00 177.39 177.84 1mx1 n VAL 5389N -3.87 0.00 -3.92 4.08 0.24 -0.41 -4.41 118.33 110.04 1mx1 n VAL 5389Ca -0.36 -0.26 -0.25 0.00 -2.04 0.00 0.00 64.34 61.43 1mx1 n VAL 5389Cb 0.90 0.49 -0.01 0.00 -1.47 0.00 0.00 33.84 33.75 1mx1 n VAL 5389CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1mx1 s ILE 5391N -3.92 5.23 0.37 0.00 1.01 -1.26 -5.05 121.20 117.58 1mx1 s ILE 5391Ca 0.02 -0.28 -0.25 0.00 0.00 0.00 0.00 60.65 60.13 1mx1 s ILE 5391Cb -0.01 -3.71 -0.12 0.00 0.01 0.00 0.00 42.46 38.63 1mx1 s ILE 5391CO 0.88 -0.04 0.97 0.00 0.00 0.00 0.00 174.94 176.75 1mx1 n ALA 5392N 5.10 -0.11 -0.04 9.38 0.00 -1.26 -4.72 120.51 128.87 1mx1 n ALA 5392Ca -0.13 0.28 0.14 0.00 0.00 0.00 0.00 53.44 53.73 1mx1 n ALA 5392Cb 0.49 -2.03 0.56 0.00 0.00 0.00 0.00 19.45 18.47 1mx1 n ALA 5392CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1mx1 h LYS 5393N 1.64 0.27 0.00 0.00 3.64 -1.98 0.14 116.57 120.28 1mx1 h LYS 5393Ca -0.42 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 58.94 1mx1 h LYS 5393Cb 1.34 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 33.10 1mx1 h LYS 5393CO 0.58 0.18 -0.02 0.93 -2.27 0.00 0.00 179.45 178.84 1mx1 h GLU 5394N 0.28 0.00 0.00 1.90 3.07 -2.04 -2.90 114.58 114.89 1mx1 h GLU 5394Ca 0.26 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.12 1mx1 h GLU 5394Cb 0.64 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.55 1mx1 h GLU 5394CO -0.06 0.02 -0.92 1.28 -1.40 0.00 0.00 179.01 177.93 1mx1 n LEU 5395N -3.12 0.82 -0.19 1.33 4.77 0.46 -4.47 117.00 116.60 1mx1 n LEU 5395Ca 0.00 -0.34 0.00 0.00 -0.03 0.00 0.00 56.01 55.65 1mx1 n LEU 5395Cb 0.31 -0.06 0.10 0.00 -2.33 0.00 0.00 43.42 41.43 1mx1 n LEU 5395CO 0.28 0.20 0.87 0.40 -1.33 0.00 0.00 177.39 177.80 1mx1 h ILE 5396N 0.00 0.58 -0.05 -0.08 1.08 -1.22 -2.41 117.51 115.40 1mx1 h ILE 5396Ca 0.00 -0.06 0.02 0.00 -0.39 0.00 0.00 64.86 64.43 1mx1 h ILE 5396Cb 0.53 0.39 -0.02 0.00 -3.07 0.00 0.00 36.82 34.65 1mx1 h ILE 5396CO 0.00 0.03 -0.06 -0.65 -0.69 0.00 0.00 178.15 176.78 1mx1 h PRO 5397N 0.17 -0.08 -0.11 2.37 0.11 -1.78 -0.39 132.00 132.29 1mx1 h PRO 5397Ca 0.30 0.01 0.02 0.00 0.11 0.00 0.00 66.00 66.44 1mx1 h PRO 5397Cb 0.47 0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.58 1mx1 h PRO 5397CO -0.45 -0.06 -0.04 0.93 -0.21 0.00 0.00 178.00 178.18 1mx1 h GLU 5398N -0.09 -0.01 -0.13 1.05 5.08 -1.79 -0.15 114.58 118.54 1mx1 h GLU 5398Ca 0.04 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.43 1mx1 h GLU 5398Cb 0.15 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.38 1mx1 h GLU 5398CO -0.11 -0.01 -0.04 0.00 -1.00 0.00 0.00 179.01 177.86 1mx1 h ALA 5399N 1.10 0.08 -0.27 3.43 0.00 -1.31 0.57 119.26 122.87 1mx1 h ALA 5399Ca 0.06 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.03 1mx1 h ALA 5399Cb 0.10 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1mx1 h ALA 5399CO -0.12 -0.49 0.16 1.15 0.00 0.00 0.00 179.25 179.95 1mx1 h THR 5400N -0.01 1.04 -0.51 0.00 2.02 -0.85 -2.49 112.91 112.12 1mx1 h THR 5400Ca 0.07 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 67.13 1mx1 h THR 5400Cb 0.11 0.67 -0.02 0.00 -1.74 0.00 0.00 68.15 67.17 1mx1 h THR 5400CO -0.14 0.06 0.32 -0.08 0.37 0.00 0.00 175.52 176.05 1mx1 h GLU 5401N 0.34 0.68 -0.81 6.66 4.57 -0.78 0.33 114.58 125.57 1mx1 h GLU 5401Ca 0.10 -0.05 0.11 0.00 -1.18 0.00 0.00 59.36 58.35 1mx1 h GLU 5401Cb -0.01 -0.15 -0.08 0.00 -0.16 0.00 0.00 28.75 28.35 1mx1 h GLU 5401CO -0.04 0.47 0.44 -0.22 -1.18 0.00 0.00 179.01 178.48 1mx1 h LYS 5402N 0.68 0.67 0.10 1.92 1.63 -0.62 0.24 116.57 121.19 1mx1 h LYS 5402Ca 0.18 -0.04 -0.29 0.00 -0.85 0.00 0.00 60.65 59.65 1mx1 h LYS 5402Cb -0.04 -0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 31.42 1mx1 h LYS 5402CO -0.04 0.44 -1.53 1.88 -3.45 0.00 0.00 179.45 176.76 1mx1 h TYR 5403N 0.69 0.40 0.00 1.91 -1.99 -1.03 -3.41 116.97 113.53 1mx1 h TYR 5403Ca 0.41 -0.29 0.00 0.00 2.00 0.00 0.00 58.73 60.85 1mx1 h TYR 5403Cb 0.48 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 39.19 1mx1 h TYR 5403CO -0.08 1.60 -1.70 1.28 -0.00 0.00 0.00 178.16 179.26 1mx1 n LEU 5404N -3.89 0.28 -0.34 3.88 4.77 0.11 -4.61 117.00 117.20 1mx1 n LEU 5404Ca -0.27 -0.09 0.16 0.00 -0.03 0.00 0.00 56.01 55.78 1mx1 n LEU 5404Cb 0.91 -0.01 0.38 0.00 -2.33 0.00 0.00 43.42 42.36 1mx1 n LEU 5404CO 0.39 0.04 1.18 1.23 -1.33 0.00 0.00 177.39 178.90 1mx1 h GLY 5405N 4.23 1.79 -1.70 -0.72 0.00 -0.61 -2.91 103.07 103.15 1mx1 h GLY 5405Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.01 1mx1 h GLY 5405CO 0.00 -0.16 0.00 0.61 0.00 0.00 0.00 176.54 176.99 1mx1 n GLY 5406N -1.34 1.59 3.56 4.60 0.00 -1.26 -4.80 105.19 107.54 1mx1 n GLY 5406Ca 0.25 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.16 1mx1 n GLY 5406CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1mx1 s THR 5407N -0.20 0.00 -0.60 2.61 -1.32 -1.10 -5.08 115.64 109.95 1mx1 s THR 5407Ca 0.00 0.00 0.06 0.00 -1.21 0.00 0.00 61.69 60.54 1mx1 s THR 5407Cb 0.00 -1.00 0.30 0.00 -1.51 0.00 0.00 72.50 70.29 1mx1 s THR 5407CO 0.00 0.00 0.84 0.47 -2.21 0.00 0.00 174.62 173.72 1mx1 n ASP 5408N 0.65 3.94 -3.69 8.08 9.92 -1.26 -4.93 116.55 129.26 1mx1 n ASP 5408Ca -0.12 -3.53 -0.24 0.00 -0.53 0.00 0.00 54.79 50.38 1mx1 n ASP 5408Cb 0.58 -0.62 -0.17 0.00 -0.64 0.00 0.00 41.12 40.27 1mx1 n ASP 5408CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 1mx1 s ASP 5409N -2.92 1.89 0.62 -2.24 1.01 -1.26 -4.99 116.67 108.77 1mx1 s ASP 5409Ca 0.44 -0.31 0.30 0.00 0.71 0.00 0.00 52.55 53.69 1mx1 s ASP 5409Cb 0.22 -0.31 1.61 0.00 1.01 0.00 0.00 42.92 45.45 1mx1 s ASP 5409CO -0.08 -0.28 1.97 0.71 0.21 0.00 0.00 175.17 177.71 1mx1 h THR 5410N 6.42 0.25 0.00 -1.27 1.35 -1.88 0.10 112.91 117.88 1mx1 h THR 5410Ca -0.15 0.00 -0.09 0.00 -0.55 0.00 0.00 66.41 65.62 1mx1 h THR 5410Cb 1.13 0.70 -0.01 0.00 -1.73 0.00 0.00 68.15 68.24 1mx1 h THR 5410CO 0.25 0.00 -0.48 0.58 -0.25 0.00 0.00 175.52 175.61 1mx1 h VAL 5411N 0.00 1.42 -0.81 6.82 2.07 -1.85 0.31 116.25 124.22 1mx1 h VAL 5411Ca 0.10 -2.26 0.01 0.00 0.82 0.00 0.00 66.70 65.37 1mx1 h VAL 5411Cb 0.79 2.88 -0.04 0.00 -1.52 0.00 0.00 31.29 33.39 1mx1 h VAL 5411CO -0.00 0.48 0.53 0.11 0.02 0.00 0.00 177.57 178.72 1mx1 h LYS 5412N -1.00 1.07 -1.01 1.57 1.57 -1.61 -2.41 116.57 114.75 1mx1 h LYS 5412Ca -0.13 -0.07 0.02 0.00 -1.87 0.00 0.00 60.65 58.60 1mx1 h LYS 5412Cb 1.10 -0.24 -0.05 0.00 0.08 0.00 0.00 32.23 33.12 1mx1 h LYS 5412CO -0.08 0.71 0.66 0.87 -0.57 0.00 0.00 179.45 181.04 1mx1 h LYS 5413N 1.10 1.30 -0.30 3.15 1.57 -0.99 -0.68 116.57 121.72 1mx1 h LYS 5413Ca 0.30 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.99 1mx1 h LYS 5413Cb -0.12 -0.29 -0.01 0.00 0.08 0.00 0.00 32.23 31.88 1mx1 h LYS 5413CO -0.06 0.86 0.15 -0.22 -0.57 0.00 0.00 179.45 179.61 1mx1 h LYS 5414N 1.34 0.43 -0.65 3.15 3.64 -1.41 0.22 116.57 123.30 1mx1 h LYS 5414Ca 0.38 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.69 1mx1 h LYS 5414Cb -0.11 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.60 1mx1 h LYS 5414CO -0.09 0.39 0.36 -0.44 -2.27 0.00 0.00 179.45 177.39 1mx1 h ASP 5415N 0.36 0.81 0.52 4.20 3.32 -1.12 -1.72 116.42 122.78 1mx1 h ASP 5415Ca 0.10 -0.09 -0.08 0.00 0.02 0.00 0.00 57.03 56.99 1mx1 h ASP 5415Cb 0.09 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 1mx1 h ASP 5415CO -0.02 0.66 -0.37 -0.07 -1.72 0.00 0.00 179.24 177.73 1mx1 h LEU 5416N 0.88 0.00 -0.43 1.55 3.38 -0.86 -1.91 115.31 117.92 1mx1 h LEU 5416Ca 0.23 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.06 1mx1 h LEU 5416Cb 0.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1mx1 h LEU 5416CO -0.04 0.37 -0.25 0.15 0.09 0.00 0.00 178.44 178.76 1mx1 h PHE 5417N 0.00 1.09 -0.43 1.13 3.57 0.17 -1.00 116.94 121.47 1mx1 h PHE 5417Ca -0.00 -0.28 -0.12 0.00 3.53 0.00 0.00 57.97 61.10 1mx1 h PHE 5417Cb 0.73 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.21 1mx1 h PHE 5417CO 0.00 1.09 -0.20 -0.07 -2.23 0.00 0.00 178.31 176.91 1mx1 h LEU 5418N 0.77 0.87 -1.00 0.59 3.38 -1.04 -2.32 115.31 116.56 1mx1 h LEU 5418Ca 0.09 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1mx1 h LEU 5418Cb 0.83 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 41.30 1mx1 h LEU 5418CO 0.07 1.04 0.63 0.44 0.09 0.00 0.00 178.44 180.71 1mx1 h ASP 5419N 0.75 1.15 -0.44 -0.43 3.32 -1.13 -0.98 116.42 118.65 1mx1 h ASP 5419Ca 0.11 -0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.11 1mx1 h ASP 5419Cb 0.73 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 39.97 1mx1 h ASP 5419CO 0.06 0.85 0.27 0.25 -1.72 0.00 0.00 179.24 178.94 1mx1 h LEU 5420N 1.34 0.53 -0.64 1.55 5.85 -0.77 0.55 115.31 123.71 1mx1 h LEU 5420Ca 0.36 -0.05 -0.10 0.00 0.84 0.00 0.00 57.88 58.92 1mx1 h LEU 5420Cb -0.12 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 40.76 1mx1 h LEU 5420CO -0.07 0.42 -0.04 0.40 -0.34 0.00 0.00 178.44 178.81 1mx1 h ILE 5421N 0.59 1.26 -0.45 4.05 1.08 -1.02 -2.58 117.51 120.45 1mx1 h ILE 5421Ca 0.16 -1.19 -0.02 0.00 -0.39 0.00 0.00 64.86 63.42 1mx1 h ILE 5421Cb -0.01 0.87 -0.02 0.00 -3.07 0.00 0.00 36.82 34.59 1mx1 h ILE 5421CO -0.03 0.43 0.20 0.00 -0.69 0.00 0.00 178.15 178.05 1mx1 h ALA 5422N 1.01 0.58 -0.78 1.87 0.00 -0.80 -1.30 119.26 119.84 1mx1 h ALA 5422Ca 0.16 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1mx1 h ALA 5422Cb 0.60 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 1mx1 h ALA 5422CO 0.04 0.17 0.35 -0.44 0.00 0.00 0.00 179.25 179.37 1mx1 h ASP 5423N 0.58 1.03 -0.19 0.00 3.32 -0.80 0.14 116.42 120.51 1mx1 h ASP 5423Ca 0.15 -0.13 -0.11 0.00 0.02 0.00 0.00 57.03 56.96 1mx1 h ASP 5423Cb 0.16 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.44 1mx1 h ASP 5423CO -0.02 0.88 -0.31 0.58 -1.72 0.00 0.00 179.24 178.65 1mx1 h VAL 5424N 1.12 1.34 0.03 -1.35 2.07 -1.25 0.18 116.25 118.38 1mx1 h VAL 5424Ca 0.27 -1.54 -0.23 0.00 0.82 0.00 0.00 66.70 66.02 1mx1 h VAL 5424Cb 0.14 1.87 0.02 0.00 -1.52 0.00 0.00 31.29 31.80 1mx1 h VAL 5424CO -0.03 0.47 -0.93 0.24 0.02 0.00 0.00 177.57 177.34 1mx1 h MET 5425N 0.20 0.57 0.00 1.57 2.86 -1.15 -3.41 114.93 115.59 1mx1 h MET 5425Ca 0.01 -0.66 0.00 0.00 -2.06 0.00 0.00 59.70 57.00 1mx1 h MET 5425Cb 0.90 0.20 0.00 0.00 0.06 0.00 0.00 31.60 32.76 1mx1 h MET 5425CO 0.07 1.26 -0.48 1.19 1.06 0.00 0.00 176.91 180.02 1mx1 n PHE 5426N -3.98 -0.12 -0.00 -0.22 3.01 0.44 -4.49 117.46 112.10 1mx1 n PHE 5426Ca -0.11 0.02 -0.03 0.00 1.01 0.00 0.00 57.45 58.34 1mx1 n PHE 5426Cb 0.83 0.05 -0.02 0.00 -0.01 0.00 0.00 39.48 40.34 1mx1 n PHE 5426CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 1mx1 h GLY 5427N 0.00 -1.51 0.58 1.37 0.00 -1.36 -0.46 103.07 101.69 1mx1 h GLY 5427Ca 0.00 0.69 0.04 0.00 0.00 0.00 0.00 47.33 48.06 1mx1 h GLY 5427CO 0.00 -0.53 -0.08 -2.08 0.00 0.00 0.00 176.54 173.85 1mx1 h VAL 5428N -0.10 0.75 -0.95 4.60 2.07 -0.91 -2.22 116.25 119.48 1mx1 h VAL 5428Ca 0.01 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.62 1mx1 h VAL 5428Cb 0.12 0.75 -0.08 0.00 -1.52 0.00 0.00 31.29 30.57 1mx1 h VAL 5428CO -0.08 0.00 0.59 -0.65 0.02 0.00 0.00 177.57 177.45 1mx1 h PRO 5429N -0.06 0.96 -0.36 1.57 0.11 -1.72 -1.52 132.00 130.97 1mx1 h PRO 5429Ca 0.09 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 66.09 1mx1 h PRO 5429Cb 0.19 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.07 1mx1 h PRO 5429CO -0.20 0.64 0.02 0.77 -0.21 0.00 0.00 178.00 179.01 1mx1 h SER 5430N 0.99 0.61 -0.51 -2.05 0.02 -0.69 -1.59 113.55 110.34 1mx1 h SER 5430Ca 0.45 -0.29 -0.12 0.00 -0.84 0.00 0.00 61.79 60.99 1mx1 h SER 5430Cb 0.35 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.71 1mx1 h SER 5430CO -0.23 0.76 -0.13 0.58 -1.14 0.00 0.00 176.83 176.66 1mx1 h VAL 5431N 0.45 1.27 -0.53 2.27 2.07 -1.11 -0.76 116.25 119.92 1mx1 h VAL 5431Ca 0.11 -1.29 -0.02 0.00 0.82 0.00 0.00 66.70 66.32 1mx1 h VAL 5431Cb 0.43 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 1mx1 h VAL 5431CO 0.01 0.45 0.25 0.40 0.02 0.00 0.00 177.57 178.71 1mx1 h ILE 5432N 0.88 1.20 -0.40 4.57 2.04 -1.21 0.13 117.51 124.72 1mx1 h ILE 5432Ca 0.13 -0.56 -0.03 0.00 1.00 0.00 0.00 64.86 65.41 1mx1 h ILE 5432Cb 0.70 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 37.35 1mx1 h ILE 5432CO 0.05 0.22 0.15 0.58 0.00 0.00 0.00 178.15 179.16 1mx1 h VAL 5433N 0.70 1.20 -0.57 1.67 2.07 -1.13 -1.27 116.25 118.93 1mx1 h VAL 5433Ca 0.18 -0.63 0.03 0.00 0.82 0.00 0.00 66.70 67.10 1mx1 h VAL 5433Cb 0.12 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 30.71 1mx1 h VAL 5433CO -0.02 0.23 0.34 0.00 0.02 0.00 0.00 177.57 178.13 1mx1 h ALA 5434N 1.00 0.73 -0.39 1.67 0.00 -0.77 -1.08 119.26 120.42 1mx1 h ALA 5434Ca 0.13 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1mx1 h ALA 5434Cb 0.21 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1mx1 h ALA 5434CO -0.01 0.06 0.17 0.00 0.00 0.00 0.00 179.25 179.47 1mx1 h ARG 5435N 0.67 0.58 -0.03 0.00 3.08 -0.47 -0.29 114.38 117.92 1mx1 h ARG 5435Ca 0.23 -0.10 -0.06 0.00 0.07 0.00 0.00 59.98 60.12 1mx1 h ARG 5435Cb 0.03 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 1mx1 h ARG 5435CO -0.10 0.54 -0.28 -0.91 -1.07 0.00 0.00 179.97 178.15 1mx1 h ASN 5436N 0.49 0.04 -0.08 7.04 4.21 -0.96 -1.41 115.58 124.91 1mx1 h ASN 5436Ca 0.13 -0.01 -0.14 0.00 1.21 0.00 0.00 56.30 57.49 1mx1 h ASN 5436Cb 0.16 -0.01 0.01 0.00 -1.12 0.00 0.00 38.32 37.36 1mx1 h ASN 5436CO -0.01 0.32 -0.51 -0.74 -1.29 0.00 0.00 177.43 175.20 1mx1 h HIS 5437N 0.04 0.67 -0.42 1.19 2.76 -0.88 -2.91 115.15 115.60 1mx1 h HIS 5437Ca 0.01 -0.30 0.03 0.00 -2.20 0.00 0.00 60.37 57.90 1mx1 h HIS 5437Cb 0.51 -0.10 -0.03 0.00 1.55 0.00 0.00 27.41 29.34 1mx1 h HIS 5437CO 0.00 1.09 0.22 -0.09 -1.30 0.00 0.00 177.93 177.85 1mx1 h ARG 5438N 0.06 0.43 0.00 5.26 2.43 -0.79 -1.66 114.38 120.11 1mx1 h ARG 5438Ca -0.04 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1mx1 h ARG 5438Cb 1.16 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.61 1mx1 h ARG 5438CO 0.10 0.29 0.00 -0.25 -1.51 0.00 0.00 179.97 178.60 1mx1 n ASP 5439N -4.89 0.17 -0.13 -3.80 8.00 -0.56 -1.27 116.55 114.08 1mx1 n ASP 5439Ca 0.02 0.55 0.14 0.00 0.71 0.00 0.00 54.79 56.20 1mx1 n ASP 5439Cb 0.09 -0.58 0.55 0.00 -0.02 0.00 0.00 41.12 41.16 1mx1 n ASP 5439CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1mx1 n ALA 5440N -1.57 2.83 -0.29 2.24 0.00 -0.63 -4.91 120.51 118.17 1mx1 n ALA 5440Ca 0.03 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.18 1mx1 n ALA 5440Cb 0.17 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.32 1mx1 n ALA 5440CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mx1 n GLY 5441N 1.31 0.79 3.88 0.00 0.00 -0.39 -5.03 105.19 105.74 1mx1 n GLY 5441Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 1mx1 n GLY 5441CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mx1 s ALA 5442N -2.19 3.81 0.06 4.61 0.00 -1.18 -5.03 121.76 121.83 1mx1 s ALA 5442Ca 0.00 -0.50 -0.33 0.00 0.00 0.00 0.00 51.96 51.13 1mx1 s ALA 5442Cb 0.00 -2.14 -0.12 0.00 0.00 0.00 0.00 23.12 20.86 1mx1 s ALA 5442CO 0.00 0.61 1.78 -2.30 0.00 0.00 0.00 175.76 175.85 1mx1 n PRO 5443N 1.16 2.37 -4.51 0.00 -0.02 -1.26 -4.31 135.00 128.43 1mx1 n PRO 5443Ca -0.11 0.86 -0.21 0.00 -2.02 0.00 0.00 63.50 62.02 1mx1 n PRO 5443Cb 0.53 -2.70 -0.15 0.00 -0.02 0.00 0.00 33.50 31.15 1mx1 n PRO 5443CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1mx1 s THR 5444N 2.70 0.93 0.02 3.45 2.01 -1.26 -1.05 115.64 122.43 1mx1 s THR 5444Ca 0.85 -0.49 0.02 0.00 0.31 0.00 0.00 61.69 62.38 1mx1 s THR 5444Cb -0.62 -0.79 -0.01 0.00 0.01 0.00 0.00 72.50 71.09 1mx1 s THR 5444CO 0.43 0.27 -0.06 -0.31 -0.69 0.00 0.00 174.62 174.25 1mx1 s TYR 5445N -0.17 0.54 0.08 4.92 2.02 -0.73 0.50 117.35 124.51 1mx1 s TYR 5445Ca 0.03 -0.30 0.03 0.00 -0.37 0.00 0.00 57.07 56.46 1mx1 s TYR 5445Cb -0.06 -0.33 -0.03 0.00 -0.40 0.00 0.00 41.96 41.14 1mx1 s TYR 5445CO -0.00 -0.05 -0.08 -1.64 -1.57 0.00 0.00 175.55 172.20 1mx1 s MET 5446N -0.86 0.72 0.13 -0.62 -1.94 -1.26 -0.30 119.30 115.18 1mx1 s MET 5446Ca -0.04 -1.05 -0.09 0.00 -1.71 0.00 0.00 55.69 52.79 1mx1 s MET 5446Cb -0.06 -0.36 -0.00 0.00 2.01 0.00 0.00 34.83 36.41 1mx1 s MET 5446CO 0.00 0.05 0.25 1.52 -0.01 0.00 0.00 175.02 176.83 1mx1 s TYR 5447N -2.33 0.28 -0.17 -0.03 1.13 -1.13 -1.38 117.35 113.72 1mx1 s TYR 5447Ca 0.01 -0.67 -0.02 0.00 -1.41 0.00 0.00 57.07 54.98 1mx1 s TYR 5447Cb -0.04 -0.05 0.05 0.00 -1.10 0.00 0.00 41.96 40.83 1mx1 s TYR 5447CO -0.01 -0.65 0.02 -2.00 -2.51 0.00 0.00 175.55 170.41 1mx1 s GLU 5448N -3.92 0.69 -0.15 -3.49 2.12 0.16 -2.34 118.70 111.76 1mx1 s GLU 5448Ca 0.12 -0.33 -0.25 0.00 0.36 0.00 0.00 54.97 54.87 1mx1 s GLU 5448Cb 0.04 -1.89 -0.02 0.00 0.26 0.00 0.00 34.13 32.52 1mx1 s GLU 5448CO -0.05 -0.57 0.80 0.12 -0.54 0.00 0.00 175.26 175.03 1mx1 s PHE 5449N 1.87 3.45 -0.35 5.30 5.36 -0.08 -1.47 117.98 132.06 1mx1 s PHE 5449Ca 0.00 1.25 -0.00 0.00 -0.96 0.00 0.00 56.93 57.22 1mx1 s PHE 5449Cb -0.16 -2.97 0.12 0.00 -0.34 0.00 0.00 43.02 39.67 1mx1 s PHE 5449CO -0.07 -0.17 0.17 -1.14 -1.46 0.00 0.00 175.22 172.54 1mx1 s GLN 5450N 1.87 0.74 -0.17 10.12 0.74 0.11 0.23 119.66 133.30 1mx1 s GLN 5450Ca 0.38 -1.29 -0.30 0.00 0.05 0.00 0.00 55.36 54.20 1mx1 s GLN 5450Cb -0.17 -1.79 0.12 0.00 1.10 0.00 0.00 33.01 32.28 1mx1 s GLN 5450CO 0.14 -1.09 0.98 -0.47 -0.55 0.00 0.00 175.29 174.30 1mx1 s TYR 5451N 1.23 -0.40 -0.38 1.67 5.04 -1.26 -4.23 117.35 119.02 1mx1 s TYR 5451Ca 0.14 0.71 -0.05 0.00 -2.44 0.00 0.00 57.07 55.43 1mx1 s TYR 5451Cb -0.20 0.44 0.08 0.00 0.35 0.00 0.00 41.96 42.63 1mx1 s TYR 5451CO -0.14 -0.34 0.17 0.50 -1.34 0.00 0.00 175.55 174.40 1mx1 s ARG 5452N -0.97 2.34 0.57 4.97 3.52 -1.26 -1.67 118.95 126.45 1mx1 s ARG 5452Ca -0.02 -1.54 -0.20 0.00 -0.13 0.00 0.00 55.73 53.85 1mx1 s ARG 5452Cb -0.01 -3.55 -0.04 0.00 -1.56 0.00 0.00 34.95 29.79 1mx1 s ARG 5452CO 0.01 -0.91 1.23 -1.25 -0.81 0.00 0.00 175.30 173.58 1mx1 s PRO 5453N 1.28 3.07 0.00 5.12 0.04 -1.26 -4.89 135.00 138.36 1mx1 s PRO 5453Ca 0.03 1.90 0.20 0.00 0.04 0.00 0.00 61.00 63.17 1mx1 s PRO 5453Cb -0.22 -2.04 0.91 0.00 0.04 0.00 0.00 34.50 33.19 1mx1 s PRO 5453CO -0.01 -1.15 1.62 -1.13 0.04 0.00 0.00 177.00 176.38 1mx1 n SER 5454N -1.38 0.00 -0.75 6.66 3.41 -1.26 -2.47 113.62 117.82 1mx1 n SER 5454Ca 0.12 0.27 0.07 0.00 -0.26 0.00 0.00 58.87 59.08 1mx1 n SER 5454Cb 0.49 -0.40 0.21 0.00 -0.26 0.00 0.00 64.21 64.25 1mx1 n SER 5454CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1mx1 n PHE 5455N -1.40 0.51 -1.32 7.33 3.01 -1.26 -4.93 117.46 119.40 1mx1 n PHE 5455Ca 0.07 -0.25 -0.33 0.00 1.01 0.00 0.00 57.45 57.95 1mx1 n PHE 5455Cb 0.19 0.00 0.10 0.00 -0.01 0.00 0.00 39.48 39.76 1mx1 n PHE 5455CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 1mx1 s SER 5456N -1.10 4.19 0.48 4.37 0.01 -1.03 -4.95 113.70 115.67 1mx1 s SER 5456Ca 0.29 2.14 -0.24 0.00 1.31 0.00 0.00 55.95 59.44 1mx1 s SER 5456Cb 0.15 -2.56 -0.07 0.00 0.21 0.00 0.00 66.02 63.75 1mx1 s SER 5456CO 0.20 -2.26 1.42 -0.24 0.41 0.00 0.00 173.24 172.78 1mx1 n SER 5457N -3.13 3.20 0.30 2.44 2.88 -1.26 -4.87 113.62 113.17 1mx1 n SER 5457Ca 0.12 1.08 0.17 0.00 -1.33 0.00 0.00 58.87 58.91 1mx1 n SER 5457Cb 0.52 -1.60 0.92 0.00 -0.75 0.00 0.00 64.21 63.29 1mx1 n SER 5457CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 1mx1 h ASP 5458N 2.06 0.00 1.47 -3.46 3.32 -1.97 -1.62 116.42 116.23 1mx1 h ASP 5458Ca -0.51 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.54 1mx1 h ASP 5458Cb 1.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.83 1mx1 h ASP 5458CO 0.60 0.04 -0.04 0.24 -1.72 0.00 0.00 179.24 178.37 1mx1 h MET 5459N 0.00 0.00 -6.02 3.56 2.86 -2.03 -3.44 114.93 109.86 1mx1 h MET 5459Ca -0.00 0.00 -0.58 0.00 -2.06 0.00 0.00 59.70 57.06 1mx1 h MET 5459Cb 0.19 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 31.78 1mx1 h MET 5459CO 0.01 0.00 0.58 0.21 1.06 0.00 0.00 176.91 178.77 1mx1 s LYS 5460N -3.11 4.28 0.65 1.72 2.20 -0.61 -5.02 119.74 119.86 1mx1 s LYS 5460Ca 0.10 1.19 -0.17 0.00 -0.36 0.00 0.00 55.97 56.73 1mx1 s LYS 5460Cb 0.12 -3.61 -0.00 0.00 -1.51 0.00 0.00 37.83 32.83 1mx1 s LYS 5460CO 0.61 -0.47 1.22 -1.25 -0.36 0.00 0.00 175.35 175.10 1mx1 s PRO 5461N 2.64 2.59 0.48 4.03 0.04 -1.26 -4.89 135.00 138.63 1mx1 s PRO 5461Ca 0.41 1.84 0.18 0.00 0.04 0.00 0.00 61.00 63.48 1mx1 s PRO 5461Cb -0.16 -1.88 1.19 0.00 0.04 0.00 0.00 34.50 33.69 1mx1 s PRO 5461CO 0.10 -1.51 2.00 1.57 0.04 0.00 0.00 177.00 179.20 1mx1 h LYS 5462N 0.38 0.21 0.00 4.56 2.10 -1.96 -2.73 116.57 119.13 1mx1 h LYS 5462Ca -0.49 -0.01 -0.03 0.00 -2.00 0.00 0.00 60.65 58.12 1mx1 h LYS 5462Cb 1.30 -0.05 -0.00 0.00 -0.90 0.00 0.00 32.23 32.58 1mx1 h LYS 5462CO 0.53 0.14 -0.13 1.79 -2.00 0.00 0.00 179.45 179.78 1mx1 h THR 5463N 0.22 0.49 -2.89 0.07 1.35 -2.04 -3.42 112.91 106.67 1mx1 h THR 5463Ca 0.25 -0.62 -0.56 0.00 -0.55 0.00 0.00 66.41 64.92 1mx1 h THR 5463Cb 0.69 1.42 -0.04 0.00 -1.73 0.00 0.00 68.15 68.50 1mx1 h THR 5463CO -0.05 0.12 0.99 -0.69 -0.25 0.00 0.00 175.52 175.65 1mx1 s VAL 5464N -4.04 4.03 -0.06 6.82 1.01 -1.03 -5.00 120.40 122.13 1mx1 s VAL 5464Ca -0.02 1.21 0.03 0.00 0.00 0.00 0.00 61.98 63.21 1mx1 s VAL 5464Cb 0.12 -3.90 0.01 0.00 0.00 0.00 0.00 36.38 32.61 1mx1 s VAL 5464CO 0.58 -0.23 -0.15 -0.63 0.00 0.00 0.00 175.10 174.66 1mx1 s ILE 5465N 4.11 1.36 -0.69 2.22 1.01 -1.26 -4.75 121.20 123.20 1mx1 s ILE 5465Ca 0.61 -0.63 -0.03 0.00 0.00 0.00 0.00 60.65 60.60 1mx1 s ILE 5465Cb -0.23 -1.21 0.00 0.00 0.01 0.00 0.00 42.46 41.04 1mx1 s ILE 5465CO 0.22 0.40 0.59 0.61 0.00 0.00 0.00 174.94 176.76 1mx1 n GLY 5466N 3.57 0.09 3.81 6.18 0.00 -0.67 -3.52 105.19 114.65 1mx1 n GLY 5466Ca -0.21 -0.17 -0.30 0.00 0.00 0.00 0.00 46.02 45.33 1mx1 n GLY 5466CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1mx1 s ASP 5467N -3.41 4.82 0.05 1.61 2.15 -1.26 0.79 116.67 121.43 1mx1 s ASP 5467Ca 0.18 1.41 -0.35 0.00 0.43 0.00 0.00 52.55 54.22 1mx1 s ASP 5467Cb -0.08 -2.20 -0.14 0.00 -0.30 0.00 0.00 42.92 40.20 1mx1 s ASP 5467CO 0.39 -1.77 1.62 1.57 -0.17 0.00 0.00 175.17 176.80 1mx1 n HIS 5468N -3.32 2.12 -0.40 -5.34 -0.00 -1.22 -1.32 115.22 105.74 1mx1 n HIS 5468Ca 0.07 0.30 0.00 0.00 -0.00 0.00 0.00 57.72 58.09 1mx1 n HIS 5468Cb 0.55 -2.52 0.00 0.00 -0.00 0.00 0.00 29.99 28.02 1mx1 n HIS 5468CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1mx1 n GLY 5469N 3.54 1.13 0.23 1.57 0.00 -1.26 -4.83 105.19 105.56 1mx1 n GLY 5469Ca 0.19 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.28 1mx1 n GLY 5469CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1mx1 h ASP 5470N 0.00 0.00 1.27 1.61 5.19 -1.55 -2.79 116.42 120.15 1mx1 h ASP 5470Ca 0.00 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.38 1mx1 h ASP 5470Cb 0.00 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.51 1mx1 h ASP 5470CO 0.00 0.20 -0.12 1.05 -3.12 0.00 0.00 179.24 177.24 1mx1 h GLU 5471N 0.00 0.00 -0.51 3.56 9.09 -1.92 -3.22 114.58 121.58 1mx1 h GLU 5471Ca -0.00 0.00 0.11 0.00 0.05 0.00 0.00 59.36 59.52 1mx1 h GLU 5471Cb 0.38 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.45 1mx1 h GLU 5471CO 0.03 0.12 0.35 -0.07 0.05 0.00 0.00 179.01 179.49 1mx1 h LEU 5472N 0.00 0.18 -1.27 3.06 3.38 -1.90 -0.59 115.31 118.17 1mx1 h LEU 5472Ca -0.00 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 1mx1 h LEU 5472Cb 0.79 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 1mx1 h LEU 5472CO 0.02 0.11 -0.35 -0.26 0.09 0.00 0.00 178.44 178.05 1mx1 h PHE 5473N 0.20 0.00 0.07 1.13 -1.00 -1.75 -1.57 116.94 114.02 1mx1 h PHE 5473Ca 0.24 0.00 -0.17 0.00 2.81 0.00 0.00 57.97 60.85 1mx1 h PHE 5473Cb 0.68 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.23 1mx1 h PHE 5473CO -0.00 0.35 -0.88 0.77 -1.61 0.00 0.00 178.31 176.93 1mx1 h SER 5474N 0.00 0.22 -0.64 2.17 0.02 -1.36 -0.44 113.55 113.51 1mx1 h SER 5474Ca -0.00 -0.84 0.08 0.00 -0.84 0.00 0.00 61.79 60.18 1mx1 h SER 5474Cb 0.68 -0.07 -0.06 0.00 0.14 0.00 0.00 62.40 63.09 1mx1 h SER 5474CO 0.05 1.38 0.30 0.58 -1.14 0.00 0.00 176.83 178.00 1mx1 h VAL 5475N -0.64 0.86 -0.53 2.27 2.07 -1.22 -2.20 116.25 116.85 1mx1 h VAL 5475Ca -0.20 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.14 1mx1 h VAL 5475Cb 1.44 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 31.48 1mx1 h VAL 5475CO 0.01 0.10 0.00 0.49 0.02 0.00 0.00 177.57 178.19 1mx1 n PHE 5476N -4.89 1.13 -3.74 1.57 3.01 -0.60 -4.70 117.46 109.24 1mx1 n PHE 5476Ca 0.09 -0.46 -0.23 0.00 1.01 0.00 0.00 57.45 57.85 1mx1 n PHE 5476Cb 0.24 -0.17 0.04 0.00 -0.01 0.00 0.00 39.48 39.57 1mx1 n PHE 5476CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1mx1 n GLY 5477N 1.06 -0.36 0.36 1.37 0.00 -0.83 -4.46 105.19 102.34 1mx1 n GLY 5477Ca 0.20 0.15 0.04 0.00 0.00 0.00 0.00 46.02 46.41 1mx1 n GLY 5477CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mx1 h ALA 5478N 0.90 1.51 -0.00 4.61 0.00 -1.32 -1.16 119.26 123.81 1mx1 h ALA 5478Ca -0.60 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1mx1 h ALA 5478Cb 1.36 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 1mx1 h ALA 5478CO 0.59 0.35 0.44 -1.35 0.00 0.00 0.00 179.25 179.28 1mx1 h PRO 5479N 1.03 0.00 -0.26 0.00 0.11 -1.85 0.36 132.00 131.39 1mx1 h PRO 5479Ca 0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.49 1mx1 h PRO 5479Cb 0.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.30 1mx1 h PRO 5479CO -0.14 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 178.84 1mx1 n PHE 5480N -2.83 0.32 0.00 0.65 3.01 -0.44 -4.50 117.46 113.67 1mx1 n PHE 5480Ca -0.02 -0.17 0.00 0.00 1.01 0.00 0.00 57.45 58.28 1mx1 n PHE 5480Cb 0.48 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.95 1mx1 n PHE 5480CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1mx1 n LEU 5481N 1.38 1.73 -4.94 4.37 4.77 0.91 -4.96 117.00 120.25 1mx1 n LEU 5481Ca 0.17 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.91 1mx1 n LEU 5481Cb 0.58 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.73 1mx1 n LEU 5481CO 0.15 0.26 0.53 -0.54 -1.33 0.00 0.00 177.39 176.45 1mx1 s LYS 5482N -1.81 2.34 0.32 3.23 1.02 0.75 -4.23 119.74 121.35 1mx1 s LYS 5482Ca 0.00 -0.43 0.09 0.00 0.02 0.00 0.00 55.97 55.65 1mx1 s LYS 5482Cb 0.00 -2.28 -0.05 0.00 -0.52 0.00 0.00 37.83 34.98 1mx1 s LYS 5482CO 0.00 -1.04 0.05 -1.21 -0.92 0.00 0.00 175.35 172.23 1mx1 s GLU 5483N -5.07 2.24 0.00 1.68 2.02 -1.26 -4.72 118.70 113.60 1mx1 s GLU 5483Ca 0.59 -1.57 0.00 0.00 0.02 0.00 0.00 54.97 54.01 1mx1 s GLU 5483Cb -0.11 -2.09 0.00 0.00 0.10 0.00 0.00 34.13 32.04 1mx1 s GLU 5483CO 0.42 0.20 0.00 0.41 0.02 0.00 0.00 175.26 176.32 1mx1 n GLY 5484N -1.00 0.73 3.73 -1.39 0.00 -1.26 -5.04 105.19 100.97 1mx1 n GLY 5484Ca -0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 1mx1 n GLY 5484CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mx1 s ALA 5485N -2.62 3.38 0.99 4.61 0.00 -1.26 -5.02 121.76 121.84 1mx1 s ALA 5485Ca 0.00 0.83 -0.13 0.00 0.00 0.00 0.00 51.96 52.66 1mx1 s ALA 5485Cb 0.00 -3.37 0.18 0.00 0.00 0.00 0.00 23.12 19.93 1mx1 s ALA 5485CO 0.00 -0.25 1.12 -1.54 0.00 0.00 0.00 175.76 175.08 1mx1 s SER 5486N 0.06 2.80 0.41 0.00 1.04 -1.26 -4.81 113.70 111.94 1mx1 s SER 5486Ca 0.51 1.02 0.12 0.00 0.48 0.00 0.00 55.95 58.08 1mx1 s SER 5486Cb -0.30 -1.60 0.86 0.00 0.10 0.00 0.00 66.02 65.08 1mx1 s SER 5486CO 0.34 -3.00 1.92 -0.08 0.98 0.00 0.00 173.24 173.40 1mx1 h GLU 5487N -1.81 0.07 -0.23 4.02 4.81 -1.99 -1.53 114.58 117.92 1mx1 h GLU 5487Ca -0.52 -0.02 -0.12 0.00 -0.13 0.00 0.00 59.36 58.57 1mx1 h GLU 5487Cb 1.33 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.70 1mx1 h GLU 5487CO 0.57 0.29 -0.32 1.49 -0.73 0.00 0.00 179.01 180.32 1mx1 h GLU 5488N 0.07 0.63 -0.23 1.92 4.81 -1.99 -1.92 114.58 117.87 1mx1 h GLU 5488Ca 0.01 -0.37 -0.09 0.00 -0.13 0.00 0.00 59.36 58.79 1mx1 h GLU 5488Cb 0.43 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.83 1mx1 h GLU 5488CO 0.03 0.97 -0.24 1.49 -0.73 0.00 0.00 179.01 180.53 1mx1 h GLU 5489N 0.33 0.43 -0.46 1.92 4.81 -1.83 -0.80 114.58 118.99 1mx1 h GLU 5489Ca 0.03 -0.16 -0.07 0.00 -0.13 0.00 0.00 59.36 59.03 1mx1 h GLU 5489Cb 0.90 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.23 1mx1 h GLU 5489CO 0.08 0.65 0.00 0.82 -0.73 0.00 0.00 179.01 179.83 1mx1 h ILE 5490N 0.39 1.26 -0.38 2.32 2.04 -1.19 -2.15 117.51 119.80 1mx1 h ILE 5490Ca 0.06 -1.05 -0.12 0.00 1.00 0.00 0.00 64.86 64.75 1mx1 h ILE 5490Cb 0.64 1.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.73 1mx1 h ILE 5490CO 0.05 0.36 -0.24 0.03 0.00 0.00 0.00 178.15 178.35 1mx1 h ARG 5491N 0.66 0.76 -0.44 2.37 3.08 -1.05 -2.11 114.38 117.65 1mx1 h ARG 5491Ca 0.13 -0.31 -0.00 0.00 0.07 0.00 0.00 59.98 59.87 1mx1 h ARG 5491Cb 0.50 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.50 1mx1 h ARG 5491CO 0.02 0.92 0.27 1.25 -1.07 0.00 0.00 179.97 181.37 1mx1 h LEU 5492N 0.66 0.52 -0.50 3.04 5.85 -0.98 -0.73 115.31 123.17 1mx1 h LEU 5492Ca 0.09 -0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.71 1mx1 h LEU 5492Cb 0.75 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.63 1mx1 h LEU 5492CO 0.06 0.41 0.12 -1.28 -0.34 0.00 0.00 178.44 177.41 1mx1 h SER 5493N 0.58 0.76 -0.93 1.25 0.87 -1.23 -0.97 113.55 113.89 1mx1 h SER 5493Ca 0.16 -0.24 -0.01 0.00 -1.23 0.00 0.00 61.79 60.47 1mx1 h SER 5493Cb -0.02 -0.20 -0.04 0.00 -0.44 0.00 0.00 62.40 61.70 1mx1 h SER 5493CO -0.03 0.80 0.55 0.11 -0.53 0.00 0.00 176.83 177.73 1mx1 h LYS 5494N 0.69 1.27 -0.27 2.24 1.57 -1.14 -0.35 116.57 120.59 1mx1 h LYS 5494Ca 0.16 -0.12 -0.07 0.00 -1.87 0.00 0.00 60.65 58.75 1mx1 h LYS 5494Cb 0.34 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 1mx1 h LYS 5494CO 0.00 0.90 -0.09 1.98 -0.57 0.00 0.00 179.45 181.67 1mx1 h MET 5495N 1.29 0.53 -0.21 3.15 4.05 -0.88 -2.38 114.93 120.48 1mx1 h MET 5495Ca 0.33 -0.22 -0.01 0.00 -0.28 0.00 0.00 59.70 59.52 1mx1 h MET 5495Cb -0.03 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 30.73 1mx1 h MET 5495CO -0.06 0.76 0.08 0.28 0.23 0.00 0.00 176.91 178.20 1mx1 h VAL 5496N 0.28 1.17 -0.55 -5.77 2.07 -0.88 -1.34 116.25 111.23 1mx1 h VAL 5496Ca 0.06 -0.53 0.00 0.00 0.82 0.00 0.00 66.70 67.05 1mx1 h VAL 5496Cb 0.58 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 31.45 1mx1 h VAL 5496CO 0.03 0.17 0.36 0.24 0.02 0.00 0.00 177.57 178.39 1mx1 h MET 5497N 0.18 0.74 -0.24 1.57 2.07 -1.10 -0.74 114.93 117.41 1mx1 h MET 5497Ca 0.07 -0.05 -0.17 0.00 -2.07 0.00 0.00 59.70 57.49 1mx1 h MET 5497Cb 0.20 -0.16 0.00 0.00 -1.87 0.00 0.00 31.60 29.76 1mx1 h MET 5497CO -0.00 0.50 -0.50 -0.22 1.07 0.00 0.00 176.91 177.76 1mx1 h LYS 5498N 0.76 0.76 -0.32 1.72 3.64 -1.17 -0.00 116.57 121.94 1mx1 h LYS 5498Ca 0.20 -0.50 0.01 0.00 -1.27 0.00 0.00 60.65 59.10 1mx1 h LYS 5498Cb -0.07 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.79 1mx1 h LYS 5498CO -0.04 1.12 0.18 0.74 -2.27 0.00 0.00 179.45 179.18 1mx1 h PHE 5499N 0.49 0.35 -0.15 1.91 0.05 -0.77 0.10 116.94 118.93 1mx1 h PHE 5499Ca 0.01 0.01 -0.01 0.00 3.82 0.00 0.00 57.97 61.80 1mx1 h PHE 5499Cb 1.11 -0.11 -0.01 0.00 2.00 0.00 0.00 35.95 38.94 1mx1 h PHE 5499CO 0.08 0.20 0.07 -1.49 -0.18 0.00 0.00 178.31 176.99 1mx1 h TRP 5500N 0.38 0.22 -0.57 -0.55 -0.00 -1.08 -1.27 115.95 113.08 1mx1 h TRP 5500Ca 0.13 -0.01 -0.07 0.00 -0.00 0.00 0.00 58.89 58.94 1mx1 h TRP 5500Cb 0.01 -0.07 -0.02 0.00 -0.00 0.00 0.00 29.16 29.08 1mx1 h TRP 5500CO -0.08 0.26 0.09 0.00 -0.00 0.00 0.00 178.44 178.71 1mx1 h ALA 5501N 0.93 1.08 -0.79 1.49 0.00 -0.84 0.51 119.26 121.64 1mx1 h ALA 5501Ca 0.05 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 1mx1 h ALA 5501Cb 0.13 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 1mx1 h ALA 5501CO -0.01 0.60 0.32 -0.91 0.00 0.00 0.00 179.25 179.25 1mx1 h ASN 5502N 0.86 1.09 -0.56 0.00 2.35 -0.63 -0.73 115.58 117.96 1mx1 h ASN 5502Ca 0.18 -0.17 -0.06 0.00 -0.55 0.00 0.00 56.30 55.70 1mx1 h ASN 5502Cb 0.39 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.46 1mx1 h ASN 5502CO 0.01 0.96 0.10 0.15 -1.65 0.00 0.00 177.43 177.01 1mx1 h PHE 5503N 1.15 0.97 -0.32 1.19 3.57 -0.70 0.24 116.94 123.04 1mx1 h PHE 5503Ca 0.26 -0.13 0.02 0.00 3.53 0.00 0.00 57.97 61.65 1mx1 h PHE 5503Cb 0.22 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 38.66 1mx1 h PHE 5503CO 0.02 0.85 0.17 0.00 -2.23 0.00 0.00 178.31 177.12 1mx1 h ALA 5504N 1.00 0.40 0.00 2.41 0.00 -0.16 0.64 119.26 123.56 1mx1 h ALA 5504Ca 0.17 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.88 1mx1 h ALA 5504Cb 0.39 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1mx1 h ALA 5504CO 0.01 -0.20 -1.09 0.07 0.00 0.00 0.00 179.25 178.04 1mx1 h ARG 5505N 0.36 0.00 0.00 0.00 0.11 -1.00 -3.40 114.38 110.44 1mx1 h ARG 5505Ca 0.13 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.21 1mx1 h ARG 5505Cb 0.03 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.11 1mx1 h ARG 5505CO -0.08 0.77 -0.23 0.09 0.10 0.00 0.00 179.97 180.61 1mx1 n ASN 5506N -3.23 0.29 -0.52 0.08 3.02 0.82 -4.98 115.26 110.74 1mx1 n ASN 5506Ca -0.04 -0.59 -0.07 0.00 -0.03 0.00 0.00 54.58 53.85 1mx1 n ASN 5506Cb 0.92 1.00 -0.03 0.00 -0.61 0.00 0.00 39.78 41.07 1mx1 n ASN 5506CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1mx1 n GLY 5507N 1.13 0.90 3.27 7.41 0.00 0.22 -4.98 105.19 113.15 1mx1 n GLY 5507Ca 0.01 -0.68 -0.09 0.00 0.00 0.00 0.00 46.02 45.25 1mx1 n GLY 5507CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1mx1 s ASN 5508N -2.87 -0.34 0.45 1.61 3.84 -1.25 -4.88 114.94 111.50 1mx1 s ASN 5508Ca 0.00 0.96 0.23 0.00 0.21 0.00 0.00 52.86 54.27 1mx1 s ASN 5508Cb 0.00 1.15 1.06 0.00 -0.55 0.00 0.00 41.25 42.91 1mx1 s ASN 5508CO 0.00 -0.22 1.90 1.55 -2.79 0.00 0.00 177.10 177.54 1mx1 h PRO 5509N 7.81 0.00 -7.10 0.43 0.13 -1.81 -3.13 132.00 128.33 1mx1 h PRO 5509Ca -0.23 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.34 1mx1 h PRO 5509Cb 1.14 0.00 0.15 0.00 0.13 0.00 0.00 31.00 32.42 1mx1 h PRO 5509CO 0.18 0.22 0.53 -0.80 -0.23 0.00 0.00 178.00 177.90 1mx1 s ASN 5510N -6.28 4.72 -0.01 1.44 0.01 -1.26 -4.49 114.94 109.06 1mx1 s ASN 5510Ca -0.01 2.64 -0.30 0.00 -0.71 0.00 0.00 52.86 54.48 1mx1 s ASN 5510Cb 0.12 -2.62 0.11 0.00 0.41 0.00 0.00 41.25 39.27 1mx1 s ASN 5510CO 0.63 -1.93 1.28 -0.83 -1.51 0.00 0.00 177.10 174.74 1mx1 s GLY 5511N -1.33 -0.34 0.32 0.66 0.00 -1.26 -4.95 107.32 100.43 1mx1 s GLY 5511Ca 0.81 0.51 -0.29 0.00 0.00 0.00 0.00 44.72 45.75 1mx1 s GLY 5511CO 0.41 1.35 1.50 1.18 0.00 0.00 0.00 173.10 177.53 1mx1 n GLU 5512N -0.58 2.55 -1.12 2.90 -0.58 -1.26 -2.81 120.64 119.74 1mx1 n GLU 5512Ca -0.06 0.90 -0.04 0.00 -0.42 0.00 0.00 57.16 57.54 1mx1 n GLU 5512Cb 0.62 -2.63 -0.02 0.00 -0.57 0.00 0.00 31.44 28.84 1mx1 n GLU 5512CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1mx1 n GLY 5513N 1.37 0.69 3.20 0.62 0.00 -1.26 -5.03 105.19 104.78 1mx1 n GLY 5513Ca 0.06 -0.58 -0.23 0.00 0.00 0.00 0.00 46.02 45.28 1mx1 n GLY 5513CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1mx1 s LEU 5514N -0.93 2.18 0.78 0.99 1.43 -1.12 -5.10 118.68 116.89 1mx1 s LEU 5514Ca 0.00 -0.50 -0.14 0.00 -1.03 0.00 0.00 54.13 52.46 1mx1 s LEU 5514Cb 0.00 -0.78 0.06 0.00 0.03 0.00 0.00 46.19 45.50 1mx1 s LEU 5514CO 0.00 0.09 1.23 -2.16 0.23 0.00 0.00 176.35 175.74 1mx1 s PRO 5515N -1.19 1.81 -0.03 1.29 0.04 -1.26 -4.78 135.00 130.87 1mx1 s PRO 5515Ca 0.04 1.83 -0.30 0.00 0.04 0.00 0.00 61.00 62.62 1mx1 s PRO 5515Cb -0.08 -1.79 -0.05 0.00 0.04 0.00 0.00 34.50 32.62 1mx1 s PRO 5515CO 0.02 -2.11 1.36 -1.58 0.04 0.00 0.00 177.00 174.73 1mx1 s HIS 5516N -1.98 2.87 -0.42 0.56 2.46 -1.26 -4.87 115.29 112.65 1mx1 s HIS 5516Ca 0.75 0.88 -0.10 0.00 0.47 0.00 0.00 55.06 57.06 1mx1 s HIS 5516Cb -0.31 -3.62 0.07 0.00 -0.13 0.00 0.00 32.58 28.59 1mx1 s HIS 5516CO 0.48 -2.24 0.27 -0.46 -2.47 0.00 0.00 174.74 170.32 1mx1 s TRP 5517N 2.54 3.31 0.54 3.88 -0.11 -1.26 -4.50 118.94 123.35 1mx1 s TRP 5517Ca 0.62 -1.36 -0.19 0.00 1.22 0.00 0.00 56.10 56.39 1mx1 s TRP 5517Cb -0.29 -2.90 -0.06 0.00 -1.50 0.00 0.00 33.47 28.72 1mx1 s TRP 5517CO 0.25 -0.81 1.13 -1.25 -4.62 0.00 0.00 176.95 171.65 1mx1 s PRO 5518N 1.47 3.34 0.60 5.86 0.04 -1.26 -4.80 135.00 140.25 1mx1 s PRO 5518Ca 0.03 1.62 -0.15 0.00 0.04 0.00 0.00 61.00 62.54 1mx1 s PRO 5518Cb -0.23 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.28 1mx1 s PRO 5518CO 0.03 -0.86 1.05 -2.00 0.04 0.00 0.00 177.00 175.26 1mx1 s GLU 5519N -3.28 3.34 -1.16 4.56 2.12 -1.26 -4.54 118.70 118.47 1mx1 s GLU 5519Ca 0.73 1.14 -0.16 0.00 0.36 0.00 0.00 54.97 57.04 1mx1 s GLU 5519Cb -0.24 -2.04 0.14 0.00 0.26 0.00 0.00 34.13 32.25 1mx1 s GLU 5519CO 0.27 -0.79 1.43 -0.47 -0.54 0.00 0.00 175.26 175.17 1mx1 s TYR 5520N -2.56 3.25 0.00 5.30 5.04 0.18 -4.00 117.35 124.57 1mx1 s TYR 5520Ca 0.62 -1.84 0.00 0.00 -2.44 0.00 0.00 57.07 53.41 1mx1 s TYR 5520Cb -0.15 -4.41 0.00 0.00 0.35 0.00 0.00 41.96 37.75 1mx1 s TYR 5520CO 0.39 -1.51 0.00 0.27 -1.34 0.00 0.00 175.55 173.35 1mx1 n ASN 5521N 6.46 0.09 0.30 4.32 0.23 -1.26 -4.66 115.26 120.73 1mx1 n ASN 5521Ca 0.36 0.00 0.16 0.00 -0.53 0.00 0.00 54.58 54.58 1mx1 n ASN 5521Cb 0.45 0.00 0.92 0.00 -2.08 0.00 0.00 39.78 39.07 1mx1 n ASN 5521CO 0.00 0.00 0.00 1.56 -0.93 0.00 0.00 177.26 177.89 1mx1 h GLN 5522N 0.00 0.00 0.00 -3.83 1.08 -1.99 0.71 115.11 111.08 1mx1 h GLN 5522Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1mx1 h GLN 5522Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 1mx1 h GLN 5522CO 0.00 0.04 -0.03 1.63 -0.95 0.00 0.00 178.83 179.52 1mx1 n LYS 5523N -3.53 0.02 -3.76 1.46 5.02 -1.26 -4.95 118.16 111.16 1mx1 n LYS 5523Ca -0.02 0.02 -0.23 0.00 -2.02 0.00 0.00 58.31 56.05 1mx1 n LYS 5523Cb 0.15 -1.53 0.02 0.00 -0.02 0.00 0.00 35.03 33.65 1mx1 n LYS 5523CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1mx1 n GLU 5524N -1.57 -4.00 -2.76 1.97 1.02 0.24 -4.01 120.64 111.53 1mx1 n GLU 5524Ca 0.07 0.55 -0.33 0.00 -0.02 0.00 0.00 57.16 57.43 1mx1 n GLU 5524Cb 0.35 -4.90 -0.06 0.00 -0.02 0.00 0.00 31.44 26.80 1mx1 n GLU 5524CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1mx1 s GLY 5525N -4.25 2.34 0.25 0.62 0.00 -1.26 -1.18 107.32 103.84 1mx1 s GLY 5525Ca 0.06 0.36 -0.12 0.00 0.00 0.00 0.00 44.72 45.02 1mx1 s GLY 5525CO 0.84 0.64 0.46 -2.52 0.00 0.00 0.00 173.10 172.52 1mx1 s TYR 5526N -2.24 0.41 -0.18 1.90 -0.85 0.01 -4.03 117.35 112.36 1mx1 s TYR 5526Ca 0.61 -0.76 -0.06 0.00 -0.52 0.00 0.00 57.07 56.34 1mx1 s TYR 5526Cb -0.09 0.15 -0.04 0.00 0.38 0.00 0.00 41.96 42.36 1mx1 s TYR 5526CO 0.16 -0.98 0.03 -1.17 -1.52 0.00 0.00 175.55 172.07 1mx1 s LEU 5527N -3.03 3.61 -0.47 -3.49 2.96 -0.48 -1.42 118.68 116.36 1mx1 s LEU 5527Ca 0.23 -0.01 -0.19 0.00 -0.22 0.00 0.00 54.13 53.95 1mx1 s LEU 5527Cb -0.00 -1.91 0.04 0.00 0.50 0.00 0.00 46.19 44.82 1mx1 s LEU 5527CO 0.09 0.16 0.58 -1.10 -1.32 0.00 0.00 176.35 174.76 1mx1 s GLN 5528N 0.46 3.16 -0.24 1.98 -0.21 -0.52 -0.66 119.66 123.63 1mx1 s GLN 5528Ca 0.01 -0.71 -0.14 0.00 0.02 0.00 0.00 55.36 54.54 1mx1 s GLN 5528Cb -0.13 -4.02 -0.04 0.00 1.00 0.00 0.00 33.01 29.81 1mx1 s GLN 5528CO 0.01 -1.07 0.31 0.42 -2.12 0.00 0.00 175.29 172.84 1mx1 s ILE 5529N 2.56 5.25 0.00 1.08 1.01 -0.54 -2.18 121.20 128.38 1mx1 s ILE 5529Ca 0.16 0.48 0.00 0.00 0.00 0.00 0.00 60.65 61.29 1mx1 s ILE 5529Cb -0.17 -3.64 0.00 0.00 0.01 0.00 0.00 42.46 38.66 1mx1 s ILE 5529CO 0.14 0.25 0.00 0.61 0.00 0.00 0.00 174.94 175.95 1mx1 n GLY 5530N 4.32 1.04 0.30 6.18 0.00 -1.26 0.06 105.19 115.84 1mx1 n GLY 5530Ca -0.11 -0.57 0.09 0.00 0.00 0.00 0.00 46.02 45.43 1mx1 n GLY 5530CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mx1 h ALA 5531N 2.00 1.29 -3.20 4.61 0.00 -1.95 -3.33 119.26 118.67 1mx1 h ALA 5531Ca 0.00 0.11 -0.66 0.00 0.00 0.00 0.00 54.91 54.37 1mx1 h ALA 5531Cb 0.00 0.05 -0.28 0.00 0.00 0.00 0.00 17.79 17.57 1mx1 h ALA 5531CO 0.00 -0.19 -0.76 -0.80 0.00 0.00 0.00 179.25 177.50 1mx1 s ASN 5532N -5.33 4.02 -0.16 0.00 0.02 -1.26 -5.07 114.94 107.16 1mx1 s ASN 5532Ca -0.12 -0.37 -0.00 0.00 -1.02 0.00 0.00 52.86 51.34 1mx1 s ASN 5532Cb 0.23 -1.64 -0.00 0.00 0.02 0.00 0.00 41.25 39.86 1mx1 s ASN 5532CO 0.78 0.10 -0.14 -0.89 0.02 0.00 0.00 177.10 176.96 1mx1 s THR 5533N 0.77 2.73 0.04 1.60 2.01 -1.25 -4.64 115.64 116.90 1mx1 s THR 5533Ca -0.04 -0.74 -0.25 0.00 0.31 0.00 0.00 61.69 60.97 1mx1 s THR 5533Cb -0.15 -2.17 0.06 0.00 0.01 0.00 0.00 72.50 70.25 1mx1 s THR 5533CO 0.01 0.51 0.57 0.00 -0.69 0.00 0.00 174.62 175.02 1mx1 s GLN 5534N 0.90 1.07 0.76 4.92 0.00 -0.93 -4.97 119.66 121.42 1mx1 s GLN 5534Ca -0.03 -0.13 -0.11 0.00 -0.00 0.00 0.00 55.36 55.08 1mx1 s GLN 5534Cb -0.15 0.50 0.05 0.00 0.00 0.00 0.00 33.01 33.40 1mx1 s GLN 5534CO -0.01 -0.39 1.08 0.00 0.00 0.00 0.00 175.29 175.97 1mx1 s ALA 5535N -2.28 2.36 0.34 2.60 0.00 -1.26 -1.43 121.76 122.09 1mx1 s ALA 5535Ca -0.06 -0.01 -0.11 0.00 0.00 0.00 0.00 51.96 51.78 1mx1 s ALA 5535Cb -0.01 -3.17 0.04 0.00 0.00 0.00 0.00 23.12 19.99 1mx1 s ALA 5535CO -0.00 -1.59 0.65 0.00 0.00 0.00 0.00 175.76 174.82 1mx1 n ALA 5536N -3.36 -1.34 -2.15 0.00 0.00 -0.51 -4.85 120.51 108.30 1mx1 n ALA 5536Ca 0.07 -1.17 -0.08 0.00 0.00 0.00 0.00 53.44 52.26 1mx1 n ALA 5536Cb 0.55 0.93 -0.10 0.00 0.00 0.00 0.00 19.45 20.83 1mx1 n ALA 5536CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1mx1 s GLN 5537N -2.19 0.69 -0.86 0.00 -0.21 -1.26 -0.81 119.66 115.02 1mx1 s GLN 5537Ca 0.16 -1.25 -0.04 0.00 0.02 0.00 0.00 55.36 54.25 1mx1 s GLN 5537Cb -0.04 0.04 -0.04 0.00 1.00 0.00 0.00 33.01 33.97 1mx1 s GLN 5537CO 0.12 -0.07 0.76 1.63 -2.12 0.00 0.00 175.29 175.61 1mx1 n LYS 5538N 0.09 -1.77 -2.37 2.91 4.76 -0.32 -4.95 118.16 116.52 1mx1 n LYS 5538Ca -0.14 0.95 -0.43 0.00 -2.87 0.00 0.00 58.31 55.83 1mx1 n LYS 5538Cb 0.61 -5.35 -0.02 0.00 -1.84 0.00 0.00 35.03 28.42 1mx1 n LYS 5538CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1mx1 s LEU 5539N -4.75 4.08 -1.78 -0.35 2.96 -1.26 -3.43 118.68 114.16 1mx1 s LEU 5539Ca 0.29 1.59 0.00 0.00 -0.22 0.00 0.00 54.13 55.80 1mx1 s LEU 5539Cb -0.04 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.11 1mx1 s LEU 5539CO 0.66 -0.90 0.00 0.29 -1.32 0.00 0.00 176.35 175.08 1mx1 n LYS 5540N 6.93 -1.66 -0.17 1.98 4.76 -1.26 -4.90 118.16 123.84 1mx1 n LYS 5540Ca 0.15 1.00 -0.03 0.00 -2.87 0.00 0.00 58.31 56.56 1mx1 n LYS 5540Cb 0.45 -5.55 0.07 0.00 -1.84 0.00 0.00 35.03 28.16 1mx1 n LYS 5540CO 0.00 0.00 0.00 0.22 -1.37 0.00 0.00 177.40 176.25 1mx1 h ASP 5541N 0.00 0.30 0.09 4.39 1.82 -1.96 -1.28 116.42 119.78 1mx1 h ASP 5541Ca -0.43 0.05 -0.18 0.00 -0.39 0.00 0.00 57.03 56.07 1mx1 h ASP 5541Cb 1.31 -0.00 -0.00 0.00 0.68 0.00 0.00 39.33 41.31 1mx1 h ASP 5541CO 0.55 0.20 -0.67 0.11 -1.61 0.00 0.00 179.24 177.82 1mx1 h LYS 5542N 0.45 0.54 -0.40 0.28 1.57 -1.90 -2.69 116.57 114.41 1mx1 h LYS 5542Ca 0.24 -0.40 -0.03 0.00 -1.87 0.00 0.00 60.65 58.59 1mx1 h LYS 5542Cb 0.21 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.58 1mx1 h LYS 5542CO -0.21 1.02 0.12 0.93 -0.57 0.00 0.00 179.45 180.74 1mx1 h GLU 5543N 0.39 0.63 -0.94 3.15 3.07 -1.89 -0.36 114.58 118.63 1mx1 h GLU 5543Ca -0.02 -0.14 -0.01 0.00 -0.50 0.00 0.00 59.36 58.69 1mx1 h GLU 5543Cb 1.24 -0.09 -0.05 0.00 -0.84 0.00 0.00 28.75 29.02 1mx1 h GLU 5543CO 0.12 0.64 0.56 0.28 -1.40 0.00 0.00 179.01 179.21 1mx1 h VAL 5544N 0.51 1.26 0.33 3.13 2.07 -1.24 0.52 116.25 122.82 1mx1 h VAL 5544Ca 0.13 -0.57 -0.02 0.00 0.82 0.00 0.00 66.70 67.06 1mx1 h VAL 5544Cb 0.28 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 29.99 1mx1 h VAL 5544CO -0.00 0.27 -0.16 0.00 0.02 0.00 0.00 177.57 177.70 1mx1 h ALA 5545N 1.32 -0.45 0.12 1.67 0.00 -1.15 -0.23 119.26 120.53 1mx1 h ALA 5545Ca 0.34 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.13 1mx1 h ALA 5545Cb -0.04 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 1mx1 h ALA 5545CO -0.06 -0.69 -0.28 0.35 0.00 0.00 0.00 179.25 178.56 1mx1 h PHE 5546N -0.56 -0.76 -0.53 0.00 3.57 -0.70 -2.13 116.94 115.83 1mx1 h PHE 5546Ca -0.05 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.41 1mx1 h PHE 5546Cb 0.41 0.32 -0.02 0.00 2.79 0.00 0.00 35.95 39.45 1mx1 h PHE 5546CO -0.02 -0.39 0.09 -1.49 -2.23 0.00 0.00 178.31 174.27 1mx1 h TRP 5547N -0.50 0.86 -0.62 0.41 4.06 -0.91 -0.54 115.95 118.71 1mx1 h TRP 5547Ca 0.03 -0.09 -0.06 0.00 2.06 0.00 0.00 58.89 60.83 1mx1 h TRP 5547Cb 0.53 -0.25 -0.03 0.00 -1.00 0.00 0.00 29.16 28.41 1mx1 h TRP 5547CO -0.26 0.75 0.16 1.15 -3.56 0.00 0.00 178.44 176.67 1mx1 h THR 5548N 0.79 1.25 -0.34 1.49 2.02 -0.90 -1.77 112.91 115.46 1mx1 h THR 5548Ca 0.17 -0.92 -0.06 0.00 0.77 0.00 0.00 66.41 66.37 1mx1 h THR 5548Cb 0.35 0.66 -0.01 0.00 -1.74 0.00 0.00 68.15 67.40 1mx1 h THR 5548CO 0.01 0.34 -0.02 -1.13 0.37 0.00 0.00 175.52 175.09 1mx1 h ASN 5549N 0.91 0.61 -0.34 4.18 -1.24 -1.10 -2.94 115.58 115.66 1mx1 h ASN 5549Ca 0.20 -0.32 -0.01 0.00 0.71 0.00 0.00 56.30 56.87 1mx1 h ASN 5549Cb 0.35 -0.16 -0.02 0.00 0.73 0.00 0.00 38.32 39.22 1mx1 h ASN 5549CO 0.00 0.78 0.16 0.25 -1.29 0.00 0.00 177.43 177.34 1mx1 h LEU 5550N 0.42 0.45 -1.56 0.34 5.85 -0.96 -2.74 115.31 117.11 1mx1 h LEU 5550Ca 0.10 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.69 1mx1 h LEU 5550Cb 0.48 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.40 1mx1 h LEU 5550CO 0.02 0.45 0.00 -0.26 -0.34 0.00 0.00 178.44 178.31 1mx1 h PHE 5551N 0.41 0.00 0.00 1.25 0.05 -1.35 -2.64 116.94 114.66 1mx1 h PHE 5551Ca 0.12 0.00 -0.10 0.00 3.82 0.00 0.00 57.97 61.80 1mx1 h PHE 5551Cb 0.12 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.06 1mx1 h PHE 5551CO -0.02 0.00 -0.49 0.00 -0.18 0.00 0.00 178.31 177.62 1mx1 h ALA 5552N 2.07 0.79 0.00 2.45 0.00 -1.29 -3.52 119.26 119.77 1mx1 h ALA 5552Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1mx1 h ALA 5552Cb 0.31 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1mx1 h ALA 5552CO 0.00 0.61 0.00 1.63 0.00 0.00 0.00 179.25 181.49