#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mx1 n PRO 4023N 0.00 0.40 -1.89 1.43 -0.02 -1.26 -4.87 135.00 128.79 1mx1 n PRO 4023Ca 0.00 0.16 -0.42 0.00 -2.02 0.00 0.00 63.50 61.22 1mx1 n PRO 4023Cb 0.00 -1.62 -0.03 0.00 -0.02 0.00 0.00 33.50 31.83 1mx1 n PRO 4023CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1mx1 s PRO 4024N -2.05 4.20 -0.30 0.52 0.02 -1.26 -4.85 135.00 131.28 1mx1 s PRO 4024Ca 0.66 2.41 0.02 0.00 0.02 0.00 0.00 61.00 64.11 1mx1 s PRO 4024Cb -0.43 -3.20 0.08 0.00 0.02 0.00 0.00 34.50 30.97 1mx1 s PRO 4024CO 0.57 -0.65 0.01 0.08 -0.33 0.00 0.00 177.00 176.68 1mx1 s VAL 4025N 1.34 1.85 0.01 3.83 1.01 -1.26 -0.78 120.40 126.41 1mx1 s VAL 4025Ca 0.72 -1.81 -0.02 0.00 0.00 0.00 0.00 61.98 60.87 1mx1 s VAL 4025Cb -0.44 -2.24 -0.04 0.00 0.00 0.00 0.00 36.38 33.65 1mx1 s VAL 4025CO 0.32 -0.40 0.18 -0.69 0.00 0.00 0.00 175.10 174.50 1mx1 s VAL 4026N 1.17 5.36 -0.37 2.92 1.01 -0.24 -4.92 120.40 125.34 1mx1 s VAL 4026Ca 0.04 -0.26 -0.11 0.00 0.00 0.00 0.00 61.98 61.64 1mx1 s VAL 4026Cb -0.19 -3.54 0.02 0.00 0.00 0.00 0.00 36.38 32.67 1mx1 s VAL 4026CO -0.10 0.26 0.21 -0.62 0.00 0.00 0.00 175.10 174.86 1mx1 s ASP 4027N -2.12 5.78 0.55 3.32 -1.08 -1.26 -0.63 116.67 121.24 1mx1 s ASP 4027Ca 0.29 -0.87 0.09 0.00 -0.52 0.00 0.00 52.55 51.54 1mx1 s ASP 4027Cb -0.13 -2.05 0.07 0.00 -1.46 0.00 0.00 42.92 39.35 1mx1 s ASP 4027CO 0.21 -0.36 0.69 0.42 0.52 0.00 0.00 175.17 176.66 1mx1 s THR 4028N 1.59 2.17 0.20 1.71 -4.23 -0.64 -4.87 115.64 111.57 1mx1 s THR 4028Ca 0.03 -1.09 -0.10 0.00 -1.18 0.00 0.00 61.69 59.35 1mx1 s THR 4028Cb -0.19 -2.26 0.15 0.00 1.34 0.00 0.00 72.50 71.54 1mx1 s THR 4028CO 0.07 0.00 1.84 0.58 -0.54 0.00 0.00 174.62 176.58 1mx1 h VAL 4029N 0.34 1.21 -0.00 2.29 2.07 -1.94 -2.85 116.25 117.38 1mx1 h VAL 4029Ca -0.32 -0.48 0.00 0.00 0.82 0.00 0.00 66.70 66.72 1mx1 h VAL 4029Cb 1.29 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 1mx1 h VAL 4029CO 0.44 0.22 -0.27 1.41 0.02 0.00 0.00 177.57 179.40 1mx1 n HIS 4030N -4.50 0.00 0.00 1.57 8.25 -1.26 -5.01 115.22 114.26 1mx1 n HIS 4030Ca 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.53 1mx1 n HIS 4030Cb 0.06 -0.37 0.00 0.00 1.12 0.00 0.00 29.99 30.81 1mx1 n HIS 4030CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1mx1 n GLY 4031N 1.50 1.80 3.78 -1.41 0.00 -1.08 -0.87 105.19 108.92 1mx1 n GLY 4031Ca 0.06 -1.49 -0.36 0.00 0.00 0.00 0.00 46.02 44.23 1mx1 n GLY 4031CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mx1 s LYS 4032N -1.84 4.41 -0.01 1.61 1.02 -1.26 -1.62 119.74 122.05 1mx1 s LYS 4032Ca 0.00 1.38 0.04 0.00 0.02 0.00 0.00 55.97 57.41 1mx1 s LYS 4032Cb 0.00 -2.66 -0.01 0.00 -0.52 0.00 0.00 37.83 34.65 1mx1 s LYS 4032CO 0.00 0.10 -0.12 0.14 -0.92 0.00 0.00 175.35 174.55 1mx1 s VAL 4033N -1.68 0.98 -0.20 3.17 -7.23 0.20 -0.93 120.40 114.70 1mx1 s VAL 4033Ca 0.54 -0.52 -0.06 0.00 -1.81 0.00 0.00 61.98 60.13 1mx1 s VAL 4033Cb -0.19 -0.82 -0.03 0.00 0.56 0.00 0.00 36.38 35.90 1mx1 s VAL 4033CO 0.24 0.28 0.02 -0.22 -0.31 0.00 0.00 175.10 175.12 1mx1 s LEU 4034N -0.21 3.39 0.00 1.32 2.96 0.49 -1.08 118.68 125.55 1mx1 s LEU 4034Ca 0.03 -0.15 0.00 0.00 -0.22 0.00 0.00 54.13 53.79 1mx1 s LEU 4034Cb -0.06 -1.87 0.00 0.00 0.50 0.00 0.00 46.19 44.77 1mx1 s LEU 4034CO -0.00 0.07 0.00 0.61 -1.32 0.00 0.00 176.35 175.71 1mx1 n GLY 4035N 4.23 4.42 3.14 7.98 0.00 0.04 -0.56 105.19 124.44 1mx1 n GLY 4035Ca -0.17 -1.92 -0.12 0.00 0.00 0.00 0.00 46.02 43.82 1mx1 n GLY 4035CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mx1 s LYS 4036N 2.43 0.51 0.01 1.61 -2.85 -0.36 -4.21 119.74 116.88 1mx1 s LYS 4036Ca 0.00 -0.26 -0.16 0.00 -1.00 0.00 0.00 55.97 54.54 1mx1 s LYS 4036Cb 0.00 0.22 -0.06 0.00 -2.06 0.00 0.00 37.83 35.93 1mx1 s LYS 4036CO 0.00 -0.13 0.46 -0.06 0.10 0.00 0.00 175.35 175.72 1mx1 s PHE 4037N -1.21 3.74 -0.03 1.78 2.99 -1.26 -0.39 117.98 123.59 1mx1 s PHE 4037Ca -0.13 1.06 -0.01 0.00 0.00 0.00 0.00 56.93 57.85 1mx1 s PHE 4037Cb -0.06 -2.36 0.03 0.00 0.00 0.00 0.00 43.02 40.62 1mx1 s PHE 4037CO 0.02 0.60 0.05 0.08 -0.00 0.00 0.00 175.22 175.97 1mx1 s VAL 4038N -0.96 -0.09 0.15 -0.44 1.01 -0.13 -4.96 120.40 114.98 1mx1 s VAL 4038Ca 0.25 0.34 -0.05 0.00 0.00 0.00 0.00 61.98 62.52 1mx1 s VAL 4038Cb -0.17 -0.13 -0.05 0.00 0.00 0.00 0.00 36.38 36.02 1mx1 s VAL 4038CO 0.15 0.14 0.38 -0.44 0.00 0.00 0.00 175.10 175.33 1mx1 s SER 4039N 1.71 6.48 0.03 3.32 0.01 -1.26 -0.33 113.70 123.67 1mx1 s SER 4039Ca -0.01 0.58 0.08 0.00 1.31 0.00 0.00 55.95 57.91 1mx1 s SER 4039Cb -0.12 -2.09 -0.02 0.00 0.21 0.00 0.00 66.02 63.99 1mx1 s SER 4039CO -0.03 0.04 -0.23 -0.22 0.41 0.00 0.00 173.24 173.20 1mx1 s LEU 4040N -2.73 2.14 0.13 2.44 2.96 -1.26 -4.98 118.68 117.39 1mx1 s LEU 4040Ca 0.41 -0.53 -0.31 0.00 -0.22 0.00 0.00 54.13 53.48 1mx1 s LEU 4040Cb -0.12 -1.13 -0.10 0.00 0.50 0.00 0.00 46.19 45.34 1mx1 s LEU 4040CO 0.25 0.22 1.82 -0.70 -1.32 0.00 0.00 176.35 176.62 1mx1 s GLU 4041N -1.07 4.14 0.00 1.98 2.12 -1.26 -1.99 118.70 122.62 1mx1 s GLU 4041Ca 0.09 2.59 0.00 0.00 0.36 0.00 0.00 54.97 58.02 1mx1 s GLU 4041Cb -0.09 -3.56 0.00 0.00 0.26 0.00 0.00 34.13 30.74 1mx1 s GLU 4041CO 0.01 -0.84 0.00 0.41 -0.54 0.00 0.00 175.26 174.31 1mx1 n GLY 4042N 4.21 0.42 2.81 -1.50 0.00 -1.26 -5.07 105.19 104.81 1mx1 n GLY 4042Ca 0.18 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.96 1mx1 n GLY 4042CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1mx1 s PHE 4043N -2.00 0.83 0.04 1.61 0.40 -0.84 -5.04 117.98 112.98 1mx1 s PHE 4043Ca 0.00 -0.28 -0.23 0.00 -0.60 0.00 0.00 56.93 55.83 1mx1 s PHE 4043Cb 0.00 -0.86 -0.15 0.00 0.51 0.00 0.00 43.02 42.52 1mx1 s PHE 4043CO 0.00 -0.34 1.47 0.00 0.70 0.00 0.00 175.22 177.05 1mx1 h ALA 4044N 8.12 0.12 -2.27 5.36 0.00 -1.98 -3.39 119.26 125.22 1mx1 h ALA 4044Ca -0.24 -0.17 -0.55 0.00 0.00 0.00 0.00 54.91 53.94 1mx1 h ALA 4044Cb 1.13 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1mx1 h ALA 4044CO 0.32 -0.21 1.05 -1.14 0.00 0.00 0.00 179.25 179.27 1mx1 s GLN 4045N -4.99 4.19 0.49 0.00 2.00 -1.26 -4.99 119.66 115.11 1mx1 s GLN 4045Ca -0.14 2.13 -0.20 0.00 -2.00 0.00 0.00 55.36 55.15 1mx1 s GLN 4045Cb 0.05 -3.92 -0.08 0.00 0.80 0.00 0.00 33.01 29.86 1mx1 s GLN 4045CO 0.70 -0.81 1.02 -1.25 -0.50 0.00 0.00 175.29 174.45 1mx1 s PRO 4046N 3.80 3.84 -0.00 1.67 0.04 -1.26 -4.79 135.00 138.30 1mx1 s PRO 4046Ca 0.71 1.26 -0.22 0.00 0.04 0.00 0.00 61.00 62.79 1mx1 s PRO 4046Cb -0.32 -2.11 -0.05 0.00 0.04 0.00 0.00 34.50 32.06 1mx1 s PRO 4046CO 0.28 -0.38 0.67 0.08 0.04 0.00 0.00 177.00 177.69 1mx1 s VAL 4047N -2.12 4.88 -0.18 -0.36 1.01 0.55 -4.83 120.40 119.35 1mx1 s VAL 4047Ca 0.65 1.40 -0.22 0.00 0.00 0.00 0.00 61.98 63.81 1mx1 s VAL 4047Cb -0.14 -4.01 -0.02 0.00 0.00 0.00 0.00 36.38 32.20 1mx1 s VAL 4047CO 0.21 0.37 0.67 0.00 0.00 0.00 0.00 175.10 176.35 1mx1 s ALA 4048N 0.05 3.52 -0.11 5.51 0.00 0.26 -0.96 121.76 130.03 1mx1 s ALA 4048Ca 0.35 -0.17 0.03 0.00 0.00 0.00 0.00 51.96 52.17 1mx1 s ALA 4048Cb -0.19 -3.01 0.00 0.00 0.00 0.00 0.00 23.12 19.92 1mx1 s ALA 4048CO 0.19 -0.52 -0.22 0.42 0.00 0.00 0.00 175.76 175.63 1mx1 s ILE 4049N 1.82 2.15 -0.16 0.00 1.01 0.47 -1.35 121.20 125.14 1mx1 s ILE 4049Ca 0.31 -0.98 0.01 0.00 0.00 0.00 0.00 60.65 60.00 1mx1 s ILE 4049Cb -0.16 -1.84 0.02 0.00 0.01 0.00 0.00 42.46 40.49 1mx1 s ILE 4049CO 0.11 0.55 -0.20 -0.36 0.00 0.00 0.00 174.94 175.05 1mx1 s PHE 4050N 0.49 2.63 -0.14 3.97 0.40 0.00 -1.22 117.98 124.10 1mx1 s PHE 4050Ca -0.15 -1.47 -0.01 0.00 -0.60 0.00 0.00 56.93 54.70 1mx1 s PHE 4050Cb -0.17 -1.82 -0.02 0.00 0.51 0.00 0.00 43.02 41.52 1mx1 s PHE 4050CO 0.06 -0.72 -0.10 -0.51 0.70 0.00 0.00 175.22 174.65 1mx1 s LEU 4051N 1.17 2.90 -0.18 -0.37 1.43 0.18 -0.61 118.68 123.20 1mx1 s LEU 4051Ca 0.01 -0.25 -0.00 0.00 -1.03 0.00 0.00 54.13 52.85 1mx1 s LEU 4051Cb -0.14 -1.67 0.00 0.00 0.03 0.00 0.00 46.19 44.41 1mx1 s LEU 4051CO -0.09 0.17 0.15 0.61 0.23 0.00 0.00 176.35 177.42 1mx1 n GLY 4052N 3.51 0.46 3.65 -3.19 0.00 -1.20 -3.62 105.19 104.80 1mx1 n GLY 4052Ca -0.18 -0.44 -0.40 0.00 0.00 0.00 0.00 46.02 44.99 1mx1 n GLY 4052CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1mx1 s ILE 4053N -3.05 5.00 0.05 -0.61 1.01 -0.82 -4.85 121.20 117.93 1mx1 s ILE 4053Ca 0.03 1.18 -0.31 0.00 0.00 0.00 0.00 60.65 61.55 1mx1 s ILE 4053Cb -0.01 -3.95 -0.06 0.00 0.01 0.00 0.00 42.46 38.45 1mx1 s ILE 4053CO 0.11 0.08 1.25 -2.16 0.00 0.00 0.00 174.94 174.21 1mx1 s PRO 4054N 2.12 4.39 0.00 2.79 0.04 -1.26 -1.84 135.00 141.24 1mx1 s PRO 4054Ca 0.28 1.82 0.11 0.00 0.04 0.00 0.00 61.00 63.25 1mx1 s PRO 4054Cb -0.16 -3.38 0.14 0.00 0.04 0.00 0.00 34.50 31.14 1mx1 s PRO 4054CO 0.10 -0.34 0.95 1.97 0.04 0.00 0.00 177.00 179.71 1mx1 n PHE 4055N 4.23 0.10 -3.75 0.56 1.16 -1.18 -4.89 117.46 113.68 1mx1 n PHE 4055Ca 0.10 -0.11 -0.09 0.00 -1.87 0.00 0.00 57.45 55.49 1mx1 n PHE 4055Cb 0.45 -0.01 -0.02 0.00 -1.61 0.00 0.00 39.48 38.30 1mx1 n PHE 4055CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1mx1 s ALA 4056N -0.96 -1.22 0.22 1.98 0.00 -1.26 -4.41 121.76 116.11 1mx1 s ALA 4056Ca 0.16 -0.14 -0.30 0.00 0.00 0.00 0.00 51.96 51.67 1mx1 s ALA 4056Cb 0.10 0.87 -0.08 0.00 0.00 0.00 0.00 23.12 24.01 1mx1 s ALA 4056CO 0.15 -0.94 1.02 0.21 0.00 0.00 0.00 175.76 176.20 1mx1 s LYS 4057N -3.88 4.73 -0.06 0.00 2.20 0.11 -4.46 119.74 118.38 1mx1 s LYS 4057Ca 0.09 1.61 -0.35 0.00 -0.36 0.00 0.00 55.97 56.96 1mx1 s LYS 4057Cb -0.04 -3.27 -0.13 0.00 -1.51 0.00 0.00 37.83 32.88 1mx1 s LYS 4057CO 0.01 0.31 1.76 -2.30 -0.36 0.00 0.00 175.35 174.78 1mx1 n PRO 4058N 1.75 1.92 -0.99 4.03 -0.02 -1.26 -4.61 135.00 135.82 1mx1 n PRO 4058Ca -0.00 0.70 -0.29 0.00 -2.02 0.00 0.00 63.50 61.88 1mx1 n PRO 4058Cb 0.47 -2.49 -0.02 0.00 -0.02 0.00 0.00 33.50 31.43 1mx1 n PRO 4058CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1mx1 n PRO 4059N 5.52 2.73 -3.59 0.52 -0.04 -1.26 -4.91 135.00 133.98 1mx1 n PRO 4059Ca 0.22 -1.77 -0.20 0.00 -0.04 0.00 0.00 63.50 61.71 1mx1 n PRO 4059Cb 0.26 -2.61 -0.02 0.00 -0.04 0.00 0.00 33.50 31.09 1mx1 n PRO 4059CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1mx1 s LEU 4060N 0.18 3.68 0.00 1.53 1.43 -1.26 -3.92 118.68 120.32 1mx1 s LEU 4060Ca 0.52 -0.44 0.00 0.00 -1.03 0.00 0.00 54.13 53.18 1mx1 s LEU 4060Cb 0.13 -2.40 0.00 0.00 0.03 0.00 0.00 46.19 43.96 1mx1 s LEU 4060CO -0.04 -0.47 0.00 0.61 0.23 0.00 0.00 176.35 176.68 1mx1 n GLY 4061N -1.53 3.35 0.09 -3.19 0.00 -1.26 -0.96 105.19 101.69 1mx1 n GLY 4061Ca 0.01 0.09 0.09 0.00 0.00 0.00 0.00 46.02 46.21 1mx1 n GLY 4061CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1mx1 n PRO 4062N 14.00 0.11 0.00 1.61 -0.04 -1.26 -2.22 135.00 147.20 1mx1 n PRO 4062Ca 0.00 0.46 0.15 0.00 -0.04 0.00 0.00 63.50 64.07 1mx1 n PRO 4062Cb 0.00 -1.77 0.78 0.00 -0.04 0.00 0.00 33.50 32.47 1mx1 n PRO 4062CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1mx1 n LEU 4063N -2.00 0.21 -4.75 1.53 4.77 -0.13 -4.79 117.00 111.84 1mx1 n LEU 4063Ca 0.01 0.06 -0.41 0.00 -0.03 0.00 0.00 56.01 55.64 1mx1 n LEU 4063Cb 0.13 -0.13 -0.04 0.00 -2.33 0.00 0.00 43.42 41.05 1mx1 n LEU 4063CO 0.13 0.04 0.84 -0.60 -1.33 0.00 0.00 177.39 176.47 1mx1 s ARG 4064N -2.30 4.56 -1.18 3.23 3.52 -0.94 -3.15 118.95 122.69 1mx1 s ARG 4064Ca 0.37 1.87 -0.03 0.00 -0.13 0.00 0.00 55.73 57.81 1mx1 s ARG 4064Cb 0.21 -3.20 0.00 0.00 -1.56 0.00 0.00 34.95 30.40 1mx1 s ARG 4064CO 0.42 0.07 0.34 1.19 -0.81 0.00 0.00 175.30 176.51 1mx1 n PHE 4065N 1.63 -1.27 -4.08 5.12 3.72 -1.26 -5.01 117.46 116.31 1mx1 n PHE 4065Ca 0.01 0.29 -0.07 0.00 -0.05 0.00 0.00 57.45 57.63 1mx1 n PHE 4065Cb 0.44 -3.48 -0.10 0.00 -0.94 0.00 0.00 39.48 35.41 1mx1 n PHE 4065CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1mx1 s THR 4066N -2.95 0.21 0.64 4.37 -4.23 -1.19 -4.88 115.64 107.62 1mx1 s THR 4066Ca 0.17 -1.73 -0.18 0.00 -1.18 0.00 0.00 61.69 58.77 1mx1 s THR 4066Cb -0.07 -1.41 -0.03 0.00 1.34 0.00 0.00 72.50 72.32 1mx1 s THR 4066CO 0.21 -0.96 1.03 -2.65 -0.54 0.00 0.00 174.62 171.71 1mx1 n PRO 4067N 0.23 0.84 -2.16 3.99 -0.02 -1.26 -4.93 135.00 131.69 1mx1 n PRO 4067Ca -0.15 0.34 -0.37 0.00 -2.02 0.00 0.00 63.50 61.30 1mx1 n PRO 4067Cb 0.61 -2.25 0.01 0.00 -0.02 0.00 0.00 33.50 31.84 1mx1 n PRO 4067CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1mx1 s PRO 4068N -3.01 3.50 0.24 0.52 0.04 -1.26 -5.04 135.00 129.99 1mx1 s PRO 4068Ca 0.77 1.82 0.11 0.00 0.04 0.00 0.00 61.00 63.74 1mx1 s PRO 4068Cb -0.39 -2.25 -0.05 0.00 0.04 0.00 0.00 34.50 31.85 1mx1 s PRO 4068CO 0.46 -0.78 -0.13 -0.65 0.04 0.00 0.00 177.00 175.94 1mx1 s GLN 4069N -2.91 1.91 0.50 4.56 -0.21 -1.26 -4.99 119.66 117.25 1mx1 s GLN 4069Ca 0.68 -1.52 -0.23 0.00 0.02 0.00 0.00 55.36 54.31 1mx1 s GLN 4069Cb -0.30 -1.98 -0.07 0.00 1.00 0.00 0.00 33.01 31.66 1mx1 s GLN 4069CO 0.35 0.37 1.19 -2.30 -2.12 0.00 0.00 175.29 172.78 1mx1 n PRO 4070N -0.41 1.55 -2.42 2.91 -0.02 -1.26 0.09 135.00 135.44 1mx1 n PRO 4070Ca -0.08 0.56 -0.37 0.00 -2.02 0.00 0.00 63.50 61.60 1mx1 n PRO 4070Cb 0.58 -2.34 -0.03 0.00 -0.02 0.00 0.00 33.50 31.69 1mx1 n PRO 4070CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1mx1 s ALA 4071N -1.31 3.02 0.22 3.55 0.00 -1.26 -3.73 121.76 122.26 1mx1 s ALA 4071Ca 0.68 0.80 -0.30 0.00 0.00 0.00 0.00 51.96 53.13 1mx1 s ALA 4071Cb -0.47 -3.32 -0.09 0.00 0.00 0.00 0.00 23.12 19.25 1mx1 s ALA 4071CO 0.53 -0.41 1.16 -1.21 0.00 0.00 0.00 175.76 175.82 1mx1 s GLU 4072N -2.64 4.55 0.82 0.00 0.41 -1.26 -4.92 118.70 115.65 1mx1 s GLU 4072Ca 0.61 1.85 -0.10 0.00 -0.41 0.00 0.00 54.97 56.91 1mx1 s GLU 4072Cb -0.24 -3.22 0.09 0.00 -1.78 0.00 0.00 34.13 28.97 1mx1 s GLU 4072CO 0.30 0.03 1.11 -1.25 -0.49 0.00 0.00 175.26 174.95 1mx1 s PRO 4073N -0.73 1.84 0.10 0.39 0.04 -1.26 -5.02 135.00 130.35 1mx1 s PRO 4073Ca 0.49 1.25 0.04 0.00 0.04 0.00 0.00 61.00 62.82 1mx1 s PRO 4073Cb -0.32 -1.84 -0.04 0.00 0.04 0.00 0.00 34.50 32.34 1mx1 s PRO 4073CO 0.39 -1.96 -0.10 1.67 0.04 0.00 0.00 177.00 177.04 1mx1 s TRP 4074N -2.84 1.06 0.48 0.56 -2.14 -0.05 -5.04 118.94 110.97 1mx1 s TRP 4074Ca 0.63 -0.65 0.02 0.00 2.66 0.00 0.00 56.10 58.76 1mx1 s TRP 4074Cb -0.19 -0.58 0.01 0.00 -3.10 0.00 0.00 33.47 29.62 1mx1 s TRP 4074CO 0.57 -0.00 0.68 -1.12 -2.66 0.00 0.00 176.95 174.41 1mx1 s SER 4075N -2.43 5.59 0.97 -2.66 0.01 -1.26 -4.52 113.70 109.41 1mx1 s SER 4075Ca 0.05 0.02 0.00 0.00 1.31 0.00 0.00 55.95 57.33 1mx1 s SER 4075Cb -0.03 -1.11 0.00 0.00 0.21 0.00 0.00 66.02 65.09 1mx1 s SER 4075CO -0.00 -0.86 0.00 0.49 0.41 0.00 0.00 173.24 173.28 1mx1 n PHE 4076N -2.11 -0.48 -4.25 2.43 0.99 -1.26 -4.69 117.46 108.08 1mx1 n PHE 4076Ca 0.05 0.00 -0.34 0.00 -0.00 0.00 0.00 57.45 57.16 1mx1 n PHE 4076Cb 0.59 0.15 -0.13 0.00 -1.00 0.00 0.00 39.48 39.08 1mx1 n PHE 4076CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.76 176.84 1mx1 s VAL 4077N 0.00 3.55 -0.08 -4.37 1.01 -1.26 -3.98 120.40 115.26 1mx1 s VAL 4077Ca 0.00 -0.46 -0.22 0.00 0.00 0.00 0.00 61.98 61.30 1mx1 s VAL 4077Cb 0.00 -2.57 -0.04 0.00 0.00 0.00 0.00 36.38 33.77 1mx1 s VAL 4077CO 0.00 0.46 0.65 -0.75 0.00 0.00 0.00 175.10 175.46 1mx1 s LYS 4078N 0.86 4.41 -0.50 2.72 2.20 -0.11 -4.91 119.74 124.40 1mx1 s LYS 4078Ca -0.01 0.77 -0.27 0.00 -0.36 0.00 0.00 55.97 56.10 1mx1 s LYS 4078Cb -0.15 -3.45 0.03 0.00 -1.51 0.00 0.00 37.83 32.75 1mx1 s LYS 4078CO 0.01 0.07 1.05 1.21 -0.36 0.00 0.00 175.35 177.33 1mx1 s ASN 4079N 0.77 6.50 -0.87 1.43 3.84 -1.26 -0.38 114.94 124.98 1mx1 s ASN 4079Ca 0.34 0.15 0.01 0.00 0.21 0.00 0.00 52.86 53.57 1mx1 s ASN 4079Cb -0.17 -2.50 0.32 0.00 -0.55 0.00 0.00 41.25 38.35 1mx1 s ASN 4079CO 0.16 -1.23 1.45 0.00 -2.79 0.00 0.00 177.10 174.69 1mx1 n ALA 4080N 7.68 5.44 -0.16 1.71 0.00 0.28 -4.62 120.51 130.85 1mx1 n ALA 4080Ca 0.08 -4.67 0.00 0.00 0.00 0.00 0.00 53.44 48.85 1mx1 n ALA 4080Cb 0.49 -1.66 0.00 0.00 0.00 0.00 0.00 19.45 18.28 1mx1 n ALA 4080CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1mx1 n THR 4081N 0.04 0.27 -4.61 0.00 -2.24 -1.24 0.49 114.28 107.00 1mx1 n THR 4081Ca 0.39 -0.56 -0.32 0.00 -2.27 0.00 0.00 64.05 61.29 1mx1 n THR 4081Cb 0.32 0.97 -0.11 0.00 -2.10 0.00 0.00 70.33 69.40 1mx1 n THR 4081CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1mx1 s SER 4082N -0.27 4.34 0.21 3.42 0.01 -1.26 -4.88 113.70 115.27 1mx1 s SER 4082Ca 0.00 -0.20 -0.30 0.00 1.31 0.00 0.00 55.95 56.76 1mx1 s SER 4082Cb 0.00 -0.95 -0.09 0.00 0.21 0.00 0.00 66.02 65.20 1mx1 s SER 4082CO 0.00 0.30 1.32 -0.31 0.41 0.00 0.00 173.24 174.96 1mx1 s TYR 4083N -0.91 3.23 0.74 2.43 2.02 -1.26 -3.89 117.35 119.71 1mx1 s TYR 4083Ca 0.15 1.21 -0.11 0.00 -0.37 0.00 0.00 57.07 57.94 1mx1 s TYR 4083Cb -0.11 -3.63 0.03 0.00 -0.40 0.00 0.00 41.96 37.86 1mx1 s TYR 4083CO 0.05 -1.96 1.09 -1.25 -1.57 0.00 0.00 175.55 171.91 1mx1 s PRO 4084N -0.20 2.58 0.85 -1.71 0.04 -1.26 -4.97 135.00 130.33 1mx1 s PRO 4084Ca 0.57 0.63 -0.11 0.00 0.04 0.00 0.00 61.00 62.13 1mx1 s PRO 4084Cb -0.37 -1.98 0.10 0.00 0.04 0.00 0.00 34.50 32.30 1mx1 s PRO 4084CO 0.39 -1.27 1.11 -2.14 0.04 0.00 0.00 177.00 175.13 1mx1 s PRO 4085N -5.22 1.60 0.15 0.56 0.02 -1.26 -4.78 135.00 126.08 1mx1 s PRO 4085Ca 0.59 1.25 0.02 0.00 0.02 0.00 0.00 61.00 62.88 1mx1 s PRO 4085Cb -0.13 -1.82 -0.04 0.00 0.02 0.00 0.00 34.50 32.54 1mx1 s PRO 4085CO 0.53 -2.13 0.29 0.00 -0.33 0.00 0.00 177.00 175.37 1mx1 s MET 4086N -4.80 3.45 0.49 5.54 0.23 0.05 -4.78 119.30 119.48 1mx1 s MET 4086Ca 0.64 -0.56 -0.24 0.00 -1.03 0.00 0.00 55.69 54.50 1mx1 s MET 4086Cb -0.19 -2.95 -0.07 0.00 -1.53 0.00 0.00 34.83 30.08 1mx1 s MET 4086CO 0.57 0.51 1.40 0.00 -2.03 0.00 0.00 175.02 175.48 1mx1 n THR 4088N -0.52 1.05 -3.63 0.00 -1.04 -0.95 -4.67 114.28 104.51 1mx1 n THR 4088Ca 0.07 -0.26 -0.02 0.00 -2.04 0.00 0.00 64.05 61.80 1mx1 n THR 4088Cb 0.43 -0.45 -0.01 0.00 -1.82 0.00 0.00 70.33 68.47 1mx1 n THR 4088CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1mx1 s GLN 4089N -0.53 0.58 -0.43 -2.82 -2.07 -1.26 -4.68 119.66 108.45 1mx1 s GLN 4089Ca 0.74 -0.30 -0.31 0.00 -1.82 0.00 0.00 55.36 53.67 1mx1 s GLN 4089Cb -0.95 0.21 -0.10 0.00 -1.09 0.00 0.00 33.01 31.07 1mx1 s GLN 4089CO 0.55 -0.26 2.31 -3.47 -1.32 0.00 0.00 175.29 173.09 1mx1 n ASP 4090N -0.38 2.15 -0.24 12.60 -0.08 -1.26 -4.81 116.55 124.52 1mx1 n ASP 4090Ca -0.06 0.14 0.12 0.00 -1.51 0.00 0.00 54.79 53.47 1mx1 n ASP 4090Cb 0.61 -1.35 0.39 0.00 2.34 0.00 0.00 41.12 43.12 1mx1 n ASP 4090CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1mx1 h PRO 4091N 14.45 0.64 0.21 -0.67 0.13 -1.98 0.19 132.00 144.98 1mx1 h PRO 4091Ca -0.26 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 64.82 1mx1 h PRO 4091Cb 1.29 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1mx1 h PRO 4091CO 1.08 0.42 -0.10 0.87 -0.23 0.00 0.00 178.00 180.05 1mx1 h LYS 4092N 0.66 -0.27 -0.84 0.86 1.57 -2.00 -2.33 116.57 114.22 1mx1 h LYS 4092Ca 0.42 0.02 0.06 0.00 -1.87 0.00 0.00 60.65 59.27 1mx1 h LYS 4092Cb 0.68 0.06 -0.05 0.00 0.08 0.00 0.00 32.23 33.00 1mx1 h LYS 4092CO -0.18 0.10 0.55 0.00 -0.57 0.00 0.00 179.45 179.36 1mx1 h ALA 4093N -0.46 1.56 0.22 3.86 0.00 -1.93 -0.56 119.26 121.96 1mx1 h ALA 4093Ca -0.03 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1mx1 h ALA 4093Cb 0.50 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1mx1 h ALA 4093CO 0.05 0.32 -0.11 0.78 0.00 0.00 0.00 179.25 180.29 1mx1 h GLY 4094N 0.96 -0.31 1.33 0.00 0.00 -1.00 -1.57 103.07 102.48 1mx1 h GLY 4094Ca 0.36 0.12 -0.07 0.00 0.00 0.00 0.00 47.33 47.73 1mx1 h GLY 4094CO -0.13 -0.11 0.00 -1.61 0.00 0.00 0.00 176.54 174.69 1mx1 h GLN 4095N -0.36 0.81 -0.31 4.80 4.15 -1.03 -1.23 115.11 121.94 1mx1 h GLN 4095Ca -0.03 -0.22 -0.01 0.00 0.77 0.00 0.00 58.65 59.16 1mx1 h GLN 4095Cb 0.28 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.86 1mx1 h GLN 4095CO 0.05 0.82 0.15 1.25 -1.93 0.00 0.00 178.83 179.17 1mx1 h LEU 4096N 0.76 0.40 -0.95 -2.39 5.85 -1.01 -1.42 115.31 116.55 1mx1 h LEU 4096Ca 0.15 -0.12 -0.08 0.00 0.84 0.00 0.00 57.88 58.67 1mx1 h LEU 4096Cb 0.46 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 1mx1 h LEU 4096CO 0.02 0.41 -0.10 0.25 -0.34 0.00 0.00 178.44 178.68 1mx1 h LEU 4097N 0.37 0.64 -0.47 2.25 5.85 -1.11 -1.90 115.31 120.94 1mx1 h LEU 4097Ca 0.11 -0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.63 1mx1 h LEU 4097Cb 0.11 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 1mx1 h LEU 4097CO -0.01 0.77 0.22 -1.28 -0.34 0.00 0.00 178.44 177.79 1mx1 h SER 4098N 0.60 0.62 -0.74 1.25 0.87 -0.89 -1.04 113.55 114.22 1mx1 h SER 4098Ca 0.11 -0.14 -0.06 0.00 -1.23 0.00 0.00 61.79 60.47 1mx1 h SER 4098Cb 0.52 -0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 62.29 1mx1 h SER 4098CO 0.03 0.58 0.22 -0.33 -0.53 0.00 0.00 176.83 176.80 1mx1 h GLU 4099N 0.61 1.16 0.00 2.24 5.08 -0.96 0.27 114.58 122.98 1mx1 h GLU 4099Ca 0.16 -0.26 -0.08 0.00 -1.00 0.00 0.00 59.36 58.19 1mx1 h GLU 4099Cb 0.14 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 1mx1 h GLU 4099CO -0.02 0.99 -0.36 -0.07 -1.00 0.00 0.00 179.01 178.56 1mx1 h LEU 4100N 1.10 0.00 0.00 1.33 3.38 -1.13 -3.33 115.31 116.66 1mx1 h LEU 4100Ca 0.24 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.20 1mx1 h LEU 4100Cb 0.33 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 1mx1 h LEU 4100CO -0.00 0.36 -1.81 0.49 0.09 0.00 0.00 178.44 177.56 1mx1 n PHE 4101N -3.60 0.00 -1.76 1.13 3.01 -0.41 -4.93 117.46 110.90 1mx1 n PHE 4101Ca -0.01 0.00 -0.38 0.00 1.01 0.00 0.00 57.45 58.07 1mx1 n PHE 4101Cb 0.48 -0.41 0.05 0.00 -0.01 0.00 0.00 39.48 39.58 1mx1 n PHE 4101CO 0.00 0.00 0.00 -0.08 1.01 0.00 0.00 176.76 177.69 1mx1 s THR 4102N -3.22 2.02 -2.34 4.37 -1.32 0.92 -4.89 115.64 111.17 1mx1 s THR 4102Ca -0.06 0.02 0.20 0.00 -1.21 0.00 0.00 61.69 60.63 1mx1 s THR 4102Cb 0.11 -3.01 0.24 0.00 -1.51 0.00 0.00 72.50 68.33 1mx1 s THR 4102CO 0.74 -0.00 1.20 -0.46 -2.21 0.00 0.00 174.62 173.88 1mx1 n ASN 4103N -1.16 2.87 -4.88 8.08 6.94 -1.25 -4.98 115.26 120.87 1mx1 n ASN 4103Ca 0.11 -1.87 -0.24 0.00 -0.02 0.00 0.00 54.58 52.57 1mx1 n ASN 4103Cb 0.45 -0.08 -0.04 0.00 -2.36 0.00 0.00 39.78 37.75 1mx1 n ASN 4103CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1mx1 s ARG 4104N -1.54 3.17 0.01 -3.83 1.70 -1.26 -4.24 118.95 112.96 1mx1 s ARG 4104Ca 0.27 -0.83 -0.03 0.00 -0.47 0.00 0.00 55.73 54.67 1mx1 s ARG 4104Cb 0.18 -2.76 -0.01 0.00 -0.57 0.00 0.00 34.95 31.79 1mx1 s ARG 4104CO 0.26 0.46 1.05 0.87 -1.08 0.00 0.00 175.30 176.85 1mx1 h LYS 4105N 1.77 -0.03 -5.31 3.89 1.57 -1.94 -3.40 116.57 113.12 1mx1 h LYS 4105Ca -0.49 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 57.68 1mx1 h LYS 4105Cb 1.22 0.01 -0.13 0.00 0.08 0.00 0.00 32.23 33.40 1mx1 h LYS 4105CO 0.63 -0.02 -0.52 -1.83 -0.57 0.00 0.00 179.45 177.15 1mx1 s GLU 4106N -3.23 4.05 0.42 3.15 1.03 -1.26 -5.06 118.70 117.79 1mx1 s GLU 4106Ca -0.01 -0.26 -0.25 0.00 0.03 0.00 0.00 54.97 54.47 1mx1 s GLU 4106Cb 0.01 -3.32 -0.08 0.00 -0.80 0.00 0.00 34.13 29.93 1mx1 s GLU 4106CO 0.05 0.33 1.29 1.21 -1.33 0.00 0.00 175.26 176.81 1mx1 s ASN 4107N 0.25 6.25 -0.31 0.83 3.04 -1.26 -4.96 114.94 118.77 1mx1 s ASN 4107Ca 0.07 2.62 -0.17 0.00 0.04 0.00 0.00 52.86 55.42 1mx1 s ASN 4107Cb -0.12 -2.63 -0.02 0.00 -1.54 0.00 0.00 41.25 36.94 1mx1 s ASN 4107CO -0.01 -0.89 0.45 -0.63 -3.04 0.00 0.00 177.10 172.99 1mx1 s ILE 4108N -1.29 5.09 0.13 -5.21 -1.09 -1.26 -5.04 121.20 112.52 1mx1 s ILE 4108Ca 0.58 0.46 -0.31 0.00 -2.23 0.00 0.00 60.65 59.15 1mx1 s ILE 4108Cb -0.37 -3.84 -0.08 0.00 -1.58 0.00 0.00 42.46 36.59 1mx1 s ILE 4108CO 0.47 -0.04 1.36 -2.16 -1.23 0.00 0.00 174.94 173.34 1mx1 s PRO 4109N 2.23 4.34 0.21 2.79 0.04 -1.26 -4.99 135.00 138.37 1mx1 s PRO 4109Ca 0.17 2.05 0.10 0.00 0.04 0.00 0.00 61.00 63.36 1mx1 s PRO 4109Cb -0.16 -3.24 -0.04 0.00 0.04 0.00 0.00 34.50 31.09 1mx1 s PRO 4109CO 0.11 -0.39 -0.14 -0.51 0.04 0.00 0.00 177.00 176.11 1mx1 s LEU 4110N 0.88 2.78 0.12 -3.56 1.43 -1.26 -5.14 118.68 113.93 1mx1 s LEU 4110Ca 0.63 -0.75 -0.01 0.00 -1.03 0.00 0.00 54.13 52.97 1mx1 s LEU 4110Cb -0.36 -1.42 -0.04 0.00 0.03 0.00 0.00 46.19 44.39 1mx1 s LEU 4110CO 0.32 0.08 0.29 -0.54 0.23 0.00 0.00 176.35 176.73 1mx1 s LYS 4111N -3.02 3.49 0.32 1.70 1.02 -1.26 -4.91 119.74 117.07 1mx1 s LYS 4111Ca 0.25 -0.38 -0.12 0.00 0.02 0.00 0.00 55.97 55.74 1mx1 s LYS 4111Cb -0.08 -2.95 -0.08 0.00 -0.52 0.00 0.00 37.83 34.21 1mx1 s LYS 4111CO 0.14 0.52 0.68 -0.51 -0.92 0.00 0.00 175.35 175.27 1mx1 s LEU 4112N -2.84 4.03 -0.29 3.17 1.43 -1.26 -0.77 118.68 122.16 1mx1 s LEU 4112Ca 0.37 1.11 -0.28 0.00 -1.03 0.00 0.00 54.13 54.30 1mx1 s LEU 4112Cb -0.12 -3.93 0.19 0.00 0.03 0.00 0.00 46.19 42.36 1mx1 s LEU 4112CO 0.28 -0.22 1.38 -0.55 0.23 0.00 0.00 176.35 177.47 1mx1 s SER 4113N -2.57 -0.05 0.43 2.29 0.15 -0.99 -4.86 113.70 108.10 1mx1 s SER 4113Ca 0.51 0.07 0.23 0.00 0.70 0.00 0.00 55.95 57.47 1mx1 s SER 4113Cb -0.10 0.06 0.49 0.00 -1.71 0.00 0.00 66.02 64.76 1mx1 s SER 4113CO 0.22 -0.04 1.66 -0.33 1.20 0.00 0.00 173.24 175.95 1mx1 h GLU 4114N 2.43 0.00 -5.01 5.44 5.08 -1.95 -2.54 114.58 118.04 1mx1 h GLU 4114Ca -0.15 0.00 -0.72 0.00 -1.00 0.00 0.00 59.36 57.50 1mx1 h GLU 4114Cb 1.19 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 30.28 1mx1 h GLU 4114CO 0.21 0.11 1.41 0.34 -1.00 0.00 0.00 179.01 180.08 1mx1 s ASP 4115N -6.17 6.95 0.00 1.42 2.15 -1.26 -4.42 116.67 115.34 1mx1 s ASP 4115Ca 0.05 -2.72 0.00 0.00 0.43 0.00 0.00 52.55 50.31 1mx1 s ASP 4115Cb 0.06 -2.43 0.00 0.00 -0.30 0.00 0.00 42.92 40.25 1mx1 s ASP 4115CO 0.66 -0.88 0.61 0.00 -0.17 0.00 0.00 175.17 175.39 1mx1 s LEU 4117N -0.32 3.72 0.17 0.00 1.43 -1.26 -4.63 118.68 117.79 1mx1 s LEU 4117Ca 0.00 -2.28 0.03 0.00 -1.03 0.00 0.00 54.13 50.85 1mx1 s LEU 4117Cb 0.00 -2.58 -0.05 0.00 0.03 0.00 0.00 46.19 43.59 1mx1 s LEU 4117CO 0.00 -1.44 -0.03 -0.31 0.23 0.00 0.00 176.35 174.80 1mx1 s TYR 4118N 5.15 1.23 0.04 0.29 1.51 -1.26 -3.11 117.35 121.20 1mx1 s TYR 4118Ca 0.55 -0.93 -0.00 0.00 -1.01 0.00 0.00 57.07 55.68 1mx1 s TYR 4118Cb 0.03 -0.69 -0.03 0.00 -0.11 0.00 0.00 41.96 41.16 1mx1 s TYR 4118CO 0.07 -0.11 -0.03 -0.48 -1.11 0.00 0.00 175.55 173.89 1mx1 s LEU 4119N -3.17 2.36 0.01 -1.29 0.05 -0.77 -2.23 118.68 113.64 1mx1 s LEU 4119Ca 0.21 -0.74 0.06 0.00 0.05 0.00 0.00 54.13 53.71 1mx1 s LEU 4119Cb 0.05 0.12 -0.03 0.00 -2.05 0.00 0.00 46.19 44.28 1mx1 s LEU 4119CO 0.03 -0.43 -0.16 0.20 -0.55 0.00 0.00 176.35 175.43 1mx1 s ASN 4120N -2.18 3.91 -0.09 1.48 0.01 0.12 -1.95 114.94 116.24 1mx1 s ASN 4120Ca -0.04 -0.33 0.04 0.00 -0.71 0.00 0.00 52.86 51.81 1mx1 s ASN 4120Cb -0.01 -0.71 0.00 0.00 0.41 0.00 0.00 41.25 40.93 1mx1 s ASN 4120CO -0.05 0.29 -0.22 -0.63 -1.51 0.00 0.00 177.10 174.98 1mx1 s ILE 4121N -0.86 1.91 -0.29 0.60 1.01 0.22 -0.74 121.20 123.04 1mx1 s ILE 4121Ca 0.14 -0.94 0.03 0.00 0.00 0.00 0.00 60.65 59.88 1mx1 s ILE 4121Cb -0.11 -1.65 0.08 0.00 0.01 0.00 0.00 42.46 40.79 1mx1 s ILE 4121CO 0.04 0.53 -0.03 -0.31 0.00 0.00 0.00 174.94 175.16 1mx1 s TYR 4122N 0.34 3.21 -0.12 3.97 1.51 0.95 -0.82 117.35 126.38 1mx1 s TYR 4122Ca -0.17 -2.43 0.03 0.00 -1.01 0.00 0.00 57.07 53.49 1mx1 s TYR 4122Cb -0.17 -2.20 0.01 0.00 -0.11 0.00 0.00 41.96 39.48 1mx1 s TYR 4122CO 0.08 -0.89 -0.22 -0.08 -1.11 0.00 0.00 175.55 173.33 1mx1 s THR 4123N 1.11 2.01 -1.62 -0.71 -1.32 -0.46 -0.44 115.64 114.21 1mx1 s THR 4123Ca -0.01 -0.97 0.26 0.00 -1.21 0.00 0.00 61.69 59.77 1mx1 s THR 4123Cb -0.19 -1.77 0.24 0.00 -1.51 0.00 0.00 72.50 69.27 1mx1 s THR 4123CO -0.07 0.54 1.57 -0.81 -2.21 0.00 0.00 174.62 173.64 1mx1 n PRO 4124N 3.87 0.69 -1.16 7.08 -0.04 -1.26 -0.57 135.00 143.61 1mx1 n PRO 4124Ca -0.20 -0.39 -0.33 0.00 -0.04 0.00 0.00 63.50 62.55 1mx1 n PRO 4124Cb 0.52 -1.49 0.12 0.00 -0.04 0.00 0.00 33.50 32.61 1mx1 n PRO 4124CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1mx1 s ALA 4125N -2.58 1.92 -0.60 0.55 0.00 -1.26 -4.86 121.76 114.93 1mx1 s ALA 4125Ca 0.23 0.69 -0.20 0.00 0.00 0.00 0.00 51.96 52.67 1mx1 s ALA 4125Cb 0.19 -3.43 0.08 0.00 0.00 0.00 0.00 23.12 19.96 1mx1 s ALA 4125CO 0.54 -2.16 0.78 0.34 0.00 0.00 0.00 175.76 175.27 1mx1 s ASP 4126N -2.46 6.19 0.18 0.00 2.15 -1.26 -4.78 116.67 116.69 1mx1 s ASP 4126Ca 0.70 -1.16 0.13 0.00 0.43 0.00 0.00 52.55 52.65 1mx1 s ASP 4126Cb -0.25 -2.34 0.69 0.00 -0.30 0.00 0.00 42.92 40.72 1mx1 s ASP 4126CO 0.51 -1.18 1.41 0.18 -0.17 0.00 0.00 175.17 175.91 1mx1 n LEU 4127N 6.78 0.33 -0.17 -1.34 4.77 -1.26 -1.64 117.00 124.47 1mx1 n LEU 4127Ca -0.07 0.64 0.15 0.00 -0.03 0.00 0.00 56.01 56.70 1mx1 n LEU 4127Cb 0.44 -0.67 0.67 0.00 -2.33 0.00 0.00 43.42 41.54 1mx1 n LEU 4127CO 0.60 -0.71 0.93 0.35 -1.33 0.00 0.00 177.39 177.23 1mx1 n THR 4128N -1.93 0.00 -3.75 -5.08 -2.24 -1.26 -4.85 114.28 95.17 1mx1 n THR 4128Ca -0.00 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 1mx1 n THR 4128Cb 0.05 -0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.22 1mx1 n THR 4128CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1mx1 n LYS 4129N -0.72 1.42 -4.18 -0.78 5.02 -0.65 -5.14 118.16 113.13 1mx1 n LYS 4129Ca 0.18 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 56.12 1mx1 n LYS 4129Cb 0.25 0.00 -0.13 0.00 -0.02 0.00 0.00 35.03 35.13 1mx1 n LYS 4129CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1mx1 s LYS 4130N -1.24 3.55 0.13 1.97 2.20 -1.26 -4.93 119.74 120.16 1mx1 s LYS 4130Ca 0.00 -0.56 0.06 0.00 -0.36 0.00 0.00 55.97 55.11 1mx1 s LYS 4130Cb 0.00 -2.98 -0.04 0.00 -1.51 0.00 0.00 37.83 33.30 1mx1 s LYS 4130CO 0.00 0.03 -0.13 -0.80 -0.36 0.00 0.00 175.35 174.09 1mx1 s ASN 4131N 0.91 1.98 -0.40 1.43 0.01 -1.26 -5.05 114.94 112.56 1mx1 s ASN 4131Ca -0.00 -0.84 0.10 0.00 -0.71 0.00 0.00 52.86 51.40 1mx1 s ASN 4131Cb -0.15 -0.06 0.31 0.00 0.41 0.00 0.00 41.25 41.76 1mx1 s ASN 4131CO 0.01 -0.17 0.75 0.54 -1.51 0.00 0.00 177.10 176.72 1mx1 n ARG 4132N 0.41 0.90 -2.64 -0.60 5.12 -1.21 -4.10 116.66 114.54 1mx1 n ARG 4132Ca -0.15 -3.00 -0.33 0.00 -1.93 0.00 0.00 57.85 52.44 1mx1 n ARG 4132Cb 0.58 -1.46 -0.05 0.00 -1.16 0.00 0.00 32.46 30.36 1mx1 n ARG 4132CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1mx1 s LEU 4133N -1.96 3.82 0.69 0.55 1.43 -0.57 -4.32 118.68 118.31 1mx1 s LEU 4133Ca 0.35 1.66 -0.17 0.00 -1.03 0.00 0.00 54.13 54.95 1mx1 s LEU 4133Cb 0.29 -4.53 0.02 0.00 0.03 0.00 0.00 46.19 41.99 1mx1 s LEU 4133CO -0.10 -0.47 1.26 -2.16 0.23 0.00 0.00 176.35 175.11 1mx1 s PRO 4134N -3.51 2.30 -0.11 1.29 0.04 -1.26 -0.84 135.00 132.91 1mx1 s PRO 4134Ca 0.61 1.93 0.01 0.00 0.04 0.00 0.00 61.00 63.60 1mx1 s PRO 4134Cb -0.10 -1.83 -0.02 0.00 0.04 0.00 0.00 34.50 32.60 1mx1 s PRO 4134CO 0.20 -1.76 -0.14 0.08 0.04 0.00 0.00 177.00 175.42 1mx1 s VAL 4135N -1.67 2.96 -0.22 -0.36 1.01 0.32 -1.46 120.40 120.97 1mx1 s VAL 4135Ca 0.79 -0.71 0.01 0.00 0.00 0.00 0.00 61.98 62.07 1mx1 s VAL 4135Cb -0.34 -2.22 0.03 0.00 0.00 0.00 0.00 36.38 33.86 1mx1 s VAL 4135CO 0.43 0.54 -0.13 -0.04 0.00 0.00 0.00 175.10 175.89 1mx1 s MET 4136N 0.16 2.74 -0.28 2.72 -1.94 -0.26 0.81 119.30 123.25 1mx1 s MET 4136Ca -0.08 -1.01 -0.11 0.00 -1.71 0.00 0.00 55.69 52.78 1mx1 s MET 4136Cb -0.15 -2.79 -0.04 0.00 2.01 0.00 0.00 34.83 33.86 1mx1 s MET 4136CO 0.05 -0.37 0.17 0.08 -0.01 0.00 0.00 175.02 174.95 1mx1 s VAL 4137N 1.25 5.10 -0.10 -6.03 1.01 0.87 -1.13 120.40 121.36 1mx1 s VAL 4137Ca -0.00 0.03 -0.18 0.00 0.00 0.00 0.00 61.98 61.84 1mx1 s VAL 4137Cb -0.16 -3.45 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 1mx1 s VAL 4137CO -0.08 0.22 0.46 0.86 0.00 0.00 0.00 175.10 176.57 1mx1 s TRP 4138N 1.72 3.54 -0.31 5.22 -0.11 0.14 -1.57 118.94 127.58 1mx1 s TRP 4138Ca 0.07 0.89 0.02 0.00 1.22 0.00 0.00 56.10 58.30 1mx1 s TRP 4138Cb -0.16 -2.51 0.08 0.00 -1.50 0.00 0.00 33.47 29.37 1mx1 s TRP 4138CO 0.09 0.23 -0.01 0.42 -4.62 0.00 0.00 176.95 173.06 1mx1 s ILE 4139N 0.41 2.44 0.87 5.86 1.01 -0.43 -2.48 121.20 128.89 1mx1 s ILE 4139Ca 0.25 -1.86 -0.10 0.00 0.00 0.00 0.00 60.65 58.93 1mx1 s ILE 4139Cb -0.15 -2.57 0.12 0.00 0.01 0.00 0.00 42.46 39.86 1mx1 s ILE 4139CO 0.10 -0.29 1.12 -1.38 0.00 0.00 0.00 174.94 174.49 1mx1 s HIS 4140N 1.06 2.02 0.50 3.97 -3.43 -1.26 -3.49 115.29 114.66 1mx1 s HIS 4140Ca -0.00 1.65 0.05 0.00 -0.80 0.00 0.00 55.06 55.96 1mx1 s HIS 4140Cb -0.20 -3.21 0.09 0.00 -1.43 0.00 0.00 32.58 27.83 1mx1 s HIS 4140CO -0.05 -2.44 0.68 0.41 -2.00 0.00 0.00 174.74 171.34 1mx1 n GLY 4141N -0.40 1.58 0.00 -1.38 0.00 -1.20 -3.47 105.19 100.33 1mx1 n GLY 4141Ca 0.10 -2.15 0.00 0.00 0.00 0.00 0.00 46.02 43.97 1mx1 n GLY 4141CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mx1 n GLY 4142N -0.76 0.00 2.52 -0.02 0.00 -1.26 -4.32 105.19 101.35 1mx1 n GLY 4142Ca 0.13 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.04 1mx1 n GLY 4142CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mx1 n GLY 4143N 0.00 1.06 2.50 -0.02 0.00 -1.26 -0.61 105.19 106.86 1mx1 n GLY 4143Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 1mx1 n GLY 4143CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1mx1 n LEU 4144N -1.37 0.22 -0.04 0.99 4.77 -1.26 -4.79 117.00 115.51 1mx1 n LEU 4144Ca -0.11 0.07 -0.04 0.00 -0.03 0.00 0.00 56.01 55.90 1mx1 n LEU 4144Cb 0.52 -1.66 -0.06 0.00 -2.33 0.00 0.00 43.42 39.89 1mx1 n LEU 4144CO 0.17 -0.57 -0.74 0.23 -1.33 0.00 0.00 177.39 175.15 1mx1 n MET 4145N -1.23 2.51 -3.90 3.23 2.81 0.22 -0.13 117.12 120.62 1mx1 n MET 4145Ca -0.03 0.00 -0.16 0.00 -1.81 0.00 0.00 57.70 55.70 1mx1 n MET 4145Cb 0.30 -1.19 -0.06 0.00 -0.71 0.00 0.00 33.22 31.57 1mx1 n MET 4145CO 0.00 0.00 0.00 1.33 1.51 0.00 0.00 175.97 178.81 1mx1 n VAL 4146N -2.33 0.00 0.00 2.03 0.24 -0.30 -4.31 118.33 113.66 1mx1 n VAL 4146Ca -0.12 -2.03 0.00 0.00 -2.04 0.00 0.00 64.34 60.14 1mx1 n VAL 4146Cb 0.73 1.05 0.00 0.00 -1.47 0.00 0.00 33.84 34.15 1mx1 n VAL 4146CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1mx1 n GLY 4147N -0.54 2.76 3.44 7.63 0.00 -1.26 -4.04 105.19 113.17 1mx1 n GLY 4147Ca 0.06 -2.02 -0.15 0.00 0.00 0.00 0.00 46.02 43.91 1mx1 n GLY 4147CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mx1 s ALA 4148N -2.64 -1.50 0.09 4.61 0.00 -1.26 -4.61 121.76 116.45 1mx1 s ALA 4148Ca 0.00 0.86 -0.14 0.00 0.00 0.00 0.00 51.96 52.67 1mx1 s ALA 4148Cb 0.00 0.26 -0.14 0.00 0.00 0.00 0.00 23.12 23.24 1mx1 s ALA 4148CO 0.00 -0.46 1.31 0.00 0.00 0.00 0.00 175.76 176.61 1mx1 h ALA 4149N 2.87 0.31 0.00 0.00 0.00 -1.93 -3.17 119.26 117.33 1mx1 h ALA 4149Ca -0.30 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.08 1mx1 h ALA 4149Cb 1.19 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1mx1 h ALA 4149CO 0.40 0.56 0.09 0.77 0.00 0.00 0.00 179.25 181.07 1mx1 h SER 4150N 0.42 0.00 -0.26 0.00 0.02 -1.92 -1.02 113.55 110.79 1mx1 h SER 4150Ca -0.02 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.91 1mx1 h SER 4150Cb 1.22 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.75 1mx1 h SER 4150CO 0.13 0.00 0.13 0.74 -1.14 0.00 0.00 176.83 176.69 1mx1 h THR 4151N 0.00 1.11 -3.74 -2.27 2.02 -1.93 -3.41 112.91 104.70 1mx1 h THR 4151Ca 0.00 -0.34 -0.65 0.00 0.77 0.00 0.00 66.41 66.19 1mx1 h THR 4151Cb 0.19 0.75 -0.20 0.00 -1.74 0.00 0.00 68.15 67.14 1mx1 h THR 4151CO 0.00 0.13 -0.56 -0.31 0.37 0.00 0.00 175.52 175.15 1mx1 s TYR 4152N -5.24 3.16 -0.28 3.16 1.51 -0.39 -3.93 117.35 115.35 1mx1 s TYR 4152Ca -0.07 -0.27 -0.18 0.00 -1.01 0.00 0.00 57.07 55.54 1mx1 s TYR 4152Cb 0.17 -2.33 -0.02 0.00 -0.11 0.00 0.00 41.96 39.66 1mx1 s TYR 4152CO 0.73 -0.32 0.54 0.34 -1.11 0.00 0.00 175.55 175.72 1mx1 s ASP 4153N 1.67 6.43 0.00 2.29 3.68 -1.26 -4.96 116.67 124.52 1mx1 s ASP 4153Ca 0.06 0.45 0.19 0.00 2.13 0.00 0.00 52.55 55.39 1mx1 s ASP 4153Cb -0.16 -2.29 0.70 0.00 -1.45 0.00 0.00 42.92 39.73 1mx1 s ASP 4153CO 0.07 -0.34 1.51 0.61 0.13 0.00 0.00 175.17 177.16 1mx1 n GLY 4154N 4.44 0.27 0.30 2.66 0.00 -1.26 -4.46 105.19 107.14 1mx1 n GLY 4154Ca -0.04 -0.40 -0.11 0.00 0.00 0.00 0.00 46.02 45.48 1mx1 n GLY 4154CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1mx1 h LEU 4155N 2.09 -0.84 0.25 0.99 5.85 -1.93 -1.39 115.31 120.33 1mx1 h LEU 4155Ca 0.00 0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 1mx1 h LEU 4155Cb 0.46 0.35 0.00 0.00 0.37 0.00 0.00 40.66 41.85 1mx1 h LEU 4155CO 0.00 -0.33 -0.12 0.00 -0.34 0.00 0.00 178.44 177.65 1mx1 h ALA 4156N 0.46 -0.34 -0.58 1.25 0.00 -1.82 -1.71 119.26 116.52 1mx1 h ALA 4156Ca 0.08 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.91 1mx1 h ALA 4156Cb 0.50 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 1mx1 h ALA 4156CO -0.28 -0.66 0.36 1.25 0.00 0.00 0.00 179.25 179.92 1mx1 h LEU 4157N -0.40 0.61 0.20 0.00 5.85 -1.75 0.10 115.31 119.92 1mx1 h LEU 4157Ca -0.03 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 1mx1 h LEU 4157Cb 0.30 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.20 1mx1 h LEU 4157CO 0.06 0.43 -0.10 0.00 -0.34 0.00 0.00 178.44 178.49 1mx1 h ALA 4158N 1.24 -0.28 -0.05 1.25 0.00 -1.19 -1.76 119.26 118.48 1mx1 h ALA 4158Ca 0.22 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1mx1 h ALA 4158Cb -0.02 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1mx1 h ALA 4158CO -0.08 -0.64 0.01 0.00 0.00 0.00 0.00 179.25 178.54 1mx1 h ALA 4159N 0.49 0.07 0.00 0.00 0.00 -1.17 -0.14 119.26 118.51 1mx1 h ALA 4159Ca -0.03 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1mx1 h ALA 4159Cb 0.23 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1mx1 h ALA 4159CO 0.05 -0.29 -0.15 0.45 0.00 0.00 0.00 179.25 179.31 1mx1 h HIS 4160N -0.17 0.00 -0.01 0.00 -0.00 -0.80 -3.27 115.15 110.89 1mx1 h HIS 4160Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.39 1mx1 h HIS 4160Cb 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.70 1mx1 h HIS 4160CO 0.02 0.15 0.00 0.39 -0.00 0.00 0.00 177.93 178.49 1mx1 n GLU 4161N -4.23 0.40 -3.47 2.45 -0.58 -0.66 -5.03 120.64 109.52 1mx1 n GLU 4161Ca -0.02 -0.88 -0.20 0.00 -0.42 0.00 0.00 57.16 55.64 1mx1 n GLU 4161Cb 0.22 -1.02 0.06 0.00 -0.57 0.00 0.00 31.44 30.14 1mx1 n GLU 4161CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1mx1 n ASN 4162N -0.11 -3.97 -4.10 1.62 5.03 -0.08 -5.02 115.26 108.63 1mx1 n ASN 4162Ca 0.01 -0.76 -0.13 0.00 0.87 0.00 0.00 54.58 54.57 1mx1 n ASN 4162Cb 0.10 -4.63 -0.11 0.00 -1.02 0.00 0.00 39.78 34.12 1mx1 n ASN 4162CO 0.00 0.00 0.00 0.68 -1.83 0.00 0.00 177.26 176.11 1mx1 s VAL 4163N -3.46 0.63 -0.19 2.41 -7.23 -1.14 -4.50 120.40 106.92 1mx1 s VAL 4163Ca 0.24 -1.35 -0.20 0.00 -1.81 0.00 0.00 61.98 58.85 1mx1 s VAL 4163Cb -0.05 -0.96 -0.03 0.00 0.56 0.00 0.00 36.38 35.90 1mx1 s VAL 4163CO 0.77 -0.52 0.60 -0.69 -0.31 0.00 0.00 175.10 174.96 1mx1 s VAL 4164N -2.04 5.05 -0.21 1.32 1.01 -0.53 -4.41 120.40 120.58 1mx1 s VAL 4164Ca -0.03 1.14 -0.07 0.00 0.00 0.00 0.00 61.98 63.02 1mx1 s VAL 4164Cb -0.05 -3.92 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 1mx1 s VAL 4164CO -0.01 0.14 0.07 -0.69 0.00 0.00 0.00 175.10 174.61 1mx1 s VAL 4165N 1.75 4.58 -0.13 2.92 1.01 0.41 -1.10 120.40 129.85 1mx1 s VAL 4165Ca 0.28 -0.10 0.03 0.00 0.00 0.00 0.00 61.98 62.19 1mx1 s VAL 4165Cb -0.16 -3.10 0.01 0.00 0.00 0.00 0.00 36.38 33.13 1mx1 s VAL 4165CO 0.11 0.40 -0.22 -0.69 0.00 0.00 0.00 175.10 174.70 1mx1 s VAL 4166N 0.93 2.01 -0.17 2.92 1.01 -0.29 -0.04 120.40 126.77 1mx1 s VAL 4166Ca 0.04 -0.96 -0.03 0.00 0.00 0.00 0.00 61.98 61.03 1mx1 s VAL 4166Cb -0.14 -1.77 -0.02 0.00 0.00 0.00 0.00 36.38 34.45 1mx1 s VAL 4166CO 0.03 0.54 -0.05 0.42 0.00 0.00 0.00 175.10 176.04 1mx1 s THR 4167N 0.70 3.56 0.30 3.92 -4.23 0.08 0.27 115.64 120.25 1mx1 s THR 4167Ca -0.10 -0.46 0.09 0.00 -1.18 0.00 0.00 61.69 60.04 1mx1 s THR 4167Cb -0.16 -2.57 -0.05 0.00 1.34 0.00 0.00 72.50 71.06 1mx1 s THR 4167CO 0.01 0.47 0.01 0.27 -0.54 0.00 0.00 174.62 174.84 1mx1 s ILE 4168N 0.77 3.01 0.27 2.99 -4.36 -1.03 0.13 121.20 122.98 1mx1 s ILE 4168Ca -0.02 -1.94 0.08 0.00 -0.26 0.00 0.00 60.65 58.51 1mx1 s ILE 4168Cb -0.15 -2.80 -0.05 0.00 1.25 0.00 0.00 42.46 40.71 1mx1 s ILE 4168CO 0.02 -0.29 -0.11 -1.10 0.24 0.00 0.00 174.94 173.71 1mx1 s GLN 4169N -3.70 1.55 -0.07 0.37 -0.21 -0.95 -4.34 119.66 112.32 1mx1 s GLN 4169Ca 0.33 -1.76 -0.31 0.00 0.02 0.00 0.00 55.36 53.65 1mx1 s GLN 4169Cb -0.04 -1.32 0.07 0.00 1.00 0.00 0.00 33.01 32.73 1mx1 s GLN 4169CO 0.20 0.13 0.69 1.52 -2.12 0.00 0.00 175.29 175.71 1mx1 s TYR 4170N -2.87 -0.66 0.26 0.91 1.13 -1.26 -4.65 117.35 110.21 1mx1 s TYR 4170Ca 0.28 1.17 -0.30 0.00 -1.41 0.00 0.00 57.07 56.82 1mx1 s TYR 4170Cb 0.01 0.40 -0.14 0.00 -1.10 0.00 0.00 41.96 41.13 1mx1 s TYR 4170CO 0.12 -0.59 1.13 0.54 -2.51 0.00 0.00 175.55 174.24 1mx1 n ARG 4171N 1.03 1.47 -4.26 -3.49 1.74 -1.26 -4.86 116.66 107.03 1mx1 n ARG 4171Ca -0.18 0.52 -0.25 0.00 -0.77 0.00 0.00 57.85 57.16 1mx1 n ARG 4171Cb 0.57 -1.98 -0.08 0.00 -1.02 0.00 0.00 32.46 29.95 1mx1 n ARG 4171CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1mx1 s LEU 4172N 0.32 3.05 0.00 0.55 1.43 -1.26 -4.19 118.68 118.58 1mx1 s LEU 4172Ca 0.63 -1.13 0.00 0.00 -1.03 0.00 0.00 54.13 52.61 1mx1 s LEU 4172Cb -0.72 -1.31 0.00 0.00 0.03 0.00 0.00 46.19 44.19 1mx1 s LEU 4172CO 0.57 -0.48 0.00 0.61 0.23 0.00 0.00 176.35 177.28 1mx1 n GLY 4173N -1.14 2.42 0.13 -3.19 0.00 0.81 -1.02 105.19 103.20 1mx1 n GLY 4173Ca -0.02 -0.10 -0.07 0.00 0.00 0.00 0.00 46.02 45.82 1mx1 n GLY 4173CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1mx1 h ILE 4174N 0.00 0.74 -0.10 -0.61 2.04 -1.93 0.26 117.51 117.90 1mx1 h ILE 4174Ca 0.00 -0.01 -0.00 0.00 1.00 0.00 0.00 64.86 65.85 1mx1 h ILE 4174Cb 0.00 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 36.79 1mx1 h ILE 4174CO 0.00 0.00 0.05 -0.50 0.00 0.00 0.00 178.15 177.71 1mx1 h TRP 4175N 0.02 0.13 0.00 1.37 6.55 -1.85 -1.80 115.95 120.37 1mx1 h TRP 4175Ca 0.14 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.98 1mx1 h TRP 4175Cb 0.20 -0.04 0.00 0.00 -0.86 0.00 0.00 29.16 28.46 1mx1 h TRP 4175CO -0.26 0.10 -1.68 0.41 -1.05 0.00 0.00 178.44 175.96 1mx1 n GLY 4176N -1.48 -1.02 0.25 1.49 0.00 -0.19 -4.55 105.19 99.69 1mx1 n GLY 4176Ca -0.01 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.47 1mx1 n GLY 4176CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1mx1 n PHE 4177N -2.05 0.00 -1.94 1.61 3.72 0.83 -0.60 117.46 119.03 1mx1 n PHE 4177Ca -0.02 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.96 1mx1 n PHE 4177Cb 0.50 -0.01 -0.03 0.00 -0.94 0.00 0.00 39.48 39.01 1mx1 n PHE 4177CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 176.76 176.83 1mx1 s PHE 4178N 0.00 1.88 -0.03 1.38 2.19 -0.69 -4.60 117.98 118.11 1mx1 s PHE 4178Ca 0.00 0.08 0.03 0.00 0.33 0.00 0.00 56.93 57.37 1mx1 s PHE 4178Cb 0.00 -3.98 -0.00 0.00 -1.31 0.00 0.00 43.02 37.73 1mx1 s PHE 4178CO 0.00 -4.16 -0.12 0.45 1.83 0.00 0.00 175.22 173.21 1mx1 s SER 4179N 3.49 1.57 0.00 6.13 0.15 -1.26 -4.19 113.70 119.59 1mx1 s SER 4179Ca 0.76 -0.25 0.24 0.00 0.70 0.00 0.00 55.95 57.41 1mx1 s SER 4179Cb -0.35 -0.37 0.29 0.00 -1.71 0.00 0.00 66.02 63.88 1mx1 s SER 4179CO 0.32 0.11 1.30 0.35 1.20 0.00 0.00 173.24 176.52 1mx1 n THR 4180N 3.12 0.00 -0.54 6.45 -2.24 -0.49 -4.47 114.28 116.11 1mx1 n THR 4180Ca -0.17 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.23 1mx1 n THR 4180Cb 0.54 1.23 0.00 0.00 -2.10 0.00 0.00 70.33 70.00 1mx1 n THR 4180CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mx1 n GLY 4181N 1.34 1.26 0.00 3.38 0.00 -1.25 -4.61 105.19 105.31 1mx1 n GLY 4181Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1mx1 n GLY 4181CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1mx1 n ASP 4182N 0.00 0.29 0.31 1.61 3.85 -1.26 -5.03 116.55 116.32 1mx1 n ASP 4182Ca 0.00 -0.81 0.20 0.00 -0.71 0.00 0.00 54.79 53.47 1mx1 n ASP 4182Cb 0.00 0.00 0.99 0.00 -1.35 0.00 0.00 41.12 40.76 1mx1 n ASP 4182CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.20 177.24 1mx1 h GLU 4183N 0.00 0.00 0.00 0.11 9.09 -1.96 -2.62 114.58 119.20 1mx1 h GLU 4183Ca 0.00 0.00 -0.05 0.00 0.05 0.00 0.00 59.36 59.36 1mx1 h GLU 4183Cb 0.00 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.09 1mx1 h GLU 4183CO 0.00 0.00 -0.22 0.45 0.05 0.00 0.00 179.01 179.29 1mx1 h HIS 4184N 0.00 0.00 -0.82 2.06 3.86 -1.96 -3.38 115.15 114.90 1mx1 h HIS 4184Ca 0.00 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.10 1mx1 h HIS 4184Cb 0.20 0.00 -0.16 0.00 1.06 0.00 0.00 27.41 28.52 1mx1 h HIS 4184CO 0.00 0.22 -0.41 0.45 0.86 0.00 0.00 177.93 179.05 1mx1 s SER 4185N -6.17 -1.19 0.18 2.45 0.15 -1.10 -4.97 113.70 103.05 1mx1 s SER 4185Ca 0.01 -1.42 -0.13 0.00 0.70 0.00 0.00 55.95 55.10 1mx1 s SER 4185Cb 0.10 1.56 0.17 0.00 -1.71 0.00 0.00 66.02 66.14 1mx1 s SER 4185CO 0.63 -0.04 1.72 0.03 1.20 0.00 0.00 173.24 176.78 1mx1 h ARG 4186N 4.84 0.22 0.00 5.44 3.08 -1.67 -1.31 114.38 124.98 1mx1 h ARG 4186Ca 0.05 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1mx1 h ARG 4186Cb 1.12 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.12 1mx1 h ARG 4186CO -0.02 0.15 0.00 0.41 -1.07 0.00 0.00 179.97 179.44 1mx1 n GLY 4187N -1.28 -0.79 2.51 0.04 0.00 -1.26 -4.59 105.19 99.82 1mx1 n GLY 4187Ca 0.05 -2.21 -0.20 0.00 0.00 0.00 0.00 46.02 43.66 1mx1 n GLY 4187CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1mx1 n ASN 4188N 0.00 -5.51 -0.33 1.61 3.02 -1.26 -4.87 115.26 107.92 1mx1 n ASN 4188Ca 0.00 0.32 0.07 0.00 -0.03 0.00 0.00 54.58 54.94 1mx1 n ASN 4188Cb 0.00 -4.69 0.24 0.00 -0.61 0.00 0.00 39.78 34.72 1mx1 n ASN 4188CO 0.00 0.00 0.00 -0.50 -2.62 0.00 0.00 177.26 174.14 1mx1 h TRP 4189N 0.00 0.99 -0.92 3.10 -0.00 -1.58 -0.57 115.95 116.97 1mx1 h TRP 4189Ca -0.43 0.03 -0.01 0.00 -0.00 0.00 0.00 58.89 58.48 1mx1 h TRP 4189Cb 1.32 -0.30 -0.04 0.00 -0.00 0.00 0.00 29.16 30.14 1mx1 h TRP 4189CO 0.55 0.33 0.52 0.78 -0.00 0.00 0.00 178.44 180.62 1mx1 h GLY 4190N 0.83 1.36 1.65 1.49 0.00 -1.03 -1.02 103.07 106.36 1mx1 h GLY 4190Ca 0.49 -0.60 -0.15 0.00 0.00 0.00 0.00 47.33 47.06 1mx1 h GLY 4190CO -0.31 0.58 -0.58 0.45 0.00 0.00 0.00 176.54 176.68 1mx1 h HIS 4191N 1.28 0.46 -0.20 5.60 3.86 -1.48 -2.20 115.15 122.47 1mx1 h HIS 4191Ca 0.33 -0.17 -0.06 0.00 -1.16 0.00 0.00 60.37 59.31 1mx1 h HIS 4191Cb 0.00 -0.08 -0.01 0.00 1.06 0.00 0.00 27.41 28.38 1mx1 h HIS 4191CO 0.01 0.85 -0.12 -0.07 0.86 0.00 0.00 177.93 179.46 1mx1 h LEU 4192N 0.27 0.30 -0.58 2.43 3.38 -0.59 -0.75 115.31 119.76 1mx1 h LEU 4192Ca -0.00 -0.07 -0.13 0.00 0.09 0.00 0.00 57.88 57.78 1mx1 h LEU 4192Cb 1.09 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 1mx1 h LEU 4192CO 0.10 0.46 -0.25 0.44 0.09 0.00 0.00 178.44 179.27 1mx1 h ASP 4193N 0.30 0.89 -0.36 -0.43 3.32 -0.82 -0.96 116.42 118.35 1mx1 h ASP 4193Ca 0.06 -0.34 -0.02 0.00 0.02 0.00 0.00 57.03 56.75 1mx1 h ASP 4193Cb 0.41 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 1mx1 h ASP 4193CO 0.02 1.09 0.16 1.56 -1.72 0.00 0.00 179.24 180.36 1mx1 h GLN 4194N 0.74 0.53 -0.63 3.56 4.20 -0.72 -0.99 115.11 121.80 1mx1 h GLN 4194Ca 0.09 -0.08 0.03 0.00 0.06 0.00 0.00 58.65 58.75 1mx1 h GLN 4194Cb 0.80 -0.09 -0.04 0.00 0.30 0.00 0.00 27.48 28.45 1mx1 h GLN 4194CO 0.07 0.49 0.39 0.28 -0.67 0.00 0.00 178.83 179.38 1mx1 h VAL 4195N 0.44 1.08 -0.75 -0.54 2.07 -0.97 -1.45 116.25 116.14 1mx1 h VAL 4195Ca 0.12 -0.26 -0.00 0.00 0.82 0.00 0.00 66.70 67.38 1mx1 h VAL 4195Cb 0.14 0.25 -0.04 0.00 -1.52 0.00 0.00 31.29 30.12 1mx1 h VAL 4195CO -0.01 0.14 0.46 0.00 0.02 0.00 0.00 177.57 178.17 1mx1 h ALA 4196N 1.27 0.95 -0.52 1.67 0.00 -0.71 -0.20 119.26 121.72 1mx1 h ALA 4196Ca 0.25 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 1mx1 h ALA 4196Cb 0.01 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1mx1 h ALA 4196CO -0.10 0.42 0.07 0.00 0.00 0.00 0.00 179.25 179.63 1mx1 h ALA 4197N 1.24 1.14 -0.27 0.00 0.00 -0.77 0.26 119.26 120.86 1mx1 h ALA 4197Ca 0.27 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 1mx1 h ALA 4197Cb -0.05 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1mx1 h ALA 4197CO -0.05 0.56 -0.18 -0.07 0.00 0.00 0.00 179.25 179.52 1mx1 h LEU 4198N 0.79 0.46 -0.41 0.00 3.38 -0.40 -1.09 115.31 118.03 1mx1 h LEU 4198Ca 0.16 -0.13 -0.17 0.00 0.09 0.00 0.00 57.88 57.83 1mx1 h LEU 4198Cb 0.38 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 1mx1 h LEU 4198CO 0.01 0.66 -0.49 0.03 0.09 0.00 0.00 178.44 178.73 1mx1 h ARG 4199N 0.43 0.79 -0.65 1.13 3.08 -0.42 -2.37 114.38 116.36 1mx1 h ARG 4199Ca 0.07 -0.47 0.02 0.00 0.07 0.00 0.00 59.98 59.68 1mx1 h ARG 4199Cb 0.56 0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.61 1mx1 h ARG 4199CO 0.04 1.10 0.41 2.35 -1.07 0.00 0.00 179.97 182.79 1mx1 h TRP 4200N 0.62 0.77 -0.38 3.04 7.01 -0.41 -1.97 115.95 124.62 1mx1 h TRP 4200Ca 0.03 0.02 0.02 0.00 2.11 0.00 0.00 58.89 61.07 1mx1 h TRP 4200Cb 1.07 -0.25 -0.03 0.00 -2.10 0.00 0.00 29.16 27.85 1mx1 h TRP 4200CO 0.06 0.45 0.21 0.28 -2.79 0.00 0.00 178.44 176.65 1mx1 h VAL 4201N 0.81 1.02 -0.94 2.65 2.07 -1.03 0.44 116.25 121.28 1mx1 h VAL 4201Ca 0.25 -0.15 0.09 0.00 0.82 0.00 0.00 66.70 67.71 1mx1 h VAL 4201Cb -0.02 0.55 -0.07 0.00 -1.52 0.00 0.00 31.29 30.23 1mx1 h VAL 4201CO -0.09 0.08 0.59 1.56 0.02 0.00 0.00 177.57 179.73 1mx1 h GLN 4202N 0.43 0.98 0.00 1.57 1.08 -0.92 0.16 115.11 118.41 1mx1 h GLN 4202Ca 0.15 -0.06 -0.04 0.00 -1.45 0.00 0.00 58.65 57.25 1mx1 h GLN 4202Cb 0.03 -0.22 -0.01 0.00 -0.05 0.00 0.00 27.48 27.23 1mx1 h GLN 4202CO -0.08 0.65 -0.50 -0.44 -0.95 0.00 0.00 178.83 177.50 1mx1 h ASP 4203N 1.01 0.00 0.00 1.46 3.32 -0.77 -3.42 116.42 118.03 1mx1 h ASP 4203Ca 0.43 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.48 1mx1 h ASP 4203Cb 0.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.85 1mx1 h ASP 4203CO -0.21 0.18 -0.79 0.59 -1.72 0.00 0.00 179.24 177.28 1mx1 n ASN 4204N -3.01 3.95 -0.06 6.45 3.02 0.09 -4.81 115.26 120.89 1mx1 n ASN 4204Ca 0.01 0.00 0.24 0.00 -0.03 0.00 0.00 54.58 54.80 1mx1 n ASN 4204Cb 0.61 0.71 0.72 0.00 -0.61 0.00 0.00 39.78 41.21 1mx1 n ASN 4204CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 1mx1 h ILE 4205N 0.00 0.57 -0.41 2.41 6.09 -0.87 -0.78 117.51 124.52 1mx1 h ILE 4205Ca 0.00 0.00 0.05 0.00 -1.37 0.00 0.00 64.86 63.54 1mx1 h ILE 4205Cb 0.17 0.63 -0.02 0.00 0.47 0.00 0.00 36.82 38.07 1mx1 h ILE 4205CO 0.00 0.00 0.28 0.00 -3.07 0.00 0.00 178.15 175.36 1mx1 h ALA 4206N 1.59 1.93 0.00 0.18 0.00 -1.79 0.74 119.26 121.91 1mx1 h ALA 4206Ca 0.32 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1mx1 h ALA 4206Cb 1.36 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1mx1 h ALA 4206CO -0.00 -0.00 0.00 0.43 0.00 0.00 0.00 179.25 179.68 1mx1 n SER 4207N -4.48 0.39 -1.08 0.00 7.64 -0.30 -2.47 113.62 113.32 1mx1 n SER 4207Ca 0.05 0.60 0.08 0.00 1.01 0.00 0.00 58.87 60.61 1mx1 n SER 4207Cb 0.22 -0.68 0.28 0.00 -1.01 0.00 0.00 64.21 63.02 1mx1 n SER 4207CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1mx1 n PHE 4208N -1.94 1.16 -0.87 1.43 3.01 0.19 -4.82 117.46 115.62 1mx1 n PHE 4208Ca 0.03 -0.87 0.00 0.00 1.01 0.00 0.00 57.45 57.61 1mx1 n PHE 4208Cb 0.20 -0.36 0.00 0.00 -0.01 0.00 0.00 39.48 39.31 1mx1 n PHE 4208CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1mx1 n GLY 4209N -0.33 0.53 3.78 1.37 0.00 -1.03 -4.75 105.19 104.76 1mx1 n GLY 4209Ca 0.23 -0.29 -0.24 0.00 0.00 0.00 0.00 46.02 45.73 1mx1 n GLY 4209CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1mx1 s GLY 4210N -2.26 1.55 -0.38 -0.02 0.00 -0.83 -1.52 107.32 103.87 1mx1 s GLY 4210Ca 0.00 -1.38 -0.11 0.00 0.00 0.00 0.00 44.72 43.23 1mx1 s GLY 4210CO 0.00 -1.41 0.21 0.21 0.00 0.00 0.00 173.10 172.12 1mx1 s ASN 4211N -3.52 5.75 0.21 1.64 2.47 -0.02 -3.36 114.94 118.10 1mx1 s ASN 4211Ca 0.32 -1.03 0.18 0.00 0.42 0.00 0.00 52.86 52.74 1mx1 s ASN 4211Cb -0.08 -2.03 0.85 0.00 -1.45 0.00 0.00 41.25 38.54 1mx1 s ASN 4211CO 0.23 -0.40 1.54 -0.81 -3.72 0.00 0.00 177.10 173.94 1mx1 n PRO 4212N 5.00 0.12 0.00 0.43 -0.04 -1.26 -1.26 135.00 137.99 1mx1 n PRO 4212Ca -0.12 0.52 0.14 0.00 -0.04 0.00 0.00 63.50 64.00 1mx1 n PRO 4212Cb 0.46 -1.81 0.64 0.00 -0.04 0.00 0.00 33.50 32.76 1mx1 n PRO 4212CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1mx1 n GLY 4213N -0.85 -0.84 2.42 0.55 0.00 -1.26 -4.38 105.19 100.84 1mx1 n GLY 4213Ca 0.00 -0.28 -0.27 0.00 0.00 0.00 0.00 46.02 45.47 1mx1 n GLY 4213CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1mx1 n SER 4214N -0.83 -0.23 -4.28 1.61 2.88 -0.39 -4.91 113.62 107.48 1mx1 n SER 4214Ca 0.16 -2.44 -0.33 0.00 -1.33 0.00 0.00 58.87 54.93 1mx1 n SER 4214Cb 0.26 -0.57 -0.15 0.00 -0.75 0.00 0.00 64.21 63.01 1mx1 n SER 4214CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1mx1 s VAL 4215N -0.08 2.71 -0.12 2.46 1.01 -1.26 -0.52 120.40 124.60 1mx1 s VAL 4215Ca 0.32 -0.76 -0.01 0.00 0.00 0.00 0.00 61.98 61.54 1mx1 s VAL 4215Cb 0.04 -2.14 -0.02 0.00 0.00 0.00 0.00 36.38 34.25 1mx1 s VAL 4215CO -0.20 0.51 -0.10 -0.89 0.00 0.00 0.00 175.10 174.43 1mx1 s THR 4216N 0.77 3.38 -0.12 3.92 2.01 0.24 0.04 115.64 125.87 1mx1 s THR 4216Ca -0.06 -0.56 -0.04 0.00 0.31 0.00 0.00 61.69 61.34 1mx1 s THR 4216Cb -0.15 -2.42 -0.03 0.00 0.01 0.00 0.00 72.50 69.90 1mx1 s THR 4216CO 0.01 0.53 0.02 0.27 -0.69 0.00 0.00 174.62 174.76 1mx1 s ILE 4217N 0.07 4.45 -0.01 1.82 -4.36 -0.03 -0.09 121.20 123.06 1mx1 s ILE 4217Ca -0.03 -0.18 -0.12 0.00 -0.26 0.00 0.00 60.65 60.06 1mx1 s ILE 4217Cb -0.14 -2.92 0.01 0.00 1.25 0.00 0.00 42.46 40.66 1mx1 s ILE 4217CO 0.04 0.56 0.24 0.72 0.24 0.00 0.00 174.94 176.73 1mx1 s PHE 4218N -0.43 -0.09 0.12 1.37 -0.71 -0.61 -0.92 117.98 116.72 1mx1 s PHE 4218Ca 0.08 0.12 -0.25 0.00 -1.04 0.00 0.00 56.93 55.84 1mx1 s PHE 4218Cb -0.12 0.04 0.07 0.00 -1.21 0.00 0.00 43.02 41.80 1mx1 s PHE 4218CO 0.02 -0.34 0.85 0.20 -1.34 0.00 0.00 175.22 174.62 1mx1 s GLY 4219N -1.30 -0.34 -0.04 1.99 0.00 -1.03 -1.31 107.32 105.29 1mx1 s GLY 4219Ca -0.14 0.40 0.06 0.00 0.00 0.00 0.00 44.72 45.05 1mx1 s GLY 4219CO 0.03 0.12 -0.23 1.85 0.00 0.00 0.00 173.10 174.87 1mx1 s GLU 4220N -3.38 2.36 7.95 2.90 -6.30 -1.23 -0.98 118.70 120.02 1mx1 s GLU 4220Ca 0.08 -0.87 0.00 0.00 -2.50 0.00 0.00 54.97 51.68 1mx1 s GLU 4220Cb -0.02 -2.16 0.00 0.00 0.00 0.00 0.00 34.13 31.96 1mx1 s GLU 4220CO -0.03 0.51 0.00 0.43 0.02 0.00 0.00 175.26 176.19 1mx1 n SER 4221N 2.61 0.00 0.08 -1.70 7.64 0.02 -1.70 113.62 120.58 1mx1 n SER 4221Ca -0.17 0.00 0.14 0.00 1.01 0.00 0.00 58.87 59.86 1mx1 n SER 4221Cb 0.52 0.00 0.64 0.00 -1.01 0.00 0.00 64.21 64.35 1mx1 n SER 4221CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1mx1 h ALA 4222N -0.76 2.24 -0.03 -0.43 0.00 -1.85 0.64 119.26 119.06 1mx1 h ALA 4222Ca 0.00 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.73 1mx1 h ALA 4222Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1mx1 h ALA 4222CO 0.00 -0.33 -0.73 0.78 0.00 0.00 0.00 179.25 178.97 1mx1 h GLY 4223N 0.07 0.22 1.70 0.00 0.00 -1.36 0.21 103.07 103.91 1mx1 h GLY 4223Ca 0.16 -0.32 -0.16 0.00 0.00 0.00 0.00 47.33 47.01 1mx1 h GLY 4223CO -0.01 0.28 -0.67 -1.33 0.00 0.00 0.00 176.54 174.81 1mx1 h GLY 4224N 1.69 0.33 1.73 4.60 0.00 -0.01 -1.47 103.07 109.95 1mx1 h GLY 4224Ca -0.02 -0.45 -0.16 0.00 0.00 0.00 0.00 47.33 46.70 1mx1 h GLY 4224CO 0.11 0.40 -0.66 -2.09 0.00 0.00 0.00 176.54 174.31 1mx1 h GLU 4225N 0.21 0.27 -0.28 4.80 4.22 0.18 -1.77 114.58 122.21 1mx1 h GLU 4225Ca -0.02 -0.20 -0.04 0.00 0.08 0.00 0.00 59.36 59.18 1mx1 h GLU 4225Cb 1.22 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.49 1mx1 h GLU 4225CO 0.11 0.83 0.01 0.77 -2.18 0.00 0.00 179.01 178.54 1mx1 h SER 4226N 0.19 0.49 -0.45 1.04 0.02 -0.31 0.12 113.55 114.65 1mx1 h SER 4226Ca -0.01 -0.30 0.01 0.00 -0.84 0.00 0.00 61.79 60.64 1mx1 h SER 4226Cb 1.19 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 63.57 1mx1 h SER 4226CO 0.10 0.67 0.29 0.58 -1.14 0.00 0.00 176.83 177.34 1mx1 h VAL 4227N 0.29 1.11 -0.82 2.27 2.07 -1.21 0.21 116.25 120.16 1mx1 h VAL 4227Ca 0.08 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 1mx1 h VAL 4227Cb 0.42 0.45 -0.04 0.00 -1.52 0.00 0.00 31.29 30.60 1mx1 h VAL 4227CO 0.01 0.11 0.48 -1.28 0.02 0.00 0.00 177.57 176.91 1mx1 h SER 4228N 0.60 0.99 -0.47 0.57 0.87 -1.09 -0.75 113.55 114.27 1mx1 h SER 4228Ca 0.17 -0.07 -0.13 0.00 -1.23 0.00 0.00 61.79 60.53 1mx1 h SER 4228Cb -0.06 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 61.64 1mx1 h SER 4228CO -0.04 0.78 -0.21 0.58 -0.53 0.00 0.00 176.83 177.40 1mx1 h VAL 4229N 1.14 1.27 -0.51 2.23 2.07 0.11 -3.03 116.25 119.53 1mx1 h VAL 4229Ca 0.29 -1.37 -0.08 0.00 0.82 0.00 0.00 66.70 66.36 1mx1 h VAL 4229Cb -0.02 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 1mx1 h VAL 4229CO -0.05 0.47 -0.02 -0.07 0.02 0.00 0.00 177.57 177.92 1mx1 h LEU 4230N 0.86 0.85 -2.23 2.57 3.38 -0.08 -2.20 115.31 118.46 1mx1 h LEU 4230Ca 0.11 -0.23 0.03 0.00 0.09 0.00 0.00 57.88 57.89 1mx1 h LEU 4230Cb 0.79 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 1mx1 h LEU 4230CO 0.07 0.93 0.10 0.58 0.09 0.00 0.00 178.44 180.20 1mx1 h VAL 4231N 0.81 0.65 -0.23 1.22 2.07 -1.03 -0.80 116.25 118.93 1mx1 h VAL 4231Ca 0.15 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.67 1mx1 h VAL 4231Cb 0.51 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 1mx1 h VAL 4231CO 0.03 0.00 0.00 0.18 0.02 0.00 0.00 177.57 177.80 1mx1 n LEU 4232N -4.06 3.17 -4.68 2.57 4.77 -0.87 -2.65 117.00 115.25 1mx1 n LEU 4232Ca -0.00 -1.30 -0.35 0.00 -0.03 0.00 0.00 56.01 54.33 1mx1 n LEU 4232Cb 0.21 -0.14 -0.09 0.00 -2.33 0.00 0.00 43.42 41.07 1mx1 n LEU 4232CO 0.30 0.63 -0.22 -0.55 -1.33 0.00 0.00 177.39 176.21 1mx1 s SER 4233N -1.62 5.85 0.41 -1.43 0.15 -0.31 -4.68 113.70 112.08 1mx1 s SER 4233Ca 0.32 0.15 0.09 0.00 0.70 0.00 0.00 55.95 57.22 1mx1 s SER 4233Cb 0.20 -2.00 0.87 0.00 -1.71 0.00 0.00 66.02 63.38 1mx1 s SER 4233CO 0.29 0.19 1.99 -0.65 1.20 0.00 0.00 173.24 176.27 1mx1 h PRO 4234N 6.58 0.31 0.00 5.44 0.11 -1.86 -2.17 132.00 140.41 1mx1 h PRO 4234Ca -0.39 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1mx1 h PRO 4234Cb 1.16 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1mx1 h PRO 4234CO 0.72 0.32 0.00 -0.07 -0.21 0.00 0.00 178.00 178.76 1mx1 h LEU 4235N 0.31 0.00 -1.78 2.35 3.38 -1.83 -2.54 115.31 115.19 1mx1 h LEU 4235Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1mx1 h LEU 4235Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1mx1 h LEU 4235CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.53 1mx1 n ALA 4236N -1.96 2.46 -1.70 1.53 0.00 -0.82 -4.95 120.51 115.08 1mx1 n ALA 4236Ca -0.00 -0.85 -0.44 0.00 0.00 0.00 0.00 53.44 52.15 1mx1 n ALA 4236Cb 0.18 -0.97 -0.03 0.00 0.00 0.00 0.00 19.45 18.63 1mx1 n ALA 4236CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1mx1 n LYS 4237N 0.88 2.45 -1.65 0.00 5.02 -0.96 -2.06 118.16 121.84 1mx1 n LYS 4237Ca 0.16 0.88 -0.17 0.00 -2.02 0.00 0.00 58.31 57.16 1mx1 n LYS 4237Cb 0.42 -2.67 -0.06 0.00 -0.02 0.00 0.00 35.03 32.69 1mx1 n LYS 4237CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1mx1 n ASN 4238N 3.34 -5.06 -0.00 4.39 3.02 -1.26 -4.86 115.26 114.83 1mx1 n ASN 4238Ca 0.15 0.34 0.07 0.00 -0.03 0.00 0.00 54.58 55.11 1mx1 n ASN 4238Cb 0.32 -4.08 -0.09 0.00 -0.61 0.00 0.00 39.78 35.32 1mx1 n ASN 4238CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1mx1 n LEU 4239N -2.04 0.54 -3.49 3.41 4.77 -0.87 -5.02 117.00 114.29 1mx1 n LEU 4239Ca -0.18 -0.39 -0.13 0.00 -0.03 0.00 0.00 56.01 55.28 1mx1 n LEU 4239Cb 0.58 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.63 1mx1 n LEU 4239CO 0.26 0.14 0.34 0.72 -1.33 0.00 0.00 177.39 177.52 1mx1 s PHE 4240N -2.53 -0.48 0.00 -1.77 -0.71 -1.26 -4.88 117.98 106.35 1mx1 s PHE 4240Ca 0.03 0.39 0.00 0.00 -1.04 0.00 0.00 56.93 56.31 1mx1 s PHE 4240Cb 0.11 0.45 0.00 0.00 -1.21 0.00 0.00 43.02 42.37 1mx1 s PHE 4240CO 0.61 -0.76 0.17 0.72 -1.34 0.00 0.00 175.22 174.62 1mx1 n HIS 4241N -0.04 0.00 -3.71 3.49 8.25 0.11 -4.94 115.22 118.38 1mx1 n HIS 4241Ca -0.17 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.15 1mx1 n HIS 4241Cb 0.63 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.65 1mx1 n HIS 4241CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1mx1 s ARG 4242N -0.46 0.61 0.03 -0.41 0.52 -1.10 -4.02 118.95 114.13 1mx1 s ARG 4242Ca 0.00 0.46 0.04 0.00 -0.52 0.00 0.00 55.73 55.71 1mx1 s ARG 4242Cb 0.00 0.29 -0.02 0.00 0.52 0.00 0.00 34.95 35.74 1mx1 s ARG 4242CO 0.00 -0.11 -0.12 0.00 0.02 0.00 0.00 175.30 175.09 1mx1 s ALA 4243N -0.17 1.00 -0.07 2.13 0.00 -0.60 -0.85 121.76 123.20 1mx1 s ALA 4243Ca -0.03 -0.74 -0.02 0.00 0.00 0.00 0.00 51.96 51.17 1mx1 s ALA 4243Cb -0.03 -0.15 0.03 0.00 0.00 0.00 0.00 23.12 22.97 1mx1 s ALA 4243CO 0.02 0.18 0.03 0.42 0.00 0.00 0.00 175.76 176.41 1mx1 s ILE 4244N -0.82 0.18 -0.31 0.00 1.01 -0.10 -0.74 121.20 120.43 1mx1 s ILE 4244Ca 0.00 0.19 -0.06 0.00 0.00 0.00 0.00 60.65 60.78 1mx1 s ILE 4244Cb -0.07 -0.42 0.02 0.00 0.01 0.00 0.00 42.46 42.00 1mx1 s ILE 4244CO 0.01 0.18 0.07 -0.44 0.00 0.00 0.00 174.94 174.76 1mx1 s SER 4245N 2.05 5.12 -0.38 3.58 0.01 0.26 -2.45 113.70 121.89 1mx1 s SER 4245Ca 0.05 -0.91 -0.15 0.00 1.31 0.00 0.00 55.95 56.25 1mx1 s SER 4245Cb -0.13 -1.85 0.01 0.00 0.21 0.00 0.00 66.02 64.26 1mx1 s SER 4245CO -0.05 -0.24 0.30 -1.61 0.41 0.00 0.00 173.24 172.05 1mx1 s GLU 4246N 1.44 3.21 -1.14 12.44 2.02 -0.15 -1.33 118.70 135.19 1mx1 s GLU 4246Ca 0.00 -0.82 -0.20 0.00 0.02 0.00 0.00 54.97 53.98 1mx1 s GLU 4246Cb -0.18 -3.91 -0.01 0.00 0.10 0.00 0.00 34.13 30.13 1mx1 s GLU 4246CO 0.02 -0.64 0.80 0.43 0.02 0.00 0.00 175.26 175.89 1mx1 n SER 4247N 5.21 -5.34 0.00 -0.19 7.64 0.36 -0.80 113.62 120.50 1mx1 n SER 4247Ca -0.11 -1.00 0.00 0.00 1.01 0.00 0.00 58.87 58.78 1mx1 n SER 4247Cb 0.48 -3.51 0.00 0.00 -1.01 0.00 0.00 64.21 60.17 1mx1 n SER 4247CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1mx1 n GLY 4248N -1.65 3.26 3.30 0.23 0.00 -1.26 -2.75 105.19 106.32 1mx1 n GLY 4248Ca -0.09 -0.02 -0.15 0.00 0.00 0.00 0.00 46.02 45.76 1mx1 n GLY 4248CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1mx1 s VAL 4249N 0.00 0.00 -1.14 1.61 -7.23 -1.26 -2.96 120.40 109.42 1mx1 s VAL 4249Ca 0.00 -1.90 0.07 0.00 -1.81 0.00 0.00 61.98 58.34 1mx1 s VAL 4249Cb 0.00 -2.50 0.08 0.00 0.56 0.00 0.00 36.38 34.52 1mx1 s VAL 4249CO 0.00 0.00 1.18 0.00 -0.31 0.00 0.00 175.10 175.97 1mx1 n ALA 4250N -0.46 1.39 0.89 1.32 0.00 -1.26 -1.67 120.51 120.71 1mx1 n ALA 4250Ca 0.04 -0.03 0.11 0.00 0.00 0.00 0.00 53.44 53.56 1mx1 n ALA 4250Cb 0.64 -1.12 0.29 0.00 0.00 0.00 0.00 19.45 19.26 1mx1 n ALA 4250CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1mx1 n LEU 4251N -1.43 2.48 -4.38 0.00 4.77 -1.26 -4.59 117.00 112.59 1mx1 n LEU 4251Ca 0.02 -1.01 -0.43 0.00 -0.03 0.00 0.00 56.01 54.56 1mx1 n LEU 4251Cb 0.07 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 1mx1 n LEU 4251CO 0.06 0.50 1.99 0.41 -1.33 0.00 0.00 177.39 179.03 1mx1 n THR 4252N 0.87 3.94 0.28 -5.08 -1.04 -0.67 -4.84 114.28 107.74 1mx1 n THR 4252Ca 0.17 -4.06 0.02 0.00 -2.04 0.00 0.00 64.05 58.15 1mx1 n THR 4252Cb 0.47 -2.41 0.04 0.00 -1.82 0.00 0.00 70.33 66.60 1mx1 n THR 4252CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1mx1 n SER 4253N 7.27 0.00 0.03 8.00 3.41 -1.26 -1.04 113.62 130.02 1mx1 n SER 4253Ca 0.47 0.51 -0.05 0.00 -0.26 0.00 0.00 58.87 59.54 1mx1 n SER 4253Cb 0.44 -0.02 0.16 0.00 -0.26 0.00 0.00 64.21 64.52 1mx1 n SER 4253CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 1mx1 h VAL 4254N 0.00 1.30 0.00 -3.33 3.04 -1.82 -2.95 116.25 112.48 1mx1 h VAL 4254Ca 0.04 -1.49 0.00 0.00 -1.01 0.00 0.00 66.70 64.24 1mx1 h VAL 4254Cb 2.04 1.55 0.00 0.00 -2.01 0.00 0.00 31.29 32.87 1mx1 h VAL 4254CO -0.00 0.46 -0.32 0.18 -1.01 0.00 0.00 177.57 176.89 1mx1 n LEU 4255N -4.05 0.47 -4.33 3.16 4.77 -0.21 -4.79 117.00 112.03 1mx1 n LEU 4255Ca -0.01 0.29 -0.33 0.00 -0.03 0.00 0.00 56.01 55.93 1mx1 n LEU 4255Cb 0.48 -0.31 -0.15 0.00 -2.33 0.00 0.00 43.42 41.12 1mx1 n LEU 4255CO 0.43 -0.01 -0.45 -0.69 -1.33 0.00 0.00 177.39 175.35 1mx1 s VAL 4256N -3.06 2.98 -0.52 4.08 1.01 -1.12 -1.26 120.40 122.51 1mx1 s VAL 4256Ca 0.10 -0.67 -0.17 0.00 0.00 0.00 0.00 61.98 61.24 1mx1 s VAL 4256Cb 0.16 -2.27 0.09 0.00 0.00 0.00 0.00 36.38 34.35 1mx1 s VAL 4256CO 0.64 0.51 0.55 -0.54 0.00 0.00 0.00 175.10 176.26 1mx1 s LYS 4257N 0.69 3.03 -0.15 2.72 -0.14 0.94 -4.82 119.74 122.01 1mx1 s LYS 4257Ca -0.06 -1.30 -0.06 0.00 -1.36 0.00 0.00 55.97 53.19 1mx1 s LYS 4257Cb -0.15 -4.19 -0.04 0.00 -1.68 0.00 0.00 37.83 31.77 1mx1 s LYS 4257CO 0.02 -1.27 0.06 0.15 -0.76 0.00 0.00 175.35 173.55 1mx1 s LYS 4258N 2.15 3.71 0.00 1.68 1.02 -1.26 -4.34 119.74 122.70 1mx1 s LYS 4258Ca 0.09 -0.33 0.00 0.00 0.02 0.00 0.00 55.97 55.74 1mx1 s LYS 4258Cb -0.24 -3.12 0.00 0.00 -0.52 0.00 0.00 37.83 33.95 1mx1 s LYS 4258CO 0.07 0.42 0.00 0.41 -0.92 0.00 0.00 175.35 175.33 1mx1 n GLY 4259N 3.06 -0.22 3.65 -3.33 0.00 -1.26 -4.95 105.19 102.13 1mx1 n GLY 4259Ca -0.17 -2.12 -0.43 0.00 0.00 0.00 0.00 46.02 43.30 1mx1 n GLY 4259CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1mx1 s ASP 4260N -4.00 7.00 0.00 1.61 2.15 -1.26 -4.90 116.67 117.27 1mx1 s ASP 4260Ca 0.00 1.21 0.25 0.00 0.43 0.00 0.00 52.55 54.44 1mx1 s ASP 4260Cb 0.00 -2.52 0.37 0.00 -0.30 0.00 0.00 42.92 40.47 1mx1 s ASP 4260CO 0.00 -0.70 1.35 1.33 -0.17 0.00 0.00 175.17 176.98 1mx1 n VAL 4261N 5.45 0.00 -0.13 1.11 0.24 -1.26 -4.48 118.33 119.27 1mx1 n VAL 4261Ca 0.11 -0.38 -0.06 0.00 -2.04 0.00 0.00 64.34 61.97 1mx1 n VAL 4261Cb 0.47 1.17 0.02 0.00 -1.47 0.00 0.00 33.84 34.03 1mx1 n VAL 4261CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 1mx1 h LYS 4262N 3.55 0.39 -0.87 7.34 1.63 -1.86 -2.59 116.57 124.15 1mx1 h LYS 4262Ca 0.00 -0.02 0.12 0.00 -0.85 0.00 0.00 60.65 59.89 1mx1 h LYS 4262Cb 0.82 -0.09 -0.08 0.00 -0.60 0.00 0.00 32.23 32.28 1mx1 h LYS 4262CO 0.00 0.26 0.50 -1.35 -3.45 0.00 0.00 179.45 175.41 1mx1 h PRO 4263N 0.40 0.77 -0.30 1.90 0.11 -1.97 -0.34 132.00 132.57 1mx1 h PRO 4263Ca 0.18 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.22 1mx1 h PRO 4263Cb 0.09 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.02 1mx1 h PRO 4263CO -0.13 0.51 0.11 1.25 -0.21 0.00 0.00 178.00 179.53 1mx1 h LEU 4264N 0.79 0.42 -0.14 2.35 6.46 -1.81 -1.68 115.31 121.70 1mx1 h LEU 4264Ca 0.44 -0.18 0.03 0.00 -0.12 0.00 0.00 57.88 58.05 1mx1 h LEU 4264Cb 0.48 -0.11 -0.03 0.00 -0.73 0.00 0.00 40.66 40.27 1mx1 h LEU 4264CO -0.28 0.49 -0.04 0.00 -0.62 0.00 0.00 178.44 177.99 1mx1 h ALA 4265N 0.95 0.08 -0.79 1.25 0.00 -0.91 -1.11 119.26 118.74 1mx1 h ALA 4265Ca 0.10 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1mx1 h ALA 4265Cb 0.21 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 1mx1 h ALA 4265CO -0.01 -0.49 0.42 0.93 0.00 0.00 0.00 179.25 180.10 1mx1 h GLU 4266N -0.01 1.10 -0.57 0.00 5.08 -1.01 -0.99 114.58 118.17 1mx1 h GLU 4266Ca 0.07 -0.13 -0.08 0.00 -1.00 0.00 0.00 59.36 58.22 1mx1 h GLU 4266Cb 0.11 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 1mx1 h GLU 4266CO -0.15 0.82 0.04 0.37 -1.00 0.00 0.00 179.01 179.09 1mx1 h GLN 4267N 1.10 0.95 -0.40 2.33 4.15 -0.88 0.43 115.11 122.79 1mx1 h GLN 4267Ca 0.28 -0.26 -0.14 0.00 0.77 0.00 0.00 58.65 59.30 1mx1 h GLN 4267Cb 0.05 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 27.62 1mx1 h GLN 4267CO -0.04 0.92 -0.29 0.82 -1.93 0.00 0.00 178.83 178.31 1mx1 h ILE 4268N 0.89 1.27 -0.50 2.39 2.04 -0.71 -1.73 117.51 121.16 1mx1 h ILE 4268Ca 0.17 -1.44 -0.06 0.00 1.00 0.00 0.00 64.86 64.53 1mx1 h ILE 4268Cb 0.46 1.27 -0.02 0.00 -0.74 0.00 0.00 36.82 37.79 1mx1 h ILE 4268CO 0.02 0.48 0.07 0.00 0.00 0.00 0.00 178.15 178.72 1mx1 h ALA 4269N 0.93 0.66 -0.17 1.87 0.00 -0.79 -2.39 119.26 119.37 1mx1 h ALA 4269Ca 0.08 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.66 1mx1 h ALA 4269Cb 0.84 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1mx1 h ALA 4269CO 0.07 0.40 -0.29 0.82 0.00 0.00 0.00 179.25 180.26 1mx1 h ILE 4270N 0.70 1.26 -0.12 0.00 2.04 -0.83 0.33 117.51 120.90 1mx1 h ILE 4270Ca 0.15 -1.26 -0.11 0.00 1.00 0.00 0.00 64.86 64.64 1mx1 h ILE 4270Cb 0.41 1.46 -0.01 0.00 -0.74 0.00 0.00 36.82 37.94 1mx1 h ILE 4270CO 0.01 0.39 -0.40 0.74 0.00 0.00 0.00 178.15 178.89 1mx1 h THR 4271N 0.29 1.30 -0.01 -0.27 2.02 -1.09 -2.67 112.91 112.49 1mx1 h THR 4271Ca 0.04 -1.50 0.00 0.00 0.77 0.00 0.00 66.41 65.72 1mx1 h THR 4271Cb 0.66 1.66 0.00 0.00 -1.74 0.00 0.00 68.15 68.73 1mx1 h THR 4271CO 0.05 0.45 -0.09 0.00 0.37 0.00 0.00 175.52 176.30 1mx1 n ALA 4272N -2.48 2.76 -1.67 6.16 0.00 -0.92 -4.89 120.51 119.48 1mx1 n ALA 4272Ca -0.01 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.11 1mx1 n ALA 4272Cb 0.47 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.63 1mx1 n ALA 4272CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mx1 n GLY 4273N 1.23 0.91 3.65 0.00 0.00 -0.94 -5.08 105.19 104.95 1mx1 n GLY 4273Ca 0.16 -0.55 -0.26 0.00 0.00 0.00 0.00 46.02 45.37 1mx1 n GLY 4273CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mx1 s LYS 4275N -3.02 3.36 -0.13 0.00 -0.14 -1.26 -4.05 119.74 114.49 1mx1 s LYS 4275Ca 0.27 0.60 0.15 0.00 -1.36 0.00 0.00 55.97 55.63 1mx1 s LYS 4275Cb -0.09 -2.09 0.32 0.00 -1.68 0.00 0.00 37.83 34.29 1mx1 s LYS 4275CO 0.18 -0.68 1.16 0.25 -0.76 0.00 0.00 175.35 175.50 1mx1 n THR 4276N -2.78 1.60 -0.25 2.17 -2.24 -1.26 -4.29 114.28 107.23 1mx1 n THR 4276Ca 0.06 -2.24 0.05 0.00 -2.27 0.00 0.00 64.05 59.64 1mx1 n THR 4276Cb 0.55 -0.03 0.18 0.00 -2.10 0.00 0.00 70.33 68.93 1mx1 n THR 4276CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1mx1 h THR 4277N 1.87 0.64 -3.61 4.28 2.02 -1.95 -3.45 112.91 112.70 1mx1 h THR 4277Ca -0.02 -0.14 -0.06 0.00 0.77 0.00 0.00 66.41 66.96 1mx1 h THR 4277Cb 1.14 0.20 -0.10 0.00 -1.74 0.00 0.00 68.15 67.64 1mx1 h THR 4277CO 0.01 0.07 -0.12 0.42 0.37 0.00 0.00 175.52 176.27 1mx1 s THR 4278N -6.03 0.02 0.11 3.16 -4.23 -1.26 -5.02 115.64 102.39 1mx1 s THR 4278Ca -0.12 -1.25 -0.21 0.00 -1.18 0.00 0.00 61.69 58.93 1mx1 s THR 4278Cb 0.20 -1.97 -0.10 0.00 1.34 0.00 0.00 72.50 71.98 1mx1 s THR 4278CO 0.76 -0.10 1.75 0.28 -0.54 0.00 0.00 174.62 176.78 1mx1 h SER 4279N 2.30 0.08 -0.90 3.99 0.02 -1.96 -1.88 113.55 115.20 1mx1 h SER 4279Ca -0.28 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 60.70 1mx1 h SER 4279Cb 1.25 -0.01 -0.05 0.00 0.14 0.00 0.00 62.40 63.73 1mx1 h SER 4279CO 0.39 0.06 0.60 0.00 -1.14 0.00 0.00 176.83 176.74 1mx1 h ALA 4280N 1.05 1.39 -0.58 3.77 0.00 -1.97 -1.42 119.26 121.50 1mx1 h ALA 4280Ca 0.04 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1mx1 h ALA 4280Cb 0.00 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.42 1mx1 h ALA 4280CO -0.03 0.54 0.26 0.28 0.00 0.00 0.00 179.25 180.31 1mx1 h VAL 4281N 1.18 1.21 -0.12 0.00 2.07 -1.84 -1.22 116.25 117.53 1mx1 h VAL 4281Ca 0.35 -0.62 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 1mx1 h VAL 4281Cb -0.06 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.25 1mx1 h VAL 4281CO -0.09 0.25 0.04 0.24 0.02 0.00 0.00 177.57 178.03 1mx1 h MET 4282N 0.79 0.19 -0.42 1.57 0.00 -0.65 -1.82 114.93 114.59 1mx1 h MET 4282Ca 0.20 -0.04 -0.06 0.00 0.00 0.00 0.00 59.70 59.80 1mx1 h MET 4282Cb 0.14 -0.03 -0.02 0.00 0.00 0.00 0.00 31.60 31.70 1mx1 h MET 4282CO -0.02 0.31 -0.01 0.28 0.00 0.00 0.00 176.91 177.47 1mx1 h VAL 4283N 0.03 1.23 -0.47 -2.22 2.07 -1.19 -0.13 116.25 115.57 1mx1 h VAL 4283Ca 0.04 -0.92 -0.10 0.00 0.82 0.00 0.00 66.70 66.54 1mx1 h VAL 4283Cb 0.19 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 1mx1 h VAL 4283CO -0.00 0.32 -0.09 -0.74 0.02 0.00 0.00 177.57 177.08 1mx1 h HIS 4284N 0.63 0.99 -0.24 1.57 -0.00 -1.13 -0.67 115.15 116.31 1mx1 h HIS 4284Ca 0.13 -0.21 -0.08 0.00 -0.00 0.00 0.00 60.37 60.21 1mx1 h HIS 4284Cb 0.41 -0.24 -0.01 0.00 -0.00 0.00 0.00 27.41 27.57 1mx1 h HIS 4284CO 0.02 0.96 -0.16 0.00 -0.00 0.00 0.00 177.93 178.76 1mx1 h LEU 4286N 0.24 0.02 -1.37 0.00 3.38 -0.98 -1.76 115.31 114.85 1mx1 h LEU 4286Ca 0.05 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1mx1 h LEU 4286Cb 0.68 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1mx1 h LEU 4286CO 0.04 0.28 0.00 -0.09 0.09 0.00 0.00 178.44 178.76 1mx1 h ARG 4287N 0.02 0.00 0.00 1.13 2.43 -0.93 -2.97 114.38 114.06 1mx1 h ARG 4287Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1mx1 h ARG 4287Cb 0.47 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 1mx1 h ARG 4287CO 0.03 0.00 -1.23 1.04 -1.51 0.00 0.00 179.97 178.30 1mx1 n GLN 4288N -2.88 0.61 -1.62 0.20 6.02 -0.67 -4.87 117.38 114.17 1mx1 n GLN 4288Ca 0.01 0.05 -0.34 0.00 -0.01 0.00 0.00 57.00 56.70 1mx1 n GLN 4288Cb 0.27 -1.75 0.07 0.00 1.02 0.00 0.00 30.24 29.85 1mx1 n GLN 4288CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1mx1 s LYS 4289N -3.40 2.44 0.73 -1.09 -0.14 -1.13 -5.01 119.74 112.14 1mx1 s LYS 4289Ca -0.02 1.71 -0.10 0.00 -1.36 0.00 0.00 55.97 56.20 1mx1 s LYS 4289Cb 0.11 -1.87 0.05 0.00 -1.68 0.00 0.00 37.83 34.43 1mx1 s LYS 4289CO 0.82 -1.60 1.08 0.95 -0.76 0.00 0.00 175.35 175.85 1mx1 s THR 4290N -1.96 2.76 0.36 2.17 -4.23 -1.26 -4.89 115.64 108.59 1mx1 s THR 4290Ca 0.74 0.10 0.03 0.00 -1.18 0.00 0.00 61.69 61.39 1mx1 s THR 4290Cb -0.28 -3.22 0.27 0.00 1.34 0.00 0.00 72.50 70.61 1mx1 s THR 4290CO 0.42 -0.27 2.01 -0.08 -0.54 0.00 0.00 174.62 176.16 1mx1 h GLU 4291N -0.72 0.78 -0.45 3.99 4.81 -1.99 -1.88 114.58 119.12 1mx1 h GLU 4291Ca -0.45 -0.05 -0.12 0.00 -0.13 0.00 0.00 59.36 58.61 1mx1 h GLU 4291Cb 1.29 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 30.48 1mx1 h GLU 4291CO 0.63 0.52 -0.19 1.49 -0.73 0.00 0.00 179.01 180.73 1mx1 h GLU 4292N 0.80 0.90 -0.51 1.92 4.57 -1.99 -1.74 114.58 118.53 1mx1 h GLU 4292Ca 0.23 -0.36 -0.03 0.00 -1.18 0.00 0.00 59.36 58.02 1mx1 h GLU 4292Cb -0.05 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.48 1mx1 h GLU 4292CO -0.05 1.01 0.19 0.93 -1.18 0.00 0.00 179.01 179.90 1mx1 h GLU 4293N 0.78 0.77 0.00 1.92 5.08 -1.73 -0.94 114.58 120.47 1mx1 h GLU 4293Ca 0.11 -0.15 -0.08 0.00 -1.00 0.00 0.00 59.36 58.24 1mx1 h GLU 4293Cb 0.73 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 1mx1 h GLU 4293CO 0.06 0.69 -0.38 -0.07 -1.00 0.00 0.00 179.01 178.31 1mx1 h LEU 4294N 0.68 0.00 -0.36 1.33 3.38 -1.34 -1.42 115.31 117.59 1mx1 h LEU 4294Ca 0.17 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.95 1mx1 h LEU 4294Cb 0.22 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 1mx1 h LEU 4294CO -0.01 0.38 -0.69 0.25 0.09 0.00 0.00 178.44 178.45 1mx1 h LEU 4295N 0.00 0.68 -0.65 1.67 5.85 -0.95 -1.26 115.31 120.65 1mx1 h LEU 4295Ca -0.00 -0.42 -0.14 0.00 0.84 0.00 0.00 57.88 58.15 1mx1 h LEU 4295Cb 0.92 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.75 1mx1 h LEU 4295CO 0.05 1.17 -0.54 -0.33 -0.34 0.00 0.00 178.44 178.45 1mx1 h GLU 4296N 0.41 0.38 -0.55 1.25 5.08 -0.88 -1.27 114.58 119.00 1mx1 h GLU 4296Ca -0.03 -0.23 -0.06 0.00 -1.00 0.00 0.00 59.36 58.04 1mx1 h GLU 4296Cb 1.28 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.53 1mx1 h GLU 4296CO 0.13 0.82 0.10 1.15 -1.00 0.00 0.00 179.01 180.21 1mx1 h THR 4297N 0.29 1.25 -0.42 1.13 2.02 -1.15 -0.87 112.91 115.17 1mx1 h THR 4297Ca 0.01 -0.94 0.03 0.00 0.77 0.00 0.00 66.41 66.27 1mx1 h THR 4297Cb 1.04 0.81 -0.03 0.00 -1.74 0.00 0.00 68.15 68.22 1mx1 h THR 4297CO 0.09 0.34 0.22 0.74 0.37 0.00 0.00 175.52 177.28 1mx1 h THR 4298N 0.79 0.98 -0.65 3.16 2.02 -0.85 -1.63 112.91 116.74 1mx1 h THR 4298Ca 0.17 -0.15 -0.05 0.00 0.77 0.00 0.00 66.41 67.15 1mx1 h THR 4298Cb 0.39 0.51 -0.03 0.00 -1.74 0.00 0.00 68.15 67.29 1mx1 h THR 4298CO 0.01 0.08 0.20 -0.07 0.37 0.00 0.00 175.52 176.11 1mx1 h LEU 4299N 0.43 0.95 -0.87 2.58 3.38 -0.96 -2.96 115.31 117.87 1mx1 h LEU 4299Ca 0.18 -0.21 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 1mx1 h LEU 4299Cb 0.07 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 1mx1 h LEU 4299CO -0.12 0.91 0.06 0.11 0.09 0.00 0.00 178.44 179.49 1mx1 h LYS 4300N 0.94 0.90 0.00 1.13 1.57 -0.81 -2.30 116.57 118.00 1mx1 h LYS 4300Ca 0.21 -0.23 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 1mx1 h LYS 4300Cb 0.30 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.49 1mx1 h LYS 4300CO -0.01 0.86 -0.10 0.52 -0.57 0.00 0.00 179.45 180.16 1mx1 h MET 4301N 0.85 0.00 -5.65 3.15 2.86 -1.15 -3.47 114.93 111.51 1mx1 h MET 4301Ca 0.17 0.00 -0.32 0.00 -2.06 0.00 0.00 59.70 57.48 1mx1 h MET 4301Cb 0.42 0.00 0.17 0.00 0.06 0.00 0.00 31.60 32.25 1mx1 h MET 4301CO 0.01 0.10 -0.79 1.63 1.06 0.00 0.00 176.91 178.92 1mx1 n LYS 4302N -4.15 -5.93 -1.01 1.72 5.02 -0.87 -5.00 118.16 107.94 1mx1 n LYS 4302Ca -0.03 0.84 -0.30 0.00 -2.02 0.00 0.00 58.31 56.81 1mx1 n LYS 4302Cb 0.18 -5.82 0.16 0.00 -0.02 0.00 0.00 35.03 29.53 1mx1 n LYS 4302CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1mx1 s PHE 4303N -3.38 2.04 -1.72 2.13 0.40 -1.26 -3.64 117.98 112.55 1mx1 s PHE 4303Ca 0.06 1.32 0.00 0.00 -0.60 0.00 0.00 56.93 57.71 1mx1 s PHE 4303Cb -0.01 -3.18 0.00 0.00 0.51 0.00 0.00 43.02 40.34 1mx1 s PHE 4303CO 0.74 -2.73 0.00 1.28 0.70 0.00 0.00 175.22 175.21 1mx1 n LEU 4304N -4.13 -1.27 -3.91 -0.37 4.32 0.12 -4.98 117.00 106.78 1mx1 n LEU 4304Ca 0.07 0.36 -0.14 0.00 -0.02 0.00 0.00 56.01 56.28 1mx1 n LEU 4304Cb 0.55 -2.38 -0.14 0.00 -1.62 0.00 0.00 43.42 39.82 1mx1 n LEU 4304CO 0.55 -0.79 -0.38 -0.55 -1.22 0.00 0.00 177.39 174.99 1mx1 s SER 4305N -2.76 0.33 -0.10 -1.43 0.15 -1.24 -3.97 113.70 104.68 1mx1 s SER 4305Ca 0.00 -0.05 -0.30 0.00 0.70 0.00 0.00 55.95 56.30 1mx1 s SER 4305Cb 0.00 -0.04 -0.03 0.00 -1.71 0.00 0.00 66.02 64.24 1mx1 s SER 4305CO 0.00 0.03 1.27 -0.22 1.20 0.00 0.00 173.24 175.52 1mx1 s LEU 4306N -0.03 4.24 -0.47 3.45 2.96 -0.68 -4.83 118.68 123.32 1mx1 s LEU 4306Ca 0.01 1.81 -0.28 0.00 -0.22 0.00 0.00 54.13 55.44 1mx1 s LEU 4306Cb -0.01 -3.55 0.03 0.00 0.50 0.00 0.00 46.19 43.16 1mx1 s LEU 4306CO -0.00 -0.69 1.10 -0.62 -1.32 0.00 0.00 176.35 174.82 1mx1 s ASP 4307N 1.82 6.62 0.00 3.68 3.68 -1.26 -4.88 116.67 126.33 1mx1 s ASP 4307Ca 0.57 0.44 0.27 0.00 2.13 0.00 0.00 52.55 55.96 1mx1 s ASP 4307Cb -0.24 -2.53 0.88 0.00 -1.45 0.00 0.00 42.92 39.57 1mx1 s ASP 4307CO 0.20 -1.21 1.64 0.18 0.13 0.00 0.00 175.17 176.11 1mx1 n LEU 4308N 7.70 1.19 -4.20 -1.34 4.77 -1.26 -4.84 117.00 119.02 1mx1 n LEU 4308Ca 0.11 -0.35 -0.29 0.00 -0.03 0.00 0.00 56.01 55.45 1mx1 n LEU 4308Cb 0.49 -0.08 -0.16 0.00 -2.33 0.00 0.00 43.42 41.34 1mx1 n LEU 4308CO 0.70 0.21 -0.54 -1.58 -1.33 0.00 0.00 177.39 174.85 1mx1 s GLN 4309N -2.31 2.34 0.00 3.23 -0.44 -1.26 -5.06 119.66 116.16 1mx1 s GLN 4309Ca 0.30 -0.78 0.00 0.00 -2.50 0.00 0.00 55.36 52.38 1mx1 s GLN 4309Cb 0.20 -1.94 0.00 0.00 -1.64 0.00 0.00 33.01 29.62 1mx1 s GLN 4309CO 0.45 0.28 0.00 0.41 0.50 0.00 0.00 175.29 176.93 1mx1 n GLY 4310N 3.16 -0.43 3.50 2.59 0.00 -1.26 -4.92 105.19 107.82 1mx1 n GLY 4310Ca -0.18 -1.92 -0.36 0.00 0.00 0.00 0.00 46.02 43.55 1mx1 n GLY 4310CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1mx1 s ASP 4311N -4.00 5.38 0.45 1.61 -1.08 -1.26 -4.99 116.67 112.77 1mx1 s ASP 4311Ca 0.00 -0.13 0.21 0.00 -0.52 0.00 0.00 52.55 52.12 1mx1 s ASP 4311Cb 0.00 -1.97 1.19 0.00 -1.46 0.00 0.00 42.92 40.68 1mx1 s ASP 4311CO 0.00 -0.01 1.85 -0.65 0.52 0.00 0.00 175.17 176.88 1mx1 h PRO 4312N 8.05 0.29 0.00 4.34 0.11 -1.89 -1.48 132.00 141.42 1mx1 h PRO 4312Ca -0.37 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.72 1mx1 h PRO 4312Cb 1.18 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 1mx1 h PRO 4312CO 0.59 0.19 -0.00 0.00 -0.21 0.00 0.00 178.00 178.57 1mx1 h ARG 4313N 0.30 0.00 0.00 1.05 3.08 -1.94 -2.80 114.38 114.07 1mx1 h ARG 4313Ca 0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.53 1mx1 h ARG 4313Cb 1.38 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.43 1mx1 h ARG 4313CO -0.15 0.00 -0.72 0.39 -1.07 0.00 0.00 179.97 178.42 1mx1 n GLU 4314N -3.09 0.04 -2.03 0.04 1.02 -0.56 -4.92 120.64 111.14 1mx1 n GLU 4314Ca 0.00 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.73 1mx1 n GLU 4314Cb 0.29 -1.52 -0.03 0.00 -0.02 0.00 0.00 31.44 30.17 1mx1 n GLU 4314CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1mx1 s SER 4315N -3.15 6.68 -0.61 1.62 0.01 -1.05 -4.97 113.70 112.23 1mx1 s SER 4315Ca 0.09 2.53 0.04 0.00 1.31 0.00 0.00 55.95 59.92 1mx1 s SER 4315Cb 0.17 -2.60 0.15 0.00 0.21 0.00 0.00 66.02 63.95 1mx1 s SER 4315CO 0.76 -0.74 0.39 -1.58 0.41 0.00 0.00 173.24 172.49 1mx1 s GLN 4316N 0.80 2.11 0.44 12.44 2.00 -1.26 -4.79 119.66 131.39 1mx1 s GLN 4316Ca 0.66 -2.93 0.29 0.00 -2.00 0.00 0.00 55.36 51.37 1mx1 s GLN 4316Cb -0.41 -3.15 1.56 0.00 0.80 0.00 0.00 33.01 31.81 1mx1 s GLN 4316CO 0.33 -1.23 1.87 -1.00 -0.50 0.00 0.00 175.29 174.77 1mx1 h PRO 4317N 5.85 0.00 -1.58 1.67 0.13 -1.92 -3.45 132.00 132.70 1mx1 h PRO 4317Ca 0.08 0.00 0.24 0.00 -0.87 0.00 0.00 66.00 65.44 1mx1 h PRO 4317Cb 0.82 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 31.77 1mx1 h PRO 4317CO 0.66 0.00 0.77 -0.48 -0.23 0.00 0.00 178.00 178.73 1mx1 s LEU 4318N -5.04 -0.16 -0.19 1.56 0.05 -1.26 0.13 118.68 113.76 1mx1 s LEU 4318Ca -0.03 -0.01 -0.10 0.00 0.05 0.00 0.00 54.13 54.04 1mx1 s LEU 4318Cb 0.08 1.46 -0.05 0.00 -2.05 0.00 0.00 46.19 45.64 1mx1 s LEU 4318CO 0.26 -0.28 0.14 -0.76 -0.55 0.00 0.00 176.35 175.16 1mx1 s LEU 4319N -2.25 4.23 0.00 1.48 1.43 -1.26 -5.05 118.68 117.26 1mx1 s LEU 4319Ca 0.09 0.27 0.00 0.00 -1.03 0.00 0.00 54.13 53.46 1mx1 s LEU 4319Cb -0.01 -2.10 0.00 0.00 0.03 0.00 0.00 46.19 44.11 1mx1 s LEU 4319CO -0.05 0.20 0.00 0.61 0.23 0.00 0.00 176.35 177.34 1mx1 n GLY 4320N 3.37 5.34 3.76 -3.19 0.00 -1.26 -4.78 105.19 108.43 1mx1 n GLY 4320Ca -0.16 -1.18 -0.41 0.00 0.00 0.00 0.00 46.02 44.27 1mx1 n GLY 4320CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mx1 s THR 4321N 0.59 2.56 0.31 2.61 2.01 -0.38 -4.69 115.64 118.64 1mx1 s THR 4321Ca 0.00 0.52 0.03 0.00 0.31 0.00 0.00 61.69 62.55 1mx1 s THR 4321Cb 0.00 -3.33 -0.06 0.00 0.01 0.00 0.00 72.50 69.12 1mx1 s THR 4321CO 0.00 0.11 0.07 0.68 -0.69 0.00 0.00 174.62 174.79 1mx1 s VAL 4322N -0.68 1.03 -0.88 3.82 -7.23 -1.26 -0.04 120.40 115.16 1mx1 s VAL 4322Ca 0.54 -2.00 -0.16 0.00 -1.81 0.00 0.00 61.98 58.54 1mx1 s VAL 4322Cb -0.42 -2.75 0.17 0.00 0.56 0.00 0.00 36.38 33.95 1mx1 s VAL 4322CO 0.51 0.00 0.95 -0.63 -0.31 0.00 0.00 175.10 175.62 1mx1 s ILE 4323N -3.39 5.16 -0.32 -0.62 -1.09 -1.26 -4.72 121.20 114.95 1mx1 s ILE 4323Ca 0.36 -2.02 0.21 0.00 -2.23 0.00 0.00 60.65 56.97 1mx1 s ILE 4323Cb 0.08 -4.63 0.20 0.00 -1.58 0.00 0.00 42.46 36.53 1mx1 s ILE 4323CO 0.15 -1.27 1.45 -2.24 -1.23 0.00 0.00 174.94 171.79 1mx1 h ASP 4324N 8.32 0.00 0.00 3.58 -0.00 -1.83 -3.48 116.42 123.00 1mx1 h ASP 4324Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.16 1mx1 h ASP 4324Cb 1.03 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.36 1mx1 h ASP 4324CO 0.93 0.16 0.00 0.61 -0.00 0.00 0.00 179.24 180.94 1mx1 n GLY 4325N 1.16 0.74 0.91 7.15 0.00 -0.15 -4.87 105.19 110.13 1mx1 n GLY 4325Ca 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.03 1mx1 n GLY 4325CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1mx1 n MET 4326N -2.11 0.06 0.06 1.61 2.81 -1.26 -4.78 117.12 113.51 1mx1 n MET 4326Ca 0.00 0.02 -0.08 0.00 -1.81 0.00 0.00 57.70 55.83 1mx1 n MET 4326Cb 0.00 -0.51 -0.05 0.00 -0.71 0.00 0.00 33.22 31.94 1mx1 n MET 4326CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 1mx1 h LEU 4327N -0.11 -0.21 -8.52 4.03 5.85 -1.95 -3.43 115.31 110.98 1mx1 h LEU 4327Ca 0.00 -0.23 -0.66 0.00 0.84 0.00 0.00 57.88 57.84 1mx1 h LEU 4327Cb 0.11 0.05 -0.28 0.00 0.37 0.00 0.00 40.66 40.91 1mx1 h LEU 4327CO 0.00 0.34 -0.76 -0.76 -0.34 0.00 0.00 178.44 176.92 1mx1 s LEU 4328N -8.86 2.71 0.16 2.25 1.43 -1.26 -4.11 118.68 111.00 1mx1 s LEU 4328Ca -0.09 -0.37 0.23 0.00 -1.03 0.00 0.00 54.13 52.87 1mx1 s LEU 4328Cb 0.00 -1.63 0.18 0.00 0.03 0.00 0.00 46.19 44.77 1mx1 s LEU 4328CO 0.32 0.11 1.19 -0.07 0.23 0.00 0.00 176.35 178.13 1mx1 h LEU 4329N 7.15 0.00 -7.40 1.79 3.38 -1.86 -0.37 115.31 118.00 1mx1 h LEU 4329Ca -0.31 -0.13 0.07 0.00 0.09 0.00 0.00 57.88 57.60 1mx1 h LEU 4329Cb 1.19 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.84 1mx1 h LEU 4329CO 0.58 0.07 0.33 -1.59 0.09 0.00 0.00 178.44 177.91 1mx1 s LYS 4330N -3.25 1.31 0.55 1.13 -2.85 -1.26 -4.82 119.74 110.56 1mx1 s LYS 4330Ca 0.03 -0.62 -0.19 0.00 -1.00 0.00 0.00 55.97 54.20 1mx1 s LYS 4330Cb 0.12 0.52 -0.08 0.00 -2.06 0.00 0.00 37.83 36.32 1mx1 s LYS 4330CO 0.75 -0.59 0.65 0.25 0.10 0.00 0.00 175.35 176.52 1mx1 n THR 4331N -0.39 2.56 -0.31 3.79 -2.24 -1.26 -4.61 114.28 111.82 1mx1 n THR 4331Ca -0.10 -0.50 0.12 0.00 -2.27 0.00 0.00 64.05 61.30 1mx1 n THR 4331Cb 0.62 -0.80 0.35 0.00 -2.10 0.00 0.00 70.33 68.39 1mx1 n THR 4331CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1mx1 h PRO 4332N 0.42 0.73 0.04 -0.78 0.11 -1.99 -0.10 132.00 130.43 1mx1 h PRO 4332Ca -0.46 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 65.62 1mx1 h PRO 4332Cb 1.39 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 1mx1 h PRO 4332CO 0.49 0.48 -0.08 0.93 -0.21 0.00 0.00 178.00 179.61 1mx1 h GLU 4333N 0.75 -0.15 -0.34 1.05 3.07 -1.92 -1.49 114.58 115.55 1mx1 h GLU 4333Ca 0.49 0.01 -0.12 0.00 -0.50 0.00 0.00 59.36 59.24 1mx1 h GLU 4333Cb 0.75 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.68 1mx1 h GLU 4333CO -0.25 -0.10 -0.29 0.93 -1.40 0.00 0.00 179.01 177.90 1mx1 h GLU 4334N -0.16 0.71 -0.37 2.33 5.08 -1.67 -1.79 114.58 118.72 1mx1 h GLU 4334Ca 0.02 -0.31 -0.01 0.00 -1.00 0.00 0.00 59.36 58.06 1mx1 h GLU 4334Cb 0.17 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 1mx1 h GLU 4334CO -0.05 0.91 0.20 -0.07 -1.00 0.00 0.00 179.01 179.00 1mx1 h LEU 4335N 0.61 0.46 -0.32 1.33 3.38 -0.85 -2.38 115.31 117.55 1mx1 h LEU 4335Ca 0.07 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1mx1 h LEU 4335Cb 0.80 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1mx1 h LEU 4335CO 0.07 0.43 0.00 0.06 0.09 0.00 0.00 178.44 179.08 1mx1 h GLN 4336N 0.46 0.00 0.10 1.13 3.07 -1.25 -3.03 115.11 115.59 1mx1 h GLN 4336Ca 0.13 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.87 1mx1 h GLN 4336Cb 0.07 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.63 1mx1 h GLN 4336CO -0.02 0.00 -0.07 0.00 0.09 0.00 0.00 178.83 178.84 1mx1 h ALA 4337N 2.15 -0.15 -1.55 0.06 0.00 -0.82 -3.42 119.26 115.54 1mx1 h ALA 4337Ca 0.00 -0.03 -0.46 0.00 0.00 0.00 0.00 54.91 54.42 1mx1 h ALA 4337Cb 0.80 0.08 0.13 0.00 0.00 0.00 0.00 17.79 18.80 1mx1 h ALA 4337CO 0.00 -0.59 0.26 -1.83 0.00 0.00 0.00 179.25 177.09 1mx1 s GLU 4338N -6.17 1.05 -0.60 0.00 -1.05 -1.04 -5.00 118.70 105.89 1mx1 s GLU 4338Ca -0.14 -0.88 0.01 0.00 -0.15 0.00 0.00 54.97 53.81 1mx1 s GLU 4338Cb 0.06 -2.10 0.42 0.00 -0.44 0.00 0.00 34.13 32.07 1mx1 s GLU 4338CO 0.66 -2.00 1.72 0.54 0.95 0.00 0.00 175.26 177.12 1mx1 n ARG 4339N -3.32 3.01 -0.04 -4.83 5.12 -1.26 -4.68 116.66 110.67 1mx1 n ARG 4339Ca 0.16 -3.73 -0.15 0.00 -1.93 0.00 0.00 57.85 52.21 1mx1 n ARG 4339Cb 0.60 -2.28 -0.12 0.00 -1.16 0.00 0.00 32.46 29.50 1mx1 n ARG 4339CO 0.00 0.00 0.00 -0.97 -1.93 0.00 0.00 177.63 174.73 1mx1 h ASN 4340N 2.40 0.13 -3.16 0.55 -1.24 -1.93 -3.45 115.58 108.88 1mx1 h ASN 4340Ca 0.50 -0.83 -0.47 0.00 0.71 0.00 0.00 56.30 56.21 1mx1 h ASN 4340Cb 0.76 -0.04 0.22 0.00 0.73 0.00 0.00 38.32 39.99 1mx1 h ASN 4340CO 1.26 0.95 -0.36 2.22 -1.29 0.00 0.00 177.43 180.21 1mx1 n PHE 4341N -4.56 -0.99 -4.61 0.67 1.16 -1.26 -4.97 117.46 102.89 1mx1 n PHE 4341Ca -0.10 0.07 -0.30 0.00 -1.87 0.00 0.00 57.45 55.26 1mx1 n PHE 4341Cb 0.48 -1.72 -0.13 0.00 -1.61 0.00 0.00 39.48 36.50 1mx1 n PHE 4341CO 0.00 0.00 0.00 -1.58 -1.87 0.00 0.00 176.76 173.31 1mx1 s HIS 4342N -2.39 2.41 -0.19 2.97 2.46 -1.08 -5.03 115.29 114.44 1mx1 s HIS 4342Ca 0.63 -0.34 -0.29 0.00 0.47 0.00 0.00 55.06 55.53 1mx1 s HIS 4342Cb -0.21 -1.36 -0.02 0.00 -0.13 0.00 0.00 32.58 30.86 1mx1 s HIS 4342CO 0.65 0.26 1.37 0.95 -2.47 0.00 0.00 174.74 175.50 1mx1 s THR 4343N -0.96 4.07 0.00 0.89 -4.23 -1.26 -4.92 115.64 109.24 1mx1 s THR 4343Ca 0.14 1.27 -0.11 0.00 -1.18 0.00 0.00 61.69 61.81 1mx1 s THR 4343Cb -0.10 -3.92 0.01 0.00 1.34 0.00 0.00 72.50 69.83 1mx1 s THR 4343CO 0.05 -0.23 0.22 0.68 -0.54 0.00 0.00 174.62 174.81 1mx1 s VAL 4344N 4.01 0.07 0.21 2.29 -7.23 -1.26 -5.06 120.40 113.43 1mx1 s VAL 4344Ca 0.60 -0.62 -0.32 0.00 -1.81 0.00 0.00 61.98 59.83 1mx1 s VAL 4344Cb -0.23 -0.57 -0.14 0.00 0.56 0.00 0.00 36.38 36.00 1mx1 s VAL 4344CO 0.21 -0.34 1.34 -2.65 -0.31 0.00 0.00 175.10 173.34 1mx1 n PRO 4345N 1.27 1.73 -3.96 4.82 -0.02 -1.26 -4.65 135.00 132.92 1mx1 n PRO 4345Ca -0.22 0.62 -0.25 0.00 -2.02 0.00 0.00 63.50 61.63 1mx1 n PRO 4345Cb 0.56 -2.23 -0.17 0.00 -0.02 0.00 0.00 33.50 31.64 1mx1 n PRO 4345CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1mx1 s TYR 4346N -0.02 1.17 -0.16 6.00 6.04 -0.74 -1.56 117.35 128.08 1mx1 s TYR 4346Ca 0.71 -0.50 -0.05 0.00 0.04 0.00 0.00 57.07 57.27 1mx1 s TYR 4346Cb -0.73 -1.03 -0.03 0.00 -1.04 0.00 0.00 41.96 39.13 1mx1 s TYR 4346CO 0.50 -0.40 0.00 1.41 -1.54 0.00 0.00 175.55 175.51 1mx1 s MET 4347N 1.59 3.74 -0.08 4.97 -2.45 0.08 -1.36 119.30 125.80 1mx1 s MET 4347Ca 0.01 -0.45 0.01 0.00 -1.25 0.00 0.00 55.69 54.01 1mx1 s MET 4347Cb -0.13 -3.01 0.02 0.00 1.25 0.00 0.00 34.83 32.96 1mx1 s MET 4347CO -0.05 0.29 -0.07 0.08 1.05 0.00 0.00 175.02 176.31 1mx1 s VAL 4348N 0.28 0.85 0.24 10.11 1.01 0.40 -0.57 120.40 132.71 1mx1 s VAL 4348Ca -0.01 -0.24 0.01 0.00 0.00 0.00 0.00 61.98 61.74 1mx1 s VAL 4348Cb -0.13 -0.86 -0.04 0.00 0.00 0.00 0.00 36.38 35.35 1mx1 s VAL 4348CO 0.02 0.32 0.12 -0.83 0.00 0.00 0.00 175.10 174.73 1mx1 s GLY 4349N 1.27 1.65 0.18 4.51 0.00 -0.44 -2.63 107.32 111.87 1mx1 s GLY 4349Ca -0.04 -1.79 -0.08 0.00 0.00 0.00 0.00 44.72 42.81 1mx1 s GLY 4349CO -0.03 -1.51 0.29 -0.26 0.00 0.00 0.00 173.10 171.60 1mx1 s ILE 4350N -3.91 0.05 0.16 0.90 -4.36 -0.95 -0.49 121.20 112.60 1mx1 s ILE 4350Ca 0.38 -1.48 0.05 0.00 -0.26 0.00 0.00 60.65 59.34 1mx1 s ILE 4350Cb 0.07 -1.98 -0.04 0.00 1.25 0.00 0.00 42.46 41.76 1mx1 s ILE 4350CO 0.14 -0.23 0.12 0.20 0.24 0.00 0.00 174.94 175.41 1mx1 s ASN 4351N -3.00 5.43 0.20 4.36 0.02 -1.26 -0.25 114.94 120.44 1mx1 s ASN 4351Ca 0.21 -0.16 -0.12 0.00 -1.02 0.00 0.00 52.86 51.77 1mx1 s ASN 4351Cb 0.03 -1.39 0.25 0.00 0.02 0.00 0.00 41.25 40.16 1mx1 s ASN 4351CO 0.03 0.07 1.68 0.50 0.02 0.00 0.00 177.10 179.40 1mx1 h LYS 4352N 2.47 0.15 -2.32 -0.60 1.63 -0.67 -3.26 116.57 113.97 1mx1 h LYS 4352Ca -0.48 -0.01 -0.60 0.00 -0.85 0.00 0.00 60.65 58.72 1mx1 h LYS 4352Cb 1.20 -0.03 -0.41 0.00 -0.60 0.00 0.00 32.23 32.38 1mx1 h LYS 4352CO 0.63 0.10 -0.67 1.04 -3.45 0.00 0.00 179.45 177.09 1mx1 n GLN 4353N -5.22 2.10 -0.08 1.90 6.02 0.10 -4.93 117.38 117.27 1mx1 n GLN 4353Ca 0.08 -4.40 0.10 0.00 -0.01 0.00 0.00 57.00 52.77 1mx1 n GLN 4353Cb 0.31 -2.10 0.47 0.00 1.02 0.00 0.00 30.24 29.94 1mx1 n GLN 4353CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1mx1 h GLU 4354N 4.40 0.45 -1.85 -1.09 4.39 -1.66 -2.91 114.58 116.32 1mx1 h GLU 4354Ca 0.18 -0.03 -0.59 0.00 0.34 0.00 0.00 59.36 59.26 1mx1 h GLU 4354Cb 0.71 -0.10 -0.42 0.00 -0.10 0.00 0.00 28.75 28.84 1mx1 h GLU 4354CO 0.75 0.30 -0.70 0.34 -1.16 0.00 0.00 179.01 178.54 1mx1 n PHE 4355N -4.47 3.66 -0.09 4.33 -0.00 -1.26 -3.70 117.46 115.92 1mx1 n PHE 4355Ca 0.09 -3.50 -0.11 0.00 -0.00 0.00 0.00 57.45 53.93 1mx1 n PHE 4355Cb 0.31 -0.26 -0.12 0.00 -0.00 0.00 0.00 39.48 39.41 1mx1 n PHE 4355CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1mx1 n GLY 4356N -0.37 -0.65 2.03 7.13 0.00 -1.10 -4.76 105.19 107.46 1mx1 n GLY 4356Ca 0.35 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1mx1 n GLY 4356CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1mx1 n TRP 4357N -2.82 -1.69 -0.17 1.61 -0.00 -1.26 -4.95 117.44 108.16 1mx1 n TRP 4357Ca -0.32 0.27 -0.08 0.00 -0.00 0.00 0.00 57.50 57.37 1mx1 n TRP 4357Cb 1.01 0.93 -0.07 0.00 -0.00 0.00 0.00 31.31 33.18 1mx1 n TRP 4357CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 177.69 178.94 1mx1 h LEU 4358N 0.00 -1.33 0.00 5.87 5.85 -1.90 0.16 115.31 123.97 1mx1 h LEU 4358Ca 0.00 0.19 0.01 0.00 0.84 0.00 0.00 57.88 58.91 1mx1 h LEU 4358Cb 0.00 0.56 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 1mx1 h LEU 4358CO 0.00 -0.22 -0.04 0.40 -0.34 0.00 0.00 178.44 178.24 1mx1 h ILE 4359N -0.15 0.90 -0.50 4.05 2.04 -1.93 -0.45 117.51 121.47 1mx1 h ILE 4359Ca 0.07 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.97 1mx1 h ILE 4359Cb 0.34 0.90 -0.03 0.00 -0.74 0.00 0.00 36.82 37.29 1mx1 h ILE 4359CO -0.49 0.00 0.33 -0.65 0.00 0.00 0.00 178.15 177.34 1mx1 h PRO 4360N -0.07 0.53 -0.04 2.37 0.11 -1.86 -1.04 132.00 132.00 1mx1 h PRO 4360Ca 0.02 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.09 1mx1 h PRO 4360Cb 0.09 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 31.08 1mx1 h PRO 4360CO -0.04 0.35 -0.01 1.98 -0.21 0.00 0.00 178.00 180.06 1mx1 h MET 4361N 0.54 0.08 0.00 1.05 -1.53 -0.49 -1.65 114.93 112.94 1mx1 h MET 4361Ca 0.20 -0.03 -0.03 0.00 -3.44 0.00 0.00 59.70 56.40 1mx1 h MET 4361Cb 0.13 -0.00 -0.00 0.00 -0.55 0.00 0.00 31.60 31.18 1mx1 h MET 4361CO -0.05 0.45 -0.14 -0.07 0.14 0.00 0.00 176.91 177.23 1mx1 h LEU 4363N -0.30 0.00 -2.42 3.39 3.38 -0.64 -2.75 115.31 115.96 1mx1 h LEU 4363Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1mx1 h LEU 4363Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1mx1 h LEU 4363CO 0.00 0.14 0.00 0.23 0.09 0.00 0.00 178.44 178.91 1mx1 n MET 4364N -3.47 2.55 -3.76 1.13 2.81 -0.43 -4.72 117.12 111.23 1mx1 n MET 4364Ca -0.01 -2.38 -0.23 0.00 -1.81 0.00 0.00 57.70 53.27 1mx1 n MET 4364Cb 0.31 -1.53 0.03 0.00 -0.71 0.00 0.00 33.22 31.31 1mx1 n MET 4364CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1mx1 n SER 4365N 1.50 -1.52 -4.75 7.83 7.64 -0.93 -1.68 113.62 121.70 1mx1 n SER 4365Ca 0.21 -0.84 -0.41 0.00 1.01 0.00 0.00 58.87 58.85 1mx1 n SER 4365Cb 0.60 -3.92 -0.03 0.00 -1.01 0.00 0.00 64.21 59.85 1mx1 n SER 4365CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1mx1 s TYR 4366N -3.66 3.35 -0.91 1.43 1.51 -0.66 -4.72 117.35 113.68 1mx1 s TYR 4366Ca 0.09 1.43 -0.24 0.00 -1.01 0.00 0.00 57.07 57.34 1mx1 s TYR 4366Cb -0.04 -3.49 -0.01 0.00 -0.11 0.00 0.00 41.96 38.31 1mx1 s TYR 4366CO 0.82 -1.35 1.73 -2.14 -1.11 0.00 0.00 175.55 173.50 1mx1 s PRO 4367N -0.78 2.97 0.00 -1.71 0.02 -1.26 -4.60 135.00 129.64 1mx1 s PRO 4367Ca 0.51 -0.52 0.00 0.00 0.02 0.00 0.00 61.00 61.02 1mx1 s PRO 4367Cb -0.35 -5.07 0.00 0.00 0.02 0.00 0.00 34.50 29.10 1mx1 s PRO 4367CO 0.41 -2.84 0.71 1.28 -0.33 0.00 0.00 177.00 176.23 1mx1 n LEU 4368N 11.81 0.00 0.00 -5.54 4.77 -1.26 -4.91 117.00 121.87 1mx1 n LEU 4368Ca 0.34 -0.59 0.00 0.00 -0.03 0.00 0.00 56.01 55.73 1mx1 n LEU 4368Cb 0.49 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 1mx1 n LEU 4368CO 0.64 0.23 0.36 -1.54 -1.33 0.00 0.00 177.39 175.74 1mx1 n SER 4369N 0.00 0.00 -0.00 -1.43 3.41 -1.26 -0.27 113.62 114.06 1mx1 n SER 4369Ca 0.00 0.18 0.11 0.00 -0.26 0.00 0.00 58.87 58.89 1mx1 n SER 4369Cb 0.60 -0.18 -0.12 0.00 -0.26 0.00 0.00 64.21 64.24 1mx1 n SER 4369CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1mx1 n GLU 4370N -1.09 0.30 -0.60 4.33 -0.58 -1.26 -4.97 120.64 116.77 1mx1 n GLU 4370Ca 0.00 -0.08 0.00 0.00 -0.42 0.00 0.00 57.16 56.66 1mx1 n GLU 4370Cb 0.12 -1.52 0.00 0.00 -0.57 0.00 0.00 31.44 29.47 1mx1 n GLU 4370CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1mx1 n GLY 4371N 1.39 0.33 3.36 0.62 0.00 0.62 -4.94 105.19 106.57 1mx1 n GLY 4371Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 1mx1 n GLY 4371CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1mx1 s GLN 4372N -0.66 1.37 -0.25 1.61 -2.07 -1.26 -4.58 119.66 113.82 1mx1 s GLN 4372Ca 0.00 -1.57 -0.19 0.00 -1.82 0.00 0.00 55.36 51.78 1mx1 s GLN 4372Cb 0.00 -1.28 0.07 0.00 -1.09 0.00 0.00 33.01 30.71 1mx1 s GLN 4372CO 0.00 0.23 0.64 -1.17 -1.32 0.00 0.00 175.29 173.67 1mx1 s LEU 4373N -3.17 -0.61 0.18 2.60 2.96 0.28 -4.92 118.68 116.00 1mx1 s LEU 4373Ca 0.22 1.34 0.06 0.00 -0.22 0.00 0.00 54.13 55.53 1mx1 s LEU 4373Cb -0.03 2.21 -0.04 0.00 0.50 0.00 0.00 46.19 48.83 1mx1 s LEU 4373CO 0.08 -0.23 0.09 1.51 -1.32 0.00 0.00 176.35 176.48 1mx1 s ASP 4374N 0.89 5.25 0.25 3.68 -4.77 -1.26 -4.37 116.67 116.34 1mx1 s ASP 4374Ca -0.04 -0.24 -0.11 0.00 -3.30 0.00 0.00 52.55 48.86 1mx1 s ASP 4374Cb -0.05 -1.28 0.36 0.00 -1.09 0.00 0.00 42.92 40.85 1mx1 s ASP 4374CO -0.08 0.06 1.47 0.00 0.70 0.00 0.00 175.17 177.32 1mx1 n GLN 4375N -0.36 -0.14 -0.14 2.11 1.13 -1.26 -0.90 117.38 117.82 1mx1 n GLN 4375Ca -0.09 1.46 -0.05 0.00 -1.94 0.00 0.00 57.00 56.39 1mx1 n GLN 4375Cb 0.55 -2.18 0.04 0.00 0.11 0.00 0.00 30.24 28.76 1mx1 n GLN 4375CO 0.00 0.00 0.00 0.87 -1.44 0.00 0.00 177.06 176.49 1mx1 h LYS 4376N 0.00 0.36 -0.22 -1.09 1.57 -1.99 -0.44 116.57 114.76 1mx1 h LYS 4376Ca 0.40 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 59.15 1mx1 h LYS 4376Cb 0.64 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 1mx1 h LYS 4376CO -0.96 0.24 0.10 1.15 -0.57 0.00 0.00 179.45 179.41 1mx1 h THR 4377N 0.38 1.15 -0.17 -0.16 2.02 -1.42 -1.95 112.91 112.74 1mx1 h THR 4377Ca 0.20 -0.43 0.05 0.00 0.77 0.00 0.00 66.41 67.00 1mx1 h THR 4377Cb 0.16 1.03 -0.07 0.00 -1.74 0.00 0.00 68.15 67.53 1mx1 h THR 4377CO -0.18 0.14 -0.30 0.00 0.37 0.00 0.00 175.52 175.56 1mx1 h ALA 4378N 0.95 -0.29 -0.96 6.16 0.00 -0.68 0.27 119.26 124.71 1mx1 h ALA 4378Ca 0.07 0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.12 1mx1 h ALA 4378Cb 0.14 0.58 -0.08 0.00 0.00 0.00 0.00 17.79 18.43 1mx1 h ALA 4378CO -0.01 -0.76 0.60 0.52 0.00 0.00 0.00 179.25 179.61 1mx1 h MET 4379N -0.35 0.97 -0.13 0.00 2.07 -0.98 0.22 114.93 116.74 1mx1 h MET 4379Ca 0.11 -0.06 -0.01 0.00 -2.07 0.00 0.00 59.70 57.68 1mx1 h MET 4379Cb 0.52 -0.22 -0.01 0.00 -1.87 0.00 0.00 31.60 30.02 1mx1 h MET 4379CO -0.37 0.64 0.05 1.03 1.07 0.00 0.00 176.91 179.33 1mx1 h SER 4380N 1.00 0.17 -0.67 1.22 0.87 -0.37 -1.86 113.55 113.92 1mx1 h SER 4380Ca 0.46 -0.16 -0.06 0.00 -1.23 0.00 0.00 61.79 60.80 1mx1 h SER 4380Cb 0.37 -0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 62.26 1mx1 h SER 4380CO -0.24 0.28 0.18 -0.07 -0.53 0.00 0.00 176.83 176.45 1mx1 h LEU 4381N 0.05 1.00 -1.21 2.23 3.38 0.34 -2.42 115.31 118.67 1mx1 h LEU 4381Ca 0.04 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.76 1mx1 h LEU 4381Cb 0.16 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 1mx1 h LEU 4381CO -0.00 0.97 0.22 0.25 0.09 0.00 0.00 178.44 179.96 1mx1 h LEU 4382N 0.99 0.70 -0.39 1.67 5.85 -0.50 0.44 115.31 124.07 1mx1 h LEU 4382Ca 0.21 -0.08 -0.09 0.00 0.84 0.00 0.00 57.88 58.76 1mx1 h LEU 4382Cb 0.35 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 1mx1 h LEU 4382CO -0.00 0.62 -0.10 -0.25 -0.34 0.00 0.00 178.44 178.37 1mx1 h TRP 4383N 0.76 0.85 -0.18 1.25 -0.00 -1.07 -2.39 115.95 115.17 1mx1 h TRP 4383Ca 0.18 -0.19 -0.02 0.00 -0.00 0.00 0.00 58.89 58.87 1mx1 h TRP 4383Cb 0.14 -0.21 -0.01 0.00 -0.00 0.00 0.00 29.16 29.08 1mx1 h TRP 4383CO 0.01 0.89 0.01 0.87 -0.00 0.00 0.00 178.44 180.23 1mx1 h LYS 4384N 0.56 0.26 0.00 2.65 1.79 -0.88 -1.65 116.57 119.30 1mx1 h LYS 4384Ca 0.10 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.53 1mx1 h LYS 4384Cb 0.62 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.23 1mx1 h LYS 4384CO 0.04 0.28 0.00 0.43 -1.08 0.00 0.00 179.45 179.12 1mx1 n SER 4385N -4.40 0.00 -0.28 0.86 7.64 0.08 -4.32 113.62 113.20 1mx1 n SER 4385Ca -0.00 -1.35 0.03 0.00 1.01 0.00 0.00 58.87 58.56 1mx1 n SER 4385Cb 0.17 0.00 0.11 0.00 -1.01 0.00 0.00 64.21 63.48 1mx1 n SER 4385CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 1mx1 h TYR 4386N 0.00 -0.38 0.00 1.43 3.20 -1.24 0.30 116.97 120.28 1mx1 h TYR 4386Ca 0.00 0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.94 1mx1 h TYR 4386Cb 0.00 0.29 0.00 0.00 1.54 0.00 0.00 36.73 38.56 1mx1 h TYR 4386CO 0.00 -0.34 0.01 -1.00 -1.64 0.00 0.00 178.16 175.19 1mx1 h PRO 4387N 0.01 0.00 0.05 1.82 0.13 -1.75 0.40 132.00 132.66 1mx1 h PRO 4387Ca 0.40 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 65.16 1mx1 h PRO 4387Cb 0.63 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.71 1mx1 h PRO 4387CO -0.82 0.00 -2.20 1.28 -0.23 0.00 0.00 178.00 176.03 1mx1 n LEU 4388N -3.05 2.32 -0.00 1.56 4.77 0.97 -4.63 117.00 118.94 1mx1 n LEU 4388Ca -0.03 0.07 0.03 0.00 -0.03 0.00 0.00 56.01 56.05 1mx1 n LEU 4388Cb 0.08 -0.73 -0.05 0.00 -2.33 0.00 0.00 43.42 40.39 1mx1 n LEU 4388CO 0.19 0.80 -0.58 1.33 -1.33 0.00 0.00 177.39 177.81 1mx1 n VAL 4389N -3.27 0.01 -3.52 4.08 0.24 -0.65 -4.57 118.33 110.66 1mx1 n VAL 4389Ca -0.36 -0.15 -0.19 0.00 -2.04 0.00 0.00 64.34 61.60 1mx1 n VAL 4389Cb 1.04 0.31 0.07 0.00 -1.47 0.00 0.00 33.84 33.79 1mx1 n VAL 4389CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1mx1 s ILE 4391N -3.42 5.27 0.52 0.00 1.01 -1.26 -5.06 121.20 118.27 1mx1 s ILE 4391Ca 0.08 0.15 -0.22 0.00 0.00 0.00 0.00 60.65 60.66 1mx1 s ILE 4391Cb -0.04 -3.44 -0.06 0.00 0.01 0.00 0.00 42.46 38.94 1mx1 s ILE 4391CO 0.75 0.38 1.36 0.00 0.00 0.00 0.00 174.94 177.43 1mx1 s ALA 4392N 0.83 2.91 0.28 9.38 0.00 -1.26 -4.82 121.76 129.07 1mx1 s ALA 4392Ca 0.07 1.34 0.03 0.00 0.00 0.00 0.00 51.96 53.40 1mx1 s ALA 4392Cb -0.13 -3.56 0.65 0.00 0.00 0.00 0.00 23.12 20.07 1mx1 s ALA 4392CO 0.02 -1.31 1.77 -0.22 0.00 0.00 0.00 175.76 176.02 1mx1 h LYS 4393N 1.65 0.67 0.00 0.00 3.64 -1.98 0.06 116.57 120.60 1mx1 h LYS 4393Ca -0.51 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.83 1mx1 h LYS 4393Cb 1.29 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.96 1mx1 h LYS 4393CO 0.58 0.44 0.00 -0.85 -2.27 0.00 0.00 179.45 177.35 1mx1 n GLU 4394N -4.83 0.22 0.03 1.90 0.28 -1.26 -2.87 120.64 114.11 1mx1 n GLU 4394Ca 0.21 0.37 0.11 0.00 -0.16 0.00 0.00 57.16 57.69 1mx1 n GLU 4394Cb 0.51 -1.87 -0.07 0.00 1.43 0.00 0.00 31.44 31.45 1mx1 n GLU 4394CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1mx1 n LEU 4395N -2.27 0.47 -0.14 -1.84 4.77 -0.04 -4.44 117.00 113.51 1mx1 n LEU 4395Ca 0.03 0.02 -0.03 0.00 -0.03 0.00 0.00 56.01 55.99 1mx1 n LEU 4395Cb 0.29 -0.05 0.05 0.00 -2.33 0.00 0.00 43.42 41.38 1mx1 n LEU 4395CO 0.23 -0.00 0.90 0.40 -1.33 0.00 0.00 177.39 177.58 1mx1 h ILE 4396N 0.00 0.74 -0.27 -0.08 2.04 -1.30 -1.18 117.51 117.46 1mx1 h ILE 4396Ca 0.00 -0.07 0.05 0.00 1.00 0.00 0.00 64.86 65.84 1mx1 h ILE 4396Cb 0.86 0.51 -0.05 0.00 -0.74 0.00 0.00 36.82 37.41 1mx1 h ILE 4396CO 0.00 0.04 -0.02 -0.65 0.00 0.00 0.00 178.15 177.52 1mx1 h PRO 4397N 0.21 0.05 -0.78 2.37 0.11 -1.78 0.42 132.00 132.60 1mx1 h PRO 4397Ca 0.22 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.31 1mx1 h PRO 4397Cb 0.29 -0.01 -0.04 0.00 0.11 0.00 0.00 31.00 31.36 1mx1 h PRO 4397CO -0.30 0.03 0.39 1.49 -0.21 0.00 0.00 178.00 179.40 1mx1 h GLU 4398N 0.05 1.12 -0.11 1.05 4.81 -1.76 0.00 114.58 119.74 1mx1 h GLU 4398Ca 0.13 -0.16 -0.02 0.00 -0.13 0.00 0.00 59.36 59.18 1mx1 h GLU 4398Cb 0.18 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 29.35 1mx1 h GLU 4398CO -0.24 0.86 0.00 0.00 -0.73 0.00 0.00 179.01 178.91 1mx1 h ALA 4399N 1.20 0.15 -0.23 2.92 0.00 -0.62 -1.83 119.26 120.86 1mx1 h ALA 4399Ca 0.27 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1mx1 h ALA 4399Cb 0.10 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1mx1 h ALA 4399CO -0.04 -0.17 0.15 1.15 0.00 0.00 0.00 179.25 180.35 1mx1 h THR 4400N -0.06 1.06 -0.65 0.00 2.02 0.02 -2.63 112.91 112.66 1mx1 h THR 4400Ca 0.03 -0.11 0.05 0.00 0.77 0.00 0.00 66.41 67.16 1mx1 h THR 4400Cb 0.34 0.72 -0.05 0.00 -1.74 0.00 0.00 68.15 67.42 1mx1 h THR 4400CO 0.00 0.06 0.37 -0.08 0.37 0.00 0.00 175.52 176.24 1mx1 h GLU 4401N 0.31 0.67 -0.62 6.66 4.57 -0.97 0.17 114.58 125.37 1mx1 h GLU 4401Ca 0.09 -0.04 0.08 0.00 -1.18 0.00 0.00 59.36 58.30 1mx1 h GLU 4401Cb -0.03 -0.15 -0.06 0.00 -0.16 0.00 0.00 28.75 28.34 1mx1 h GLU 4401CO -0.02 0.45 0.29 -0.22 -1.18 0.00 0.00 179.01 178.32 1mx1 h LYS 4402N 0.69 0.50 0.16 1.92 1.63 -0.98 0.25 116.57 120.75 1mx1 h LYS 4402Ca 0.28 -0.03 -0.35 0.00 -0.85 0.00 0.00 60.65 59.70 1mx1 h LYS 4402Cb 0.14 -0.11 -0.00 0.00 -0.60 0.00 0.00 32.23 31.66 1mx1 h LYS 4402CO -0.16 0.33 -1.82 1.88 -3.45 0.00 0.00 179.45 176.24 1mx1 h TYR 4403N 0.52 0.62 -0.01 1.91 -1.99 -1.18 -3.40 116.97 113.43 1mx1 h TYR 4403Ca 0.30 -0.45 0.00 0.00 2.00 0.00 0.00 58.73 60.58 1mx1 h TYR 4403Cb 0.29 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 39.00 1mx1 h TYR 4403CO -0.12 1.68 -0.44 1.28 -0.00 0.00 0.00 178.16 180.56 1mx1 n LEU 4404N -3.54 1.83 0.00 3.88 4.77 0.57 -4.43 117.00 120.08 1mx1 n LEU 4404Ca -0.26 -0.75 0.07 0.00 -0.03 0.00 0.00 56.01 55.04 1mx1 n LEU 4404Cb 1.07 0.00 0.41 0.00 -2.33 0.00 0.00 43.42 42.56 1mx1 n LEU 4404CO 0.49 0.35 0.69 0.61 -1.33 0.00 0.00 177.39 178.19 1mx1 n GLY 4405N 1.31 -0.67 0.05 -0.72 0.00 0.89 -3.93 105.19 102.12 1mx1 n GLY 4405Ca 0.08 -0.08 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 1mx1 n GLY 4405CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1mx1 h GLY 4406N 2.45 -0.13 -1.01 -0.02 0.00 -1.78 -3.48 103.07 99.10 1mx1 h GLY 4406Ca 0.00 0.05 -0.39 0.00 0.00 0.00 0.00 47.33 46.99 1mx1 h GLY 4406CO 0.00 -0.05 -0.11 -1.30 0.00 0.00 0.00 176.54 175.08 1mx1 n THR 4407N -2.64 0.00 0.24 4.70 -2.24 -1.25 -5.05 114.28 108.03 1mx1 n THR 4407Ca -0.02 -1.53 0.04 0.00 -2.27 0.00 0.00 64.05 60.27 1mx1 n THR 4407Cb 0.05 -0.44 -0.05 0.00 -2.10 0.00 0.00 70.33 67.79 1mx1 n THR 4407CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1mx1 n ASP 4408N -2.25 1.34 -4.62 3.42 9.92 -1.26 -4.95 116.55 118.14 1mx1 n ASP 4408Ca 0.07 -0.45 -0.43 0.00 -0.53 0.00 0.00 54.79 53.46 1mx1 n ASP 4408Cb 0.46 1.12 -0.03 0.00 -0.64 0.00 0.00 41.12 42.03 1mx1 n ASP 4408CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1mx1 s ASP 4409N -2.13 5.83 0.52 -2.24 -1.08 -1.26 -4.84 116.67 111.47 1mx1 s ASP 4409Ca 0.01 2.17 0.35 0.00 -0.52 0.00 0.00 52.55 54.56 1mx1 s ASP 4409Cb 0.06 -2.52 1.74 0.00 -1.46 0.00 0.00 42.92 40.74 1mx1 s ASP 4409CO 0.32 -1.62 2.05 0.71 0.52 0.00 0.00 175.17 177.15 1mx1 h THR 4410N 6.57 0.00 0.19 1.71 1.35 -1.94 0.44 112.91 121.24 1mx1 h THR 4410Ca -0.44 -0.14 -0.31 0.00 -0.55 0.00 0.00 66.41 64.97 1mx1 h THR 4410Cb 1.24 0.99 0.02 0.00 -1.73 0.00 0.00 68.15 68.66 1mx1 h THR 4410CO 0.95 0.00 -1.46 0.58 -0.25 0.00 0.00 175.52 175.35 1mx1 h VAL 4411N 0.00 1.15 -0.35 6.82 2.07 -1.82 0.80 116.25 124.93 1mx1 h VAL 4411Ca 0.00 -2.55 -0.09 0.00 0.82 0.00 0.00 66.70 64.88 1mx1 h VAL 4411Cb 0.16 2.91 -0.02 0.00 -1.52 0.00 0.00 31.29 32.82 1mx1 h VAL 4411CO 0.00 0.79 -0.16 0.11 0.02 0.00 0.00 177.57 178.34 1mx1 h LYS 4412N -0.04 0.63 -0.53 1.57 1.57 -1.70 -1.43 116.57 116.64 1mx1 h LYS 4412Ca -0.28 -0.21 -0.04 0.00 -1.87 0.00 0.00 60.65 58.25 1mx1 h LYS 4412Cb 1.99 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 34.22 1mx1 h LYS 4412CO 0.18 0.76 0.16 0.87 -0.57 0.00 0.00 179.45 180.85 1mx1 h LYS 4413N 0.57 0.80 -0.17 3.15 1.57 -1.01 0.18 116.57 121.65 1mx1 h LYS 4413Ca 0.09 -0.15 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 1mx1 h LYS 4413Cb 0.59 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 1mx1 h LYS 4413CO 0.04 0.70 0.02 -0.22 -0.57 0.00 0.00 179.45 179.42 1mx1 h LYS 4414N 0.78 0.29 0.27 3.15 3.64 -1.15 0.39 116.57 123.93 1mx1 h LYS 4414Ca 0.18 -0.08 -0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1mx1 h LYS 4414Cb 0.24 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 1mx1 h LYS 4414CO -0.01 0.48 -0.23 -0.44 -2.27 0.00 0.00 179.45 176.99 1mx1 h ASP 4415N 0.06 -0.60 -0.39 4.20 3.32 -0.75 -1.23 116.42 121.04 1mx1 h ASP 4415Ca 0.05 0.05 0.08 0.00 0.02 0.00 0.00 57.03 57.23 1mx1 h ASP 4415Cb 0.34 0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.07 1mx1 h ASP 4415CO 0.01 -0.34 0.27 -0.07 -1.72 0.00 0.00 179.24 177.38 1mx1 h LEU 4416N -0.51 0.13 -0.89 1.55 3.38 -0.60 0.90 115.31 119.26 1mx1 h LEU 4416Ca -0.01 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 1mx1 h LEU 4416Cb 0.46 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1mx1 h LEU 4416CO -0.02 0.08 -0.28 0.15 0.09 0.00 0.00 178.44 178.46 1mx1 h PHE 4417N 0.15 0.56 -0.09 1.13 3.57 0.07 -0.82 116.94 121.52 1mx1 h PHE 4417Ca 0.18 -0.13 -0.13 0.00 3.53 0.00 0.00 57.97 61.42 1mx1 h PHE 4417Cb 0.52 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 1mx1 h PHE 4417CO -0.00 0.73 -0.54 -0.07 -2.23 0.00 0.00 178.31 176.19 1mx1 h LEU 4418N 0.43 0.28 -0.57 0.59 3.38 0.27 -2.69 115.31 117.00 1mx1 h LEU 4418Ca 0.06 -0.14 -0.13 0.00 0.09 0.00 0.00 57.88 57.75 1mx1 h LEU 4418Cb 0.71 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 1mx1 h LEU 4418CO 0.05 0.77 -0.30 0.44 0.09 0.00 0.00 178.44 179.49 1mx1 h ASP 4419N 0.19 0.85 0.19 -0.43 3.32 -0.92 -0.96 116.42 118.67 1mx1 h ASP 4419Ca 0.00 -0.35 0.00 0.00 0.02 0.00 0.00 57.03 56.71 1mx1 h ASP 4419Cb 1.02 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 40.30 1mx1 h ASP 4419CO 0.08 1.09 -0.39 0.25 -1.72 0.00 0.00 179.24 178.55 1mx1 h LEU 4420N 0.69 -1.15 -1.16 1.55 7.12 -0.86 0.30 115.31 121.80 1mx1 h LEU 4420Ca 0.08 0.11 0.06 0.00 0.13 0.00 0.00 57.88 58.26 1mx1 h LEU 4420Cb 0.85 0.41 -0.06 0.00 -0.53 0.00 0.00 40.66 41.33 1mx1 h LEU 4420CO 0.07 -0.45 0.58 0.40 -0.13 0.00 0.00 178.44 178.91 1mx1 h ILE 4421N -0.64 1.08 -0.39 4.05 2.04 -1.46 -1.91 117.51 120.30 1mx1 h ILE 4421Ca -0.02 -0.35 -0.03 0.00 1.00 0.00 0.00 64.86 65.46 1mx1 h ILE 4421Cb 0.60 -0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.63 1mx1 h ILE 4421CO -0.16 0.19 0.14 0.00 0.00 0.00 0.00 178.15 178.32 1mx1 h ALA 4422N 1.51 0.50 -0.41 1.87 0.00 -0.63 -1.41 119.26 120.68 1mx1 h ALA 4422Ca 0.38 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 55.05 1mx1 h ALA 4422Cb 0.16 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1mx1 h ALA 4422CO -0.13 0.13 -0.07 -0.44 0.00 0.00 0.00 179.25 178.73 1mx1 h ASP 4423N 0.48 0.69 0.83 0.00 3.32 0.09 -0.22 116.42 121.61 1mx1 h ASP 4423Ca 0.13 -0.18 -0.15 0.00 0.02 0.00 0.00 57.03 56.84 1mx1 h ASP 4423Cb 0.22 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 1mx1 h ASP 4423CO -0.01 0.81 -0.72 0.58 -1.72 0.00 0.00 179.24 178.18 1mx1 h VAL 4424N 0.66 1.45 0.10 -1.35 2.07 -1.22 0.14 116.25 118.10 1mx1 h VAL 4424Ca 0.12 -2.54 -0.34 0.00 0.82 0.00 0.00 66.70 64.77 1mx1 h VAL 4424Cb 0.51 2.39 -0.02 0.00 -1.52 0.00 0.00 31.29 32.65 1mx1 h VAL 4424CO 0.03 0.71 -1.84 0.23 0.02 0.00 0.00 177.57 176.72 1mx1 n MET 4425N -3.58 0.72 0.01 1.57 2.81 -0.54 -4.65 117.12 113.45 1mx1 n MET 4425Ca -0.00 0.33 -0.02 0.00 -1.81 0.00 0.00 57.70 56.19 1mx1 n MET 4425Cb 0.73 -1.72 -0.01 0.00 -0.71 0.00 0.00 33.22 31.51 1mx1 n MET 4425CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 1mx1 n PHE 4426N -3.70 0.00 0.02 2.03 3.01 -0.13 -4.55 117.46 114.14 1mx1 n PHE 4426Ca -0.32 0.00 -0.06 0.00 1.01 0.00 0.00 57.45 58.08 1mx1 n PHE 4426Cb 0.97 -0.09 -0.04 0.00 -0.01 0.00 0.00 39.48 40.32 1mx1 n PHE 4426CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 1mx1 h GLY 4427N -0.11 -1.32 0.99 1.37 0.00 -1.46 0.51 103.07 103.04 1mx1 h GLY 4427Ca -0.04 0.63 0.01 0.00 0.00 0.00 0.00 47.33 47.93 1mx1 h GLY 4427CO -0.02 -0.43 0.28 -2.08 0.00 0.00 0.00 176.54 174.28 1mx1 h VAL 4428N -0.23 1.10 -0.69 4.60 2.07 -0.99 -2.10 116.25 120.01 1mx1 h VAL 4428Ca 0.01 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 1mx1 h VAL 4428Cb 0.25 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 30.47 1mx1 h VAL 4428CO -0.13 0.10 0.38 -0.65 0.02 0.00 0.00 177.57 177.29 1mx1 h PRO 4429N 0.57 0.95 -0.49 1.57 0.11 -1.72 -0.62 132.00 132.36 1mx1 h PRO 4429Ca 0.16 -0.11 -0.01 0.00 0.11 0.00 0.00 66.00 66.15 1mx1 h PRO 4429Cb -0.05 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 30.85 1mx1 h PRO 4429CO -0.04 0.71 0.27 0.77 -0.21 0.00 0.00 178.00 179.51 1mx1 h SER 4430N 0.94 0.61 -0.43 -2.05 0.02 -0.69 -0.89 113.55 111.06 1mx1 h SER 4430Ca 0.24 -0.08 -0.10 0.00 -0.84 0.00 0.00 61.79 61.01 1mx1 h SER 4430Cb 0.03 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 1mx1 h SER 4430CO -0.04 0.52 -0.13 0.58 -1.14 0.00 0.00 176.83 176.62 1mx1 h VAL 4431N 0.65 1.27 -0.46 2.27 2.07 -1.21 -1.35 116.25 119.50 1mx1 h VAL 4431Ca 0.17 -1.24 -0.01 0.00 0.82 0.00 0.00 66.70 66.44 1mx1 h VAL 4431Cb 0.04 1.19 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 1mx1 h VAL 4431CO -0.03 0.42 0.25 0.40 0.02 0.00 0.00 177.57 178.63 1mx1 h ILE 4432N 0.66 1.16 -0.71 4.57 2.04 -0.92 -0.09 117.51 124.22 1mx1 h ILE 4432Ca 0.10 -0.42 -0.02 0.00 1.00 0.00 0.00 64.86 65.53 1mx1 h ILE 4432Cb 0.67 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 37.32 1mx1 h ILE 4432CO 0.05 0.17 0.38 0.58 0.00 0.00 0.00 178.15 179.33 1mx1 h VAL 4433N 0.60 1.21 -0.25 1.67 2.07 -1.06 -1.65 116.25 118.84 1mx1 h VAL 4433Ca 0.16 -0.54 -0.06 0.00 0.82 0.00 0.00 66.70 67.07 1mx1 h VAL 4433Cb 0.06 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.08 1mx1 h VAL 4433CO -0.03 0.24 -0.09 0.00 0.02 0.00 0.00 177.57 177.72 1mx1 h ALA 4434N 1.43 0.35 -0.66 1.67 0.00 -0.73 -2.20 119.26 119.12 1mx1 h ALA 4434Ca 0.25 -0.29 0.03 0.00 0.00 0.00 0.00 54.91 54.90 1mx1 h ALA 4434Cb 0.04 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 1mx1 h ALA 4434CO -0.04 0.18 0.41 0.00 0.00 0.00 0.00 179.25 179.80 1mx1 h ARG 4435N 0.24 0.78 -0.25 0.00 3.08 -0.69 -0.21 114.38 117.33 1mx1 h ARG 4435Ca 0.06 -0.05 -0.06 0.00 0.07 0.00 0.00 59.98 60.00 1mx1 h ARG 4435Cb 0.57 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 1mx1 h ARG 4435CO 0.03 0.52 -0.12 -0.91 -1.07 0.00 0.00 179.97 178.41 1mx1 h ASN 4436N 0.81 0.40 -0.31 7.04 4.21 -1.24 0.34 115.58 126.83 1mx1 h ASN 4436Ca 0.27 -0.10 -0.13 0.00 1.21 0.00 0.00 56.30 57.55 1mx1 h ASN 4436Cb 0.02 -0.11 -0.00 0.00 -1.12 0.00 0.00 38.32 37.11 1mx1 h ASN 4436CO -0.11 0.56 -0.30 -0.74 -1.29 0.00 0.00 177.43 175.55 1mx1 h HIS 4437N 0.39 0.90 0.05 1.19 2.76 -0.76 -2.06 115.15 117.62 1mx1 h HIS 4437Ca 0.08 -0.27 0.00 0.00 -2.20 0.00 0.00 60.37 57.98 1mx1 h HIS 4437Cb 0.46 -0.19 -0.00 0.00 1.55 0.00 0.00 27.41 29.22 1mx1 h HIS 4437CO 0.01 1.03 -0.05 -0.09 -1.30 0.00 0.00 177.93 177.54 1mx1 h ARG 4438N 0.51 -0.10 0.00 5.26 2.43 -0.61 -1.79 114.38 120.07 1mx1 h ARG 4438Ca 0.05 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1mx1 h ARG 4438Cb 0.87 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.45 1mx1 h ARG 4438CO 0.08 -0.07 0.00 -0.44 -1.51 0.00 0.00 179.97 178.03 1mx1 h ASP 4439N -0.10 0.00 -0.04 -3.80 3.32 -0.88 0.54 116.42 115.46 1mx1 h ASP 4439Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1mx1 h ASP 4439Cb 0.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.65 1mx1 h ASP 4439CO -0.01 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.51 1mx1 n ALA 4440N -1.85 2.60 -1.60 3.45 0.00 -0.69 -4.90 120.51 117.52 1mx1 n ALA 4440Ca -0.00 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.12 1mx1 n ALA 4440Cb 0.14 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.31 1mx1 n ALA 4440CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mx1 n GLY 4441N 1.03 0.39 3.62 0.00 0.00 0.18 -5.00 105.19 105.41 1mx1 n GLY 4441Ca 0.19 -0.96 -0.26 0.00 0.00 0.00 0.00 46.02 44.98 1mx1 n GLY 4441CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mx1 s ALA 4442N -2.00 3.08 0.19 4.61 0.00 -1.13 -5.06 121.76 121.45 1mx1 s ALA 4442Ca 0.00 -1.44 -0.32 0.00 0.00 0.00 0.00 51.96 50.20 1mx1 s ALA 4442Cb 0.00 -0.86 -0.11 0.00 0.00 0.00 0.00 23.12 22.15 1mx1 s ALA 4442CO 0.00 0.46 1.64 -2.14 0.00 0.00 0.00 175.76 175.71 1mx1 s PRO 4443N -2.96 4.17 -0.02 0.00 0.02 -1.26 -4.43 135.00 130.53 1mx1 s PRO 4443Ca 0.27 2.48 0.01 0.00 0.02 0.00 0.00 61.00 63.78 1mx1 s PRO 4443Cb -0.09 -3.11 0.01 0.00 0.02 0.00 0.00 34.50 31.32 1mx1 s PRO 4443CO 0.17 -0.67 -0.05 0.99 -0.33 0.00 0.00 177.00 177.12 1mx1 s THR 4444N 1.12 0.43 0.05 0.99 2.01 -1.26 -1.80 115.64 117.17 1mx1 s THR 4444Ca 0.72 -0.16 0.03 0.00 0.31 0.00 0.00 61.69 62.59 1mx1 s THR 4444Cb -0.46 -0.40 -0.02 0.00 0.01 0.00 0.00 72.50 71.62 1mx1 s THR 4444CO 0.32 0.15 -0.10 -0.31 -0.69 0.00 0.00 174.62 173.99 1mx1 s TYR 4445N 0.28 0.89 0.05 4.92 2.02 -0.47 0.13 117.35 125.18 1mx1 s TYR 4445Ca -0.03 -0.44 -0.00 0.00 -0.37 0.00 0.00 57.07 56.23 1mx1 s TYR 4445Cb -0.07 -0.52 -0.04 0.00 -0.40 0.00 0.00 41.96 40.93 1mx1 s TYR 4445CO -0.00 -0.02 -0.04 -1.64 -1.57 0.00 0.00 175.55 172.28 1mx1 s MET 4446N -1.47 0.60 0.15 -0.62 -1.94 -1.26 -0.46 119.30 114.31 1mx1 s MET 4446Ca -0.05 -1.14 -0.13 0.00 -1.71 0.00 0.00 55.69 52.66 1mx1 s MET 4446Cb -0.09 0.12 0.02 0.00 2.01 0.00 0.00 34.83 36.89 1mx1 s MET 4446CO 0.01 -0.08 0.37 1.52 -0.01 0.00 0.00 175.02 176.83 1mx1 s TYR 4447N -3.47 0.04 -0.14 -0.03 1.13 -1.08 -2.18 117.35 111.63 1mx1 s TYR 4447Ca 0.04 -0.40 -0.02 0.00 -1.41 0.00 0.00 57.07 55.28 1mx1 s TYR 4447Cb 0.05 0.16 0.04 0.00 -1.10 0.00 0.00 41.96 41.11 1mx1 s TYR 4447CO -0.08 -0.74 0.00 -2.00 -2.51 0.00 0.00 175.55 170.22 1mx1 s GLU 4448N -3.88 0.79 -0.18 -3.49 2.12 -0.52 -2.23 118.70 111.32 1mx1 s GLU 4448Ca 0.09 -0.21 -0.19 0.00 0.36 0.00 0.00 54.97 55.02 1mx1 s GLU 4448Cb 0.02 -1.61 -0.03 0.00 0.26 0.00 0.00 34.13 32.77 1mx1 s GLU 4448CO -0.06 -0.45 0.55 0.12 -0.54 0.00 0.00 175.26 174.88 1mx1 s PHE 4449N 1.87 3.41 -0.32 5.30 5.36 0.65 -0.95 117.98 133.30 1mx1 s PHE 4449Ca 0.02 0.86 -0.01 0.00 -0.96 0.00 0.00 56.93 56.84 1mx1 s PHE 4449Cb -0.15 -2.69 0.11 0.00 -0.34 0.00 0.00 43.02 39.95 1mx1 s PHE 4449CO -0.07 -0.06 0.12 -1.14 -1.46 0.00 0.00 175.22 172.62 1mx1 s GLN 4450N 1.47 0.65 -0.23 10.12 0.74 0.21 -0.49 119.66 132.13 1mx1 s GLN 4450Ca 0.26 -1.07 -0.28 0.00 0.05 0.00 0.00 55.36 54.32 1mx1 s GLN 4450Cb -0.16 -1.82 0.15 0.00 1.10 0.00 0.00 33.01 32.29 1mx1 s GLN 4450CO 0.10 -1.02 1.15 -0.47 -0.55 0.00 0.00 175.29 174.50 1mx1 s TYR 4451N 1.56 -0.27 -0.38 1.67 5.04 -1.26 -4.30 117.35 119.41 1mx1 s TYR 4451Ca 0.11 0.54 -0.05 0.00 -2.44 0.00 0.00 57.07 55.23 1mx1 s TYR 4451Cb -0.18 0.45 0.07 0.00 0.35 0.00 0.00 41.96 42.65 1mx1 s TYR 4451CO -0.23 -0.20 0.16 0.50 -1.34 0.00 0.00 175.55 174.43 1mx1 s ARG 4452N -0.65 2.40 0.57 4.97 3.52 -1.26 -2.10 118.95 126.40 1mx1 s ARG 4452Ca 0.03 -1.47 -0.20 0.00 -0.13 0.00 0.00 55.73 53.96 1mx1 s ARG 4452Cb -0.02 -3.54 -0.04 0.00 -1.56 0.00 0.00 34.95 29.79 1mx1 s ARG 4452CO -0.05 -0.86 1.23 -1.25 -0.81 0.00 0.00 175.30 173.56 1mx1 s PRO 4453N 1.30 3.11 0.32 5.12 0.04 -1.26 -4.91 135.00 138.73 1mx1 s PRO 4453Ca 0.02 1.89 0.26 0.00 0.04 0.00 0.00 61.00 63.20 1mx1 s PRO 4453Cb -0.22 -2.05 1.06 0.00 0.04 0.00 0.00 34.50 33.33 1mx1 s PRO 4453CO -0.00 -1.11 1.77 0.66 0.04 0.00 0.00 177.00 178.36 1mx1 h SER 4454N 1.15 0.00 -0.04 6.66 4.64 -1.98 -2.33 113.55 121.65 1mx1 h SER 4454Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 1mx1 h SER 4454Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1mx1 h SER 4454CO 0.56 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 177.01 1mx1 n PHE 4455N -2.42 0.05 -1.25 4.77 3.01 -1.26 -4.90 117.46 115.45 1mx1 n PHE 4455Ca 0.02 -0.02 -0.35 0.00 1.01 0.00 0.00 57.45 58.11 1mx1 n PHE 4455Cb 0.25 0.00 0.10 0.00 -0.01 0.00 0.00 39.48 39.82 1mx1 n PHE 4455CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1mx1 n SER 4456N -0.51 0.58 -4.77 4.37 7.64 -0.88 -4.93 113.62 115.13 1mx1 n SER 4456Ca 0.17 0.63 -0.40 0.00 1.01 0.00 0.00 58.87 60.28 1mx1 n SER 4456Cb 0.15 -1.44 -0.01 0.00 -1.01 0.00 0.00 64.21 61.91 1mx1 n SER 4456CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1mx1 s SER 4457N -1.82 6.40 0.54 6.43 0.15 -1.26 -4.90 113.70 119.25 1mx1 s SER 4457Ca 0.73 2.67 0.22 0.00 0.70 0.00 0.00 55.95 60.27 1mx1 s SER 4457Cb -0.32 -2.64 1.43 0.00 -1.71 0.00 0.00 66.02 62.78 1mx1 s SER 4457CO 0.51 -0.79 2.11 0.44 1.20 0.00 0.00 173.24 176.71 1mx1 h ASP 4458N 2.82 0.00 1.13 5.45 3.32 -1.97 -1.15 116.42 126.02 1mx1 h ASP 4458Ca -0.49 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.56 1mx1 h ASP 4458Cb 1.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.79 1mx1 h ASP 4458CO 0.63 0.00 0.00 0.24 -1.72 0.00 0.00 179.24 178.39 1mx1 h MET 4459N 0.00 0.00 -5.82 3.56 2.86 -2.03 -3.44 114.93 110.06 1mx1 h MET 4459Ca 0.09 0.00 -0.59 0.00 -2.06 0.00 0.00 59.70 57.13 1mx1 h MET 4459Cb 0.38 0.00 -0.08 0.00 0.06 0.00 0.00 31.60 31.95 1mx1 h MET 4459CO -0.00 0.00 0.49 0.21 1.06 0.00 0.00 176.91 178.67 1mx1 s LYS 4460N -3.23 4.20 0.81 1.72 2.20 -0.44 -5.04 119.74 119.97 1mx1 s LYS 4460Ca 0.07 0.98 -0.13 0.00 -0.36 0.00 0.00 55.97 56.54 1mx1 s LYS 4460Cb 0.11 -3.64 0.09 0.00 -1.51 0.00 0.00 37.83 32.87 1mx1 s LYS 4460CO 0.50 -0.51 1.18 -1.25 -0.36 0.00 0.00 175.35 174.92 1mx1 s PRO 4461N 2.80 1.65 0.39 4.03 0.04 -1.26 -4.89 135.00 137.75 1mx1 s PRO 4461Ca 0.36 1.66 0.28 0.00 0.04 0.00 0.00 61.00 63.34 1mx1 s PRO 4461Cb -0.15 -1.79 1.21 0.00 0.04 0.00 0.00 34.50 33.81 1mx1 s PRO 4461CO 0.08 -2.18 1.84 0.87 0.04 0.00 0.00 177.00 177.64 1mx1 h LYS 4462N -1.01 0.00 0.00 4.56 1.57 -1.96 -2.90 116.57 116.82 1mx1 h LYS 4462Ca -0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 1mx1 h LYS 4462Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.59 1mx1 h LYS 4462CO 0.46 0.00 0.00 0.25 -0.57 0.00 0.00 179.45 179.59 1mx1 n THR 4463N -2.58 0.19 -3.12 -0.16 -2.24 -1.26 -4.64 114.28 100.46 1mx1 n THR 4463Ca 0.01 0.05 -0.42 0.00 -2.27 0.00 0.00 64.05 61.41 1mx1 n THR 4463Cb 0.23 -0.61 -0.07 0.00 -2.10 0.00 0.00 70.33 67.78 1mx1 n THR 4463CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1mx1 s VAL 4464N -2.68 4.87 -0.10 2.28 1.01 -1.10 -5.03 120.40 119.66 1mx1 s VAL 4464Ca 0.22 0.32 0.03 0.00 0.00 0.00 0.00 61.98 62.55 1mx1 s VAL 4464Cb 0.17 -4.13 0.01 0.00 0.00 0.00 0.00 36.38 32.43 1mx1 s VAL 4464CO 0.41 -0.45 -0.20 -0.63 0.00 0.00 0.00 175.10 174.24 1mx1 s ILE 4465N 2.73 1.75 -0.43 2.22 1.01 -1.26 -4.70 121.20 122.52 1mx1 s ILE 4465Ca 0.23 -0.83 -0.03 0.00 0.00 0.00 0.00 60.65 60.03 1mx1 s ILE 4465Cb -0.14 -1.54 0.00 0.00 0.01 0.00 0.00 42.46 40.79 1mx1 s ILE 4465CO 0.17 0.49 0.37 0.61 0.00 0.00 0.00 174.94 176.58 1mx1 n GLY 4466N 3.75 0.44 3.73 6.18 0.00 -0.89 -3.55 105.19 114.85 1mx1 n GLY 4466Ca -0.20 -0.37 -0.29 0.00 0.00 0.00 0.00 46.02 45.16 1mx1 n GLY 4466CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1mx1 s ASP 4467N -3.15 3.22 0.14 1.61 2.15 -1.25 0.03 116.67 119.42 1mx1 s ASP 4467Ca 0.16 1.16 -0.33 0.00 0.43 0.00 0.00 52.55 53.97 1mx1 s ASP 4467Cb -0.07 -1.80 -0.12 0.00 -0.30 0.00 0.00 42.92 40.62 1mx1 s ASP 4467CO 0.23 -2.76 1.71 1.57 -0.17 0.00 0.00 175.17 175.75 1mx1 n HIS 4468N -3.92 2.49 0.00 -5.34 -0.00 -1.20 -1.88 115.22 105.37 1mx1 n HIS 4468Ca 0.06 0.08 0.00 0.00 -0.00 0.00 0.00 57.72 57.86 1mx1 n HIS 4468Cb 0.58 -2.63 0.00 0.00 -0.00 0.00 0.00 29.99 27.93 1mx1 n HIS 4468CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1mx1 n GLY 4469N 3.85 1.98 0.33 1.57 0.00 -1.26 -4.88 105.19 106.78 1mx1 n GLY 4469Ca 0.17 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.36 1mx1 n GLY 4469CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1mx1 h ASP 4470N 0.00 0.00 1.22 1.61 3.32 -1.72 -1.67 116.42 119.18 1mx1 h ASP 4470Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1mx1 h ASP 4470Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1mx1 h ASP 4470CO 0.00 0.00 0.00 1.05 -1.72 0.00 0.00 179.24 178.57 1mx1 h GLU 4471N 0.00 0.00 -0.97 3.56 9.09 -1.91 -3.25 114.58 121.10 1mx1 h GLU 4471Ca 0.11 0.00 0.06 0.00 0.05 0.00 0.00 59.36 59.58 1mx1 h GLU 4471Cb 0.52 0.00 -0.06 0.00 -1.65 0.00 0.00 28.75 27.56 1mx1 h GLU 4471CO -0.00 0.00 0.63 -0.07 0.05 0.00 0.00 179.01 179.62 1mx1 h LEU 4472N 0.00 1.01 -1.34 3.06 3.38 -1.71 -0.68 115.31 119.03 1mx1 h LEU 4472Ca 0.00 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 1mx1 h LEU 4472Cb 0.61 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1mx1 h LEU 4472CO 0.00 0.65 -0.18 -0.26 0.09 0.00 0.00 178.44 178.74 1mx1 h PHE 4473N 1.15 0.23 0.10 1.13 -1.00 -1.75 -1.15 116.94 115.65 1mx1 h PHE 4473Ca 0.41 -0.03 -0.21 0.00 2.81 0.00 0.00 57.97 60.95 1mx1 h PHE 4473Cb 0.15 -0.06 0.02 0.00 3.61 0.00 0.00 35.95 39.67 1mx1 h PHE 4473CO -0.00 0.40 -0.87 0.77 -1.61 0.00 0.00 178.31 177.00 1mx1 h SER 4474N 0.21 0.60 -0.57 2.17 0.02 -1.55 0.02 113.55 114.45 1mx1 h SER 4474Ca 0.04 -0.86 -0.02 0.00 -0.84 0.00 0.00 61.79 60.11 1mx1 h SER 4474Cb 0.45 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.77 1mx1 h SER 4474CO 0.03 1.40 0.29 0.58 -1.14 0.00 0.00 176.83 177.99 1mx1 h VAL 4475N -0.13 1.20 -0.47 2.27 2.07 -0.96 -2.92 116.25 117.31 1mx1 h VAL 4475Ca -0.14 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 66.85 1mx1 h VAL 4475Cb 1.62 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 31.91 1mx1 h VAL 4475CO 0.17 0.22 0.00 0.49 0.02 0.00 0.00 177.57 178.47 1mx1 n PHE 4476N -4.57 1.21 -3.74 1.57 3.01 -0.45 -4.72 117.46 109.77 1mx1 n PHE 4476Ca 0.03 -0.46 -0.25 0.00 1.01 0.00 0.00 57.45 57.78 1mx1 n PHE 4476Cb 0.11 -0.24 0.04 0.00 -0.01 0.00 0.00 39.48 39.38 1mx1 n PHE 4476CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1mx1 n GLY 4477N 0.82 -0.42 0.36 1.37 0.00 -1.10 -4.37 105.19 101.84 1mx1 n GLY 4477Ca 0.19 0.17 0.09 0.00 0.00 0.00 0.00 46.02 46.48 1mx1 n GLY 4477CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mx1 h ALA 4478N 0.94 1.81 -0.05 4.61 0.00 -1.21 -1.32 119.26 124.04 1mx1 h ALA 4478Ca -0.59 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.33 1mx1 h ALA 4478Cb 1.37 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 1mx1 h ALA 4478CO 0.60 0.03 0.14 -1.35 0.00 0.00 0.00 179.25 178.66 1mx1 h PRO 4479N 0.67 0.00 -0.01 0.00 0.11 -1.85 0.45 132.00 131.37 1mx1 h PRO 4479Ca 0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.46 1mx1 h PRO 4479Cb 0.47 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.58 1mx1 h PRO 4479CO -0.13 0.00 -0.65 1.19 -0.21 0.00 0.00 178.00 178.20 1mx1 n PHE 4480N -3.27 0.00 -0.05 0.65 3.01 -0.50 -4.39 117.46 112.91 1mx1 n PHE 4480Ca -0.02 0.00 -0.07 0.00 1.01 0.00 0.00 57.45 58.37 1mx1 n PHE 4480Cb 0.21 -0.07 -0.06 0.00 -0.01 0.00 0.00 39.48 39.56 1mx1 n PHE 4480CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1mx1 n LEU 4481N -0.99 2.36 -5.01 4.37 4.77 -0.24 -4.98 117.00 117.28 1mx1 n LEU 4481Ca 0.07 -0.05 -0.21 0.00 -0.03 0.00 0.00 56.01 55.79 1mx1 n LEU 4481Cb 0.37 -0.27 0.07 0.00 -2.33 0.00 0.00 43.42 41.27 1mx1 n LEU 4481CO 0.35 0.59 0.41 -0.54 -1.33 0.00 0.00 177.39 176.87 1mx1 s LYS 4482N -2.22 2.12 0.38 3.23 1.02 0.14 -4.23 119.74 120.17 1mx1 s LYS 4482Ca -0.13 -1.35 0.08 0.00 0.02 0.00 0.00 55.97 54.59 1mx1 s LYS 4482Cb 0.04 -2.52 -0.06 0.00 -0.52 0.00 0.00 37.83 34.77 1mx1 s LYS 4482CO 0.28 -1.03 0.10 -1.83 -0.92 0.00 0.00 175.35 171.95 1mx1 s GLU 4483N -4.83 2.15 -0.10 1.68 -1.05 -1.26 -4.74 118.70 110.55 1mx1 s GLU 4483Ca 0.63 -1.82 0.00 0.00 -0.15 0.00 0.00 54.97 53.62 1mx1 s GLU 4483Cb -0.06 -1.93 0.00 0.00 -0.44 0.00 0.00 34.13 31.70 1mx1 s GLU 4483CO 0.41 -0.00 0.00 0.41 0.95 0.00 0.00 175.26 177.02 1mx1 n GLY 4484N -1.09 0.46 3.70 -3.83 0.00 -1.26 -5.01 105.19 98.15 1mx1 n GLY 4484Ca -0.03 -1.02 -0.39 0.00 0.00 0.00 0.00 46.02 44.58 1mx1 n GLY 4484CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mx1 s ALA 4485N -2.03 3.48 0.67 4.61 0.00 -1.26 -4.98 121.76 122.24 1mx1 s ALA 4485Ca 0.00 -0.18 -0.16 0.00 0.00 0.00 0.00 51.96 51.62 1mx1 s ALA 4485Cb 0.00 -2.81 0.00 0.00 0.00 0.00 0.00 23.12 20.31 1mx1 s ALA 4485CO 0.00 -0.23 1.15 -1.54 0.00 0.00 0.00 175.76 175.14 1mx1 s SER 4486N 0.89 4.88 0.48 0.00 1.04 -1.26 -4.81 113.70 114.92 1mx1 s SER 4486Ca 0.28 2.15 0.22 0.00 0.48 0.00 0.00 55.95 59.09 1mx1 s SER 4486Cb -0.16 -2.57 1.25 0.00 0.10 0.00 0.00 66.02 64.65 1mx1 s SER 4486CO 0.12 -1.79 1.93 -0.08 0.98 0.00 0.00 173.24 174.40 1mx1 h GLU 4487N 0.09 0.19 -0.44 4.02 4.81 -1.99 -0.08 114.58 121.18 1mx1 h GLU 4487Ca -0.48 -0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 58.61 1mx1 h GLU 4487Cb 1.27 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.59 1mx1 h GLU 4487CO 0.53 0.12 -0.26 1.49 -0.73 0.00 0.00 179.01 180.17 1mx1 h GLU 4488N 0.19 0.92 -0.15 1.92 4.81 -2.00 -1.50 114.58 118.77 1mx1 h GLU 4488Ca 0.35 -0.41 -0.12 0.00 -0.13 0.00 0.00 59.36 59.05 1mx1 h GLU 4488Cb 1.09 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.44 1mx1 h GLU 4488CO -0.06 1.06 -0.43 1.49 -0.73 0.00 0.00 179.01 180.34 1mx1 h GLU 4489N 0.79 0.36 -0.57 1.92 4.81 -1.40 -1.90 114.58 118.59 1mx1 h GLU 4489Ca 0.10 -0.18 -0.10 0.00 -0.13 0.00 0.00 59.36 59.04 1mx1 h GLU 4489Cb 0.82 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.19 1mx1 h GLU 4489CO 0.07 0.73 -0.04 0.82 -0.73 0.00 0.00 179.01 179.86 1mx1 h ILE 4490N 0.30 1.27 -0.40 2.32 2.04 -1.11 -1.56 117.51 120.37 1mx1 h ILE 4490Ca 0.02 -1.19 -0.11 0.00 1.00 0.00 0.00 64.86 64.58 1mx1 h ILE 4490Cb 0.89 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 37.84 1mx1 h ILE 4490CO 0.07 0.43 -0.21 0.03 0.00 0.00 0.00 178.15 178.47 1mx1 h ARG 4491N 0.92 0.78 -0.50 2.37 3.08 -1.04 -2.01 114.38 117.98 1mx1 h ARG 4491Ca 0.16 -0.31 -0.01 0.00 0.07 0.00 0.00 59.98 59.89 1mx1 h ARG 4491Cb 0.60 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.59 1mx1 h ARG 4491CO 0.04 0.92 0.27 1.25 -1.07 0.00 0.00 179.97 181.38 1mx1 h LEU 4492N 0.68 0.63 -0.34 3.04 5.85 -1.09 -1.42 115.31 122.66 1mx1 h LEU 4492Ca 0.10 -0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.68 1mx1 h LEU 4492Cb 0.72 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 1mx1 h LEU 4492CO 0.06 0.54 0.08 -1.28 -0.34 0.00 0.00 178.44 177.50 1mx1 h SER 4493N 0.66 0.52 -0.68 1.25 0.87 -1.13 -1.69 113.55 113.35 1mx1 h SER 4493Ca 0.17 -0.24 0.04 0.00 -1.23 0.00 0.00 61.79 60.53 1mx1 h SER 4493Cb 0.06 -0.14 -0.05 0.00 -0.44 0.00 0.00 62.40 61.84 1mx1 h SER 4493CO -0.03 0.62 0.42 0.11 -0.53 0.00 0.00 176.83 177.42 1mx1 h LYS 4494N 0.39 0.78 0.02 2.24 1.57 -1.20 -1.22 116.57 119.16 1mx1 h LYS 4494Ca 0.11 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1mx1 h LYS 4494Cb 0.31 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.44 1mx1 h LYS 4494CO 0.00 0.52 -0.01 1.98 -0.57 0.00 0.00 179.45 181.37 1mx1 h MET 4495N 0.81 -0.02 -0.67 3.15 4.05 -1.09 -2.20 114.93 118.96 1mx1 h MET 4495Ca 0.28 0.00 0.01 0.00 -0.28 0.00 0.00 59.70 59.71 1mx1 h MET 4495Cb 0.06 0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 30.83 1mx1 h MET 4495CO -0.12 0.17 0.43 0.28 0.23 0.00 0.00 176.91 177.90 1mx1 h VAL 4496N -0.21 1.15 -0.84 -5.77 2.07 -1.11 -0.79 116.25 110.75 1mx1 h VAL 4496Ca -0.00 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 1mx1 h VAL 4496Cb 0.20 0.19 -0.04 0.00 -1.52 0.00 0.00 31.29 30.13 1mx1 h VAL 4496CO 0.00 0.16 0.49 0.24 0.02 0.00 0.00 177.57 178.49 1mx1 h MET 4497N 0.88 1.14 0.34 1.57 2.07 -1.20 0.35 114.93 120.07 1mx1 h MET 4497Ca 0.25 -0.11 -0.00 0.00 -2.07 0.00 0.00 59.70 57.76 1mx1 h MET 4497Cb -0.07 -0.24 -0.02 0.00 -1.87 0.00 0.00 31.60 29.41 1mx1 h MET 4497CO -0.07 0.81 -0.28 0.87 1.07 0.00 0.00 176.91 179.31 1mx1 h LYS 4498N 1.15 -0.61 -0.33 1.72 1.79 -0.78 0.16 116.57 119.67 1mx1 h LYS 4498Ca 0.30 0.04 0.07 0.00 -2.18 0.00 0.00 60.65 58.88 1mx1 h LYS 4498Cb -0.03 0.14 -0.07 0.00 -1.58 0.00 0.00 32.23 30.69 1mx1 h LYS 4498CO -0.05 -0.40 -0.14 0.74 -1.08 0.00 0.00 179.45 178.51 1mx1 h PHE 4499N -0.63 -0.35 -0.47 -1.35 0.05 -0.74 0.45 116.94 113.91 1mx1 h PHE 4499Ca -0.02 0.04 -0.01 0.00 3.82 0.00 0.00 57.97 61.79 1mx1 h PHE 4499Cb 0.56 0.20 -0.02 0.00 2.00 0.00 0.00 35.95 38.69 1mx1 h PHE 4499CO -0.15 -0.22 0.26 -1.49 -0.18 0.00 0.00 178.31 176.53 1mx1 h TRP 4500N -0.08 0.65 -0.33 -0.55 -0.00 -0.71 -1.45 115.95 113.47 1mx1 h TRP 4500Ca 0.17 -0.02 -0.15 0.00 -0.00 0.00 0.00 58.89 58.89 1mx1 h TRP 4500Cb 0.34 -0.21 -0.01 0.00 -0.00 0.00 0.00 29.16 29.29 1mx1 h TRP 4500CO -0.36 0.49 -0.40 0.00 -0.00 0.00 0.00 178.44 178.17 1mx1 h ALA 4501N 1.10 0.67 -0.00 1.49 0.00 -0.17 -1.36 119.26 121.00 1mx1 h ALA 4501Ca 0.17 -0.45 -0.07 0.00 0.00 0.00 0.00 54.91 54.55 1mx1 h ALA 4501Cb 0.05 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1mx1 h ALA 4501CO -0.03 0.67 -0.34 -0.91 0.00 0.00 0.00 179.25 178.64 1mx1 h ASN 4502N 0.65 0.00 -0.24 0.00 2.35 -0.00 -1.46 115.58 116.88 1mx1 h ASN 4502Ca 0.05 -0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.69 1mx1 h ASN 4502Cb 0.96 -0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.33 1mx1 h ASN 4502CO 0.09 0.34 -0.27 0.15 -1.65 0.00 0.00 177.43 176.09 1mx1 h PHE 4503N 0.00 0.73 -0.30 1.19 3.57 -0.92 -0.93 116.94 120.27 1mx1 h PHE 4503Ca -0.00 -0.23 -0.03 0.00 3.53 0.00 0.00 57.97 61.24 1mx1 h PHE 4503Cb 0.60 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.17 1mx1 h PHE 4503CO 0.00 0.94 0.07 0.00 -2.23 0.00 0.00 178.31 177.10 1mx1 h ALA 4504N 0.66 1.57 0.04 2.41 0.00 -0.81 0.57 119.26 123.71 1mx1 h ALA 4504Ca 0.03 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 1mx1 h ALA 4504Cb 0.84 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.50 1mx1 h ALA 4504CO 0.07 0.32 -0.31 0.00 0.00 0.00 0.00 179.25 179.33 1mx1 h ARG 4505N 0.43 0.13 -0.00 0.00 3.08 -1.13 -3.42 114.38 113.46 1mx1 h ARG 4505Ca 0.10 -0.20 0.00 0.00 0.07 0.00 0.00 59.98 59.96 1mx1 h ARG 4505Cb 0.17 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.29 1mx1 h ARG 4505CO -0.00 1.06 0.00 0.09 -1.07 0.00 0.00 179.97 180.04 1mx1 n ASN 4506N -4.44 1.20 -0.76 7.04 3.02 -0.37 -4.97 115.26 115.98 1mx1 n ASN 4506Ca -0.11 -1.12 -0.10 0.00 -0.03 0.00 0.00 54.58 53.22 1mx1 n ASN 4506Cb 0.59 -0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.72 1mx1 n ASN 4506CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1mx1 n GLY 4507N 0.08 1.09 3.11 7.41 0.00 0.20 -4.97 105.19 112.11 1mx1 n GLY 4507Ca 0.01 -0.59 -0.11 0.00 0.00 0.00 0.00 46.02 45.33 1mx1 n GLY 4507CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1mx1 s ASN 4508N -2.89 0.09 0.38 1.61 3.84 -1.25 -4.87 114.94 111.85 1mx1 s ASN 4508Ca 0.00 0.75 0.15 0.00 0.21 0.00 0.00 52.86 53.97 1mx1 s ASN 4508Cb 0.00 0.95 0.78 0.00 -0.55 0.00 0.00 41.25 42.42 1mx1 s ASN 4508CO 0.00 -0.23 1.83 1.55 -2.79 0.00 0.00 177.10 177.46 1mx1 h PRO 4509N 8.20 0.00 -6.82 0.43 0.13 -1.79 -3.24 132.00 128.91 1mx1 h PRO 4509Ca -0.16 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.41 1mx1 h PRO 4509Cb 1.11 0.00 0.13 0.00 0.13 0.00 0.00 31.00 32.37 1mx1 h PRO 4509CO 0.14 0.36 0.43 0.09 -0.23 0.00 0.00 178.00 178.79 1mx1 n ASN 4510N -3.95 2.28 -3.53 1.44 3.02 -1.26 -4.49 115.26 108.76 1mx1 n ASN 4510Ca -0.02 1.07 -0.06 0.00 -0.03 0.00 0.00 54.58 55.54 1mx1 n ASN 4510Cb 0.41 -1.48 -0.00 0.00 -0.61 0.00 0.00 39.78 38.10 1mx1 n ASN 4510CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1mx1 s GLY 4511N -0.64 0.03 0.10 7.41 0.00 -1.26 -4.97 107.32 107.99 1mx1 s GLY 4511Ca 0.63 -0.35 -0.31 0.00 0.00 0.00 0.00 44.72 44.69 1mx1 s GLY 4511CO 0.56 0.10 1.28 1.85 0.00 0.00 0.00 173.10 176.90 1mx1 s GLU 4512N -3.18 4.39 0.00 2.90 2.12 -1.26 -2.97 118.70 120.69 1mx1 s GLU 4512Ca 0.14 1.92 0.00 0.00 0.36 0.00 0.00 54.97 57.38 1mx1 s GLU 4512Cb -0.05 -3.29 0.00 0.00 0.26 0.00 0.00 34.13 31.06 1mx1 s GLU 4512CO 0.07 -0.31 0.00 0.41 -0.54 0.00 0.00 175.26 174.89 1mx1 n GLY 4513N 3.18 0.75 3.45 -1.50 0.00 -1.26 -5.06 105.19 104.75 1mx1 n GLY 4513Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 1mx1 n GLY 4513CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1mx1 s LEU 4514N 0.00 2.57 0.66 0.99 1.43 -1.16 -5.10 118.68 118.07 1mx1 s LEU 4514Ca 0.00 -0.44 -0.17 0.00 -1.03 0.00 0.00 54.13 52.49 1mx1 s LEU 4514Cb 0.00 -1.50 -0.03 0.00 0.03 0.00 0.00 46.19 44.69 1mx1 s LEU 4514CO 0.00 0.26 0.88 -2.65 0.23 0.00 0.00 176.35 175.07 1mx1 n PRO 4515N 1.57 0.65 -2.31 1.29 -0.02 -1.26 -4.78 135.00 130.14 1mx1 n PRO 4515Ca -0.16 0.27 -0.42 0.00 -2.02 0.00 0.00 63.50 61.17 1mx1 n PRO 4515Cb 0.52 -2.11 -0.03 0.00 -0.02 0.00 0.00 33.50 31.86 1mx1 n PRO 4515CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1mx1 s HIS 4516N -1.68 3.18 -0.42 6.00 2.46 -1.26 -4.87 115.29 118.70 1mx1 s HIS 4516Ca 0.74 1.06 -0.05 0.00 0.47 0.00 0.00 55.06 57.28 1mx1 s HIS 4516Cb -0.38 -3.55 0.11 0.00 -0.13 0.00 0.00 32.58 28.62 1mx1 s HIS 4516CO 0.49 -1.89 0.24 -0.46 -2.47 0.00 0.00 174.74 170.65 1mx1 s TRP 4517N 1.63 3.54 0.46 3.88 -0.11 -1.26 -4.42 118.94 122.66 1mx1 s TRP 4517Ca 0.61 -2.25 -0.24 0.00 1.22 0.00 0.00 56.10 55.45 1mx1 s TRP 4517Cb -0.31 -3.28 -0.07 0.00 -1.50 0.00 0.00 33.47 28.30 1mx1 s TRP 4517CO 0.28 -0.98 1.23 -1.25 -4.62 0.00 0.00 176.95 171.61 1mx1 s PRO 4518N 1.21 3.72 0.43 5.86 0.04 -1.26 -4.79 135.00 140.21 1mx1 s PRO 4518Ca 0.07 1.94 -0.24 0.00 0.04 0.00 0.00 61.00 62.81 1mx1 s PRO 4518Cb -0.24 -2.48 -0.08 0.00 0.04 0.00 0.00 34.50 31.74 1mx1 s PRO 4518CO -0.03 -0.63 1.19 -2.00 0.04 0.00 0.00 177.00 175.57 1mx1 s GLU 4519N -2.59 3.87 -1.22 4.56 2.12 -1.26 -4.54 118.70 119.64 1mx1 s GLU 4519Ca 0.63 1.85 -0.20 0.00 0.36 0.00 0.00 54.97 57.61 1mx1 s GLU 4519Cb -0.33 -2.54 0.03 0.00 0.26 0.00 0.00 34.13 31.55 1mx1 s GLU 4519CO 0.40 -0.48 1.74 -0.47 -0.54 0.00 0.00 175.26 175.91 1mx1 s TYR 4520N -1.46 2.54 0.00 5.30 5.04 0.34 -4.30 117.35 124.81 1mx1 s TYR 4520Ca 0.61 -1.02 0.00 0.00 -2.44 0.00 0.00 57.07 54.22 1mx1 s TYR 4520Cb -0.31 -4.58 0.00 0.00 0.35 0.00 0.00 41.96 37.42 1mx1 s TYR 4520CO 0.38 -1.72 0.00 0.27 -1.34 0.00 0.00 175.55 173.14 1mx1 n ASN 4521N 9.83 0.00 0.25 4.32 0.23 -1.26 -4.61 115.26 124.01 1mx1 n ASN 4521Ca 0.45 0.00 0.12 0.00 -0.53 0.00 0.00 54.58 54.62 1mx1 n ASN 4521Cb 0.47 0.00 0.60 0.00 -2.08 0.00 0.00 39.78 38.77 1mx1 n ASN 4521CO 0.00 0.00 0.00 1.56 -0.93 0.00 0.00 177.26 177.89 1mx1 h GLN 4522N 0.00 0.00 0.00 -3.83 1.08 -2.00 -1.63 115.11 108.73 1mx1 h GLN 4522Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1mx1 h GLN 4522Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 1mx1 h GLN 4522CO 0.00 0.16 -0.01 1.63 -0.95 0.00 0.00 178.83 179.65 1mx1 n LYS 4523N -3.42 0.10 -3.86 1.46 5.02 -1.26 -4.93 118.16 111.27 1mx1 n LYS 4523Ca -0.01 0.08 -0.26 0.00 -2.02 0.00 0.00 58.31 56.10 1mx1 n LYS 4523Cb 0.34 -1.61 0.02 0.00 -0.02 0.00 0.00 35.03 33.76 1mx1 n LYS 4523CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1mx1 n GLU 4524N -1.79 -4.86 -2.32 1.97 1.02 -0.62 -3.99 120.64 110.05 1mx1 n GLU 4524Ca 0.06 0.57 -0.33 0.00 -0.02 0.00 0.00 57.16 57.44 1mx1 n GLU 4524Cb 0.37 -5.22 -0.02 0.00 -0.02 0.00 0.00 31.44 26.55 1mx1 n GLU 4524CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1mx1 s GLY 4525N -3.86 2.18 0.17 0.62 0.00 -1.26 -1.00 107.32 104.17 1mx1 s GLY 4525Ca 0.33 0.34 -0.15 0.00 0.00 0.00 0.00 44.72 45.23 1mx1 s GLY 4525CO 0.84 0.64 0.44 -2.52 0.00 0.00 0.00 173.10 172.50 1mx1 s TYR 4526N -2.43 -0.04 -0.23 1.90 -0.85 -0.43 -4.04 117.35 111.23 1mx1 s TYR 4526Ca 0.62 -0.30 -0.10 0.00 -0.52 0.00 0.00 57.07 56.78 1mx1 s TYR 4526Cb -0.13 0.26 -0.05 0.00 0.38 0.00 0.00 41.96 42.43 1mx1 s TYR 4526CO 0.30 -0.81 0.13 -1.17 -1.52 0.00 0.00 175.55 172.48 1mx1 s LEU 4527N -2.87 4.00 -0.44 -3.49 2.96 -0.93 -0.88 118.68 117.04 1mx1 s LEU 4527Ca 0.09 0.08 -0.21 0.00 -0.22 0.00 0.00 54.13 53.87 1mx1 s LEU 4527Cb 0.01 -2.06 0.02 0.00 0.50 0.00 0.00 46.19 44.66 1mx1 s LEU 4527CO -0.05 0.08 0.66 -1.10 -1.32 0.00 0.00 176.35 174.61 1mx1 s GLN 4528N 0.97 3.30 -0.17 1.98 -0.21 -0.76 -1.43 119.66 123.33 1mx1 s GLN 4528Ca 0.07 -0.34 -0.11 0.00 0.02 0.00 0.00 55.36 54.99 1mx1 s GLN 4528Cb -0.13 -3.95 -0.05 0.00 1.00 0.00 0.00 33.01 29.88 1mx1 s GLN 4528CO 0.03 -1.01 0.20 0.42 -2.12 0.00 0.00 175.29 172.81 1mx1 s ILE 4529N 2.86 5.37 -0.86 1.08 1.01 -0.13 -2.56 121.20 127.97 1mx1 s ILE 4529Ca 0.23 0.35 0.00 0.00 0.00 0.00 0.00 60.65 61.24 1mx1 s ILE 4529Cb -0.14 -3.54 0.00 0.00 0.01 0.00 0.00 42.46 38.79 1mx1 s ILE 4529CO 0.19 0.44 0.00 0.61 0.00 0.00 0.00 174.94 176.18 1mx1 n GLY 4530N 3.30 -0.61 0.34 6.18 0.00 -1.26 -0.61 105.19 112.53 1mx1 n GLY 4530Ca -0.15 -0.59 0.07 0.00 0.00 0.00 0.00 46.02 45.35 1mx1 n GLY 4530CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mx1 h ALA 4531N 0.00 1.43 -3.24 4.61 0.00 -1.96 -3.32 119.26 116.79 1mx1 h ALA 4531Ca 0.00 0.04 -0.67 0.00 0.00 0.00 0.00 54.91 54.28 1mx1 h ALA 4531Cb 0.00 -0.16 -0.32 0.00 0.00 0.00 0.00 17.79 17.30 1mx1 h ALA 4531CO 0.00 0.14 -0.77 -0.80 0.00 0.00 0.00 179.25 177.82 1mx1 s ASN 4532N -5.62 4.09 -0.20 0.00 0.01 -1.26 -5.08 114.94 106.87 1mx1 s ASN 4532Ca -0.12 -0.81 -0.05 0.00 -0.71 0.00 0.00 52.86 51.17 1mx1 s ASN 4532Cb 0.22 -1.63 -0.02 0.00 0.41 0.00 0.00 41.25 40.23 1mx1 s ASN 4532CO 0.80 -0.09 0.00 -0.89 -1.51 0.00 0.00 177.10 175.41 1mx1 s THR 4533N 1.32 3.97 0.05 1.60 2.01 -1.25 -4.74 115.64 118.59 1mx1 s THR 4533Ca 0.01 -0.31 -0.27 0.00 0.31 0.00 0.00 61.69 61.43 1mx1 s THR 4533Cb -0.16 -2.80 0.07 0.00 0.01 0.00 0.00 72.50 69.63 1mx1 s THR 4533CO -0.06 0.42 0.67 0.00 -0.69 0.00 0.00 174.62 174.97 1mx1 s GLN 4534N 1.03 1.12 0.61 4.92 0.00 -1.06 -4.93 119.66 121.36 1mx1 s GLN 4534Ca 0.02 -0.12 -0.14 0.00 -0.00 0.00 0.00 55.36 55.11 1mx1 s GLN 4534Cb -0.14 0.52 -0.03 0.00 0.00 0.00 0.00 33.01 33.36 1mx1 s GLN 4534CO 0.02 -0.43 1.05 0.00 0.00 0.00 0.00 175.29 175.92 1mx1 s ALA 4535N -2.51 2.78 0.06 2.60 0.00 -1.26 -1.83 121.76 121.60 1mx1 s ALA 4535Ca -0.04 0.26 -0.00 0.00 0.00 0.00 0.00 51.96 52.17 1mx1 s ALA 4535Cb -0.01 -3.19 0.00 0.00 0.00 0.00 0.00 23.12 19.92 1mx1 s ALA 4535CO -0.02 -0.84 0.08 0.00 0.00 0.00 0.00 175.76 174.97 1mx1 n ALA 4536N -2.31 -0.05 -2.40 0.00 0.00 -0.06 -4.89 120.51 110.80 1mx1 n ALA 4536Ca 0.08 -0.27 -0.08 0.00 0.00 0.00 0.00 53.44 53.17 1mx1 n ALA 4536Cb 0.53 0.22 -0.09 0.00 0.00 0.00 0.00 19.45 20.11 1mx1 n ALA 4536CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1mx1 s GLN 4537N -2.14 0.64 -1.16 0.00 -0.21 -1.26 -1.31 119.66 114.22 1mx1 s GLN 4537Ca 0.05 -1.01 -0.02 0.00 0.02 0.00 0.00 55.36 54.40 1mx1 s GLN 4537Cb -0.00 0.24 -0.02 0.00 1.00 0.00 0.00 33.01 34.23 1mx1 s GLN 4537CO 0.03 -0.15 0.95 1.63 -2.12 0.00 0.00 175.29 175.63 1mx1 n LYS 4538N 0.32 -5.02 -1.69 2.91 5.02 -0.17 -4.91 118.16 114.63 1mx1 n LYS 4538Ca -0.16 0.83 -0.42 0.00 -2.02 0.00 0.00 58.31 56.54 1mx1 n LYS 4538Cb 0.60 -5.76 -0.03 0.00 -0.02 0.00 0.00 35.03 29.82 1mx1 n LYS 4538CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1mx1 s LEU 4539N -6.09 4.43 -1.62 -0.35 2.96 -1.26 -2.16 118.68 114.59 1mx1 s LEU 4539Ca 0.15 2.67 -0.01 0.00 -0.22 0.00 0.00 54.13 56.73 1mx1 s LEU 4539Cb -0.02 -3.53 0.00 0.00 0.50 0.00 0.00 46.19 43.14 1mx1 s LEU 4539CO 0.74 -1.05 0.09 0.29 -1.32 0.00 0.00 176.35 175.10 1mx1 n LYS 4540N 7.32 -2.23 0.05 1.98 4.76 -1.26 -4.90 118.16 123.88 1mx1 n LYS 4540Ca 0.20 0.92 -0.11 0.00 -2.87 0.00 0.00 58.31 56.44 1mx1 n LYS 4540Cb 0.41 -5.60 -0.05 0.00 -1.84 0.00 0.00 35.03 27.95 1mx1 n LYS 4540CO 0.00 0.00 0.00 0.22 -1.37 0.00 0.00 177.40 176.25 1mx1 h ASP 4541N -0.20 -0.25 -0.29 4.39 -0.00 -1.82 -1.74 116.42 116.51 1mx1 h ASP 4541Ca -0.46 0.04 -0.05 0.00 -0.00 0.00 0.00 57.03 56.55 1mx1 h ASP 4541Cb 1.34 0.11 -0.01 0.00 -0.00 0.00 0.00 39.33 40.77 1mx1 h ASP 4541CO 0.54 -0.13 -0.01 0.11 -0.00 0.00 0.00 179.24 179.75 1mx1 h LYS 4542N -0.16 0.53 -0.61 0.28 1.57 -1.90 -2.89 116.57 113.38 1mx1 h LYS 4542Ca 0.03 -0.17 0.07 0.00 -1.87 0.00 0.00 60.65 58.71 1mx1 h LYS 4542Cb 0.20 -0.05 -0.06 0.00 0.08 0.00 0.00 32.23 32.40 1mx1 h LYS 4542CO -0.09 0.68 0.29 0.93 -0.57 0.00 0.00 179.45 180.69 1mx1 h GLU 4543N 0.31 0.51 -0.44 3.15 3.07 -1.94 -0.57 114.58 118.68 1mx1 h GLU 4543Ca 0.08 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.92 1mx1 h GLU 4543Cb 0.45 -0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 28.22 1mx1 h GLU 4543CO 0.02 0.34 0.29 0.28 -1.40 0.00 0.00 179.01 178.53 1mx1 h VAL 4544N 0.53 1.11 -0.39 3.13 2.07 -1.25 -0.78 116.25 120.67 1mx1 h VAL 4544Ca 0.29 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.59 1mx1 h VAL 4544Cb 0.26 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 1mx1 h VAL 4544CO -0.23 0.11 0.19 0.00 0.02 0.00 0.00 177.57 177.66 1mx1 h ALA 4545N 1.16 0.50 0.40 1.67 0.00 -1.21 -1.26 119.26 120.52 1mx1 h ALA 4545Ca 0.16 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1mx1 h ALA 4545Cb -0.07 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 1mx1 h ALA 4545CO -0.04 0.06 -0.24 0.35 0.00 0.00 0.00 179.25 179.39 1mx1 h PHE 4546N 0.49 -0.62 -0.06 0.00 3.57 -0.78 -1.77 116.94 117.77 1mx1 h PHE 4546Ca 0.13 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.56 1mx1 h PHE 4546Cb 0.11 0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.06 1mx1 h PHE 4546CO -0.01 -0.37 -0.25 -1.49 -2.23 0.00 0.00 178.31 173.95 1mx1 h TRP 4547N -0.61 0.11 -0.15 0.41 4.06 -1.13 -0.37 115.95 118.27 1mx1 h TRP 4547Ca -0.05 -0.02 -0.05 0.00 2.06 0.00 0.00 58.89 60.83 1mx1 h TRP 4547Cb 0.49 -0.03 -0.00 0.00 -1.00 0.00 0.00 29.16 28.62 1mx1 h TRP 4547CO -0.08 0.35 -0.11 1.15 -3.56 0.00 0.00 178.44 176.18 1mx1 h THR 4548N 0.09 1.33 0.00 1.49 2.02 -1.10 -1.39 112.91 115.35 1mx1 h THR 4548Ca 0.01 -1.22 -0.07 0.00 0.77 0.00 0.00 66.41 65.90 1mx1 h THR 4548Cb 0.50 1.80 -0.01 0.00 -1.74 0.00 0.00 68.15 68.71 1mx1 h THR 4548CO 0.04 0.36 -0.34 0.78 0.37 0.00 0.00 175.52 176.73 1mx1 h ASN 4549N -0.01 0.00 0.10 4.18 2.35 -1.14 -2.58 115.58 118.48 1mx1 h ASN 4549Ca 0.03 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.77 1mx1 h ASN 4549Cb 0.62 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.99 1mx1 h ASN 4549CO 0.03 0.34 -0.05 0.25 -1.65 0.00 0.00 177.43 176.35 1mx1 h LEU 4550N 0.00 -0.11 -2.63 1.61 5.85 -0.94 -3.20 115.31 115.88 1mx1 h LEU 4550Ca -0.00 -0.47 -0.00 0.00 0.84 0.00 0.00 57.88 58.25 1mx1 h LEU 4550Cb 0.69 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.75 1mx1 h LEU 4550CO 0.04 0.51 -0.01 -0.26 -0.34 0.00 0.00 178.44 178.39 1mx1 h PHE 4551N -0.85 0.00 0.00 1.25 -1.00 -1.28 -2.01 116.94 113.06 1mx1 h PHE 4551Ca -0.01 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.77 1mx1 h PHE 4551Cb 0.57 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.13 1mx1 h PHE 4551CO 0.12 0.01 0.00 0.00 -1.61 0.00 0.00 178.31 176.82 1mx1 n ALA 4552N -2.11 2.09 0.33 2.45 0.00 -0.98 -5.11 120.51 117.19 1mx1 n ALA 4552Ca -0.02 -0.01 0.04 0.00 0.00 0.00 0.00 53.44 53.45 1mx1 n ALA 4552Cb 0.12 -1.03 0.03 0.00 0.00 0.00 0.00 19.45 18.58 1mx1 n ALA 4552CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13