#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mx9 n PRO 3023N 0.00 0.03 -2.43 -1.46 -0.02 -1.26 -4.92 135.00 124.94 1mx9 n PRO 3023Ca 0.00 0.01 -0.41 0.00 -2.02 0.00 0.00 63.50 61.09 1mx9 n PRO 3023Cb 0.00 -1.04 -0.04 0.00 -0.02 0.00 0.00 33.50 32.40 1mx9 n PRO 3023CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1mx9 s PRO 3024N -1.05 4.57 -0.24 0.52 0.02 -1.25 -4.95 135.00 132.61 1mx9 s PRO 3024Ca 0.59 1.83 -0.04 0.00 0.02 0.00 0.00 61.00 63.40 1mx9 s PRO 3024Cb -0.57 -3.22 0.10 0.00 0.02 0.00 0.00 34.50 30.83 1mx9 s PRO 3024CO 0.64 0.06 0.17 0.08 -0.33 0.00 0.00 177.00 177.62 1mx9 s VAL 3025N -0.61 -0.19 0.26 3.83 1.01 -1.26 -1.18 120.40 122.27 1mx9 s VAL 3025Ca 0.48 -0.44 0.04 0.00 0.00 0.00 0.00 61.98 62.06 1mx9 s VAL 3025Cb -0.32 -0.83 -0.03 0.00 0.00 0.00 0.00 36.38 35.20 1mx9 s VAL 3025CO 0.39 -0.47 0.39 -0.69 0.00 0.00 0.00 175.10 174.72 1mx9 s VAL 3026N 2.20 5.22 -0.50 2.92 1.01 -0.83 -4.93 120.40 125.49 1mx9 s VAL 3026Ca 0.07 -0.90 -0.01 0.00 0.00 0.00 0.00 61.98 61.14 1mx9 s VAL 3026Cb -0.16 -3.85 0.13 0.00 0.00 0.00 0.00 36.38 32.50 1mx9 s VAL 3026CO -0.25 -0.37 0.28 -0.62 0.00 0.00 0.00 175.10 174.14 1mx9 s ASP 3027N -3.99 5.04 0.75 3.32 -1.08 -1.26 -1.36 116.67 118.09 1mx9 s ASP 3027Ca 0.35 -2.50 -0.11 0.00 -0.52 0.00 0.00 52.55 49.77 1mx9 s ASP 3027Cb -0.09 -1.78 0.04 0.00 -1.46 0.00 0.00 42.92 39.63 1mx9 s ASP 3027CO 0.30 -0.41 1.09 0.42 0.52 0.00 0.00 175.17 177.09 1mx9 s THR 3028N 0.45 3.35 0.50 1.71 -4.23 0.28 -4.91 115.64 112.78 1mx9 s THR 3028Ca 0.13 0.44 0.20 0.00 -1.18 0.00 0.00 61.69 61.28 1mx9 s THR 3028Cb -0.22 -3.27 0.35 0.00 1.34 0.00 0.00 72.50 70.70 1mx9 s THR 3028CO -0.04 -0.57 2.02 0.58 -0.54 0.00 0.00 174.62 176.07 1mx9 h VAL 3029N -0.89 0.84 0.00 2.29 2.07 -1.95 -1.49 116.25 117.12 1mx9 h VAL 3029Ca -0.46 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.02 1mx9 h VAL 3029Cb 1.25 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 31.72 1mx9 h VAL 3029CO 0.60 0.02 -0.92 1.41 0.02 0.00 0.00 177.57 178.71 1mx9 n HIS 3030N -4.44 0.63 -2.77 1.57 8.25 -1.26 -5.03 115.22 112.16 1mx9 n HIS 3030Ca 0.07 0.18 0.00 0.00 -0.26 0.00 0.00 57.72 57.71 1mx9 n HIS 3030Cb 0.42 -0.72 0.00 0.00 1.12 0.00 0.00 29.99 30.82 1mx9 n HIS 3030CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1mx9 n GLY 3031N 1.28 -1.86 3.73 -1.41 0.00 -0.56 -2.07 105.19 104.30 1mx9 n GLY 3031Ca 0.01 -1.26 -0.39 0.00 0.00 0.00 0.00 46.02 44.38 1mx9 n GLY 3031CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mx9 s LYS 3032N -1.98 4.42 -0.11 1.61 1.02 -1.22 -0.56 119.74 122.91 1mx9 s LYS 3032Ca 0.00 0.84 -0.00 0.00 0.02 0.00 0.00 55.97 56.83 1mx9 s LYS 3032Cb 0.00 -3.43 -0.02 0.00 -0.52 0.00 0.00 37.83 33.86 1mx9 s LYS 3032CO 0.00 0.13 -0.10 0.08 -0.92 0.00 0.00 175.35 174.54 1mx9 s VAL 3033N 0.58 3.33 -0.33 3.17 1.01 -0.46 0.14 120.40 127.83 1mx9 s VAL 3033Ca 0.36 -0.58 -0.01 0.00 0.00 0.00 0.00 61.98 61.75 1mx9 s VAL 3033Cb -0.18 -2.39 0.07 0.00 0.00 0.00 0.00 36.38 33.88 1mx9 s VAL 3033CO 0.18 0.54 0.04 -0.22 0.00 0.00 0.00 175.10 175.64 1mx9 s LEU 3034N 0.01 4.26 0.00 3.92 1.98 0.29 -1.97 118.68 127.17 1mx9 s LEU 3034Ca -0.03 -1.54 0.00 0.00 -2.89 0.00 0.00 54.13 49.68 1mx9 s LEU 3034Cb -0.14 -1.72 0.00 0.00 0.66 0.00 0.00 46.19 44.99 1mx9 s LEU 3034CO 0.04 -0.33 0.00 0.61 -1.89 0.00 0.00 176.35 174.78 1mx9 n GLY 3035N 4.57 2.66 3.29 7.98 0.00 -0.32 -1.08 105.19 122.28 1mx9 n GLY 3035Ca -0.09 -1.99 -0.15 0.00 0.00 0.00 0.00 46.02 43.78 1mx9 n GLY 3035CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mx9 s LYS 3036N 3.01 1.28 -0.20 1.61 -2.85 -0.56 -3.89 119.74 118.15 1mx9 s LYS 3036Ca 0.00 -1.66 -0.03 0.00 -1.00 0.00 0.00 55.97 53.28 1mx9 s LYS 3036Cb 0.00 -0.32 -0.01 0.00 -2.06 0.00 0.00 37.83 35.44 1mx9 s LYS 3036CO 0.00 -0.20 -0.06 -0.06 0.10 0.00 0.00 175.35 175.13 1mx9 s PHE 3037N -3.67 2.94 0.22 1.78 2.99 -1.26 -0.94 117.98 120.04 1mx9 s PHE 3037Ca 0.31 -0.85 0.11 0.00 0.00 0.00 0.00 56.93 56.50 1mx9 s PHE 3037Cb 0.07 -2.05 -0.05 0.00 0.00 0.00 0.00 43.02 40.99 1mx9 s PHE 3037CO 0.09 -0.46 -0.21 0.08 -0.00 0.00 0.00 175.22 174.73 1mx9 s VAL 3038N 1.21 2.24 0.18 -0.44 1.01 -0.76 -4.97 120.40 118.87 1mx9 s VAL 3038Ca 0.02 -2.16 0.09 0.00 0.00 0.00 0.00 61.98 59.93 1mx9 s VAL 3038Cb -0.14 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.07 1mx9 s VAL 3038CO -0.02 -0.30 -0.18 -0.44 0.00 0.00 0.00 175.10 174.16 1mx9 s SER 3039N -3.03 2.76 0.03 3.32 0.01 -1.26 -0.31 113.70 115.22 1mx9 s SER 3039Ca 0.23 -0.91 0.05 0.00 1.31 0.00 0.00 55.95 56.63 1mx9 s SER 3039Cb -0.06 -0.17 -0.02 0.00 0.21 0.00 0.00 66.02 65.99 1mx9 s SER 3039CO 0.11 -0.05 -0.14 -0.22 0.41 0.00 0.00 173.24 173.35 1mx9 s LEU 3040N -2.86 2.15 0.19 2.44 2.96 -1.26 -5.00 118.68 117.30 1mx9 s LEU 3040Ca 0.18 -0.41 -0.32 0.00 -0.22 0.00 0.00 54.13 53.35 1mx9 s LEU 3040Cb -0.05 -0.60 -0.12 0.00 0.50 0.00 0.00 46.19 45.92 1mx9 s LEU 3040CO 0.07 0.05 1.71 -0.62 -1.32 0.00 0.00 176.35 176.25 1mx9 n GLU 3041N 2.06 2.67 0.00 1.98 -0.58 -1.26 -2.29 120.64 123.22 1mx9 n GLU 3041Ca -0.17 0.96 0.00 0.00 -0.42 0.00 0.00 57.16 57.53 1mx9 n GLU 3041Cb 0.55 -2.80 0.00 0.00 -0.57 0.00 0.00 31.44 28.62 1mx9 n GLU 3041CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1mx9 n GLY 3042N 3.90 2.55 3.21 0.62 0.00 -1.26 -5.06 105.19 109.15 1mx9 n GLY 3042Ca 0.16 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.94 1mx9 n GLY 3042CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1mx9 s PHE 3043N -2.59 1.63 -0.15 1.61 0.40 -0.97 -5.03 117.98 112.88 1mx9 s PHE 3043Ca 0.00 -0.36 0.09 0.00 -0.60 0.00 0.00 56.93 56.06 1mx9 s PHE 3043Cb 0.00 -0.98 -0.23 0.00 0.51 0.00 0.00 43.02 42.32 1mx9 s PHE 3043CO 0.00 0.06 0.25 0.00 0.70 0.00 0.00 175.22 176.23 1mx9 n ALA 3044N 1.98 1.38 -2.28 5.36 0.00 -1.26 -4.50 120.51 121.19 1mx9 n ALA 3044Ca -0.17 -0.99 -0.43 0.00 0.00 0.00 0.00 53.44 51.85 1mx9 n ALA 3044Cb 0.54 -0.46 -0.02 0.00 0.00 0.00 0.00 19.45 19.50 1mx9 n ALA 3044CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1mx9 s GLN 3045N -2.54 3.57 0.50 0.00 2.00 -1.26 -4.99 119.66 116.94 1mx9 s GLN 3045Ca -0.15 1.09 -0.22 0.00 -2.00 0.00 0.00 55.36 54.08 1mx9 s GLN 3045Cb 0.07 -4.05 -0.06 0.00 0.80 0.00 0.00 33.01 29.77 1mx9 s GLN 3045CO 0.78 -1.57 1.21 -2.14 -0.50 0.00 0.00 175.29 173.07 1mx9 s PRO 3046N 4.99 3.50 -0.02 1.67 0.02 -1.26 -4.87 135.00 139.04 1mx9 s PRO 3046Ca 0.65 1.87 -0.24 0.00 0.02 0.00 0.00 61.00 63.30 1mx9 s PRO 3046Cb -0.16 -2.29 -0.05 0.00 0.02 0.00 0.00 34.50 32.03 1mx9 s PRO 3046CO 0.32 -0.79 0.71 0.08 -0.33 0.00 0.00 177.00 176.99 1mx9 s VAL 3047N -1.51 4.92 -0.18 3.83 1.01 0.58 -4.84 120.40 124.21 1mx9 s VAL 3047Ca 0.68 1.48 -0.22 0.00 0.00 0.00 0.00 61.98 63.91 1mx9 s VAL 3047Cb -0.31 -4.05 -0.02 0.00 0.00 0.00 0.00 36.38 32.00 1mx9 s VAL 3047CO 0.37 0.31 0.70 0.00 0.00 0.00 0.00 175.10 176.48 1mx9 s ALA 3048N 0.36 3.52 -0.10 5.51 0.00 0.25 -1.84 121.76 129.46 1mx9 s ALA 3048Ca 0.37 -0.14 0.02 0.00 0.00 0.00 0.00 51.96 52.21 1mx9 s ALA 3048Cb -0.19 -3.06 -0.01 0.00 0.00 0.00 0.00 23.12 19.86 1mx9 s ALA 3048CO 0.20 -0.56 -0.17 0.42 0.00 0.00 0.00 175.76 175.64 1mx9 s ILE 3049N 1.93 2.69 -0.19 0.00 1.01 -0.12 -1.94 121.20 124.57 1mx9 s ILE 3049Ca 0.32 -0.81 0.01 0.00 0.00 0.00 0.00 60.65 60.18 1mx9 s ILE 3049Cb -0.16 -2.08 0.03 0.00 0.01 0.00 0.00 42.46 40.26 1mx9 s ILE 3049CO 0.11 0.55 -0.16 -0.36 0.00 0.00 0.00 174.94 175.08 1mx9 s PHE 3050N 0.15 2.73 -0.21 3.97 0.40 -0.57 -1.49 117.98 122.97 1mx9 s PHE 3050Ca -0.09 -1.71 -0.06 0.00 -0.60 0.00 0.00 56.93 54.47 1mx9 s PHE 3050Cb -0.16 -1.83 -0.03 0.00 0.51 0.00 0.00 43.02 41.52 1mx9 s PHE 3050CO 0.06 -0.79 0.02 -0.51 0.70 0.00 0.00 175.22 174.70 1mx9 s LEU 3051N 1.30 3.37 0.00 -0.37 1.43 0.12 -0.94 118.68 123.58 1mx9 s LEU 3051Ca 0.01 -0.17 0.00 0.00 -1.03 0.00 0.00 54.13 52.94 1mx9 s LEU 3051Cb -0.15 -1.87 0.00 0.00 0.03 0.00 0.00 46.19 44.21 1mx9 s LEU 3051CO -0.10 0.05 0.00 0.61 0.23 0.00 0.00 176.35 177.14 1mx9 n GLY 3052N 4.33 0.62 3.62 -3.19 0.00 -1.24 -3.67 105.19 105.66 1mx9 n GLY 3052Ca -0.17 -0.48 -0.40 0.00 0.00 0.00 0.00 46.02 44.97 1mx9 n GLY 3052CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1mx9 s ILE 3053N -2.79 5.01 0.29 -0.61 1.01 -0.82 -4.85 121.20 118.43 1mx9 s ILE 3053Ca 0.00 1.02 -0.29 0.00 0.00 0.00 0.00 60.65 61.38 1mx9 s ILE 3053Cb 0.00 -3.90 -0.09 0.00 0.01 0.00 0.00 42.46 38.47 1mx9 s ILE 3053CO 0.00 0.03 1.10 -2.16 0.00 0.00 0.00 174.94 173.91 1mx9 s PRO 3054N 2.45 4.60 -0.07 2.79 0.04 -1.26 -0.64 135.00 142.90 1mx9 s PRO 3054Ca 0.24 1.78 0.10 0.00 0.04 0.00 0.00 61.00 63.17 1mx9 s PRO 3054Cb -0.15 -3.13 0.16 0.00 0.04 0.00 0.00 34.50 31.41 1mx9 s PRO 3054CO 0.09 0.18 1.08 1.97 0.04 0.00 0.00 177.00 180.36 1mx9 n PHE 3055N 1.08 0.00 -3.59 0.56 1.16 -1.07 -4.93 117.46 110.66 1mx9 n PHE 3055Ca -0.01 -0.76 -0.06 0.00 -1.87 0.00 0.00 57.45 54.75 1mx9 n PHE 3055Cb 0.45 -0.10 -0.04 0.00 -1.61 0.00 0.00 39.48 38.18 1mx9 n PHE 3055CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1mx9 s ALA 3056N -2.01 -2.01 0.27 1.98 0.00 -1.26 -4.44 121.76 114.30 1mx9 s ALA 3056Ca 0.18 1.62 -0.30 0.00 0.00 0.00 0.00 51.96 53.45 1mx9 s ALA 3056Cb 0.15 -0.66 -0.11 0.00 0.00 0.00 0.00 23.12 22.51 1mx9 s ALA 3056CO 0.02 -0.40 1.50 0.21 0.00 0.00 0.00 175.76 177.08 1mx9 s LYS 3057N -1.63 4.21 -0.19 0.00 2.20 0.28 -4.54 119.74 120.07 1mx9 s LYS 3057Ca 0.05 2.42 -0.35 0.00 -0.36 0.00 0.00 55.97 57.73 1mx9 s LYS 3057Cb -0.01 -3.07 -0.12 0.00 -1.51 0.00 0.00 37.83 33.13 1mx9 s LYS 3057CO -0.04 -0.51 1.97 -2.30 -0.36 0.00 0.00 175.35 174.12 1mx9 n PRO 3058N 2.20 1.76 -1.06 4.03 -0.02 -1.26 -4.55 135.00 136.10 1mx9 n PRO 3058Ca 0.07 0.60 -0.39 0.00 -2.02 0.00 0.00 63.50 61.76 1mx9 n PRO 3058Cb 0.39 -2.58 -0.09 0.00 -0.02 0.00 0.00 33.50 31.20 1mx9 n PRO 3058CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1mx9 n PRO 3059N 7.06 0.83 -4.42 0.52 -0.04 -1.26 -4.87 135.00 132.82 1mx9 n PRO 3059Ca 0.28 -1.60 -0.31 0.00 -0.04 0.00 0.00 63.50 61.83 1mx9 n PRO 3059Cb 0.27 -2.96 -0.10 0.00 -0.04 0.00 0.00 33.50 30.66 1mx9 n PRO 3059CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1mx9 s LEU 3060N 3.49 3.10 0.00 1.53 1.43 -1.26 -4.27 118.68 122.70 1mx9 s LEU 3060Ca 0.65 -0.22 0.00 0.00 -1.03 0.00 0.00 54.13 53.53 1mx9 s LEU 3060Cb 0.11 -1.81 0.00 0.00 0.03 0.00 0.00 46.19 44.52 1mx9 s LEU 3060CO 0.21 0.25 0.00 0.61 0.23 0.00 0.00 176.35 177.66 1mx9 n GLY 3061N 1.34 0.96 0.24 -3.19 0.00 -1.26 -1.42 105.19 101.85 1mx9 n GLY 3061Ca -0.15 0.61 0.16 0.00 0.00 0.00 0.00 46.02 46.64 1mx9 n GLY 3061CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1mx9 h PRO 3062N 0.00 0.00 -0.01 1.61 0.13 -1.94 -2.38 132.00 129.40 1mx9 h PRO 3062Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1mx9 h PRO 3062Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1mx9 h PRO 3062CO 0.00 0.00 -0.22 1.28 -0.23 0.00 0.00 178.00 178.83 1mx9 n LEU 3063N -2.78 1.39 -4.76 1.56 4.77 -0.51 -4.85 117.00 111.82 1mx9 n LEU 3063Ca 0.00 -0.43 -0.41 0.00 -0.03 0.00 0.00 56.01 55.14 1mx9 n LEU 3063Cb 0.23 -0.07 -0.02 0.00 -2.33 0.00 0.00 43.42 41.22 1mx9 n LEU 3063CO 0.23 0.25 1.02 -0.60 -1.33 0.00 0.00 177.39 176.96 1mx9 s ARG 3064N -2.36 4.32 -1.16 3.23 3.52 -0.90 -2.31 118.95 123.29 1mx9 s ARG 3064Ca 0.27 2.23 -0.06 0.00 -0.13 0.00 0.00 55.73 58.03 1mx9 s ARG 3064Cb 0.19 -3.10 0.01 0.00 -1.56 0.00 0.00 34.95 30.50 1mx9 s ARG 3064CO 0.48 -0.28 1.00 1.19 -0.81 0.00 0.00 175.30 176.88 1mx9 n PHE 3065N 1.52 -2.41 -3.89 5.12 3.72 -1.26 -5.00 117.46 115.26 1mx9 n PHE 3065Ca 0.03 0.87 -0.10 0.00 -0.05 0.00 0.00 57.45 58.20 1mx9 n PHE 3065Cb 0.41 -4.54 -0.09 0.00 -0.94 0.00 0.00 39.48 34.32 1mx9 n PHE 3065CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1mx9 s THR 3066N -3.28 0.12 0.64 4.37 -4.23 -0.98 -4.92 115.64 107.36 1mx9 s THR 3066Ca 0.42 -0.96 -0.18 0.00 -1.18 0.00 0.00 61.69 59.79 1mx9 s THR 3066Cb -0.19 -0.83 -0.01 0.00 1.34 0.00 0.00 72.50 72.81 1mx9 s THR 3066CO 0.63 -0.53 1.28 -0.81 -0.54 0.00 0.00 174.62 174.66 1mx9 n PRO 3067N 0.84 1.13 -1.98 3.99 -0.04 -1.26 -4.91 135.00 132.77 1mx9 n PRO 3067Ca -0.20 0.44 -0.41 0.00 -0.04 0.00 0.00 63.50 63.30 1mx9 n PRO 3067Cb 0.58 -2.52 -0.02 0.00 -0.04 0.00 0.00 33.50 31.50 1mx9 n PRO 3067CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1mx9 s PRO 3068N -3.33 4.25 -0.06 0.54 0.04 -1.26 -5.03 135.00 130.15 1mx9 s PRO 3068Ca 0.82 2.36 0.00 0.00 0.04 0.00 0.00 61.00 64.22 1mx9 s PRO 3068Cb -0.38 -3.05 -0.03 0.00 0.04 0.00 0.00 34.50 31.08 1mx9 s PRO 3068CO 0.41 -0.37 -0.03 -0.65 0.04 0.00 0.00 177.00 176.40 1mx9 s GLN 3069N -1.49 2.83 0.27 4.56 -0.21 -1.26 -4.98 119.66 119.38 1mx9 s GLN 3069Ca 0.53 -0.52 -0.29 0.00 0.02 0.00 0.00 55.36 55.11 1mx9 s GLN 3069Cb -0.43 -2.68 -0.14 0.00 1.00 0.00 0.00 33.01 30.76 1mx9 s GLN 3069CO 0.53 0.67 1.04 -0.35 -2.12 0.00 0.00 175.29 175.06 1mx9 n PRO 3070N 1.96 1.32 -1.12 2.91 -0.04 -1.26 0.10 135.00 138.87 1mx9 n PRO 3070Ca -0.17 0.46 -0.31 0.00 -0.04 0.00 0.00 63.50 63.44 1mx9 n PRO 3070Cb 0.53 -1.85 0.12 0.00 -0.04 0.00 0.00 33.50 32.26 1mx9 n PRO 3070CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1mx9 s ALA 3071N -0.89 1.93 0.45 0.55 0.00 -1.26 -3.94 121.76 118.59 1mx9 s ALA 3071Ca 0.61 0.27 -0.09 0.00 0.00 0.00 0.00 51.96 52.75 1mx9 s ALA 3071Cb -0.73 -3.30 -0.06 0.00 0.00 0.00 0.00 23.12 19.04 1mx9 s ALA 3071CO 0.58 -2.11 0.80 -1.21 0.00 0.00 0.00 175.76 173.83 1mx9 s GLU 3072N -4.85 3.71 0.45 0.00 8.01 -1.26 -4.87 118.70 119.89 1mx9 s GLU 3072Ca 0.63 0.44 -0.21 0.00 0.01 0.00 0.00 54.97 55.84 1mx9 s GLU 3072Cb -0.19 -2.35 -0.10 0.00 -4.31 0.00 0.00 34.13 27.18 1mx9 s GLU 3072CO 0.57 -0.13 0.99 -2.14 0.01 0.00 0.00 175.26 174.55 1mx9 s PRO 3073N -4.20 4.06 -0.03 0.39 0.02 -1.26 -4.97 135.00 129.01 1mx9 s PRO 3073Ca 0.51 1.22 0.06 0.00 0.02 0.00 0.00 61.00 62.81 1mx9 s PRO 3073Cb -0.10 -2.15 -0.01 0.00 0.02 0.00 0.00 34.50 32.25 1mx9 s PRO 3073CO 0.37 -0.19 -0.22 1.67 -0.33 0.00 0.00 177.00 178.30 1mx9 s TRP 3074N -2.09 2.00 0.44 6.54 -2.14 -0.88 -5.05 118.94 117.76 1mx9 s TRP 3074Ca 0.64 -0.45 -0.22 0.00 2.66 0.00 0.00 56.10 58.73 1mx9 s TRP 3074Cb -0.12 -1.30 -0.10 0.00 -3.10 0.00 0.00 33.47 28.85 1mx9 s TRP 3074CO 0.16 -0.09 1.00 -1.12 -2.66 0.00 0.00 176.95 174.24 1mx9 s SER 3075N -0.36 6.70 0.42 -2.66 0.01 -1.26 -4.60 113.70 111.95 1mx9 s SER 3075Ca 0.04 1.86 0.00 0.00 1.31 0.00 0.00 55.95 59.16 1mx9 s SER 3075Cb -0.10 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.57 1mx9 s SER 3075CO 0.00 -0.53 0.00 0.49 0.41 0.00 0.00 173.24 173.61 1mx9 n PHE 3076N -0.58 -0.38 -3.50 2.43 0.99 -1.26 -4.83 117.46 110.34 1mx9 n PHE 3076Ca 0.07 0.00 -0.37 0.00 -0.00 0.00 0.00 57.45 57.15 1mx9 n PHE 3076Cb 0.52 0.08 -0.07 0.00 -1.00 0.00 0.00 39.48 39.02 1mx9 n PHE 3076CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.76 176.84 1mx9 s VAL 3077N 0.00 5.27 -0.26 -4.37 1.01 -1.26 -3.45 120.40 117.34 1mx9 s VAL 3077Ca 0.00 0.64 -0.13 0.00 0.00 0.00 0.00 61.98 62.49 1mx9 s VAL 3077Cb 0.00 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 1mx9 s VAL 3077CO 0.00 0.39 0.29 -0.75 0.00 0.00 0.00 175.10 175.03 1mx9 s LYS 3078N 0.40 4.02 -1.01 2.72 2.20 0.36 -4.94 119.74 123.49 1mx9 s LYS 3078Ca 0.19 -0.09 -0.24 0.00 -0.36 0.00 0.00 55.97 55.46 1mx9 s LYS 3078Cb -0.14 -3.63 -0.08 0.00 -1.51 0.00 0.00 37.83 32.48 1mx9 s LYS 3078CO 0.06 -0.18 1.98 1.21 -0.36 0.00 0.00 175.35 178.06 1mx9 s ASN 3079N 1.54 4.94 -0.30 1.43 2.47 -1.26 -0.54 114.94 123.21 1mx9 s ASN 3079Ca 0.12 -1.03 -0.04 0.00 0.42 0.00 0.00 52.86 52.32 1mx9 s ASN 3079Cb -0.15 -2.57 -0.03 0.00 -1.45 0.00 0.00 41.25 37.04 1mx9 s ASN 3079CO 0.09 -3.04 2.96 0.00 -3.72 0.00 0.00 177.10 173.39 1mx9 n ALA 3080N 14.70 6.28 0.05 1.71 0.00 -0.24 -4.29 120.51 138.71 1mx9 n ALA 3080Ca 0.42 -2.51 0.02 0.00 0.00 0.00 0.00 53.44 51.37 1mx9 n ALA 3080Cb 0.47 -2.11 0.03 0.00 0.00 0.00 0.00 19.45 17.84 1mx9 n ALA 3080CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1mx9 n THR 3081N 1.34 0.51 -4.72 0.00 -2.24 -1.24 0.11 114.28 108.03 1mx9 n THR 3081Ca 0.45 -0.75 -0.31 0.00 -2.27 0.00 0.00 64.05 61.16 1mx9 n THR 3081Cb 0.66 0.79 -0.13 0.00 -2.10 0.00 0.00 70.33 69.55 1mx9 n THR 3081CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1mx9 s SER 3082N -0.67 3.77 0.18 3.42 0.01 -1.24 -4.83 113.70 114.34 1mx9 s SER 3082Ca 0.06 -0.41 -0.31 0.00 1.31 0.00 0.00 55.95 56.61 1mx9 s SER 3082Cb 0.04 -0.62 -0.09 0.00 0.21 0.00 0.00 66.02 65.56 1mx9 s SER 3082CO 0.05 0.27 1.47 -0.31 0.41 0.00 0.00 173.24 175.13 1mx9 s TYR 3083N -0.89 3.11 0.51 2.43 2.02 -1.26 -3.68 117.35 119.60 1mx9 s TYR 3083Ca 0.14 0.86 -0.19 0.00 -0.37 0.00 0.00 57.07 57.51 1mx9 s TYR 3083Cb -0.10 -3.81 -0.07 0.00 -0.40 0.00 0.00 41.96 37.57 1mx9 s TYR 3083CO 0.04 -2.84 1.05 -1.25 -1.57 0.00 0.00 175.55 170.98 1mx9 s PRO 3084N 0.64 3.67 1.00 -1.71 0.04 -1.26 -4.93 135.00 132.45 1mx9 s PRO 3084Ca 0.65 1.35 -0.13 0.00 0.04 0.00 0.00 61.00 62.91 1mx9 s PRO 3084Cb -0.41 -2.07 0.19 0.00 0.04 0.00 0.00 34.50 32.25 1mx9 s PRO 3084CO 0.35 -0.54 1.10 -1.25 0.04 0.00 0.00 177.00 176.70 1mx9 s PRO 3085N -3.40 0.41 0.34 0.56 0.04 -1.26 -4.86 135.00 126.84 1mx9 s PRO 3085Ca 0.67 0.42 0.05 0.00 0.04 0.00 0.00 61.00 62.19 1mx9 s PRO 3085Cb -0.17 -1.74 -0.01 0.00 0.04 0.00 0.00 34.50 32.62 1mx9 s PRO 3085CO 0.24 -2.72 0.49 0.00 0.04 0.00 0.00 177.00 175.05 1mx9 s MET 3086N -5.04 3.14 0.30 4.56 0.23 -0.41 -4.78 119.30 117.30 1mx9 s MET 3086Ca 0.65 -0.91 -0.28 0.00 -1.03 0.00 0.00 55.69 54.12 1mx9 s MET 3086Cb -0.18 -2.79 -0.09 0.00 -1.53 0.00 0.00 34.83 30.24 1mx9 s MET 3086CO 0.57 0.04 1.06 0.00 -2.03 0.00 0.00 175.02 174.66 1mx9 n THR 3088N 0.92 0.00 -3.82 0.00 -1.04 -1.20 -4.73 114.28 104.41 1mx9 n THR 3088Ca 0.00 0.00 -0.06 0.00 -2.04 0.00 0.00 64.05 61.96 1mx9 n THR 3088Cb 0.46 -0.11 -0.01 0.00 -1.82 0.00 0.00 70.33 68.85 1mx9 n THR 3088CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1mx9 s GLN 3089N 0.66 1.59 -0.06 -2.82 -2.07 -1.26 -4.77 119.66 110.93 1mx9 s GLN 3089Ca 0.75 -0.90 -0.30 0.00 -1.82 0.00 0.00 55.36 53.09 1mx9 s GLN 3089Cb -1.06 0.52 -0.08 0.00 -1.09 0.00 0.00 33.01 31.30 1mx9 s GLN 3089CO 0.51 -0.73 2.04 -3.47 -1.32 0.00 0.00 175.29 172.32 1mx9 n ASP 3090N -0.60 3.79 -0.21 12.60 -0.08 -1.26 -4.81 116.55 125.98 1mx9 n ASP 3090Ca -0.05 0.71 0.01 0.00 -1.51 0.00 0.00 54.79 53.94 1mx9 n ASP 3090Cb 0.60 -1.51 0.12 0.00 2.34 0.00 0.00 41.12 42.67 1mx9 n ASP 3090CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1mx9 h PRO 3091N 11.73 0.31 0.01 -0.67 0.13 -1.98 -1.40 132.00 140.12 1mx9 h PRO 3091Ca -0.47 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1mx9 h PRO 3091Cb 1.25 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1mx9 h PRO 3091CO 0.95 0.20 -0.00 0.87 -0.23 0.00 0.00 178.00 179.79 1mx9 h LYS 3092N 0.32 -0.01 -0.95 0.86 1.57 -1.98 -1.86 116.57 114.52 1mx9 h LYS 3092Ca 0.32 0.00 0.08 0.00 -1.87 0.00 0.00 60.65 59.19 1mx9 h LYS 3092Cb 0.47 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.71 1mx9 h LYS 3092CO -0.38 0.51 0.61 0.00 -0.57 0.00 0.00 179.45 179.62 1mx9 h ALA 3093N 0.45 1.51 -0.17 3.86 0.00 -1.91 0.11 119.26 123.11 1mx9 h ALA 3093Ca -0.00 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.70 1mx9 h ALA 3093Cb 0.52 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1mx9 h ALA 3093CO 0.00 0.32 -0.69 0.78 0.00 0.00 0.00 179.25 179.66 1mx9 h GLY 3094N 1.03 0.77 2.00 0.00 0.00 -1.30 -2.70 103.07 102.88 1mx9 h GLY 3094Ca 0.43 -1.02 -0.06 0.00 0.00 0.00 0.00 47.33 46.68 1mx9 h GLY 3094CO -0.18 0.91 -0.30 -1.61 0.00 0.00 0.00 176.54 175.36 1mx9 h GLN 3095N 0.50 0.00 0.01 4.80 4.15 -0.36 -1.73 115.11 122.48 1mx9 h GLN 3095Ca -0.03 0.00 -0.21 0.00 0.77 0.00 0.00 58.65 59.19 1mx9 h GLN 3095Cb 1.29 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.95 1mx9 h GLN 3095CO 0.14 0.30 -0.97 1.25 -1.93 0.00 0.00 178.83 177.61 1mx9 h LEU 3096N 0.00 0.04 -0.10 -2.39 5.85 -0.75 -3.25 115.31 114.71 1mx9 h LEU 3096Ca -0.00 -0.04 -0.24 0.00 0.84 0.00 0.00 57.88 58.43 1mx9 h LEU 3096Cb 0.60 -0.01 0.01 0.00 0.37 0.00 0.00 40.66 41.62 1mx9 h LEU 3096CO 0.04 0.99 -1.01 0.25 -0.34 0.00 0.00 178.44 178.37 1mx9 h LEU 3097N 0.01 0.59 -0.14 2.25 5.85 -1.13 -3.10 115.31 119.64 1mx9 h LEU 3097Ca -0.02 -0.49 0.03 0.00 0.84 0.00 0.00 57.88 58.23 1mx9 h LEU 3097Cb 1.71 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 42.53 1mx9 h LEU 3097CO 0.13 1.30 -0.03 -1.28 -0.34 0.00 0.00 178.44 178.23 1mx9 h SER 3098N 0.23 -0.11 0.40 1.25 0.87 -1.39 -2.40 113.55 112.40 1mx9 h SER 3098Ca -0.10 0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.49 1mx9 h SER 3098Cb 1.66 0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 63.67 1mx9 h SER 3098CO 0.18 -0.04 -0.42 -0.33 -0.53 0.00 0.00 176.83 175.70 1mx9 h GLU 3099N 0.01 -0.81 0.00 2.24 5.08 -1.62 0.91 114.58 120.39 1mx9 h GLU 3099Ca 0.07 0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1mx9 h GLU 3099Cb 0.09 0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.53 1mx9 h GLU 3099CO -0.13 -0.54 0.17 -0.07 -1.00 0.00 0.00 179.01 177.44 1mx9 h LEU 3100N -0.84 0.00 0.00 1.33 3.38 -1.46 -3.11 115.31 114.61 1mx9 h LEU 3100Ca -0.04 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.79 1mx9 h LEU 3100Cb 0.75 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.47 1mx9 h LEU 3100CO -0.07 0.00 -1.56 0.49 0.09 0.00 0.00 178.44 177.39 1mx9 n PHE 3101N -2.79 0.00 -1.69 1.13 3.01 -0.89 -4.97 117.46 111.26 1mx9 n PHE 3101Ca -0.02 0.00 -0.44 0.00 1.01 0.00 0.00 57.45 58.00 1mx9 n PHE 3101Cb 0.23 -0.39 -0.02 0.00 -0.01 0.00 0.00 39.48 39.28 1mx9 n PHE 3101CO 0.00 0.00 0.00 -2.37 1.01 0.00 0.00 176.76 175.40 1mx9 n THR 3102N -2.53 1.16 0.78 4.37 5.66 0.31 -4.79 114.28 119.24 1mx9 n THR 3102Ca -0.15 -0.29 0.12 0.00 -3.05 0.00 0.00 64.05 60.67 1mx9 n THR 3102Cb 0.73 -1.58 0.16 0.00 -1.55 0.00 0.00 70.33 68.09 1mx9 n THR 3102CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 1mx9 n ASN 3103N 1.90 0.60 -4.71 1.09 6.94 -1.26 -4.94 115.26 114.89 1mx9 n ASN 3103Ca 0.10 -0.16 -0.34 0.00 -0.02 0.00 0.00 54.58 54.16 1mx9 n ASN 3103Cb 0.33 0.37 0.11 0.00 -2.36 0.00 0.00 39.78 38.24 1mx9 n ASN 3103CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 1mx9 s ARG 3104N -3.09 1.83 0.21 -3.83 0.52 -1.26 -4.07 118.95 109.25 1mx9 s ARG 3104Ca 0.08 1.73 -0.07 0.00 -0.52 0.00 0.00 55.73 56.94 1mx9 s ARG 3104Cb 0.16 -1.80 0.14 0.00 0.52 0.00 0.00 34.95 33.97 1mx9 s ARG 3104CO 0.73 -2.06 1.71 -0.22 0.02 0.00 0.00 175.30 175.48 1mx9 h LYS 3105N -0.71 1.08 -4.27 3.54 3.11 -1.92 -3.41 116.57 113.99 1mx9 h LYS 3105Ca -0.47 -0.28 -0.48 0.00 -2.81 0.00 0.00 60.65 56.61 1mx9 h LYS 3105Cb 1.29 -0.13 -0.35 0.00 -1.00 0.00 0.00 32.23 32.04 1mx9 h LYS 3105CO 0.48 0.98 -0.80 -1.21 -2.81 0.00 0.00 179.45 176.09 1mx9 s GLU 3106N -5.21 1.36 0.48 1.90 2.02 -1.26 -5.04 118.70 112.95 1mx9 s GLU 3106Ca -0.12 -0.26 -0.24 0.00 0.02 0.00 0.00 54.97 54.38 1mx9 s GLU 3106Cb 0.15 -1.27 -0.07 0.00 0.10 0.00 0.00 34.13 33.04 1mx9 s GLU 3106CO 0.85 -0.10 1.31 1.21 0.02 0.00 0.00 175.26 178.55 1mx9 s ASN 3107N 1.08 5.81 -0.17 -0.19 3.04 -1.26 -4.98 114.94 118.27 1mx9 s ASN 3107Ca -0.08 2.66 -0.17 0.00 0.04 0.00 0.00 52.86 55.32 1mx9 s ASN 3107Cb -0.14 -2.63 -0.04 0.00 -1.54 0.00 0.00 41.25 36.89 1mx9 s ASN 3107CO -0.01 -1.20 0.44 -0.63 -3.04 0.00 0.00 177.10 172.67 1mx9 s ILE 3108N -1.33 5.19 0.02 -5.21 1.01 -1.26 -5.05 121.20 114.58 1mx9 s ILE 3108Ca 0.65 0.83 -0.30 0.00 0.00 0.00 0.00 60.65 61.82 1mx9 s ILE 3108Cb -0.38 -3.77 -0.06 0.00 0.01 0.00 0.00 42.46 38.26 1mx9 s ILE 3108CO 0.47 0.28 1.41 -2.84 0.00 0.00 0.00 174.94 174.25 1mx9 s PRO 3109N 1.02 4.29 0.19 2.79 0.02 -1.26 -5.01 135.00 137.04 1mx9 s PRO 3109Ca 0.22 1.99 0.09 0.00 0.02 0.00 0.00 61.00 63.33 1mx9 s PRO 3109Cb -0.15 -3.52 -0.04 0.00 0.02 0.00 0.00 34.50 30.81 1mx9 s PRO 3109CO 0.09 -0.55 -0.09 -0.51 -0.33 0.00 0.00 177.00 175.60 1mx9 s LEU 3110N 2.18 2.99 0.02 -5.54 1.43 -1.26 -5.12 118.68 113.37 1mx9 s LEU 3110Ca 0.64 -0.59 -0.01 0.00 -1.03 0.00 0.00 54.13 53.14 1mx9 s LEU 3110Cb -0.33 -1.65 -0.04 0.00 0.03 0.00 0.00 46.19 44.20 1mx9 s LEU 3110CO 0.27 0.09 0.15 -0.54 0.23 0.00 0.00 176.35 176.56 1mx9 s LYS 3111N -2.92 3.27 0.34 1.70 3.01 -1.26 -4.95 119.74 118.94 1mx9 s LYS 3111Ca 0.26 -0.43 -0.14 0.00 -1.01 0.00 0.00 55.97 54.64 1mx9 s LYS 3111Cb -0.08 -2.98 -0.09 0.00 -1.01 0.00 0.00 37.83 33.67 1mx9 s LYS 3111CO 0.16 0.64 0.75 -0.51 0.51 0.00 0.00 175.35 176.90 1mx9 s LEU 3112N -2.05 4.01 -0.30 3.17 1.43 -1.26 -1.29 118.68 122.39 1mx9 s LEU 3112Ca 0.28 1.27 -0.25 0.00 -1.03 0.00 0.00 54.13 54.40 1mx9 s LEU 3112Cb -0.12 -4.09 0.20 0.00 0.03 0.00 0.00 46.19 42.20 1mx9 s LEU 3112CO 0.20 -0.25 1.50 -0.55 0.23 0.00 0.00 176.35 177.47 1mx9 s SER 3113N -2.44 -0.00 0.40 2.29 0.15 -0.61 -4.86 113.70 108.62 1mx9 s SER 3113Ca 0.54 0.00 0.16 0.00 0.70 0.00 0.00 55.95 57.35 1mx9 s SER 3113Cb -0.10 0.00 0.83 0.00 -1.71 0.00 0.00 66.02 65.04 1mx9 s SER 3113CO 0.20 -0.00 1.85 -0.33 1.20 0.00 0.00 173.24 176.16 1mx9 h GLU 3114N 2.96 0.00 -5.81 5.44 5.08 -1.95 -3.19 114.58 117.11 1mx9 h GLU 3114Ca -0.26 0.00 -0.64 0.00 -1.00 0.00 0.00 59.36 57.46 1mx9 h GLU 3114Cb 1.20 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 30.34 1mx9 h GLU 3114CO 0.19 0.33 1.58 0.34 -1.00 0.00 0.00 179.01 180.45 1mx9 s ASP 3115N -6.74 6.64 0.00 1.42 2.15 -1.26 -4.56 116.67 114.32 1mx9 s ASP 3115Ca -0.02 -1.88 0.00 0.00 0.43 0.00 0.00 52.55 51.07 1mx9 s ASP 3115Cb 0.14 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.22 1mx9 s ASP 3115CO 0.70 -1.31 0.25 0.00 -0.17 0.00 0.00 175.17 174.63 1mx9 s LEU 3117N -0.02 3.40 0.26 0.00 1.43 -1.26 -4.75 118.68 117.73 1mx9 s LEU 3117Ca 0.00 -1.91 0.02 0.00 -1.03 0.00 0.00 54.13 51.21 1mx9 s LEU 3117Cb 0.00 -2.58 -0.05 0.00 0.03 0.00 0.00 46.19 43.58 1mx9 s LEU 3117CO 0.00 -2.21 0.08 -0.31 0.23 0.00 0.00 176.35 174.14 1mx9 s TYR 3118N 7.90 1.57 -0.05 0.29 1.51 -1.26 -2.60 117.35 124.71 1mx9 s TYR 3118Ca 0.61 -1.12 -0.05 0.00 -1.01 0.00 0.00 57.07 55.50 1mx9 s TYR 3118Cb 0.01 -0.93 0.01 0.00 -0.11 0.00 0.00 41.96 40.94 1mx9 s TYR 3118CO 0.09 -0.26 0.13 -0.48 -1.11 0.00 0.00 175.55 173.92 1mx9 s LEU 3119N -3.32 1.50 -0.14 -1.29 0.05 0.18 -2.40 118.68 113.26 1mx9 s LEU 3119Ca 0.36 0.22 -0.06 0.00 0.05 0.00 0.00 54.13 54.69 1mx9 s LEU 3119Cb 0.08 0.48 -0.04 0.00 -2.05 0.00 0.00 46.19 44.66 1mx9 s LEU 3119CO 0.13 -0.08 0.08 0.20 -0.55 0.00 0.00 176.35 176.13 1mx9 s ASN 3120N -0.09 5.85 -0.05 1.48 0.01 0.26 -1.95 114.94 120.45 1mx9 s ASN 3120Ca -0.02 0.24 0.01 0.00 -0.71 0.00 0.00 52.86 52.39 1mx9 s ASN 3120Cb -0.02 -1.90 -0.03 0.00 0.41 0.00 0.00 41.25 39.72 1mx9 s ASN 3120CO 0.00 0.31 -0.06 -0.63 -1.51 0.00 0.00 177.10 175.21 1mx9 s ILE 3121N -0.41 3.78 -0.35 0.60 1.01 -0.11 -0.96 121.20 124.76 1mx9 s ILE 3121Ca 0.10 -0.54 -0.01 0.00 0.00 0.00 0.00 60.65 60.21 1mx9 s ILE 3121Cb -0.12 -2.59 0.12 0.00 0.01 0.00 0.00 42.46 39.89 1mx9 s ILE 3121CO 0.02 0.53 0.17 -0.31 0.00 0.00 0.00 174.94 175.35 1mx9 s TYR 3122N -0.89 1.18 -0.12 3.97 1.51 0.65 -1.50 117.35 122.16 1mx9 s TYR 3122Ca 0.14 -1.68 0.00 0.00 -1.01 0.00 0.00 57.07 54.52 1mx9 s TYR 3122Cb -0.11 -1.34 -0.02 0.00 -0.11 0.00 0.00 41.96 40.38 1mx9 s TYR 3122CO 0.04 -0.83 -0.12 -0.08 -1.11 0.00 0.00 175.55 173.44 1mx9 s THR 3123N 1.26 3.15 -0.37 -0.71 -1.32 -0.82 -0.78 115.64 116.06 1mx9 s THR 3123Ca 0.14 -0.64 0.23 0.00 -1.21 0.00 0.00 61.69 60.21 1mx9 s THR 3123Cb -0.20 -2.31 -0.08 0.00 -1.51 0.00 0.00 72.50 68.40 1mx9 s THR 3123CO -0.14 0.54 0.99 -0.81 -2.21 0.00 0.00 174.62 172.98 1mx9 n PRO 3124N 3.28 0.48 -1.55 7.08 -0.04 -1.26 -0.58 135.00 142.40 1mx9 n PRO 3124Ca -0.18 0.03 -0.38 0.00 -0.04 0.00 0.00 63.50 62.94 1mx9 n PRO 3124Cb 0.53 -1.69 0.05 0.00 -0.04 0.00 0.00 33.50 32.34 1mx9 n PRO 3124CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1mx9 n ALA 3125N -2.04 -0.42 -2.65 0.55 0.00 -1.26 -4.80 120.51 109.89 1mx9 n ALA 3125Ca 0.00 -0.01 -0.42 0.00 0.00 0.00 0.00 53.44 53.01 1mx9 n ALA 3125Cb 0.50 -1.98 -0.04 0.00 0.00 0.00 0.00 19.45 17.94 1mx9 n ALA 3125CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1mx9 s ASP 3126N -1.23 6.32 0.03 0.00 -1.08 -1.26 -4.83 116.67 114.63 1mx9 s ASP 3126Ca 0.73 -0.35 0.02 0.00 -0.52 0.00 0.00 52.55 52.43 1mx9 s ASP 3126Cb -0.43 -2.48 0.12 0.00 -1.46 0.00 0.00 42.92 38.67 1mx9 s ASP 3126CO 0.50 -1.40 1.06 0.18 0.52 0.00 0.00 175.17 176.03 1mx9 n LEU 3127N 7.99 0.06 -0.97 -1.34 4.77 -1.26 -1.73 117.00 124.52 1mx9 n LEU 3127Ca 0.03 0.52 0.08 0.00 -0.03 0.00 0.00 56.01 56.61 1mx9 n LEU 3127Cb 0.48 -0.53 0.23 0.00 -2.33 0.00 0.00 43.42 41.27 1mx9 n LEU 3127CO 0.67 -0.54 0.70 0.35 -1.33 0.00 0.00 177.39 177.23 1mx9 n THR 3128N -1.57 0.71 -2.05 -5.08 -2.24 -1.26 -4.92 114.28 97.87 1mx9 n THR 3128Ca -0.00 -0.71 0.00 0.00 -2.27 0.00 0.00 64.05 61.07 1mx9 n THR 3128Cb 0.01 0.35 0.00 0.00 -2.10 0.00 0.00 70.33 68.59 1mx9 n THR 3128CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1mx9 n LYS 3129N 1.05 1.63 -4.52 -0.78 5.02 -0.70 -5.14 118.16 114.72 1mx9 n LYS 3129Ca 0.18 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 56.13 1mx9 n LYS 3129Cb 0.44 0.00 -0.13 0.00 -0.02 0.00 0.00 35.03 35.32 1mx9 n LYS 3129CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1mx9 s LYS 3130N 1.95 3.50 0.04 1.97 1.02 -1.26 -5.03 119.74 121.93 1mx9 s LYS 3130Ca 0.00 -0.61 -0.06 0.00 0.02 0.00 0.00 55.97 55.32 1mx9 s LYS 3130Cb 0.00 -2.79 -0.01 0.00 -0.52 0.00 0.00 37.83 34.51 1mx9 s LYS 3130CO 0.00 0.18 0.10 -0.80 -0.92 0.00 0.00 175.35 173.91 1mx9 s ASN 3131N 0.48 0.17 -0.40 2.83 -0.87 -1.26 -4.99 114.94 110.90 1mx9 s ASN 3131Ca -0.06 -0.52 0.10 0.00 -1.57 0.00 0.00 52.86 50.82 1mx9 s ASN 3131Cb -0.15 0.23 0.37 0.00 -0.02 0.00 0.00 41.25 41.68 1mx9 s ASN 3131CO 0.04 -0.51 1.09 0.54 -2.57 0.00 0.00 177.10 175.68 1mx9 n ARG 3132N 0.78 1.09 -2.41 -0.60 5.12 -1.26 -3.98 116.66 115.39 1mx9 n ARG 3132Ca -0.19 -2.43 -0.40 0.00 -1.93 0.00 0.00 57.85 52.90 1mx9 n ARG 3132Cb 0.58 -0.90 -0.04 0.00 -1.16 0.00 0.00 32.46 30.95 1mx9 n ARG 3132CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1mx9 s LEU 3133N -2.75 4.52 0.68 0.55 1.43 -1.24 -4.18 118.68 117.70 1mx9 s LEU 3133Ca 0.26 2.32 -0.17 0.00 -1.03 0.00 0.00 54.13 55.52 1mx9 s LEU 3133Cb 0.37 -3.63 -0.02 0.00 0.03 0.00 0.00 46.19 42.94 1mx9 s LEU 3133CO -0.05 -0.22 0.92 -0.81 0.23 0.00 0.00 176.35 176.42 1mx9 n PRO 3134N 1.30 0.63 -4.70 1.29 -0.04 -1.26 -1.63 135.00 130.60 1mx9 n PRO 3134Ca -0.00 0.26 -0.33 0.00 -0.04 0.00 0.00 63.50 63.39 1mx9 n PRO 3134Cb 0.44 -2.16 -0.13 0.00 -0.04 0.00 0.00 33.50 31.61 1mx9 n PRO 3134CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1mx9 s VAL 3135N -1.71 3.31 -0.27 0.52 1.01 -0.57 -1.97 120.40 120.72 1mx9 s VAL 3135Ca 0.74 -0.58 0.01 0.00 0.00 0.00 0.00 61.98 62.14 1mx9 s VAL 3135Cb -0.37 -2.39 0.05 0.00 0.00 0.00 0.00 36.38 33.67 1mx9 s VAL 3135CO 0.49 0.53 -0.07 -0.04 0.00 0.00 0.00 175.10 176.02 1mx9 s MET 3136N 0.08 2.36 -0.22 2.72 -1.94 -0.15 0.87 119.30 123.02 1mx9 s MET 3136Ca -0.04 -1.28 -0.16 0.00 -1.71 0.00 0.00 55.69 52.50 1mx9 s MET 3136Cb -0.14 -3.00 -0.04 0.00 2.01 0.00 0.00 34.83 33.66 1mx9 s MET 3136CO 0.04 -0.57 0.40 0.08 -0.01 0.00 0.00 175.02 174.96 1mx9 s VAL 3137N 1.18 5.18 -0.16 -6.03 1.01 0.52 -1.40 120.40 120.71 1mx9 s VAL 3137Ca -0.07 0.68 -0.14 0.00 0.00 0.00 0.00 61.98 62.46 1mx9 s VAL 3137Cb -0.20 -3.73 -0.05 0.00 0.00 0.00 0.00 36.38 32.41 1mx9 s VAL 3137CO -0.04 0.21 0.29 0.86 0.00 0.00 0.00 175.10 176.43 1mx9 s TRP 3138N 1.59 3.46 -0.32 5.22 -0.11 0.39 -1.98 118.94 127.18 1mx9 s TRP 3138Ca 0.18 0.59 -0.00 0.00 1.22 0.00 0.00 56.10 58.09 1mx9 s TRP 3138Cb -0.15 -2.33 0.07 0.00 -1.50 0.00 0.00 33.47 29.56 1mx9 s TRP 3138CO 0.08 0.25 0.04 0.42 -4.62 0.00 0.00 176.95 173.12 1mx9 s ILE 3139N 0.43 2.82 0.93 5.86 1.01 -0.70 -1.76 121.20 129.79 1mx9 s ILE 3139Ca 0.16 -1.71 -0.10 0.00 0.00 0.00 0.00 60.65 58.99 1mx9 s ILE 3139Cb -0.13 -2.77 0.15 0.00 0.01 0.00 0.00 42.46 39.73 1mx9 s ILE 3139CO 0.04 -0.30 1.13 -1.38 0.00 0.00 0.00 174.94 174.43 1mx9 s HIS 3140N 1.15 1.70 0.35 3.97 -3.43 -1.26 -3.77 115.29 113.99 1mx9 s HIS 3140Ca -0.00 1.69 0.05 0.00 -0.80 0.00 0.00 55.06 56.00 1mx9 s HIS 3140Cb -0.20 -3.28 -0.01 0.00 -1.43 0.00 0.00 32.58 27.65 1mx9 s HIS 3140CO -0.03 -2.82 0.50 0.20 -2.00 0.00 0.00 174.74 170.58 1mx9 s GLY 3141N -2.74 1.57 0.00 -1.38 0.00 -1.25 -2.85 107.32 100.66 1mx9 s GLY 3141Ca 0.66 -1.38 0.00 0.00 0.00 0.00 0.00 44.72 44.00 1mx9 s GLY 3141CO 0.58 -1.29 0.00 0.61 0.00 0.00 0.00 173.10 173.01 1mx9 n GLY 3142N -1.70 -0.06 2.57 0.20 0.00 -1.26 -4.49 105.19 100.46 1mx9 n GLY 3142Ca -0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 1mx9 n GLY 3142CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mx9 n GLY 3143N 0.00 0.78 2.42 -0.02 0.00 -1.26 -1.36 105.19 105.75 1mx9 n GLY 3143Ca 0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 46.02 45.85 1mx9 n GLY 3143CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1mx9 n LEU 3144N -0.76 0.28 -0.03 0.99 4.77 -1.26 -4.64 117.00 116.34 1mx9 n LEU 3144Ca -0.07 0.03 -0.02 0.00 -0.03 0.00 0.00 56.01 55.92 1mx9 n LEU 3144Cb 0.41 -1.42 -0.06 0.00 -2.33 0.00 0.00 43.42 40.02 1mx9 n LEU 3144CO 0.10 -0.45 -0.71 0.23 -1.33 0.00 0.00 177.39 175.23 1mx9 n MET 3145N -1.45 2.43 -4.10 3.23 2.81 -0.46 0.85 117.12 120.43 1mx9 n MET 3145Ca -0.01 -0.01 -0.15 0.00 -1.81 0.00 0.00 57.70 55.72 1mx9 n MET 3145Cb 0.24 -1.19 -0.05 0.00 -0.71 0.00 0.00 33.22 31.51 1mx9 n MET 3145CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 1mx9 s VAL 3146N -2.23 0.00 0.00 2.03 -7.23 -0.47 -4.45 120.40 108.04 1mx9 s VAL 3146Ca -0.03 -1.63 0.00 0.00 -1.81 0.00 0.00 61.98 58.51 1mx9 s VAL 3146Cb 0.03 -2.60 0.00 0.00 0.56 0.00 0.00 36.38 34.37 1mx9 s VAL 3146CO 0.30 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.70 1mx9 n GLY 3147N -0.55 3.09 3.20 2.32 0.00 -1.26 -4.03 105.19 107.96 1mx9 n GLY 3147Ca 0.01 -1.88 -0.09 0.00 0.00 0.00 0.00 46.02 44.07 1mx9 n GLY 3147CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mx9 s ALA 3148N -2.60 -0.04 0.01 4.61 0.00 -1.26 -4.60 121.76 117.88 1mx9 s ALA 3148Ca 0.00 -0.78 -0.04 0.00 0.00 0.00 0.00 51.96 51.15 1mx9 s ALA 3148Cb 0.00 0.51 -0.28 0.00 0.00 0.00 0.00 23.12 23.34 1mx9 s ALA 3148CO 0.00 -0.50 0.89 0.00 0.00 0.00 0.00 175.76 176.14 1mx9 h ALA 3149N 2.80 0.24 0.00 0.00 0.00 -1.93 -3.31 119.26 117.06 1mx9 h ALA 3149Ca -0.34 -1.08 0.00 0.00 0.00 0.00 0.00 54.91 53.49 1mx9 h ALA 3149Cb 1.19 0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.24 1mx9 h ALA 3149CO 0.57 1.10 0.00 0.43 0.00 0.00 0.00 179.25 181.35 1mx9 n SER 3150N -3.47 0.00 -0.21 0.00 7.64 -1.26 -2.58 113.62 113.74 1mx9 n SER 3150Ca -0.16 0.41 -0.08 0.00 1.01 0.00 0.00 58.87 60.05 1mx9 n SER 3150Cb 1.04 -0.44 0.02 0.00 -1.01 0.00 0.00 64.21 63.83 1mx9 n SER 3150CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 1mx9 h THR 3151N 0.00 1.25 -3.58 0.44 2.02 -1.95 -3.41 112.91 107.68 1mx9 h THR 3151Ca 0.00 -0.89 -0.70 0.00 0.77 0.00 0.00 66.41 65.59 1mx9 h THR 3151Cb 0.12 0.71 -0.20 0.00 -1.74 0.00 0.00 68.15 67.04 1mx9 h THR 3151CO 0.00 0.33 -0.41 -0.31 0.37 0.00 0.00 175.52 175.50 1mx9 s TYR 3152N -5.32 3.23 -0.26 3.16 1.51 -1.06 -4.01 117.35 114.60 1mx9 s TYR 3152Ca -0.13 -0.42 -0.23 0.00 -1.01 0.00 0.00 57.07 55.29 1mx9 s TYR 3152Cb 0.13 -2.60 -0.01 0.00 -0.11 0.00 0.00 41.96 39.37 1mx9 s TYR 3152CO 0.81 -0.53 0.76 0.34 -1.11 0.00 0.00 175.55 175.83 1mx9 s ASP 3153N 1.71 6.73 0.00 2.29 3.68 -1.26 -4.95 116.67 124.86 1mx9 s ASP 3153Ca 0.07 0.88 0.28 0.00 2.13 0.00 0.00 52.55 55.91 1mx9 s ASP 3153Cb -0.18 -2.40 1.12 0.00 -1.45 0.00 0.00 42.92 40.01 1mx9 s ASP 3153CO 0.11 -0.49 1.80 0.61 0.13 0.00 0.00 175.17 177.32 1mx9 n GLY 3154N 3.94 -0.84 0.34 2.66 0.00 -1.26 -4.41 105.19 105.62 1mx9 n GLY 3154Ca 0.03 -0.30 -0.02 0.00 0.00 0.00 0.00 46.02 45.73 1mx9 n GLY 3154CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1mx9 h LEU 3155N 0.76 -1.10 0.08 0.99 6.46 -1.92 -0.37 115.31 120.21 1mx9 h LEU 3155Ca 0.00 0.25 -0.00 0.00 -0.12 0.00 0.00 57.88 58.01 1mx9 h LEU 3155Cb 0.39 0.59 0.00 0.00 -0.73 0.00 0.00 40.66 40.92 1mx9 h LEU 3155CO 0.00 -0.29 -0.04 0.00 -0.62 0.00 0.00 178.44 177.49 1mx9 h ALA 3156N 1.33 -1.02 -0.67 1.25 0.00 -1.82 -1.65 119.26 116.68 1mx9 h ALA 3156Ca 0.31 -0.02 0.11 0.00 0.00 0.00 0.00 54.91 55.31 1mx9 h ALA 3156Cb 0.57 0.05 -0.12 0.00 0.00 0.00 0.00 17.79 18.29 1mx9 h ALA 3156CO -0.80 -1.01 -0.35 1.25 0.00 0.00 0.00 179.25 178.34 1mx9 h LEU 3157N -0.11 -1.23 -0.55 0.00 5.85 -1.71 0.90 115.31 118.46 1mx9 h LEU 3157Ca -0.01 0.24 0.11 0.00 0.84 0.00 0.00 57.88 59.06 1mx9 h LEU 3157Cb 0.08 0.62 -0.10 0.00 0.37 0.00 0.00 40.66 41.63 1mx9 h LEU 3157CO 0.02 -0.30 -0.11 0.00 -0.34 0.00 0.00 178.44 177.70 1mx9 h ALA 3158N 1.05 0.39 -0.90 1.25 0.00 -1.11 -1.51 119.26 118.43 1mx9 h ALA 3158Ca 0.25 0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.37 1mx9 h ALA 3158Cb 0.56 0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1mx9 h ALA 3158CO -0.74 -0.43 0.00 0.00 0.00 0.00 0.00 179.25 178.08 1mx9 n ALA 3159N -2.90 -0.27 -0.39 0.00 0.00 0.13 -1.01 120.51 116.08 1mx9 n ALA 3159Ca 0.06 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.46 1mx9 n ALA 3159Cb 0.29 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.74 1mx9 n ALA 3159CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1mx9 n HIS 3160N -1.55 -0.13 1.24 0.00 -0.00 -0.19 -1.10 115.22 113.50 1mx9 n HIS 3160Ca 0.00 1.21 0.13 0.00 -0.00 0.00 0.00 57.72 59.06 1mx9 n HIS 3160Cb 0.00 -0.77 0.46 0.00 -0.00 0.00 0.00 29.99 29.68 1mx9 n HIS 3160CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 1mx9 n GLU 3161N -5.36 0.58 -3.31 -0.41 -0.58 -0.57 -4.99 120.64 106.00 1mx9 n GLU 3161Ca 0.07 -0.28 -0.11 0.00 -0.42 0.00 0.00 57.16 56.43 1mx9 n GLU 3161Cb 0.34 -1.49 0.01 0.00 -0.57 0.00 0.00 31.44 29.73 1mx9 n GLU 3161CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1mx9 n ASN 3162N -0.97 -6.78 -3.83 1.62 4.05 -0.18 -5.03 115.26 104.14 1mx9 n ASN 3162Ca 0.11 -0.44 -0.09 0.00 0.45 0.00 0.00 54.58 54.61 1mx9 n ASN 3162Cb 0.32 -4.33 -0.07 0.00 1.23 0.00 0.00 39.78 36.93 1mx9 n ASN 3162CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 177.26 174.89 1mx9 s VAL 3163N -3.10 0.13 -0.21 3.44 -7.23 -1.04 -4.76 120.40 107.63 1mx9 s VAL 3163Ca 0.11 -1.07 -0.20 0.00 -1.81 0.00 0.00 61.98 59.00 1mx9 s VAL 3163Cb -0.03 -1.25 -0.02 0.00 0.56 0.00 0.00 36.38 35.64 1mx9 s VAL 3163CO 0.79 -0.59 0.61 -0.69 -0.31 0.00 0.00 175.10 174.91 1mx9 s VAL 3164N -3.62 5.02 -0.23 1.32 1.01 -0.83 -4.37 120.40 118.70 1mx9 s VAL 3164Ca 0.03 1.13 -0.08 0.00 0.00 0.00 0.00 61.98 63.06 1mx9 s VAL 3164Cb 0.04 -3.93 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 1mx9 s VAL 3164CO -0.10 0.10 0.10 -0.69 0.00 0.00 0.00 175.10 174.51 1mx9 s VAL 3165N 2.03 4.79 -0.10 2.92 1.01 0.04 -0.98 120.40 130.10 1mx9 s VAL 3165Ca 0.27 -0.02 0.03 0.00 0.00 0.00 0.00 61.98 62.27 1mx9 s VAL 3165Cb -0.16 -3.21 -0.00 0.00 0.00 0.00 0.00 36.38 33.01 1mx9 s VAL 3165CO 0.10 0.37 -0.22 -0.69 0.00 0.00 0.00 175.10 174.66 1mx9 s VAL 3166N 1.08 2.25 -0.16 2.92 1.01 -0.49 -0.25 120.40 126.76 1mx9 s VAL 3166Ca 0.05 -0.95 -0.01 0.00 0.00 0.00 0.00 61.98 61.07 1mx9 s VAL 3166Cb -0.14 -1.87 -0.01 0.00 0.00 0.00 0.00 36.38 34.36 1mx9 s VAL 3166CO 0.04 0.55 -0.13 0.42 0.00 0.00 0.00 175.10 175.99 1mx9 s THR 3167N 0.30 2.90 0.37 3.92 -4.23 -0.13 0.15 115.64 118.92 1mx9 s THR 3167Ca -0.16 -0.69 0.08 0.00 -1.18 0.00 0.00 61.69 59.74 1mx9 s THR 3167Cb -0.17 -2.24 -0.03 0.00 1.34 0.00 0.00 72.50 71.39 1mx9 s THR 3167CO 0.08 0.50 0.26 0.27 -0.54 0.00 0.00 174.62 175.20 1mx9 s ILE 3168N 0.83 2.98 0.18 2.99 -4.36 -0.72 -0.58 121.20 122.51 1mx9 s ILE 3168Ca -0.04 -1.49 0.07 0.00 -0.26 0.00 0.00 60.65 58.93 1mx9 s ILE 3168Cb -0.15 -3.05 -0.04 0.00 1.25 0.00 0.00 42.46 40.47 1mx9 s ILE 3168CO 0.00 -0.10 -0.15 -1.10 0.24 0.00 0.00 174.94 173.83 1mx9 s GLN 3169N -3.99 1.25 -0.10 0.37 -0.21 -1.01 -4.45 119.66 111.52 1mx9 s GLN 3169Ca 0.42 -1.49 -0.18 0.00 0.02 0.00 0.00 55.36 54.13 1mx9 s GLN 3169Cb -0.03 -1.09 0.04 0.00 1.00 0.00 0.00 33.01 32.93 1mx9 s GLN 3169CO 0.25 0.19 0.45 1.52 -2.12 0.00 0.00 175.29 175.59 1mx9 s TYR 3170N -2.69 -0.43 0.14 0.91 1.13 -1.26 -4.68 117.35 110.47 1mx9 s TYR 3170Ca 0.19 0.92 -0.34 0.00 -1.41 0.00 0.00 57.07 56.42 1mx9 s TYR 3170Cb -0.02 0.19 -0.16 0.00 -1.10 0.00 0.00 41.96 40.87 1mx9 s TYR 3170CO 0.06 -0.35 1.29 0.54 -2.51 0.00 0.00 175.55 174.57 1mx9 n ARG 3171N 2.03 1.30 -3.47 -3.49 1.74 -1.26 -4.91 116.66 108.61 1mx9 n ARG 3171Ca -0.17 0.47 -0.20 0.00 -0.77 0.00 0.00 57.85 57.18 1mx9 n ARG 3171Cb 0.57 -2.06 -0.02 0.00 -1.02 0.00 0.00 32.46 29.93 1mx9 n ARG 3171CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1mx9 s LEU 3172N 0.56 3.56 0.00 0.55 1.43 -1.26 -4.03 118.68 119.49 1mx9 s LEU 3172Ca 0.78 -0.55 0.00 0.00 -1.03 0.00 0.00 54.13 53.33 1mx9 s LEU 3172Cb -0.87 -2.31 0.00 0.00 0.03 0.00 0.00 46.19 43.04 1mx9 s LEU 3172CO 0.49 -0.59 0.00 0.61 0.23 0.00 0.00 176.35 177.08 1mx9 n GLY 3173N -1.60 1.86 0.37 -3.19 0.00 0.25 -0.62 105.19 102.26 1mx9 n GLY 3173Ca 0.03 -0.25 -0.11 0.00 0.00 0.00 0.00 46.02 45.69 1mx9 n GLY 3173CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1mx9 h ILE 3174N 0.00 0.20 -0.78 -0.61 2.04 -1.92 0.53 117.51 116.97 1mx9 h ILE 3174Ca 0.00 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.04 1mx9 h ILE 3174Cb 0.00 0.20 -0.05 0.00 -0.74 0.00 0.00 36.82 36.23 1mx9 h ILE 3174CO 0.00 0.00 0.53 -0.50 0.00 0.00 0.00 178.15 178.18 1mx9 h TRP 3175N -0.42 0.35 0.09 1.37 6.55 -1.89 -1.18 115.95 120.83 1mx9 h TRP 3175Ca 0.10 0.01 -0.34 0.00 0.95 0.00 0.00 58.89 59.61 1mx9 h TRP 3175Cb 0.59 -0.11 -0.03 0.00 -0.86 0.00 0.00 29.16 28.75 1mx9 h TRP 3175CO -0.47 0.11 -1.89 0.41 -1.05 0.00 0.00 178.44 175.55 1mx9 n GLY 3176N -1.57 -0.71 0.87 1.49 0.00 0.21 -4.50 105.19 100.99 1mx9 n GLY 3176Ca 0.16 -0.20 0.04 0.00 0.00 0.00 0.00 46.02 46.02 1mx9 n GLY 3176CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1mx9 n PHE 3177N -3.34 0.00 -2.03 1.61 3.72 0.17 -0.36 117.46 117.22 1mx9 n PHE 3177Ca -0.27 -0.64 -0.42 0.00 -0.05 0.00 0.00 57.45 56.07 1mx9 n PHE 3177Cb 1.05 -0.14 -0.03 0.00 -0.94 0.00 0.00 39.48 39.42 1mx9 n PHE 3177CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 176.76 176.83 1mx9 s PHE 3178N -1.04 2.30 -0.04 1.38 2.19 -0.46 -4.55 117.98 117.76 1mx9 s PHE 3178Ca 0.26 0.37 0.02 0.00 0.33 0.00 0.00 56.93 57.91 1mx9 s PHE 3178Cb 0.27 -3.87 0.01 0.00 -1.31 0.00 0.00 43.02 38.12 1mx9 s PHE 3178CO -0.08 -3.54 -0.11 0.45 1.83 0.00 0.00 175.22 173.78 1mx9 s SER 3179N 2.74 1.51 0.00 6.13 0.15 -1.26 -4.20 113.70 118.76 1mx9 s SER 3179Ca 0.71 -0.24 0.23 0.00 0.70 0.00 0.00 55.95 57.35 1mx9 s SER 3179Cb -0.35 -0.56 0.48 0.00 -1.71 0.00 0.00 66.02 63.88 1mx9 s SER 3179CO 0.29 0.05 1.43 0.35 1.20 0.00 0.00 173.24 176.57 1mx9 n THR 3180N 3.56 0.62 -0.59 6.45 -2.24 0.10 -4.43 114.28 117.76 1mx9 n THR 3180Ca -0.21 -0.81 0.00 0.00 -2.27 0.00 0.00 64.05 60.76 1mx9 n THR 3180Cb 0.53 0.88 0.00 0.00 -2.10 0.00 0.00 70.33 69.63 1mx9 n THR 3180CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mx9 n GLY 3181N 1.54 1.09 1.06 3.38 0.00 -1.25 -4.55 105.19 106.46 1mx9 n GLY 3181Ca 0.21 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.18 1mx9 n GLY 3181CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1mx9 n ASP 3182N 0.00 -0.43 0.26 1.61 3.85 -1.26 -5.01 116.55 115.57 1mx9 n ASP 3182Ca 0.00 -1.60 0.18 0.00 -0.71 0.00 0.00 54.79 52.66 1mx9 n ASP 3182Cb 0.00 0.80 0.85 0.00 -1.35 0.00 0.00 41.12 41.42 1mx9 n ASP 3182CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.20 177.24 1mx9 h GLU 3183N 0.00 0.00 0.00 0.11 9.09 -1.95 -1.48 114.58 120.35 1mx9 h GLU 3183Ca -0.09 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.32 1mx9 h GLU 3183Cb 0.37 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.47 1mx9 h GLU 3183CO 0.12 0.00 0.00 0.45 0.05 0.00 0.00 179.01 179.63 1mx9 h HIS 3184N 0.00 0.00 -0.10 2.06 3.86 -1.95 -3.38 115.15 115.63 1mx9 h HIS 3184Ca 0.06 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.25 1mx9 h HIS 3184Cb 0.65 0.00 -0.14 0.00 1.06 0.00 0.00 27.41 28.98 1mx9 h HIS 3184CO 0.00 0.00 -0.09 0.45 0.86 0.00 0.00 177.93 179.15 1mx9 n SER 3185N -2.71 -1.36 0.16 2.45 2.88 -0.65 -4.91 113.62 109.47 1mx9 n SER 3185Ca 0.01 -1.20 -0.13 0.00 -1.33 0.00 0.00 58.87 56.22 1mx9 n SER 3185Cb 0.28 0.70 -0.07 0.00 -0.75 0.00 0.00 64.21 64.37 1mx9 n SER 3185CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1mx9 h ARG 3186N 3.81 -0.64 0.00 -1.46 3.08 -1.51 0.31 114.38 117.96 1mx9 h ARG 3186Ca -0.09 0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1mx9 h ARG 3186Cb 1.18 0.15 0.00 0.00 0.08 0.00 0.00 29.97 31.38 1mx9 h ARG 3186CO -0.14 -0.43 0.00 0.41 -1.07 0.00 0.00 179.97 178.74 1mx9 n GLY 3187N -1.40 0.45 2.50 0.04 0.00 -1.26 -4.43 105.19 101.10 1mx9 n GLY 3187Ca -0.08 -2.21 -0.21 0.00 0.00 0.00 0.00 46.02 43.52 1mx9 n GLY 3187CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1mx9 n ASN 3188N 0.52 -5.87 -0.27 1.61 3.02 -1.26 -4.87 115.26 108.14 1mx9 n ASN 3188Ca 0.00 -0.07 0.01 0.00 -0.03 0.00 0.00 54.58 54.49 1mx9 n ASN 3188Cb 0.00 -4.84 0.14 0.00 -0.61 0.00 0.00 39.78 34.47 1mx9 n ASN 3188CO 0.00 0.00 0.00 -0.50 -2.62 0.00 0.00 177.26 174.14 1mx9 h TRP 3189N -0.26 0.79 -0.34 3.10 -0.00 -1.03 -0.55 115.95 117.67 1mx9 h TRP 3189Ca -0.49 0.03 0.05 0.00 -0.00 0.00 0.00 58.89 58.47 1mx9 h TRP 3189Cb 1.36 -0.24 -0.04 0.00 -0.00 0.00 0.00 29.16 30.23 1mx9 h TRP 3189CO 0.54 0.35 0.08 0.78 -0.00 0.00 0.00 178.44 180.18 1mx9 h GLY 3190N 0.76 0.40 1.55 1.49 0.00 -1.26 0.11 103.07 106.12 1mx9 h GLY 3190Ca 0.36 -0.03 -0.06 0.00 0.00 0.00 0.00 47.33 47.60 1mx9 h GLY 3190CO -0.22 -0.01 -0.03 0.45 0.00 0.00 0.00 176.54 176.73 1mx9 h HIS 3191N 0.20 0.58 -0.09 5.60 3.86 -1.64 -0.79 115.15 122.86 1mx9 h HIS 3191Ca 0.16 -0.07 -0.08 0.00 -1.16 0.00 0.00 60.37 59.22 1mx9 h HIS 3191Cb 0.17 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 28.46 1mx9 h HIS 3191CO -0.17 0.58 -0.32 -0.07 0.86 0.00 0.00 177.93 178.81 1mx9 h LEU 3192N 0.53 0.18 -0.08 2.43 3.38 -0.22 -2.00 115.31 119.52 1mx9 h LEU 3192Ca 0.11 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1mx9 h LEU 3192Cb 0.38 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 1mx9 h LEU 3192CO 0.02 0.49 -0.04 0.44 0.09 0.00 0.00 178.44 179.44 1mx9 h ASP 3193N 0.16 0.18 -0.57 -0.43 3.32 0.24 -1.07 116.42 118.25 1mx9 h ASP 3193Ca 0.02 -0.42 0.07 0.00 0.02 0.00 0.00 57.03 56.72 1mx9 h ASP 3193Cb 0.64 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 40.11 1mx9 h ASP 3193CO 0.05 0.56 0.38 1.56 -1.72 0.00 0.00 179.24 180.07 1mx9 h GLN 3194N -0.20 0.47 -0.05 3.56 4.20 -0.95 0.92 115.11 123.05 1mx9 h GLN 3194Ca 0.02 -0.03 -0.17 0.00 0.06 0.00 0.00 58.65 58.53 1mx9 h GLN 3194Cb 0.49 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.16 1mx9 h GLN 3194CO 0.01 0.31 -0.71 0.28 -0.67 0.00 0.00 178.83 178.05 1mx9 h VAL 3195N 0.48 1.42 0.19 -0.54 2.07 -1.18 -2.10 116.25 116.58 1mx9 h VAL 3195Ca 0.25 -2.19 -0.01 0.00 0.82 0.00 0.00 66.70 65.57 1mx9 h VAL 3195Cb 0.37 2.15 0.00 0.00 -1.52 0.00 0.00 31.29 32.29 1mx9 h VAL 3195CO -0.07 0.65 -0.09 0.00 0.02 0.00 0.00 177.57 178.08 1mx9 h ALA 3196N 1.08 -0.25 -0.20 1.67 0.00 0.44 -1.61 119.26 120.38 1mx9 h ALA 3196Ca -0.02 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 54.79 1mx9 h ALA 3196Cb 1.26 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 19.09 1mx9 h ALA 3196CO 0.11 -0.51 -0.21 0.00 0.00 0.00 0.00 179.25 178.64 1mx9 h ALA 3197N 0.24 -0.11 -0.96 0.00 0.00 -1.09 0.81 119.26 118.15 1mx9 h ALA 3197Ca -0.03 0.07 0.24 0.00 0.00 0.00 0.00 54.91 55.20 1mx9 h ALA 3197Cb 0.39 0.44 -0.07 0.00 0.00 0.00 0.00 17.79 18.55 1mx9 h ALA 3197CO 0.04 -0.64 0.65 -0.07 0.00 0.00 0.00 179.25 179.22 1mx9 h LEU 3198N -0.23 0.32 -0.41 0.00 3.38 -1.24 0.86 115.31 117.99 1mx9 h LEU 3198Ca 0.12 0.04 -0.07 0.00 0.09 0.00 0.00 57.88 58.07 1mx9 h LEU 3198Cb 0.42 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1mx9 h LEU 3198CO -0.34 0.10 -0.34 -0.09 0.09 0.00 0.00 178.44 177.86 1mx9 h ARG 3199N 0.30 0.00 -0.14 1.13 2.43 0.12 -2.71 114.38 115.51 1mx9 h ARG 3199Ca 0.51 0.00 -0.17 0.00 -0.81 0.00 0.00 59.98 59.51 1mx9 h ARG 3199Cb 1.45 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.99 1mx9 h ARG 3199CO -0.17 0.34 -0.61 2.35 -1.51 0.00 0.00 179.97 180.37 1mx9 h TRP 3200N 0.00 0.61 0.00 2.20 7.01 0.21 -2.68 115.95 123.30 1mx9 h TRP 3200Ca -0.00 -0.23 -0.03 0.00 2.11 0.00 0.00 58.89 60.73 1mx9 h TRP 3200Cb 1.11 -0.11 -0.00 0.00 -2.10 0.00 0.00 29.16 28.05 1mx9 h TRP 3200CO 0.00 0.96 -0.15 0.28 -2.79 0.00 0.00 178.44 176.74 1mx9 h VAL 3201N 0.35 0.37 0.00 2.65 2.07 -1.08 -1.07 116.25 119.54 1mx9 h VAL 3201Ca -0.01 -0.98 -0.09 0.00 0.82 0.00 0.00 66.70 66.45 1mx9 h VAL 3201Cb 1.16 1.73 -0.01 0.00 -1.52 0.00 0.00 31.29 32.65 1mx9 h VAL 3201CO 0.11 0.15 -0.41 1.56 0.02 0.00 0.00 177.57 179.00 1mx9 h GLN 3202N 0.00 0.00 -0.05 1.57 1.08 -1.16 -3.11 115.11 113.44 1mx9 h GLN 3202Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1mx9 h GLN 3202Cb 0.72 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.15 1mx9 h GLN 3202CO 0.02 0.41 0.00 -0.25 -0.95 0.00 0.00 178.83 178.06 1mx9 n ASP 3203N -3.26 1.71 0.00 1.46 8.00 -1.09 -4.81 116.55 118.55 1mx9 n ASP 3203Ca 0.02 -1.42 0.00 0.00 0.71 0.00 0.00 54.79 54.10 1mx9 n ASP 3203Cb 0.65 -0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.72 1mx9 n ASP 3203CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1mx9 n ASN 3204N 0.23 0.39 -0.35 -2.24 3.02 -0.42 -4.76 115.26 111.13 1mx9 n ASN 3204Ca 0.04 0.00 0.29 0.00 -0.03 0.00 0.00 54.58 54.87 1mx9 n ASN 3204Cb 0.19 0.00 0.47 0.00 -0.61 0.00 0.00 39.78 39.83 1mx9 n ASN 3204CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1mx9 n ILE 3205N -2.60 -0.15 -0.00 2.41 0.13 -1.18 0.24 119.36 118.21 1mx9 n ILE 3205Ca 0.00 1.19 -0.09 0.00 -1.10 0.00 0.00 62.75 62.75 1mx9 n ILE 3205Cb 0.25 -1.96 -0.03 0.00 -0.84 0.00 0.00 39.64 37.06 1mx9 n ILE 3205CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1mx9 h ALA 3206N 1.02 -0.12 -1.41 1.51 0.00 -1.81 -1.29 119.26 117.16 1mx9 h ALA 3206Ca 0.60 0.05 0.41 0.00 0.00 0.00 0.00 54.91 55.97 1mx9 h ALA 3206Cb 2.02 0.36 -0.06 0.00 0.00 0.00 0.00 17.79 20.12 1mx9 h ALA 3206CO -0.27 -0.63 1.09 0.77 0.00 0.00 0.00 179.25 180.21 1mx9 h SER 3207N -0.23 0.00 -0.63 0.00 0.02 -0.51 0.75 113.55 112.96 1mx9 h SER 3207Ca 0.10 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.92 1mx9 h SER 3207Cb 0.37 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 62.83 1mx9 h SER 3207CO -0.26 0.00 0.17 0.49 -1.14 0.00 0.00 176.83 176.08 1mx9 n PHE 3208N -3.93 2.15 -2.65 3.45 3.01 -0.52 -4.76 117.46 114.22 1mx9 n PHE 3208Ca 0.31 -0.95 -0.09 0.00 1.01 0.00 0.00 57.45 57.73 1mx9 n PHE 3208Cb 1.53 -0.59 0.05 0.00 -0.01 0.00 0.00 39.48 40.46 1mx9 n PHE 3208CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1mx9 n GLY 3209N 0.14 -0.14 3.11 1.37 0.00 0.26 -4.76 105.19 105.17 1mx9 n GLY 3209Ca 0.33 0.03 -0.11 0.00 0.00 0.00 0.00 46.02 46.27 1mx9 n GLY 3209CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1mx9 s GLY 3210N -3.50 0.61 -0.30 -0.02 0.00 -0.99 -3.61 107.32 99.51 1mx9 s GLY 3210Ca 0.13 -1.07 -0.08 0.00 0.00 0.00 0.00 44.72 43.71 1mx9 s GLY 3210CO 0.42 -1.15 0.10 0.21 0.00 0.00 0.00 173.10 172.67 1mx9 s ASN 3211N -2.38 5.23 0.35 1.64 2.47 -0.65 -3.61 114.94 118.00 1mx9 s ASN 3211Ca 0.01 -0.63 0.12 0.00 0.42 0.00 0.00 52.86 52.78 1mx9 s ASN 3211Cb -0.01 -1.91 0.65 0.00 -1.45 0.00 0.00 41.25 38.52 1mx9 s ASN 3211CO -0.03 -0.18 1.79 1.55 -3.72 0.00 0.00 177.10 176.50 1mx9 h PRO 3212N 8.26 0.02 0.00 0.43 0.13 -1.89 -2.99 132.00 135.96 1mx9 h PRO 3212Ca -0.32 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1mx9 h PRO 3212Cb 1.13 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1mx9 h PRO 3212CO 0.61 0.42 0.00 0.41 -0.23 0.00 0.00 178.00 179.21 1mx9 n GLY 3213N -0.35 -0.44 2.60 1.56 0.00 -1.26 -3.98 105.19 103.32 1mx9 n GLY 3213Ca -0.02 -0.03 -0.17 0.00 0.00 0.00 0.00 46.02 45.80 1mx9 n GLY 3213CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1mx9 s SER 3214N -2.47 0.42 -0.11 1.61 0.15 -1.13 -4.92 113.70 107.25 1mx9 s SER 3214Ca 0.07 -2.29 -0.01 0.00 0.70 0.00 0.00 55.95 54.41 1mx9 s SER 3214Cb 0.04 0.55 -0.02 0.00 -1.71 0.00 0.00 66.02 64.88 1mx9 s SER 3214CO 0.09 -0.15 -0.08 -0.69 1.20 0.00 0.00 173.24 173.61 1mx9 s VAL 3215N 0.64 3.54 -0.19 4.45 1.01 -1.26 -1.51 120.40 127.08 1mx9 s VAL 3215Ca 0.28 -0.50 -0.01 0.00 0.00 0.00 0.00 61.98 61.74 1mx9 s VAL 3215Cb -0.02 -2.49 0.00 0.00 0.00 0.00 0.00 36.38 33.87 1mx9 s VAL 3215CO -0.11 0.54 -0.12 -0.89 0.00 0.00 0.00 175.10 174.52 1mx9 s THR 3216N -0.08 2.80 -0.43 3.92 2.01 0.25 -0.57 115.64 123.54 1mx9 s THR 3216Ca 0.00 -0.70 -0.16 0.00 0.31 0.00 0.00 61.69 61.14 1mx9 s THR 3216Cb -0.13 -2.23 0.03 0.00 0.01 0.00 0.00 72.50 70.18 1mx9 s THR 3216CO 0.03 0.48 0.39 0.27 -0.69 0.00 0.00 174.62 175.10 1mx9 s ILE 3217N 1.28 5.17 0.33 1.82 -4.36 -0.75 -0.35 121.20 124.34 1mx9 s ILE 3217Ca 0.03 -0.59 0.09 0.00 -0.26 0.00 0.00 60.65 59.93 1mx9 s ILE 3217Cb -0.14 -4.02 -0.06 0.00 1.25 0.00 0.00 42.46 39.49 1mx9 s ILE 3217CO -0.06 -0.42 -0.09 0.72 0.24 0.00 0.00 174.94 175.33 1mx9 s PHE 3218N 1.91 2.29 0.00 1.37 -0.71 -0.84 -1.66 117.98 120.34 1mx9 s PHE 3218Ca 0.08 -0.55 0.00 0.00 -1.04 0.00 0.00 56.93 55.43 1mx9 s PHE 3218Cb -0.19 -1.31 0.00 0.00 -1.21 0.00 0.00 43.02 40.31 1mx9 s PHE 3218CO 0.11 0.51 0.00 0.41 -1.34 0.00 0.00 175.22 174.91 1mx9 n GLY 3219N -0.74 1.24 3.75 1.99 0.00 -0.98 -1.72 105.19 108.74 1mx9 n GLY 3219Ca -0.05 -0.75 -0.25 0.00 0.00 0.00 0.00 46.02 44.96 1mx9 n GLY 3219CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1mx9 s GLU 3220N -2.00 2.23 1.53 1.61 -1.05 -1.25 -0.91 118.70 118.86 1mx9 s GLU 3220Ca 0.00 -1.88 0.00 0.00 -0.15 0.00 0.00 54.97 52.94 1mx9 s GLU 3220Cb 0.00 -1.97 0.00 0.00 -0.44 0.00 0.00 34.13 31.72 1mx9 s GLU 3220CO 0.00 -0.17 0.00 0.45 0.95 0.00 0.00 175.26 176.49 1mx9 n SER 3221N -1.28 0.00 0.09 0.83 2.88 -0.83 0.15 113.62 115.46 1mx9 n SER 3221Ca -0.02 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.57 1mx9 n SER 3221Cb 0.65 0.00 0.47 0.00 -0.75 0.00 0.00 64.21 64.58 1mx9 n SER 3221CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1mx9 h ALA 3222N -0.19 1.74 -0.03 -1.46 0.00 -1.86 0.21 119.26 117.67 1mx9 h ALA 3222Ca 0.00 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 1mx9 h ALA 3222Cb 0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1mx9 h ALA 3222CO 0.00 0.22 -0.50 0.78 0.00 0.00 0.00 179.25 179.75 1mx9 h GLY 3223N 0.44 0.09 1.00 0.00 0.00 0.15 0.32 103.07 105.08 1mx9 h GLY 3223Ca 0.09 -0.10 -0.18 0.00 0.00 0.00 0.00 47.33 47.15 1mx9 h GLY 3223CO -0.01 0.09 -0.62 -1.33 0.00 0.00 0.00 176.54 174.67 1mx9 h GLY 3224N 1.45 0.71 1.63 4.60 0.00 0.15 -1.45 103.07 110.15 1mx9 h GLY 3224Ca 0.00 -0.99 -0.03 0.00 0.00 0.00 0.00 47.33 46.31 1mx9 h GLY 3224CO 0.07 0.88 0.07 -2.09 0.00 0.00 0.00 176.54 175.47 1mx9 h GLU 3225N 0.30 0.48 0.14 4.80 4.22 -0.39 -1.29 114.58 122.83 1mx9 h GLU 3225Ca -0.04 -0.07 -0.01 0.00 0.08 0.00 0.00 59.36 59.32 1mx9 h GLU 3225Cb 1.25 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1mx9 h GLU 3225CO 0.13 0.45 -0.07 0.77 -2.18 0.00 0.00 179.01 178.11 1mx9 h SER 3226N 0.47 -0.16 -0.96 1.04 0.02 -0.11 -1.04 113.55 112.81 1mx9 h SER 3226Ca 0.11 -0.10 0.09 0.00 -0.84 0.00 0.00 61.79 61.05 1mx9 h SER 3226Cb 0.20 0.04 -0.08 0.00 0.14 0.00 0.00 62.40 62.70 1mx9 h SER 3226CO -0.00 0.00 0.60 0.58 -1.14 0.00 0.00 176.83 176.87 1mx9 h VAL 3227N -0.32 0.98 -0.49 2.27 2.07 -0.80 0.15 116.25 120.11 1mx9 h VAL 3227Ca -0.02 -0.35 0.03 0.00 0.82 0.00 0.00 66.70 67.18 1mx9 h VAL 3227Cb 0.26 -0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 29.86 1mx9 h VAL 3227CO 0.03 0.19 0.28 -1.28 0.02 0.00 0.00 177.57 176.81 1mx9 h SER 3228N 1.02 0.45 0.28 0.57 0.87 -0.81 -1.19 113.55 114.74 1mx9 h SER 3228Ca 0.45 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 61.01 1mx9 h SER 3228Cb 0.34 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.22 1mx9 h SER 3228CO -0.23 0.32 -0.13 0.58 -0.53 0.00 0.00 176.83 176.84 1mx9 h VAL 3229N 0.56 0.73 -0.52 2.23 2.07 0.53 -2.22 116.25 119.63 1mx9 h VAL 3229Ca 0.20 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.82 1mx9 h VAL 3229Cb 0.04 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 1mx9 h VAL 3229CO -0.10 0.00 0.36 -0.07 0.02 0.00 0.00 177.57 177.78 1mx9 h LEU 3230N -0.37 0.24 -2.16 2.57 3.38 -0.75 0.31 115.31 118.52 1mx9 h LEU 3230Ca -0.04 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1mx9 h LEU 3230Cb 0.29 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 1mx9 h LEU 3230CO 0.06 0.14 -0.06 0.58 0.09 0.00 0.00 178.44 179.25 1mx9 h VAL 3231N 0.27 0.37 -0.23 1.22 2.07 -0.59 -2.62 116.25 116.72 1mx9 h VAL 3231Ca 0.24 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.42 1mx9 h VAL 3231Cb 0.61 1.25 0.00 0.00 -1.52 0.00 0.00 31.29 31.63 1mx9 h VAL 3231CO -0.05 0.06 0.00 0.18 0.02 0.00 0.00 177.57 177.78 1mx9 n LEU 3232N -3.48 2.56 -4.59 2.57 4.77 0.96 -4.75 117.00 115.04 1mx9 n LEU 3232Ca -0.02 -1.74 -0.37 0.00 -0.03 0.00 0.00 56.01 53.84 1mx9 n LEU 3232Cb 0.19 -0.15 -0.11 0.00 -2.33 0.00 0.00 43.42 41.02 1mx9 n LEU 3232CO 0.27 0.61 -0.19 -0.55 -1.33 0.00 0.00 177.39 176.21 1mx9 s SER 3233N -0.95 5.94 0.61 -1.43 0.15 -0.47 -4.89 113.70 112.66 1mx9 s SER 3233Ca 0.18 0.00 0.39 0.00 0.70 0.00 0.00 55.95 57.22 1mx9 s SER 3233Cb 0.10 -2.09 2.13 0.00 -1.71 0.00 0.00 66.02 64.45 1mx9 s SER 3233CO 0.13 -0.01 2.20 1.55 1.20 0.00 0.00 173.24 178.31 1mx9 h PRO 3234N 8.10 0.00 0.00 5.44 0.13 -1.87 -0.85 132.00 142.95 1mx9 h PRO 3234Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 1mx9 h PRO 3234Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1mx9 h PRO 3234CO 0.58 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.63 1mx9 n LEU 3235N -2.92 0.73 -0.26 1.56 4.77 -1.26 -3.22 117.00 116.40 1mx9 n LEU 3235Ca -0.03 0.65 0.06 0.00 -0.03 0.00 0.00 56.01 56.67 1mx9 n LEU 3235Cb 0.11 -0.52 -0.01 0.00 -2.33 0.00 0.00 43.42 40.67 1mx9 n LEU 3235CO 0.17 -0.49 0.20 0.00 -1.33 0.00 0.00 177.39 175.94 1mx9 n ALA 3236N -1.79 3.08 -1.55 -1.18 0.00 -0.33 -4.93 120.51 113.82 1mx9 n ALA 3236Ca 0.03 -0.47 -0.44 0.00 0.00 0.00 0.00 53.44 52.56 1mx9 n ALA 3236Cb 0.28 -0.46 -0.01 0.00 0.00 0.00 0.00 19.45 19.26 1mx9 n ALA 3236CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1mx9 n LYS 3237N -0.33 1.07 0.00 0.00 2.85 -1.20 0.41 118.16 120.97 1mx9 n LYS 3237Ca 0.05 0.38 0.00 0.00 -1.05 0.00 0.00 58.31 57.69 1mx9 n LYS 3237Cb 0.26 -1.73 0.00 0.00 -0.65 0.00 0.00 35.03 32.91 1mx9 n LYS 3237CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1mx9 n ASN 3238N 1.18 0.00 0.06 -5.58 3.02 -1.26 -4.77 115.26 107.91 1mx9 n ASN 3238Ca 0.11 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.79 1mx9 n ASN 3238Cb 0.34 -0.44 0.45 0.00 -0.61 0.00 0.00 39.78 39.52 1mx9 n ASN 3238CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1mx9 n LEU 3239N 0.00 0.49 -4.04 3.41 4.77 0.17 -4.91 117.00 116.88 1mx9 n LEU 3239Ca 0.00 0.48 -0.14 0.00 -0.03 0.00 0.00 56.01 56.33 1mx9 n LEU 3239Cb 0.00 -0.37 -0.03 0.00 -2.33 0.00 0.00 43.42 40.69 1mx9 n LEU 3239CO 0.00 -0.09 0.20 0.72 -1.33 0.00 0.00 177.39 176.89 1mx9 s PHE 3240N -3.06 0.90 0.00 -1.77 -0.71 -1.25 -4.89 117.98 107.19 1mx9 s PHE 3240Ca 0.11 -1.20 0.00 0.00 -1.04 0.00 0.00 56.93 54.80 1mx9 s PHE 3240Cb 0.15 0.06 0.00 0.00 -1.21 0.00 0.00 43.02 42.02 1mx9 s PHE 3240CO 0.59 -1.19 0.00 0.72 -1.34 0.00 0.00 175.22 174.00 1mx9 n HIS 3241N -0.55 0.00 -3.75 3.49 8.25 0.26 -4.87 115.22 118.05 1mx9 n HIS 3241Ca -0.01 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.32 1mx9 n HIS 3241Cb 0.61 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.64 1mx9 n HIS 3241CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1mx9 s ARG 3242N -0.17 0.66 -0.01 -0.41 0.52 -1.12 -4.10 118.95 114.32 1mx9 s ARG 3242Ca 0.00 -0.13 -0.00 0.00 -0.52 0.00 0.00 55.73 55.08 1mx9 s ARG 3242Cb 0.00 0.29 0.00 0.00 0.52 0.00 0.00 34.95 35.77 1mx9 s ARG 3242CO 0.00 -0.18 0.02 0.00 0.02 0.00 0.00 175.30 175.16 1mx9 s ALA 3243N -1.21 -0.03 -0.10 2.13 0.00 -0.66 -1.81 121.76 120.09 1mx9 s ALA 3243Ca -0.12 0.07 0.01 0.00 0.00 0.00 0.00 51.96 51.91 1mx9 s ALA 3243Cb -0.05 -0.04 0.02 0.00 0.00 0.00 0.00 23.12 23.05 1mx9 s ALA 3243CO 0.04 -0.02 -0.11 0.42 0.00 0.00 0.00 175.76 176.10 1mx9 s ILE 3244N 0.11 1.20 -0.22 0.00 1.01 -0.66 0.12 121.20 122.74 1mx9 s ILE 3244Ca -0.01 -0.44 0.00 0.00 0.00 0.00 0.00 60.65 60.21 1mx9 s ILE 3244Cb -0.01 -1.15 0.03 0.00 0.01 0.00 0.00 42.46 41.34 1mx9 s ILE 3244CO -0.00 0.39 -0.13 -0.94 0.00 0.00 0.00 174.94 174.26 1mx9 s SER 3245N 1.28 3.88 -0.28 3.58 1.04 0.05 -2.31 113.70 120.95 1mx9 s SER 3245Ca -0.02 -0.88 -0.11 0.00 0.48 0.00 0.00 55.95 55.42 1mx9 s SER 3245Cb -0.14 -1.57 -0.05 0.00 0.10 0.00 0.00 66.02 64.37 1mx9 s SER 3245CO -0.04 -0.09 0.18 -1.61 0.98 0.00 0.00 173.24 172.66 1mx9 s GLU 3246N 1.27 3.89 -1.23 4.02 2.02 -0.09 -2.28 118.70 126.30 1mx9 s GLU 3246Ca 0.00 -0.35 -0.12 0.00 0.02 0.00 0.00 54.97 54.51 1mx9 s GLU 3246Cb -0.16 -3.62 -0.01 0.00 0.10 0.00 0.00 34.13 30.44 1mx9 s GLU 3246CO -0.08 -0.19 0.69 0.43 0.02 0.00 0.00 175.26 176.13 1mx9 n SER 3247N 5.04 -3.47 0.00 -0.19 7.64 -0.34 -1.96 113.62 120.34 1mx9 n SER 3247Ca -0.14 -0.98 0.00 0.00 1.01 0.00 0.00 58.87 58.75 1mx9 n SER 3247Cb 0.52 -3.42 0.00 0.00 -1.01 0.00 0.00 64.21 60.30 1mx9 n SER 3247CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1mx9 n GLY 3248N -1.74 3.96 3.54 0.23 0.00 -1.26 -2.86 105.19 107.05 1mx9 n GLY 3248Ca -0.18 -0.25 -0.09 0.00 0.00 0.00 0.00 46.02 45.50 1mx9 n GLY 3248CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1mx9 s VAL 3249N -0.92 0.01 -0.18 1.61 -7.23 -1.26 -3.30 120.40 109.13 1mx9 s VAL 3249Ca 0.00 -1.35 0.14 0.00 -1.81 0.00 0.00 61.98 58.95 1mx9 s VAL 3249Cb 0.00 -2.09 0.14 0.00 0.56 0.00 0.00 36.38 34.98 1mx9 s VAL 3249CO 0.00 -0.05 1.34 0.00 -0.31 0.00 0.00 175.10 176.08 1mx9 n ALA 3250N -0.35 0.78 0.75 1.32 0.00 -1.25 -0.33 120.51 121.42 1mx9 n ALA 3250Ca -0.03 0.13 0.11 0.00 0.00 0.00 0.00 53.44 53.65 1mx9 n ALA 3250Cb 0.62 -0.95 0.10 0.00 0.00 0.00 0.00 19.45 19.22 1mx9 n ALA 3250CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1mx9 n LEU 3251N -2.00 0.63 -4.57 0.00 4.77 -1.26 -4.77 117.00 109.79 1mx9 n LEU 3251Ca -0.01 -0.03 -0.40 0.00 -0.03 0.00 0.00 56.01 55.55 1mx9 n LEU 3251Cb 0.20 -0.15 -0.03 0.00 -2.33 0.00 0.00 43.42 41.11 1mx9 n LEU 3251CO 0.06 0.08 1.80 -0.89 -1.33 0.00 0.00 177.39 177.10 1mx9 s THR 3252N -3.11 3.17 -0.95 -5.08 2.01 0.55 -4.80 115.64 107.43 1mx9 s THR 3252Ca 0.07 0.14 0.02 0.00 0.31 0.00 0.00 61.69 62.23 1mx9 s THR 3252Cb 0.15 -3.33 0.02 0.00 0.01 0.00 0.00 72.50 69.36 1mx9 s THR 3252CO 0.76 -0.27 1.07 -1.54 -0.69 0.00 0.00 174.62 173.96 1mx9 n SER 3253N 13.09 0.03 0.06 3.53 3.41 -1.26 -2.24 113.62 130.24 1mx9 n SER 3253Ca 0.29 0.52 -0.04 0.00 -0.26 0.00 0.00 58.87 59.38 1mx9 n SER 3253Cb 0.50 -0.52 -0.08 0.00 -0.26 0.00 0.00 64.21 63.85 1mx9 n SER 3253CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 1mx9 h VAL 3254N 0.00 1.13 0.00 -3.33 3.04 -1.80 -3.28 116.25 112.00 1mx9 h VAL 3254Ca 0.00 -2.73 0.00 0.00 -1.01 0.00 0.00 66.70 62.96 1mx9 h VAL 3254Cb 0.02 2.52 0.00 0.00 -2.01 0.00 0.00 31.29 31.82 1mx9 h VAL 3254CO 0.00 0.64 -0.36 0.18 -1.01 0.00 0.00 177.57 177.02 1mx9 n LEU 3255N -3.18 0.63 -4.24 3.16 4.77 -0.95 -4.63 117.00 112.55 1mx9 n LEU 3255Ca -0.04 0.33 -0.34 0.00 -0.03 0.00 0.00 56.01 55.93 1mx9 n LEU 3255Cb 0.89 -0.27 -0.15 0.00 -2.33 0.00 0.00 43.42 41.57 1mx9 n LEU 3255CO 0.44 -0.06 -0.45 -0.69 -1.33 0.00 0.00 177.39 175.30 1mx9 s VAL 3256N -3.11 2.82 -0.42 4.08 1.01 -1.21 0.26 120.40 123.83 1mx9 s VAL 3256Ca 0.09 -0.69 -0.20 0.00 0.00 0.00 0.00 61.98 61.19 1mx9 s VAL 3256Cb 0.14 -2.24 0.02 0.00 0.00 0.00 0.00 36.38 34.30 1mx9 s VAL 3256CO 0.66 0.48 0.59 -0.54 0.00 0.00 0.00 175.10 176.29 1mx9 s LYS 3257N 1.30 3.32 -0.10 2.72 -0.14 0.97 -4.86 119.74 122.94 1mx9 s LYS 3257Ca 0.04 -0.38 -0.03 0.00 -1.36 0.00 0.00 55.97 54.24 1mx9 s LYS 3257Cb -0.14 -3.93 -0.03 0.00 -1.68 0.00 0.00 37.83 32.05 1mx9 s LYS 3257CO -0.06 -0.92 0.01 -1.59 -0.76 0.00 0.00 175.35 172.03 1mx9 s LYS 3258N 2.64 3.13 0.00 1.68 0.00 -1.26 -4.18 119.74 121.76 1mx9 s LYS 3258Ca 0.20 -0.41 0.00 0.00 0.00 0.00 0.00 55.97 55.77 1mx9 s LYS 3258Cb -0.15 -2.85 0.00 0.00 0.00 0.00 0.00 37.83 34.84 1mx9 s LYS 3258CO 0.17 0.63 0.00 0.41 0.00 0.00 0.00 175.35 176.56 1mx9 n GLY 3259N 2.37 -0.42 3.59 0.59 0.00 -1.26 -4.92 105.19 105.15 1mx9 n GLY 3259Ca -0.18 -1.96 -0.42 0.00 0.00 0.00 0.00 46.02 43.46 1mx9 n GLY 3259CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1mx9 s ASP 3260N -4.00 6.56 0.15 1.61 2.15 -1.26 -4.92 116.67 116.96 1mx9 s ASP 3260Ca 0.00 0.43 0.13 0.00 0.43 0.00 0.00 52.55 53.54 1mx9 s ASP 3260Cb 0.00 -2.38 -0.08 0.00 -0.30 0.00 0.00 42.92 40.16 1mx9 s ASP 3260CO 0.00 -0.64 1.17 -0.37 -0.17 0.00 0.00 175.17 175.16 1mx9 h VAL 3261N 5.66 0.96 -0.70 1.11 -1.51 -1.91 -3.38 116.25 116.48 1mx9 h VAL 3261Ca -0.25 -2.49 0.21 0.00 -1.23 0.00 0.00 66.70 62.95 1mx9 h VAL 3261Cb 1.10 2.42 -0.13 0.00 -2.13 0.00 0.00 31.29 32.55 1mx9 h VAL 3261CO 0.87 0.55 0.09 1.17 -1.23 0.00 0.00 177.57 179.02 1mx9 n LYS 3262N -3.15 -0.05 0.25 5.19 3.00 -1.26 0.13 118.16 122.27 1mx9 n LYS 3262Ca -0.03 1.03 0.08 0.00 -0.00 0.00 0.00 58.31 59.39 1mx9 n LYS 3262Cb 0.84 -1.68 0.62 0.00 0.00 0.00 0.00 35.03 34.82 1mx9 n LYS 3262CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.40 176.05 1mx9 h PRO 3263N 0.00 0.00 -0.13 1.64 0.11 -1.96 -1.52 132.00 130.14 1mx9 h PRO 3263Ca 0.46 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 66.35 1mx9 h PRO 3263Cb 1.01 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.13 1mx9 h PRO 3263CO -0.63 0.09 -0.75 1.25 -0.21 0.00 0.00 178.00 177.74 1mx9 h LEU 3264N 0.00 0.89 0.28 2.35 6.46 0.80 -2.78 115.31 123.31 1mx9 h LEU 3264Ca -0.00 -0.64 0.00 0.00 -0.12 0.00 0.00 57.88 57.12 1mx9 h LEU 3264Cb 0.17 -0.26 -0.02 0.00 -0.73 0.00 0.00 40.66 39.82 1mx9 h LEU 3264CO 0.01 1.39 -0.27 0.00 -0.62 0.00 0.00 178.44 178.96 1mx9 h ALA 3265N 0.52 -0.56 -0.70 1.25 0.00 -1.07 -1.15 119.26 117.54 1mx9 h ALA 3265Ca -0.06 -0.09 0.08 0.00 0.00 0.00 0.00 54.91 54.84 1mx9 h ALA 3265Cb 1.39 0.38 -0.06 0.00 0.00 0.00 0.00 17.79 19.50 1mx9 h ALA 3265CO 0.16 -0.85 0.38 0.93 0.00 0.00 0.00 179.25 179.86 1mx9 h GLU 3266N -0.57 0.65 0.07 0.00 5.08 -1.37 0.21 114.58 118.64 1mx9 h GLU 3266Ca -0.01 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1mx9 h GLU 3266Cb 0.52 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 1mx9 h GLU 3266CO -0.05 0.43 -0.16 0.37 -1.00 0.00 0.00 179.01 178.60 1mx9 h GLN 3267N 0.67 -0.30 0.70 2.33 4.15 -1.18 0.61 115.11 122.09 1mx9 h GLN 3267Ca 0.33 0.02 -0.03 0.00 0.77 0.00 0.00 58.65 59.74 1mx9 h GLN 3267Cb 0.27 0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.03 1mx9 h GLN 3267CO -0.22 -0.20 -0.36 0.82 -1.93 0.00 0.00 178.83 176.94 1mx9 h ILE 3268N -0.31 0.26 -0.27 2.39 2.04 -0.75 0.26 117.51 121.14 1mx9 h ILE 3268Ca 0.03 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.95 1mx9 h ILE 3268Cb 0.34 0.26 -0.08 0.00 -0.74 0.00 0.00 36.82 36.60 1mx9 h ILE 3268CO -0.11 0.00 -0.38 0.00 0.00 0.00 0.00 178.15 177.67 1mx9 h ALA 3269N -0.69 -0.40 -0.76 1.87 0.00 -0.38 -0.28 119.26 118.62 1mx9 h ALA 3269Ca -0.09 0.04 0.12 0.00 0.00 0.00 0.00 54.91 54.98 1mx9 h ALA 3269Cb 0.76 0.76 -0.08 0.00 0.00 0.00 0.00 17.79 19.22 1mx9 h ALA 3269CO 0.14 -0.83 0.37 0.82 0.00 0.00 0.00 179.25 179.75 1mx9 h ILE 3270N -0.37 0.79 0.00 0.00 2.04 0.36 0.38 117.51 120.70 1mx9 h ILE 3270Ca 0.12 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.78 1mx9 h ILE 3270Cb 0.58 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.80 1mx9 h ILE 3270CO -0.47 0.11 0.00 0.41 0.00 0.00 0.00 178.15 178.20 1mx9 n THR 3271N -4.88 1.51 0.20 -0.27 -1.04 0.07 -1.41 114.28 108.46 1mx9 n THR 3271Ca 0.13 0.38 0.07 0.00 -2.04 0.00 0.00 64.05 62.60 1mx9 n THR 3271Cb 0.34 -1.27 0.13 0.00 -1.82 0.00 0.00 70.33 67.71 1mx9 n THR 3271CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1mx9 n ALA 3272N -1.51 2.36 -2.09 2.41 0.00 0.13 -4.78 120.51 117.03 1mx9 n ALA 3272Ca 0.02 -0.89 -0.03 0.00 0.00 0.00 0.00 53.44 52.53 1mx9 n ALA 3272Cb 0.08 -0.53 -0.00 0.00 0.00 0.00 0.00 19.45 19.00 1mx9 n ALA 3272CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mx9 n GLY 3273N 0.83 0.27 3.63 0.00 0.00 -0.50 -5.05 105.19 104.36 1mx9 n GLY 3273Ca 0.12 -0.74 -0.30 0.00 0.00 0.00 0.00 46.02 45.09 1mx9 n GLY 3273CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mx9 s LYS 3275N -2.27 3.79 -0.28 0.00 1.02 -1.26 -3.85 119.74 116.88 1mx9 s LYS 3275Ca 0.24 0.69 0.09 0.00 0.02 0.00 0.00 55.97 57.01 1mx9 s LYS 3275Cb -0.11 -2.23 0.50 0.00 -0.52 0.00 0.00 37.83 35.47 1mx9 s LYS 3275CO 0.16 -0.25 1.44 0.25 -0.92 0.00 0.00 175.35 176.02 1mx9 n THR 3276N -1.80 2.51 0.03 2.17 -2.24 -1.26 -4.17 114.28 109.52 1mx9 n THR 3276Ca 0.05 -2.78 -0.10 0.00 -2.27 0.00 0.00 64.05 58.94 1mx9 n THR 3276Cb 0.54 -0.31 -0.04 0.00 -2.10 0.00 0.00 70.33 68.42 1mx9 n THR 3276CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1mx9 h THR 3277N 1.02 0.58 -4.24 4.28 2.02 -1.95 -3.45 112.91 111.16 1mx9 h THR 3277Ca 0.19 0.00 -0.16 0.00 0.77 0.00 0.00 66.41 67.21 1mx9 h THR 3277Cb 1.58 0.58 -0.14 0.00 -1.74 0.00 0.00 68.15 68.42 1mx9 h THR 3277CO 0.34 0.00 -0.52 0.42 0.37 0.00 0.00 175.52 176.13 1mx9 s THR 3278N -6.13 0.08 0.20 3.16 -4.23 -1.26 -5.01 115.64 102.44 1mx9 s THR 3278Ca -0.15 -1.73 -0.11 0.00 -1.18 0.00 0.00 61.69 58.52 1mx9 s THR 3278Cb 0.09 -2.03 0.13 0.00 1.34 0.00 0.00 72.50 72.03 1mx9 s THR 3278CO 0.67 -0.35 1.86 0.28 -0.54 0.00 0.00 174.62 176.54 1mx9 h SER 3279N 2.72 0.76 0.11 3.99 0.02 -1.95 -1.45 113.55 117.75 1mx9 h SER 3279Ca -0.34 -0.02 -0.10 0.00 -0.84 0.00 0.00 61.79 60.49 1mx9 h SER 3279Cb 1.22 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.56 1mx9 h SER 3279CO 0.54 0.54 -0.35 0.00 -1.14 0.00 0.00 176.83 176.43 1mx9 h ALA 3280N 1.26 1.10 -0.39 3.77 0.00 -1.97 -1.83 119.26 121.20 1mx9 h ALA 3280Ca 0.25 -0.38 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 1mx9 h ALA 3280Cb -0.08 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1mx9 h ALA 3280CO -0.07 0.57 -0.00 0.28 0.00 0.00 0.00 179.25 180.03 1mx9 h VAL 3281N 0.29 1.26 0.24 0.00 2.07 -1.77 -1.40 116.25 116.94 1mx9 h VAL 3281Ca 0.03 -1.01 -0.01 0.00 0.82 0.00 0.00 66.70 66.54 1mx9 h VAL 3281Cb 0.76 1.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.67 1mx9 h VAL 3281CO 0.06 0.34 -0.12 0.24 0.02 0.00 0.00 177.57 178.11 1mx9 h MET 3282N 0.51 -0.31 0.52 1.57 0.00 -1.10 -0.78 114.93 115.35 1mx9 h MET 3282Ca 0.11 0.02 -0.01 0.00 0.00 0.00 0.00 59.70 59.82 1mx9 h MET 3282Cb 0.47 0.07 -0.02 0.00 0.00 0.00 0.00 31.60 32.12 1mx9 h MET 3282CO 0.02 -0.15 -0.49 0.28 0.00 0.00 0.00 176.91 176.57 1mx9 h VAL 3283N -0.40 0.04 -0.75 -2.22 2.07 -1.33 -0.34 116.25 113.33 1mx9 h VAL 3283Ca -0.03 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.64 1mx9 h VAL 3283Cb 0.31 0.04 -0.10 0.00 -1.52 0.00 0.00 31.29 30.01 1mx9 h VAL 3283CO 0.05 0.00 0.23 -0.74 0.02 0.00 0.00 177.57 177.14 1mx9 h HIS 3284N -1.00 0.38 -0.79 1.57 -0.00 -1.28 -0.44 115.15 113.59 1mx9 h HIS 3284Ca -0.06 0.04 -0.03 0.00 -0.00 0.00 0.00 60.37 60.32 1mx9 h HIS 3284Cb 0.86 -0.05 -0.04 0.00 -0.00 0.00 0.00 27.41 28.19 1mx9 h HIS 3284CO -0.23 -0.03 0.37 0.00 -0.00 0.00 0.00 177.93 178.03 1mx9 h LEU 3286N 1.12 0.96 -0.40 0.00 3.38 0.11 -2.87 115.31 117.60 1mx9 h LEU 3286Ca 0.27 -0.60 0.00 0.00 0.09 0.00 0.00 57.88 57.64 1mx9 h LEU 3286Cb 0.14 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.61 1mx9 h LEU 3286CO -0.03 1.41 0.10 0.54 0.09 0.00 0.00 178.44 180.55 1mx9 n ARG 3287N -3.95 0.04 -0.05 1.13 1.74 -0.29 -0.42 116.66 114.86 1mx9 n ARG 3287Ca -0.07 0.48 -0.10 0.00 -0.77 0.00 0.00 57.85 57.39 1mx9 n ARG 3287Cb 0.73 -1.73 -0.15 0.00 -1.02 0.00 0.00 32.46 30.29 1mx9 n ARG 3287CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1mx9 n GLN 3288N -1.67 0.66 -1.25 5.56 1.13 -1.09 -4.84 117.38 115.89 1mx9 n GLN 3288Ca -0.00 0.17 -0.33 0.00 -1.94 0.00 0.00 57.00 54.89 1mx9 n GLN 3288Cb 0.11 -1.67 0.11 0.00 0.11 0.00 0.00 30.24 28.90 1mx9 n GLN 3288CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 1mx9 s LYS 3289N -2.55 1.88 0.91 -1.09 -0.14 0.44 -5.00 119.74 114.19 1mx9 s LYS 3289Ca -0.09 1.68 -0.12 0.00 -1.36 0.00 0.00 55.97 56.08 1mx9 s LYS 3289Cb 0.07 -1.81 0.19 0.00 -1.68 0.00 0.00 37.83 34.60 1mx9 s LYS 3289CO 0.82 -2.02 1.25 0.95 -0.76 0.00 0.00 175.35 175.59 1mx9 s THR 3290N -2.19 2.02 0.07 2.17 -4.23 -1.26 -4.85 115.64 107.37 1mx9 s THR 3290Ca 0.72 -0.15 -0.23 0.00 -1.18 0.00 0.00 61.69 60.84 1mx9 s THR 3290Cb -0.27 -2.87 -0.16 0.00 1.34 0.00 0.00 72.50 70.54 1mx9 s THR 3290CO 0.49 0.00 1.64 -0.08 -0.54 0.00 0.00 174.62 176.13 1mx9 h GLU 3291N -1.39 0.01 0.00 3.99 4.81 -1.98 -0.98 114.58 119.04 1mx9 h GLU 3291Ca -0.42 -0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 58.73 1mx9 h GLU 3291Cb 1.24 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.61 1mx9 h GLU 3291CO 0.37 0.11 -0.35 1.49 -0.73 0.00 0.00 179.01 179.90 1mx9 h GLU 3292N -0.09 0.00 -0.42 1.92 4.81 -1.98 0.16 114.58 118.98 1mx9 h GLU 3292Ca 0.00 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 1mx9 h GLU 3292Cb 0.10 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 1mx9 h GLU 3292CO -0.00 0.35 0.09 0.93 -0.73 0.00 0.00 179.01 179.66 1mx9 h GLU 3293N 0.00 0.67 -0.30 1.92 5.08 -1.82 0.02 114.58 120.15 1mx9 h GLU 3293Ca -0.00 -0.17 -0.12 0.00 -1.00 0.00 0.00 59.36 58.07 1mx9 h GLU 3293Cb 0.80 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 1mx9 h GLU 3293CO 0.05 0.69 -0.30 -0.07 -1.00 0.00 0.00 179.01 178.38 1mx9 h LEU 3294N 0.54 0.65 -1.44 1.33 3.38 -0.76 -2.55 115.31 116.47 1mx9 h LEU 3294Ca 0.13 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 1mx9 h LEU 3294Cb 0.33 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1mx9 h LEU 3294CO 0.00 0.91 0.20 0.25 0.09 0.00 0.00 178.44 179.89 1mx9 h LEU 3295N 0.54 0.52 -1.12 1.67 5.85 -0.54 0.40 115.31 122.63 1mx9 h LEU 3295Ca 0.07 -0.04 -0.09 0.00 0.84 0.00 0.00 57.88 58.66 1mx9 h LEU 3295Cb 0.78 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 1mx9 h LEU 3295CO 0.06 0.44 -0.41 -0.08 -0.34 0.00 0.00 178.44 178.12 1mx9 h GLU 3296N 0.58 0.00 0.17 1.25 4.57 -0.60 -2.43 114.58 118.13 1mx9 h GLU 3296Ca 0.15 0.00 -0.24 0.00 -1.18 0.00 0.00 59.36 58.09 1mx9 h GLU 3296Cb 0.07 0.00 0.03 0.00 -0.16 0.00 0.00 28.75 28.68 1mx9 h GLU 3296CO -0.02 0.41 -1.04 1.15 -1.18 0.00 0.00 179.01 178.33 1mx9 h THR 3297N 0.00 1.42 0.00 0.32 2.02 -0.82 -2.41 112.91 113.44 1mx9 h THR 3297Ca -0.00 -2.58 0.00 0.00 0.77 0.00 0.00 66.41 64.60 1mx9 h THR 3297Cb 0.79 3.14 0.00 0.00 -1.74 0.00 0.00 68.15 70.34 1mx9 h THR 3297CO 0.05 0.75 0.00 0.41 0.37 0.00 0.00 175.52 177.10 1mx9 n THR 3298N -3.99 1.05 -0.10 3.16 -1.04 0.12 -1.75 114.28 111.73 1mx9 n THR 3298Ca -0.15 0.26 -0.14 0.00 -2.04 0.00 0.00 64.05 61.98 1mx9 n THR 3298Cb 0.91 -1.26 -0.09 0.00 -1.82 0.00 0.00 70.33 68.07 1mx9 n THR 3298CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1mx9 n LEU 3299N -1.26 2.86 0.12 -4.42 7.94 -0.94 -4.44 117.00 116.86 1mx9 n LEU 3299Ca 0.00 -0.07 -0.01 0.00 -1.11 0.00 0.00 56.01 54.81 1mx9 n LEU 3299Cb 0.00 -0.67 0.24 0.00 0.53 0.00 0.00 43.42 43.53 1mx9 n LEU 3299CO 0.00 0.79 0.63 0.11 -1.11 0.00 0.00 177.39 177.82 1mx9 h LYS 3300N -0.06 0.15 0.00 1.96 1.57 -0.82 -2.43 116.57 116.94 1mx9 h LYS 3300Ca -0.44 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 1mx9 h LYS 3300Cb 1.65 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.96 1mx9 h LYS 3300CO -0.09 0.57 0.00 -1.33 -0.57 0.00 0.00 179.45 178.03 1mx9 n MET 3301N -4.01 0.15 -4.22 3.15 2.81 -0.84 -4.88 117.12 109.28 1mx9 n MET 3301Ca -0.02 0.15 -0.32 0.00 -1.81 0.00 0.00 57.70 55.71 1mx9 n MET 3301Cb 0.49 -1.50 -0.06 0.00 -0.71 0.00 0.00 33.22 31.44 1mx9 n MET 3301CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1mx9 n LYS 3302N -1.37 -2.11 -0.65 0.03 5.02 -0.91 -4.92 118.16 113.24 1mx9 n LYS 3302Ca 0.07 0.26 -0.29 0.00 -2.02 0.00 0.00 58.31 56.32 1mx9 n LYS 3302Cb 0.16 -4.37 0.26 0.00 -0.02 0.00 0.00 35.03 31.07 1mx9 n LYS 3302CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1mx9 n PHE 3303N -4.41 -3.83 -0.90 2.13 3.01 -1.26 -3.57 117.46 108.63 1mx9 n PHE 3303Ca -0.17 -0.89 0.00 0.00 1.01 0.00 0.00 57.45 57.40 1mx9 n PHE 3303Cb 0.61 -1.16 0.00 0.00 -0.01 0.00 0.00 39.48 38.92 1mx9 n PHE 3303CO 0.00 0.00 0.00 -0.11 1.01 0.00 0.00 176.76 177.66 1mx9 n LEU 3304N 0.00 0.98 -3.88 4.37 7.94 0.66 -4.91 117.00 122.15 1mx9 n LEU 3304Ca 0.14 0.00 -0.11 0.00 -1.11 0.00 0.00 56.01 54.93 1mx9 n LEU 3304Cb 0.58 -2.27 -0.12 0.00 0.53 0.00 0.00 43.42 42.15 1mx9 n LEU 3304CO 0.39 -0.88 -0.26 -0.55 -1.11 0.00 0.00 177.39 174.98 1mx9 s SER 3305N -2.00 0.02 -0.10 1.96 0.15 -1.23 -4.25 113.70 108.25 1mx9 s SER 3305Ca 0.00 -0.10 -0.30 0.00 0.70 0.00 0.00 55.95 56.25 1mx9 s SER 3305Cb 0.00 0.17 -0.02 0.00 -1.71 0.00 0.00 66.02 64.47 1mx9 s SER 3305CO 0.00 -0.20 1.07 -0.22 1.20 0.00 0.00 173.24 175.09 1mx9 s LEU 3306N -0.76 4.25 0.11 3.45 2.96 -1.07 -4.72 118.68 122.89 1mx9 s LEU 3306Ca -0.08 1.61 -0.30 0.00 -0.22 0.00 0.00 54.13 55.14 1mx9 s LEU 3306Cb -0.05 -3.56 -0.06 0.00 0.50 0.00 0.00 46.19 43.02 1mx9 s LEU 3306CO 0.00 -0.50 1.09 -0.62 -1.32 0.00 0.00 176.35 175.00 1mx9 s ASP 3307N 1.23 7.26 0.00 3.68 3.68 -1.26 -4.96 116.67 126.30 1mx9 s ASP 3307Ca 0.51 1.97 0.18 0.00 2.13 0.00 0.00 52.55 57.33 1mx9 s ASP 3307Cb -0.20 -2.59 -0.12 0.00 -1.45 0.00 0.00 42.92 38.55 1mx9 s ASP 3307CO 0.19 -0.28 0.81 0.18 0.13 0.00 0.00 175.17 176.20 1mx9 n LEU 3308N 3.08 1.15 -4.27 -1.34 4.77 -1.26 -4.93 117.00 114.20 1mx9 n LEU 3308Ca 0.05 -0.59 -0.24 0.00 -0.03 0.00 0.00 56.01 55.20 1mx9 n LEU 3308Cb 0.47 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.44 1mx9 n LEU 3308CO 0.54 0.25 -0.51 0.00 -1.33 0.00 0.00 177.39 176.33 1mx9 s GLN 3309N -2.45 1.14 0.85 3.23 0.00 -1.26 -5.06 119.66 116.11 1mx9 s GLN 3309Ca 0.10 -1.10 0.00 0.00 -0.00 0.00 0.00 55.36 54.35 1mx9 s GLN 3309Cb 0.14 -1.36 0.00 0.00 0.00 0.00 0.00 33.01 31.79 1mx9 s GLN 3309CO 0.63 0.32 0.00 0.41 0.00 0.00 0.00 175.29 176.65 1mx9 n GLY 3310N 1.24 0.24 3.47 2.60 0.00 -1.26 -4.85 105.19 106.63 1mx9 n GLY 3310Ca -0.19 -1.58 -0.39 0.00 0.00 0.00 0.00 46.02 43.86 1mx9 n GLY 3310CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1mx9 s ASP 3311N -4.00 5.69 0.43 1.61 2.15 -1.26 -4.96 116.67 116.34 1mx9 s ASP 3311Ca 0.00 -0.47 0.25 0.00 0.43 0.00 0.00 52.55 52.76 1mx9 s ASP 3311Cb 0.00 -2.04 1.38 0.00 -0.30 0.00 0.00 42.92 41.96 1mx9 s ASP 3311CO 0.00 -0.20 1.75 -0.65 -0.17 0.00 0.00 175.17 175.91 1mx9 h PRO 3312N 8.39 0.00 0.00 4.34 0.11 -1.88 0.28 132.00 143.24 1mx9 h PRO 3312Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1mx9 h PRO 3312Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1mx9 h PRO 3312CO 0.62 0.00 -0.38 0.54 -0.21 0.00 0.00 178.00 178.56 1mx9 n ARG 3313N -2.45 0.03 0.00 1.05 1.74 -1.26 -3.38 116.66 112.39 1mx9 n ARG 3313Ca -0.02 0.01 0.10 0.00 -0.77 0.00 0.00 57.85 57.18 1mx9 n ARG 3313Cb 0.14 -1.52 -0.05 0.00 -1.02 0.00 0.00 32.46 30.01 1mx9 n ARG 3313CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1mx9 n GLU 3314N -1.57 0.91 -2.68 5.56 1.02 0.08 -4.94 120.64 119.03 1mx9 n GLU 3314Ca 0.06 -0.60 -0.42 0.00 -0.02 0.00 0.00 57.16 56.18 1mx9 n GLU 3314Cb 0.35 -1.45 -0.03 0.00 -0.02 0.00 0.00 31.44 30.28 1mx9 n GLU 3314CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1mx9 s SER 3315N -2.59 7.37 -0.35 1.62 0.15 -1.18 -5.01 113.70 113.70 1mx9 s SER 3315Ca 0.14 1.75 -0.00 0.00 0.70 0.00 0.00 55.95 58.54 1mx9 s SER 3315Cb 0.16 -2.58 0.13 0.00 -1.71 0.00 0.00 66.02 62.03 1mx9 s SER 3315CO 0.66 -0.22 0.20 -1.58 1.20 0.00 0.00 173.24 173.49 1mx9 s GLN 3316N 0.67 0.60 0.00 5.44 2.00 -1.26 -4.72 119.66 122.39 1mx9 s GLN 3316Ca 0.51 -1.32 0.18 0.00 -2.00 0.00 0.00 55.36 52.74 1mx9 s GLN 3316Cb -0.23 -1.43 0.90 0.00 0.80 0.00 0.00 33.01 33.05 1mx9 s GLN 3316CO 0.29 -1.18 1.60 -0.35 -0.50 0.00 0.00 175.29 175.16 1mx9 n PRO 3317N 4.14 1.30 -4.02 1.67 -0.04 -1.26 -4.85 135.00 131.94 1mx9 n PRO 3317Ca 0.09 -0.45 -0.10 0.00 -0.04 0.00 0.00 63.50 63.00 1mx9 n PRO 3317Cb 0.37 -1.32 -0.11 0.00 -0.04 0.00 0.00 33.50 32.41 1mx9 n PRO 3317CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1mx9 s LEU 3318N -1.53 2.28 -0.72 1.53 1.43 -1.26 -0.25 118.68 120.16 1mx9 s LEU 3318Ca 0.28 -0.59 0.03 0.00 -1.03 0.00 0.00 54.13 52.82 1mx9 s LEU 3318Cb 0.14 0.03 0.34 0.00 0.03 0.00 0.00 46.19 46.72 1mx9 s LEU 3318CO 0.22 -0.31 1.27 0.18 0.23 0.00 0.00 176.35 177.93 1mx9 n LEU 3319N 1.32 5.50 0.00 1.79 4.77 -1.26 -5.05 117.00 124.06 1mx9 n LEU 3319Ca -0.22 -5.55 0.00 0.00 -0.03 0.00 0.00 56.01 50.21 1mx9 n LEU 3319Cb 0.56 -0.76 0.00 0.00 -2.33 0.00 0.00 43.42 40.89 1mx9 n LEU 3319CO 0.22 2.24 0.00 0.61 -1.33 0.00 0.00 177.39 179.12 1mx9 n GLY 3320N -0.21 -3.23 3.74 -0.72 0.00 -1.26 -4.62 105.19 98.90 1mx9 n GLY 3320Ca 0.37 -1.23 -0.31 0.00 0.00 0.00 0.00 46.02 44.85 1mx9 n GLY 3320CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mx9 s THR 3321N -0.11 3.04 0.10 2.61 2.01 0.14 -4.76 115.64 118.68 1mx9 s THR 3321Ca 0.00 0.34 -0.07 0.00 0.31 0.00 0.00 61.69 62.27 1mx9 s THR 3321Cb 0.00 -2.79 -0.01 0.00 0.01 0.00 0.00 72.50 69.70 1mx9 s THR 3321CO 0.00 -0.44 0.15 0.68 -0.69 0.00 0.00 174.62 174.32 1mx9 s VAL 3322N -2.89 0.14 -1.18 3.82 -7.23 -1.26 -0.02 120.40 111.77 1mx9 s VAL 3322Ca 0.62 -1.40 -0.17 0.00 -1.81 0.00 0.00 61.98 59.22 1mx9 s VAL 3322Cb -0.18 -1.52 0.11 0.00 0.56 0.00 0.00 36.38 35.35 1mx9 s VAL 3322CO 0.56 -0.64 1.52 -0.63 -0.31 0.00 0.00 175.10 175.61 1mx9 s ILE 3323N -3.91 4.46 0.26 -0.62 -1.09 -1.26 -4.72 121.20 114.31 1mx9 s ILE 3323Ca 0.09 -1.93 0.07 0.00 -2.23 0.00 0.00 60.65 56.65 1mx9 s ILE 3323Cb 0.05 -5.03 -0.03 0.00 -1.58 0.00 0.00 42.46 35.87 1mx9 s ILE 3323CO -0.08 -1.82 1.59 -2.24 -1.23 0.00 0.00 174.94 171.17 1mx9 h ASP 3324N 7.93 0.18 0.00 3.58 3.04 -1.88 -3.48 116.42 125.80 1mx9 h ASP 3324Ca 0.33 -0.10 0.00 0.00 -3.24 0.00 0.00 57.03 54.02 1mx9 h ASP 3324Cb 0.91 -0.05 0.00 0.00 -1.04 0.00 0.00 39.33 39.15 1mx9 h ASP 3324CO 1.34 0.72 0.00 0.61 -2.04 0.00 0.00 179.24 179.88 1mx9 n GLY 3325N 0.20 0.89 1.57 7.15 0.00 -0.30 -4.89 105.19 109.82 1mx9 n GLY 3325Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1mx9 n GLY 3325CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1mx9 n MET 3326N -2.02 0.00 0.04 1.61 2.81 -1.26 -4.82 117.12 113.48 1mx9 n MET 3326Ca 0.00 0.00 -0.22 0.00 -1.81 0.00 0.00 57.70 55.67 1mx9 n MET 3326Cb 0.00 -0.22 -0.14 0.00 -0.71 0.00 0.00 33.22 32.15 1mx9 n MET 3326CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 1mx9 h LEU 3327N 0.00 0.48 -7.73 4.03 5.85 -1.94 -3.43 115.31 112.58 1mx9 h LEU 3327Ca 0.00 -0.89 -0.52 0.00 0.84 0.00 0.00 57.88 57.31 1mx9 h LEU 3327Cb 0.39 -0.16 -0.36 0.00 0.37 0.00 0.00 40.66 40.89 1mx9 h LEU 3327CO 0.00 1.65 -0.80 -0.76 -0.34 0.00 0.00 178.44 178.19 1mx9 s LEU 3328N -7.52 1.23 0.07 2.25 1.43 -1.26 -4.29 118.68 110.59 1mx9 s LEU 3328Ca -0.18 -0.29 0.26 0.00 -1.03 0.00 0.00 54.13 52.89 1mx9 s LEU 3328Cb 0.04 -0.81 0.62 0.00 0.03 0.00 0.00 46.19 46.07 1mx9 s LEU 3328CO 0.81 -0.10 1.52 0.18 0.23 0.00 0.00 176.35 178.99 1mx9 n LEU 3329N 4.77 0.51 -3.81 1.79 4.77 -1.26 -1.15 117.00 122.63 1mx9 n LEU 3329Ca -0.14 0.24 -0.04 0.00 -0.03 0.00 0.00 56.01 56.04 1mx9 n LEU 3329Cb 0.50 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 1mx9 n LEU 3329CO 0.18 0.00 0.75 -1.59 -1.33 0.00 0.00 177.39 175.40 1mx9 s LYS 3330N -3.07 1.29 0.60 3.23 -2.85 -1.26 -4.84 119.74 112.84 1mx9 s LYS 3330Ca 0.10 -0.77 -0.20 0.00 -1.00 0.00 0.00 55.97 54.10 1mx9 s LYS 3330Cb 0.16 0.40 -0.03 0.00 -2.06 0.00 0.00 37.83 36.30 1mx9 s LYS 3330CO 0.66 -0.60 1.32 0.25 0.10 0.00 0.00 175.35 177.09 1mx9 n THR 3331N -0.56 4.43 -0.23 3.79 -2.24 -1.26 -4.75 114.28 113.46 1mx9 n THR 3331Ca -0.05 -0.50 0.03 0.00 -2.27 0.00 0.00 64.05 61.26 1mx9 n THR 3331Cb 0.60 -1.58 0.13 0.00 -2.10 0.00 0.00 70.33 67.38 1mx9 n THR 3331CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1mx9 h PRO 3332N 0.96 0.13 -0.70 -0.78 0.11 -1.98 -0.37 132.00 129.37 1mx9 h PRO 3332Ca -0.51 -0.01 0.14 0.00 0.11 0.00 0.00 66.00 65.74 1mx9 h PRO 3332Cb 1.32 -0.03 -0.10 0.00 0.11 0.00 0.00 31.00 32.30 1mx9 h PRO 3332CO 0.55 0.08 0.18 0.93 -0.21 0.00 0.00 178.00 179.53 1mx9 h GLU 3333N 0.13 0.28 -0.00 1.05 3.07 -1.92 0.04 114.58 117.23 1mx9 h GLU 3333Ca 0.36 -0.02 -0.15 0.00 -0.50 0.00 0.00 59.36 59.05 1mx9 h GLU 3333Cb 0.60 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.43 1mx9 h GLU 3333CO -0.57 0.19 -0.72 0.93 -1.40 0.00 0.00 179.01 177.44 1mx9 h GLU 3334N 0.29 0.01 0.00 2.33 5.08 -1.48 -3.14 114.58 117.67 1mx9 h GLU 3334Ca 0.39 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.73 1mx9 h GLU 3334Cb 0.62 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1mx9 h GLU 3334CO -0.46 0.72 0.00 1.28 -1.00 0.00 0.00 179.01 179.55 1mx9 n LEU 3335N -3.70 0.00 -0.11 1.33 4.77 -0.04 -3.06 117.00 116.19 1mx9 n LEU 3335Ca -0.01 0.34 -0.24 0.00 -0.03 0.00 0.00 56.01 56.07 1mx9 n LEU 3335Cb 0.70 -0.34 -0.11 0.00 -2.33 0.00 0.00 43.42 41.33 1mx9 n LEU 3335CO 0.43 -0.13 -1.12 0.00 -1.33 0.00 0.00 177.39 175.25 1mx9 n GLN 3336N -1.34 0.62 0.00 3.23 6.02 -0.96 -2.84 117.38 122.12 1mx9 n GLN 3336Ca 0.08 0.31 0.04 0.00 -0.01 0.00 0.00 57.00 57.41 1mx9 n GLN 3336Cb 0.16 -1.59 0.18 0.00 1.02 0.00 0.00 30.24 30.01 1mx9 n GLN 3336CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1mx9 n ALA 3337N -3.63 1.49 0.74 -1.58 0.00 -1.19 -1.38 120.51 114.96 1mx9 n ALA 3337Ca -0.44 -0.03 0.08 0.00 0.00 0.00 0.00 53.44 53.05 1mx9 n ALA 3337Cb 0.89 -1.12 0.04 0.00 0.00 0.00 0.00 19.45 19.26 1mx9 n ALA 3337CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1mx9 n GLU 3338N -1.32 1.54 -1.78 0.00 1.02 -1.17 -4.92 120.64 114.01 1mx9 n GLU 3338Ca 0.03 -1.21 -0.19 0.00 -0.02 0.00 0.00 57.16 55.78 1mx9 n GLU 3338Cb 0.06 -1.32 -0.06 0.00 -0.02 0.00 0.00 31.44 30.11 1mx9 n GLU 3338CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1mx9 n ARG 3339N 0.47 -1.52 -1.53 3.49 3.00 -0.48 -4.80 116.66 115.29 1mx9 n ARG 3339Ca 0.09 1.06 -0.40 0.00 -0.01 0.00 0.00 57.85 58.58 1mx9 n ARG 3339Cb 0.40 -5.49 -0.02 0.00 0.00 0.00 0.00 32.46 27.35 1mx9 n ARG 3339CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1mx9 n ASN 3340N -1.37 6.45 0.00 0.55 4.13 -1.13 -4.33 115.26 119.56 1mx9 n ASN 3340Ca -0.20 -2.71 0.00 0.00 1.68 0.00 0.00 54.58 53.35 1mx9 n ASN 3340Cb 0.63 -1.60 0.00 0.00 -1.54 0.00 0.00 39.78 37.27 1mx9 n ASN 3340CO 0.00 0.00 0.00 2.22 0.28 0.00 0.00 177.26 179.76 1mx9 n PHE 3341N 4.72 0.00 -1.70 3.10 -0.00 -1.26 -4.82 117.46 117.50 1mx9 n PHE 3341Ca 0.66 0.00 -0.43 0.00 -0.00 0.00 0.00 57.45 57.67 1mx9 n PHE 3341Cb 0.31 0.00 -0.03 0.00 -0.00 0.00 0.00 39.48 39.75 1mx9 n PHE 3341CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.76 174.37 1mx9 n HIS 3342N 0.00 2.62 -1.27 2.97 1.44 -1.26 -4.85 115.22 114.87 1mx9 n HIS 3342Ca 0.00 0.10 -0.49 0.00 -2.01 0.00 0.00 57.72 55.31 1mx9 n HIS 3342Cb 0.00 -2.64 -0.07 0.00 0.12 0.00 0.00 29.99 27.40 1mx9 n HIS 3342CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 1mx9 n THR 3343N 3.83 0.08 -3.61 0.61 -2.24 -1.26 -5.01 114.28 106.69 1mx9 n THR 3343Ca 0.16 -0.02 -0.14 0.00 -2.27 0.00 0.00 64.05 61.78 1mx9 n THR 3343Cb 0.33 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.49 1mx9 n THR 3343CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1mx9 s VAL 3344N -0.04 0.00 0.46 2.28 -7.23 -1.26 -5.05 120.40 109.56 1mx9 s VAL 3344Ca 0.76 0.00 -0.24 0.00 -1.81 0.00 0.00 61.98 60.69 1mx9 s VAL 3344Cb -1.06 -1.00 -0.09 0.00 0.56 0.00 0.00 36.38 34.79 1mx9 s VAL 3344CO 0.48 0.00 1.11 -2.65 -0.31 0.00 0.00 175.10 173.73 1mx9 n PRO 3345N 2.18 1.49 -3.67 4.82 -0.02 -1.26 -4.61 135.00 133.93 1mx9 n PRO 3345Ca -0.15 0.54 -0.09 0.00 -2.02 0.00 0.00 63.50 61.78 1mx9 n PRO 3345Cb 0.56 -2.21 -0.10 0.00 -0.02 0.00 0.00 33.50 31.73 1mx9 n PRO 3345CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1mx9 s TYR 3346N -1.29 -0.76 -0.21 6.00 6.04 -1.23 -1.65 117.35 124.25 1mx9 s TYR 3346Ca 0.65 1.49 -0.11 0.00 0.04 0.00 0.00 57.07 59.14 1mx9 s TYR 3346Cb -0.51 0.31 -0.05 0.00 -1.04 0.00 0.00 41.96 40.68 1mx9 s TYR 3346CO 0.55 -0.44 0.17 1.41 -1.54 0.00 0.00 175.55 175.69 1mx9 s MET 3347N 2.20 4.16 -0.17 4.97 -2.45 0.12 -2.91 119.30 125.22 1mx9 s MET 3347Ca -0.05 -0.18 0.01 0.00 -1.25 0.00 0.00 55.69 54.22 1mx9 s MET 3347Cb -0.11 -3.46 0.03 0.00 1.25 0.00 0.00 34.83 32.54 1mx9 s MET 3347CO -0.13 0.21 -0.15 0.08 1.05 0.00 0.00 175.02 176.08 1mx9 s VAL 3348N 0.61 1.74 0.28 10.11 1.01 0.80 -0.77 120.40 134.18 1mx9 s VAL 3348Ca 0.09 -0.80 0.02 0.00 0.00 0.00 0.00 61.98 61.29 1mx9 s VAL 3348Cb -0.12 -1.64 -0.06 0.00 0.00 0.00 0.00 36.38 34.56 1mx9 s VAL 3348CO 0.01 0.43 0.08 -0.83 0.00 0.00 0.00 175.10 174.79 1mx9 s GLY 3349N 1.41 1.86 0.27 4.51 0.00 -0.96 -2.50 107.32 111.90 1mx9 s GLY 3349Ca 0.04 -1.93 -0.10 0.00 0.00 0.00 0.00 44.72 42.72 1mx9 s GLY 3349CO -0.11 -1.67 0.47 -0.26 0.00 0.00 0.00 173.10 171.53 1mx9 s ILE 3350N -3.59 0.00 0.21 0.90 -4.36 -0.53 -1.20 121.20 112.62 1mx9 s ILE 3350Ca 0.37 -1.47 0.08 0.00 -0.26 0.00 0.00 60.65 59.38 1mx9 s ILE 3350Cb 0.08 -2.33 -0.04 0.00 1.25 0.00 0.00 42.46 41.42 1mx9 s ILE 3350CO 0.14 0.00 0.00 0.20 0.24 0.00 0.00 174.94 175.52 1mx9 s ASN 3351N -3.07 4.69 0.12 4.36 0.02 -1.26 0.83 114.94 120.63 1mx9 s ASN 3351Ca 0.25 -0.49 -0.33 0.00 -1.02 0.00 0.00 52.86 51.27 1mx9 s ASN 3351Cb -0.00 -0.95 -0.12 0.00 0.02 0.00 0.00 41.25 40.20 1mx9 s ASN 3351CO 0.11 0.05 1.56 0.50 0.02 0.00 0.00 177.10 179.34 1mx9 h LYS 3352N 2.39 -0.53 -3.28 -0.60 1.63 -0.00 -3.30 116.57 112.88 1mx9 h LYS 3352Ca -0.46 0.04 -0.65 0.00 -0.85 0.00 0.00 60.65 58.72 1mx9 h LYS 3352Cb 1.22 0.12 -0.40 0.00 -0.60 0.00 0.00 32.23 32.57 1mx9 h LYS 3352CO 0.58 -0.36 -0.49 -0.65 -3.45 0.00 0.00 179.45 175.09 1mx9 s GLN 3353N -5.72 2.46 0.27 1.90 -0.21 -0.16 -4.94 119.66 113.27 1mx9 s GLN 3353Ca -0.15 -3.01 -0.03 0.00 0.02 0.00 0.00 55.36 52.18 1mx9 s GLN 3353Cb 0.08 -3.52 0.36 0.00 1.00 0.00 0.00 33.01 30.92 1mx9 s GLN 3353CO 0.62 -1.21 1.88 0.93 -2.12 0.00 0.00 175.29 175.38 1mx9 h GLU 3354N 6.04 1.03 -0.70 2.91 4.39 -1.68 -2.42 114.58 124.15 1mx9 h GLU 3354Ca 0.06 -0.14 -0.36 0.00 0.34 0.00 0.00 59.36 59.26 1mx9 h GLU 3354Cb 0.83 -0.19 -0.22 0.00 -0.10 0.00 0.00 28.75 29.07 1mx9 h GLU 3354CO 0.73 0.79 0.31 0.34 -1.16 0.00 0.00 179.01 180.02 1mx9 n PHE 3355N -4.33 2.15 0.27 4.33 -0.00 -1.26 -3.36 117.46 115.25 1mx9 n PHE 3355Ca 0.07 -1.75 -0.14 0.00 -0.00 0.00 0.00 57.45 55.63 1mx9 n PHE 3355Cb 0.13 -0.74 -0.07 0.00 -0.00 0.00 0.00 39.48 38.80 1mx9 n PHE 3355CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.76 177.54 1mx9 h GLY 3356N 1.00 -1.12 0.00 7.13 0.00 -1.78 -3.44 103.07 104.87 1mx9 h GLY 3356Ca 0.45 0.49 0.00 0.00 0.00 0.00 0.00 47.33 48.27 1mx9 h GLY 3356CO 0.78 -0.36 0.00 1.87 0.00 0.00 0.00 176.54 178.83 1mx9 n TRP 3357N -4.73 -1.42 -0.25 5.60 -0.00 -1.26 -4.92 117.44 110.46 1mx9 n TRP 3357Ca -0.10 0.22 -0.07 0.00 -0.00 0.00 0.00 57.50 57.55 1mx9 n TRP 3357Cb 0.36 0.81 -0.06 0.00 -0.00 0.00 0.00 31.31 32.42 1mx9 n TRP 3357CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 177.69 177.58 1mx9 n LEU 3358N -2.76 -0.63 0.17 5.87 7.94 -1.26 -0.72 117.00 125.61 1mx9 n LEU 3358Ca 0.00 1.41 -0.14 0.00 -1.11 0.00 0.00 56.01 56.17 1mx9 n LEU 3358Cb 0.00 -0.32 -0.08 0.00 0.53 0.00 0.00 43.42 43.56 1mx9 n LEU 3358CO 0.00 -1.04 0.78 0.40 -1.11 0.00 0.00 177.39 176.42 1mx9 h ILE 3359N 0.00 0.74 -0.14 1.96 2.04 -1.90 -1.46 117.51 118.74 1mx9 h ILE 3359Ca 0.09 -0.02 0.04 0.00 1.00 0.00 0.00 64.86 65.97 1mx9 h ILE 3359Cb 0.24 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 37.07 1mx9 h ILE 3359CO -0.56 0.01 0.11 -0.65 0.00 0.00 0.00 178.15 177.05 1mx9 h PRO 3360N -0.38 0.00 -0.19 2.37 0.11 -1.78 -2.12 132.00 130.01 1mx9 h PRO 3360Ca -0.04 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.89 1mx9 h PRO 3360Cb 0.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.40 1mx9 h PRO 3360CO 0.06 0.00 -0.58 1.98 -0.21 0.00 0.00 178.00 179.25 1mx9 h MET 3361N 0.00 0.74 -1.00 1.05 -1.53 -0.59 -0.90 114.93 112.69 1mx9 h MET 3361Ca 0.07 -0.53 -0.24 0.00 -3.44 0.00 0.00 59.70 55.55 1mx9 h MET 3361Cb 0.28 0.09 -0.14 0.00 -0.55 0.00 0.00 31.60 31.27 1mx9 h MET 3361CO -0.00 1.15 0.31 1.28 0.14 0.00 0.00 176.91 179.79 1mx9 n LEU 3363N -4.08 4.76 0.00 3.39 4.77 -0.58 -3.58 117.00 121.69 1mx9 n LEU 3363Ca -0.06 -2.49 0.00 0.00 -0.03 0.00 0.00 56.01 53.43 1mx9 n LEU 3363Cb 0.64 -0.66 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 1mx9 n LEU 3363CO 0.49 0.76 0.04 0.23 -1.33 0.00 0.00 177.39 177.58 1mx9 n MET 3364N -0.26 0.00 -3.77 3.23 2.81 -1.12 -4.69 117.12 113.31 1mx9 n MET 3364Ca 0.28 -0.08 -0.27 0.00 -1.81 0.00 0.00 57.70 55.82 1mx9 n MET 3364Cb 1.05 -0.26 0.05 0.00 -0.71 0.00 0.00 33.22 33.35 1mx9 n MET 3364CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1mx9 n SER 3365N 0.00 -5.10 -4.71 7.83 7.64 -1.07 -2.61 113.62 115.60 1mx9 n SER 3365Ca 0.00 -0.69 -0.42 0.00 1.01 0.00 0.00 58.87 58.77 1mx9 n SER 3365Cb 0.33 -4.35 -0.03 0.00 -1.01 0.00 0.00 64.21 59.14 1mx9 n SER 3365CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1mx9 s TYR 3366N -3.33 2.85 -0.47 1.43 5.04 -0.37 -4.83 117.35 117.67 1mx9 s TYR 3366Ca 0.58 0.42 0.00 0.00 -2.44 0.00 0.00 57.07 55.63 1mx9 s TYR 3366Cb -0.28 -4.05 0.00 0.00 0.35 0.00 0.00 41.96 37.99 1mx9 s TYR 3366CO 0.79 -3.98 0.21 -2.30 -1.34 0.00 0.00 175.55 168.93 1mx9 n PRO 3367N 4.28 0.28 -3.63 4.97 -0.02 -1.26 -4.76 135.00 134.86 1mx9 n PRO 3367Ca 0.15 0.00 -0.39 0.00 -2.02 0.00 0.00 63.50 61.24 1mx9 n PRO 3367Cb 0.37 -1.26 -0.11 0.00 -0.02 0.00 0.00 33.50 32.48 1mx9 n PRO 3367CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1mx9 s LEU 3368N 0.00 4.36 -0.01 2.45 1.43 -1.26 -4.92 118.68 120.73 1mx9 s LEU 3368Ca 0.00 -0.72 0.23 0.00 -1.03 0.00 0.00 54.13 52.61 1mx9 s LEU 3368Cb 0.00 -2.01 0.39 0.00 0.03 0.00 0.00 46.19 44.60 1mx9 s LEU 3368CO 0.00 -0.27 1.16 -1.54 0.23 0.00 0.00 176.35 175.92 1mx9 n SER 3369N 4.99 0.94 -3.87 2.29 3.41 -1.26 -5.08 113.62 115.03 1mx9 n SER 3369Ca -0.13 -2.07 -0.12 0.00 -0.26 0.00 0.00 58.87 56.29 1mx9 n SER 3369Cb 0.48 -0.30 -0.13 0.00 -0.26 0.00 0.00 64.21 64.00 1mx9 n SER 3369CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1mx9 s GLU 3370N -0.12 0.15 -0.01 4.33 0.41 -1.26 -5.02 118.70 117.18 1mx9 s GLU 3370Ca 0.31 -0.08 0.04 0.00 -0.41 0.00 0.00 54.97 54.83 1mx9 s GLU 3370Cb 0.35 0.06 0.13 0.00 -1.78 0.00 0.00 34.13 32.89 1mx9 s GLU 3370CO -0.15 -0.03 1.05 0.41 -0.49 0.00 0.00 175.26 176.05 1mx9 n GLY 3371N 2.65 -0.04 3.07 -1.39 0.00 -1.26 -4.70 105.19 103.52 1mx9 n GLY 3371Ca -0.15 -0.15 -0.28 0.00 0.00 0.00 0.00 46.02 45.44 1mx9 n GLY 3371CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1mx9 s GLN 3372N -1.74 2.20 -0.06 1.61 -0.21 -1.26 -3.50 119.66 116.69 1mx9 s GLN 3372Ca 0.09 -0.57 -0.03 0.00 0.02 0.00 0.00 55.36 54.88 1mx9 s GLN 3372Cb 0.05 -1.82 0.04 0.00 1.00 0.00 0.00 33.01 32.28 1mx9 s GLN 3372CO 0.06 -0.00 0.11 -1.17 -2.12 0.00 0.00 175.29 172.16 1mx9 s LEU 3373N 0.81 0.05 0.42 2.90 2.96 -0.05 -4.93 118.68 120.85 1mx9 s LEU 3373Ca -0.10 0.21 -0.02 0.00 -0.22 0.00 0.00 54.13 53.99 1mx9 s LEU 3373Cb -0.16 0.07 -0.03 0.00 0.50 0.00 0.00 46.19 46.57 1mx9 s LEU 3373CO 0.01 -0.24 0.67 1.51 -1.32 0.00 0.00 176.35 176.98 1mx9 s ASP 3374N 2.21 6.21 0.44 3.68 -4.77 -1.26 -4.41 116.67 118.76 1mx9 s ASP 3374Ca 0.04 0.64 0.16 0.00 -3.30 0.00 0.00 52.55 50.08 1mx9 s ASP 3374Cb -0.12 -2.06 0.98 0.00 -1.09 0.00 0.00 42.92 40.63 1mx9 s ASP 3374CO -0.04 -0.48 1.95 1.56 0.70 0.00 0.00 175.17 178.86 1mx9 h GLN 3375N 0.47 0.00 -0.03 2.11 4.20 -1.98 -0.12 115.11 119.76 1mx9 h GLN 3375Ca -0.48 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.23 1mx9 h GLN 3375Cb 1.22 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.00 1mx9 h GLN 3375CO 0.61 0.23 0.02 -0.22 -0.67 0.00 0.00 178.83 178.80 1mx9 h LYS 3376N 0.00 0.04 0.00 1.46 3.11 -2.00 -1.57 116.57 117.60 1mx9 h LYS 3376Ca -0.00 -0.00 -0.11 0.00 -2.81 0.00 0.00 60.65 57.72 1mx9 h LYS 3376Cb 0.42 -0.01 -0.02 0.00 -1.00 0.00 0.00 32.23 31.63 1mx9 h LYS 3376CO 0.03 0.04 -0.53 1.15 -2.81 0.00 0.00 179.45 177.33 1mx9 h THR 3377N 0.02 1.32 0.55 1.00 2.02 -1.90 -2.86 112.91 113.06 1mx9 h THR 3377Ca 0.01 -1.86 -0.03 0.00 0.77 0.00 0.00 66.41 65.30 1mx9 h THR 3377Cb 0.01 2.02 0.01 0.00 -1.74 0.00 0.00 68.15 68.45 1mx9 h THR 3377CO -0.00 0.52 -0.27 0.00 0.37 0.00 0.00 175.52 176.14 1mx9 h ALA 3378N 1.47 -0.74 -0.02 6.16 0.00 -0.56 -1.53 119.26 124.03 1mx9 h ALA 3378Ca -0.01 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.75 1mx9 h ALA 3378Cb 0.98 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 1mx9 h ALA 3378CO 0.07 -0.89 -0.08 0.52 0.00 0.00 0.00 179.25 178.87 1mx9 h MET 3379N -0.81 -0.13 -0.87 0.00 2.86 -1.33 -0.11 114.93 114.55 1mx9 h MET 3379Ca -0.08 0.01 0.18 0.00 -2.06 0.00 0.00 59.70 57.75 1mx9 h MET 3379Cb 0.60 0.03 -0.11 0.00 0.06 0.00 0.00 31.60 32.18 1mx9 h MET 3379CO 0.13 -0.08 0.42 0.77 1.06 0.00 0.00 176.91 179.20 1mx9 h SER 3380N -0.13 0.45 0.08 1.22 0.02 -1.43 -1.25 113.55 112.50 1mx9 h SER 3380Ca 0.04 0.12 -0.15 0.00 -0.84 0.00 0.00 61.79 60.95 1mx9 h SER 3380Cb 0.18 0.06 0.02 0.00 0.14 0.00 0.00 62.40 62.80 1mx9 h SER 3380CO -0.10 0.13 -0.65 -0.07 -1.14 0.00 0.00 176.83 175.00 1mx9 h LEU 3381N 0.53 0.44 -2.15 5.07 3.38 -1.04 -3.11 115.31 118.43 1mx9 h LEU 3381Ca 0.50 -0.88 0.07 0.00 0.09 0.00 0.00 57.88 57.66 1mx9 h LEU 3381Cb 0.82 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 1mx9 h LEU 3381CO -0.43 1.28 0.22 0.25 0.09 0.00 0.00 178.44 179.85 1mx9 h LEU 3382N -0.33 0.00 -0.14 1.67 5.85 -0.58 0.19 115.31 121.97 1mx9 h LEU 3382Ca -0.10 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.48 1mx9 h LEU 3382Cb 1.44 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.48 1mx9 h LEU 3382CO 0.12 0.00 -0.44 -0.25 -0.34 0.00 0.00 178.44 177.53 1mx9 h TRP 3383N 0.00 0.72 -0.41 1.25 -0.00 -1.27 -2.94 115.95 113.29 1mx9 h TRP 3383Ca 0.11 -0.29 -0.01 0.00 -0.00 0.00 0.00 58.89 58.70 1mx9 h TRP 3383Cb 0.55 -0.12 -0.02 0.00 -0.00 0.00 0.00 29.16 29.57 1mx9 h TRP 3383CO 0.00 1.05 0.19 0.87 -0.00 0.00 0.00 178.44 180.55 1mx9 h LYS 3384N 0.18 0.57 -0.54 2.65 1.79 -0.66 -0.20 116.57 120.35 1mx9 h LYS 3384Ca -0.01 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.39 1mx9 h LYS 3384Cb 1.06 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 31.60 1mx9 h LYS 3384CO 0.09 0.45 0.00 0.43 -1.08 0.00 0.00 179.45 179.34 1mx9 n SER 3385N -4.40 0.54 -0.13 0.86 7.64 0.08 -4.35 113.62 113.86 1mx9 n SER 3385Ca 0.03 -1.82 -0.08 0.00 1.01 0.00 0.00 58.87 58.02 1mx9 n SER 3385Cb 0.12 -0.27 -0.02 0.00 -1.01 0.00 0.00 64.21 63.03 1mx9 n SER 3385CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 1mx9 h TYR 3386N 0.06 -0.99 -0.75 1.43 3.20 -0.96 0.12 116.97 119.06 1mx9 h TYR 3386Ca 0.00 0.06 0.20 0.00 3.14 0.00 0.00 58.73 62.14 1mx9 h TYR 3386Cb 0.27 0.50 -0.04 0.00 1.54 0.00 0.00 36.73 39.00 1mx9 h TYR 3386CO 0.00 -0.40 0.53 -1.00 -1.64 0.00 0.00 178.16 175.65 1mx9 h PRO 3387N -0.26 0.09 0.10 1.82 0.13 -1.76 2.42 132.00 134.55 1mx9 h PRO 3387Ca 0.17 -0.01 -0.28 0.00 -0.87 0.00 0.00 66.00 65.02 1mx9 h PRO 3387Cb 0.55 -0.02 0.02 0.00 0.13 0.00 0.00 31.00 31.68 1mx9 h PRO 3387CO -0.57 0.06 -1.19 -0.07 -0.23 0.00 0.00 178.00 176.00 1mx9 h LEU 3388N 0.09 0.66 0.00 1.56 3.38 -1.34 -3.40 115.31 116.27 1mx9 h LEU 3388Ca 0.36 -0.62 -0.06 0.00 0.09 0.00 0.00 57.88 57.66 1mx9 h LEU 3388Cb 1.31 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 1mx9 h LEU 3388CO -0.04 1.45 -1.27 1.33 0.09 0.00 0.00 178.44 180.00 1mx9 n VAL 3389N -3.70 0.21 -3.12 1.22 0.24 -0.73 -4.55 118.33 107.89 1mx9 n VAL 3389Ca -0.11 -0.16 -0.14 0.00 -2.04 0.00 0.00 64.34 61.89 1mx9 n VAL 3389Cb 0.97 -0.50 0.07 0.00 -1.47 0.00 0.00 33.84 32.90 1mx9 n VAL 3389CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1mx9 s ILE 3391N -3.34 4.16 0.36 0.00 1.01 -1.26 -5.06 121.20 117.07 1mx9 s ILE 3391Ca 0.27 -0.77 -0.24 0.00 0.00 0.00 0.00 60.65 59.91 1mx9 s ILE 3391Cb -0.04 -3.22 -0.14 0.00 0.01 0.00 0.00 42.46 39.07 1mx9 s ILE 3391CO 0.65 -0.04 0.49 0.00 0.00 0.00 0.00 174.94 176.04 1mx9 n ALA 3392N 4.90 -1.97 0.25 9.38 0.00 -1.26 -4.76 120.51 127.05 1mx9 n ALA 3392Ca -0.13 0.23 0.12 0.00 0.00 0.00 0.00 53.44 53.66 1mx9 n ALA 3392Cb 0.47 -1.70 0.76 0.00 0.00 0.00 0.00 19.45 18.98 1mx9 n ALA 3392CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1mx9 h LYS 3393N 0.86 0.00 -0.00 0.00 3.64 -1.98 -1.38 116.57 117.70 1mx9 h LYS 3393Ca -0.37 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.01 1mx9 h LYS 3393Cb 1.41 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.23 1mx9 h LYS 3393CO 0.53 0.00 -0.00 -0.85 -2.27 0.00 0.00 179.45 176.85 1mx9 n GLU 3394N -4.22 1.07 0.00 1.90 0.28 -1.26 -3.06 120.64 115.35 1mx9 n GLU 3394Ca -0.02 -0.14 0.04 0.00 -0.16 0.00 0.00 57.16 56.89 1mx9 n GLU 3394Cb 0.14 -1.50 -0.03 0.00 1.43 0.00 0.00 31.44 31.48 1mx9 n GLU 3394CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1mx9 n LEU 3395N -0.84 0.68 -0.24 -1.84 4.77 -0.53 -4.66 117.00 114.33 1mx9 n LEU 3395Ca 0.23 -0.59 0.03 0.00 -0.03 0.00 0.00 56.01 55.65 1mx9 n LEU 3395Cb 0.15 0.00 0.16 0.00 -2.33 0.00 0.00 43.42 41.40 1mx9 n LEU 3395CO 0.18 0.15 1.01 0.40 -1.33 0.00 0.00 177.39 177.80 1mx9 h ILE 3396N 0.36 0.71 -0.58 -0.08 1.08 -1.47 -1.79 117.51 115.75 1mx9 h ILE 3396Ca 0.00 -0.16 -0.01 0.00 -0.39 0.00 0.00 64.86 64.31 1mx9 h ILE 3396Cb 0.25 0.22 -0.03 0.00 -3.07 0.00 0.00 36.82 34.19 1mx9 h ILE 3396CO 0.00 0.08 0.33 -0.65 -0.69 0.00 0.00 178.15 177.22 1mx9 h PRO 3397N 0.45 0.80 0.20 2.37 0.11 -1.83 -1.01 132.00 133.10 1mx9 h PRO 3397Ca 0.38 -0.09 -0.01 0.00 0.11 0.00 0.00 66.00 66.39 1mx9 h PRO 3397Cb 0.52 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.48 1mx9 h PRO 3397CO -0.36 0.60 -0.10 0.93 -0.21 0.00 0.00 178.00 178.86 1mx9 h GLU 3398N 0.78 -0.26 -0.34 1.05 5.08 -1.75 -0.65 114.58 118.48 1mx9 h GLU 3398Ca 0.20 0.02 0.08 0.00 -1.00 0.00 0.00 59.36 58.66 1mx9 h GLU 3398Cb 0.02 0.06 -0.08 0.00 0.50 0.00 0.00 28.75 29.25 1mx9 h GLU 3398CO -0.03 -0.12 -0.24 0.00 -1.00 0.00 0.00 179.01 177.61 1mx9 h ALA 3399N 0.44 -0.04 0.89 3.43 0.00 -1.26 -1.41 119.26 121.31 1mx9 h ALA 3399Ca -0.03 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1mx9 h ALA 3399Cb 0.26 0.54 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1mx9 h ALA 3399CO 0.05 -0.63 -0.48 1.15 0.00 0.00 0.00 179.25 179.34 1mx9 h THR 3400N -0.20 0.00 -0.89 0.00 2.02 -1.02 -2.82 112.91 110.00 1mx9 h THR 3400Ca 0.17 0.00 0.19 0.00 0.77 0.00 0.00 66.41 67.54 1mx9 h THR 3400Cb 0.47 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 66.76 1mx9 h THR 3400CO -0.46 0.00 0.45 -0.08 0.37 0.00 0.00 175.52 175.80 1mx9 h GLU 3401N -1.25 0.52 -0.75 6.66 4.57 -0.99 0.98 114.58 124.31 1mx9 h GLU 3401Ca -0.12 -0.03 0.04 0.00 -1.18 0.00 0.00 59.36 58.07 1mx9 h GLU 3401Cb 0.98 -0.12 -0.04 0.00 -0.16 0.00 0.00 28.75 29.41 1mx9 h GLU 3401CO 0.17 0.34 0.50 -0.22 -1.18 0.00 0.00 179.01 178.62 1mx9 h LYS 3402N 0.53 0.86 0.00 1.92 1.63 -1.15 0.25 116.57 120.61 1mx9 h LYS 3402Ca 0.53 -0.05 -0.33 0.00 -0.85 0.00 0.00 60.65 59.95 1mx9 h LYS 3402Cb 0.90 -0.19 -0.06 0.00 -0.60 0.00 0.00 32.23 32.27 1mx9 h LYS 3402CO -0.45 0.57 -2.25 0.66 -3.45 0.00 0.00 179.45 174.53 1mx9 n TYR 3403N -4.46 0.00 0.44 1.91 4.02 -0.29 -4.62 117.16 114.16 1mx9 n TYR 3403Ca 0.10 0.00 0.08 0.00 -0.01 0.00 0.00 57.90 58.07 1mx9 n TYR 3403Cb 0.15 -0.88 0.10 0.00 -0.02 0.00 0.00 39.34 38.69 1mx9 n TYR 3403CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1mx9 n LEU 3404N -2.79 2.51 0.02 7.72 4.77 0.32 -4.32 117.00 125.23 1mx9 n LEU 3404Ca -0.32 -1.23 0.12 0.00 -0.03 0.00 0.00 56.01 54.56 1mx9 n LEU 3404Cb 1.05 -0.07 0.24 0.00 -2.33 0.00 0.00 43.42 42.30 1mx9 n LEU 3404CO 0.34 0.50 0.43 0.61 -1.33 0.00 0.00 177.39 177.95 1mx9 n GLY 3405N 0.87 -1.32 0.41 -0.72 0.00 0.87 -4.34 105.19 100.97 1mx9 n GLY 3405Ca 0.11 -0.30 -0.15 0.00 0.00 0.00 0.00 46.02 45.67 1mx9 n GLY 3405CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1mx9 h GLY 3406N 4.82 -1.16 -1.49 -0.02 0.00 -1.75 -3.45 103.07 100.02 1mx9 h GLY 3406Ca 0.00 0.52 -0.55 0.00 0.00 0.00 0.00 47.33 47.30 1mx9 h GLY 3406CO 0.00 -0.36 -0.31 -0.51 0.00 0.00 0.00 176.54 175.36 1mx9 s THR 3407N -5.29 2.00 -0.35 4.70 -4.23 -1.26 -5.03 115.64 106.18 1mx9 s THR 3407Ca -0.15 -1.40 0.12 0.00 -1.18 0.00 0.00 61.69 59.08 1mx9 s THR 3407Cb 0.03 -2.41 -0.15 0.00 1.34 0.00 0.00 72.50 71.31 1mx9 s THR 3407CO 0.48 0.00 0.41 0.47 -0.54 0.00 0.00 174.62 175.45 1mx9 n ASP 3408N -1.74 1.19 -4.55 3.99 8.00 -1.26 -4.91 116.55 117.27 1mx9 n ASP 3408Ca 0.02 -0.48 -0.38 0.00 0.71 0.00 0.00 54.79 54.66 1mx9 n ASP 3408Cb 0.63 1.22 -0.03 0.00 -0.02 0.00 0.00 41.12 42.92 1mx9 n ASP 3408CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1mx9 s ASP 3409N -2.62 5.25 0.45 -2.24 2.15 -1.26 -4.84 116.67 113.56 1mx9 s ASP 3409Ca 0.01 0.32 0.23 0.00 0.43 0.00 0.00 52.55 53.54 1mx9 s ASP 3409Cb 0.09 -2.53 1.26 0.00 -0.30 0.00 0.00 42.92 41.44 1mx9 s ASP 3409CO 0.50 -2.40 1.67 0.71 -0.17 0.00 0.00 175.17 175.48 1mx9 h THR 3410N 6.91 0.00 0.00 1.71 1.35 -1.91 -0.86 112.91 120.11 1mx9 h THR 3410Ca -0.25 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.60 1mx9 h THR 3410Cb 1.16 0.52 0.00 0.00 -1.73 0.00 0.00 68.15 68.10 1mx9 h THR 3410CO 1.22 0.00 -0.04 0.58 -0.25 0.00 0.00 175.52 177.03 1mx9 h VAL 3411N 0.00 1.69 0.00 6.82 2.07 -1.88 -0.07 116.25 124.88 1mx9 h VAL 3411Ca 0.00 -2.08 0.00 0.00 0.82 0.00 0.00 66.70 65.44 1mx9 h VAL 3411Cb 0.41 3.10 0.00 0.00 -1.52 0.00 0.00 31.29 33.28 1mx9 h VAL 3411CO 0.00 0.54 0.00 0.50 0.02 0.00 0.00 177.57 178.63 1mx9 h LYS 3412N -0.84 0.00 -0.11 1.57 3.64 -1.48 -2.48 116.57 116.87 1mx9 h LYS 3412Ca -0.01 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.22 1mx9 h LYS 3412Cb 0.91 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.72 1mx9 h LYS 3412CO 0.01 0.00 -0.60 0.87 -2.27 0.00 0.00 179.45 177.46 1mx9 h LYS 3413N 0.00 0.36 0.00 1.90 1.57 -1.20 -0.54 116.57 118.66 1mx9 h LYS 3413Ca 0.00 -0.24 -0.14 0.00 -1.87 0.00 0.00 60.65 58.40 1mx9 h LYS 3413Cb 0.43 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.76 1mx9 h LYS 3413CO 0.00 0.85 -0.69 1.57 -0.57 0.00 0.00 179.45 180.61 1mx9 h LYS 3414N 0.27 0.00 -0.16 3.15 5.09 -1.34 -2.69 116.57 120.89 1mx9 h LYS 3414Ca -0.00 0.00 -0.17 0.00 0.09 0.00 0.00 60.65 60.57 1mx9 h LYS 3414Cb 1.12 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 33.45 1mx9 h LYS 3414CO 0.10 0.65 -0.60 -0.44 -2.09 0.00 0.00 179.45 177.07 1mx9 h ASP 3415N 0.00 0.59 1.32 7.07 3.45 -1.15 -3.09 116.42 124.61 1mx9 h ASP 3415Ca -0.01 -0.33 -0.13 0.00 0.43 0.00 0.00 57.03 56.99 1mx9 h ASP 3415Cb 1.51 -0.17 -0.02 0.00 -0.56 0.00 0.00 39.33 40.10 1mx9 h ASP 3415CO 0.08 1.05 -0.62 -0.07 -1.57 0.00 0.00 179.24 178.12 1mx9 h LEU 3416N 0.39 0.00 -1.80 1.55 3.38 -1.13 -3.07 115.31 114.63 1mx9 h LEU 3416Ca -0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1mx9 h LEU 3416Cb 1.15 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.89 1mx9 h LEU 3416CO 0.11 0.62 -0.15 0.15 0.09 0.00 0.00 178.44 179.25 1mx9 h PHE 3417N 0.00 0.00 0.02 1.13 3.57 -1.40 -1.26 116.94 119.00 1mx9 h PHE 3417Ca -0.01 0.00 -0.26 0.00 3.53 0.00 0.00 57.97 61.23 1mx9 h PHE 3417Cb 1.44 0.00 0.02 0.00 2.79 0.00 0.00 35.95 40.20 1mx9 h PHE 3417CO 0.00 0.15 -1.06 -0.07 -2.23 0.00 0.00 178.31 175.10 1mx9 h LEU 3418N 0.00 0.83 -1.46 0.59 3.38 -1.50 -2.91 115.31 114.25 1mx9 h LEU 3418Ca -0.00 -0.68 -0.03 0.00 0.09 0.00 0.00 57.88 57.25 1mx9 h LEU 3418Cb 0.33 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1mx9 h LEU 3418CO 0.02 1.49 0.00 0.44 0.09 0.00 0.00 178.44 180.48 1mx9 h ASP 3419N 0.34 0.32 0.39 -0.43 3.32 -1.34 -1.41 116.42 117.62 1mx9 h ASP 3419Ca -0.13 -0.05 -0.02 0.00 0.02 0.00 0.00 57.03 56.86 1mx9 h ASP 3419Cb 1.71 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 41.18 1mx9 h ASP 3419CO 0.20 0.38 -0.20 0.25 -1.72 0.00 0.00 179.24 178.15 1mx9 h LEU 3420N 0.35 -0.49 -0.58 1.55 5.85 -1.16 0.34 115.31 121.18 1mx9 h LEU 3420Ca 0.08 0.02 0.11 0.00 0.84 0.00 0.00 57.88 58.94 1mx9 h LEU 3420Cb 0.23 0.13 -0.11 0.00 0.37 0.00 0.00 40.66 41.28 1mx9 h LEU 3420CO 0.00 -0.33 -0.18 0.40 -0.34 0.00 0.00 178.44 178.00 1mx9 h ILE 3421N -0.54 0.37 -0.78 4.05 2.04 -1.34 0.17 117.51 121.48 1mx9 h ILE 3421Ca -0.05 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.86 1mx9 h ILE 3421Cb 0.42 0.37 -0.05 0.00 -0.74 0.00 0.00 36.82 36.82 1mx9 h ILE 3421CO 0.08 0.00 0.51 0.00 0.00 0.00 0.00 178.15 178.74 1mx9 h ALA 3422N 1.48 1.60 -0.38 1.87 0.00 -1.18 -0.95 119.26 121.70 1mx9 h ALA 3422Ca 0.27 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 55.04 1mx9 h ALA 3422Cb 0.46 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1mx9 h ALA 3422CO -0.61 0.29 -0.21 -0.44 0.00 0.00 0.00 179.25 178.28 1mx9 h ASP 3423N 0.88 0.84 0.36 0.00 3.32 0.11 -1.07 116.42 120.86 1mx9 h ASP 3423Ca 0.33 -0.42 -0.11 0.00 0.02 0.00 0.00 57.03 56.85 1mx9 h ASP 3423Cb 0.17 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 1mx9 h ASP 3423CO -0.11 1.07 -0.46 0.58 -1.72 0.00 0.00 179.24 178.61 1mx9 h VAL 3424N 0.61 1.33 0.09 -1.35 2.07 -0.89 0.26 116.25 118.38 1mx9 h VAL 3424Ca 0.08 -1.61 -0.32 0.00 0.82 0.00 0.00 66.70 65.67 1mx9 h VAL 3424Cb 0.77 1.80 -0.02 0.00 -1.52 0.00 0.00 31.29 32.33 1mx9 h VAL 3424CO 0.06 0.47 -1.68 0.24 0.02 0.00 0.00 177.57 176.69 1mx9 h MET 3425N 0.10 0.20 0.00 1.57 2.86 -1.11 -3.42 114.93 115.13 1mx9 h MET 3425Ca 0.01 -0.33 0.00 0.00 -2.06 0.00 0.00 59.70 57.31 1mx9 h MET 3425Cb 0.85 0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.64 1mx9 h MET 3425CO 0.07 1.00 -0.52 1.19 1.06 0.00 0.00 176.91 179.70 1mx9 n PHE 3426N -3.37 0.00 0.00 -0.22 3.01 -0.44 -4.51 117.46 111.94 1mx9 n PHE 3426Ca -0.20 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.26 1mx9 n PHE 3426Cb 1.04 0.21 0.00 0.00 -0.01 0.00 0.00 39.48 40.72 1mx9 n PHE 3426CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1mx9 n GLY 3427N 2.32 -3.21 0.39 1.37 0.00 -1.03 -0.23 105.19 104.80 1mx9 n GLY 3427Ca 0.00 0.33 -0.09 0.00 0.00 0.00 0.00 46.02 46.26 1mx9 n GLY 3427CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1mx9 h VAL 3428N 0.00 0.10 -0.80 1.61 2.07 -0.77 -0.70 116.25 117.77 1mx9 h VAL 3428Ca 0.00 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.61 1mx9 h VAL 3428Cb 0.00 0.10 -0.07 0.00 -1.52 0.00 0.00 31.29 29.80 1mx9 h VAL 3428CO 0.00 0.00 0.45 -0.65 0.02 0.00 0.00 177.57 177.39 1mx9 h PRO 3429N -0.25 0.74 0.39 1.57 0.11 -1.72 -1.57 132.00 131.26 1mx9 h PRO 3429Ca 0.17 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.22 1mx9 h PRO 3429Cb 0.57 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.52 1mx9 h PRO 3429CO -0.65 0.49 -0.19 0.77 -0.21 0.00 0.00 178.00 178.21 1mx9 h SER 3430N 0.76 -0.45 -0.99 -2.05 0.02 0.77 -2.27 113.55 109.35 1mx9 h SER 3430Ca 0.39 -0.06 0.14 0.00 -0.84 0.00 0.00 61.79 61.42 1mx9 h SER 3430Cb 0.36 0.12 -0.09 0.00 0.14 0.00 0.00 62.40 62.93 1mx9 h SER 3430CO -0.25 -0.21 0.61 0.58 -1.14 0.00 0.00 176.83 176.42 1mx9 h VAL 3431N -0.67 0.84 0.75 2.27 2.07 -0.98 -0.40 116.25 120.13 1mx9 h VAL 3431Ca -0.05 -0.31 -0.03 0.00 0.82 0.00 0.00 66.70 67.13 1mx9 h VAL 3431Cb 0.48 -0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 30.12 1mx9 h VAL 3431CO 0.09 0.16 -0.43 0.40 0.02 0.00 0.00 177.57 177.81 1mx9 h ILE 3432N 0.89 0.12 -0.23 4.57 2.04 -1.11 0.12 117.51 123.91 1mx9 h ILE 3432Ca 0.52 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.43 1mx9 h ILE 3432Cb 0.62 0.12 -0.06 0.00 -0.74 0.00 0.00 36.82 36.75 1mx9 h ILE 3432CO -0.31 0.00 -0.20 0.58 0.00 0.00 0.00 178.15 178.23 1mx9 h VAL 3433N -1.11 0.48 -0.70 1.67 2.07 -0.78 0.14 116.25 118.03 1mx9 h VAL 3433Ca -0.10 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.56 1mx9 h VAL 3433Cb 0.88 0.48 -0.10 0.00 -1.52 0.00 0.00 31.29 31.03 1mx9 h VAL 3433CO 0.12 0.00 0.18 0.00 0.02 0.00 0.00 177.57 177.89 1mx9 h ALA 3434N 0.90 0.89 0.15 1.67 0.00 -1.00 -1.17 119.26 120.69 1mx9 h ALA 3434Ca 0.13 0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 1mx9 h ALA 3434Cb 0.40 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 1mx9 h ALA 3434CO -0.35 -0.31 -0.13 0.00 0.00 0.00 0.00 179.25 178.46 1mx9 h ARG 3435N 0.29 -0.27 -0.36 0.00 3.08 0.13 -1.75 114.38 115.50 1mx9 h ARG 3435Ca 0.38 0.02 0.10 0.00 0.07 0.00 0.00 59.98 60.56 1mx9 h ARG 3435Cb 0.62 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.72 1mx9 h ARG 3435CO -0.46 -0.18 0.51 -0.91 -1.07 0.00 0.00 179.97 177.85 1mx9 h ASN 3436N -0.28 0.00 -0.19 7.04 4.21 -0.83 0.39 115.58 125.92 1mx9 h ASN 3436Ca -0.02 0.00 -0.19 0.00 1.21 0.00 0.00 56.30 57.30 1mx9 h ASN 3436Cb 0.24 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 37.44 1mx9 h ASN 3436CO -0.01 0.00 -0.63 -0.74 -1.29 0.00 0.00 177.43 174.76 1mx9 h HIS 3437N 0.00 1.00 -0.66 1.19 2.76 -0.72 -2.82 115.15 115.90 1mx9 h HIS 3437Ca 0.17 -0.41 -0.04 0.00 -2.20 0.00 0.00 60.37 57.89 1mx9 h HIS 3437Cb 1.18 -0.17 -0.03 0.00 1.55 0.00 0.00 27.41 29.95 1mx9 h HIS 3437CO 0.00 1.23 0.26 -0.09 -1.30 0.00 0.00 177.93 178.03 1mx9 h ARG 3438N 0.48 0.98 0.00 5.26 2.43 0.60 -2.40 114.38 121.73 1mx9 h ARG 3438Ca -0.03 -0.18 0.00 0.00 -0.81 0.00 0.00 59.98 58.96 1mx9 h ARG 3438Cb 1.26 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.65 1mx9 h ARG 3438CO 0.13 0.82 0.00 -0.25 -1.51 0.00 0.00 179.97 179.17 1mx9 n ASP 3439N -4.41 0.10 -1.40 -3.80 9.92 -0.60 -1.80 116.55 114.56 1mx9 n ASP 3439Ca 0.05 0.52 0.07 0.00 -0.53 0.00 0.00 54.79 54.90 1mx9 n ASP 3439Cb 0.17 -0.55 0.30 0.00 -0.64 0.00 0.00 41.12 40.41 1mx9 n ASP 3439CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1mx9 n ALA 3440N -1.54 3.09 -1.92 2.24 0.00 -0.92 -4.91 120.51 116.56 1mx9 n ALA 3440Ca 0.03 -1.33 -0.16 0.00 0.00 0.00 0.00 53.44 51.98 1mx9 n ALA 3440Cb 0.19 -1.04 -0.04 0.00 0.00 0.00 0.00 19.45 18.56 1mx9 n ALA 3440CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mx9 n GLY 3441N 0.93 0.61 3.54 0.00 0.00 -0.75 -4.79 105.19 104.74 1mx9 n GLY 3441Ca 0.21 -0.21 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1mx9 n GLY 3441CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mx9 s ALA 3442N -2.72 2.86 0.59 4.61 0.00 -1.15 -4.98 121.76 120.97 1mx9 s ALA 3442Ca 0.00 -0.92 -0.19 0.00 0.00 0.00 0.00 51.96 50.85 1mx9 s ALA 3442Cb 0.00 -1.13 -0.05 0.00 0.00 0.00 0.00 23.12 21.94 1mx9 s ALA 3442CO 0.00 0.56 0.91 -2.30 0.00 0.00 0.00 175.76 174.94 1mx9 n PRO 3443N 2.26 0.86 -3.80 0.00 -0.02 -1.26 -4.06 135.00 128.98 1mx9 n PRO 3443Ca -0.18 0.33 -0.12 0.00 -2.02 0.00 0.00 63.50 61.51 1mx9 n PRO 3443Cb 0.53 -2.11 -0.10 0.00 -0.02 0.00 0.00 33.50 31.80 1mx9 n PRO 3443CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1mx9 s THR 3444N -1.53 0.06 -0.10 3.45 2.01 -1.26 -3.57 115.64 114.69 1mx9 s THR 3444Ca 0.74 -0.47 -0.04 0.00 0.31 0.00 0.00 61.69 62.23 1mx9 s THR 3444Cb -0.42 -0.51 0.05 0.00 0.01 0.00 0.00 72.50 71.63 1mx9 s THR 3444CO 0.48 -0.26 0.23 -0.31 -0.69 0.00 0.00 174.62 174.07 1mx9 s TYR 3445N -1.10 -0.32 0.34 4.92 2.02 -1.15 -1.19 117.35 120.88 1mx9 s TYR 3445Ca -0.12 0.78 0.08 0.00 -0.37 0.00 0.00 57.07 57.45 1mx9 s TYR 3445Cb -0.06 -0.05 -0.04 0.00 -0.40 0.00 0.00 41.96 41.41 1mx9 s TYR 3445CO 0.03 -0.27 0.12 -1.64 -1.57 0.00 0.00 175.55 172.21 1mx9 s MET 3446N 1.81 2.33 0.04 -0.62 -1.94 -1.25 -0.14 119.30 119.53 1mx9 s MET 3446Ca -0.04 -1.57 -0.27 0.00 -1.71 0.00 0.00 55.69 52.10 1mx9 s MET 3446Cb -0.11 -2.14 0.08 0.00 2.01 0.00 0.00 34.83 34.67 1mx9 s MET 3446CO -0.08 0.12 0.70 1.52 -0.01 0.00 0.00 175.02 177.27 1mx9 s TYR 3447N -2.44 -0.54 -0.21 -0.03 -0.00 -1.04 -2.82 117.35 110.27 1mx9 s TYR 3447Ca 0.37 0.60 -0.02 0.00 -0.00 0.00 0.00 57.07 58.02 1mx9 s TYR 3447Cb -0.02 0.50 0.06 0.00 -0.00 0.00 0.00 41.96 42.50 1mx9 s TYR 3447CO 0.22 -0.69 0.02 -2.00 -0.00 0.00 0.00 175.55 173.10 1mx9 s GLU 3448N -2.60 0.88 0.09 -3.49 2.12 -1.16 -1.46 118.70 113.09 1mx9 s GLU 3448Ca -0.03 -0.59 -0.30 0.00 0.36 0.00 0.00 54.97 54.41 1mx9 s GLU 3448Cb -0.01 -2.22 -0.06 0.00 0.26 0.00 0.00 34.13 32.11 1mx9 s GLU 3448CO -0.04 -0.65 1.11 0.12 -0.54 0.00 0.00 175.26 175.26 1mx9 s PHE 3449N 1.74 3.55 -0.34 5.30 5.36 0.24 -2.48 117.98 131.35 1mx9 s PHE 3449Ca -0.02 1.51 0.01 0.00 -0.96 0.00 0.00 56.93 57.47 1mx9 s PHE 3449Cb -0.18 -3.29 0.14 0.00 -0.34 0.00 0.00 43.02 39.36 1mx9 s PHE 3449CO -0.09 -0.72 0.30 -1.14 -1.46 0.00 0.00 175.22 172.11 1mx9 s GLN 3450N 0.51 0.52 0.00 10.12 0.74 0.07 0.43 119.66 132.07 1mx9 s GLN 3450Ca 0.54 -0.84 -0.28 0.00 0.05 0.00 0.00 55.36 54.82 1mx9 s GLN 3450Cb -0.27 -0.91 0.10 0.00 1.10 0.00 0.00 33.01 33.03 1mx9 s GLN 3450CO 0.31 -1.16 0.88 -0.47 -0.55 0.00 0.00 175.29 174.30 1mx9 s TYR 3451N 1.54 -0.35 -0.26 1.67 5.04 -1.26 -4.23 117.35 119.50 1mx9 s TYR 3451Ca 0.15 0.21 0.02 0.00 -2.44 0.00 0.00 57.07 55.00 1mx9 s TYR 3451Cb -0.17 0.54 0.07 0.00 0.35 0.00 0.00 41.96 42.75 1mx9 s TYR 3451CO -0.10 -0.56 -0.03 0.50 -1.34 0.00 0.00 175.55 174.02 1mx9 s ARG 3452N -3.14 1.62 0.45 4.97 3.52 -1.26 -0.19 118.95 124.91 1mx9 s ARG 3452Ca 0.05 -1.22 -0.24 0.00 -0.13 0.00 0.00 55.73 54.20 1mx9 s ARG 3452Cb -0.01 -2.69 -0.08 0.00 -1.56 0.00 0.00 34.95 30.61 1mx9 s ARG 3452CO -0.09 -0.69 1.19 -1.25 -0.81 0.00 0.00 175.30 173.65 1mx9 s PRO 3453N 1.28 3.79 0.01 5.12 0.04 -1.26 -4.89 135.00 139.08 1mx9 s PRO 3453Ca -0.02 1.85 0.11 0.00 0.04 0.00 0.00 61.00 62.97 1mx9 s PRO 3453Cb -0.19 -2.48 0.46 0.00 0.04 0.00 0.00 34.50 32.33 1mx9 s PRO 3453CO -0.08 -0.54 1.34 -1.13 0.04 0.00 0.00 177.00 176.63 1mx9 n SER 3454N -0.36 0.02 -0.05 6.66 3.41 -1.26 -1.85 113.62 120.19 1mx9 n SER 3454Ca 0.07 0.51 0.13 0.00 -0.26 0.00 0.00 58.87 59.31 1mx9 n SER 3454Cb 0.47 -0.51 0.49 0.00 -0.26 0.00 0.00 64.21 64.41 1mx9 n SER 3454CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1mx9 n PHE 3455N -1.52 0.00 -0.63 7.33 0.99 -1.26 -4.93 117.46 117.44 1mx9 n PHE 3455Ca 0.02 0.00 -0.31 0.00 -0.00 0.00 0.00 57.45 57.16 1mx9 n PHE 3455Cb 0.12 -0.30 0.19 0.00 -1.00 0.00 0.00 39.48 38.49 1mx9 n PHE 3455CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 1mx9 n SER 3456N -1.29 -2.22 -4.80 4.37 7.64 -0.77 -4.96 113.62 111.59 1mx9 n SER 3456Ca 0.09 -0.12 -0.34 0.00 1.01 0.00 0.00 58.87 59.51 1mx9 n SER 3456Cb 0.32 -1.04 -0.03 0.00 -1.01 0.00 0.00 64.21 62.45 1mx9 n SER 3456CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1mx9 s SER 3457N -1.98 6.24 0.28 6.43 0.15 -1.26 -4.96 113.70 118.60 1mx9 s SER 3457Ca 0.59 1.94 0.07 0.00 0.70 0.00 0.00 55.95 59.25 1mx9 s SER 3457Cb -0.15 -2.56 0.40 0.00 -1.71 0.00 0.00 66.02 62.00 1mx9 s SER 3457CO 0.66 -0.85 1.66 0.44 1.20 0.00 0.00 173.24 176.34 1mx9 h ASP 3458N 1.43 0.22 0.00 5.45 3.32 -1.99 -2.49 116.42 122.37 1mx9 h ASP 3458Ca -0.49 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.45 1mx9 h ASP 3458Cb 1.22 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.71 1mx9 h ASP 3458CO 0.59 0.67 0.00 0.23 -1.72 0.00 0.00 179.24 179.01 1mx9 n MET 3459N -3.97 0.82 -3.94 3.56 2.81 -1.26 -4.75 117.12 110.39 1mx9 n MET 3459Ca -0.02 0.00 -0.35 0.00 -1.81 0.00 0.00 57.70 55.52 1mx9 n MET 3459Cb 0.53 -1.20 -0.09 0.00 -0.71 0.00 0.00 33.22 31.75 1mx9 n MET 3459CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 1mx9 s LYS 3460N -2.00 3.95 0.58 0.03 2.20 -0.94 -5.09 119.74 118.47 1mx9 s LYS 3460Ca 0.16 -0.30 -0.20 0.00 -0.36 0.00 0.00 55.97 55.26 1mx9 s LYS 3460Cb 0.07 -3.24 -0.04 0.00 -1.51 0.00 0.00 37.83 33.11 1mx9 s LYS 3460CO 0.12 0.34 1.31 -2.14 -0.36 0.00 0.00 175.35 174.62 1mx9 s PRO 3461N 0.20 2.96 0.39 4.03 0.02 -1.26 -4.90 135.00 136.44 1mx9 s PRO 3461Ca 0.06 2.11 0.27 0.00 0.02 0.00 0.00 61.00 63.46 1mx9 s PRO 3461Cb -0.12 -2.09 0.94 0.00 0.02 0.00 0.00 34.50 33.25 1mx9 s PRO 3461CO -0.00 -1.30 1.79 0.87 -0.33 0.00 0.00 177.00 178.04 1mx9 h LYS 3462N 1.12 0.00 -0.01 5.54 1.79 -1.96 -3.00 116.57 120.05 1mx9 h LYS 3462Ca -0.51 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 57.96 1mx9 h LYS 3462Cb 1.31 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.96 1mx9 h LYS 3462CO 0.56 0.00 0.00 0.25 -1.08 0.00 0.00 179.45 179.18 1mx9 n THR 3463N -2.73 0.01 -3.64 -0.16 -2.24 -1.26 -4.70 114.28 99.57 1mx9 n THR 3463Ca 0.03 -0.03 -0.39 0.00 -2.27 0.00 0.00 64.05 61.39 1mx9 n THR 3463Cb 0.36 -0.34 -0.11 0.00 -2.10 0.00 0.00 70.33 68.14 1mx9 n THR 3463CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1mx9 s VAL 3464N -1.99 4.54 -0.09 2.28 1.01 -1.14 -5.07 120.40 119.94 1mx9 s VAL 3464Ca 0.39 -0.65 0.03 0.00 0.00 0.00 0.00 61.98 61.76 1mx9 s VAL 3464Cb 0.18 -3.42 0.01 0.00 0.00 0.00 0.00 36.38 33.15 1mx9 s VAL 3464CO 0.31 -0.07 -0.19 -0.63 0.00 0.00 0.00 175.10 174.51 1mx9 s ILE 3465N 1.58 1.69 -0.14 2.22 1.01 -1.26 -4.72 121.20 121.57 1mx9 s ILE 3465Ca 0.03 -0.80 -0.01 0.00 0.00 0.00 0.00 60.65 59.87 1mx9 s ILE 3465Cb -0.18 -1.48 0.00 0.00 0.01 0.00 0.00 42.46 40.81 1mx9 s ILE 3465CO 0.06 0.48 0.12 0.61 0.00 0.00 0.00 174.94 176.21 1mx9 n GLY 3466N 3.67 0.77 3.58 6.18 0.00 0.73 -3.66 105.19 116.46 1mx9 n GLY 3466Ca -0.20 -0.57 -0.29 0.00 0.00 0.00 0.00 46.02 44.96 1mx9 n GLY 3466CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1mx9 s ASP 3467N -3.04 1.42 -0.07 1.61 -1.08 -1.22 -0.98 116.67 113.30 1mx9 s ASP 3467Ca 0.06 1.07 -0.29 0.00 -0.52 0.00 0.00 52.55 52.86 1mx9 s ASP 3467Cb -0.02 -1.64 -0.06 0.00 -1.46 0.00 0.00 42.92 39.73 1mx9 s ASP 3467CO 0.08 -3.86 1.89 -2.28 0.52 0.00 0.00 175.17 171.51 1mx9 s HIS 3468N -2.80 1.54 0.00 -5.34 5.65 -1.18 -2.47 115.29 110.69 1mx9 s HIS 3468Ca 0.68 0.03 0.00 0.00 0.25 0.00 0.00 55.06 56.02 1mx9 s HIS 3468Cb -0.17 -4.07 0.00 0.00 -1.18 0.00 0.00 32.58 27.15 1mx9 s HIS 3468CO 0.59 -4.49 0.00 0.41 -0.65 0.00 0.00 174.74 170.60 1mx9 n GLY 3469N 4.71 0.51 0.25 1.59 0.00 -1.26 -4.89 105.19 106.10 1mx9 n GLY 3469Ca 0.21 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.26 1mx9 n GLY 3469CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1mx9 h ASP 3470N 0.00 0.25 0.68 1.61 5.19 -1.82 -2.59 116.42 119.74 1mx9 h ASP 3470Ca 0.00 -0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.37 1mx9 h ASP 3470Cb 0.00 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 39.45 1mx9 h ASP 3470CO 0.00 0.35 0.00 -1.84 -3.12 0.00 0.00 179.24 174.63 1mx9 n GLU 3471N -4.32 0.17 -0.21 3.56 0.00 -1.26 -3.52 120.64 115.06 1mx9 n GLU 3471Ca -0.00 0.41 -0.07 0.00 0.00 0.00 0.00 57.16 57.49 1mx9 n GLU 3471Cb 0.22 -1.83 0.03 0.00 0.00 0.00 0.00 31.44 29.87 1mx9 n GLU 3471CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 1mx9 h LEU 3472N 0.00 0.79 -1.37 -1.84 3.38 -1.86 -1.09 115.31 113.32 1mx9 h LEU 3472Ca 0.00 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 1mx9 h LEU 3472Cb 0.34 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1mx9 h LEU 3472CO 0.00 0.73 0.16 -0.26 0.09 0.00 0.00 178.44 179.16 1mx9 h PHE 3473N 0.80 0.58 0.06 1.13 -1.00 -1.77 -1.69 116.94 115.06 1mx9 h PHE 3473Ca 0.20 -0.02 -0.00 0.00 2.81 0.00 0.00 57.97 60.95 1mx9 h PHE 3473Cb 0.17 -0.18 0.00 0.00 3.61 0.00 0.00 35.95 39.55 1mx9 h PHE 3473CO 0.01 0.46 -0.03 0.77 -1.61 0.00 0.00 178.31 177.91 1mx9 h SER 3474N 0.58 -0.07 -1.76 2.17 0.02 -1.68 0.65 113.55 113.47 1mx9 h SER 3474Ca 0.14 0.00 0.52 0.00 -0.84 0.00 0.00 61.79 61.61 1mx9 h SER 3474Cb 0.13 0.02 -0.08 0.00 0.14 0.00 0.00 62.40 62.61 1mx9 h SER 3474CO -0.01 -0.01 1.25 0.58 -1.14 0.00 0.00 176.83 177.50 1mx9 h VAL 3475N -0.16 0.09 -0.53 2.27 2.07 -1.17 0.30 116.25 119.13 1mx9 h VAL 3475Ca -0.01 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.51 1mx9 h VAL 3475Cb 0.06 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 29.92 1mx9 h VAL 3475CO 0.01 0.00 0.00 0.49 0.02 0.00 0.00 177.57 178.10 1mx9 n PHE 3476N -4.08 0.71 -3.21 1.57 3.01 -0.64 -4.69 117.46 110.13 1mx9 n PHE 3476Ca 0.40 -0.48 -0.16 0.00 1.01 0.00 0.00 57.45 58.23 1mx9 n PHE 3476Cb 1.81 -0.01 0.07 0.00 -0.01 0.00 0.00 39.48 41.33 1mx9 n PHE 3476CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1mx9 n GLY 3477N 1.12 -0.20 0.25 1.37 0.00 0.11 -4.24 105.19 103.60 1mx9 n GLY 3477Ca 0.18 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.28 1mx9 n GLY 3477CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mx9 h ALA 3478N 0.74 1.93 0.00 4.61 0.00 0.10 -1.83 119.26 124.81 1mx9 h ALA 3478Ca -0.45 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1mx9 h ALA 3478Cb 1.27 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1mx9 h ALA 3478CO 0.41 0.06 0.00 -2.30 0.00 0.00 0.00 179.25 177.41 1mx9 n PRO 3479N -4.49 0.11 0.00 0.00 -0.02 -1.26 0.48 135.00 129.81 1mx9 n PRO 3479Ca -0.03 0.20 0.05 0.00 -2.02 0.00 0.00 63.50 61.71 1mx9 n PRO 3479Cb 0.12 -1.50 -0.04 0.00 -0.02 0.00 0.00 33.50 32.06 1mx9 n PRO 3479CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1mx9 n PHE 3480N -1.39 0.00 -0.02 6.00 3.01 -0.69 -4.57 117.46 119.80 1mx9 n PHE 3480Ca 0.05 0.00 -0.03 0.00 1.01 0.00 0.00 57.45 58.48 1mx9 n PHE 3480Cb 0.14 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.58 1mx9 n PHE 3480CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1mx9 n LEU 3481N -0.84 1.12 -4.89 4.37 4.77 -1.08 -4.98 117.00 115.48 1mx9 n LEU 3481Ca 0.03 -0.01 -0.33 0.00 -0.03 0.00 0.00 56.01 55.67 1mx9 n LEU 3481Cb 0.20 -0.01 -0.05 0.00 -2.33 0.00 0.00 43.42 41.23 1mx9 n LEU 3481CO 0.19 0.29 -0.17 -0.54 -1.33 0.00 0.00 177.39 175.83 1mx9 s LYS 3482N -2.11 3.37 0.41 3.23 1.02 0.18 -4.27 119.74 121.56 1mx9 s LYS 3482Ca -0.04 -0.39 -0.02 0.00 0.02 0.00 0.00 55.97 55.54 1mx9 s LYS 3482Cb 0.02 -3.04 -0.03 0.00 -0.52 0.00 0.00 37.83 34.26 1mx9 s LYS 3482CO 0.17 0.65 0.65 -1.21 -0.92 0.00 0.00 175.35 174.68 1mx9 s GLU 3483N -2.08 3.48 0.00 1.68 2.02 -1.26 -4.42 118.70 118.11 1mx9 s GLU 3483Ca 0.29 -0.14 0.00 0.00 0.02 0.00 0.00 54.97 55.14 1mx9 s GLU 3483Cb -0.13 -2.55 0.00 0.00 0.10 0.00 0.00 34.13 31.56 1mx9 s GLU 3483CO 0.21 -0.02 0.00 0.41 0.02 0.00 0.00 175.26 175.88 1mx9 n GLY 3484N -1.99 0.82 3.75 -1.39 0.00 -1.26 -5.02 105.19 100.10 1mx9 n GLY 3484Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 1mx9 n GLY 3484CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mx9 s ALA 3485N -3.17 3.54 0.78 4.61 0.00 -1.26 -5.01 121.76 121.25 1mx9 s ALA 3485Ca 0.00 1.18 -0.10 0.00 0.00 0.00 0.00 51.96 53.04 1mx9 s ALA 3485Cb 0.00 -3.49 0.09 0.00 0.00 0.00 0.00 23.12 19.72 1mx9 s ALA 3485CO 0.00 -0.59 1.13 -1.54 0.00 0.00 0.00 175.76 174.76 1mx9 s SER 3486N 0.11 4.48 0.10 0.00 1.04 -1.26 -4.84 113.70 113.33 1mx9 s SER 3486Ca 0.55 0.59 -0.19 0.00 0.48 0.00 0.00 55.95 57.38 1mx9 s SER 3486Cb -0.38 -1.10 -0.07 0.00 0.10 0.00 0.00 66.02 64.57 1mx9 s SER 3486CO 0.43 -1.87 1.64 -0.33 0.98 0.00 0.00 173.24 174.08 1mx9 h GLU 3487N -0.94 0.37 -0.39 4.02 4.39 -1.98 0.18 114.58 120.23 1mx9 h GLU 3487Ca -0.45 -0.07 0.08 0.00 0.34 0.00 0.00 59.36 59.26 1mx9 h GLU 3487Cb 1.32 -0.06 -0.08 0.00 -0.10 0.00 0.00 28.75 29.83 1mx9 h GLU 3487CO 0.61 0.42 -0.11 1.49 -1.16 0.00 0.00 179.01 180.25 1mx9 h GLU 3488N 0.24 -0.02 -0.44 2.33 4.81 -1.99 0.33 114.58 119.85 1mx9 h GLU 3488Ca 0.08 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.17 1mx9 h GLU 3488Cb 0.19 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 1mx9 h GLU 3488CO -0.01 -0.01 -0.28 1.49 -0.73 0.00 0.00 179.01 179.47 1mx9 h GLU 3489N -0.02 0.94 0.63 1.92 4.81 -1.90 -1.96 114.58 119.00 1mx9 h GLU 3489Ca 0.19 -0.43 -0.03 0.00 -0.13 0.00 0.00 59.36 58.96 1mx9 h GLU 3489Cb 0.31 -0.02 0.01 0.00 0.63 0.00 0.00 28.75 29.68 1mx9 h GLU 3489CO -0.42 1.09 -0.30 0.82 -0.73 0.00 0.00 179.01 179.47 1mx9 h ILE 3490N 0.80 0.34 -0.65 2.32 2.04 0.12 -1.39 117.51 121.08 1mx9 h ILE 3490Ca 0.09 -0.15 0.13 0.00 1.00 0.00 0.00 64.86 65.94 1mx9 h ILE 3490Cb 0.85 0.39 -0.12 0.00 -0.74 0.00 0.00 36.82 37.20 1mx9 h ILE 3490CO 0.08 0.02 -0.12 -0.09 0.00 0.00 0.00 178.15 178.04 1mx9 h ARG 3491N -0.95 0.03 -0.03 2.37 2.43 -0.39 0.11 114.38 117.96 1mx9 h ARG 3491Ca -0.09 -0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.12 1mx9 h ARG 3491Cb 0.68 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 30.17 1mx9 h ARG 3491CO 0.14 0.02 -0.32 1.25 -1.51 0.00 0.00 179.97 179.54 1mx9 h LEU 3492N 0.03 -0.98 -1.51 3.80 5.85 -1.20 0.12 115.31 121.42 1mx9 h LEU 3492Ca 0.32 0.13 0.09 0.00 0.84 0.00 0.00 57.88 59.26 1mx9 h LEU 3492Cb 0.51 0.40 -0.04 0.00 0.37 0.00 0.00 40.66 41.90 1mx9 h LEU 3492CO -0.65 -0.38 0.44 -1.28 -0.34 0.00 0.00 178.44 176.24 1mx9 h SER 3493N -0.46 0.50 -0.23 1.25 0.87 -0.08 0.20 113.55 115.60 1mx9 h SER 3493Ca 0.07 0.01 -0.07 0.00 -1.23 0.00 0.00 61.79 60.57 1mx9 h SER 3493Cb 0.56 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.42 1mx9 h SER 3493CO -0.28 0.31 -0.13 0.11 -0.53 0.00 0.00 176.83 176.30 1mx9 h LYS 3494N 0.56 0.50 -0.05 2.24 1.57 0.08 -1.85 116.57 119.62 1mx9 h LYS 3494Ca 0.30 -0.22 -0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1mx9 h LYS 3494Cb 0.45 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.75 1mx9 h LYS 3494CO -0.10 0.78 0.03 1.98 -0.57 0.00 0.00 179.45 181.57 1mx9 h MET 3495N 0.21 0.07 0.02 3.15 4.05 0.54 -2.74 114.93 120.23 1mx9 h MET 3495Ca 0.05 -0.01 0.03 0.00 -0.28 0.00 0.00 59.70 59.49 1mx9 h MET 3495Cb 0.63 -0.02 -0.04 0.00 -0.80 0.00 0.00 31.60 31.38 1mx9 h MET 3495CO 0.04 0.08 -0.25 0.28 0.23 0.00 0.00 176.91 177.29 1mx9 h VAL 3496N 0.04 0.44 -0.15 -5.77 2.07 -0.59 -1.83 116.25 110.47 1mx9 h VAL 3496Ca 0.02 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.58 1mx9 h VAL 3496Cb 0.03 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 1mx9 h VAL 3496CO -0.00 0.00 0.11 0.24 0.02 0.00 0.00 177.57 177.94 1mx9 h MET 3497N -0.39 0.00 0.56 1.57 2.86 -1.34 -2.30 114.93 115.89 1mx9 h MET 3497Ca 0.06 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.67 1mx9 h MET 3497Cb 0.47 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.13 1mx9 h MET 3497CO -0.21 0.00 -0.27 0.87 1.06 0.00 0.00 176.91 178.36 1mx9 h LYS 3498N 0.00 -0.72 0.02 1.72 1.79 -1.03 -1.77 116.57 116.58 1mx9 h LYS 3498Ca 0.07 0.05 0.03 0.00 -2.18 0.00 0.00 60.65 58.61 1mx9 h LYS 3498Cb 0.29 0.16 -0.05 0.00 -1.58 0.00 0.00 32.23 31.05 1mx9 h LYS 3498CO -0.00 -0.43 -0.47 0.74 -1.08 0.00 0.00 179.45 178.21 1mx9 h PHE 3499N -0.88 -1.35 -0.40 -1.35 0.05 -1.05 0.49 116.94 112.45 1mx9 h PHE 3499Ca -0.08 0.04 0.08 0.00 3.82 0.00 0.00 57.97 61.84 1mx9 h PHE 3499Cb 0.62 0.59 -0.08 0.00 2.00 0.00 0.00 35.95 39.08 1mx9 h PHE 3499CO -0.01 -0.54 -0.13 -1.49 -0.18 0.00 0.00 178.31 175.96 1mx9 h TRP 3500N -0.63 -0.30 -0.47 -0.55 -0.00 -1.46 0.66 115.95 113.19 1mx9 h TRP 3500Ca 0.03 0.04 -0.07 0.00 -0.00 0.00 0.00 58.89 58.89 1mx9 h TRP 3500Cb 0.69 0.20 -0.02 0.00 -0.00 0.00 0.00 29.16 30.03 1mx9 h TRP 3500CO -0.46 -0.21 -0.00 0.00 -0.00 0.00 0.00 178.44 177.77 1mx9 h ALA 3501N 1.32 1.12 -0.32 1.49 0.00 -0.99 0.26 119.26 122.12 1mx9 h ALA 3501Ca 0.19 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1mx9 h ALA 3501Cb 0.34 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1mx9 h ALA 3501CO -0.43 0.56 0.06 -0.91 0.00 0.00 0.00 179.25 178.53 1mx9 h ASN 3502N 0.72 0.51 -0.77 0.00 2.35 0.13 -1.20 115.58 117.32 1mx9 h ASN 3502Ca 0.14 -0.26 0.01 0.00 -0.55 0.00 0.00 56.30 55.64 1mx9 h ASN 3502Cb 0.45 -0.13 -0.04 0.00 0.05 0.00 0.00 38.32 38.65 1mx9 h ASN 3502CO 0.02 0.64 0.51 0.15 -1.65 0.00 0.00 177.43 177.09 1mx9 h PHE 3503N 0.36 0.97 -0.65 1.19 3.57 0.65 0.12 116.94 123.15 1mx9 h PHE 3503Ca 0.10 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.67 1mx9 h PHE 3503Cb 0.34 -0.33 -0.04 0.00 2.79 0.00 0.00 35.95 38.72 1mx9 h PHE 3503CO 0.02 0.61 0.43 0.00 -2.23 0.00 0.00 178.31 177.14 1mx9 h ALA 3504N 1.28 1.71 0.00 2.41 0.00 0.07 0.26 119.26 124.99 1mx9 h ALA 3504Ca 0.28 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.99 1mx9 h ALA 3504Cb -0.12 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.45 1mx9 h ALA 3504CO -0.06 0.21 -1.93 2.89 0.00 0.00 0.00 179.25 180.36 1mx9 n ARG 3505N -4.47 0.66 -0.01 0.00 1.85 -0.51 -4.71 116.66 109.48 1mx9 n ARG 3505Ca 0.09 -0.00 -0.00 0.00 -1.00 0.00 0.00 57.85 56.93 1mx9 n ARG 3505Cb 0.18 -1.61 -0.01 0.00 -1.05 0.00 0.00 32.46 29.96 1mx9 n ARG 3505CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 1mx9 n ASN 3506N -2.62 4.58 0.00 2.89 3.02 0.36 -5.01 115.26 118.47 1mx9 n ASN 3506Ca -0.15 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.40 1mx9 n ASN 3506Cb 0.85 0.73 0.00 0.00 -0.61 0.00 0.00 39.78 40.74 1mx9 n ASN 3506CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1mx9 n GLY 3507N 2.72 0.67 3.32 7.41 0.00 0.92 -5.02 105.19 115.20 1mx9 n GLY 3507Ca -0.02 -0.57 -0.04 0.00 0.00 0.00 0.00 46.02 45.39 1mx9 n GLY 3507CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1mx9 s ASN 3508N -2.52 -0.69 0.46 1.61 2.47 -1.26 -4.90 114.94 110.11 1mx9 s ASN 3508Ca 0.00 1.05 0.31 0.00 0.42 0.00 0.00 52.86 54.64 1mx9 s ASN 3508Cb 0.00 1.79 1.67 0.00 -1.45 0.00 0.00 41.25 43.25 1mx9 s ASN 3508CO 0.00 -0.24 1.94 1.55 -3.72 0.00 0.00 177.10 176.63 1mx9 h PRO 3509N 8.08 0.00 -7.10 0.43 0.13 -1.83 -3.31 132.00 128.40 1mx9 h PRO 3509Ca -0.18 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.43 1mx9 h PRO 3509Cb 1.12 0.00 0.09 0.00 0.13 0.00 0.00 31.00 32.34 1mx9 h PRO 3509CO 0.16 0.00 0.44 -0.80 -0.23 0.00 0.00 178.00 177.57 1mx9 s ASN 3510N -4.47 5.46 -0.10 1.44 0.01 -1.26 -4.41 114.94 111.61 1mx9 s ASN 3510Ca -0.03 2.23 -0.31 0.00 -0.71 0.00 0.00 52.86 54.04 1mx9 s ASN 3510Cb 0.09 -2.58 0.10 0.00 0.41 0.00 0.00 41.25 39.27 1mx9 s ASN 3510CO 0.28 -1.40 1.38 -0.83 -1.51 0.00 0.00 177.10 175.02 1mx9 s GLY 3511N -1.80 -0.23 0.19 0.66 0.00 -1.26 -4.96 107.32 99.91 1mx9 s GLY 3511Ca 0.74 0.21 -0.30 0.00 0.00 0.00 0.00 44.72 45.36 1mx9 s GLY 3511CO 0.31 6.62 1.32 -0.54 0.00 0.00 0.00 173.10 180.81 1mx9 s GLU 3512N -2.00 4.38 0.00 2.90 8.01 -1.26 -3.00 118.70 127.72 1mx9 s GLU 3512Ca 0.32 2.06 0.00 0.00 0.01 0.00 0.00 54.97 57.36 1mx9 s GLU 3512Cb 0.00 -3.20 0.00 0.00 -4.31 0.00 0.00 34.13 26.63 1mx9 s GLU 3512CO -0.03 -0.28 0.00 0.41 0.01 0.00 0.00 175.26 175.37 1mx9 n GLY 3513N 2.47 1.30 3.43 -1.39 0.00 -1.26 -5.04 105.19 104.71 1mx9 n GLY 3513Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 1mx9 n GLY 3513CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1mx9 s LEU 3514N 0.00 2.55 0.71 0.99 1.43 -1.16 -5.09 118.68 118.11 1mx9 s LEU 3514Ca 0.00 -0.28 -0.16 0.00 -1.03 0.00 0.00 54.13 52.66 1mx9 s LEU 3514Cb 0.00 -1.50 -0.02 0.00 0.03 0.00 0.00 46.19 44.70 1mx9 s LEU 3514CO 0.00 0.33 0.80 -0.81 0.23 0.00 0.00 176.35 176.90 1mx9 n PRO 3515N 2.41 0.46 -2.25 1.29 -0.04 -1.26 -4.67 135.00 130.93 1mx9 n PRO 3515Ca -0.17 0.20 -0.42 0.00 -0.04 0.00 0.00 63.50 63.07 1mx9 n PRO 3515Cb 0.52 -2.06 -0.03 0.00 -0.04 0.00 0.00 33.50 31.89 1mx9 n PRO 3515CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1mx9 s HIS 3516N -1.83 3.27 -0.42 0.54 2.46 -1.26 -4.86 115.29 113.19 1mx9 s HIS 3516Ca 0.71 1.05 -0.09 0.00 0.47 0.00 0.00 55.06 57.19 1mx9 s HIS 3516Cb -0.35 -3.60 0.08 0.00 -0.13 0.00 0.00 32.58 28.57 1mx9 s HIS 3516CO 0.53 -2.04 0.26 -0.46 -2.47 0.00 0.00 174.74 170.55 1mx9 s TRP 3517N 1.21 3.33 0.29 3.88 -0.11 -1.26 -4.57 118.94 121.71 1mx9 s TRP 3517Ca 0.63 -1.50 -0.29 0.00 1.22 0.00 0.00 56.10 56.16 1mx9 s TRP 3517Cb -0.34 -2.92 -0.10 0.00 -1.50 0.00 0.00 33.47 28.61 1mx9 s TRP 3517CO 0.29 -0.84 1.24 -1.25 -4.62 0.00 0.00 176.95 171.78 1mx9 s PRO 3518N 1.43 4.45 0.80 5.86 0.04 -1.26 -4.85 135.00 141.47 1mx9 s PRO 3518Ca 0.03 2.06 -0.12 0.00 0.04 0.00 0.00 61.00 63.01 1mx9 s PRO 3518Cb -0.23 -3.13 0.08 0.00 0.04 0.00 0.00 34.50 31.26 1mx9 s PRO 3518CO 0.02 -0.08 1.16 -2.00 0.04 0.00 0.00 177.00 176.14 1mx9 s GLU 3519N -1.39 1.77 -1.42 4.56 2.12 -1.26 -4.35 118.70 118.73 1mx9 s GLU 3519Ca 0.49 1.55 -0.08 0.00 0.36 0.00 0.00 54.97 57.29 1mx9 s GLU 3519Cb -0.37 -1.81 0.05 0.00 0.26 0.00 0.00 34.13 32.26 1mx9 s GLU 3519CO 0.47 -2.07 2.52 0.98 -0.54 0.00 0.00 175.26 176.62 1mx9 n TYR 3520N -3.42 2.61 0.00 5.30 9.36 -0.33 -3.64 117.16 127.03 1mx9 n TYR 3520Ca 0.12 -2.91 0.00 0.00 3.32 0.00 0.00 57.90 58.42 1mx9 n TYR 3520Cb 0.52 -2.09 0.00 0.00 -0.63 0.00 0.00 39.34 37.14 1mx9 n TYR 3520CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 1mx9 n ASN 3521N 2.68 0.00 0.30 2.98 0.23 -1.26 -4.70 115.26 115.49 1mx9 n ASN 3521Ca 0.65 0.00 0.18 0.00 -0.53 0.00 0.00 54.58 54.89 1mx9 n ASN 3521Cb 0.26 0.00 0.93 0.00 -2.08 0.00 0.00 39.78 38.88 1mx9 n ASN 3521CO 0.00 0.00 0.00 1.56 -0.93 0.00 0.00 177.26 177.89 1mx9 h GLN 3522N 0.00 0.00 0.00 -3.83 1.08 -1.98 -0.99 115.11 109.38 1mx9 h GLN 3522Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1mx9 h GLN 3522Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 1mx9 h GLN 3522CO 0.00 0.03 0.00 1.63 -0.95 0.00 0.00 178.83 179.54 1mx9 n LYS 3523N -3.29 0.18 -3.59 1.46 5.02 -1.26 -4.92 118.16 111.76 1mx9 n LYS 3523Ca -0.02 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 56.04 1mx9 n LYS 3523Cb 0.18 -1.50 0.08 0.00 -0.02 0.00 0.00 35.03 33.77 1mx9 n LYS 3523CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1mx9 n GLU 3524N -1.41 -7.62 -2.58 1.97 1.02 -0.38 -3.81 120.64 107.83 1mx9 n GLU 3524Ca 0.10 0.82 -0.42 0.00 -0.02 0.00 0.00 57.16 57.64 1mx9 n GLU 3524Cb 0.30 -5.86 -0.03 0.00 -0.02 0.00 0.00 31.44 25.83 1mx9 n GLU 3524CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1mx9 s GLY 3525N -3.50 2.55 0.07 0.62 0.00 -1.24 -1.98 107.32 103.84 1mx9 s GLY 3525Ca 0.49 0.62 0.02 0.00 0.00 0.00 0.00 44.72 45.85 1mx9 s GLY 3525CO 0.74 1.91 -0.07 -2.52 0.00 0.00 0.00 173.10 173.15 1mx9 s TYR 3526N 1.38 0.80 -0.11 1.90 -0.85 -0.98 -3.62 117.35 115.87 1mx9 s TYR 3526Ca 0.54 -0.69 -0.18 0.00 -0.52 0.00 0.00 57.07 56.22 1mx9 s TYR 3526Cb -0.24 -0.47 -0.04 0.00 0.38 0.00 0.00 41.96 41.59 1mx9 s TYR 3526CO 0.26 -0.11 0.46 -1.17 -1.52 0.00 0.00 175.55 173.47 1mx9 s LEU 3527N -2.28 4.29 -0.22 -3.49 2.96 -1.13 -1.07 118.68 117.74 1mx9 s LEU 3527Ca 0.01 0.81 -0.18 0.00 -0.22 0.00 0.00 54.13 54.54 1mx9 s LEU 3527Cb -0.03 -2.67 -0.03 0.00 0.50 0.00 0.00 46.19 43.97 1mx9 s LEU 3527CO -0.02 0.03 0.53 -1.10 -1.32 0.00 0.00 176.35 174.47 1mx9 s GLN 3528N 0.48 4.15 -0.15 1.98 -0.21 -0.77 -2.97 119.66 122.17 1mx9 s GLN 3528Ca 0.25 0.40 -0.04 0.00 0.02 0.00 0.00 55.36 56.00 1mx9 s GLN 3528Cb -0.15 -3.60 -0.03 0.00 1.00 0.00 0.00 33.01 30.23 1mx9 s GLN 3528CO 0.10 -0.24 -0.03 0.42 -2.12 0.00 0.00 175.29 173.42 1mx9 s ILE 3529N 1.93 3.93 -1.33 1.08 1.01 -1.03 -2.79 121.20 123.99 1mx9 s ILE 3529Ca 0.23 -0.35 0.00 0.00 0.00 0.00 0.00 60.65 60.54 1mx9 s ILE 3529Cb -0.15 -2.72 0.00 0.00 0.01 0.00 0.00 42.46 39.59 1mx9 s ILE 3529CO 0.09 0.50 0.00 0.61 0.00 0.00 0.00 174.94 176.14 1mx9 n GLY 3530N 3.49 -0.64 0.37 6.18 0.00 -1.26 -0.75 105.19 112.59 1mx9 n GLY 3530Ca -0.17 -0.56 -0.13 0.00 0.00 0.00 0.00 46.02 45.16 1mx9 n GLY 3530CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mx9 h ALA 3531N 0.00 -0.91 -3.04 4.61 0.00 -1.96 -3.36 119.26 114.59 1mx9 h ALA 3531Ca 0.00 -0.09 -0.59 0.00 0.00 0.00 0.00 54.91 54.23 1mx9 h ALA 3531Cb 0.00 0.79 -0.11 0.00 0.00 0.00 0.00 17.79 18.48 1mx9 h ALA 3531CO 0.00 -1.01 -0.30 -0.80 0.00 0.00 0.00 179.25 177.14 1mx9 s ASN 3532N -4.13 6.42 -0.21 0.00 -0.87 -1.26 -5.04 114.94 109.85 1mx9 s ASN 3532Ca -0.13 0.50 -0.01 0.00 -1.57 0.00 0.00 52.86 51.65 1mx9 s ASN 3532Cb 0.05 -2.19 0.02 0.00 -0.02 0.00 0.00 41.25 39.10 1mx9 s ASN 3532CO 0.47 0.05 -0.12 -0.89 -2.57 0.00 0.00 177.10 174.04 1mx9 s THR 3533N 0.70 2.59 -0.05 1.60 2.01 -1.26 -4.75 115.64 116.49 1mx9 s THR 3533Ca 0.17 -0.91 -0.17 0.00 0.31 0.00 0.00 61.69 61.09 1mx9 s THR 3533Cb -0.13 -2.21 0.03 0.00 0.01 0.00 0.00 72.50 70.20 1mx9 s THR 3533CO 0.05 0.38 0.38 0.00 -0.69 0.00 0.00 174.62 174.74 1mx9 s GLN 3534N 1.33 0.67 0.16 4.92 1.03 -1.12 -4.96 119.66 121.69 1mx9 s GLN 3534Ca 0.03 0.06 -0.02 0.00 0.04 0.00 0.00 55.36 55.46 1mx9 s GLN 3534Cb -0.15 0.31 0.04 0.00 0.03 0.00 0.00 33.01 33.24 1mx9 s GLN 3534CO -0.08 -0.17 0.09 0.00 -2.54 0.00 0.00 175.29 172.59 1mx9 n ALA 3535N 1.62 -0.53 0.00 2.60 0.00 -1.26 -1.84 120.51 121.09 1mx9 n ALA 3535Ca -0.19 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.09 1mx9 n ALA 3535Cb 0.56 -0.01 0.00 0.00 0.00 0.00 0.00 19.45 20.00 1mx9 n ALA 3535CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1mx9 n ALA 3536N -2.84 0.00 -3.34 0.00 0.00 -0.23 -4.53 120.51 109.57 1mx9 n ALA 3536Ca -0.02 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.33 1mx9 n ALA 3536Cb 0.06 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.47 1mx9 n ALA 3536CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1mx9 s GLN 3537N -0.22 1.56 -1.24 0.00 -0.21 -1.26 -2.31 119.66 115.98 1mx9 s GLN 3537Ca 0.00 -1.12 -0.23 0.00 0.02 0.00 0.00 55.36 54.03 1mx9 s GLN 3537Cb 0.00 0.51 0.02 0.00 1.00 0.00 0.00 33.01 34.53 1mx9 s GLN 3537CO 0.00 -0.66 0.63 1.63 -2.12 0.00 0.00 175.29 174.77 1mx9 n LYS 3538N -0.39 -0.98 -2.01 2.91 5.02 -0.84 -4.87 118.16 117.01 1mx9 n LYS 3538Ca -0.04 0.24 -0.42 0.00 -2.02 0.00 0.00 58.31 56.07 1mx9 n LYS 3538Cb 0.61 -3.40 -0.03 0.00 -0.02 0.00 0.00 35.03 32.20 1mx9 n LYS 3538CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1mx9 s LEU 3539N -7.06 4.35 -1.04 -0.35 2.96 -1.26 -2.51 118.68 113.77 1mx9 s LEU 3539Ca 0.39 2.40 0.00 0.00 -0.22 0.00 0.00 54.13 56.70 1mx9 s LEU 3539Cb -0.18 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 42.94 1mx9 s LEU 3539CO 0.93 -0.83 0.00 0.29 -1.32 0.00 0.00 176.35 175.41 1mx9 n LYS 3540N 5.34 -1.44 -0.29 1.98 4.76 -1.26 -4.78 118.16 122.48 1mx9 n LYS 3540Ca 0.15 0.65 0.12 0.00 -2.87 0.00 0.00 58.31 56.35 1mx9 n LYS 3540Cb 0.41 -4.76 0.36 0.00 -1.84 0.00 0.00 35.03 29.20 1mx9 n LYS 3540CO 0.00 0.00 0.00 0.22 -1.37 0.00 0.00 177.40 176.25 1mx9 h ASP 3541N 0.00 0.69 0.14 4.39 -0.00 -1.86 0.15 116.42 119.93 1mx9 h ASP 3541Ca -0.20 0.05 -0.01 0.00 -0.00 0.00 0.00 57.03 56.87 1mx9 h ASP 3541Cb 0.77 -0.09 0.00 0.00 -0.00 0.00 0.00 39.33 40.01 1mx9 h ASP 3541CO 0.29 0.34 -0.07 0.11 -0.00 0.00 0.00 179.24 179.92 1mx9 h LYS 3542N 0.73 -0.19 -0.31 0.28 1.79 -1.86 -3.12 116.57 113.88 1mx9 h LYS 3542Ca 0.47 0.01 0.07 0.00 -2.18 0.00 0.00 60.65 59.02 1mx9 h LYS 3542Cb 0.72 0.04 -0.08 0.00 -1.58 0.00 0.00 32.23 31.33 1mx9 h LYS 3542CO -0.23 0.26 -0.27 0.93 -1.08 0.00 0.00 179.45 179.06 1mx9 h GLU 3543N -0.85 -0.24 -0.27 3.15 3.07 -1.79 -2.45 114.58 115.21 1mx9 h GLU 3543Ca -0.02 0.02 0.06 0.00 -0.50 0.00 0.00 59.36 58.92 1mx9 h GLU 3543Cb 0.53 0.05 -0.08 0.00 -0.84 0.00 0.00 28.75 28.42 1mx9 h GLU 3543CO 0.03 -0.16 -0.28 0.28 -1.40 0.00 0.00 179.01 177.48 1mx9 h VAL 3544N -0.24 0.32 -0.83 3.13 2.07 -0.84 -2.33 116.25 117.52 1mx9 h VAL 3544Ca 0.16 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.83 1mx9 h VAL 3544Cb 0.49 0.32 -0.10 0.00 -1.52 0.00 0.00 31.29 30.48 1mx9 h VAL 3544CO -0.45 0.00 0.40 0.00 0.02 0.00 0.00 177.57 177.53 1mx9 h ALA 3545N 0.71 1.24 -0.46 1.67 0.00 -1.38 0.24 119.26 121.29 1mx9 h ALA 3545Ca 0.14 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1mx9 h ALA 3545Cb 0.50 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1mx9 h ALA 3545CO -0.43 -0.15 0.30 0.35 0.00 0.00 0.00 179.25 179.32 1mx9 h PHE 3546N 0.55 0.58 -0.13 0.00 3.57 -1.20 -2.47 116.94 117.84 1mx9 h PHE 3546Ca 0.46 0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.84 1mx9 h PHE 3546Cb 0.70 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.25 1mx9 h PHE 3546CO -0.12 0.37 -0.45 -1.49 -2.23 0.00 0.00 178.31 174.40 1mx9 h TRP 3547N 0.62 0.71 -0.80 0.41 4.06 -1.22 -0.58 115.95 119.15 1mx9 h TRP 3547Ca 0.17 -0.29 0.18 0.00 2.06 0.00 0.00 58.89 61.00 1mx9 h TRP 3547Cb -0.06 -0.12 -0.11 0.00 -1.00 0.00 0.00 29.16 27.87 1mx9 h TRP 3547CO -0.04 1.06 0.27 1.15 -3.56 0.00 0.00 178.44 177.32 1mx9 h THR 3548N 0.16 0.52 0.21 1.49 2.02 -0.87 -0.31 112.91 116.14 1mx9 h THR 3548Ca -0.02 -0.12 -0.01 0.00 0.77 0.00 0.00 66.41 67.03 1mx9 h THR 3548Cb 1.08 0.15 0.00 0.00 -1.74 0.00 0.00 68.15 67.64 1mx9 h THR 3548CO 0.10 0.06 -0.10 -1.13 0.37 0.00 0.00 175.52 174.82 1mx9 h ASN 3549N 0.35 -0.24 -0.81 4.18 -0.00 -1.37 -3.16 115.58 114.53 1mx9 h ASN 3549Ca 0.46 -0.16 0.19 0.00 -0.00 0.00 0.00 56.30 56.79 1mx9 h ASN 3549Cb 0.81 0.06 -0.12 0.00 -0.00 0.00 0.00 38.32 39.07 1mx9 h ASN 3549CO -0.50 0.28 0.26 0.25 -0.00 0.00 0.00 177.43 177.72 1mx9 h LEU 3550N -1.01 0.13 -1.75 0.34 5.85 -0.83 0.25 115.31 118.29 1mx9 h LEU 3550Ca -0.03 0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.82 1mx9 h LEU 3550Cb 0.39 0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.59 1mx9 h LEU 3550CO 0.05 -0.03 -0.13 -0.26 -0.34 0.00 0.00 178.44 177.72 1mx9 h PHE 3551N 0.32 0.00 0.00 1.25 -1.00 -1.18 -2.03 116.94 114.29 1mx9 h PHE 3551Ca 0.48 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.26 1mx9 h PHE 3551Cb 0.87 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.43 1mx9 h PHE 3551CO -0.22 0.13 0.00 0.00 -1.61 0.00 0.00 178.31 176.61 1mx9 n ALA 3552N -2.24 1.71 1.46 2.45 0.00 0.87 -5.11 120.51 119.64 1mx9 n ALA 3552Ca -0.01 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.57 1mx9 n ALA 3552Cb 0.28 -1.31 0.49 0.00 0.00 0.00 0.00 19.45 18.90 1mx9 n ALA 3552CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13