#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mx5 n PRO 3023N 0.00 1.04 -2.16 -1.46 -0.02 -1.26 -4.94 135.00 126.21 1mx5 n PRO 3023Ca 0.00 0.39 -0.42 0.00 -2.02 0.00 0.00 63.50 61.44 1mx5 n PRO 3023Cb 0.00 -2.06 -0.03 0.00 -0.02 0.00 0.00 33.50 31.40 1mx5 n PRO 3023CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1mx5 s PRO 3024N -2.36 4.24 -0.24 0.52 0.02 -1.26 -4.88 135.00 131.06 1mx5 s PRO 3024Ca 0.69 2.03 0.01 0.00 0.02 0.00 0.00 61.00 63.75 1mx5 s PRO 3024Cb -0.48 -3.70 0.06 0.00 0.02 0.00 0.00 34.50 30.40 1mx5 s PRO 3024CO 0.52 -0.68 -0.08 0.08 -0.33 0.00 0.00 177.00 176.51 1mx5 s VAL 3025N 2.96 1.76 0.02 3.83 1.01 -1.26 0.37 120.40 129.08 1mx5 s VAL 3025Ca 0.66 -1.31 0.03 0.00 0.00 0.00 0.00 61.98 61.37 1mx5 s VAL 3025Cb -0.32 -1.93 -0.04 0.00 0.00 0.00 0.00 36.38 34.09 1mx5 s VAL 3025CO 0.26 -0.02 -0.05 -0.69 0.00 0.00 0.00 175.10 174.61 1mx5 s VAL 3026N 1.30 3.77 -0.20 2.92 1.01 0.20 -4.94 120.40 124.47 1mx5 s VAL 3026Ca -0.06 -0.79 -0.09 0.00 0.00 0.00 0.00 61.98 61.04 1mx5 s VAL 3026Cb -0.19 -2.68 -0.04 0.00 0.00 0.00 0.00 36.38 33.47 1mx5 s VAL 3026CO -0.06 0.34 0.10 -0.62 0.00 0.00 0.00 175.10 174.86 1mx5 s ASP 3027N -1.60 5.82 0.32 3.32 -1.08 -1.26 -0.13 116.67 122.06 1mx5 s ASP 3027Ca 0.19 0.10 0.06 0.00 -0.52 0.00 0.00 52.55 52.38 1mx5 s ASP 3027Cb -0.11 -2.02 -0.06 0.00 -1.46 0.00 0.00 42.92 39.27 1mx5 s ASP 3027CO 0.10 0.14 -0.01 0.42 0.52 0.00 0.00 175.17 176.33 1mx5 s THR 3028N 0.59 1.58 0.29 1.71 -4.23 -0.20 -4.81 115.64 110.57 1mx5 s THR 3028Ca 0.05 -2.07 0.05 0.00 -1.18 0.00 0.00 61.69 58.54 1mx5 s THR 3028Cb -0.12 -2.66 0.29 0.00 1.34 0.00 0.00 72.50 71.35 1mx5 s THR 3028CO 0.01 -0.15 1.70 0.58 -0.54 0.00 0.00 174.62 176.22 1mx5 h VAL 3029N 2.13 0.48 0.00 2.29 2.07 -1.95 -0.98 116.25 120.30 1mx5 h VAL 3029Ca -0.41 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 66.97 1mx5 h VAL 3029Cb 1.24 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 1mx5 h VAL 3029CO 0.70 0.08 -0.34 1.41 0.02 0.00 0.00 177.57 179.44 1mx5 n HIS 3030N -5.02 0.57 -0.18 1.57 8.25 -1.26 -5.02 115.22 114.13 1mx5 n HIS 3030Ca 0.23 0.17 0.00 0.00 -0.26 0.00 0.00 57.72 57.85 1mx5 n HIS 3030Cb 0.67 -0.70 0.00 0.00 1.12 0.00 0.00 29.99 31.08 1mx5 n HIS 3030CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1mx5 n GLY 3031N 1.36 -0.93 3.78 -1.41 0.00 -0.37 -1.24 105.19 106.38 1mx5 n GLY 3031Ca 0.05 -1.63 -0.39 0.00 0.00 0.00 0.00 46.02 44.05 1mx5 n GLY 3031CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mx5 s LYS 3032N -1.55 4.26 0.10 1.61 1.02 -1.24 -1.04 119.74 122.90 1mx5 s LYS 3032Ca 0.00 0.70 0.09 0.00 0.02 0.00 0.00 55.97 56.77 1mx5 s LYS 3032Cb 0.00 -3.31 -0.04 0.00 -0.52 0.00 0.00 37.83 33.96 1mx5 s LYS 3032CO 0.00 0.46 -0.19 0.14 -0.92 0.00 0.00 175.35 174.84 1mx5 s VAL 3033N -0.48 2.80 -0.18 3.17 -7.23 0.81 -0.69 120.40 118.60 1mx5 s VAL 3033Ca 0.30 -1.43 0.01 0.00 -1.81 0.00 0.00 61.98 59.04 1mx5 s VAL 3033Cb -0.18 -2.25 0.03 0.00 0.56 0.00 0.00 36.38 34.53 1mx5 s VAL 3033CO 0.17 0.16 -0.14 -0.22 -0.31 0.00 0.00 175.10 174.76 1mx5 s LEU 3034N -1.95 2.07 0.00 1.32 1.98 -0.40 -0.63 118.68 121.07 1mx5 s LEU 3034Ca 0.17 -0.70 0.00 0.00 -2.89 0.00 0.00 54.13 50.71 1mx5 s LEU 3034Cb -0.11 -1.28 0.00 0.00 0.66 0.00 0.00 46.19 45.46 1mx5 s LEU 3034CO 0.09 -0.08 0.00 0.61 -1.89 0.00 0.00 176.35 175.08 1mx5 n GLY 3035N 4.69 3.25 3.26 7.98 0.00 0.16 -1.04 105.19 123.50 1mx5 n GLY 3035Ca -0.17 -1.88 -0.13 0.00 0.00 0.00 0.00 46.02 43.84 1mx5 n GLY 3035CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mx5 s LYS 3036N 3.12 0.75 -0.02 1.61 -2.85 -0.76 -4.01 119.74 117.58 1mx5 s LYS 3036Ca 0.00 -0.29 -0.17 0.00 -1.00 0.00 0.00 55.97 54.51 1mx5 s LYS 3036Cb 0.00 0.33 -0.05 0.00 -2.06 0.00 0.00 37.83 36.05 1mx5 s LYS 3036CO 0.00 -0.22 0.47 -0.06 0.10 0.00 0.00 175.35 175.63 1mx5 s PHE 3037N -1.82 3.67 -0.08 1.78 2.99 -1.26 -0.92 117.98 122.35 1mx5 s PHE 3037Ca -0.10 1.02 -0.01 0.00 0.00 0.00 0.00 56.93 57.85 1mx5 s PHE 3037Cb -0.03 -2.43 0.03 0.00 0.00 0.00 0.00 43.02 40.59 1mx5 s PHE 3037CO 0.01 0.47 -0.03 0.08 -0.00 0.00 0.00 175.22 175.76 1mx5 s VAL 3038N -0.50 0.59 0.12 -0.44 1.01 -0.53 -4.94 120.40 115.70 1mx5 s VAL 3038Ca 0.26 -0.04 -0.13 0.00 0.00 0.00 0.00 61.98 62.06 1mx5 s VAL 3038Cb -0.17 -0.69 -0.07 0.00 0.00 0.00 0.00 36.38 35.46 1mx5 s VAL 3038CO 0.14 0.29 0.50 -0.44 0.00 0.00 0.00 175.10 175.58 1mx5 s SER 3039N 1.71 6.79 -0.06 3.32 0.01 -1.26 -0.91 113.70 123.29 1mx5 s SER 3039Ca 0.02 1.01 0.06 0.00 1.31 0.00 0.00 55.95 58.34 1mx5 s SER 3039Cb -0.13 -2.26 -0.01 0.00 0.21 0.00 0.00 66.02 63.83 1mx5 s SER 3039CO -0.05 0.14 -0.24 -0.22 0.41 0.00 0.00 173.24 173.28 1mx5 s LEU 3040N -1.85 2.06 -0.24 2.44 2.96 -1.26 -4.98 118.68 117.80 1mx5 s LEU 3040Ca 0.35 -0.51 -0.40 0.00 -0.22 0.00 0.00 54.13 53.35 1mx5 s LEU 3040Cb -0.15 -1.35 -0.16 0.00 0.50 0.00 0.00 46.19 45.03 1mx5 s LEU 3040CO 0.18 0.22 1.65 1.21 -1.32 0.00 0.00 176.35 178.30 1mx5 n GLU 3041N 3.05 1.00 -0.41 1.98 4.07 -1.26 -1.78 120.64 127.29 1mx5 n GLU 3041Ca -0.18 0.36 0.00 0.00 -0.06 0.00 0.00 57.16 57.29 1mx5 n GLU 3041Cb 0.52 -2.02 0.00 0.00 -0.06 0.00 0.00 31.44 29.89 1mx5 n GLU 3041CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1mx5 n GLY 3042N 3.86 0.79 2.65 8.31 0.00 -1.26 -5.06 105.19 114.48 1mx5 n GLY 3042Ca 0.26 -0.08 -0.23 0.00 0.00 0.00 0.00 46.02 45.96 1mx5 n GLY 3042CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1mx5 s PHE 3043N -2.00 0.11 0.10 1.61 0.40 -0.73 -5.05 117.98 112.42 1mx5 s PHE 3043Ca 0.00 -0.07 -0.22 0.00 -0.60 0.00 0.00 56.93 56.05 1mx5 s PHE 3043Cb 0.00 -0.59 -0.11 0.00 0.51 0.00 0.00 43.02 42.83 1mx5 s PHE 3043CO 0.00 -0.41 1.74 0.00 0.70 0.00 0.00 175.22 177.25 1mx5 h ALA 3044N 8.42 0.07 -2.25 5.36 0.00 -1.97 -3.40 119.26 125.49 1mx5 h ALA 3044Ca -0.14 0.01 -0.55 0.00 0.00 0.00 0.00 54.91 54.22 1mx5 h ALA 3044Cb 1.14 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 1mx5 h ALA 3044CO 0.24 -0.45 0.97 -1.14 0.00 0.00 0.00 179.25 178.86 1mx5 s GLN 3045N -6.19 4.22 0.64 0.00 2.00 -1.26 -4.99 119.66 114.08 1mx5 s GLN 3045Ca -0.13 1.95 -0.17 0.00 -2.00 0.00 0.00 55.36 55.01 1mx5 s GLN 3045Cb 0.07 -3.82 -0.01 0.00 0.80 0.00 0.00 33.01 30.05 1mx5 s GLN 3045CO 0.67 -0.74 1.19 -2.14 -0.50 0.00 0.00 175.29 173.77 1mx5 s PRO 3046N 3.50 2.74 -0.19 1.67 0.02 -1.26 -4.79 135.00 136.68 1mx5 s PRO 3046Ca 0.65 1.72 -0.14 0.00 0.02 0.00 0.00 61.00 63.25 1mx5 s PRO 3046Cb -0.29 -1.91 -0.04 0.00 0.02 0.00 0.00 34.50 32.28 1mx5 s PRO 3046CO 0.24 -1.36 0.32 0.08 -0.33 0.00 0.00 177.00 175.94 1mx5 s VAL 3047N -1.83 5.27 -0.14 3.83 1.01 -0.09 -4.82 120.40 123.63 1mx5 s VAL 3047Ca 0.75 0.56 -0.28 0.00 0.00 0.00 0.00 61.98 63.01 1mx5 s VAL 3047Cb -0.28 -3.65 -0.01 0.00 0.00 0.00 0.00 36.38 32.43 1mx5 s VAL 3047CO 0.37 0.32 0.93 0.00 0.00 0.00 0.00 175.10 176.72 1mx5 s ALA 3048N 0.93 3.46 -0.13 5.51 0.00 -0.53 -1.45 121.76 129.54 1mx5 s ALA 3048Ca 0.16 0.22 0.02 0.00 0.00 0.00 0.00 51.96 52.36 1mx5 s ALA 3048Cb -0.14 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.64 1mx5 s ALA 3048CO 0.06 -0.63 -0.20 0.42 0.00 0.00 0.00 175.76 175.41 1mx5 s ILE 3049N 2.09 2.31 -0.20 0.00 1.01 -0.09 -1.75 121.20 124.57 1mx5 s ILE 3049Ca 0.44 -0.91 0.01 0.00 0.00 0.00 0.00 60.65 60.19 1mx5 s ILE 3049Cb -0.17 -1.93 0.02 0.00 0.01 0.00 0.00 42.46 40.39 1mx5 s ILE 3049CO 0.15 0.54 -0.17 -0.36 0.00 0.00 0.00 174.94 175.10 1mx5 s PHE 3050N 0.62 2.87 -0.15 3.97 0.40 -0.43 -1.83 117.98 123.42 1mx5 s PHE 3050Ca -0.11 -1.71 -0.04 0.00 -0.60 0.00 0.00 56.93 54.48 1mx5 s PHE 3050Cb -0.16 -1.94 -0.03 0.00 0.51 0.00 0.00 43.02 41.40 1mx5 s PHE 3050CO 0.03 -0.80 -0.04 -0.51 0.70 0.00 0.00 175.22 174.60 1mx5 s LEU 3051N 1.27 3.27 -0.42 -0.37 1.43 0.12 -0.97 118.68 123.01 1mx5 s LEU 3051Ca 0.03 -0.12 -0.00 0.00 -1.03 0.00 0.00 54.13 53.01 1mx5 s LEU 3051Cb -0.14 -1.79 -0.00 0.00 0.03 0.00 0.00 46.19 44.29 1mx5 s LEU 3051CO -0.11 0.17 0.35 0.61 0.23 0.00 0.00 176.35 177.61 1mx5 n GLY 3052N 3.50 0.16 3.73 -3.19 0.00 -1.18 -3.87 105.19 104.34 1mx5 n GLY 3052Ca -0.17 -0.25 -0.38 0.00 0.00 0.00 0.00 46.02 45.22 1mx5 n GLY 3052CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1mx5 s ILE 3053N -3.13 5.18 0.06 -0.61 1.01 -0.83 -4.85 121.20 118.03 1mx5 s ILE 3053Ca 0.01 0.93 -0.30 0.00 0.00 0.00 0.00 60.65 61.29 1mx5 s ILE 3053Cb -0.00 -3.80 -0.05 0.00 0.01 0.00 0.00 42.46 38.62 1mx5 s ILE 3053CO 0.26 0.35 1.00 -2.16 0.00 0.00 0.00 174.94 174.38 1mx5 s PRO 3054N 0.50 4.61 0.00 2.79 0.04 -1.26 -1.42 135.00 140.25 1mx5 s PRO 3054Ca 0.25 1.48 0.08 0.00 0.04 0.00 0.00 61.00 62.85 1mx5 s PRO 3054Cb -0.15 -3.41 0.11 0.00 0.04 0.00 0.00 34.50 31.09 1mx5 s PRO 3054CO 0.10 0.04 0.89 1.97 0.04 0.00 0.00 177.00 180.04 1mx5 n PHE 3055N 3.38 0.10 -3.83 0.56 1.16 -1.12 -4.88 117.46 112.82 1mx5 n PHE 3055Ca 0.05 -0.14 -0.09 0.00 -1.87 0.00 0.00 57.45 55.39 1mx5 n PHE 3055Cb 0.50 -0.01 -0.03 0.00 -1.61 0.00 0.00 39.48 38.32 1mx5 n PHE 3055CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1mx5 s ALA 3056N -0.78 -0.90 0.08 1.98 0.00 -1.26 -4.40 121.76 116.48 1mx5 s ALA 3056Ca 0.12 -0.38 -0.25 0.00 0.00 0.00 0.00 51.96 51.44 1mx5 s ALA 3056Cb 0.08 0.91 -0.06 0.00 0.00 0.00 0.00 23.12 24.04 1mx5 s ALA 3056CO 0.11 -0.90 0.78 0.21 0.00 0.00 0.00 175.76 175.96 1mx5 s LYS 3057N -3.92 4.53 -0.25 0.00 2.20 0.15 -4.22 119.74 118.23 1mx5 s LYS 3057Ca 0.13 1.12 -0.42 0.00 -0.36 0.00 0.00 55.97 56.44 1mx5 s LYS 3057Cb -0.03 -3.34 -0.18 0.00 -1.51 0.00 0.00 37.83 32.77 1mx5 s LYS 3057CO 0.03 0.34 1.55 -2.30 -0.36 0.00 0.00 175.35 174.61 1mx5 n PRO 3058N 2.54 0.65 -1.04 4.03 -0.02 -1.26 -4.59 135.00 135.31 1mx5 n PRO 3058Ca -0.03 0.24 -0.30 0.00 -2.02 0.00 0.00 63.50 61.39 1mx5 n PRO 3058Cb 0.50 -1.84 -0.03 0.00 -0.02 0.00 0.00 33.50 32.11 1mx5 n PRO 3058CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1mx5 n PRO 3059N 3.99 2.90 -3.82 0.52 -0.04 -1.26 -4.91 135.00 132.39 1mx5 n PRO 3059Ca 0.26 -1.79 -0.21 0.00 -0.04 0.00 0.00 63.50 61.71 1mx5 n PRO 3059Cb 0.08 -2.59 -0.04 0.00 -0.04 0.00 0.00 33.50 30.91 1mx5 n PRO 3059CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1mx5 s LEU 3060N 0.13 3.63 0.00 1.53 1.43 -1.26 -3.98 118.68 120.16 1mx5 s LEU 3060Ca 0.57 -0.47 0.00 0.00 -1.03 0.00 0.00 54.13 53.20 1mx5 s LEU 3060Cb 0.16 -2.25 0.00 0.00 0.03 0.00 0.00 46.19 44.13 1mx5 s LEU 3060CO -0.04 -0.34 0.00 0.61 0.23 0.00 0.00 176.35 176.81 1mx5 n GLY 3061N -1.37 3.65 0.27 -3.19 0.00 -1.26 -1.38 105.19 101.92 1mx5 n GLY 3061Ca -0.02 0.01 0.15 0.00 0.00 0.00 0.00 46.02 46.16 1mx5 n GLY 3061CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1mx5 h PRO 3062N 0.00 0.00 0.00 1.61 0.13 -1.94 -2.58 132.00 129.22 1mx5 h PRO 3062Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1mx5 h PRO 3062Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1mx5 h PRO 3062CO 0.00 0.08 0.00 1.28 -0.23 0.00 0.00 178.00 179.13 1mx5 n LEU 3063N -3.37 0.00 -4.77 1.56 4.77 -0.48 -4.74 117.00 109.98 1mx5 n LEU 3063Ca -0.01 0.42 -0.40 0.00 -0.03 0.00 0.00 56.01 55.98 1mx5 n LEU 3063Cb 0.25 -0.42 -0.02 0.00 -2.33 0.00 0.00 43.42 40.90 1mx5 n LEU 3063CO 0.28 -0.25 0.91 -0.60 -1.33 0.00 0.00 177.39 176.40 1mx5 s ARG 3064N -2.84 4.36 -1.36 3.23 3.52 -0.97 -2.86 118.95 122.03 1mx5 s ARG 3064Ca 0.08 2.06 -0.08 0.00 -0.13 0.00 0.00 55.73 57.66 1mx5 s ARG 3064Cb 0.08 -3.03 0.02 0.00 -1.56 0.00 0.00 34.95 30.46 1mx5 s ARG 3064CO 0.20 -0.13 1.14 1.19 -0.81 0.00 0.00 175.30 176.89 1mx5 n PHE 3065N 0.75 -2.73 -3.95 5.12 3.72 -1.26 -5.01 117.46 114.10 1mx5 n PHE 3065Ca 0.01 1.00 -0.09 0.00 -0.05 0.00 0.00 57.45 58.31 1mx5 n PHE 3065Cb 0.43 -4.93 -0.10 0.00 -0.94 0.00 0.00 39.48 33.95 1mx5 n PHE 3065CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1mx5 s THR 3066N -3.33 0.14 0.59 4.37 -4.23 -1.13 -4.88 115.64 107.16 1mx5 s THR 3066Ca 0.52 -1.11 -0.20 0.00 -1.18 0.00 0.00 61.69 59.72 1mx5 s THR 3066Cb -0.23 -0.85 -0.03 0.00 1.34 0.00 0.00 72.50 72.73 1mx5 s THR 3066CO 0.74 -0.61 1.29 -2.16 -0.54 0.00 0.00 174.62 173.34 1mx5 s PRO 3067N -2.52 2.91 0.43 3.99 0.04 -1.26 -4.91 135.00 133.67 1mx5 s PRO 3067Ca -0.06 2.05 -0.25 0.00 0.04 0.00 0.00 61.00 62.78 1mx5 s PRO 3067Cb -0.02 -2.03 -0.09 0.00 0.04 0.00 0.00 34.50 32.40 1mx5 s PRO 3067CO -0.04 -1.32 1.30 -0.35 0.04 0.00 0.00 177.00 176.63 1mx5 n PRO 3068N -1.47 1.99 -4.26 0.56 -0.04 -1.26 -5.01 135.00 125.51 1mx5 n PRO 3068Ca 0.13 0.71 -0.26 0.00 -0.04 0.00 0.00 63.50 64.04 1mx5 n PRO 3068Cb 0.47 -2.43 -0.08 0.00 -0.04 0.00 0.00 33.50 31.42 1mx5 n PRO 3068CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1mx5 s GLN 3069N -2.25 2.22 0.37 0.54 -0.21 -1.26 -4.99 119.66 114.08 1mx5 s GLN 3069Ca 0.61 -1.22 -0.28 0.00 0.02 0.00 0.00 55.36 54.49 1mx5 s GLN 3069Cb -0.50 -2.23 -0.11 0.00 1.00 0.00 0.00 33.01 31.17 1mx5 s GLN 3069CO 0.58 0.43 1.46 -1.25 -2.12 0.00 0.00 175.29 174.39 1mx5 s PRO 3070N -2.97 4.13 0.75 2.91 0.04 -1.26 0.35 135.00 138.95 1mx5 s PRO 3070Ca 0.27 2.52 -0.13 0.00 0.04 0.00 0.00 61.00 63.69 1mx5 s PRO 3070Cb -0.09 -2.97 0.05 0.00 0.04 0.00 0.00 34.50 31.53 1mx5 s PRO 3070CO 0.17 -0.49 1.14 0.00 0.04 0.00 0.00 177.00 177.86 1mx5 s ALA 3071N -1.13 2.14 0.20 8.56 0.00 -1.26 -4.01 121.76 126.26 1mx5 s ALA 3071Ca 0.52 0.58 -0.21 0.00 0.00 0.00 0.00 51.96 52.85 1mx5 s ALA 3071Cb -0.45 -3.37 -0.08 0.00 0.00 0.00 0.00 23.12 19.21 1mx5 s ALA 3071CO 0.62 -1.83 0.73 -1.21 0.00 0.00 0.00 175.76 174.06 1mx5 s GLU 3072N -4.34 4.34 0.42 0.00 0.41 -1.26 -4.89 118.70 113.37 1mx5 s GLU 3072Ca 0.67 0.94 -0.25 0.00 -0.41 0.00 0.00 54.97 55.93 1mx5 s GLU 3072Cb -0.22 -3.01 -0.08 0.00 -1.78 0.00 0.00 34.13 29.04 1mx5 s GLU 3072CO 0.49 0.46 1.22 -2.14 -0.49 0.00 0.00 175.26 174.80 1mx5 s PRO 3073N -1.68 3.91 0.13 0.39 0.02 -1.26 -5.02 135.00 131.49 1mx5 s PRO 3073Ca 0.40 1.94 0.05 0.00 0.02 0.00 0.00 61.00 63.41 1mx5 s PRO 3073Cb -0.19 -2.62 -0.04 0.00 0.02 0.00 0.00 34.50 31.68 1mx5 s PRO 3073CO 0.22 -0.47 0.06 1.67 -0.33 0.00 0.00 177.00 178.15 1mx5 s TRP 3074N -1.39 3.06 -0.56 6.54 -2.14 -0.37 -5.03 118.94 119.05 1mx5 s TRP 3074Ca 0.59 -0.02 0.24 0.00 2.66 0.00 0.00 56.10 59.58 1mx5 s TRP 3074Cb -0.33 -1.52 0.53 0.00 -3.10 0.00 0.00 33.47 29.05 1mx5 s TRP 3074CO 0.41 0.51 1.67 0.77 -2.66 0.00 0.00 176.95 177.65 1mx5 h SER 3075N 2.95 0.00 0.00 -2.66 0.02 -1.96 -3.42 113.55 108.47 1mx5 h SER 3075Ca -0.47 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 1mx5 h SER 3075Cb 1.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.72 1mx5 h SER 3075CO 0.62 0.00 0.00 0.49 -1.14 0.00 0.00 176.83 176.80 1mx5 n PHE 3076N -2.75 0.00 -4.06 3.45 3.01 -1.26 -5.04 117.46 110.81 1mx5 n PHE 3076Ca 0.05 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 58.19 1mx5 n PHE 3076Cb 0.49 0.00 -0.15 0.00 -0.01 0.00 0.00 39.48 39.80 1mx5 n PHE 3076CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1mx5 s VAL 3077N 2.67 2.02 0.09 -4.37 1.01 -1.26 -3.62 120.40 116.94 1mx5 s VAL 3077Ca 0.00 -1.33 -0.30 0.00 0.00 0.00 0.00 61.98 60.35 1mx5 s VAL 3077Cb 0.00 -2.05 -0.05 0.00 0.00 0.00 0.00 36.38 34.28 1mx5 s VAL 3077CO 0.00 0.15 0.98 -0.75 0.00 0.00 0.00 175.10 175.48 1mx5 s LYS 3078N 1.21 4.65 -0.36 2.72 2.20 0.13 -4.90 119.74 125.39 1mx5 s LYS 3078Ca -0.04 1.47 -0.27 0.00 -0.36 0.00 0.00 55.97 56.78 1mx5 s LYS 3078Cb -0.17 -3.39 0.02 0.00 -1.51 0.00 0.00 37.83 32.77 1mx5 s LYS 3078CO -0.08 0.12 0.98 1.21 -0.36 0.00 0.00 175.35 177.22 1mx5 s ASN 3079N 0.29 6.74 -0.64 1.43 3.84 -1.26 -1.27 114.94 124.07 1mx5 s ASN 3079Ca 0.49 0.70 0.04 0.00 0.21 0.00 0.00 52.86 54.30 1mx5 s ASN 3079Cb -0.23 -2.49 0.35 0.00 -0.55 0.00 0.00 41.25 38.33 1mx5 s ASN 3079CO 0.30 -0.88 1.15 0.00 -2.79 0.00 0.00 177.10 174.87 1mx5 n ALA 3080N 6.85 5.02 -0.87 1.71 0.00 -0.20 -4.71 120.51 128.32 1mx5 n ALA 3080Ca 0.09 -4.62 0.05 0.00 0.00 0.00 0.00 53.44 48.96 1mx5 n ALA 3080Cb 0.48 -0.97 0.07 0.00 0.00 0.00 0.00 19.45 19.03 1mx5 n ALA 3080CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1mx5 n THR 3081N -0.26 1.25 -3.96 0.00 -2.24 -1.25 0.14 114.28 107.96 1mx5 n THR 3081Ca 0.35 -1.44 -0.16 0.00 -2.27 0.00 0.00 64.05 60.54 1mx5 n THR 3081Cb 0.40 0.16 -0.15 0.00 -2.10 0.00 0.00 70.33 68.64 1mx5 n THR 3081CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1mx5 s SER 3082N -1.88 0.35 0.44 3.42 1.04 -1.26 -4.93 113.70 110.88 1mx5 s SER 3082Ca 0.16 -0.03 -0.23 0.00 0.48 0.00 0.00 55.95 56.33 1mx5 s SER 3082Cb 0.14 -0.14 -0.10 0.00 0.10 0.00 0.00 66.02 66.02 1mx5 s SER 3082CO 0.02 -0.05 0.88 -1.22 0.98 0.00 0.00 173.24 173.85 1mx5 n TYR 3083N 3.69 0.69 -2.58 5.02 4.01 -1.26 -4.30 117.16 122.43 1mx5 n TYR 3083Ca -0.21 0.56 -0.23 0.00 -0.16 0.00 0.00 57.90 57.85 1mx5 n TYR 3083Cb 0.54 -2.15 0.04 0.00 -0.31 0.00 0.00 39.34 37.45 1mx5 n TYR 3083CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1mx5 s PRO 3084N -1.98 2.63 0.73 -0.72 0.04 -1.26 -4.94 135.00 129.50 1mx5 s PRO 3084Ca 0.65 -0.48 -0.11 0.00 0.04 0.00 0.00 61.00 61.09 1mx5 s PRO 3084Cb -0.55 -2.40 0.03 0.00 0.04 0.00 0.00 34.50 31.62 1mx5 s PRO 3084CO 0.56 -0.74 1.07 -1.25 0.04 0.00 0.00 177.00 176.69 1mx5 s PRO 3085N -4.86 2.61 0.02 0.56 0.04 -1.26 -4.68 135.00 127.42 1mx5 s PRO 3085Ca 0.56 0.92 -0.03 0.00 0.04 0.00 0.00 61.00 62.48 1mx5 s PRO 3085Cb -0.10 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.44 1mx5 s PRO 3085CO 0.41 -1.32 0.22 0.00 0.04 0.00 0.00 177.00 176.35 1mx5 s MET 3086N -5.04 3.49 0.38 4.56 0.23 0.16 -4.74 119.30 118.33 1mx5 s MET 3086Ca 0.59 -0.26 -0.25 0.00 -1.03 0.00 0.00 55.69 54.74 1mx5 s MET 3086Cb -0.15 -3.07 -0.12 0.00 -1.53 0.00 0.00 34.83 29.97 1mx5 s MET 3086CO 0.55 0.64 0.93 0.00 -2.03 0.00 0.00 175.02 175.11 1mx5 n THR 3088N -0.32 1.06 -3.74 0.00 -1.04 -1.06 -4.70 114.28 104.48 1mx5 n THR 3088Ca 0.10 -0.26 0.00 0.00 -2.04 0.00 0.00 64.05 61.84 1mx5 n THR 3088Cb 0.37 -0.49 -0.00 0.00 -1.82 0.00 0.00 70.33 68.38 1mx5 n THR 3088CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1mx5 s GLN 3089N -0.54 0.69 -0.36 -2.82 -2.07 -1.26 -4.71 119.66 108.59 1mx5 s GLN 3089Ca 0.73 -0.40 -0.27 0.00 -1.82 0.00 0.00 55.36 53.60 1mx5 s GLN 3089Cb -0.94 0.22 -0.06 0.00 -1.09 0.00 0.00 33.01 31.14 1mx5 s GLN 3089CO 0.55 -0.32 2.32 0.34 -1.32 0.00 0.00 175.29 176.86 1mx5 s ASP 3090N -3.15 4.92 0.43 12.60 -1.08 -1.26 -4.80 116.67 124.33 1mx5 s ASP 3090Ca 0.17 1.47 0.20 0.00 -0.52 0.00 0.00 52.55 53.87 1mx5 s ASP 3090Cb 0.02 -2.51 1.14 0.00 -1.46 0.00 0.00 42.92 40.11 1mx5 s ASP 3090CO -0.01 -2.44 1.86 1.55 0.52 0.00 0.00 175.17 176.64 1mx5 h PRO 3091N 17.43 0.34 0.07 4.34 0.13 -1.98 0.12 132.00 152.45 1mx5 h PRO 3091Ca -0.32 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1mx5 h PRO 3091Cb 1.25 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1mx5 h PRO 3091CO 1.06 0.22 -0.03 0.87 -0.23 0.00 0.00 178.00 179.89 1mx5 h LYS 3092N 0.35 -0.09 -0.61 0.86 1.57 -1.99 -1.59 116.57 115.07 1mx5 h LYS 3092Ca 0.47 0.01 0.01 0.00 -1.87 0.00 0.00 60.65 59.27 1mx5 h LYS 3092Cb 1.26 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.56 1mx5 h LYS 3092CO -0.16 0.49 0.39 0.00 -0.57 0.00 0.00 179.45 179.60 1mx5 h ALA 3093N 0.02 0.78 0.39 3.86 0.00 -1.84 -1.28 119.26 121.19 1mx5 h ALA 3093Ca -0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1mx5 h ALA 3093Cb 0.61 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1mx5 h ALA 3093CO 0.01 0.17 -0.28 0.78 0.00 0.00 0.00 179.25 179.93 1mx5 h GLY 3094N 0.79 -0.70 0.93 0.00 0.00 -0.84 0.13 103.07 103.38 1mx5 h GLY 3094Ca 0.23 0.31 0.03 0.00 0.00 0.00 0.00 47.33 47.91 1mx5 h GLY 3094CO -0.07 -0.26 0.65 -1.61 0.00 0.00 0.00 176.54 175.25 1mx5 h GLN 3095N -0.66 1.24 0.45 4.80 4.15 -1.13 -1.47 115.11 122.49 1mx5 h GLN 3095Ca -0.04 -0.07 -0.02 0.00 0.77 0.00 0.00 58.65 59.29 1mx5 h GLN 3095Cb 0.56 -0.28 0.00 0.00 0.21 0.00 0.00 27.48 27.97 1mx5 h GLN 3095CO 0.01 0.82 -0.21 1.25 -1.93 0.00 0.00 178.83 178.77 1mx5 h LEU 3096N 1.28 -0.51 -2.04 -2.39 5.85 -0.94 -1.76 115.31 114.81 1mx5 h LEU 3096Ca 0.39 -0.03 0.03 0.00 0.84 0.00 0.00 57.88 59.11 1mx5 h LEU 3096Cb -0.04 0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.12 1mx5 h LEU 3096CO -0.11 -0.30 0.08 0.25 -0.34 0.00 0.00 178.44 178.02 1mx5 h LEU 3097N -0.69 0.00 -0.01 2.25 5.85 -0.78 -1.68 115.31 120.25 1mx5 h LEU 3097Ca -0.06 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.66 1mx5 h LEU 3097Cb 0.51 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.54 1mx5 h LEU 3097CO 0.10 0.00 -0.00 -1.28 -0.34 0.00 0.00 178.44 176.92 1mx5 h SER 3098N 0.00 0.03 -0.82 1.25 0.87 -0.92 -1.76 113.55 112.21 1mx5 h SER 3098Ca 0.05 -0.39 0.05 0.00 -1.23 0.00 0.00 61.79 60.27 1mx5 h SER 3098Cb 0.21 -0.01 -0.06 0.00 -0.44 0.00 0.00 62.40 62.11 1mx5 h SER 3098CO -0.00 0.41 0.51 -0.33 -0.53 0.00 0.00 176.83 176.89 1mx5 h GLU 3099N -0.36 0.92 -0.15 2.24 5.08 -0.67 0.48 114.58 122.12 1mx5 h GLU 3099Ca 0.00 -0.06 -0.11 0.00 -1.00 0.00 0.00 59.36 58.20 1mx5 h GLU 3099Cb 0.40 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1mx5 h GLU 3099CO 0.00 0.61 -0.40 -0.07 -1.00 0.00 0.00 179.01 178.15 1mx5 h LEU 3100N 0.95 0.35 0.00 1.33 3.38 -1.27 -3.32 115.31 116.73 1mx5 h LEU 3100Ca 0.35 -0.15 -0.31 0.00 0.09 0.00 0.00 57.88 57.86 1mx5 h LEU 3100Cb 0.12 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 40.71 1mx5 h LEU 3100CO -0.15 0.72 -2.23 0.49 0.09 0.00 0.00 178.44 177.35 1mx5 n PHE 3101N -4.03 0.15 -1.50 1.13 3.72 -0.67 -4.98 117.46 111.28 1mx5 n PHE 3101Ca -0.01 0.05 -0.44 0.00 -0.05 0.00 0.00 57.45 57.00 1mx5 n PHE 3101Cb 0.48 -0.97 -0.01 0.00 -0.94 0.00 0.00 39.48 38.04 1mx5 n PHE 3101CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 176.76 174.34 1mx5 n THR 3102N -2.74 1.92 0.80 4.37 5.66 0.17 -4.85 114.28 119.61 1mx5 n THR 3102Ca -0.27 -0.50 0.09 0.00 -3.05 0.00 0.00 64.05 60.32 1mx5 n THR 3102Cb 1.07 -0.64 0.01 0.00 -1.55 0.00 0.00 70.33 69.22 1mx5 n THR 3102CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 1mx5 n ASN 3103N 1.34 1.87 -4.92 1.09 6.94 -1.25 -4.98 115.26 115.34 1mx5 n ASN 3103Ca 0.12 -1.44 -0.26 0.00 -0.02 0.00 0.00 54.58 52.98 1mx5 n ASN 3103Cb 0.34 0.40 0.01 0.00 -2.36 0.00 0.00 39.78 38.18 1mx5 n ASN 3103CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1mx5 s ARG 3104N -1.99 3.21 0.15 -3.83 1.70 -1.26 -4.14 118.95 112.79 1mx5 s ARG 3104Ca 0.16 -0.05 -0.24 0.00 -0.47 0.00 0.00 55.73 55.13 1mx5 s ARG 3104Cb 0.15 -2.39 0.03 0.00 -0.57 0.00 0.00 34.95 32.17 1mx5 s ARG 3104CO 0.42 -0.38 1.60 1.57 -1.08 0.00 0.00 175.30 177.43 1mx5 h LYS 3105N 0.14 -0.29 -4.94 3.89 2.10 -1.94 -3.42 116.57 112.11 1mx5 h LYS 3105Ca -0.46 0.02 -0.56 0.00 -2.00 0.00 0.00 60.65 57.65 1mx5 h LYS 3105Cb 1.23 0.07 -0.33 0.00 -0.90 0.00 0.00 32.23 32.30 1mx5 h LYS 3105CO 0.60 -0.19 -0.83 -2.00 -2.00 0.00 0.00 179.45 175.03 1mx5 s GLU 3106N -6.00 1.95 0.32 0.07 2.12 -1.26 -4.99 118.70 110.91 1mx5 s GLU 3106Ca -0.15 -0.56 -0.29 0.00 0.36 0.00 0.00 54.97 54.33 1mx5 s GLU 3106Cb 0.12 -1.60 -0.11 0.00 0.26 0.00 0.00 34.13 32.81 1mx5 s GLU 3106CO 0.67 0.13 1.49 1.21 -0.54 0.00 0.00 175.26 178.22 1mx5 s ASN 3107N 0.39 6.46 -0.27 -1.70 3.84 -1.26 -4.97 114.94 117.43 1mx5 s ASN 3107Ca -0.12 2.91 -0.16 0.00 0.21 0.00 0.00 52.86 55.70 1mx5 s ASN 3107Cb -0.15 -2.65 -0.03 0.00 -0.55 0.00 0.00 41.25 37.88 1mx5 s ASN 3107CO 0.04 -0.81 0.44 -0.63 -2.79 0.00 0.00 177.10 173.35 1mx5 s ILE 3108N -0.60 5.12 0.23 -5.21 1.01 -1.26 -5.04 121.20 115.45 1mx5 s ILE 3108Ca 0.56 0.69 -0.31 0.00 0.00 0.00 0.00 60.65 61.60 1mx5 s ILE 3108Cb -0.45 -3.77 -0.11 0.00 0.01 0.00 0.00 42.46 38.14 1mx5 s ILE 3108CO 0.54 0.10 1.59 -2.84 0.00 0.00 0.00 174.94 174.34 1mx5 s PRO 3109N 2.19 4.17 0.30 2.79 0.02 -1.26 -4.99 135.00 138.23 1mx5 s PRO 3109Ca 0.18 2.49 0.11 0.00 0.02 0.00 0.00 61.00 63.79 1mx5 s PRO 3109Cb -0.16 -3.08 -0.05 0.00 0.02 0.00 0.00 34.50 31.23 1mx5 s PRO 3109CO 0.10 -0.62 -0.11 -0.51 -0.33 0.00 0.00 177.00 175.53 1mx5 s LEU 3110N 0.35 2.80 0.16 -5.54 1.43 -1.26 -5.12 118.68 111.49 1mx5 s LEU 3110Ca 0.67 -0.97 0.04 0.00 -1.03 0.00 0.00 54.13 52.84 1mx5 s LEU 3110Cb -0.46 -1.25 -0.04 0.00 0.03 0.00 0.00 46.19 44.47 1mx5 s LEU 3110CO 0.39 -0.05 0.20 -0.75 0.23 0.00 0.00 176.35 176.37 1mx5 s LYS 3111N -3.59 3.12 -0.12 1.70 2.47 -1.26 -4.92 119.74 117.14 1mx5 s LYS 3111Ca 0.31 -0.77 -0.09 0.00 -1.56 0.00 0.00 55.97 53.87 1mx5 s LYS 3111Cb -0.03 -2.77 -0.04 0.00 -1.46 0.00 0.00 37.83 33.52 1mx5 s LYS 3111CO 0.17 0.50 0.18 -0.51 0.16 0.00 0.00 175.35 175.85 1mx5 s LEU 3112N -3.18 4.36 -0.15 5.43 1.43 -1.26 0.38 118.68 125.70 1mx5 s LEU 3112Ca 0.32 0.50 -0.30 0.00 -1.03 0.00 0.00 54.13 53.63 1mx5 s LEU 3112Cb -0.10 -2.16 0.11 0.00 0.03 0.00 0.00 46.19 44.07 1mx5 s LEU 3112CO 0.25 0.34 0.91 -0.55 0.23 0.00 0.00 176.35 177.53 1mx5 s SER 3113N -0.72 -0.47 0.38 2.29 0.15 -1.01 -4.91 113.70 109.41 1mx5 s SER 3113Ca 0.15 0.57 0.21 0.00 0.70 0.00 0.00 55.95 57.57 1mx5 s SER 3113Cb -0.13 0.46 0.43 0.00 -1.71 0.00 0.00 66.02 65.07 1mx5 s SER 3113CO 0.04 -0.39 1.62 -0.33 1.20 0.00 0.00 173.24 175.38 1mx5 h GLU 3114N 2.91 0.00 -5.35 5.44 5.08 -1.95 -2.81 114.58 117.90 1mx5 h GLU 3114Ca -0.22 0.00 -0.71 0.00 -1.00 0.00 0.00 59.36 57.44 1mx5 h GLU 3114Cb 1.16 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.28 1mx5 h GLU 3114CO 0.30 0.26 1.79 0.34 -1.00 0.00 0.00 179.01 180.71 1mx5 s ASP 3115N -6.28 6.94 0.00 1.42 2.15 -1.26 -4.39 116.67 115.25 1mx5 s ASP 3115Ca 0.04 -2.69 0.00 0.00 0.43 0.00 0.00 52.55 50.33 1mx5 s ASP 3115Cb 0.07 -2.50 0.00 0.00 -0.30 0.00 0.00 42.92 40.20 1mx5 s ASP 3115CO 0.69 -0.98 0.48 0.00 -0.17 0.00 0.00 175.17 175.18 1mx5 n LEU 3117N -0.11 5.09 -4.53 0.00 4.77 -1.26 -4.72 117.00 116.24 1mx5 n LEU 3117Ca 0.00 -3.43 -0.25 0.00 -0.03 0.00 0.00 56.01 52.30 1mx5 n LEU 3117Cb 0.21 -1.40 -0.11 0.00 -2.33 0.00 0.00 43.42 39.80 1mx5 n LEU 3117CO 0.00 0.10 -0.29 -0.31 -1.33 0.00 0.00 177.39 175.56 1mx5 s TYR 3118N 4.72 2.23 0.02 -1.77 1.51 -1.26 -2.81 117.35 120.00 1mx5 s TYR 3118Ca 0.54 -0.79 -0.03 0.00 -1.01 0.00 0.00 57.07 55.78 1mx5 s TYR 3118Cb 0.13 -1.50 -0.02 0.00 -0.11 0.00 0.00 41.96 40.46 1mx5 s TYR 3118CO 0.04 0.25 0.04 -0.48 -1.11 0.00 0.00 175.55 174.28 1mx5 s LEU 3119N -3.59 2.02 -0.05 -1.29 0.05 -0.51 -2.26 118.68 113.05 1mx5 s LEU 3119Ca 0.35 -0.50 0.04 0.00 0.05 0.00 0.00 54.13 54.08 1mx5 s LEU 3119Cb 0.09 0.35 -0.02 0.00 -2.05 0.00 0.00 46.19 44.56 1mx5 s LEU 3119CO 0.16 -0.40 -0.17 0.20 -0.55 0.00 0.00 176.35 175.59 1mx5 s ASN 3120N -1.76 3.78 -0.04 1.48 0.01 0.00 -1.96 114.94 116.45 1mx5 s ASN 3120Ca -0.11 -0.27 0.06 0.00 -0.71 0.00 0.00 52.86 51.83 1mx5 s ASN 3120Cb -0.05 -0.77 -0.02 0.00 0.41 0.00 0.00 41.25 40.81 1mx5 s ASN 3120CO -0.02 0.33 -0.20 -0.63 -1.51 0.00 0.00 177.10 175.07 1mx5 s ILE 3121N -0.64 2.61 -0.28 0.60 1.01 -0.14 -1.25 121.20 123.10 1mx5 s ILE 3121Ca 0.10 -0.90 -0.01 0.00 0.00 0.00 0.00 60.65 59.84 1mx5 s ILE 3121Cb -0.11 -1.98 0.09 0.00 0.01 0.00 0.00 42.46 40.48 1mx5 s ILE 3121CO 0.00 0.59 0.08 -0.31 0.00 0.00 0.00 174.94 175.30 1mx5 s TYR 3122N -0.68 1.63 -0.14 3.97 1.51 0.05 -1.32 117.35 122.37 1mx5 s TYR 3122Ca 0.11 -1.58 0.00 0.00 -1.01 0.00 0.00 57.07 54.59 1mx5 s TYR 3122Cb -0.10 -1.58 -0.01 0.00 -0.11 0.00 0.00 41.96 40.16 1mx5 s TYR 3122CO -0.00 -0.82 -0.15 -0.08 -1.11 0.00 0.00 175.55 173.39 1mx5 s THR 3123N 1.65 2.78 -1.49 -0.71 -1.32 -0.72 -1.07 115.64 114.75 1mx5 s THR 3123Ca 0.07 -0.74 0.27 0.00 -1.21 0.00 0.00 61.69 60.08 1mx5 s THR 3123Cb -0.17 -2.17 0.29 0.00 -1.51 0.00 0.00 72.50 68.94 1mx5 s THR 3123CO -0.21 0.52 1.69 -0.81 -2.21 0.00 0.00 174.62 173.60 1mx5 n PRO 3124N 3.85 0.54 -2.17 7.08 -0.04 -1.26 -1.46 135.00 141.54 1mx5 n PRO 3124Ca -0.19 -0.25 -0.37 0.00 -0.04 0.00 0.00 63.50 62.66 1mx5 n PRO 3124Cb 0.52 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 1mx5 n PRO 3124CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1mx5 s ALA 3125N -2.63 2.88 -0.50 0.55 0.00 -1.26 -4.85 121.76 115.95 1mx5 s ALA 3125Ca 0.23 0.99 -0.29 0.00 0.00 0.00 0.00 51.96 52.89 1mx5 s ALA 3125Cb 0.19 -3.41 0.02 0.00 0.00 0.00 0.00 23.12 19.92 1mx5 s ALA 3125CO 0.54 -0.82 1.29 0.34 0.00 0.00 0.00 175.76 177.11 1mx5 s ASP 3126N -1.37 6.40 0.00 0.00 -1.08 -1.26 -4.78 116.67 114.58 1mx5 s ASP 3126Ca 0.67 0.47 0.12 0.00 -0.52 0.00 0.00 52.55 53.29 1mx5 s ASP 3126Cb -0.30 -2.55 0.53 0.00 -1.46 0.00 0.00 42.92 39.15 1mx5 s ASP 3126CO 0.35 -1.45 1.38 0.18 0.52 0.00 0.00 175.17 176.15 1mx5 n LEU 3127N 8.64 0.00 -0.43 -1.34 4.77 -1.26 -1.30 117.00 126.07 1mx5 n LEU 3127Ca 0.13 0.47 0.14 0.00 -0.03 0.00 0.00 56.01 56.72 1mx5 n LEU 3127Cb 0.49 -0.47 0.52 0.00 -2.33 0.00 0.00 43.42 41.63 1mx5 n LEU 3127CO 0.71 -0.28 0.85 0.35 -1.33 0.00 0.00 177.39 177.70 1mx5 n THR 3128N -1.47 0.00 -4.22 -5.08 -2.24 -1.26 -4.84 114.28 95.16 1mx5 n THR 3128Ca 0.03 -0.22 -0.22 0.00 -2.27 0.00 0.00 64.05 61.36 1mx5 n THR 3128Cb 0.14 0.44 -0.03 0.00 -2.10 0.00 0.00 70.33 68.78 1mx5 n THR 3128CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1mx5 n LYS 3129N 0.01 0.98 -3.67 -0.78 4.76 -0.42 -5.09 118.16 113.95 1mx5 n LYS 3129Ca 0.18 -2.72 -0.34 0.00 -2.87 0.00 0.00 58.31 52.56 1mx5 n LYS 3129Cb 0.34 0.54 -0.07 0.00 -1.84 0.00 0.00 35.03 34.00 1mx5 n LYS 3129CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1mx5 n LYS 3130N -1.20 2.52 -3.74 1.97 5.02 -1.26 -4.93 118.16 116.54 1mx5 n LYS 3130Ca -0.09 -4.49 -0.29 0.00 -2.02 0.00 0.00 58.31 51.42 1mx5 n LYS 3130Cb 0.48 -2.39 -0.04 0.00 -0.02 0.00 0.00 35.03 33.07 1mx5 n LYS 3130CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1mx5 s ASN 3131N -0.52 6.40 -0.42 4.39 -0.87 -1.26 -5.05 114.94 117.61 1mx5 s ASN 3131Ca 0.28 0.40 0.04 0.00 -1.57 0.00 0.00 52.86 52.01 1mx5 s ASN 3131Cb -0.06 -2.01 0.17 0.00 -0.02 0.00 0.00 41.25 39.33 1mx5 s ASN 3131CO -0.13 0.01 0.36 -0.13 -2.57 0.00 0.00 177.10 174.65 1mx5 s ARG 3132N -3.07 0.90 0.30 -0.60 0.52 -0.95 -4.07 118.95 111.99 1mx5 s ARG 3132Ca 0.38 -2.02 -0.04 0.00 -0.52 0.00 0.00 55.73 53.53 1mx5 s ARG 3132Cb -0.11 -1.32 -0.05 0.00 0.52 0.00 0.00 34.95 33.99 1mx5 s ARG 3132CO 0.28 -1.38 0.55 -0.51 0.02 0.00 0.00 175.30 174.26 1mx5 s LEU 3133N 0.14 4.04 0.53 2.53 1.43 0.16 -4.29 118.68 123.21 1mx5 s LEU 3133Ca 0.32 0.65 -0.22 0.00 -1.03 0.00 0.00 54.13 53.85 1mx5 s LEU 3133Cb 0.03 -3.48 -0.05 0.00 0.03 0.00 0.00 46.19 42.72 1mx5 s LEU 3133CO -0.19 -0.22 1.37 -2.16 0.23 0.00 0.00 176.35 175.38 1mx5 s PRO 3134N -3.73 3.24 -0.12 1.29 0.04 -1.26 0.43 135.00 134.89 1mx5 s PRO 3134Ca 0.43 2.26 -0.01 0.00 0.04 0.00 0.00 61.00 63.72 1mx5 s PRO 3134Cb -0.10 -2.33 -0.02 0.00 0.04 0.00 0.00 34.50 32.08 1mx5 s PRO 3134CO 0.32 -1.12 -0.08 0.08 0.04 0.00 0.00 177.00 176.24 1mx5 s VAL 3135N -1.29 3.56 -0.25 -0.36 1.01 0.23 -1.48 120.40 121.83 1mx5 s VAL 3135Ca 0.70 -0.50 0.02 0.00 0.00 0.00 0.00 61.98 62.20 1mx5 s VAL 3135Cb -0.41 -2.51 0.06 0.00 0.00 0.00 0.00 36.38 33.52 1mx5 s VAL 3135CO 0.49 0.54 -0.10 -0.04 0.00 0.00 0.00 175.10 175.99 1mx5 s MET 3136N -0.02 2.07 -0.28 2.72 -1.94 0.07 0.95 119.30 122.87 1mx5 s MET 3136Ca -0.01 -1.23 -0.15 0.00 -1.71 0.00 0.00 55.69 52.60 1mx5 s MET 3136Cb -0.14 -2.79 -0.04 0.00 2.01 0.00 0.00 34.83 33.88 1mx5 s MET 3136CO 0.03 -0.57 0.37 0.08 -0.01 0.00 0.00 175.02 174.92 1mx5 s VAL 3137N 1.19 5.18 -0.18 -6.03 1.01 0.42 -0.80 120.40 121.19 1mx5 s VAL 3137Ca -0.08 0.50 -0.16 0.00 0.00 0.00 0.00 61.98 62.25 1mx5 s VAL 3137Cb -0.19 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.44 1mx5 s VAL 3137CO -0.06 0.13 0.39 0.86 0.00 0.00 0.00 175.10 176.43 1mx5 s TRP 3138N 2.06 3.42 -0.42 5.22 -0.11 0.32 -1.31 118.94 128.11 1mx5 s TRP 3138Ca 0.14 0.67 -0.06 0.00 1.22 0.00 0.00 56.10 58.08 1mx5 s TRP 3138Cb -0.16 -2.50 0.10 0.00 -1.50 0.00 0.00 33.47 29.42 1mx5 s TRP 3138CO 0.10 0.08 0.24 0.42 -4.62 0.00 0.00 176.95 173.17 1mx5 s ILE 3139N 0.99 3.69 1.13 5.86 1.01 0.04 -2.06 121.20 131.86 1mx5 s ILE 3139Ca 0.20 -1.83 -0.12 0.00 0.00 0.00 0.00 60.65 58.90 1mx5 s ILE 3139Cb -0.14 -3.43 0.26 0.00 0.01 0.00 0.00 42.46 39.16 1mx5 s ILE 3139CO 0.08 -0.65 1.05 -1.38 0.00 0.00 0.00 174.94 174.03 1mx5 s HIS 3140N 1.26 1.33 0.00 3.97 -3.43 -1.26 -3.56 115.29 113.59 1mx5 s HIS 3140Ca 0.06 1.34 0.00 0.00 -0.80 0.00 0.00 55.06 55.66 1mx5 s HIS 3140Cb -0.24 -3.15 0.00 0.00 -1.43 0.00 0.00 32.58 27.77 1mx5 s HIS 3140CO -0.02 -3.74 0.00 0.41 -2.00 0.00 0.00 174.74 169.39 1mx5 n GLY 3141N 0.83 3.24 0.00 -1.38 0.00 -1.23 -3.13 105.19 103.52 1mx5 n GLY 3141Ca 0.05 -2.16 0.00 0.00 0.00 0.00 0.00 46.02 43.91 1mx5 n GLY 3141CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mx5 n GLY 3142N 5.00 0.37 2.19 -0.02 0.00 -1.25 -4.24 105.19 107.24 1mx5 n GLY 3142Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 1mx5 n GLY 3142CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mx5 n GLY 3143N 0.00 1.16 2.79 -0.02 0.00 -1.26 -0.60 105.19 107.26 1mx5 n GLY 3143Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1mx5 n GLY 3143CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1mx5 n LEU 3144N -1.65 0.59 -0.07 0.99 4.77 -1.26 -4.78 117.00 115.59 1mx5 n LEU 3144Ca -0.12 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.79 1mx5 n LEU 3144Cb 0.45 -1.51 -0.09 0.00 -2.33 0.00 0.00 43.42 39.93 1mx5 n LEU 3144CO 0.19 -0.53 -0.93 0.23 -1.33 0.00 0.00 177.39 175.01 1mx5 n MET 3145N -0.92 1.64 -4.15 3.23 2.81 0.23 0.23 117.12 120.19 1mx5 n MET 3145Ca 0.00 0.01 -0.18 0.00 -1.81 0.00 0.00 57.70 55.73 1mx5 n MET 3145Cb 0.23 -1.32 -0.06 0.00 -0.71 0.00 0.00 33.22 31.36 1mx5 n MET 3145CO 0.00 0.00 0.00 1.33 1.51 0.00 0.00 175.97 178.81 1mx5 n VAL 3146N -2.57 0.00 0.00 2.03 0.24 0.00 -4.25 118.33 113.79 1mx5 n VAL 3146Ca -0.22 -2.19 0.00 0.00 -2.04 0.00 0.00 64.34 59.89 1mx5 n VAL 3146Cb 0.89 1.18 0.00 0.00 -1.47 0.00 0.00 33.84 34.44 1mx5 n VAL 3146CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1mx5 n GLY 3147N -0.62 3.03 3.32 7.63 0.00 -1.26 -3.93 105.19 113.37 1mx5 n GLY 3147Ca 0.05 -2.03 -0.11 0.00 0.00 0.00 0.00 46.02 43.93 1mx5 n GLY 3147CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mx5 s ALA 3148N -2.63 -0.99 0.06 4.61 0.00 -1.26 -4.63 121.76 116.91 1mx5 s ALA 3148Ca 0.00 0.09 -0.13 0.00 0.00 0.00 0.00 51.96 51.92 1mx5 s ALA 3148Cb 0.00 0.60 -0.30 0.00 0.00 0.00 0.00 23.12 23.43 1mx5 s ALA 3148CO 0.00 -0.60 1.09 0.00 0.00 0.00 0.00 175.76 176.25 1mx5 h ALA 3149N 2.52 -0.02 0.00 0.00 0.00 -1.91 -3.27 119.26 116.58 1mx5 h ALA 3149Ca -0.33 -0.81 0.00 0.00 0.00 0.00 0.00 54.91 53.77 1mx5 h ALA 3149Cb 1.24 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1mx5 h ALA 3149CO 0.45 0.74 0.00 0.43 0.00 0.00 0.00 179.25 180.87 1mx5 n SER 3150N -3.73 0.08 0.06 0.00 7.64 -1.26 -2.03 113.62 114.37 1mx5 n SER 3150Ca -0.14 0.54 -0.02 0.00 1.01 0.00 0.00 58.87 60.26 1mx5 n SER 3150Cb 1.02 -0.55 0.24 0.00 -1.01 0.00 0.00 64.21 63.91 1mx5 n SER 3150CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 1mx5 h THR 3151N 0.00 1.27 -3.57 0.44 2.02 -1.94 -3.42 112.91 107.70 1mx5 h THR 3151Ca 0.00 -1.27 -0.71 0.00 0.77 0.00 0.00 66.41 65.20 1mx5 h THR 3151Cb 0.01 1.43 -0.24 0.00 -1.74 0.00 0.00 68.15 67.61 1mx5 h THR 3151CO 0.00 0.39 -0.50 -0.31 0.37 0.00 0.00 175.52 175.47 1mx5 s TYR 3152N -4.42 3.24 -0.38 3.16 1.51 -0.86 -3.97 117.35 115.62 1mx5 s TYR 3152Ca -0.06 -0.85 -0.26 0.00 -1.01 0.00 0.00 57.07 54.88 1mx5 s TYR 3152Cb 0.14 -2.47 0.02 0.00 -0.11 0.00 0.00 41.96 39.54 1mx5 s TYR 3152CO 0.77 -0.62 0.95 0.34 -1.11 0.00 0.00 175.55 175.89 1mx5 s ASP 3153N 1.58 6.68 0.00 2.29 3.68 -1.26 -4.92 116.67 124.72 1mx5 s ASP 3153Ca 0.03 0.56 0.30 0.00 2.13 0.00 0.00 52.55 55.57 1mx5 s ASP 3153Cb -0.19 -2.47 1.45 0.00 -1.45 0.00 0.00 42.92 40.25 1mx5 s ASP 3153CO 0.07 -0.91 1.97 0.61 0.13 0.00 0.00 175.17 177.05 1mx5 n GLY 3154N 4.43 -0.55 0.28 2.66 0.00 -1.26 -4.46 105.19 106.29 1mx5 n GLY 3154Ca 0.08 -0.32 -0.08 0.00 0.00 0.00 0.00 46.02 45.70 1mx5 n GLY 3154CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1mx5 h LEU 3155N 1.11 -1.29 -0.12 0.99 6.46 -1.93 -0.31 115.31 120.23 1mx5 h LEU 3155Ca 0.00 0.18 0.04 0.00 -0.12 0.00 0.00 57.88 57.98 1mx5 h LEU 3155Cb 0.26 0.55 -0.04 0.00 -0.73 0.00 0.00 40.66 40.71 1mx5 h LEU 3155CO 0.00 -0.20 -0.11 0.00 -0.62 0.00 0.00 178.44 177.51 1mx5 h ALA 3156N -0.27 -0.02 -0.58 1.25 0.00 -1.85 -1.46 119.26 116.34 1mx5 h ALA 3156Ca 0.07 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1mx5 h ALA 3156Cb 0.32 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 1mx5 h ALA 3156CO -0.49 -0.57 0.38 1.25 0.00 0.00 0.00 179.25 179.82 1mx5 h LEU 3157N -0.13 0.68 0.61 0.00 5.85 -1.75 0.11 115.31 120.67 1mx5 h LEU 3157Ca 0.08 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.75 1mx5 h LEU 3157Cb 0.25 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 1mx5 h LEU 3157CO -0.20 0.51 -0.41 0.00 -0.34 0.00 0.00 178.44 178.00 1mx5 h ALA 3158N 1.20 -1.01 -0.47 1.25 0.00 -0.80 -1.93 119.26 117.51 1mx5 h ALA 3158Ca 0.21 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1mx5 h ALA 3158Cb -0.07 0.52 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1mx5 h ALA 3158CO -0.04 -1.09 0.26 0.00 0.00 0.00 0.00 179.25 178.38 1mx5 h ALA 3159N -0.71 0.60 -0.32 0.00 0.00 -1.16 0.11 119.26 117.78 1mx5 h ALA 3159Ca -0.07 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.64 1mx5 h ALA 3159Cb 0.80 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1mx5 h ALA 3159CO 0.05 0.12 -0.26 0.45 0.00 0.00 0.00 179.25 179.61 1mx5 h HIS 3160N 0.62 0.73 -0.10 0.00 -0.00 -0.97 -3.28 115.15 112.15 1mx5 h HIS 3160Ca 0.16 -0.17 0.00 0.00 -0.00 0.00 0.00 60.37 60.36 1mx5 h HIS 3160Cb 0.05 -0.17 0.00 0.00 -0.00 0.00 0.00 27.41 27.29 1mx5 h HIS 3160CO -0.02 0.84 0.00 0.39 -0.00 0.00 0.00 177.93 179.14 1mx5 n GLU 3161N -4.10 2.29 -4.02 2.45 -0.58 -0.73 -5.00 120.64 110.95 1mx5 n GLU 3161Ca -0.00 -2.27 -0.30 0.00 -0.42 0.00 0.00 57.16 54.17 1mx5 n GLU 3161Cb 0.44 -1.40 -0.03 0.00 -0.57 0.00 0.00 31.44 29.88 1mx5 n GLU 3161CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1mx5 n ASN 3162N -0.74 -1.16 -4.19 1.62 4.05 -0.01 -4.98 115.26 109.85 1mx5 n ASN 3162Ca 0.12 -1.11 -0.16 0.00 0.45 0.00 0.00 54.58 53.88 1mx5 n ASN 3162Cb 0.56 -2.59 -0.11 0.00 1.23 0.00 0.00 39.78 38.86 1mx5 n ASN 3162CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 177.26 174.89 1mx5 s VAL 3163N -3.94 1.06 -0.16 3.44 -7.23 -1.02 -4.55 120.40 108.01 1mx5 s VAL 3163Ca 0.13 -1.57 -0.22 0.00 -1.81 0.00 0.00 61.98 58.51 1mx5 s VAL 3163Cb -0.06 -1.31 -0.03 0.00 0.56 0.00 0.00 36.38 35.54 1mx5 s VAL 3163CO 0.92 -0.44 0.66 -0.69 -0.31 0.00 0.00 175.10 175.24 1mx5 s VAL 3164N -2.08 5.02 -0.18 1.32 1.01 -0.55 -4.20 120.40 120.75 1mx5 s VAL 3164Ca 0.04 1.29 -0.06 0.00 0.00 0.00 0.00 61.98 63.25 1mx5 s VAL 3164Cb -0.05 -3.99 -0.04 0.00 0.00 0.00 0.00 36.38 32.31 1mx5 s VAL 3164CO 0.01 0.15 0.03 -0.69 0.00 0.00 0.00 175.10 174.60 1mx5 s VAL 3165N 1.59 4.50 -0.16 2.92 1.01 -0.24 -0.75 120.40 129.27 1mx5 s VAL 3165Ca 0.32 -0.14 0.01 0.00 0.00 0.00 0.00 61.98 62.17 1mx5 s VAL 3165Cb -0.16 -3.01 0.02 0.00 0.00 0.00 0.00 36.38 33.22 1mx5 s VAL 3165CO 0.12 0.47 -0.16 -0.69 0.00 0.00 0.00 175.10 174.84 1mx5 s VAL 3166N 0.39 1.76 -0.21 2.92 1.01 0.02 -0.77 120.40 125.52 1mx5 s VAL 3166Ca 0.01 -0.75 -0.07 0.00 0.00 0.00 0.00 61.98 61.17 1mx5 s VAL 3166Cb -0.13 -1.62 -0.03 0.00 0.00 0.00 0.00 36.38 34.60 1mx5 s VAL 3166CO 0.01 0.49 0.05 0.42 0.00 0.00 0.00 175.10 176.07 1mx5 s THR 3167N 1.40 4.38 0.29 3.92 -4.23 -0.38 0.12 115.64 121.13 1mx5 s THR 3167Ca 0.05 -0.16 0.09 0.00 -1.18 0.00 0.00 61.69 60.49 1mx5 s THR 3167Cb -0.13 -3.01 -0.04 0.00 1.34 0.00 0.00 72.50 70.66 1mx5 s THR 3167CO -0.11 0.40 0.03 0.27 -0.54 0.00 0.00 174.62 174.67 1mx5 s ILE 3168N 1.04 3.31 0.21 2.99 -4.36 -0.87 -0.82 121.20 122.70 1mx5 s ILE 3168Ca 0.03 -1.86 0.11 0.00 -0.26 0.00 0.00 60.65 58.67 1mx5 s ILE 3168Cb -0.14 -2.88 -0.05 0.00 1.25 0.00 0.00 42.46 40.64 1mx5 s ILE 3168CO 0.03 -0.32 -0.21 -1.10 0.24 0.00 0.00 174.94 173.57 1mx5 s GLN 3169N -3.72 1.51 -0.02 0.37 -0.21 -0.96 -4.34 119.66 112.29 1mx5 s GLN 3169Ca 0.33 -1.58 -0.17 0.00 0.02 0.00 0.00 55.36 53.97 1mx5 s GLN 3169Cb -0.05 -1.70 0.03 0.00 1.00 0.00 0.00 33.01 32.29 1mx5 s GLN 3169CO 0.21 0.35 0.36 1.52 -2.12 0.00 0.00 175.29 175.60 1mx5 s TYR 3170N -2.03 -0.24 0.26 0.91 1.13 -1.26 -4.64 117.35 111.49 1mx5 s TYR 3170Ca 0.23 0.36 -0.30 0.00 -1.41 0.00 0.00 57.07 55.95 1mx5 s TYR 3170Cb -0.06 0.14 -0.13 0.00 -1.10 0.00 0.00 41.96 40.80 1mx5 s TYR 3170CO 0.11 -0.42 1.39 0.54 -2.51 0.00 0.00 175.55 174.65 1mx5 n ARG 3171N 1.20 2.09 -4.09 -3.49 1.74 -1.26 -4.87 116.66 107.98 1mx5 n ARG 3171Ca -0.21 0.74 -0.24 0.00 -0.77 0.00 0.00 57.85 57.37 1mx5 n ARG 3171Cb 0.56 -2.39 -0.07 0.00 -1.02 0.00 0.00 32.46 29.55 1mx5 n ARG 3171CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1mx5 s LEU 3172N -0.17 3.16 0.00 0.55 1.43 -1.26 -4.01 118.68 118.38 1mx5 s LEU 3172Ca 0.65 -0.97 0.00 0.00 -1.03 0.00 0.00 54.13 52.78 1mx5 s LEU 3172Cb -0.62 -1.56 0.00 0.00 0.03 0.00 0.00 46.19 44.04 1mx5 s LEU 3172CO 0.52 -0.46 0.00 0.61 0.23 0.00 0.00 176.35 177.25 1mx5 n GLY 3173N -1.21 2.96 0.10 -3.19 0.00 0.13 -1.32 105.19 102.66 1mx5 n GLY 3173Ca -0.01 -0.02 -0.11 0.00 0.00 0.00 0.00 46.02 45.88 1mx5 n GLY 3173CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1mx5 h ILE 3174N 0.00 1.10 -0.88 -0.61 2.04 -1.94 0.28 117.51 117.51 1mx5 h ILE 3174Ca 0.00 -0.27 0.13 0.00 1.00 0.00 0.00 64.86 65.72 1mx5 h ILE 3174Cb 0.00 0.96 -0.09 0.00 -0.74 0.00 0.00 36.82 36.95 1mx5 h ILE 3174CO 0.00 0.09 0.49 -0.50 0.00 0.00 0.00 178.15 178.24 1mx5 h TRP 3175N 0.18 0.88 0.00 1.37 6.55 -1.80 -1.56 115.95 121.57 1mx5 h TRP 3175Ca 0.06 0.03 0.00 0.00 0.95 0.00 0.00 58.89 59.93 1mx5 h TRP 3175Cb 0.07 -0.26 0.00 0.00 -0.86 0.00 0.00 29.16 28.11 1mx5 h TRP 3175CO -0.04 0.27 -1.03 0.41 -1.05 0.00 0.00 178.44 177.00 1mx5 n GLY 3176N -1.33 -0.91 0.00 1.49 0.00 -0.44 -4.51 105.19 99.51 1mx5 n GLY 3176Ca 0.17 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.62 1mx5 n GLY 3176CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1mx5 n PHE 3177N -1.54 0.00 -1.76 1.61 3.72 0.08 -0.99 117.46 118.58 1mx5 n PHE 3177Ca 0.03 -0.06 -0.42 0.00 -0.05 0.00 0.00 57.45 56.95 1mx5 n PHE 3177Cb 0.33 -0.01 -0.03 0.00 -0.94 0.00 0.00 39.48 38.84 1mx5 n PHE 3177CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 176.76 176.83 1mx5 s PHE 3178N -0.12 2.86 -0.04 1.38 2.19 -0.60 -4.53 117.98 119.12 1mx5 s PHE 3178Ca 0.00 0.50 -0.03 0.00 0.33 0.00 0.00 56.93 57.73 1mx5 s PHE 3178Cb 0.00 -4.11 0.01 0.00 -1.31 0.00 0.00 43.02 37.61 1mx5 s PHE 3178CO 0.00 -4.04 0.10 0.45 1.83 0.00 0.00 175.22 173.56 1mx5 s SER 3179N 0.95 -0.10 0.00 6.13 0.15 -1.26 -4.10 113.70 115.46 1mx5 s SER 3179Ca 0.71 0.20 0.23 0.00 0.70 0.00 0.00 55.95 57.79 1mx5 s SER 3179Cb -0.49 0.19 0.10 0.00 -1.71 0.00 0.00 66.02 64.12 1mx5 s SER 3179CO 0.37 -0.04 1.17 0.35 1.20 0.00 0.00 173.24 176.29 1mx5 n THR 3180N 3.11 0.00 -1.00 6.45 -2.24 -0.64 -4.34 114.28 115.61 1mx5 n THR 3180Ca -0.13 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 1mx5 n THR 3180Cb 0.59 1.25 0.00 0.00 -2.10 0.00 0.00 70.33 70.07 1mx5 n THR 3180CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mx5 n GLY 3181N 1.39 0.50 0.21 3.38 0.00 -1.25 -4.35 105.19 105.07 1mx5 n GLY 3181Ca 0.11 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.12 1mx5 n GLY 3181CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1mx5 n ASP 3182N -0.00 -0.07 0.00 1.61 3.85 -1.26 -5.03 116.55 115.65 1mx5 n ASP 3182Ca 0.00 -1.13 0.07 0.00 -0.71 0.00 0.00 54.79 53.02 1mx5 n ASP 3182Cb 0.00 0.13 0.29 0.00 -1.35 0.00 0.00 41.12 40.20 1mx5 n ASP 3182CO 0.00 0.00 0.00 -1.84 -1.01 0.00 0.00 177.20 174.35 1mx5 n GLU 3183N -0.04 0.01 0.01 0.11 0.00 -1.26 -2.02 120.64 117.46 1mx5 n GLU 3183Ca 0.00 0.26 0.13 0.00 0.00 0.00 0.00 57.16 57.56 1mx5 n GLU 3183Cb 0.04 -1.50 0.50 0.00 0.00 0.00 0.00 31.44 30.47 1mx5 n GLU 3183CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 1mx5 n HIS 3184N -1.49 0.11 -2.66 -1.84 8.25 -1.26 -4.52 115.22 111.81 1mx5 n HIS 3184Ca 0.03 0.03 -0.04 0.00 -0.26 0.00 0.00 57.72 57.49 1mx5 n HIS 3184Cb 0.16 -0.49 0.05 0.00 1.12 0.00 0.00 29.99 30.83 1mx5 n HIS 3184CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1mx5 n SER 3185N -1.59 -1.23 -0.10 0.41 2.88 -1.05 -4.91 113.62 108.02 1mx5 n SER 3185Ca 0.06 -1.04 -0.05 0.00 -1.33 0.00 0.00 58.87 56.51 1mx5 n SER 3185Cb 0.35 0.63 0.02 0.00 -0.75 0.00 0.00 64.21 64.46 1mx5 n SER 3185CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1mx5 h ARG 3186N 3.78 0.15 0.00 -1.46 3.08 -1.64 -1.71 114.38 116.58 1mx5 h ARG 3186Ca -0.08 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.96 1mx5 h ARG 3186Cb 1.19 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.20 1mx5 h ARG 3186CO -0.16 0.10 0.00 0.41 -1.07 0.00 0.00 179.97 179.25 1mx5 n GLY 3187N -1.24 -0.52 2.49 0.04 0.00 -1.26 -4.55 105.19 100.15 1mx5 n GLY 3187Ca 0.02 -2.20 -0.18 0.00 0.00 0.00 0.00 46.02 43.65 1mx5 n GLY 3187CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1mx5 n ASN 3188N 0.00 -5.22 -0.26 1.61 3.02 -1.26 -4.89 115.26 108.26 1mx5 n ASN 3188Ca 0.00 0.36 0.05 0.00 -0.03 0.00 0.00 54.58 54.96 1mx5 n ASN 3188Cb 0.00 -4.31 0.19 0.00 -0.61 0.00 0.00 39.78 35.05 1mx5 n ASN 3188CO 0.00 0.00 0.00 -0.50 -2.62 0.00 0.00 177.26 174.14 1mx5 h TRP 3189N 0.00 0.58 -0.32 3.10 -0.00 -1.56 -0.05 115.95 117.70 1mx5 h TRP 3189Ca -0.39 0.03 -0.03 0.00 -0.00 0.00 0.00 58.89 58.51 1mx5 h TRP 3189Cb 1.21 -0.14 -0.02 0.00 -0.00 0.00 0.00 29.16 30.22 1mx5 h TRP 3189CO 0.51 0.11 0.07 0.78 -0.00 0.00 0.00 178.44 179.90 1mx5 h GLY 3190N 0.50 0.50 1.43 1.49 0.00 -1.21 -1.05 103.07 104.73 1mx5 h GLY 3190Ca 0.42 -0.26 -0.16 0.00 0.00 0.00 0.00 47.33 47.33 1mx5 h GLY 3190CO -0.38 0.24 -0.53 0.45 0.00 0.00 0.00 176.54 176.33 1mx5 h HIS 3191N 0.46 0.75 -0.02 5.60 3.86 -1.30 -1.50 115.15 122.99 1mx5 h HIS 3191Ca 0.11 -0.26 -0.08 0.00 -1.16 0.00 0.00 60.37 58.98 1mx5 h HIS 3191Cb 0.20 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 28.52 1mx5 h HIS 3191CO 0.01 1.00 -0.35 -0.07 0.86 0.00 0.00 177.93 179.37 1mx5 h LEU 3192N 0.47 0.05 -0.17 2.43 3.38 -0.76 -0.90 115.31 119.81 1mx5 h LEU 3192Ca 0.01 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1mx5 h LEU 3192Cb 1.07 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 1mx5 h LEU 3192CO 0.10 0.40 -0.05 0.44 0.09 0.00 0.00 178.44 179.42 1mx5 h ASP 3193N 0.04 0.33 -0.52 -0.43 3.32 -0.84 -0.81 116.42 117.52 1mx5 h ASP 3193Ca 0.00 -0.38 0.07 0.00 0.02 0.00 0.00 57.03 56.75 1mx5 h ASP 3193Cb 0.65 -0.09 -0.06 0.00 0.22 0.00 0.00 39.33 40.05 1mx5 h ASP 3193CO 0.05 0.63 0.20 1.56 -1.72 0.00 0.00 179.24 179.96 1mx5 h GLN 3194N 0.03 0.37 -0.58 3.56 4.20 -0.66 0.72 115.11 122.75 1mx5 h GLN 3194Ca 0.04 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 1mx5 h GLN 3194Cb 0.49 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.16 1mx5 h GLN 3194CO 0.02 0.25 0.31 0.28 -0.67 0.00 0.00 178.83 179.01 1mx5 h VAL 3195N 0.38 1.19 -0.06 -0.54 2.07 -1.03 -1.88 116.25 116.40 1mx5 h VAL 3195Ca 0.25 -0.50 -0.02 0.00 0.82 0.00 0.00 66.70 67.24 1mx5 h VAL 3195Cb 0.26 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 1mx5 h VAL 3195CO -0.24 0.21 -0.06 0.00 0.02 0.00 0.00 177.57 177.50 1mx5 h ALA 3196N 1.14 1.81 -0.22 1.67 0.00 -0.05 0.97 119.26 124.58 1mx5 h ALA 3196Ca 0.20 -0.09 -0.15 0.00 0.00 0.00 0.00 54.91 54.88 1mx5 h ALA 3196Cb 0.06 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1mx5 h ALA 3196CO -0.03 0.15 -0.48 0.00 0.00 0.00 0.00 179.25 178.89 1mx5 h ALA 3197N 1.87 0.76 -0.51 0.00 0.00 -0.28 -0.97 119.26 120.12 1mx5 h ALA 3197Ca 0.02 -0.48 -0.11 0.00 0.00 0.00 0.00 54.91 54.34 1mx5 h ALA 3197Cb 0.15 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1mx5 h ALA 3197CO 0.01 0.67 -0.12 -0.07 0.00 0.00 0.00 179.25 179.74 1mx5 h LEU 3198N 0.46 0.96 -0.35 0.00 3.38 -0.14 -1.37 115.31 118.25 1mx5 h LEU 3198Ca 0.02 -0.31 -0.02 0.00 0.09 0.00 0.00 57.88 57.66 1mx5 h LEU 3198Cb 1.00 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 1mx5 h LEU 3198CO 0.09 1.08 0.15 0.03 0.09 0.00 0.00 178.44 179.88 1mx5 h ARG 3199N 0.85 0.52 -0.40 1.13 3.08 -0.72 -1.80 114.38 117.04 1mx5 h ARG 3199Ca 0.13 -0.09 0.06 0.00 0.07 0.00 0.00 59.98 60.15 1mx5 h ARG 3199Cb 0.66 -0.09 -0.05 0.00 0.08 0.00 0.00 29.97 30.57 1mx5 h ARG 3199CO 0.05 0.49 0.11 2.35 -1.07 0.00 0.00 179.97 181.90 1mx5 h TRP 3200N 0.43 0.19 -0.94 3.04 7.01 -0.94 -1.43 115.95 123.31 1mx5 h TRP 3200Ca 0.12 0.02 0.07 0.00 2.11 0.00 0.00 58.89 61.21 1mx5 h TRP 3200Cb 0.16 -0.02 -0.06 0.00 -2.10 0.00 0.00 29.16 27.13 1mx5 h TRP 3200CO -0.01 0.05 0.61 0.28 -2.79 0.00 0.00 178.44 176.58 1mx5 h VAL 3201N 0.25 1.05 -0.30 2.65 2.07 -0.95 -0.64 116.25 120.39 1mx5 h VAL 3201Ca 0.19 -0.36 -0.08 0.00 0.82 0.00 0.00 66.70 67.28 1mx5 h VAL 3201Cb 0.21 -0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 29.87 1mx5 h VAL 3201CO -0.23 0.19 -0.14 -0.61 0.02 0.00 0.00 177.57 176.81 1mx5 h GLN 3202N 1.05 0.52 0.00 1.57 4.15 -0.40 -0.09 115.11 121.91 1mx5 h GLN 3202Ca 0.41 -0.16 0.00 0.00 0.77 0.00 0.00 58.65 59.67 1mx5 h GLN 3202Cb 0.23 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.87 1mx5 h GLN 3202CO -0.16 0.65 -0.56 -0.25 -1.93 0.00 0.00 178.83 176.57 1mx5 n ASP 3203N -4.19 0.62 0.00 -0.69 8.00 -0.65 -4.62 116.55 115.02 1mx5 n ASP 3203Ca 0.01 0.05 0.00 0.00 0.71 0.00 0.00 54.79 55.56 1mx5 n ASP 3203Cb 0.34 0.14 0.00 0.00 -0.02 0.00 0.00 41.12 41.58 1mx5 n ASP 3203CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1mx5 n ASN 3204N -1.94 2.13 0.03 -2.24 3.02 -0.34 -4.70 115.26 111.22 1mx5 n ASN 3204Ca 0.04 0.00 0.21 0.00 -0.03 0.00 0.00 54.58 54.80 1mx5 n ASN 3204Cb 0.41 0.38 0.73 0.00 -0.61 0.00 0.00 39.78 40.69 1mx5 n ASN 3204CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 1mx5 h ILE 3205N 0.00 0.54 -0.88 2.41 6.09 -1.20 -1.75 117.51 122.72 1mx5 h ILE 3205Ca 0.00 0.00 0.03 0.00 -1.37 0.00 0.00 64.86 63.52 1mx5 h ILE 3205Cb 0.09 0.68 -0.05 0.00 0.47 0.00 0.00 36.82 38.02 1mx5 h ILE 3205CO 0.00 0.00 0.58 0.00 -3.07 0.00 0.00 178.15 175.66 1mx5 h ALA 3206N 1.62 1.44 0.00 0.18 0.00 -1.80 0.33 119.26 121.02 1mx5 h ALA 3206Ca 0.24 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1mx5 h ALA 3206Cb 1.09 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1mx5 h ALA 3206CO -0.00 0.48 0.00 -1.13 0.00 0.00 0.00 179.25 178.60 1mx5 n SER 3207N -4.44 0.00 -0.11 0.00 3.41 -0.66 -1.79 113.62 110.04 1mx5 n SER 3207Ca 0.11 -0.90 0.02 0.00 -0.26 0.00 0.00 58.87 57.84 1mx5 n SER 3207Cb 0.09 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.08 1mx5 n SER 3207CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1mx5 n PHE 3208N -0.77 0.08 -0.24 7.33 3.01 0.07 -4.76 117.46 122.18 1mx5 n PHE 3208Ca 0.08 -0.56 0.00 0.00 1.01 0.00 0.00 57.45 57.98 1mx5 n PHE 3208Cb 0.04 -0.06 0.00 0.00 -0.01 0.00 0.00 39.48 39.44 1mx5 n PHE 3208CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1mx5 n GLY 3209N -0.47 0.80 3.94 1.37 0.00 -0.74 -4.77 105.19 105.33 1mx5 n GLY 3209Ca 0.04 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.82 1mx5 n GLY 3209CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1mx5 s GLY 3210N -1.57 1.42 -0.45 -0.02 0.00 -0.99 0.35 107.32 106.07 1mx5 s GLY 3210Ca 0.00 -0.93 -0.16 0.00 0.00 0.00 0.00 44.72 43.63 1mx5 s GLY 3210CO 0.00 -0.83 0.40 0.21 0.00 0.00 0.00 173.10 172.88 1mx5 s ASN 3211N -4.10 6.15 0.63 1.64 2.47 0.17 -3.66 114.94 118.25 1mx5 s ASN 3211Ca 0.43 -1.08 0.31 0.00 0.42 0.00 0.00 52.86 52.94 1mx5 s ASN 3211Cb -0.10 -2.20 1.71 0.00 -1.45 0.00 0.00 41.25 39.22 1mx5 s ASN 3211CO 0.37 -0.61 2.02 1.55 -3.72 0.00 0.00 177.10 176.71 1mx5 h PRO 3212N 8.75 0.00 -0.16 0.43 0.13 -1.89 0.17 132.00 139.42 1mx5 h PRO 3212Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1mx5 h PRO 3212Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1mx5 h PRO 3212CO 0.84 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 179.02 1mx5 n GLY 3213N -1.30 0.01 2.21 1.56 0.00 -1.26 -4.35 105.19 102.07 1mx5 n GLY 3213Ca 0.01 -0.32 -0.24 0.00 0.00 0.00 0.00 46.02 45.47 1mx5 n GLY 3213CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1mx5 n SER 3214N 0.09 0.21 -4.46 1.61 2.88 0.59 -4.91 113.62 109.63 1mx5 n SER 3214Ca 0.13 -2.68 -0.35 0.00 -1.33 0.00 0.00 58.87 54.64 1mx5 n SER 3214Cb 0.24 -0.63 -0.12 0.00 -0.75 0.00 0.00 64.21 62.95 1mx5 n SER 3214CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1mx5 s VAL 3215N -1.11 4.11 -0.19 2.46 1.01 -1.26 -0.60 120.40 124.82 1mx5 s VAL 3215Ca 0.35 -0.25 -0.04 0.00 0.00 0.00 0.00 61.98 62.04 1mx5 s VAL 3215Cb 0.16 -2.88 -0.02 0.00 0.00 0.00 0.00 36.38 33.64 1mx5 s VAL 3215CO -0.11 0.40 -0.04 -0.89 0.00 0.00 0.00 175.10 174.46 1mx5 s THR 3216N 1.14 3.63 -0.15 3.92 2.01 0.27 0.11 115.64 126.57 1mx5 s THR 3216Ca 0.03 -0.43 -0.11 0.00 0.31 0.00 0.00 61.69 61.49 1mx5 s THR 3216Cb -0.14 -2.62 -0.05 0.00 0.01 0.00 0.00 72.50 69.70 1mx5 s THR 3216CO 0.02 0.45 0.22 0.27 -0.69 0.00 0.00 174.62 174.90 1mx5 s ILE 3217N 0.92 5.35 0.03 1.82 -4.36 -0.25 -0.44 121.20 124.27 1mx5 s ILE 3217Ca -0.00 0.40 -0.13 0.00 -0.26 0.00 0.00 60.65 60.66 1mx5 s ILE 3217Cb -0.15 -3.55 0.02 0.00 1.25 0.00 0.00 42.46 40.03 1mx5 s ILE 3217CO 0.01 0.46 0.27 0.72 0.24 0.00 0.00 174.94 176.65 1mx5 s PHE 3218N 0.03 -0.07 0.02 1.37 -0.71 -0.43 -1.06 117.98 117.14 1mx5 s PHE 3218Ca 0.14 -0.06 -0.28 0.00 -1.04 0.00 0.00 56.93 55.69 1mx5 s PHE 3218Cb -0.12 0.06 0.10 0.00 -1.21 0.00 0.00 43.02 41.85 1mx5 s PHE 3218CO 0.03 -0.46 1.23 0.20 -1.34 0.00 0.00 175.22 174.88 1mx5 s GLY 3219N -1.96 -0.26 0.13 1.99 0.00 -1.02 -0.78 107.32 105.42 1mx5 s GLY 3219Ca -0.06 0.35 0.06 0.00 0.00 0.00 0.00 44.72 45.07 1mx5 s GLY 3219CO -0.02 1.91 -0.14 -1.83 0.00 0.00 0.00 173.10 173.02 1mx5 s GLU 3220N -2.35 1.07 7.55 2.90 4.04 -1.23 -0.74 118.70 129.94 1mx5 s GLU 3220Ca 0.19 -1.29 0.00 0.00 0.04 0.00 0.00 54.97 53.92 1mx5 s GLU 3220Cb 0.02 -0.95 0.00 0.00 0.02 0.00 0.00 34.13 33.22 1mx5 s GLU 3220CO -0.01 0.18 0.00 0.45 -1.84 0.00 0.00 175.26 174.04 1mx5 n SER 3221N 0.43 0.00 0.04 0.83 2.88 0.04 -0.30 113.62 117.54 1mx5 n SER 3221Ca -0.15 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.51 1mx5 n SER 3221Cb 0.57 0.00 0.57 0.00 -0.75 0.00 0.00 64.21 64.61 1mx5 n SER 3221CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1mx5 h ALA 3222N -0.94 2.09 -0.23 -1.46 0.00 -1.86 0.43 119.26 117.29 1mx5 h ALA 3222Ca 0.00 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 1mx5 h ALA 3222Cb 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1mx5 h ALA 3222CO 0.00 -0.18 -0.24 0.78 0.00 0.00 0.00 179.25 179.62 1mx5 h GLY 3223N 0.22 0.46 1.03 0.00 0.00 -0.60 0.21 103.07 104.39 1mx5 h GLY 3223Ca 0.18 -0.36 -0.17 0.00 0.00 0.00 0.00 47.33 46.98 1mx5 h GLY 3223CO -0.03 0.33 -0.53 -1.33 0.00 0.00 0.00 176.54 174.98 1mx5 h GLY 3224N 1.00 0.77 1.75 4.60 0.00 -0.08 -1.72 103.07 109.39 1mx5 h GLY 3224Ca 0.06 -0.98 -0.03 0.00 0.00 0.00 0.00 47.33 46.39 1mx5 h GLY 3224CO 0.04 0.87 0.01 -2.09 0.00 0.00 0.00 176.54 175.38 1mx5 h GLU 3225N 0.41 0.32 -0.15 4.80 4.22 -0.17 0.45 114.58 124.46 1mx5 h GLU 3225Ca -0.01 -0.05 -0.05 0.00 0.08 0.00 0.00 59.36 59.34 1mx5 h GLU 3225Cb 1.15 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.34 1mx5 h GLU 3225CO 0.11 0.34 -0.08 0.77 -2.18 0.00 0.00 179.01 177.97 1mx5 h SER 3226N 0.32 0.34 -0.44 1.04 0.02 -0.37 0.12 113.55 114.58 1mx5 h SER 3226Ca 0.07 -0.42 0.04 0.00 -0.84 0.00 0.00 61.79 60.65 1mx5 h SER 3226Cb 0.19 -0.09 -0.04 0.00 0.14 0.00 0.00 62.40 62.60 1mx5 h SER 3226CO 0.00 0.69 0.20 0.58 -1.14 0.00 0.00 176.83 177.16 1mx5 h VAL 3227N -0.01 0.93 -0.73 2.27 2.07 -0.73 0.39 116.25 120.45 1mx5 h VAL 3227Ca 0.03 -0.14 0.03 0.00 0.82 0.00 0.00 66.70 67.45 1mx5 h VAL 3227Cb 0.56 0.50 -0.05 0.00 -1.52 0.00 0.00 31.29 30.78 1mx5 h VAL 3227CO 0.02 0.07 0.46 -1.28 0.02 0.00 0.00 177.57 176.86 1mx5 h SER 3228N 0.40 0.75 -0.11 0.57 0.87 -0.78 -0.35 113.55 114.89 1mx5 h SER 3228Ca 0.20 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.73 1mx5 h SER 3228Cb 0.14 -0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 61.93 1mx5 h SER 3228CO -0.16 0.51 -0.04 0.58 -0.53 0.00 0.00 176.83 177.19 1mx5 h VAL 3229N 0.89 1.30 -0.73 2.23 2.07 0.17 -2.99 116.25 119.19 1mx5 h VAL 3229Ca 0.29 -1.02 0.08 0.00 0.82 0.00 0.00 66.70 66.87 1mx5 h VAL 3229Cb 0.03 1.75 -0.05 0.00 -1.52 0.00 0.00 31.29 31.49 1mx5 h VAL 3229CO -0.11 0.29 0.48 -0.07 0.02 0.00 0.00 177.57 178.18 1mx5 h LEU 3230N -0.11 0.61 -2.07 2.57 3.38 0.09 -0.04 115.31 119.75 1mx5 h LEU 3230Ca 0.03 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1mx5 h LEU 3230Cb 0.48 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 1mx5 h LEU 3230CO 0.01 0.38 -0.08 0.58 0.09 0.00 0.00 178.44 179.42 1mx5 h VAL 3231N 0.69 0.62 0.00 1.22 2.07 -0.92 -2.47 116.25 117.45 1mx5 h VAL 3231Ca 0.33 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.49 1mx5 h VAL 3231Cb 0.38 1.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.38 1mx5 h VAL 3231CO -0.11 0.08 -1.20 0.18 0.02 0.00 0.00 177.57 176.53 1mx5 n LEU 3232N -3.79 0.66 -4.70 2.57 4.77 -0.12 -4.75 117.00 111.64 1mx5 n LEU 3232Ca -0.02 -0.25 -0.40 0.00 -0.03 0.00 0.00 56.01 55.30 1mx5 n LEU 3232Cb 0.18 -0.04 -0.04 0.00 -2.33 0.00 0.00 43.42 41.19 1mx5 n LEU 3232CO 0.30 0.14 0.49 -0.55 -1.33 0.00 0.00 177.39 176.44 1mx5 s SER 3233N -3.55 6.99 0.00 -1.43 0.15 -0.64 -4.92 113.70 110.30 1mx5 s SER 3233Ca 0.04 1.21 0.11 0.00 0.70 0.00 0.00 55.95 58.00 1mx5 s SER 3233Cb 0.15 -2.44 0.55 0.00 -1.71 0.00 0.00 66.02 62.57 1mx5 s SER 3233CO 0.85 -0.23 1.25 -0.81 1.20 0.00 0.00 173.24 175.50 1mx5 n PRO 3234N 4.34 0.15 0.21 5.44 -0.04 -1.26 -2.34 135.00 141.50 1mx5 n PRO 3234Ca 0.01 0.19 0.10 0.00 -0.04 0.00 0.00 63.50 63.76 1mx5 n PRO 3234Cb 0.50 -1.50 0.22 0.00 -0.04 0.00 0.00 33.50 32.68 1mx5 n PRO 3234CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1mx5 h LEU 3235N 0.00 0.00 -2.97 1.53 3.38 -1.83 -3.25 115.31 112.18 1mx5 h LEU 3235Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1mx5 h LEU 3235Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1mx5 h LEU 3235CO 0.00 0.13 0.00 0.00 0.09 0.00 0.00 178.44 178.66 1mx5 n ALA 3236N -2.14 2.15 0.00 1.53 0.00 -0.99 -4.79 120.51 116.27 1mx5 n ALA 3236Ca 0.03 -1.23 0.00 0.00 0.00 0.00 0.00 53.44 52.24 1mx5 n ALA 3236Cb 0.54 -0.25 0.00 0.00 0.00 0.00 0.00 19.45 19.74 1mx5 n ALA 3236CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1mx5 n LYS 3237N -0.13 0.00 -0.67 0.00 2.85 -1.23 -1.06 118.16 117.92 1mx5 n LYS 3237Ca 0.07 0.02 -0.01 0.00 -1.05 0.00 0.00 58.31 57.34 1mx5 n LYS 3237Cb 0.38 -1.53 -0.01 0.00 -0.65 0.00 0.00 35.03 33.22 1mx5 n LYS 3237CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1mx5 n ASN 3238N -0.74 -0.12 -0.34 -5.58 3.02 -1.26 -4.91 115.26 105.32 1mx5 n ASN 3238Ca 0.00 -1.47 0.09 0.00 -0.03 0.00 0.00 54.58 53.17 1mx5 n ASN 3238Cb 0.03 -0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.18 1mx5 n ASN 3238CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1mx5 n LEU 3239N 0.04 1.59 -3.95 3.41 4.77 -0.22 -5.01 117.00 117.63 1mx5 n LEU 3239Ca -0.05 -0.72 -0.09 0.00 -0.03 0.00 0.00 56.01 55.11 1mx5 n LEU 3239Cb 0.63 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.66 1mx5 n LEU 3239CO -0.03 0.31 0.11 0.72 -1.33 0.00 0.00 177.39 177.17 1mx5 s PHE 3240N -2.14 0.33 0.00 -1.77 -0.71 -1.26 -4.85 117.98 107.58 1mx5 s PHE 3240Ca 0.13 -0.68 0.00 0.00 -1.04 0.00 0.00 56.93 55.34 1mx5 s PHE 3240Cb 0.14 0.11 0.00 0.00 -1.21 0.00 0.00 43.02 42.06 1mx5 s PHE 3240CO 0.49 -0.87 0.00 0.72 -1.34 0.00 0.00 175.22 174.21 1mx5 n HIS 3241N -0.31 0.00 -3.71 3.49 8.25 0.12 -4.92 115.22 118.13 1mx5 n HIS 3241Ca -0.05 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.27 1mx5 n HIS 3241Cb 0.63 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.65 1mx5 n HIS 3241CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1mx5 s ARG 3242N -0.57 0.65 0.02 -0.41 0.52 -1.18 -3.87 118.95 114.11 1mx5 s ARG 3242Ca 0.00 0.31 0.04 0.00 -0.52 0.00 0.00 55.73 55.56 1mx5 s ARG 3242Cb 0.00 0.30 -0.02 0.00 0.52 0.00 0.00 34.95 35.76 1mx5 s ARG 3242CO 0.00 -0.14 -0.12 0.00 0.02 0.00 0.00 175.30 175.07 1mx5 s ALA 3243N -0.46 0.95 -0.12 2.13 0.00 -0.40 -1.09 121.76 122.76 1mx5 s ALA 3243Ca -0.06 -0.65 -0.02 0.00 0.00 0.00 0.00 51.96 51.23 1mx5 s ALA 3243Cb -0.03 -0.17 0.04 0.00 0.00 0.00 0.00 23.12 22.96 1mx5 s ALA 3243CO 0.03 0.18 0.01 0.42 0.00 0.00 0.00 175.76 176.40 1mx5 s ILE 3244N -0.65 0.51 -0.36 0.00 1.01 -0.22 -0.58 121.20 120.92 1mx5 s ILE 3244Ca 0.01 -0.19 -0.11 0.00 0.00 0.00 0.00 60.65 60.36 1mx5 s ILE 3244Cb -0.06 -0.79 0.02 0.00 0.01 0.00 0.00 42.46 41.63 1mx5 s ILE 3244CO 0.00 0.09 0.20 -0.44 0.00 0.00 0.00 174.94 174.79 1mx5 s SER 3245N 1.90 5.71 -0.30 3.58 0.01 0.21 -2.45 113.70 122.36 1mx5 s SER 3245Ca 0.03 -0.84 -0.13 0.00 1.31 0.00 0.00 55.95 56.32 1mx5 s SER 3245Cb -0.14 -2.03 -0.04 0.00 0.21 0.00 0.00 66.02 64.03 1mx5 s SER 3245CO -0.07 -0.33 0.26 -1.61 0.41 0.00 0.00 173.24 171.90 1mx5 s GLU 3246N 1.58 3.83 -1.21 12.44 2.02 0.09 -2.04 118.70 135.40 1mx5 s GLU 3246Ca 0.03 -0.32 -0.25 0.00 0.02 0.00 0.00 54.97 54.46 1mx5 s GLU 3246Cb -0.19 -3.71 0.02 0.00 0.10 0.00 0.00 34.13 30.36 1mx5 s GLU 3246CO 0.07 -0.29 0.68 0.43 0.02 0.00 0.00 175.26 176.17 1mx5 n SER 3247N 5.17 -4.14 0.00 -0.19 7.64 0.33 -0.78 113.62 121.65 1mx5 n SER 3247Ca -0.12 -1.15 0.00 0.00 1.01 0.00 0.00 58.87 58.61 1mx5 n SER 3247Cb 0.51 -2.53 0.00 0.00 -1.01 0.00 0.00 64.21 61.17 1mx5 n SER 3247CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1mx5 n GLY 3248N -1.93 2.69 3.38 0.23 0.00 -1.26 -2.45 105.19 105.85 1mx5 n GLY 3248Ca -0.13 0.23 -0.20 0.00 0.00 0.00 0.00 46.02 45.93 1mx5 n GLY 3248CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1mx5 s VAL 3249N 0.00 0.60 -1.67 1.61 -7.23 -1.26 -2.54 120.40 109.92 1mx5 s VAL 3249Ca 0.00 -2.00 0.10 0.00 -1.81 0.00 0.00 61.98 58.27 1mx5 s VAL 3249Cb 0.00 -2.58 0.23 0.00 0.56 0.00 0.00 36.38 34.59 1mx5 s VAL 3249CO 0.00 0.00 1.15 0.00 -0.31 0.00 0.00 175.10 175.94 1mx5 n ALA 3250N -0.62 1.74 1.08 1.32 0.00 -1.26 -1.52 120.51 121.25 1mx5 n ALA 3250Ca -0.01 -0.05 0.12 0.00 0.00 0.00 0.00 53.44 53.49 1mx5 n ALA 3250Cb 0.66 -1.17 0.12 0.00 0.00 0.00 0.00 19.45 19.06 1mx5 n ALA 3250CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1mx5 n LEU 3251N -1.17 1.45 -4.57 0.00 4.77 -1.26 -4.69 117.00 111.54 1mx5 n LEU 3251Ca 0.06 -0.50 -0.31 0.00 -0.03 0.00 0.00 56.01 55.23 1mx5 n LEU 3251Cb 0.06 -0.06 -0.05 0.00 -2.33 0.00 0.00 43.42 41.05 1mx5 n LEU 3251CO 0.07 0.28 1.47 -0.89 -1.33 0.00 0.00 177.39 176.99 1mx5 s THR 3252N -2.60 3.61 0.24 -5.08 2.01 -0.58 -4.83 115.64 108.41 1mx5 s THR 3252Ca 0.18 -0.75 -0.09 0.00 0.31 0.00 0.00 61.69 61.34 1mx5 s THR 3252Cb 0.18 -4.44 0.36 0.00 0.01 0.00 0.00 72.50 68.61 1mx5 s THR 3252CO 0.61 -1.20 1.39 -1.54 -0.69 0.00 0.00 174.62 173.19 1mx5 n SER 3253N 12.88 -0.39 -0.31 3.53 3.41 -1.26 -2.30 113.62 129.18 1mx5 n SER 3253Ca 0.41 1.54 0.20 0.00 -0.26 0.00 0.00 58.87 60.76 1mx5 n SER 3253Cb 0.47 -0.44 0.37 0.00 -0.26 0.00 0.00 64.21 64.36 1mx5 n SER 3253CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 1mx5 n VAL 3254N -5.42 -0.38 0.86 -3.33 3.14 -1.26 -0.31 118.33 111.63 1mx5 n VAL 3254Ca 0.13 1.95 0.13 0.00 -2.96 0.00 0.00 64.34 63.59 1mx5 n VAL 3254Cb 0.42 -2.96 0.41 0.00 -1.06 0.00 0.00 33.84 30.65 1mx5 n VAL 3254CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 1mx5 n LEU 3255N -5.23 0.40 -4.41 6.55 4.77 -0.97 -4.80 117.00 113.30 1mx5 n LEU 3255Ca 0.27 0.34 -0.33 0.00 -0.03 0.00 0.00 56.01 56.26 1mx5 n LEU 3255Cb 0.89 -0.35 -0.14 0.00 -2.33 0.00 0.00 43.42 41.49 1mx5 n LEU 3255CO -0.04 -0.01 -0.44 -0.69 -1.33 0.00 0.00 177.39 174.88 1mx5 s VAL 3256N -3.05 3.15 -0.04 4.08 1.01 0.58 0.00 120.40 126.14 1mx5 s VAL 3256Ca 0.11 -0.64 -0.16 0.00 0.00 0.00 0.00 61.98 61.29 1mx5 s VAL 3256Cb 0.16 -2.31 -0.05 0.00 0.00 0.00 0.00 36.38 34.18 1mx5 s VAL 3256CO 0.62 0.54 0.44 -0.54 0.00 0.00 0.00 175.10 176.15 1mx5 s LYS 3257N 0.13 4.09 0.03 2.72 -0.14 0.24 -4.87 119.74 121.93 1mx5 s LYS 3257Ca -0.06 0.43 0.08 0.00 -1.36 0.00 0.00 55.97 55.06 1mx5 s LYS 3257Cb -0.15 -3.30 -0.02 0.00 -1.68 0.00 0.00 37.83 32.68 1mx5 s LYS 3257CO 0.04 0.51 -0.22 -1.59 -0.76 0.00 0.00 175.35 173.33 1mx5 s LYS 3258N -0.50 1.55 0.39 1.68 0.00 -1.26 -4.38 119.74 117.23 1mx5 s LYS 3258Ca 0.24 -0.95 0.00 0.00 0.00 0.00 0.00 55.97 55.26 1mx5 s LYS 3258Cb -0.16 -1.65 0.00 0.00 0.00 0.00 0.00 37.83 36.01 1mx5 s LYS 3258CO 0.12 0.43 0.00 0.41 0.00 0.00 0.00 175.35 176.31 1mx5 n GLY 3259N 1.96 -2.34 3.67 0.59 0.00 -1.26 -4.86 105.19 102.95 1mx5 n GLY 3259Ca -0.17 -1.58 -0.42 0.00 0.00 0.00 0.00 46.02 43.85 1mx5 n GLY 3259CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1mx5 s ASP 3260N -2.75 6.48 0.01 1.61 2.15 -1.26 -4.89 116.67 118.02 1mx5 s ASP 3260Ca 0.00 2.64 0.23 0.00 0.43 0.00 0.00 52.55 55.84 1mx5 s ASP 3260Cb 0.00 -2.54 0.02 0.00 -0.30 0.00 0.00 42.92 40.10 1mx5 s ASP 3260CO 0.00 -1.01 1.05 1.33 -0.17 0.00 0.00 175.17 176.37 1mx5 n VAL 3261N 5.24 0.03 -0.30 1.11 0.24 -1.26 -4.49 118.33 118.90 1mx5 n VAL 3261Ca 0.19 -0.07 0.13 0.00 -2.04 0.00 0.00 64.34 62.55 1mx5 n VAL 3261Cb 0.40 0.60 0.29 0.00 -1.47 0.00 0.00 33.84 33.67 1mx5 n VAL 3261CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 1mx5 h LYS 3262N 0.00 0.22 -0.58 7.34 1.63 -1.82 -1.35 116.57 122.00 1mx5 h LYS 3262Ca 0.00 -0.01 0.04 0.00 -0.85 0.00 0.00 60.65 59.82 1mx5 h LYS 3262Cb 0.56 -0.05 -0.04 0.00 -0.60 0.00 0.00 32.23 32.10 1mx5 h LYS 3262CO 0.00 0.14 0.34 -1.35 -3.45 0.00 0.00 179.45 175.13 1mx5 h PRO 3263N 0.23 0.63 -0.70 1.90 0.11 -1.95 -0.88 132.00 131.34 1mx5 h PRO 3263Ca 0.56 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.62 1mx5 h PRO 3263Cb 1.12 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 32.05 1mx5 h PRO 3263CO -0.64 0.42 0.41 1.25 -0.21 0.00 0.00 178.00 179.23 1mx5 h LEU 3264N 0.65 0.85 -0.60 2.35 6.46 -1.57 0.18 115.31 123.63 1mx5 h LEU 3264Ca 0.24 -0.07 0.03 0.00 -0.12 0.00 0.00 57.88 57.96 1mx5 h LEU 3264Cb 0.08 -0.22 -0.04 0.00 -0.73 0.00 0.00 40.66 39.75 1mx5 h LEU 3264CO -0.13 0.67 0.37 0.00 -0.62 0.00 0.00 178.44 178.73 1mx5 h ALA 3265N 1.21 0.78 -0.53 1.25 0.00 -1.01 -0.36 119.26 120.61 1mx5 h ALA 3265Ca 0.25 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.04 1mx5 h ALA 3265Cb -0.02 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1mx5 h ALA 3265CO -0.05 0.11 -0.09 0.93 0.00 0.00 0.00 179.25 180.16 1mx5 h GLU 3266N 0.73 0.97 -0.32 0.00 5.08 -0.71 0.81 114.58 121.14 1mx5 h GLU 3266Ca 0.24 -0.34 -0.09 0.00 -1.00 0.00 0.00 59.36 58.17 1mx5 h GLU 3266Cb 0.02 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 1mx5 h GLU 3266CO -0.10 1.00 -0.19 0.37 -1.00 0.00 0.00 179.01 179.09 1mx5 h GLN 3267N 0.87 0.59 -0.13 2.33 4.15 -0.45 0.70 115.11 123.16 1mx5 h GLN 3267Ca 0.14 -0.21 -0.16 0.00 0.77 0.00 0.00 58.65 59.19 1mx5 h GLN 3267Cb 0.63 -0.04 0.01 0.00 0.21 0.00 0.00 27.48 28.28 1mx5 h GLN 3267CO 0.04 0.75 -0.55 0.82 -1.93 0.00 0.00 178.83 177.96 1mx5 h ILE 3268N 0.53 1.34 -0.87 2.39 2.04 -0.86 -1.96 117.51 120.11 1mx5 h ILE 3268Ca 0.08 -1.83 0.00 0.00 1.00 0.00 0.00 64.86 64.12 1mx5 h ILE 3268Cb 0.63 2.09 -0.04 0.00 -0.74 0.00 0.00 36.82 38.75 1mx5 h ILE 3268CO 0.04 0.56 0.56 0.00 0.00 0.00 0.00 178.15 179.31 1mx5 h ALA 3269N 0.51 1.11 -0.28 1.87 0.00 -0.57 -1.43 119.26 120.48 1mx5 h ALA 3269Ca -0.03 -0.08 -0.14 0.00 0.00 0.00 0.00 54.91 54.66 1mx5 h ALA 3269Cb 1.19 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 1mx5 h ALA 3269CO 0.12 0.54 -0.39 0.82 0.00 0.00 0.00 179.25 180.34 1mx5 h ILE 3270N 1.19 1.30 0.00 0.00 2.04 -0.86 0.35 117.51 121.54 1mx5 h ILE 3270Ca 0.32 -1.57 -0.02 0.00 1.00 0.00 0.00 64.86 64.59 1mx5 h ILE 3270Cb -0.10 1.63 -0.00 0.00 -0.74 0.00 0.00 36.82 37.61 1mx5 h ILE 3270CO -0.06 0.51 -0.08 0.74 0.00 0.00 0.00 178.15 179.25 1mx5 h THR 3271N 0.51 0.93 -0.00 -0.27 2.02 -1.05 0.19 112.91 115.23 1mx5 h THR 3271Ca 0.03 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 66.93 1mx5 h THR 3271Cb 0.98 1.16 0.00 0.00 -1.74 0.00 0.00 68.15 68.55 1mx5 h THR 3271CO 0.09 0.08 -0.22 0.00 0.37 0.00 0.00 175.52 175.84 1mx5 n ALA 3272N -2.47 2.93 -1.58 6.16 0.00 -0.56 -4.83 120.51 120.16 1mx5 n ALA 3272Ca -0.03 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.16 1mx5 n ALA 3272Cb 0.16 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.32 1mx5 n ALA 3272CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mx5 n GLY 3273N 1.42 0.86 3.44 0.00 0.00 0.06 -5.05 105.19 105.90 1mx5 n GLY 3273Ca 0.09 -0.42 -0.28 0.00 0.00 0.00 0.00 46.02 45.41 1mx5 n GLY 3273CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mx5 s LYS 3275N -2.32 0.67 -0.03 0.00 1.02 -1.26 -4.15 119.74 113.67 1mx5 s LYS 3275Ca 0.18 0.59 0.15 0.00 0.02 0.00 0.00 55.97 56.90 1mx5 s LYS 3275Cb -0.09 -1.76 0.27 0.00 -0.52 0.00 0.00 37.83 35.73 1mx5 s LYS 3275CO 0.09 -2.59 1.11 0.25 -0.92 0.00 0.00 175.35 173.30 1mx5 n THR 3276N -4.09 0.35 -0.27 2.17 -2.24 -1.26 -4.35 114.28 104.59 1mx5 n THR 3276Ca 0.06 -0.97 0.08 0.00 -2.27 0.00 0.00 64.05 60.95 1mx5 n THR 3276Cb 0.57 0.62 0.22 0.00 -2.10 0.00 0.00 70.33 69.63 1mx5 n THR 3276CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1mx5 h THR 3277N 5.91 0.54 -3.59 4.28 2.02 -1.95 -3.45 112.91 116.67 1mx5 h THR 3277Ca -0.11 -0.12 -0.07 0.00 0.77 0.00 0.00 66.41 66.87 1mx5 h THR 3277Cb 1.57 0.15 -0.08 0.00 -1.74 0.00 0.00 68.15 68.05 1mx5 h THR 3277CO 0.05 0.07 -0.06 0.42 0.37 0.00 0.00 175.52 176.37 1mx5 s THR 3278N -5.99 0.00 0.07 3.16 -4.23 -1.26 -5.03 115.64 102.36 1mx5 s THR 3278Ca -0.12 -1.36 -0.34 0.00 -1.18 0.00 0.00 61.69 58.69 1mx5 s THR 3278Cb 0.22 -2.30 -0.19 0.00 1.34 0.00 0.00 72.50 71.57 1mx5 s THR 3278CO 0.77 0.00 1.61 0.28 -0.54 0.00 0.00 174.62 176.74 1mx5 h SER 3279N 2.19 -0.87 -0.90 3.99 0.02 -1.97 -1.91 113.55 114.10 1mx5 h SER 3279Ca -0.26 0.03 0.22 0.00 -0.84 0.00 0.00 61.79 60.94 1mx5 h SER 3279Cb 1.25 0.23 -0.12 0.00 0.14 0.00 0.00 62.40 63.89 1mx5 h SER 3279CO 0.35 -0.62 0.40 0.00 -1.14 0.00 0.00 176.83 175.82 1mx5 h ALA 3280N -0.75 1.44 0.11 3.77 0.00 -1.98 0.61 119.26 122.46 1mx5 h ALA 3280Ca -0.10 0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1mx5 h ALA 3280Cb 0.78 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1mx5 h ALA 3280CO 0.16 -0.34 -0.10 0.28 0.00 0.00 0.00 179.25 179.26 1mx5 h VAL 3281N 0.41 0.78 0.09 0.00 2.07 -1.88 0.79 116.25 118.51 1mx5 h VAL 3281Ca 0.56 0.00 0.01 0.00 0.82 0.00 0.00 66.70 68.09 1mx5 h VAL 3281Cb 1.06 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 31.58 1mx5 h VAL 3281CO -0.52 0.00 -0.18 0.24 0.02 0.00 0.00 177.57 177.13 1mx5 h MET 3282N -0.22 -0.32 -0.70 1.57 0.00 -0.14 0.14 114.93 115.26 1mx5 h MET 3282Ca 0.00 0.02 0.04 0.00 0.00 0.00 0.00 59.70 59.77 1mx5 h MET 3282Cb 0.21 0.07 -0.05 0.00 0.00 0.00 0.00 31.60 31.84 1mx5 h MET 3282CO -0.02 -0.22 0.42 0.28 0.00 0.00 0.00 176.91 177.37 1mx5 h VAL 3283N -0.33 1.04 -0.39 -2.22 2.07 -1.04 0.55 116.25 115.92 1mx5 h VAL 3283Ca 0.03 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 67.25 1mx5 h VAL 3283Cb 0.36 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.29 1mx5 h VAL 3283CO -0.10 0.14 0.16 -0.74 0.02 0.00 0.00 177.57 177.05 1mx5 h HIS 3284N 0.79 0.60 -0.55 1.57 -0.00 -0.51 -1.44 115.15 115.60 1mx5 h HIS 3284Ca 0.29 -0.05 -0.06 0.00 -0.00 0.00 0.00 60.37 60.56 1mx5 h HIS 3284Cb 0.10 -0.18 -0.02 0.00 -0.00 0.00 0.00 27.41 27.31 1mx5 h HIS 3284CO -0.06 0.54 0.11 0.00 -0.00 0.00 0.00 177.93 178.53 1mx5 h LEU 3286N 0.79 0.00 -0.50 0.00 3.38 -0.73 -1.83 115.31 116.42 1mx5 h LEU 3286Ca 0.17 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.01 1mx5 h LEU 3286Cb 0.37 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 1mx5 h LEU 3286CO 0.01 0.11 -0.61 0.03 0.09 0.00 0.00 178.44 178.07 1mx5 h ARG 3287N 0.00 0.00 0.00 1.13 3.08 -0.84 -3.08 114.38 114.68 1mx5 h ARG 3287Ca -0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 1mx5 h ARG 3287Cb 0.51 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.55 1mx5 h ARG 3287CO 0.01 0.61 -0.18 1.96 -1.07 0.00 0.00 179.97 181.30 1mx5 h GLN 3288N 0.00 0.00 -7.10 0.04 1.08 -1.10 -3.46 115.11 104.57 1mx5 h GLN 3288Ca -0.01 0.00 -0.53 0.00 -1.45 0.00 0.00 58.65 56.66 1mx5 h GLN 3288Cb 1.24 0.00 0.12 0.00 -0.05 0.00 0.00 27.48 28.79 1mx5 h GLN 3288CO 0.08 0.18 0.48 0.15 -0.95 0.00 0.00 178.83 178.76 1mx5 s LYS 3289N -3.37 2.95 0.45 1.46 -0.14 -1.12 -5.02 119.74 114.95 1mx5 s LYS 3289Ca 0.03 1.85 -0.04 0.00 -1.36 0.00 0.00 55.97 56.45 1mx5 s LYS 3289Cb 0.08 -1.93 -0.04 0.00 -1.68 0.00 0.00 37.83 34.26 1mx5 s LYS 3289CO 0.65 -1.23 0.73 0.95 -0.76 0.00 0.00 175.35 175.69 1mx5 s THR 3290N -1.57 4.96 0.22 2.17 -4.23 -1.26 -4.91 115.64 111.01 1mx5 s THR 3290Ca 0.78 0.04 -0.09 0.00 -1.18 0.00 0.00 61.69 61.24 1mx5 s THR 3290Cb -0.31 -3.86 0.17 0.00 1.34 0.00 0.00 72.50 69.84 1mx5 s THR 3290CO 0.33 -0.78 1.70 -0.08 -0.54 0.00 0.00 174.62 175.26 1mx5 h GLU 3291N 0.36 0.27 -0.92 3.99 4.81 -1.98 0.53 114.58 121.63 1mx5 h GLU 3291Ca -0.48 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 1mx5 h GLU 3291Cb 1.21 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 30.48 1mx5 h GLU 3291CO 0.62 0.18 0.58 1.49 -0.73 0.00 0.00 179.01 181.14 1mx5 h GLU 3292N 0.27 1.24 -0.76 1.92 4.57 -1.98 -0.35 114.58 119.49 1mx5 h GLU 3292Ca 0.33 -0.10 -0.04 0.00 -1.18 0.00 0.00 59.36 58.37 1mx5 h GLU 3292Cb 0.50 -0.27 -0.03 0.00 -0.16 0.00 0.00 28.75 28.79 1mx5 h GLU 3292CO -0.41 0.85 0.31 0.93 -1.18 0.00 0.00 179.01 179.50 1mx5 h GLU 3293N 1.26 1.13 0.00 1.92 5.08 -1.32 0.13 114.58 122.78 1mx5 h GLU 3293Ca 0.33 -0.20 -0.06 0.00 -1.00 0.00 0.00 59.36 58.43 1mx5 h GLU 3293Cb -0.09 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 28.96 1mx5 h GLU 3293CO -0.07 0.91 -0.31 -0.07 -1.00 0.00 0.00 179.01 178.48 1mx5 h LEU 3294N 1.11 0.00 -0.12 1.33 3.38 -0.72 -0.67 115.31 119.62 1mx5 h LEU 3294Ca 0.26 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.99 1mx5 h LEU 3294Cb 0.20 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.96 1mx5 h LEU 3294CO -0.02 0.31 -0.97 0.25 0.09 0.00 0.00 178.44 178.10 1mx5 h LEU 3295N 0.00 0.67 -0.81 1.67 5.85 -0.27 0.24 115.31 122.66 1mx5 h LEU 3295Ca -0.00 -0.53 -0.09 0.00 0.84 0.00 0.00 57.88 58.10 1mx5 h LEU 3295Cb 0.95 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.75 1mx5 h LEU 3295CO 0.04 1.33 -0.03 -0.33 -0.34 0.00 0.00 178.44 179.10 1mx5 h GLU 3296N 0.29 0.86 -0.40 1.25 5.08 -0.49 -1.46 114.58 119.71 1mx5 h GLU 3296Ca -0.09 -0.26 -0.13 0.00 -1.00 0.00 0.00 59.36 57.87 1mx5 h GLU 3296Cb 1.61 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.76 1mx5 h GLU 3296CO 0.18 0.88 -0.28 1.15 -1.00 0.00 0.00 179.01 179.94 1mx5 h THR 3297N 0.79 1.27 -0.54 1.13 2.02 -0.99 -1.99 112.91 114.61 1mx5 h THR 3297Ca 0.14 -1.44 0.02 0.00 0.77 0.00 0.00 66.41 65.91 1mx5 h THR 3297Cb 0.52 1.26 -0.03 0.00 -1.74 0.00 0.00 68.15 68.16 1mx5 h THR 3297CO 0.03 0.48 0.33 0.74 0.37 0.00 0.00 175.52 177.47 1mx5 h THR 3298N 0.73 1.08 -0.38 3.16 2.02 -0.46 -2.49 112.91 116.57 1mx5 h THR 3298Ca 0.09 -0.23 -0.16 0.00 0.77 0.00 0.00 66.41 66.88 1mx5 h THR 3298Cb 0.83 0.35 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 1mx5 h THR 3298CO 0.07 0.12 -0.39 -0.07 0.37 0.00 0.00 175.52 175.62 1mx5 h LEU 3299N 0.67 1.00 -2.08 2.58 4.07 -1.20 -3.04 115.31 117.30 1mx5 h LEU 3299Ca 0.21 -0.46 -0.00 0.00 0.08 0.00 0.00 57.88 57.71 1mx5 h LEU 3299Cb -0.01 -0.28 -0.00 0.00 1.08 0.00 0.00 40.66 41.45 1mx5 h LEU 3299CO -0.08 1.26 -0.01 0.11 -1.08 0.00 0.00 178.44 178.64 1mx5 h LYS 3300N 0.76 0.00 0.00 1.13 1.57 -1.07 -2.28 116.57 116.68 1mx5 h LYS 3300Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1mx5 h LYS 3300Cb 0.99 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.30 1mx5 h LYS 3300CO 0.10 0.01 0.00 0.52 -0.57 0.00 0.00 179.45 179.51 1mx5 h MET 3301N 0.00 0.00 -6.20 3.15 2.86 -1.33 -3.48 114.93 109.93 1mx5 h MET 3301Ca -0.00 0.00 -0.35 0.00 -2.06 0.00 0.00 59.70 57.29 1mx5 h MET 3301Cb 0.02 0.00 0.03 0.00 0.06 0.00 0.00 31.60 31.71 1mx5 h MET 3301CO 0.00 0.00 -0.75 1.63 1.06 0.00 0.00 176.91 178.85 1mx5 n LYS 3302N -3.05 -1.31 0.02 1.72 5.02 -0.86 -4.91 118.16 114.80 1mx5 n LYS 3302Ca 0.02 0.81 -0.10 0.00 -2.02 0.00 0.00 58.31 57.02 1mx5 n LYS 3302Cb 0.41 -3.89 0.03 0.00 -0.02 0.00 0.00 35.03 31.57 1mx5 n LYS 3302CO 0.00 0.00 0.00 0.74 -0.52 0.00 0.00 177.40 177.62 1mx5 h PHE 3303N -0.80 0.68 -0.51 2.13 0.05 -1.86 -3.32 116.94 113.32 1mx5 h PHE 3303Ca -0.49 -0.27 0.00 0.00 3.82 0.00 0.00 57.97 61.03 1mx5 h PHE 3303Cb 1.28 -0.12 0.00 0.00 2.00 0.00 0.00 35.95 39.12 1mx5 h PHE 3303CO 0.27 1.02 0.00 1.28 -0.18 0.00 0.00 178.31 180.70 1mx5 n LEU 3304N -3.91 3.97 -4.67 1.54 7.99 -1.26 -4.74 117.00 115.91 1mx5 n LEU 3304Ca -0.04 -2.35 -0.29 0.00 -0.01 0.00 0.00 56.01 53.33 1mx5 n LEU 3304Cb 0.66 -0.46 -0.08 0.00 -0.11 0.00 0.00 43.42 43.43 1mx5 n LEU 3304CO 0.48 0.79 -0.34 -0.55 -1.51 0.00 0.00 177.39 176.26 1mx5 s SER 3305N -1.12 4.86 -0.15 -1.43 0.15 -1.25 -4.34 113.70 110.42 1mx5 s SER 3305Ca 0.41 -0.29 -0.15 0.00 0.70 0.00 0.00 55.95 56.62 1mx5 s SER 3305Cb 0.26 -1.09 -0.04 0.00 -1.71 0.00 0.00 66.02 63.44 1mx5 s SER 3305CO 0.21 0.14 0.36 -0.22 1.20 0.00 0.00 173.24 174.93 1mx5 s LEU 3306N -2.57 4.25 -0.24 3.45 2.96 -1.16 -5.02 118.68 120.36 1mx5 s LEU 3306Ca 0.26 0.62 -0.22 0.00 -0.22 0.00 0.00 54.13 54.57 1mx5 s LEU 3306Cb -0.11 -2.49 -0.02 0.00 0.50 0.00 0.00 46.19 44.07 1mx5 s LEU 3306CO 0.18 0.06 0.69 -0.62 -1.32 0.00 0.00 176.35 175.34 1mx5 s ASP 3307N 0.53 6.68 0.05 3.68 3.68 -1.26 -4.94 116.67 125.09 1mx5 s ASP 3307Ca 0.20 0.83 0.24 0.00 2.13 0.00 0.00 52.55 55.95 1mx5 s ASP 3307Cb -0.14 -2.37 0.23 0.00 -1.45 0.00 0.00 42.92 39.20 1mx5 s ASP 3307CO 0.06 -0.39 1.20 0.18 0.13 0.00 0.00 175.17 176.36 1mx5 n LEU 3308N 5.63 0.62 -4.87 -1.34 4.77 -1.26 -4.92 117.00 115.64 1mx5 n LEU 3308Ca 0.01 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.63 1mx5 n LEU 3308Cb 0.49 -0.16 -0.06 0.00 -2.33 0.00 0.00 43.42 41.36 1mx5 n LEU 3308CO 0.44 0.06 -0.18 -1.10 -1.33 0.00 0.00 177.39 175.29 1mx5 s GLN 3309N -3.11 3.39 0.28 3.23 1.11 -1.26 -5.03 119.66 118.27 1mx5 s GLN 3309Ca 0.07 -0.21 0.00 0.00 0.01 0.00 0.00 55.36 55.22 1mx5 s GLN 3309Cb 0.15 -3.12 0.00 0.00 -1.01 0.00 0.00 33.01 29.03 1mx5 s GLN 3309CO 0.76 0.74 0.00 0.41 0.01 0.00 0.00 175.29 177.21 1mx5 n GLY 3310N 1.70 -2.11 3.66 3.09 0.00 -1.26 -4.81 105.19 105.46 1mx5 n GLY 3310Ca -0.17 -1.41 -0.42 0.00 0.00 0.00 0.00 46.02 44.01 1mx5 n GLY 3310CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1mx5 s ASP 3311N -3.53 6.45 0.33 1.61 -1.08 -1.26 -4.91 116.67 114.28 1mx5 s ASP 3311Ca 0.00 2.62 0.01 0.00 -0.52 0.00 0.00 52.55 54.66 1mx5 s ASP 3311Cb 0.00 -2.53 0.58 0.00 -1.46 0.00 0.00 42.92 39.51 1mx5 s ASP 3311CO 0.00 -1.06 1.97 -0.65 0.52 0.00 0.00 175.17 175.95 1mx5 h PRO 3312N 10.58 0.83 -0.01 4.34 0.11 -1.87 -2.77 132.00 143.21 1mx5 h PRO 3312Ca -0.48 -0.08 0.00 0.00 0.11 0.00 0.00 66.00 65.55 1mx5 h PRO 3312Cb 1.23 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 1mx5 h PRO 3312CO 0.94 0.60 0.02 0.00 -0.21 0.00 0.00 178.00 179.35 1mx5 h ARG 3313N 0.84 0.00 -0.64 1.05 3.08 -1.91 0.19 114.38 116.99 1mx5 h ARG 3313Ca 0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.27 1mx5 h ARG 3313Cb -0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1mx5 h ARG 3313CO -0.04 0.00 0.00 0.39 -1.07 0.00 0.00 179.97 179.25 1mx5 n GLU 3314N -3.37 3.91 -2.06 0.04 1.02 -1.05 -4.96 120.64 114.17 1mx5 n GLU 3314Ca -0.03 -2.60 -0.33 0.00 -0.02 0.00 0.00 57.16 54.18 1mx5 n GLU 3314Cb 0.09 -2.00 0.01 0.00 -0.02 0.00 0.00 31.44 29.52 1mx5 n GLU 3314CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1mx5 s SER 3315N -0.74 5.73 -0.33 1.62 0.15 0.05 -4.89 113.70 115.29 1mx5 s SER 3315Ca 0.46 1.88 -0.30 0.00 0.70 0.00 0.00 55.95 58.69 1mx5 s SER 3315Cb 0.32 -2.54 -0.08 0.00 -1.71 0.00 0.00 66.02 62.01 1mx5 s SER 3315CO 0.17 -1.20 2.27 1.67 1.20 0.00 0.00 173.24 177.35 1mx5 n GLN 3316N -1.94 1.47 -1.93 5.44 -0.06 -1.26 -4.86 117.38 114.25 1mx5 n GLN 3316Ca 0.09 0.35 -0.34 0.00 -2.00 0.00 0.00 57.00 55.10 1mx5 n GLN 3316Cb 0.53 -2.99 -0.04 0.00 -4.06 0.00 0.00 30.24 23.68 1mx5 n GLN 3316CO 0.00 0.00 0.00 -2.14 -0.20 0.00 0.00 177.06 174.72 1mx5 s PRO 3317N 6.75 2.45 0.23 3.69 0.02 -1.26 -4.91 135.00 141.97 1mx5 s PRO 3317Ca 1.04 0.58 -0.28 0.00 0.02 0.00 0.00 61.00 62.37 1mx5 s PRO 3317Cb -0.50 -4.57 -0.16 0.00 0.02 0.00 0.00 34.50 29.29 1mx5 s PRO 3317CO 0.38 -3.06 0.58 -0.11 -0.33 0.00 0.00 177.00 174.47 1mx5 n LEU 3318N 13.92 -0.81 -4.69 -5.54 0.00 -1.26 -4.85 117.00 113.77 1mx5 n LEU 3318Ca 0.29 1.12 -0.36 0.00 0.00 0.00 0.00 56.01 57.06 1mx5 n LEU 3318Cb 0.51 -1.00 0.09 0.00 0.00 0.00 0.00 43.42 43.02 1mx5 n LEU 3318CO 0.68 -2.78 0.77 0.18 0.00 0.00 0.00 177.39 176.24 1mx5 n LEU 3319N 1.88 4.89 0.00 -1.96 4.77 -1.26 -4.96 117.00 120.35 1mx5 n LEU 3319Ca 0.16 0.71 0.00 0.00 -0.03 0.00 0.00 56.01 56.85 1mx5 n LEU 3319Cb 0.27 -1.50 0.00 0.00 -2.33 0.00 0.00 43.42 39.85 1mx5 n LEU 3319CO 0.57 -1.48 0.00 0.61 -1.33 0.00 0.00 177.39 175.75 1mx5 n GLY 3320N 0.84 1.25 3.74 -0.72 0.00 -1.26 -4.92 105.19 104.11 1mx5 n GLY 3320Ca 0.14 -0.75 -0.41 0.00 0.00 0.00 0.00 46.02 45.00 1mx5 n GLY 3320CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mx5 s THR 3321N -2.35 3.33 0.34 2.61 2.01 0.10 -4.71 115.64 116.97 1mx5 s THR 3321Ca 0.00 1.14 0.05 0.00 0.31 0.00 0.00 61.69 63.20 1mx5 s THR 3321Cb 0.00 -3.73 -0.07 0.00 0.01 0.00 0.00 72.50 68.71 1mx5 s THR 3321CO 0.00 0.19 0.02 0.68 -0.69 0.00 0.00 174.62 174.82 1mx5 s VAL 3322N -0.18 1.51 -0.93 3.82 -7.23 -1.26 0.79 120.40 116.92 1mx5 s VAL 3322Ca 0.53 -2.03 -0.17 0.00 -1.81 0.00 0.00 61.98 58.50 1mx5 s VAL 3322Cb -0.35 -2.77 0.16 0.00 0.56 0.00 0.00 36.38 33.98 1mx5 s VAL 3322CO 0.39 -0.07 1.06 -0.63 -0.31 0.00 0.00 175.10 175.54 1mx5 s ILE 3323N -3.07 4.98 0.04 -0.62 -1.09 -1.26 -4.73 121.20 115.43 1mx5 s ILE 3323Ca 0.35 -1.88 0.11 0.00 -2.23 0.00 0.00 60.65 56.99 1mx5 s ILE 3323Cb 0.08 -4.71 -0.09 0.00 -1.58 0.00 0.00 42.46 36.16 1mx5 s ILE 3323CO 0.15 -1.40 1.38 -2.24 -1.23 0.00 0.00 174.94 171.61 1mx5 h ASP 3324N 8.45 0.00 0.00 3.58 -0.00 -1.85 -3.48 116.42 123.11 1mx5 h ASP 3324Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.19 1mx5 h ASP 3324Cb 1.02 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.35 1mx5 h ASP 3324CO 1.03 0.77 0.00 0.61 -0.00 0.00 0.00 179.24 181.65 1mx5 n GLY 3325N 1.19 0.76 1.23 7.15 0.00 -0.57 -4.90 105.19 110.04 1mx5 n GLY 3325Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1mx5 n GLY 3325CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1mx5 n MET 3326N -2.05 0.00 0.05 1.61 2.81 -1.26 -4.79 117.12 113.48 1mx5 n MET 3326Ca 0.00 0.00 -0.08 0.00 -1.81 0.00 0.00 57.70 55.81 1mx5 n MET 3326Cb 0.00 -0.40 -0.06 0.00 -0.71 0.00 0.00 33.22 32.05 1mx5 n MET 3326CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 1mx5 h LEU 3327N 0.00 -0.19 -8.20 4.03 5.85 -1.95 -3.43 115.31 111.42 1mx5 h LEU 3327Ca 0.00 -0.25 -0.67 0.00 0.84 0.00 0.00 57.88 57.80 1mx5 h LEU 3327Cb 0.02 0.05 -0.33 0.00 0.37 0.00 0.00 40.66 40.77 1mx5 h LEU 3327CO 0.00 0.37 -0.83 -0.76 -0.34 0.00 0.00 178.44 176.87 1mx5 s LEU 3328N -8.84 2.29 0.00 2.25 1.43 -1.26 -4.06 118.68 110.48 1mx5 s LEU 3328Ca -0.09 -0.57 0.28 0.00 -1.03 0.00 0.00 54.13 52.72 1mx5 s LEU 3328Cb 0.00 -1.52 1.09 0.00 0.03 0.00 0.00 46.19 45.79 1mx5 s LEU 3328CO 0.33 0.04 1.82 0.18 0.23 0.00 0.00 176.35 178.95 1mx5 n LEU 3329N 4.38 0.13 -3.75 1.79 4.77 -1.26 -1.51 117.00 121.55 1mx5 n LEU 3329Ca -0.20 0.36 -0.00 0.00 -0.03 0.00 0.00 56.01 56.14 1mx5 n LEU 3329Cb 0.51 -0.42 -0.00 0.00 -2.33 0.00 0.00 43.42 41.18 1mx5 n LEU 3329CO 0.27 0.03 0.96 -1.59 -1.33 0.00 0.00 177.39 175.73 1mx5 s LYS 3330N -2.95 0.70 0.54 3.23 -2.85 -1.26 -4.83 119.74 112.31 1mx5 s LYS 3330Ca 0.15 -0.41 -0.21 0.00 -1.00 0.00 0.00 55.97 54.50 1mx5 s LYS 3330Cb 0.19 0.22 -0.07 0.00 -2.06 0.00 0.00 37.83 36.11 1mx5 s LYS 3330CO 0.56 -0.33 0.99 0.25 0.10 0.00 0.00 175.35 176.92 1mx5 n THR 3331N -0.59 3.20 -0.30 3.79 -2.24 -1.26 -4.78 114.28 112.10 1mx5 n THR 3331Ca -0.05 -0.50 0.03 0.00 -2.27 0.00 0.00 64.05 61.26 1mx5 n THR 3331Cb 0.61 -1.18 0.17 0.00 -2.10 0.00 0.00 70.33 67.84 1mx5 n THR 3331CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1mx5 h PRO 3332N 0.91 0.80 -0.01 -0.78 0.11 -1.99 0.02 132.00 131.05 1mx5 h PRO 3332Ca -0.47 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1mx5 h PRO 3332Cb 1.35 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 1mx5 h PRO 3332CO 0.53 0.53 0.04 0.93 -0.21 0.00 0.00 178.00 179.82 1mx5 h GLU 3333N 0.83 0.00 0.00 1.05 3.07 -1.90 -0.51 114.58 117.12 1mx5 h GLU 3333Ca 0.41 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.27 1mx5 h GLU 3333Cb 0.37 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.28 1mx5 h GLU 3333CO -0.25 0.00 -1.16 0.39 -1.40 0.00 0.00 179.01 176.59 1mx5 n GLU 3334N -3.31 0.26 0.03 2.33 1.02 -0.05 -4.02 120.64 116.89 1mx5 n GLU 3334Ca -0.03 -0.04 0.04 0.00 -0.02 0.00 0.00 57.16 57.12 1mx5 n GLU 3334Cb 0.12 -1.55 -0.08 0.00 -0.02 0.00 0.00 31.44 29.90 1mx5 n GLU 3334CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1mx5 n LEU 3335N -1.86 0.63 0.13 -4.62 4.77 -0.26 -3.18 117.00 112.61 1mx5 n LEU 3335Ca 0.02 0.27 -0.23 0.00 -0.03 0.00 0.00 56.01 56.03 1mx5 n LEU 3335Cb 0.43 0.07 -0.15 0.00 -2.33 0.00 0.00 43.42 41.43 1mx5 n LEU 3335CO 0.42 0.06 -0.16 1.56 -1.33 0.00 0.00 177.39 177.94 1mx5 h GLN 3336N 0.00 0.54 -0.00 3.23 4.20 -1.58 -3.16 115.11 118.34 1mx5 h GLN 3336Ca -0.13 -0.85 -0.15 0.00 0.06 0.00 0.00 58.65 57.58 1mx5 h GLN 3336Cb 1.39 0.31 -0.02 0.00 0.30 0.00 0.00 27.48 29.46 1mx5 h GLN 3336CO 0.02 1.40 -0.70 0.00 -0.67 0.00 0.00 178.83 178.89 1mx5 h ALA 3337N 0.25 0.84 0.00 3.87 0.00 -1.74 -2.56 119.26 119.93 1mx5 h ALA 3337Ca -0.22 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.06 1mx5 h ALA 3337Cb 2.07 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.76 1mx5 h ALA 3337CO 0.26 0.86 0.00 1.49 0.00 0.00 0.00 179.25 181.86 1mx5 h GLU 3338N 0.01 0.00 -0.93 0.00 4.81 -1.56 -3.45 114.58 113.46 1mx5 h GLU 3338Ca -0.01 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 58.95 1mx5 h GLU 3338Cb 1.23 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 30.51 1mx5 h GLU 3338CO 0.09 0.00 -0.24 -2.13 -0.73 0.00 0.00 179.01 176.00 1mx5 n ARG 3339N -2.61 -1.51 -3.21 1.92 3.00 -0.96 -4.89 116.66 108.39 1mx5 n ARG 3339Ca -0.01 0.86 -0.46 0.00 -0.00 0.00 0.00 57.85 58.24 1mx5 n ARG 3339Cb 0.13 -5.12 -0.03 0.00 0.00 0.00 0.00 32.46 27.43 1mx5 n ARG 3339CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.63 178.84 1mx5 s ASN 3340N -2.24 6.52 0.00 6.15 2.47 -1.23 -4.93 114.94 121.68 1mx5 s ASN 3340Ca 0.00 -2.16 0.00 0.00 0.42 0.00 0.00 52.86 51.12 1mx5 s ASN 3340Cb 0.00 -2.26 0.00 0.00 -1.45 0.00 0.00 41.25 37.54 1mx5 s ASN 3340CO 0.00 -0.82 0.00 2.22 -3.72 0.00 0.00 177.10 174.78 1mx5 n PHE 3341N 5.13 0.00 -1.31 0.43 1.16 -1.26 -4.92 117.46 116.69 1mx5 n PHE 3341Ca 0.06 0.00 -0.48 0.00 -1.87 0.00 0.00 57.45 55.15 1mx5 n PHE 3341Cb 0.45 0.00 -0.05 0.00 -1.61 0.00 0.00 39.48 38.27 1mx5 n PHE 3341CO 0.00 0.00 0.00 -2.39 -1.87 0.00 0.00 176.76 172.50 1mx5 n HIS 3342N 0.00 0.08 -3.11 2.97 -0.00 -1.26 -4.86 115.22 109.04 1mx5 n HIS 3342Ca 0.00 0.92 -0.40 0.00 -0.00 0.00 0.00 57.72 58.24 1mx5 n HIS 3342Cb 0.00 -1.83 -0.06 0.00 -0.00 0.00 0.00 29.99 28.11 1mx5 n HIS 3342CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.34 177.29 1mx5 s THR 3343N -0.44 5.03 0.04 0.61 -4.23 -1.26 -5.05 115.64 110.35 1mx5 s THR 3343Ca 0.70 1.24 0.00 0.00 -1.18 0.00 0.00 61.69 62.45 1mx5 s THR 3343Cb -1.00 -3.96 -0.03 0.00 1.34 0.00 0.00 72.50 68.85 1mx5 s THR 3343CO 0.51 0.15 -0.04 0.68 -0.54 0.00 0.00 174.62 175.38 1mx5 s VAL 3344N 1.60 0.27 0.20 2.29 -7.23 -1.26 -5.05 120.40 111.22 1mx5 s VAL 3344Ca 0.31 -1.40 -0.32 0.00 -1.81 0.00 0.00 61.98 58.75 1mx5 s VAL 3344Cb -0.16 -0.96 -0.11 0.00 0.56 0.00 0.00 36.38 35.70 1mx5 s VAL 3344CO 0.12 -0.73 1.67 -2.84 -0.31 0.00 0.00 175.10 173.01 1mx5 s PRO 3345N -2.72 4.15 -0.08 4.82 0.02 -1.25 -4.58 135.00 135.36 1mx5 s PRO 3345Ca -0.03 2.53 0.03 0.00 0.02 0.00 0.00 61.00 63.55 1mx5 s PRO 3345Cb -0.01 -3.10 0.01 0.00 0.02 0.00 0.00 34.50 31.42 1mx5 s PRO 3345CO -0.05 -0.70 -0.17 -0.47 -0.33 0.00 0.00 177.00 175.28 1mx5 s TYR 3346N 1.12 1.93 -0.25 6.54 6.04 -0.38 -1.28 117.35 131.07 1mx5 s TYR 3346Ca 0.73 -0.76 -0.01 0.00 0.04 0.00 0.00 57.07 57.07 1mx5 s TYR 3346Cb -0.48 -1.34 0.03 0.00 -1.04 0.00 0.00 41.96 39.13 1mx5 s TYR 3346CO 0.32 -0.34 -0.06 1.41 -1.54 0.00 0.00 175.55 175.34 1mx5 s MET 3347N 0.53 2.79 -0.11 4.97 -2.45 0.25 -1.76 119.30 123.53 1mx5 s MET 3347Ca -0.16 -1.00 -0.00 0.00 -1.25 0.00 0.00 55.69 53.27 1mx5 s MET 3347Cb -0.17 -2.98 -0.02 0.00 1.25 0.00 0.00 34.83 32.91 1mx5 s MET 3347CO 0.06 -0.41 -0.10 0.08 1.05 0.00 0.00 175.02 175.70 1mx5 s VAL 3348N 1.31 3.39 0.07 10.11 1.01 0.33 -0.62 120.40 136.00 1mx5 s VAL 3348Ca -0.00 -0.56 -0.15 0.00 0.00 0.00 0.00 61.98 61.27 1mx5 s VAL 3348Cb -0.17 -2.41 0.02 0.00 0.00 0.00 0.00 36.38 33.82 1mx5 s VAL 3348CO -0.05 0.55 0.34 -0.83 0.00 0.00 0.00 175.10 175.11 1mx5 s GLY 3349N -0.10 -0.17 0.31 4.51 0.00 -0.87 -2.79 107.32 108.21 1mx5 s GLY 3349Ca -0.00 -0.04 0.03 0.00 0.00 0.00 0.00 44.72 44.71 1mx5 s GLY 3349CO 0.03 -0.27 0.11 -0.26 0.00 0.00 0.00 173.10 172.71 1mx5 s ILE 3350N -3.10 0.64 0.17 0.90 -4.36 -0.59 -0.51 121.20 114.36 1mx5 s ILE 3350Ca -0.01 -2.00 0.08 0.00 -0.26 0.00 0.00 60.65 58.46 1mx5 s ILE 3350Cb 0.01 -2.59 -0.04 0.00 1.25 0.00 0.00 42.46 41.09 1mx5 s ILE 3350CO -0.07 0.00 -0.03 0.20 0.24 0.00 0.00 174.94 175.28 1mx5 s ASN 3351N -3.42 4.61 0.15 4.36 0.02 -1.26 -0.56 114.94 118.84 1mx5 s ASN 3351Ca 0.35 -0.45 -0.28 0.00 -1.02 0.00 0.00 52.86 51.45 1mx5 s ASN 3351Cb 0.06 -0.92 -0.02 0.00 0.02 0.00 0.00 41.25 40.39 1mx5 s ASN 3351CO 0.15 0.09 1.56 0.50 0.02 0.00 0.00 177.10 179.43 1mx5 h LYS 3352N 2.78 -0.31 -2.85 -0.60 1.63 -0.80 -3.26 116.57 113.16 1mx5 h LYS 3352Ca -0.47 0.02 -0.64 0.00 -0.85 0.00 0.00 60.65 58.72 1mx5 h LYS 3352Cb 1.20 0.07 -0.40 0.00 -0.60 0.00 0.00 32.23 32.50 1mx5 h LYS 3352CO 0.57 -0.20 -0.43 1.04 -3.45 0.00 0.00 179.45 176.97 1mx5 n GLN 3353N -5.40 2.30 0.28 1.90 6.02 0.21 -4.93 117.38 117.76 1mx5 n GLN 3353Ca -0.01 -4.55 0.14 0.00 -0.01 0.00 0.00 57.00 52.57 1mx5 n GLN 3353Cb 0.35 -2.31 0.83 0.00 1.02 0.00 0.00 30.24 30.12 1mx5 n GLN 3353CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1mx5 h GLU 3354N 5.12 0.00 -0.17 -1.09 4.39 -1.64 -1.17 114.58 120.02 1mx5 h GLU 3354Ca 0.17 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.81 1mx5 h GLU 3354Cb 0.73 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.34 1mx5 h GLU 3354CO 0.81 0.05 -0.17 0.34 -1.16 0.00 0.00 179.01 178.87 1mx5 n PHE 3355N -3.84 0.54 0.00 4.33 -0.00 -1.26 -3.83 117.46 113.40 1mx5 n PHE 3355Ca -0.03 -1.33 0.00 0.00 -0.00 0.00 0.00 57.45 56.09 1mx5 n PHE 3355Cb 0.14 -0.33 0.00 0.00 -0.00 0.00 0.00 39.48 39.29 1mx5 n PHE 3355CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1mx5 n GLY 3356N -1.09 -2.69 1.23 7.13 0.00 -0.45 -4.73 105.19 104.58 1mx5 n GLY 3356Ca 0.24 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.44 1mx5 n GLY 3356CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1mx5 n TRP 3357N -2.17 0.00 0.00 1.61 -0.00 -1.26 -4.92 117.44 110.70 1mx5 n TRP 3357Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.50 1mx5 n TRP 3357Cb 0.00 0.25 0.00 0.00 -0.00 0.00 0.00 31.31 31.56 1mx5 n TRP 3357CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 177.69 177.58 1mx5 n LEU 3358N -2.43 0.00 -0.27 5.87 7.94 -1.26 -1.12 117.00 125.72 1mx5 n LEU 3358Ca 0.00 0.96 0.07 0.00 -1.11 0.00 0.00 56.01 55.94 1mx5 n LEU 3358Cb 0.16 -0.46 0.22 0.00 0.53 0.00 0.00 43.42 43.86 1mx5 n LEU 3358CO 0.00 -0.46 1.00 0.40 -1.11 0.00 0.00 177.39 177.22 1mx5 h ILE 3359N 0.00 0.57 -0.18 1.96 2.04 -1.90 -0.04 117.51 119.96 1mx5 h ILE 3359Ca 0.00 -0.13 -0.03 0.00 1.00 0.00 0.00 64.86 65.70 1mx5 h ILE 3359Cb 0.00 0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.22 1mx5 h ILE 3359CO 0.00 0.07 -0.01 -0.65 0.00 0.00 0.00 178.15 177.57 1mx5 h PRO 3360N 0.39 0.33 -0.79 2.37 0.11 -1.84 -1.86 132.00 130.72 1mx5 h PRO 3360Ca 0.45 -0.11 0.06 0.00 0.11 0.00 0.00 66.00 66.51 1mx5 h PRO 3360Cb 0.76 -0.03 -0.06 0.00 0.11 0.00 0.00 31.00 31.78 1mx5 h PRO 3360CO -0.47 0.54 0.48 1.98 -0.21 0.00 0.00 178.00 180.32 1mx5 h MET 3361N 0.08 0.85 0.00 1.05 1.85 -0.49 0.22 114.93 118.48 1mx5 h MET 3361Ca 0.05 -0.05 0.00 0.00 -0.61 0.00 0.00 59.70 59.09 1mx5 h MET 3361Cb 0.40 -0.19 0.00 0.00 0.43 0.00 0.00 31.60 32.24 1mx5 h MET 3361CO 0.01 0.56 0.00 1.28 -0.40 0.00 0.00 176.91 178.36 1mx5 n LEU 3363N -4.67 0.05 -0.53 3.39 4.77 -0.09 -2.78 117.00 117.13 1mx5 n LEU 3363Ca 0.11 0.51 0.07 0.00 -0.03 0.00 0.00 56.01 56.66 1mx5 n LEU 3363Cb 0.17 -0.49 0.05 0.00 -2.33 0.00 0.00 43.42 40.82 1mx5 n LEU 3363CO 0.31 -0.09 0.46 0.23 -1.33 0.00 0.00 177.39 176.96 1mx5 n MET 3364N -1.55 0.88 -3.29 3.23 2.81 -0.39 -4.79 117.12 114.02 1mx5 n MET 3364Ca 0.06 -1.29 -0.16 0.00 -1.81 0.00 0.00 57.70 54.50 1mx5 n MET 3364Cb 0.29 -1.26 0.08 0.00 -0.71 0.00 0.00 33.22 31.62 1mx5 n MET 3364CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1mx5 n SER 3365N 0.74 -2.63 -4.76 7.83 7.64 -0.07 -2.98 113.62 119.39 1mx5 n SER 3365Ca 0.08 -0.53 -0.41 0.00 1.01 0.00 0.00 58.87 59.01 1mx5 n SER 3365Cb 0.33 -4.56 -0.03 0.00 -1.01 0.00 0.00 64.21 58.95 1mx5 n SER 3365CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1mx5 s TYR 3366N -3.31 3.17 -1.03 1.43 1.51 -0.79 -4.84 117.35 113.48 1mx5 s TYR 3366Ca 0.08 1.38 -0.21 0.00 -1.01 0.00 0.00 57.07 57.31 1mx5 s TYR 3366Cb -0.04 -3.62 -0.10 0.00 -0.11 0.00 0.00 41.96 38.10 1mx5 s TYR 3366CO 0.64 -1.74 1.93 -2.30 -1.11 0.00 0.00 175.55 172.98 1mx5 n PRO 3367N 1.39 1.81 -0.24 -1.71 -0.02 -1.26 -4.36 135.00 130.61 1mx5 n PRO 3367Ca 0.02 -2.28 0.02 0.00 -2.02 0.00 0.00 63.50 59.24 1mx5 n PRO 3367Cb 0.42 -3.31 0.03 0.00 -0.02 0.00 0.00 33.50 30.62 1mx5 n PRO 3367CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1mx5 n LEU 3368N 10.12 0.72 0.33 2.45 4.77 -1.26 -4.76 117.00 129.37 1mx5 n LEU 3368Ca 0.48 -1.32 0.18 0.00 -0.03 0.00 0.00 56.01 55.32 1mx5 n LEU 3368Cb 0.43 -0.09 0.98 0.00 -2.33 0.00 0.00 43.42 42.41 1mx5 n LEU 3368CO 0.87 0.32 1.15 -1.28 -1.33 0.00 0.00 177.39 177.12 1mx5 h SER 3369N 0.00 0.00 -0.63 -1.43 0.87 -1.97 -1.71 113.55 108.67 1mx5 h SER 3369Ca 0.00 0.00 0.02 0.00 -1.23 0.00 0.00 61.79 60.58 1mx5 h SER 3369Cb 1.12 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.05 1mx5 h SER 3369CO 0.00 0.00 0.41 -0.33 -0.53 0.00 0.00 176.83 176.38 1mx5 h GLU 3370N 0.00 0.80 0.00 2.24 4.39 -1.96 -3.46 114.58 116.59 1mx5 h GLU 3370Ca 0.01 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.66 1mx5 h GLU 3370Cb 0.41 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 28.88 1mx5 h GLU 3370CO -0.00 0.53 0.00 0.41 -1.16 0.00 0.00 179.01 178.79 1mx5 n GLY 3371N -1.27 2.00 3.09 -3.84 0.00 -0.65 -4.98 105.19 99.54 1mx5 n GLY 3371Ca 0.05 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.98 1mx5 n GLY 3371CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1mx5 s GLN 3372N -0.32 0.62 -0.23 1.61 -2.07 -1.26 -4.52 119.66 113.49 1mx5 s GLN 3372Ca 0.00 -1.09 -0.10 0.00 -1.82 0.00 0.00 55.36 52.36 1mx5 s GLN 3372Cb 0.00 -0.02 0.09 0.00 -1.09 0.00 0.00 33.01 31.99 1mx5 s GLN 3372CO 0.00 -0.04 0.51 -1.17 -1.32 0.00 0.00 175.29 173.27 1mx5 s LEU 3373N -2.51 -0.68 0.77 2.60 2.96 -0.14 -4.90 118.68 116.78 1mx5 s LEU 3373Ca 0.02 1.18 -0.06 0.00 -0.22 0.00 0.00 54.13 55.06 1mx5 s LEU 3373Cb 0.01 1.73 0.13 0.00 0.50 0.00 0.00 46.19 48.56 1mx5 s LEU 3373CO -0.05 -0.22 1.08 1.51 -1.32 0.00 0.00 176.35 177.34 1mx5 s ASP 3374N 2.26 4.16 0.23 3.68 3.84 -1.26 -4.38 116.67 125.20 1mx5 s ASP 3374Ca -0.06 0.01 0.25 0.00 -0.00 0.00 0.00 52.55 52.75 1mx5 s ASP 3374Cb -0.10 -0.38 0.90 0.00 -1.38 0.00 0.00 42.92 41.96 1mx5 s ASP 3374CO -0.15 -2.00 1.75 0.00 -0.00 0.00 0.00 175.17 174.76 1mx5 n GLN 3375N -3.08 0.23 -0.03 2.11 6.02 -1.26 -2.05 117.38 119.31 1mx5 n GLN 3375Ca 0.13 0.31 -0.16 0.00 -0.01 0.00 0.00 57.00 57.28 1mx5 n GLN 3375Cb 0.60 -1.84 -0.13 0.00 1.02 0.00 0.00 30.24 29.89 1mx5 n GLN 3375CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.06 175.83 1mx5 h LYS 3376N 0.00 0.10 -0.14 -1.09 1.63 -2.00 -2.98 116.57 112.09 1mx5 h LYS 3376Ca 0.00 -0.16 -0.11 0.00 -0.85 0.00 0.00 60.65 59.53 1mx5 h LYS 3376Cb 0.56 0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 32.23 1mx5 h LYS 3376CO 0.00 1.06 -0.41 1.15 -3.45 0.00 0.00 179.45 177.80 1mx5 h THR 3377N -0.78 1.31 0.35 1.00 2.02 -1.95 -2.63 112.91 112.22 1mx5 h THR 3377Ca -0.04 -1.53 -0.02 0.00 0.77 0.00 0.00 66.41 65.59 1mx5 h THR 3377Cb 1.18 1.65 0.00 0.00 -1.74 0.00 0.00 68.15 69.24 1mx5 h THR 3377CO 0.05 0.46 -0.17 0.00 0.37 0.00 0.00 175.52 176.23 1mx5 h ALA 3378N 1.32 -0.47 -0.63 6.16 0.00 -1.51 0.56 119.26 124.67 1mx5 h ALA 3378Ca 0.02 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1mx5 h ALA 3378Cb 0.83 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 1mx5 h ALA 3378CO 0.07 -0.76 0.38 0.52 0.00 0.00 0.00 179.25 179.45 1mx5 h MET 3379N -0.48 0.86 -0.03 0.00 2.07 -1.49 0.96 114.93 116.82 1mx5 h MET 3379Ca -0.05 -0.07 -0.01 0.00 -2.07 0.00 0.00 59.70 57.50 1mx5 h MET 3379Cb 0.37 -0.18 -0.00 0.00 -1.87 0.00 0.00 31.60 29.91 1mx5 h MET 3379CO 0.08 0.60 -0.00 0.77 1.07 0.00 0.00 176.91 179.43 1mx5 h SER 3380N 0.87 0.06 -0.70 1.22 0.02 -1.11 -0.95 113.55 112.97 1mx5 h SER 3380Ca 0.23 -0.34 -0.05 0.00 -0.84 0.00 0.00 61.79 60.79 1mx5 h SER 3380Cb -0.03 -0.02 -0.03 0.00 0.14 0.00 0.00 62.40 62.46 1mx5 h SER 3380CO -0.04 0.39 0.22 0.25 -1.14 0.00 0.00 176.83 176.50 1mx5 h LEU 3381N -0.26 1.01 -0.46 5.07 6.46 0.77 -0.19 115.31 127.70 1mx5 h LEU 3381Ca 0.01 -0.21 -0.02 0.00 -0.12 0.00 0.00 57.88 57.55 1mx5 h LEU 3381Cb 0.36 -0.27 -0.02 0.00 -0.73 0.00 0.00 40.66 40.00 1mx5 h LEU 3381CO 0.00 0.95 0.23 0.25 -0.62 0.00 0.00 178.44 179.25 1mx5 h LEU 3382N 1.02 0.60 -0.16 2.25 5.85 0.10 0.80 115.31 125.78 1mx5 h LEU 3382Ca 0.23 -0.12 0.01 0.00 0.84 0.00 0.00 57.88 58.83 1mx5 h LEU 3382Cb 0.30 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 1mx5 h LEU 3382CO -0.01 0.55 0.08 -0.25 -0.34 0.00 0.00 178.44 178.48 1mx5 h TRP 3383N 0.60 0.16 -0.00 1.25 -0.00 -0.90 0.12 115.95 117.18 1mx5 h TRP 3383Ca 0.16 0.01 0.00 0.00 -0.00 0.00 0.00 58.89 59.06 1mx5 h TRP 3383Cb 0.11 -0.05 -0.00 0.00 -0.00 0.00 0.00 29.16 29.22 1mx5 h TRP 3383CO -0.01 0.09 0.04 0.87 -0.00 0.00 0.00 178.44 179.44 1mx5 h LYS 3384N 0.18 0.00 -0.20 2.65 1.79 -0.45 -0.20 116.57 120.33 1mx5 h LYS 3384Ca 0.06 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.53 1mx5 h LYS 3384Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1mx5 h LYS 3384CO -0.03 0.00 0.00 0.43 -1.08 0.00 0.00 179.45 178.77 1mx5 n SER 3385N -3.10 1.42 -0.31 0.86 7.64 0.22 -4.45 113.62 115.91 1mx5 n SER 3385Ca -0.03 -1.80 0.17 0.00 1.01 0.00 0.00 58.87 58.21 1mx5 n SER 3385Cb 0.11 -0.13 0.35 0.00 -1.01 0.00 0.00 64.21 63.53 1mx5 n SER 3385CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 1mx5 h TYR 3386N 1.73 0.58 0.00 1.43 3.20 -0.94 0.31 116.97 123.28 1mx5 h TYR 3386Ca 0.00 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.91 1mx5 h TYR 3386Cb 0.39 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.55 1mx5 h TYR 3386CO 0.13 -0.18 0.02 -1.00 -1.64 0.00 0.00 178.16 175.50 1mx5 h PRO 3387N 0.28 0.00 0.00 1.82 0.13 -1.79 -0.05 132.00 132.38 1mx5 h PRO 3387Ca 0.61 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.74 1mx5 h PRO 3387Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1mx5 h PRO 3387CO -0.62 0.00 -0.31 1.28 -0.23 0.00 0.00 178.00 178.11 1mx5 n LEU 3388N -2.70 0.65 0.19 1.56 4.77 0.10 -4.72 117.00 116.86 1mx5 n LEU 3388Ca -0.02 0.11 0.07 0.00 -0.03 0.00 0.00 56.01 56.13 1mx5 n LEU 3388Cb 0.07 -0.53 0.31 0.00 -2.33 0.00 0.00 43.42 40.95 1mx5 n LEU 3388CO 0.15 -0.44 0.69 -0.37 -1.33 0.00 0.00 177.39 176.09 1mx5 h VAL 3389N -0.31 0.73 -5.73 4.08 -1.51 -1.51 -3.37 116.25 108.62 1mx5 h VAL 3389Ca 0.00 -1.50 -0.23 0.00 -1.23 0.00 0.00 66.70 63.74 1mx5 h VAL 3389Cb 0.31 1.97 0.09 0.00 -2.13 0.00 0.00 31.29 31.53 1mx5 h VAL 3389CO 0.00 0.33 -0.61 0.00 -1.23 0.00 0.00 177.57 176.06 1mx5 s ILE 3391N -3.24 2.11 0.56 0.00 1.01 -1.26 -5.09 121.20 115.30 1mx5 s ILE 3391Ca 0.26 -1.00 -0.19 0.00 0.00 0.00 0.00 60.65 59.72 1mx5 s ILE 3391Cb -0.06 -1.81 -0.06 0.00 0.01 0.00 0.00 42.46 40.53 1mx5 s ILE 3391CO 0.79 0.56 0.90 0.00 0.00 0.00 0.00 174.94 177.19 1mx5 n ALA 3392N 3.59 -0.03 0.20 9.38 0.00 -1.26 -4.86 120.51 127.53 1mx5 n ALA 3392Ca -0.19 0.04 0.05 0.00 0.00 0.00 0.00 53.44 53.34 1mx5 n ALA 3392Cb 0.53 -2.06 0.42 0.00 0.00 0.00 0.00 19.45 18.34 1mx5 n ALA 3392CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1mx5 h LYS 3393N 0.65 0.00 0.00 0.00 3.64 -1.99 -2.35 116.57 116.51 1mx5 h LYS 3393Ca -0.47 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 1mx5 h LYS 3393Cb 1.36 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.18 1mx5 h LYS 3393CO 0.51 0.33 0.00 -0.85 -2.27 0.00 0.00 179.45 177.17 1mx5 n GLU 3394N -3.93 0.06 -0.01 1.90 0.00 -1.26 -3.10 120.64 114.31 1mx5 n GLU 3394Ca -0.02 0.12 0.11 0.00 0.00 0.00 0.00 57.16 57.37 1mx5 n GLU 3394Cb 0.39 -1.58 -0.15 0.00 0.00 0.00 0.00 31.44 30.10 1mx5 n GLU 3394CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1mx5 n LEU 3395N -1.69 0.43 -0.27 -1.84 4.77 -0.90 -4.51 117.00 112.98 1mx5 n LEU 3395Ca 0.06 -0.22 0.08 0.00 -0.03 0.00 0.00 56.01 55.90 1mx5 n LEU 3395Cb 0.32 0.00 0.22 0.00 -2.33 0.00 0.00 43.42 41.63 1mx5 n LEU 3395CO 0.24 0.11 0.97 0.40 -1.33 0.00 0.00 177.39 177.78 1mx5 h ILE 3396N 0.00 0.49 -0.44 -0.08 1.08 -1.45 -1.38 117.51 115.73 1mx5 h ILE 3396Ca 0.00 -0.11 0.03 0.00 -0.39 0.00 0.00 64.86 64.39 1mx5 h ILE 3396Cb 0.78 0.15 -0.03 0.00 -3.07 0.00 0.00 36.82 34.65 1mx5 h ILE 3396CO 0.00 0.06 0.24 -0.65 -0.69 0.00 0.00 178.15 177.11 1mx5 h PRO 3397N 0.31 0.47 0.32 2.37 0.11 -1.79 0.11 132.00 133.89 1mx5 h PRO 3397Ca 0.47 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.53 1mx5 h PRO 3397Cb 0.84 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.84 1mx5 h PRO 3397CO -0.53 0.31 -0.15 0.93 -0.21 0.00 0.00 178.00 178.35 1mx5 h GLU 3398N 0.48 -0.42 -0.21 1.05 5.08 -1.59 0.75 114.58 119.72 1mx5 h GLU 3398Ca 0.18 0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.62 1mx5 h GLU 3398Cb 0.05 0.09 -0.07 0.00 0.50 0.00 0.00 28.75 29.33 1mx5 h GLU 3398CO -0.11 -0.26 -0.45 0.00 -1.00 0.00 0.00 179.01 177.19 1mx5 h ALA 3399N 0.22 -0.62 0.96 3.43 0.00 -1.07 0.69 119.26 122.88 1mx5 h ALA 3399Ca -0.04 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1mx5 h ALA 3399Cb 0.35 0.87 0.01 0.00 0.00 0.00 0.00 17.79 19.01 1mx5 h ALA 3399CO 0.07 -0.95 -0.49 1.15 0.00 0.00 0.00 179.25 179.03 1mx5 h THR 3400N -0.47 0.00 -0.87 0.00 2.02 -0.82 -2.06 112.91 110.72 1mx5 h THR 3400Ca 0.08 0.00 0.23 0.00 0.77 0.00 0.00 66.41 67.49 1mx5 h THR 3400Cb 0.63 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 66.90 1mx5 h THR 3400CO -0.46 0.00 0.22 -0.08 0.37 0.00 0.00 175.52 175.57 1mx5 h GLU 3401N -1.33 0.19 -0.81 6.66 4.57 0.82 0.36 114.58 125.04 1mx5 h GLU 3401Ca -0.13 -0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.01 1mx5 h GLU 3401Cb 1.03 -0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 29.54 1mx5 h GLU 3401CO 0.20 0.13 0.39 -0.22 -1.18 0.00 0.00 179.01 178.32 1mx5 h LYS 3402N 0.20 1.16 0.01 1.92 1.63 0.65 -0.57 116.57 121.57 1mx5 h LYS 3402Ca 0.54 -0.17 -0.30 0.00 -0.85 0.00 0.00 60.65 59.87 1mx5 h LYS 3402Cb 1.08 -0.21 -0.04 0.00 -0.60 0.00 0.00 32.23 32.46 1mx5 h LYS 3402CO -0.66 0.90 -1.64 0.66 -3.45 0.00 0.00 179.45 175.25 1mx5 n TYR 3403N -4.35 0.75 0.03 1.91 4.02 -0.10 -4.56 117.16 114.86 1mx5 n TYR 3403Ca 0.08 0.31 -0.04 0.00 -0.01 0.00 0.00 57.90 58.24 1mx5 n TYR 3403Cb 0.14 -1.08 -0.10 0.00 -0.02 0.00 0.00 39.34 38.28 1mx5 n TYR 3403CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 1mx5 h LEU 3404N -0.94 0.00 -2.11 7.72 3.38 -0.53 -3.32 115.31 119.51 1mx5 h LEU 3404Ca -0.45 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.54 1mx5 h LEU 3404Cb 1.42 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.17 1mx5 h LEU 3404CO -0.25 0.78 0.31 1.23 0.09 0.00 0.00 178.44 180.60 1mx5 h GLY 3405N 3.53 0.00 -0.59 0.83 0.00 -0.93 -3.05 103.07 102.86 1mx5 h GLY 3405Ca -0.18 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.21 1mx5 h GLY 3405CO 0.07 0.00 -0.35 0.61 0.00 0.00 0.00 176.54 176.87 1mx5 n GLY 3406N -1.26 -2.50 0.00 4.60 0.00 -1.25 -4.83 105.19 99.95 1mx5 n GLY 3406Ca -0.00 0.88 0.00 0.00 0.00 0.00 0.00 46.02 46.90 1mx5 n GLY 3406CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1mx5 n THR 3407N -4.36 0.00 -0.02 2.61 -2.24 -1.15 -5.18 114.28 103.94 1mx5 n THR 3407Ca 0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 1mx5 n THR 3407Cb 0.15 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.38 1mx5 n THR 3407CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1mx5 n ASP 3408N -0.05 0.00 -2.72 3.42 8.00 -1.26 -4.97 116.55 118.98 1mx5 n ASP 3408Ca 0.00 0.00 -0.05 0.00 0.71 0.00 0.00 54.79 55.45 1mx5 n ASP 3408Cb 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.11 1mx5 n ASP 3408CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1mx5 n ASP 3409N 0.00 -7.13 -0.44 -2.24 -0.08 -1.26 -4.46 116.55 100.93 1mx5 n ASP 3409Ca 0.00 0.33 0.41 0.00 -1.51 0.00 0.00 54.79 54.02 1mx5 n ASP 3409Cb 0.00 -4.80 0.77 0.00 2.34 0.00 0.00 41.12 39.43 1mx5 n ASP 3409CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 1mx5 h THR 3410N 1.39 0.28 -0.08 5.18 1.35 -1.94 0.39 112.91 119.48 1mx5 h THR 3410Ca 0.00 -0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.84 1mx5 h THR 3410Cb 0.90 0.27 -0.00 0.00 -1.73 0.00 0.00 68.15 67.59 1mx5 h THR 3410CO 0.20 0.00 -0.03 0.58 -0.25 0.00 0.00 175.52 176.02 1mx5 h VAL 3411N 0.01 1.30 0.00 6.82 2.07 -1.81 -0.13 116.25 124.51 1mx5 h VAL 3411Ca 0.69 -0.98 0.00 0.00 0.82 0.00 0.00 66.70 67.23 1mx5 h VAL 3411Cb 2.71 1.80 0.00 0.00 -1.52 0.00 0.00 31.29 34.28 1mx5 h VAL 3411CO -0.03 0.27 0.00 0.50 0.02 0.00 0.00 177.57 178.34 1mx5 h LYS 3412N -0.19 0.00 0.21 1.57 3.64 -0.54 -2.62 116.57 118.63 1mx5 h LYS 3412Ca 0.02 0.00 -0.28 0.00 -1.27 0.00 0.00 60.65 59.12 1mx5 h LYS 3412Cb 0.44 0.00 0.03 0.00 -0.41 0.00 0.00 32.23 32.29 1mx5 h LYS 3412CO 0.01 0.00 -1.21 0.87 -2.27 0.00 0.00 179.45 176.85 1mx5 h LYS 3413N 0.00 0.45 -0.83 1.90 1.57 -0.78 -2.97 116.57 115.91 1mx5 h LYS 3413Ca 0.00 -0.76 0.15 0.00 -1.87 0.00 0.00 60.65 58.17 1mx5 h LYS 3413Cb 0.24 0.28 -0.06 0.00 0.08 0.00 0.00 32.23 32.77 1mx5 h LYS 3413CO 0.00 1.36 0.55 1.57 -0.57 0.00 0.00 179.45 182.36 1mx5 h LYS 3414N -0.07 0.52 -0.33 3.15 2.10 -0.95 0.52 116.57 121.51 1mx5 h LYS 3414Ca -0.21 -0.03 -0.17 0.00 -2.00 0.00 0.00 60.65 58.24 1mx5 h LYS 3414Cb 1.96 -0.12 -0.00 0.00 -0.90 0.00 0.00 32.23 33.17 1mx5 h LYS 3414CO 0.23 0.34 -0.46 -0.44 -2.00 0.00 0.00 179.45 177.12 1mx5 h ASP 3415N 0.54 0.98 0.80 7.07 3.32 -1.60 -0.35 116.42 127.17 1mx5 h ASP 3415Ca 0.42 -0.50 -0.02 0.00 0.02 0.00 0.00 57.03 56.94 1mx5 h ASP 3415Cb 0.83 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 40.10 1mx5 h ASP 3415CO -0.16 1.29 -0.10 -0.07 -1.72 0.00 0.00 179.24 178.47 1mx5 h LEU 3416N 0.70 0.00 -0.07 1.55 3.38 -0.72 0.45 115.31 120.60 1mx5 h LEU 3416Ca 0.04 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.80 1mx5 h LEU 3416Cb 1.06 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.83 1mx5 h LEU 3416CO 0.11 0.10 -0.77 0.15 0.09 0.00 0.00 178.44 178.11 1mx5 h PHE 3417N 0.00 0.92 -0.35 1.13 3.57 0.50 -2.25 116.94 120.45 1mx5 h PHE 3417Ca -0.00 -0.45 -0.10 0.00 3.53 0.00 0.00 57.97 60.95 1mx5 h PHE 3417Cb 0.53 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.13 1mx5 h PHE 3417CO 0.00 1.27 -0.19 -0.07 -2.23 0.00 0.00 178.31 177.09 1mx5 h LEU 3418N 0.31 0.66 -1.37 0.59 3.38 -0.07 -1.46 115.31 117.34 1mx5 h LEU 3418Ca -0.08 -0.21 -0.06 0.00 0.09 0.00 0.00 57.88 57.62 1mx5 h LEU 3418Cb 1.43 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 1mx5 h LEU 3418CO 0.16 0.85 -0.27 0.44 0.09 0.00 0.00 178.44 179.70 1mx5 h ASP 3419N 0.59 0.00 0.69 -0.43 3.32 -0.93 -1.75 116.42 117.92 1mx5 h ASP 3419Ca 0.09 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.11 1mx5 h ASP 3419Cb 0.64 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.20 1mx5 h ASP 3419CO 0.05 0.27 -0.33 0.25 -1.72 0.00 0.00 179.24 177.75 1mx5 h LEU 3420N 0.00 -0.79 -0.26 1.55 5.85 -0.67 -2.01 115.31 118.98 1mx5 h LEU 3420Ca -0.00 0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.80 1mx5 h LEU 3420Cb 0.62 0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.81 1mx5 h LEU 3420CO 0.04 -0.41 -0.08 0.40 -0.34 0.00 0.00 178.44 178.04 1mx5 h ILE 3421N -1.23 0.71 -0.51 4.05 1.08 -1.23 -2.44 117.51 117.94 1mx5 h ILE 3421Ca -0.10 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.47 1mx5 h ILE 3421Cb 0.72 0.71 -0.09 0.00 -3.07 0.00 0.00 36.82 35.09 1mx5 h ILE 3421CO 0.16 0.00 -0.02 0.00 -0.69 0.00 0.00 178.15 177.60 1mx5 h ALA 3422N 1.24 0.46 -0.47 1.87 0.00 -1.36 -0.64 119.26 120.36 1mx5 h ALA 3422Ca 0.13 0.16 -0.05 0.00 0.00 0.00 0.00 54.91 55.15 1mx5 h ALA 3422Cb 0.22 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1mx5 h ALA 3422CO -0.28 -0.40 0.08 -0.44 0.00 0.00 0.00 179.25 178.21 1mx5 h ASP 3423N 0.10 0.67 0.86 0.00 3.32 -0.98 0.48 116.42 120.87 1mx5 h ASP 3423Ca 0.26 -0.13 -0.14 0.00 0.02 0.00 0.00 57.03 57.05 1mx5 h ASP 3423Cb 0.39 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 1mx5 h ASP 3423CO -0.44 0.70 -0.65 0.58 -1.72 0.00 0.00 179.24 177.71 1mx5 h VAL 3424N 0.69 1.33 0.06 -1.35 2.07 -0.86 0.44 116.25 118.62 1mx5 h VAL 3424Ca 0.15 -2.32 -0.35 0.00 0.82 0.00 0.00 66.70 64.99 1mx5 h VAL 3424Cb 0.32 2.30 -0.04 0.00 -1.52 0.00 0.00 31.29 32.35 1mx5 h VAL 3424CO 0.00 0.63 -2.07 0.23 0.02 0.00 0.00 177.57 176.39 1mx5 n MET 3425N -3.57 0.70 0.00 1.57 2.81 -0.33 -4.69 117.12 113.61 1mx5 n MET 3425Ca -0.00 0.22 0.00 0.00 -1.81 0.00 0.00 57.70 56.11 1mx5 n MET 3425Cb 0.68 -1.67 0.00 0.00 -0.71 0.00 0.00 33.22 31.52 1mx5 n MET 3425CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 1mx5 n PHE 3426N -3.26 0.00 0.09 2.03 3.01 0.10 -4.48 117.46 114.95 1mx5 n PHE 3426Ca -0.31 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.03 1mx5 n PHE 3426Cb 1.05 0.13 -0.07 0.00 -0.01 0.00 0.00 39.48 40.58 1mx5 n PHE 3426CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 1mx5 h GLY 3427N 0.00 -1.18 0.82 1.37 0.00 -1.28 -1.33 103.07 101.48 1mx5 h GLY 3427Ca 0.00 0.61 -0.02 0.00 0.00 0.00 0.00 47.33 47.92 1mx5 h GLY 3427CO 0.00 -0.33 -0.16 -2.08 0.00 0.00 0.00 176.54 173.97 1mx5 h VAL 3428N -0.54 0.68 -0.49 4.60 2.07 -0.39 -2.96 116.25 119.21 1mx5 h VAL 3428Ca -0.01 -0.33 0.10 0.00 0.82 0.00 0.00 66.70 67.28 1mx5 h VAL 3428Cb 0.54 0.85 -0.10 0.00 -1.52 0.00 0.00 31.29 31.07 1mx5 h VAL 3428CO -0.20 0.07 -0.16 -0.65 0.02 0.00 0.00 177.57 176.65 1mx5 h PRO 3429N -0.64 -0.05 0.25 1.57 0.11 -1.74 -1.18 132.00 130.32 1mx5 h PRO 3429Ca -0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.07 1mx5 h PRO 3429Cb 0.46 0.01 -0.04 0.00 0.11 0.00 0.00 31.00 31.54 1mx5 h PRO 3429CO 0.08 -0.03 -0.52 0.77 -0.21 0.00 0.00 178.00 178.09 1mx5 h SER 3430N -0.05 -1.51 -0.34 -2.05 0.02 -1.25 0.77 113.55 109.15 1mx5 h SER 3430Ca 0.24 0.15 0.06 0.00 -0.84 0.00 0.00 61.79 61.39 1mx5 h SER 3430Cb 0.41 0.54 -0.06 0.00 0.14 0.00 0.00 62.40 63.43 1mx5 h SER 3430CO -0.53 -0.59 -0.03 0.58 -1.14 0.00 0.00 176.83 175.13 1mx5 h VAL 3431N -0.83 0.72 -0.17 2.27 2.07 -1.34 0.15 116.25 119.13 1mx5 h VAL 3431Ca -0.03 -0.02 0.05 0.00 0.82 0.00 0.00 66.70 67.52 1mx5 h VAL 3431Cb 0.79 0.65 -0.06 0.00 -1.52 0.00 0.00 31.29 31.15 1mx5 h VAL 3431CO -0.21 0.01 -0.25 0.40 0.02 0.00 0.00 177.57 177.54 1mx5 h ILE 3432N 0.07 0.39 -0.46 4.57 2.04 -0.92 0.14 117.51 123.32 1mx5 h ILE 3432Ca 0.16 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.09 1mx5 h ILE 3432Cb 0.23 0.39 -0.06 0.00 -0.74 0.00 0.00 36.82 36.64 1mx5 h ILE 3432CO -0.30 0.00 0.13 0.58 0.00 0.00 0.00 178.15 178.57 1mx5 h VAL 3433N -0.30 0.80 -0.01 1.67 2.07 0.00 -1.26 116.25 119.21 1mx5 h VAL 3433Ca 0.11 -0.10 0.03 0.00 0.82 0.00 0.00 66.70 67.56 1mx5 h VAL 3433Cb 0.47 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 30.69 1mx5 h VAL 3433CO -0.34 0.05 -0.19 0.00 0.02 0.00 0.00 177.57 177.11 1mx5 h ALA 3434N 1.33 -0.22 -0.60 1.67 0.00 0.22 -0.74 119.26 120.92 1mx5 h ALA 3434Ca 0.23 0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.22 1mx5 h ALA 3434Cb 0.26 0.34 -0.06 0.00 0.00 0.00 0.00 17.79 18.32 1mx5 h ALA 3434CO -0.26 -0.68 0.26 0.00 0.00 0.00 0.00 179.25 178.57 1mx5 h ARG 3435N -0.30 0.46 -0.78 0.00 3.08 -0.25 0.24 114.38 116.83 1mx5 h ARG 3435Ca 0.06 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 60.05 1mx5 h ARG 3435Cb 0.38 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.29 1mx5 h ARG 3435CO -0.19 0.30 0.35 -0.91 -1.07 0.00 0.00 179.97 178.45 1mx5 h ASN 3436N 0.47 1.03 -0.24 7.04 4.21 -0.84 0.12 115.58 127.36 1mx5 h ASN 3436Ca 0.29 -0.14 -0.03 0.00 1.21 0.00 0.00 56.30 57.64 1mx5 h ASN 3436Cb 0.31 -0.27 -0.01 0.00 -1.12 0.00 0.00 38.32 37.23 1mx5 h ASN 3436CO -0.26 0.89 0.04 -0.74 -1.29 0.00 0.00 177.43 176.07 1mx5 h HIS 3437N 1.11 0.43 -0.43 1.19 2.76 -0.10 -1.65 115.15 118.46 1mx5 h HIS 3437Ca 0.26 -0.06 0.04 0.00 -2.20 0.00 0.00 60.37 58.42 1mx5 h HIS 3437Cb 0.15 -0.12 -0.04 0.00 1.55 0.00 0.00 27.41 28.96 1mx5 h HIS 3437CO 0.02 0.53 0.18 -0.09 -1.30 0.00 0.00 177.93 177.27 1mx5 h ARG 3438N 0.20 0.36 0.00 5.26 2.43 -0.11 -0.66 114.38 121.86 1mx5 h ARG 3438Ca 0.07 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 1mx5 h ARG 3438Cb 0.33 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 1mx5 h ARG 3438CO 0.01 0.24 0.00 -0.44 -1.51 0.00 0.00 179.97 178.27 1mx5 h ASP 3439N 0.37 0.00 -0.01 -3.80 3.32 -0.61 0.74 116.42 116.44 1mx5 h ASP 3439Ca 0.19 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.24 1mx5 h ASP 3439Cb 0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.69 1mx5 h ASP 3439CO -0.16 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.36 1mx5 n ALA 3440N -1.93 2.63 -3.00 3.45 0.00 -0.26 -4.88 120.51 116.53 1mx5 n ALA 3440Ca 0.00 -0.18 -0.11 0.00 0.00 0.00 0.00 53.44 53.15 1mx5 n ALA 3440Cb 0.19 -1.36 0.04 0.00 0.00 0.00 0.00 19.45 18.32 1mx5 n ALA 3440CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mx5 n GLY 3441N 0.90 0.23 3.19 0.00 0.00 0.25 -5.03 105.19 104.73 1mx5 n GLY 3441Ca 0.18 -0.23 -0.23 0.00 0.00 0.00 0.00 46.02 45.74 1mx5 n GLY 3441CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mx5 s ALA 3442N -3.15 1.44 -0.05 4.61 0.00 -1.20 -5.06 121.76 118.35 1mx5 s ALA 3442Ca 0.26 -0.90 -0.37 0.00 0.00 0.00 0.00 51.96 50.95 1mx5 s ALA 3442Cb -0.11 -0.27 -0.15 0.00 0.00 0.00 0.00 23.12 22.59 1mx5 s ALA 3442CO 0.35 0.31 1.61 -2.30 0.00 0.00 0.00 175.76 175.73 1mx5 n PRO 3443N 1.99 1.52 -4.39 0.00 -0.02 -1.26 -4.32 135.00 128.53 1mx5 n PRO 3443Ca -0.17 0.55 -0.19 0.00 -2.02 0.00 0.00 63.50 61.67 1mx5 n PRO 3443Cb 0.54 -2.27 -0.15 0.00 -0.02 0.00 0.00 33.50 31.60 1mx5 n PRO 3443CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1mx5 s THR 3444N 2.22 0.77 -0.01 3.45 2.01 -1.26 -1.25 115.64 121.57 1mx5 s THR 3444Ca 0.89 -0.47 -0.00 0.00 0.31 0.00 0.00 61.69 62.43 1mx5 s THR 3444Cb -0.89 -0.65 0.01 0.00 0.01 0.00 0.00 72.50 70.97 1mx5 s THR 3444CO 0.52 0.18 0.01 -0.31 -0.69 0.00 0.00 174.62 174.33 1mx5 s TYR 3445N -0.30 0.00 0.21 4.92 2.02 -0.72 0.14 117.35 123.62 1mx5 s TYR 3445Ca 0.03 0.04 0.07 0.00 -0.37 0.00 0.00 57.07 56.84 1mx5 s TYR 3445Cb -0.04 -0.05 -0.05 0.00 -0.40 0.00 0.00 41.96 41.42 1mx5 s TYR 3445CO -0.00 -0.02 -0.13 -1.64 -1.57 0.00 0.00 175.55 172.19 1mx5 s MET 3446N 0.22 1.33 0.14 -0.62 -1.94 -1.25 -0.51 119.30 116.67 1mx5 s MET 3446Ca -0.02 -1.60 -0.21 0.00 -1.71 0.00 0.00 55.69 52.15 1mx5 s MET 3446Cb -0.03 -1.07 0.06 0.00 2.01 0.00 0.00 34.83 35.80 1mx5 s MET 3446CO -0.01 0.15 0.54 1.52 -0.01 0.00 0.00 175.02 177.22 1mx5 s TYR 3447N -3.02 -0.45 -0.09 -0.03 1.13 -1.12 -1.83 117.35 111.94 1mx5 s TYR 3447Ca 0.23 0.22 -0.01 0.00 -1.41 0.00 0.00 57.07 56.10 1mx5 s TYR 3447Cb 0.00 0.47 0.03 0.00 -1.10 0.00 0.00 41.96 41.36 1mx5 s TYR 3447CO 0.07 -0.80 -0.03 -2.00 -2.51 0.00 0.00 175.55 170.28 1mx5 s GLU 3448N -3.69 1.00 -0.24 -3.49 2.12 -0.44 -1.54 118.70 112.42 1mx5 s GLU 3448Ca 0.01 -0.05 -0.18 0.00 0.36 0.00 0.00 54.97 55.11 1mx5 s GLU 3448Cb -0.00 -1.22 -0.03 0.00 0.26 0.00 0.00 34.13 33.14 1mx5 s GLU 3448CO -0.12 -0.28 0.52 0.12 -0.54 0.00 0.00 175.26 174.95 1mx5 s PHE 3449N 1.83 3.31 -0.42 5.30 5.36 0.28 -1.60 117.98 132.04 1mx5 s PHE 3449Ca 0.05 0.69 0.02 0.00 -0.96 0.00 0.00 56.93 56.73 1mx5 s PHE 3449Cb -0.12 -2.70 0.14 0.00 -0.34 0.00 0.00 43.02 39.99 1mx5 s PHE 3449CO -0.06 -0.21 0.24 -1.14 -1.46 0.00 0.00 175.22 172.59 1mx5 s GLN 3450N 2.03 1.12 -0.03 10.12 0.74 0.26 -0.70 119.66 133.20 1mx5 s GLN 3450Ca 0.22 -1.87 -0.30 0.00 0.05 0.00 0.00 55.36 53.46 1mx5 s GLN 3450Cb -0.15 -2.08 0.07 0.00 1.10 0.00 0.00 33.01 31.95 1mx5 s GLN 3450CO 0.09 -1.18 0.69 -0.47 -0.55 0.00 0.00 175.29 173.87 1mx5 s TYR 3451N 0.48 -0.63 -0.45 1.67 5.04 -1.26 -4.36 117.35 117.85 1mx5 s TYR 3451Ca 0.18 0.99 -0.02 0.00 -2.44 0.00 0.00 57.07 55.79 1mx5 s TYR 3451Cb -0.23 0.43 0.12 0.00 0.35 0.00 0.00 41.96 42.64 1mx5 s TYR 3451CO -0.01 -0.62 0.23 0.50 -1.34 0.00 0.00 175.55 174.31 1mx5 s ARG 3452N -1.53 2.05 0.46 4.97 3.52 -1.26 -1.87 118.95 125.29 1mx5 s ARG 3452Ca -0.09 -2.00 -0.22 0.00 -0.13 0.00 0.00 55.73 53.29 1mx5 s ARG 3452Cb -0.00 -3.56 -0.10 0.00 -1.56 0.00 0.00 34.95 29.73 1mx5 s ARG 3452CO 0.06 -1.08 0.85 -0.35 -0.81 0.00 0.00 175.30 173.97 1mx5 n PRO 3453N 4.28 1.02 0.00 5.12 -0.04 -1.26 -4.85 135.00 139.27 1mx5 n PRO 3453Ca 0.01 0.37 0.11 0.00 -0.04 0.00 0.00 63.50 63.95 1mx5 n PRO 3453Cb 0.40 -1.90 0.50 0.00 -0.04 0.00 0.00 33.50 32.46 1mx5 n PRO 3453CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1mx5 n SER 3454N 0.52 0.00 -0.80 3.54 3.41 -1.26 -2.38 113.62 116.65 1mx5 n SER 3454Ca 0.11 0.31 0.07 0.00 -0.26 0.00 0.00 58.87 59.10 1mx5 n SER 3454Cb 0.41 -0.42 0.19 0.00 -0.26 0.00 0.00 64.21 64.12 1mx5 n SER 3454CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1mx5 n PHE 3455N -1.42 0.58 -0.86 7.33 3.01 -1.26 -4.94 117.46 119.90 1mx5 n PHE 3455Ca 0.07 -0.29 -0.32 0.00 1.01 0.00 0.00 57.45 57.92 1mx5 n PHE 3455Cb 0.23 -0.01 0.15 0.00 -0.01 0.00 0.00 39.48 39.84 1mx5 n PHE 3455CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1mx5 n SER 3456N 0.75 0.32 -4.77 4.37 7.64 -1.00 -4.96 113.62 115.96 1mx5 n SER 3456Ca 0.14 0.48 -0.32 0.00 1.01 0.00 0.00 58.87 60.18 1mx5 n SER 3456Cb 0.37 -1.46 0.07 0.00 -1.01 0.00 0.00 64.21 62.18 1mx5 n SER 3456CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1mx5 s SER 3457N -2.35 4.83 0.31 6.43 0.15 -1.26 -4.95 113.70 116.86 1mx5 s SER 3457Ca 0.68 1.89 0.12 0.00 0.70 0.00 0.00 55.95 59.35 1mx5 s SER 3457Cb -0.25 -2.53 0.49 0.00 -1.71 0.00 0.00 66.02 62.01 1mx5 s SER 3457CO 0.56 -1.81 1.67 0.44 1.20 0.00 0.00 173.24 175.30 1mx5 h ASP 3458N -0.56 0.00 -0.16 5.45 3.32 -1.99 -2.93 116.42 119.55 1mx5 h ASP 3458Ca -0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.60 1mx5 h ASP 3458Cb 1.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.79 1mx5 h ASP 3458CO 0.53 0.53 0.00 0.23 -1.72 0.00 0.00 179.24 178.81 1mx5 n MET 3459N -3.81 1.37 -3.58 3.56 2.81 -1.26 -4.81 117.12 111.40 1mx5 n MET 3459Ca -0.01 -0.56 -0.36 0.00 -1.81 0.00 0.00 57.70 54.95 1mx5 n MET 3459Cb 0.56 -1.13 -0.08 0.00 -0.71 0.00 0.00 33.22 31.86 1mx5 n MET 3459CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 1mx5 s LYS 3460N -1.79 4.19 0.22 0.03 2.20 -1.11 -5.05 119.74 118.43 1mx5 s LYS 3460Ca 0.10 -0.04 -0.32 0.00 -0.36 0.00 0.00 55.97 55.36 1mx5 s LYS 3460Cb 0.05 -3.47 -0.13 0.00 -1.51 0.00 0.00 37.83 32.78 1mx5 s LYS 3460CO 0.07 0.16 1.61 -2.30 -0.36 0.00 0.00 175.35 174.53 1mx5 n PRO 3461N 3.89 2.47 0.23 4.03 -0.02 -1.26 -4.87 135.00 139.47 1mx5 n PRO 3461Ca -0.13 0.89 0.15 0.00 -2.02 0.00 0.00 63.50 62.39 1mx5 n PRO 3461Cb 0.52 -2.67 0.78 0.00 -0.02 0.00 0.00 33.50 32.11 1mx5 n PRO 3461CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1mx5 h LYS 3462N 5.72 0.00 0.00 -0.52 1.79 -1.96 -1.55 116.57 120.04 1mx5 h LYS 3462Ca -0.45 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.02 1mx5 h LYS 3462Cb 1.23 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.88 1mx5 h LYS 3462CO 0.87 0.00 -0.20 1.79 -1.08 0.00 0.00 179.45 180.84 1mx5 h THR 3463N 0.00 0.00 -3.46 -0.16 1.35 -2.05 -3.44 112.91 105.15 1mx5 h THR 3463Ca 0.00 -0.54 -0.57 0.00 -0.55 0.00 0.00 66.41 64.75 1mx5 h THR 3463Cb 0.12 1.41 -0.06 0.00 -1.73 0.00 0.00 68.15 67.89 1mx5 h THR 3463CO 0.00 0.00 0.92 -0.69 -0.25 0.00 0.00 175.52 175.50 1mx5 s VAL 3464N -3.14 4.27 -0.09 6.82 1.01 -0.59 -5.01 120.40 123.68 1mx5 s VAL 3464Ca 0.09 1.38 0.03 0.00 0.00 0.00 0.00 61.98 63.48 1mx5 s VAL 3464Cb 0.12 -4.45 0.00 0.00 0.00 0.00 0.00 36.38 32.06 1mx5 s VAL 3464CO 0.64 -0.74 -0.20 -0.63 0.00 0.00 0.00 175.10 174.18 1mx5 s ILE 3465N 4.26 1.73 -0.27 2.22 1.01 -1.26 -4.72 121.20 124.18 1mx5 s ILE 3465Ca 0.49 -0.83 -0.01 0.00 0.00 0.00 0.00 60.65 60.31 1mx5 s ILE 3465Cb -0.11 -1.52 0.00 0.00 0.01 0.00 0.00 42.46 40.85 1mx5 s ILE 3465CO 0.25 0.49 0.23 0.61 0.00 0.00 0.00 174.94 176.51 1mx5 n GLY 3466N 3.62 0.41 3.86 6.18 0.00 -0.78 -3.38 105.19 115.10 1mx5 n GLY 3466Ca -0.20 -0.40 -0.31 0.00 0.00 0.00 0.00 46.02 45.11 1mx5 n GLY 3466CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1mx5 s ASP 3467N -3.20 5.68 0.03 1.61 2.15 -1.25 0.63 116.67 122.32 1mx5 s ASP 3467Ca 0.05 1.33 -0.37 0.00 0.43 0.00 0.00 52.55 53.99 1mx5 s ASP 3467Cb -0.02 -2.24 -0.16 0.00 -0.30 0.00 0.00 42.92 40.20 1mx5 s ASP 3467CO 0.15 -1.21 1.49 1.57 -0.17 0.00 0.00 175.17 177.01 1mx5 n HIS 3468N -2.95 1.81 -0.90 -5.34 -0.00 -1.19 -0.78 115.22 105.87 1mx5 n HIS 3468Ca 0.07 0.50 0.00 0.00 -0.00 0.00 0.00 57.72 58.29 1mx5 n HIS 3468Cb 0.55 -2.42 0.00 0.00 -0.00 0.00 0.00 29.99 28.12 1mx5 n HIS 3468CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1mx5 n GLY 3469N 3.11 0.76 0.19 1.57 0.00 -1.26 -4.84 105.19 104.72 1mx5 n GLY 3469Ca 0.20 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.27 1mx5 n GLY 3469CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1mx5 h ASP 3470N 0.00 0.00 1.44 1.61 3.32 -1.30 -3.07 116.42 118.42 1mx5 h ASP 3470Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1mx5 h ASP 3470Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1mx5 h ASP 3470CO 0.00 0.36 0.00 1.05 -1.72 0.00 0.00 179.24 178.93 1mx5 h GLU 3471N 0.00 0.00 -0.98 3.56 9.09 -1.92 -3.27 114.58 121.07 1mx5 h GLU 3471Ca -0.00 0.00 0.10 0.00 0.05 0.00 0.00 59.36 59.51 1mx5 h GLU 3471Cb 0.80 0.00 -0.07 0.00 -1.65 0.00 0.00 28.75 27.83 1mx5 h GLU 3471CO 0.05 0.00 0.62 -0.07 0.05 0.00 0.00 179.01 179.66 1mx5 h LEU 3472N 0.00 0.92 -1.67 3.06 3.38 -1.94 -1.77 115.31 117.30 1mx5 h LEU 3472Ca 0.00 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 1mx5 h LEU 3472Cb 0.72 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 1mx5 h LEU 3472CO 0.00 0.53 -0.19 -0.26 0.09 0.00 0.00 178.44 178.61 1mx5 h PHE 3473N 1.01 0.00 0.09 1.13 -1.00 -1.77 0.05 116.94 116.45 1mx5 h PHE 3473Ca 0.46 0.00 -0.21 0.00 2.81 0.00 0.00 57.97 61.03 1mx5 h PHE 3473Cb 0.39 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.95 1mx5 h PHE 3473CO -0.00 0.19 -1.04 0.77 -1.61 0.00 0.00 178.31 176.62 1mx5 h SER 3474N 0.00 0.29 -0.80 2.17 0.02 -1.65 0.19 113.55 113.77 1mx5 h SER 3474Ca -0.00 -0.85 0.07 0.00 -0.84 0.00 0.00 61.79 60.16 1mx5 h SER 3474Cb 0.37 -0.09 -0.06 0.00 0.14 0.00 0.00 62.40 62.75 1mx5 h SER 3474CO 0.02 1.45 0.48 0.58 -1.14 0.00 0.00 176.83 178.22 1mx5 h VAL 3475N -0.52 1.00 -0.71 2.27 2.07 -1.11 -1.93 116.25 117.32 1mx5 h VAL 3475Ca -0.23 -0.29 -0.21 0.00 0.82 0.00 0.00 66.70 66.79 1mx5 h VAL 3475Cb 1.56 0.07 -0.13 0.00 -1.52 0.00 0.00 31.29 31.26 1mx5 h VAL 3475CO 0.03 0.16 0.27 0.49 0.02 0.00 0.00 177.57 178.54 1mx5 n PHE 3476N -4.69 2.37 -4.13 1.57 3.01 -0.02 -4.75 117.46 110.82 1mx5 n PHE 3476Ca 0.11 -1.15 -0.33 0.00 1.01 0.00 0.00 57.45 57.09 1mx5 n PHE 3476Cb 0.19 -0.67 -0.02 0.00 -0.01 0.00 0.00 39.48 38.97 1mx5 n PHE 3476CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1mx5 n GLY 3477N -0.12 -0.38 0.38 1.37 0.00 -0.72 -4.57 105.19 101.14 1mx5 n GLY 3477Ca 0.39 0.14 0.17 0.00 0.00 0.00 0.00 46.02 46.73 1mx5 n GLY 3477CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mx5 h ALA 3478N 0.90 1.99 0.00 4.61 0.00 -0.85 0.55 119.26 126.46 1mx5 h ALA 3478Ca -0.60 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1mx5 h ALA 3478Cb 1.38 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1mx5 h ALA 3478CO 0.73 -0.33 0.03 -2.30 0.00 0.00 0.00 179.25 177.38 1mx5 n PRO 3479N -4.62 0.00 -0.03 0.00 -0.02 -1.26 -0.82 135.00 128.24 1mx5 n PRO 3479Ca 0.22 0.44 0.06 0.00 -2.02 0.00 0.00 63.50 62.20 1mx5 n PRO 3479Cb 0.67 -1.53 0.07 0.00 -0.02 0.00 0.00 33.50 32.69 1mx5 n PRO 3479CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1mx5 n PHE 3480N -1.44 0.09 -0.00 6.00 3.01 0.18 -4.66 117.46 120.64 1mx5 n PHE 3480Ca 0.00 -0.09 -0.00 0.00 1.01 0.00 0.00 57.45 58.36 1mx5 n PHE 3480Cb 0.03 -0.00 -0.00 0.00 -0.01 0.00 0.00 39.48 39.49 1mx5 n PHE 3480CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1mx5 n LEU 3481N 0.64 1.58 -4.94 4.37 4.77 -0.15 -4.98 117.00 118.29 1mx5 n LEU 3481Ca 0.08 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.81 1mx5 n LEU 3481Cb 0.32 -0.01 0.07 0.00 -2.33 0.00 0.00 43.42 41.47 1mx5 n LEU 3481CO 0.07 0.27 0.59 -0.54 -1.33 0.00 0.00 177.39 176.45 1mx5 s LYS 3482N -2.01 2.14 0.28 3.23 1.02 -0.00 -4.12 119.74 120.28 1mx5 s LYS 3482Ca -0.00 -0.39 0.08 0.00 0.02 0.00 0.00 55.97 55.67 1mx5 s LYS 3482Cb 0.00 -2.21 -0.03 0.00 -0.52 0.00 0.00 37.83 35.07 1mx5 s LYS 3482CO 0.01 -1.23 0.19 -1.21 -0.92 0.00 0.00 175.35 172.18 1mx5 s GLU 3483N -5.20 2.76 0.00 1.68 2.02 -1.26 -4.67 118.70 114.02 1mx5 s GLU 3483Ca 0.61 -1.19 0.00 0.00 0.02 0.00 0.00 54.97 54.40 1mx5 s GLU 3483Cb -0.10 -2.46 0.00 0.00 0.10 0.00 0.00 34.13 31.67 1mx5 s GLU 3483CO 0.44 0.30 0.00 0.41 0.02 0.00 0.00 175.26 176.43 1mx5 n GLY 3484N -1.19 0.71 3.69 -1.39 0.00 -1.26 -5.02 105.19 100.73 1mx5 n GLY 3484Ca -0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 1mx5 n GLY 3484CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mx5 s ALA 3485N -2.48 3.68 0.72 4.61 0.00 -1.26 -4.97 121.76 122.05 1mx5 s ALA 3485Ca 0.00 1.18 -0.12 0.00 0.00 0.00 0.00 51.96 53.02 1mx5 s ALA 3485Cb 0.00 -3.69 0.03 0.00 0.00 0.00 0.00 23.12 19.46 1mx5 s ALA 3485CO 0.00 -1.08 1.08 -1.54 0.00 0.00 0.00 175.76 174.22 1mx5 s SER 3486N 2.34 4.91 0.48 0.00 1.04 -1.26 -4.77 113.70 116.45 1mx5 s SER 3486Ca 0.73 1.81 0.18 0.00 0.48 0.00 0.00 55.95 59.15 1mx5 s SER 3486Cb -0.39 -2.52 1.20 0.00 0.10 0.00 0.00 66.02 64.41 1mx5 s SER 3486CO 0.32 -1.76 2.01 -0.08 0.98 0.00 0.00 173.24 174.70 1mx5 h GLU 3487N -0.71 0.19 -0.30 4.02 4.57 -1.99 0.76 114.58 121.13 1mx5 h GLU 3487Ca -0.44 -0.01 -0.08 0.00 -1.18 0.00 0.00 59.36 57.64 1mx5 h GLU 3487Cb 1.23 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.77 1mx5 h GLU 3487CO 0.53 0.13 -0.14 1.49 -1.18 0.00 0.00 179.01 179.85 1mx5 h GLU 3488N 0.20 0.62 -0.25 1.92 4.81 -1.99 -0.24 114.58 119.64 1mx5 h GLU 3488Ca 0.23 -0.27 -0.11 0.00 -0.13 0.00 0.00 59.36 59.08 1mx5 h GLU 3488Cb 0.64 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.99 1mx5 h GLU 3488CO -0.04 0.84 -0.32 1.49 -0.73 0.00 0.00 179.01 180.25 1mx5 h GLU 3489N 0.37 0.52 -0.13 1.92 4.81 -1.60 -1.81 114.58 118.66 1mx5 h GLU 3489Ca 0.07 -0.23 -0.02 0.00 -0.13 0.00 0.00 59.36 59.05 1mx5 h GLU 3489Cb 0.65 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.01 1mx5 h GLU 3489CO 0.04 0.78 -0.02 0.82 -0.73 0.00 0.00 179.01 179.91 1mx5 h ILE 3490N 0.44 1.27 0.00 2.32 2.04 -0.75 -2.31 117.51 120.53 1mx5 h ILE 3490Ca 0.05 -0.90 -0.02 0.00 1.00 0.00 0.00 64.86 65.00 1mx5 h ILE 3490Cb 0.78 1.62 -0.00 0.00 -0.74 0.00 0.00 36.82 38.48 1mx5 h ILE 3490CO 0.06 0.26 -0.10 0.03 0.00 0.00 0.00 178.15 178.41 1mx5 h ARG 3491N -0.06 0.00 -0.27 2.37 3.08 -0.92 -0.84 114.38 117.74 1mx5 h ARG 3491Ca 0.03 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.97 1mx5 h ARG 3491Cb 0.41 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.45 1mx5 h ARG 3491CO 0.01 0.10 -0.27 1.25 -1.07 0.00 0.00 179.97 179.98 1mx5 h LEU 3492N 0.00 0.70 -0.56 3.04 5.85 -1.15 -2.23 115.31 120.96 1mx5 h LEU 3492Ca -0.00 -0.48 -0.10 0.00 0.84 0.00 0.00 57.88 58.14 1mx5 h LEU 3492Cb 0.18 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 1mx5 h LEU 3492CO 0.01 1.03 -0.03 -1.28 -0.34 0.00 0.00 178.44 177.83 1mx5 h SER 3493N 0.38 1.00 -0.47 1.25 0.87 -0.84 -1.23 113.55 114.51 1mx5 h SER 3493Ca 0.04 -0.32 -0.00 0.00 -1.23 0.00 0.00 61.79 60.28 1mx5 h SER 3493Cb 0.84 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 62.51 1mx5 h SER 3493CO 0.07 1.08 0.29 0.11 -0.53 0.00 0.00 176.83 177.84 1mx5 h LYS 3494N 0.89 0.64 -0.08 2.24 1.57 -1.14 -2.12 116.57 118.56 1mx5 h LYS 3494Ca 0.15 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.87 1mx5 h LYS 3494Cb 0.59 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.76 1mx5 h LYS 3494CO 0.04 0.46 0.02 1.98 -0.57 0.00 0.00 179.45 181.38 1mx5 h MET 3495N 0.63 0.13 -0.56 3.15 4.05 -1.24 -1.44 114.93 119.66 1mx5 h MET 3495Ca 0.17 -0.03 0.02 0.00 -0.28 0.00 0.00 59.70 59.58 1mx5 h MET 3495Cb -0.01 -0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 30.74 1mx5 h MET 3495CO -0.03 0.32 0.35 0.28 0.23 0.00 0.00 176.91 178.05 1mx5 h VAL 3496N -0.07 1.09 -0.73 -5.77 2.07 -1.15 -0.30 116.25 111.38 1mx5 h VAL 3496Ca 0.03 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 1mx5 h VAL 3496Cb 0.24 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 30.31 1mx5 h VAL 3496CO 0.00 0.13 0.42 0.24 0.02 0.00 0.00 177.57 178.37 1mx5 h MET 3497N 0.70 1.01 0.16 1.57 2.07 -1.34 0.06 114.93 119.16 1mx5 h MET 3497Ca 0.22 -0.11 0.01 0.00 -2.07 0.00 0.00 59.70 57.76 1mx5 h MET 3497Cb -0.01 -0.20 -0.03 0.00 -1.87 0.00 0.00 31.60 29.48 1mx5 h MET 3497CO -0.08 0.73 -0.30 0.87 1.07 0.00 0.00 176.91 179.20 1mx5 h LYS 3498N 1.00 -0.53 -0.22 1.72 1.79 -0.53 0.14 116.57 119.94 1mx5 h LYS 3498Ca 0.26 0.04 0.05 0.00 -2.18 0.00 0.00 60.65 58.81 1mx5 h LYS 3498Cb 0.01 0.12 -0.05 0.00 -1.58 0.00 0.00 32.23 30.73 1mx5 h LYS 3498CO -0.04 -0.35 -0.09 0.74 -1.08 0.00 0.00 179.45 178.62 1mx5 h PHE 3499N -0.55 -0.21 0.20 -1.35 0.05 -0.66 0.15 116.94 114.56 1mx5 h PHE 3499Ca 0.02 0.02 -0.01 0.00 3.82 0.00 0.00 57.97 61.83 1mx5 h PHE 3499Cb 0.55 0.13 -0.00 0.00 2.00 0.00 0.00 35.95 38.63 1mx5 h PHE 3499CO -0.25 -0.15 -0.12 -1.49 -0.18 0.00 0.00 178.31 176.13 1mx5 h TRP 3500N -0.06 -0.30 -0.82 -0.55 -0.00 -0.66 -0.67 115.95 112.89 1mx5 h TRP 3500Ca 0.12 -0.00 -0.04 0.00 -0.00 0.00 0.00 58.89 58.96 1mx5 h TRP 3500Cb 0.23 0.11 -0.04 0.00 -0.00 0.00 0.00 29.16 29.46 1mx5 h TRP 3500CO -0.26 -0.19 0.36 0.00 -0.00 0.00 0.00 178.44 178.35 1mx5 h ALA 3501N 0.49 1.06 -0.38 1.49 0.00 -0.57 0.81 119.26 122.17 1mx5 h ALA 3501Ca -0.02 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.75 1mx5 h ALA 3501Cb 0.25 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 1mx5 h ALA 3501CO 0.03 0.66 0.13 -0.91 0.00 0.00 0.00 179.25 179.15 1mx5 h ASN 3502N 1.18 0.14 -0.71 0.00 4.21 -0.52 -1.39 115.58 118.49 1mx5 h ASN 3502Ca 0.28 0.04 -0.03 0.00 1.21 0.00 0.00 56.30 57.80 1mx5 h ASN 3502Cb 0.17 0.03 -0.03 0.00 -1.12 0.00 0.00 38.32 37.36 1mx5 h ASN 3502CO -0.03 0.11 0.31 0.15 -1.29 0.00 0.00 177.43 176.69 1mx5 h PHE 3503N 0.28 1.05 0.00 1.19 3.57 -0.63 -0.69 116.94 121.71 1mx5 h PHE 3503Ca 0.17 -0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.60 1mx5 h PHE 3503Cb 0.15 -0.32 -0.00 0.00 2.79 0.00 0.00 35.95 38.57 1mx5 h PHE 3503CO -0.15 0.79 -0.03 0.00 -2.23 0.00 0.00 178.31 176.69 1mx5 h ALA 3504N 1.15 1.38 -0.00 2.41 0.00 0.09 0.21 119.26 124.51 1mx5 h ALA 3504Ca 0.24 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1mx5 h ALA 3504Cb 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1mx5 h ALA 3504CO -0.03 0.04 -0.54 2.89 0.00 0.00 0.00 179.25 181.62 1mx5 n ARG 3505N -3.68 2.63 0.00 0.00 1.85 -0.62 -4.74 116.66 112.11 1mx5 n ARG 3505Ca -0.03 -0.13 0.00 0.00 -1.00 0.00 0.00 57.85 56.69 1mx5 n ARG 3505Cb 0.13 -1.12 0.00 0.00 -1.05 0.00 0.00 32.46 30.42 1mx5 n ARG 3505CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 1mx5 n ASN 3506N -1.09 1.71 0.00 2.89 3.02 -0.32 -4.98 115.26 116.48 1mx5 n ASN 3506Ca 0.03 -0.03 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1mx5 n ASN 3506Cb 0.21 0.40 0.00 0.00 -0.61 0.00 0.00 39.78 39.78 1mx5 n ASN 3506CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1mx5 n GLY 3507N 0.91 0.85 2.88 7.41 0.00 0.72 -4.99 105.19 112.97 1mx5 n GLY 3507Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 1mx5 n GLY 3507CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1mx5 s ASN 3508N -2.79 1.79 0.54 1.61 3.84 -1.26 -4.89 114.94 113.78 1mx5 s ASN 3508Ca 0.00 -0.22 0.33 0.00 0.21 0.00 0.00 52.86 53.18 1mx5 s ASN 3508Cb 0.00 -0.67 1.31 0.00 -0.55 0.00 0.00 41.25 41.34 1mx5 s ASN 3508CO 0.00 -0.11 1.96 1.55 -2.79 0.00 0.00 177.10 177.71 1mx5 h PRO 3509N 7.93 0.00 -7.15 0.43 0.13 -1.82 -3.16 132.00 128.37 1mx5 h PRO 3509Ca -0.28 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.33 1mx5 h PRO 3509Cb 1.14 0.00 0.10 0.00 0.13 0.00 0.00 31.00 32.37 1mx5 h PRO 3509CO 0.38 0.00 0.41 -0.80 -0.23 0.00 0.00 178.00 177.76 1mx5 s ASN 3510N -5.68 5.15 0.04 1.44 0.01 -1.26 -4.45 114.94 110.19 1mx5 s ASN 3510Ca 0.01 2.18 -0.14 0.00 -0.71 0.00 0.00 52.86 54.20 1mx5 s ASN 3510Cb 0.09 -2.57 0.05 0.00 0.41 0.00 0.00 41.25 39.22 1mx5 s ASN 3510CO 0.55 -1.61 0.64 0.61 -1.51 0.00 0.00 177.10 175.77 1mx5 n GLY 3511N -0.00 0.63 3.76 0.66 0.00 -1.26 -4.93 105.19 104.06 1mx5 n GLY 3511Ca 0.12 -0.99 -0.37 0.00 0.00 0.00 0.00 46.02 44.78 1mx5 n GLY 3511CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1mx5 s GLU 3512N -2.02 3.49 -1.49 1.61 2.12 -1.26 -3.20 118.70 117.95 1mx5 s GLU 3512Ca 0.15 1.88 0.00 0.00 0.36 0.00 0.00 54.97 57.36 1mx5 s GLU 3512Cb -0.01 -2.29 0.00 0.00 0.26 0.00 0.00 34.13 32.09 1mx5 s GLU 3512CO 0.01 -0.80 0.00 0.41 -0.54 0.00 0.00 175.26 174.34 1mx5 n GLY 3513N 0.50 0.63 3.05 -1.50 0.00 -1.26 -5.01 105.19 101.60 1mx5 n GLY 3513Ca 0.09 -0.25 -0.18 0.00 0.00 0.00 0.00 46.02 45.68 1mx5 n GLY 3513CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1mx5 s LEU 3514N -4.04 2.08 0.67 0.99 1.43 -1.19 -5.09 118.68 113.53 1mx5 s LEU 3514Ca 0.00 -0.28 -0.17 0.00 -1.03 0.00 0.00 54.13 52.66 1mx5 s LEU 3514Cb 0.00 -0.45 0.00 0.00 0.03 0.00 0.00 46.19 45.78 1mx5 s LEU 3514CO 0.00 0.05 1.22 -2.16 0.23 0.00 0.00 176.35 175.69 1mx5 s PRO 3515N -0.59 2.52 0.13 1.29 0.04 -1.26 -4.80 135.00 132.32 1mx5 s PRO 3515Ca 0.01 1.81 -0.31 0.00 0.04 0.00 0.00 61.00 62.55 1mx5 s PRO 3515Cb -0.05 -1.87 -0.08 0.00 0.04 0.00 0.00 34.50 32.54 1mx5 s PRO 3515CO 0.00 -1.56 1.32 -1.58 0.04 0.00 0.00 177.00 175.22 1mx5 s HIS 3516N -1.78 3.30 -0.36 0.56 2.46 -1.26 -4.90 115.29 113.30 1mx5 s HIS 3516Ca 0.76 1.12 -0.06 0.00 0.47 0.00 0.00 55.06 57.36 1mx5 s HIS 3516Cb -0.30 -3.59 0.06 0.00 -0.13 0.00 0.00 32.58 28.62 1mx5 s HIS 3516CO 0.40 -1.95 0.14 -0.46 -2.47 0.00 0.00 174.74 170.39 1mx5 s TRP 3517N 0.76 3.33 0.51 3.88 -0.11 -1.26 -4.51 118.94 121.53 1mx5 s TRP 3517Ca 0.61 -1.69 -0.20 0.00 1.22 0.00 0.00 56.10 56.03 1mx5 s TRP 3517Cb -0.35 -2.56 -0.07 0.00 -1.50 0.00 0.00 33.47 28.99 1mx5 s TRP 3517CO 0.32 -0.81 1.09 -1.25 -4.62 0.00 0.00 176.95 171.68 1mx5 s PRO 3518N 1.34 3.60 0.64 5.86 0.04 -1.26 -4.83 135.00 140.38 1mx5 s PRO 3518Ca 0.00 1.51 -0.16 0.00 0.04 0.00 0.00 61.00 62.40 1mx5 s PRO 3518Cb -0.21 -2.09 -0.01 0.00 0.04 0.00 0.00 34.50 32.23 1mx5 s PRO 3518CO 0.01 -0.63 1.12 -2.00 0.04 0.00 0.00 177.00 175.54 1mx5 s GLU 3519N -3.20 2.88 -1.29 4.56 2.12 -1.26 -4.61 118.70 117.90 1mx5 s GLU 3519Ca 0.69 1.48 -0.14 0.00 0.36 0.00 0.00 54.97 57.37 1mx5 s GLU 3519Cb -0.21 -1.95 0.12 0.00 0.26 0.00 0.00 34.13 32.35 1mx5 s GLU 3519CO 0.24 -1.20 1.76 0.98 -0.54 0.00 0.00 175.26 176.50 1mx5 n TYR 3520N -2.17 4.14 -0.20 5.30 9.36 0.12 -4.10 117.16 129.62 1mx5 n TYR 3520Ca 0.11 -3.03 0.00 0.00 3.32 0.00 0.00 57.90 58.30 1mx5 n TYR 3520Cb 0.52 -2.30 0.00 0.00 -0.63 0.00 0.00 39.34 36.93 1mx5 n TYR 3520CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 1mx5 n ASN 3521N 5.91 0.00 0.17 2.98 0.23 -1.26 -4.70 115.26 118.59 1mx5 n ASN 3521Ca 0.43 0.00 0.03 0.00 -0.53 0.00 0.00 54.58 54.51 1mx5 n ASN 3521Cb 0.41 0.00 0.29 0.00 -2.08 0.00 0.00 39.78 38.40 1mx5 n ASN 3521CO 0.00 0.00 0.00 1.56 -0.93 0.00 0.00 177.26 177.89 1mx5 h GLN 3522N 0.00 0.00 0.00 -3.83 1.08 -1.99 -2.22 115.11 108.15 1mx5 h GLN 3522Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1mx5 h GLN 3522Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 1mx5 h GLN 3522CO 0.00 0.45 0.00 1.63 -0.95 0.00 0.00 178.83 179.96 1mx5 n LYS 3523N -3.70 0.15 -3.72 1.46 5.02 -1.26 -4.90 118.16 111.22 1mx5 n LYS 3523Ca -0.01 0.12 -0.28 0.00 -2.02 0.00 0.00 58.31 56.12 1mx5 n LYS 3523Cb 0.53 -1.50 0.03 0.00 -0.02 0.00 0.00 35.03 34.07 1mx5 n LYS 3523CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1mx5 n GLU 3524N -1.39 -2.37 -3.15 1.97 1.02 -0.83 -3.96 120.64 111.92 1mx5 n GLU 3524Ca 0.08 0.50 -0.39 0.00 -0.02 0.00 0.00 57.16 57.32 1mx5 n GLU 3524Cb 0.21 -4.49 -0.06 0.00 -0.02 0.00 0.00 31.44 27.08 1mx5 n GLU 3524CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1mx5 s GLY 3525N -3.82 2.67 0.15 0.62 0.00 -1.26 -1.19 107.32 104.49 1mx5 s GLY 3525Ca 0.29 0.10 0.01 0.00 0.00 0.00 0.00 44.72 45.12 1mx5 s GLY 3525CO 0.85 0.80 0.01 -2.52 0.00 0.00 0.00 173.10 172.24 1mx5 s TYR 3526N -0.32 1.05 -0.02 1.90 -0.85 -1.01 -3.80 117.35 114.31 1mx5 s TYR 3526Ca 0.33 -1.08 -0.07 0.00 -0.52 0.00 0.00 57.07 55.73 1mx5 s TYR 3526Cb -0.19 -0.60 -0.05 0.00 0.38 0.00 0.00 41.96 41.50 1mx5 s TYR 3526CO 0.19 -0.31 0.24 -1.17 -1.52 0.00 0.00 175.55 172.98 1mx5 s LEU 3527N -3.12 4.38 -0.43 -3.49 2.96 -0.76 -1.14 118.68 117.08 1mx5 s LEU 3527Ca 0.22 0.54 -0.07 0.00 -0.22 0.00 0.00 54.13 54.60 1mx5 s LEU 3527Cb 0.07 -2.54 0.10 0.00 0.50 0.00 0.00 46.19 44.32 1mx5 s LEU 3527CO 0.02 0.29 0.26 -1.10 -1.32 0.00 0.00 176.35 174.50 1mx5 s GLN 3528N -1.59 2.39 -0.10 1.98 -0.21 -0.36 -1.32 119.66 120.45 1mx5 s GLN 3528Ca 0.25 -1.64 -0.19 0.00 0.02 0.00 0.00 55.36 53.80 1mx5 s GLN 3528Cb -0.13 -3.74 -0.04 0.00 1.00 0.00 0.00 33.01 30.10 1mx5 s GLN 3528CO 0.14 -1.04 0.50 0.42 -2.12 0.00 0.00 175.29 173.19 1mx5 s ILE 3529N 1.32 5.14 -2.20 1.08 1.01 -0.63 -2.46 121.20 124.46 1mx5 s ILE 3529Ca 0.05 1.02 0.00 0.00 0.00 0.00 0.00 60.65 61.71 1mx5 s ILE 3529Cb -0.24 -3.84 0.00 0.00 0.01 0.00 0.00 42.46 38.39 1mx5 s ILE 3529CO -0.01 0.34 0.00 0.61 0.00 0.00 0.00 174.94 175.88 1mx5 n GLY 3530N 3.10 -0.79 0.30 6.18 0.00 -1.26 -0.58 105.19 112.15 1mx5 n GLY 3530Ca -0.07 -0.88 0.11 0.00 0.00 0.00 0.00 46.02 45.18 1mx5 n GLY 3530CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mx5 h ALA 3531N 0.00 1.31 -3.00 4.61 0.00 -1.94 -3.30 119.26 116.93 1mx5 h ALA 3531Ca 0.00 0.16 -0.66 0.00 0.00 0.00 0.00 54.91 54.41 1mx5 h ALA 3531Cb 0.00 0.17 -0.27 0.00 0.00 0.00 0.00 17.79 17.69 1mx5 h ALA 3531CO 0.00 -0.33 -0.70 -0.80 0.00 0.00 0.00 179.25 177.42 1mx5 s ASN 3532N -5.20 4.53 -0.25 0.00 0.02 -1.26 -5.08 114.94 107.70 1mx5 s ASN 3532Ca -0.12 -0.39 -0.03 0.00 -1.02 0.00 0.00 52.86 51.29 1mx5 s ASN 3532Cb 0.24 -1.78 0.01 0.00 0.02 0.00 0.00 41.25 39.74 1mx5 s ASN 3532CO 0.77 -0.04 -0.03 -0.89 0.02 0.00 0.00 177.10 176.93 1mx5 s THR 3533N 1.50 3.19 0.07 1.60 2.01 -1.25 -4.62 115.64 118.15 1mx5 s THR 3533Ca 0.05 -0.80 -0.11 0.00 0.31 0.00 0.00 61.69 61.14 1mx5 s THR 3533Cb -0.15 -2.57 0.01 0.00 0.01 0.00 0.00 72.50 69.81 1mx5 s THR 3533CO -0.02 0.26 0.25 -1.10 -0.69 0.00 0.00 174.62 173.32 1mx5 s GLN 3534N 1.40 0.84 0.53 4.92 1.11 -1.03 -4.96 119.66 122.47 1mx5 s GLN 3534Ca 0.02 -0.73 -0.18 0.00 0.01 0.00 0.00 55.36 54.49 1mx5 s GLN 3534Cb -0.16 0.35 -0.07 0.00 -1.01 0.00 0.00 33.01 32.13 1mx5 s GLN 3534CO -0.03 -0.27 1.02 0.00 0.01 0.00 0.00 175.29 176.02 1mx5 s ALA 3535N -3.23 2.88 0.00 6.09 0.00 -1.26 -1.22 121.76 125.02 1mx5 s ALA 3535Ca -0.00 0.39 0.00 0.00 0.00 0.00 0.00 51.96 52.35 1mx5 s ALA 3535Cb 0.02 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 19.94 1mx5 s ALA 3535CO -0.08 -0.45 0.00 0.00 0.00 0.00 0.00 175.76 175.23 1mx5 n ALA 3536N -1.52 0.00 -2.92 0.00 0.00 -0.29 -4.89 120.51 110.89 1mx5 n ALA 3536Ca 0.08 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.43 1mx5 n ALA 3536Cb 0.53 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.92 1mx5 n ALA 3536CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1mx5 s GLN 3537N -1.01 1.33 -0.61 0.00 -0.21 -1.26 -2.40 119.66 115.49 1mx5 s GLN 3537Ca 0.00 -1.19 -0.20 0.00 0.02 0.00 0.00 55.36 53.99 1mx5 s GLN 3537Cb 0.00 0.42 0.03 0.00 1.00 0.00 0.00 33.01 34.46 1mx5 s GLN 3537CO 0.00 -0.52 0.64 1.63 -2.12 0.00 0.00 175.29 174.92 1mx5 n LYS 3538N -0.30 -1.79 -2.53 2.91 5.02 -0.34 -4.87 118.16 116.27 1mx5 n LYS 3538Ca -0.05 1.24 -0.43 0.00 -2.02 0.00 0.00 58.31 57.05 1mx5 n LYS 3538Cb 0.63 -2.71 -0.02 0.00 -0.02 0.00 0.00 35.03 32.90 1mx5 n LYS 3538CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1mx5 s LEU 3539N -3.53 4.19 -0.56 -0.35 2.96 -1.26 -3.37 118.68 116.77 1mx5 s LEU 3539Ca 0.20 1.62 0.00 0.00 -0.22 0.00 0.00 54.13 55.73 1mx5 s LEU 3539Cb -0.02 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 43.12 1mx5 s LEU 3539CO 0.87 -0.65 0.00 0.29 -1.32 0.00 0.00 176.35 175.53 1mx5 n LYS 3540N 5.98 -1.81 -0.29 1.98 4.76 -1.26 -4.83 118.16 122.69 1mx5 n LYS 3540Ca 0.12 0.59 0.07 0.00 -2.87 0.00 0.00 58.31 56.23 1mx5 n LYS 3540Cb 0.46 -4.79 0.18 0.00 -1.84 0.00 0.00 35.03 29.05 1mx5 n LYS 3540CO 0.00 0.00 0.00 0.22 -1.37 0.00 0.00 177.40 176.25 1mx5 h ASP 3541N 0.00 -0.46 -0.27 4.39 1.82 -1.93 0.15 116.42 120.13 1mx5 h ASP 3541Ca -0.11 0.23 -0.04 0.00 -0.39 0.00 0.00 57.03 56.72 1mx5 h ASP 3541Cb 0.91 0.41 -0.01 0.00 0.68 0.00 0.00 39.33 41.32 1mx5 h ASP 3541CO 0.16 -0.24 0.01 0.11 -1.61 0.00 0.00 179.24 177.66 1mx5 h LYS 3542N 0.07 0.46 -0.55 0.28 1.57 -1.88 -2.77 116.57 113.75 1mx5 h LYS 3542Ca 0.46 -0.15 0.05 0.00 -1.87 0.00 0.00 60.65 59.15 1mx5 h LYS 3542Cb 0.84 -0.04 -0.05 0.00 0.08 0.00 0.00 32.23 33.06 1mx5 h LYS 3542CO -0.77 0.62 0.28 0.93 -0.57 0.00 0.00 179.45 179.95 1mx5 h GLU 3543N 0.25 0.52 0.00 3.15 3.07 -1.37 -0.70 114.58 119.50 1mx5 h GLU 3543Ca 0.08 -0.03 -0.02 0.00 -0.50 0.00 0.00 59.36 58.89 1mx5 h GLU 3543Cb 0.41 -0.12 -0.00 0.00 -0.84 0.00 0.00 28.75 28.20 1mx5 h GLU 3543CO 0.01 0.35 -0.08 0.28 -1.40 0.00 0.00 179.01 178.17 1mx5 h VAL 3544N 0.54 0.84 0.09 3.13 2.07 -0.74 -1.04 116.25 121.14 1mx5 h VAL 3544Ca 0.24 -0.29 -0.00 0.00 0.82 0.00 0.00 66.70 67.46 1mx5 h VAL 3544Cb 0.15 1.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 1mx5 h VAL 3544CO -0.17 0.08 -0.04 0.00 0.02 0.00 0.00 177.57 177.46 1mx5 h ALA 3545N 1.92 -0.12 -0.34 1.67 0.00 -0.91 -2.06 119.26 119.41 1mx5 h ALA 3545Ca -0.00 -0.27 0.07 0.00 0.00 0.00 0.00 54.91 54.71 1mx5 h ALA 3545Cb 0.16 0.05 -0.08 0.00 0.00 0.00 0.00 17.79 17.92 1mx5 h ALA 3545CO 0.01 -0.21 -0.17 0.35 0.00 0.00 0.00 179.25 179.23 1mx5 h PHE 3546N -0.85 -0.43 0.09 0.00 3.57 -0.77 -2.24 116.94 116.31 1mx5 h PHE 3546Ca -0.01 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.52 1mx5 h PHE 3546Cb 0.58 0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.57 1mx5 h PHE 3546CO 0.12 -0.25 -0.04 -1.49 -2.23 0.00 0.00 178.31 174.42 1mx5 h TRP 3547N -0.12 -0.11 -1.03 0.41 4.06 -1.31 0.15 115.95 118.01 1mx5 h TRP 3547Ca 0.17 -0.00 0.25 0.00 2.06 0.00 0.00 58.89 61.37 1mx5 h TRP 3547Cb 0.39 0.04 -0.10 0.00 -1.00 0.00 0.00 29.16 28.48 1mx5 h TRP 3547CO -0.39 0.31 0.64 1.15 -3.56 0.00 0.00 178.44 176.60 1mx5 h THR 3548N -0.58 0.54 0.32 1.49 2.02 -1.32 -0.58 112.91 114.81 1mx5 h THR 3548Ca -0.01 -0.16 -0.02 0.00 0.77 0.00 0.00 66.41 66.99 1mx5 h THR 3548Cb 0.47 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.91 1mx5 h THR 3548CO 0.02 0.09 -0.15 -1.13 0.37 0.00 0.00 175.52 174.72 1mx5 h ASN 3549N 0.48 -0.36 -0.89 4.18 -1.24 -1.29 -2.72 115.58 113.74 1mx5 h ASN 3549Ca 0.61 0.01 0.24 0.00 0.71 0.00 0.00 56.30 57.87 1mx5 h ASN 3549Cb 1.37 0.09 -0.16 0.00 0.73 0.00 0.00 38.32 40.36 1mx5 h ASN 3549CO -0.36 -0.00 0.10 0.25 -1.29 0.00 0.00 177.43 176.13 1mx5 h LEU 3550N -0.93 -0.26 -1.04 0.34 5.85 -0.03 0.62 115.31 119.85 1mx5 h LEU 3550Ca -0.04 0.23 -0.09 0.00 0.84 0.00 0.00 57.88 58.82 1mx5 h LEU 3550Cb 0.33 0.37 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 1mx5 h LEU 3550CO 0.07 -0.24 -0.41 -0.26 -0.34 0.00 0.00 178.44 177.26 1mx5 h PHE 3551N 0.10 0.00 -0.99 1.25 0.05 -1.24 -3.08 116.94 113.03 1mx5 h PHE 3551Ca 0.54 0.00 0.08 0.00 3.82 0.00 0.00 57.97 62.41 1mx5 h PHE 3551Cb 1.08 0.00 -0.07 0.00 2.00 0.00 0.00 35.95 38.96 1mx5 h PHE 3551CO -0.39 0.41 0.63 0.00 -0.18 0.00 0.00 178.31 178.78 1mx5 h ALA 3552N 1.59 1.40 0.00 2.45 0.00 0.59 -3.52 119.26 121.78 1mx5 h ALA 3552Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1mx5 h ALA 3552Cb 0.85 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1mx5 h ALA 3552CO 0.05 0.37 0.00 1.63 0.00 0.00 0.00 179.25 181.30