#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ddx s ASN 3034N 0.00 5.64 0.00 0.00 3.84 -1.26 -4.78 114.94 118.38 1ddx s ASN 3034Ca 0.00 1.75 0.00 0.00 0.21 0.00 0.00 52.86 54.82 1ddx s ASN 3034Cb 0.00 -2.52 0.00 0.00 -0.55 0.00 0.00 41.25 38.18 1ddx s ASN 3034CO 0.00 -1.84 0.80 -0.81 -2.79 0.00 0.00 177.10 172.46 1ddx n PRO 3035N 8.59 0.00 0.03 0.43 -0.04 -1.26 0.31 135.00 143.05 1ddx n PRO 3035Ca 0.27 0.32 0.11 0.00 -0.04 0.00 0.00 63.50 64.16 1ddx n PRO 3035Cb 0.45 -1.56 -0.11 0.00 -0.04 0.00 0.00 33.50 32.24 1ddx n PRO 3035CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ddx n SER 3038N -4.68 0.00 -4.33 0.00 3.41 -1.26 -4.45 113.62 102.31 1ddx n SER 3038Ca 0.12 -0.59 -0.38 0.00 -0.26 0.00 0.00 58.87 57.76 1ddx n SER 3038Cb 0.39 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.30 1ddx n SER 3038CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1ddx n ASN 3039N -0.52 -2.61 -0.16 4.04 5.03 0.27 -4.86 115.26 116.45 1ddx n ASN 3039Ca 0.00 -1.10 -0.03 0.00 0.87 0.00 0.00 54.58 54.32 1ddx n ASN 3039Cb 0.00 -2.36 0.06 0.00 -1.02 0.00 0.00 39.78 36.46 1ddx n ASN 3039CO 0.00 0.00 0.00 1.55 -1.83 0.00 0.00 177.26 176.98 1ddx h PRO 3040N -1.32 0.37 -6.44 3.52 0.13 -1.89 -3.43 132.00 122.95 1ddx h PRO 3040Ca -0.60 -0.02 -0.53 0.00 -0.87 0.00 0.00 66.00 63.98 1ddx h PRO 3040Cb 1.39 -0.08 0.02 0.00 0.13 0.00 0.00 31.00 32.45 1ddx h PRO 3040CO 0.81 0.25 1.04 0.00 -0.23 0.00 0.00 178.00 179.87 1ddx s GLN 3042N 2.87 2.66 -1.18 0.00 -1.52 0.27 -4.53 119.66 118.24 1ddx s GLN 3042Ca 0.76 -1.41 -0.20 0.00 -1.95 0.00 0.00 55.36 52.56 1ddx s GLN 3042Cb -0.41 -2.60 -0.00 0.00 -0.22 0.00 0.00 33.01 29.78 1ddx s GLN 3042CO 0.33 -0.32 0.74 0.09 -0.25 0.00 0.00 175.29 175.89 1ddx n ASN 3043N -1.79 -4.62 -0.22 5.90 3.02 -1.26 -0.92 115.26 115.37 1ddx n ASN 3043Ca 0.07 -1.05 -0.03 0.00 -0.03 0.00 0.00 54.58 53.54 1ddx n ASN 3043Cb 0.60 -3.16 -0.01 0.00 -0.61 0.00 0.00 39.78 36.60 1ddx n ASN 3043CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1ddx n ARG 3044N -4.31 -1.84 -0.87 3.52 5.12 -1.26 -4.79 116.66 112.22 1ddx n ARG 3044Ca -0.12 0.59 -0.30 0.00 -1.93 0.00 0.00 57.85 56.08 1ddx n ARG 3044Cb 0.60 -5.01 0.16 0.00 -1.16 0.00 0.00 32.46 27.05 1ddx n ARG 3044CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1ddx s GLY 3045N -2.11 1.65 -0.14 -0.13 0.00 -0.10 -4.94 107.32 101.55 1ddx s GLY 3045Ca 0.00 0.31 0.00 0.00 0.00 0.00 0.00 44.72 45.03 1ddx s GLY 3045CO 0.00 0.77 -0.15 1.85 0.00 0.00 0.00 173.10 175.57 1ddx s GLU 3046N -4.72 3.30 0.02 2.90 2.12 -1.16 -4.74 118.70 116.41 1ddx s GLU 3046Ca 0.65 -0.72 -0.19 0.00 0.36 0.00 0.00 54.97 55.07 1ddx s GLU 3046Cb -0.21 -2.61 -0.06 0.00 0.26 0.00 0.00 34.13 31.52 1ddx s GLU 3046CO 0.58 0.14 0.54 0.00 -0.54 0.00 0.00 175.26 175.99 1ddx s MET 3048N -0.61 0.44 -0.74 0.00 0.00 0.22 -4.92 119.30 113.68 1ddx s MET 3048Ca 0.28 0.04 -0.26 0.00 0.00 0.00 0.00 55.69 55.76 1ddx s MET 3048Cb -0.18 -0.60 -0.06 0.00 0.00 0.00 0.00 34.83 33.99 1ddx s MET 3048CO 0.17 -0.13 2.06 -1.54 0.00 0.00 0.00 175.02 175.57 1ddx s SER 3049N 1.07 4.88 -0.30 1.11 1.04 -1.26 0.62 113.70 120.86 1ddx s SER 3049Ca -0.09 -0.02 -0.04 0.00 0.48 0.00 0.00 55.95 56.28 1ddx s SER 3049Cb -0.14 -2.54 -0.04 0.00 0.10 0.00 0.00 66.02 63.41 1ddx s SER 3049CO -0.01 -2.84 3.00 0.35 0.98 0.00 0.00 173.24 174.71 1ddx n THR 3050N 7.84 3.17 0.00 2.02 -2.24 -0.93 -4.86 114.28 119.28 1ddx n THR 3050Ca 0.35 -2.42 0.00 0.00 -2.27 0.00 0.00 64.05 59.71 1ddx n THR 3050Cb 0.49 -1.71 0.00 0.00 -2.10 0.00 0.00 70.33 67.01 1ddx n THR 3050CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ddx n GLY 3051N 1.37 3.46 0.28 3.38 0.00 -1.25 -4.67 105.19 107.77 1ddx n GLY 3051Ca 0.45 -1.87 0.02 0.00 0.00 0.00 0.00 46.02 44.62 1ddx n GLY 3051CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1ddx h PHE 3052N 0.00 -0.40 -0.99 1.61 -1.00 -1.97 -2.99 116.94 111.21 1ddx h PHE 3052Ca 0.00 0.07 -0.50 0.00 2.81 0.00 0.00 57.97 60.35 1ddx h PHE 3052Cb 0.00 0.29 -0.42 0.00 3.61 0.00 0.00 35.95 39.43 1ddx h PHE 3052CO 0.00 -0.32 -0.87 -0.25 -1.61 0.00 0.00 178.31 175.25 1ddx n ASP 3053N -5.50 4.00 -3.71 2.17 8.00 -1.26 -4.38 116.55 115.89 1ddx n ASP 3053Ca 0.10 -3.39 -0.11 0.00 0.71 0.00 0.00 54.79 52.11 1ddx n ASP 3053Cb 0.39 -0.42 -0.06 0.00 -0.02 0.00 0.00 41.12 41.01 1ddx n ASP 3053CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ddx s GLN 3054N -3.55 0.95 0.15 -1.24 -2.07 -1.13 -4.97 119.66 107.80 1ddx s GLN 3054Ca 0.44 -0.68 0.02 0.00 -1.82 0.00 0.00 55.36 53.32 1ddx s GLN 3054Cb 0.40 0.41 -0.01 0.00 -1.09 0.00 0.00 33.01 32.73 1ddx s GLN 3054CO -0.05 -0.34 0.16 2.48 -1.32 0.00 0.00 175.29 176.22 1ddx n TYR 3055N 0.05 -0.57 -3.63 9.60 0.18 -1.26 -2.20 117.16 119.33 1ddx n TYR 3055Ca -0.17 -1.18 -0.15 0.00 1.88 0.00 0.00 57.90 58.28 1ddx n TYR 3055Cb 0.62 0.18 -0.08 0.00 -0.38 0.00 0.00 39.34 39.68 1ddx n TYR 3055CO 0.00 0.00 0.00 0.21 -2.08 0.00 0.00 176.86 174.99 1ddx s LYS 3056N -2.51 0.81 -0.18 -3.48 2.47 0.20 -4.51 119.74 112.54 1ddx s LYS 3056Ca 0.16 0.54 -0.05 0.00 -1.56 0.00 0.00 55.97 55.06 1ddx s LYS 3056Cb 0.00 0.39 -0.03 0.00 -1.46 0.00 0.00 37.83 36.73 1ddx s LYS 3056CO 0.11 -0.17 0.00 0.00 0.16 0.00 0.00 175.35 175.45 1ddx n ASP 3058N 3.91 5.48 -3.52 0.00 2.03 0.15 -4.84 116.55 119.76 1ddx n ASP 3058Ca -0.17 -3.09 -0.40 0.00 0.52 0.00 0.00 54.79 51.65 1ddx n ASP 3058Cb 0.52 -1.45 -0.02 0.00 -0.72 0.00 0.00 41.12 39.46 1ddx n ASP 3058CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ddx s THR 3060N 2.76 5.27 -0.62 0.00 2.01 -1.26 -4.12 115.64 119.69 1ddx s THR 3060Ca 0.58 0.35 0.00 0.00 0.31 0.00 0.00 61.69 62.93 1ddx s THR 3060Cb 0.16 -3.59 0.00 0.00 0.01 0.00 0.00 72.50 69.07 1ddx s THR 3060CO -0.07 0.25 0.00 0.54 -0.69 0.00 0.00 174.62 174.65 1ddx n ARG 3061N 4.82 -1.80 -0.03 4.92 1.74 -1.26 -4.81 116.66 120.23 1ddx n ARG 3061Ca -0.12 0.70 -0.15 0.00 -0.77 0.00 0.00 57.85 57.51 1ddx n ARG 3061Cb 0.52 -5.14 -0.11 0.00 -1.02 0.00 0.00 32.46 26.71 1ddx n ARG 3061CO 0.00 0.00 0.00 1.79 -1.52 0.00 0.00 177.63 177.90 1ddx h THR 3062N 0.00 1.55 0.00 0.55 1.35 -1.87 -3.48 112.91 111.01 1ddx h THR 3062Ca -0.12 -1.87 0.00 0.00 -0.55 0.00 0.00 66.41 63.87 1ddx h THR 3062Cb 1.08 2.74 0.00 0.00 -1.73 0.00 0.00 68.15 70.24 1ddx h THR 3062CO 0.17 0.51 0.00 0.61 -0.25 0.00 0.00 175.52 176.56 1ddx n GLY 3063N 0.98 1.13 2.95 5.82 0.00 -1.26 -5.03 105.19 109.77 1ddx n GLY 3063Ca -0.09 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.80 1ddx n GLY 3063CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ddx s PHE 3064N -2.00 -0.07 0.00 1.61 0.40 -1.26 -1.16 117.98 115.50 1ddx s PHE 3064Ca 0.00 0.17 0.00 0.00 -0.60 0.00 0.00 56.93 56.50 1ddx s PHE 3064Cb 0.00 0.02 0.00 0.00 0.51 0.00 0.00 43.02 43.55 1ddx s PHE 3064CO 0.00 -0.05 0.00 2.48 0.70 0.00 0.00 175.22 178.35 1ddx n TYR 3065N 2.98 0.00 -0.55 0.36 -0.00 0.40 -4.63 117.16 115.72 1ddx n TYR 3065Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.77 1ddx n TYR 3065Cb 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.93 1ddx n TYR 3065CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1ddx n GLY 3066N 5.00 -3.35 0.54 -7.48 0.00 -1.26 -1.13 105.19 97.50 1ddx n GLY 3066Ca 0.00 -1.10 0.35 0.00 0.00 0.00 0.00 46.02 45.27 1ddx n GLY 3066CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1ddx h GLU 3067N 0.24 0.00 -0.30 1.61 4.81 -1.98 0.53 114.58 119.49 1ddx h GLU 3067Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1ddx h GLU 3067Cb 0.21 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.59 1ddx h GLU 3067CO 0.00 0.00 0.00 0.09 -0.73 0.00 0.00 179.01 178.37 1ddx n ASN 3068N -3.93 2.79 -2.32 1.04 3.02 -1.26 -4.10 115.26 110.51 1ddx n ASN 3068Ca 0.25 -1.92 -0.14 0.00 -0.03 0.00 0.00 54.58 52.74 1ddx n ASN 3068Cb 1.32 -0.20 0.05 0.00 -0.61 0.00 0.00 39.78 40.33 1ddx n ASN 3068CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ddx n THR 3070N -4.02 1.47 -1.70 0.00 -2.24 -0.29 -4.42 114.28 103.09 1ddx n THR 3070Ca -0.00 0.15 -0.55 0.00 -2.27 0.00 0.00 64.05 61.38 1ddx n THR 3070Cb 0.54 -2.26 -0.06 0.00 -2.10 0.00 0.00 70.33 66.44 1ddx n THR 3070CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1ddx n THR 3071N -4.36 0.39 -2.53 4.28 -1.04 -1.21 -4.68 114.28 105.14 1ddx n THR 3071Ca -0.14 -0.07 -0.23 0.00 -2.04 0.00 0.00 64.05 61.57 1ddx n THR 3071Cb 0.48 -1.42 0.04 0.00 -1.82 0.00 0.00 70.33 67.61 1ddx n THR 3071CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1ddx s PRO 3072N 3.70 2.55 0.46 -2.82 0.04 -1.26 0.15 135.00 137.83 1ddx s PRO 3072Ca 0.97 -0.50 0.07 0.00 0.04 0.00 0.00 61.00 61.58 1ddx s PRO 3072Cb -0.96 -2.38 0.02 0.00 0.04 0.00 0.00 34.50 31.23 1ddx s PRO 3072CO 0.62 -0.81 0.64 -1.21 0.04 0.00 0.00 177.00 176.27 1ddx s GLU 3073N -4.90 2.70 0.00 4.56 2.02 -0.31 -4.80 118.70 117.96 1ddx s GLU 3073Ca 0.57 -1.20 0.00 0.00 0.02 0.00 0.00 54.97 54.36 1ddx s GLU 3073Cb -0.10 -2.69 0.00 0.00 0.10 0.00 0.00 34.13 31.43 1ddx s GLU 3073CO 0.41 -0.43 0.96 0.34 0.02 0.00 0.00 175.26 176.56 1ddx n PHE 3074N -2.00 0.00 -0.49 1.61 7.35 -1.26 -2.00 117.46 120.68 1ddx n PHE 3074Ca 0.09 0.00 0.42 0.00 -0.76 0.00 0.00 57.45 57.20 1ddx n PHE 3074Cb 0.59 -0.46 0.77 0.00 0.35 0.00 0.00 39.48 40.73 1ddx n PHE 3074CO 0.00 0.00 0.00 1.25 -0.76 0.00 0.00 176.76 177.25 1ddx h LEU 3075N 0.00 0.03 0.42 -2.13 5.85 -1.97 1.21 115.31 118.72 1ddx h LEU 3075Ca 0.00 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 1ddx h LEU 3075Cb 0.00 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 1ddx h LEU 3075CO 0.00 -0.01 -0.32 0.74 -0.34 0.00 0.00 178.44 178.51 1ddx h THR 3076N 0.02 0.34 0.06 1.05 2.02 -1.74 0.23 112.91 114.89 1ddx h THR 3076Ca 0.73 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.92 1ddx h THR 3076Cb 2.88 0.34 -0.03 0.00 -1.74 0.00 0.00 68.15 69.60 1ddx h THR 3076CO -0.04 0.00 -0.30 0.03 0.37 0.00 0.00 175.52 175.58 1ddx h ARG 3077N -0.73 -0.41 -0.81 6.66 3.08 0.21 0.90 114.38 123.29 1ddx h ARG 3077Ca -0.04 0.03 0.23 0.00 0.07 0.00 0.00 59.98 60.27 1ddx h ARG 3077Cb 0.63 0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.74 1ddx h ARG 3077CO 0.00 -0.27 0.62 0.82 -1.07 0.00 0.00 179.97 180.07 1ddx h ILE 3078N -0.43 0.52 -0.30 2.04 1.08 -1.35 0.59 117.51 119.67 1ddx h ILE 3078Ca -0.00 0.00 -0.17 0.00 -0.39 0.00 0.00 64.86 64.29 1ddx h ILE 3078Cb 0.43 0.56 -0.00 0.00 -3.07 0.00 0.00 36.82 34.74 1ddx h ILE 3078CO -0.17 0.00 -0.50 0.11 -0.69 0.00 0.00 178.15 176.90 1ddx h LYS 3079N 0.00 0.83 0.09 2.37 1.57 0.13 -3.21 116.57 118.36 1ddx h LYS 3079Ca 0.38 -0.50 -0.26 0.00 -1.87 0.00 0.00 60.65 58.40 1ddx h LYS 3079Cb 1.61 0.05 0.01 0.00 0.08 0.00 0.00 32.23 33.98 1ddx h LYS 3079CO -0.00 1.14 -1.14 -0.07 -0.57 0.00 0.00 179.45 178.80 1ddx h LEU 3080N 0.65 0.53 -2.64 2.94 3.38 0.22 -3.05 115.31 117.35 1ddx h LEU 3080Ca 0.03 -0.51 -0.02 0.00 0.09 0.00 0.00 57.88 57.47 1ddx h LEU 3080Cb 1.10 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 1ddx h LEU 3080CO 0.11 1.35 0.03 0.18 0.09 0.00 0.00 178.44 180.20 1ddx n LEU 3081N -3.65 4.49 -0.08 1.67 4.77 0.12 -1.04 117.00 123.29 1ddx n LEU 3081Ca -0.09 -2.11 0.00 0.00 -0.03 0.00 0.00 56.01 53.78 1ddx n LEU 3081Cb 0.95 -0.87 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1ddx n LEU 3081CO 0.54 0.82 0.04 0.18 -1.33 0.00 0.00 177.39 177.63 1ddx n LEU 3082N 1.00 0.00 -4.21 2.23 4.77 -1.21 -4.95 117.00 114.63 1ddx n LEU 3082Ca 0.03 -0.52 -0.41 0.00 -0.03 0.00 0.00 56.01 55.07 1ddx n LEU 3082Cb 0.52 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.53 1ddx n LEU 3082CO 0.03 0.55 -0.00 -0.75 -1.33 0.00 0.00 177.39 175.89 1ddx s LYS 3083N 0.00 2.52 0.16 3.23 2.20 -0.20 -5.04 119.74 122.61 1ddx s LYS 3083Ca 0.00 -1.80 -0.30 0.00 -0.36 0.00 0.00 55.97 53.51 1ddx s LYS 3083Cb 0.00 -3.94 -0.08 0.00 -1.51 0.00 0.00 37.83 32.30 1ddx s LYS 3083CO 0.00 -1.20 1.28 -1.25 -0.36 0.00 0.00 175.35 173.82 1ddx s PRO 3084N 1.30 4.41 0.35 4.03 0.04 -1.26 -4.98 135.00 138.89 1ddx s PRO 3084Ca 0.06 1.97 -0.27 0.00 0.04 0.00 0.00 61.00 62.81 1ddx s PRO 3084Cb -0.26 -3.23 -0.12 0.00 0.04 0.00 0.00 34.50 30.93 1ddx s PRO 3084CO -0.01 -0.24 1.17 0.25 0.04 0.00 0.00 177.00 178.22 1ddx n THR 3085N 2.96 2.15 -0.32 1.26 -2.24 -1.26 -4.75 114.28 112.09 1ddx n THR 3085Ca 0.07 -0.50 0.15 0.00 -2.27 0.00 0.00 64.05 61.49 1ddx n THR 3085Cb 0.44 -1.37 0.38 0.00 -2.10 0.00 0.00 70.33 67.68 1ddx n THR 3085CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1ddx h PRO 3086N 2.18 0.64 -0.32 -0.78 0.13 -1.95 0.13 132.00 132.04 1ddx h PRO 3086Ca -0.45 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 64.64 1ddx h PRO 3086Cb 1.31 -0.14 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 1ddx h PRO 3086CO 0.61 0.42 0.16 -0.91 -0.23 0.00 0.00 178.00 178.05 1ddx h ASN 3087N 0.66 0.41 0.15 1.44 2.35 -1.98 0.60 115.58 119.20 1ddx h ASN 3087Ca 0.53 -0.11 0.01 0.00 -0.55 0.00 0.00 56.30 56.18 1ddx h ASN 3087Cb 0.96 -0.10 -0.03 0.00 0.05 0.00 0.00 38.32 39.20 1ddx h ASN 3087CO -0.30 0.40 -0.40 0.74 -1.65 0.00 0.00 177.43 176.23 1ddx h THR 3088N 0.38 0.00 0.09 2.81 2.02 -1.13 0.15 112.91 117.24 1ddx h THR 3088Ca 0.11 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.30 1ddx h THR 3088Cb 0.10 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 66.46 1ddx h THR 3088CO -0.02 0.00 -0.48 0.58 0.37 0.00 0.00 175.52 175.98 1ddx h VAL 3089N -0.61 0.00 -0.98 3.16 2.07 -1.03 -0.07 116.25 118.79 1ddx h VAL 3089Ca -0.01 0.00 0.25 0.00 0.82 0.00 0.00 66.70 67.76 1ddx h VAL 3089Cb 0.59 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 30.18 1ddx h VAL 3089CO -0.18 0.00 -0.04 1.57 0.02 0.00 0.00 177.57 178.94 1ddx n HIS 3090N -5.16 0.57 0.04 1.57 -0.00 0.21 0.33 115.22 112.78 1ddx n HIS 3090Ca -0.07 1.18 -0.02 0.00 -0.00 0.00 0.00 57.72 58.80 1ddx n HIS 3090Cb 0.37 -1.20 -0.01 0.00 -0.00 0.00 0.00 29.99 29.15 1ddx n HIS 3090CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 176.34 175.42 1ddx h TYR 3091N 0.00 -0.20 -1.27 1.57 3.20 0.10 -0.61 116.97 119.76 1ddx h TYR 3091Ca 0.57 0.00 0.37 0.00 3.14 0.00 0.00 58.73 62.81 1ddx h TYR 3091Cb 1.12 0.08 -0.07 0.00 1.54 0.00 0.00 36.73 39.39 1ddx h TYR 3091CO -0.55 -0.09 0.88 -0.84 -1.64 0.00 0.00 178.16 175.91 1ddx h ILE 3092N -0.14 0.34 -0.19 1.81 -2.65 0.15 0.53 117.51 117.37 1ddx h ILE 3092Ca -0.01 -0.04 -0.12 0.00 1.03 0.00 0.00 64.86 65.72 1ddx h ILE 3092Cb 0.12 0.23 -0.01 0.00 -2.05 0.00 0.00 36.82 35.11 1ddx h ILE 3092CO -0.01 0.02 -0.40 -0.07 0.03 0.00 0.00 178.15 177.71 1ddx h LEU 3093N 0.11 0.46 -2.08 0.16 -0.00 0.60 -3.12 115.31 111.45 1ddx h LEU 3093Ca 0.65 -0.20 0.00 0.00 -0.00 0.00 0.00 57.88 58.33 1ddx h LEU 3093Cb 2.31 -0.13 0.00 0.00 -0.00 0.00 0.00 40.66 42.84 1ddx h LEU 3093CO -0.14 0.82 0.00 0.35 -0.00 0.00 0.00 178.44 179.47 1ddx n THR 3094N -4.03 0.47 -2.83 0.22 -2.24 0.18 -0.53 114.28 105.52 1ddx n THR 3094Ca -0.02 -0.67 0.00 0.00 -2.27 0.00 0.00 64.05 61.09 1ddx n THR 3094Cb 0.50 0.81 0.00 0.00 -2.10 0.00 0.00 70.33 69.54 1ddx n THR 3094CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1ddx n HIS 3095N 1.25 0.00 -1.23 4.78 8.25 -0.68 -4.77 115.22 122.82 1ddx n HIS 3095Ca 0.19 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.65 1ddx n HIS 3095Cb 0.55 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.66 1ddx n HIS 3095CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1ddx n PHE 3096N 0.00 -1.13 -0.09 4.41 3.01 -1.26 -4.67 117.46 117.72 1ddx n PHE 3096Ca 0.00 0.00 0.08 0.00 1.01 0.00 0.00 57.45 58.54 1ddx n PHE 3096Cb 0.00 -0.96 0.14 0.00 -0.01 0.00 0.00 39.48 38.65 1ddx n PHE 3096CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 1ddx n LYS 3097N -1.22 -0.02 0.15 -1.08 4.81 -1.26 0.22 118.16 119.76 1ddx n LYS 3097Ca 0.00 0.40 -0.13 0.00 -0.87 0.00 0.00 58.31 57.70 1ddx n LYS 3097Cb 0.09 -0.69 -0.06 0.00 0.02 0.00 0.00 35.03 34.39 1ddx n LYS 3097CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 1ddx h GLY 3098N 0.00 -0.47 0.89 3.14 0.00 -2.00 0.51 103.07 105.14 1ddx h GLY 3098Ca 0.22 0.26 0.01 0.00 0.00 0.00 0.00 47.33 47.82 1ddx h GLY 3098CO -0.23 -0.21 0.03 -2.08 0.00 0.00 0.00 176.54 174.05 1ddx h VAL 3099N -0.47 0.96 -0.80 4.60 2.07 0.24 -1.69 116.25 121.17 1ddx h VAL 3099Ca 0.00 -0.03 0.18 0.00 0.82 0.00 0.00 66.70 67.68 1ddx h VAL 3099Cb 0.45 0.87 -0.05 0.00 -1.52 0.00 0.00 31.29 31.03 1ddx h VAL 3099CO -0.07 0.02 0.54 -0.50 0.02 0.00 0.00 177.57 177.58 1ddx h TRP 3100N 0.08 0.40 -0.25 1.57 -0.00 -1.13 0.60 115.95 117.23 1ddx h TRP 3100Ca 0.05 0.01 -0.09 0.00 -0.00 0.00 0.00 58.89 58.86 1ddx h TRP 3100Cb 0.04 -0.13 -0.01 0.00 -0.00 0.00 0.00 29.16 29.06 1ddx h TRP 3100CO -0.11 0.13 -0.24 -0.97 -0.00 0.00 0.00 178.44 177.25 1ddx h ASN 3101N 0.33 0.46 0.52 -3.49 -1.24 0.04 0.14 115.58 112.33 1ddx h ASN 3101Ca 0.40 -0.15 -0.03 0.00 0.71 0.00 0.00 56.30 57.24 1ddx h ASN 3101Cb 1.07 -0.12 0.01 0.00 0.73 0.00 0.00 38.32 40.00 1ddx h ASN 3101CO -0.12 0.70 -0.25 0.40 -1.29 0.00 0.00 177.43 176.87 1ddx h ILE 3102N 0.41 0.43 -0.73 2.57 2.04 0.53 -3.15 117.51 119.62 1ddx h ILE 3102Ca 0.06 -0.26 -0.03 0.00 1.00 0.00 0.00 64.86 65.63 1ddx h ILE 3102Cb 0.64 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 37.22 1ddx h ILE 3102CO 0.05 0.04 0.34 0.58 0.00 0.00 0.00 178.15 179.15 1ddx h VAL 3103N -0.87 1.24 0.00 1.67 2.07 -1.31 -2.15 116.25 116.90 1ddx h VAL 3103Ca -0.07 -0.69 0.00 0.00 0.82 0.00 0.00 66.70 66.75 1ddx h VAL 3103Cb 0.60 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1ddx h VAL 3103CO 0.12 0.29 0.05 0.59 0.02 0.00 0.00 177.57 178.63 1ddx n ASN 3104N -4.40 0.00 0.00 0.57 4.13 0.47 0.62 115.26 116.65 1ddx n ASN 3104Ca 0.06 0.16 0.00 0.00 1.68 0.00 0.00 54.58 56.48 1ddx n ASN 3104Cb 0.14 -0.16 0.00 0.00 -1.54 0.00 0.00 39.78 38.22 1ddx n ASN 3104CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1ddx n ASN 3105N -1.09 1.37 -4.04 6.41 3.02 -0.81 -4.90 115.26 115.21 1ddx n ASN 3105Ca 0.00 -1.45 -0.34 0.00 -0.03 0.00 0.00 54.58 52.76 1ddx n ASN 3105Cb 0.05 0.00 -0.11 0.00 -0.61 0.00 0.00 39.78 39.11 1ddx n ASN 3105CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1ddx s ILE 3105N -0.45 3.27 0.00 2.41 -1.09 0.20 -5.03 121.20 120.52 1ddx s ILE 3105Ca 0.00 -3.07 0.00 0.00 -2.23 0.00 0.00 60.65 55.35 1ddx s ILE 3105Cb 0.00 -3.18 0.00 0.00 -1.58 0.00 0.00 42.46 37.70 1ddx s ILE 3105CO 0.00 -0.84 0.34 -2.65 -1.23 0.00 0.00 174.94 170.56 1ddx n PRO 3106N 3.37 0.00 -0.23 2.79 -0.02 -1.26 -0.00 135.00 139.65 1ddx n PRO 3106Ca 0.07 0.34 0.03 0.00 -2.02 0.00 0.00 63.50 61.92 1ddx n PRO 3106Cb 0.36 -0.54 0.14 0.00 -0.02 0.00 0.00 33.50 33.45 1ddx n PRO 3106CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1ddx h PHE 3107N 0.00 0.15 0.57 6.00 -5.15 -1.95 -0.37 116.94 116.19 1ddx h PHE 3107Ca 0.00 0.04 -0.02 0.00 -0.20 0.00 0.00 57.97 57.79 1ddx h PHE 3107Cb 0.00 0.04 -0.01 0.00 0.22 0.00 0.00 35.95 36.20 1ddx h PHE 3107CO -0.27 -0.11 -0.46 -0.07 -2.00 0.00 0.00 178.31 175.40 1ddx h LEU 3108N 0.21 -1.22 -0.41 2.10 3.38 -0.75 0.60 115.31 119.23 1ddx h LEU 3108Ca 0.37 0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.47 1ddx h LEU 3108Cb 0.62 0.39 -0.07 0.00 0.09 0.00 0.00 40.66 41.68 1ddx h LEU 3108CO -0.51 -0.64 -0.45 -0.09 0.09 0.00 0.00 178.44 176.83 1ddx h ARG 3109N -1.00 -0.26 -0.02 1.13 2.43 0.31 0.11 114.38 117.08 1ddx h ARG 3109Ca -0.07 0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.15 1ddx h ARG 3109Cb 0.84 0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 30.39 1ddx h ARG 3109CO 0.00 -0.17 -0.35 0.77 -1.51 0.00 0.00 179.97 178.71 1ddx h SER 3110N -0.27 -1.07 -1.00 -3.80 0.02 -1.02 0.28 113.55 106.69 1ddx h SER 3110Ca 0.07 0.14 0.38 0.00 -0.84 0.00 0.00 61.79 61.54 1ddx h SER 3110Cb 0.45 0.43 -0.17 0.00 0.14 0.00 0.00 62.40 63.25 1ddx h SER 3110CO -0.52 -0.40 0.48 0.25 -1.14 0.00 0.00 176.83 175.49 1ddx h LEU 3111N -0.49 0.25 0.07 5.07 5.85 0.14 0.64 115.31 126.84 1ddx h LEU 3111Ca 0.06 0.25 -0.00 0.00 0.84 0.00 0.00 57.88 59.03 1ddx h LEU 3111Cb 0.59 0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.89 1ddx h LEU 3111CO -0.30 -0.37 -0.03 0.40 -0.34 0.00 0.00 178.44 177.80 1ddx h ILE 3112N 0.06 0.00 -0.88 4.05 1.08 0.16 -1.98 117.51 120.00 1ddx h ILE 3112Ca 0.79 -0.15 0.30 0.00 -0.39 0.00 0.00 64.86 65.41 1ddx h ILE 3112Cb 2.00 0.00 -0.16 0.00 -3.07 0.00 0.00 36.82 35.59 1ddx h ILE 3112CO -0.76 0.00 0.22 0.80 -0.69 0.00 0.00 178.15 177.73 1ddx n MET 3113N -2.66 -0.06 0.38 2.37 1.56 0.73 0.25 117.12 119.70 1ddx n MET 3113Ca -0.01 1.27 -0.18 0.00 -0.27 0.00 0.00 57.70 58.51 1ddx n MET 3113Cb 0.04 -2.13 -0.09 0.00 2.15 0.00 0.00 33.22 33.19 1ddx n MET 3113CO 0.00 0.00 0.00 -0.22 -0.73 0.00 0.00 175.97 175.02 1ddx h LYS 3114N 0.00 -0.93 -0.82 2.12 3.64 0.14 0.42 116.57 121.15 1ddx h LYS 3114Ca 0.63 0.06 0.20 0.00 -1.27 0.00 0.00 60.65 60.27 1ddx h LYS 3114Cb 1.49 0.21 -0.14 0.00 -0.41 0.00 0.00 32.23 33.38 1ddx h LYS 3114CO -0.76 -0.60 0.03 -0.92 -2.27 0.00 0.00 179.45 174.94 1ddx h TYR 3115N -1.05 -0.01 -0.43 1.91 3.20 0.42 0.84 116.97 121.86 1ddx h TYR 3115Ca -0.10 0.06 -0.01 0.00 3.14 0.00 0.00 58.73 61.82 1ddx h TYR 3115Cb 0.76 0.13 -0.02 0.00 1.54 0.00 0.00 36.73 39.14 1ddx h TYR 3115CO -0.01 -0.27 0.23 -0.39 -1.64 0.00 0.00 178.16 176.08 1ddx h VAL 3116N 0.10 1.16 0.38 1.81 -1.51 0.22 0.72 116.25 119.12 1ddx h VAL 3116Ca 0.46 -0.43 -0.00 0.00 -1.23 0.00 0.00 66.70 65.51 1ddx h VAL 3116Cb 0.86 0.66 -0.03 0.00 -2.13 0.00 0.00 31.29 30.66 1ddx h VAL 3116CO -0.72 0.17 -0.42 -0.07 -1.23 0.00 0.00 177.57 175.30 1ddx h LEU 3117N 0.55 -1.17 -1.24 4.19 -0.00 0.50 -2.69 115.31 115.45 1ddx h LEU 3117Ca 0.15 0.10 -0.04 0.00 -0.00 0.00 0.00 57.88 58.09 1ddx h LEU 3117Cb 0.07 0.40 -0.02 0.00 -0.00 0.00 0.00 40.66 41.11 1ddx h LEU 3117CO -0.02 -0.57 0.09 0.71 -0.00 0.00 0.00 178.44 178.65 1ddx h THR 3118N -0.83 1.19 -0.43 0.22 1.35 0.04 -2.84 112.91 111.60 1ddx h THR 3118Ca -0.03 -0.68 0.09 0.00 -0.55 0.00 0.00 66.41 65.24 1ddx h THR 3118Cb 0.75 0.78 -0.09 0.00 -1.73 0.00 0.00 68.15 67.87 1ddx h THR 3118CO -0.09 0.25 -0.14 0.77 -0.25 0.00 0.00 175.52 176.05 1ddx h SER 3119N 0.60 -0.50 0.00 5.36 4.64 0.78 -3.28 113.55 121.15 1ddx h SER 3119Ca 0.14 0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 1ddx h SER 3119Cb 0.24 0.31 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 1ddx h SER 3119CO -0.00 -0.18 0.00 0.54 -0.87 0.00 0.00 176.83 176.32 1ddx n ARG 3120N -5.35 0.00 0.00 4.77 5.12 -1.10 -4.48 116.66 115.62 1ddx n ARG 3120Ca 0.03 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.95 1ddx n ARG 3120Cb 0.26 -0.40 0.00 0.00 -1.16 0.00 0.00 32.46 31.15 1ddx n ARG 3120CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 1ddx n SER 3121N -0.10 0.00 -0.02 0.55 7.64 -1.09 -1.91 113.62 118.69 1ddx n SER 3121Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1ddx n SER 3121Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1ddx n SER 3121CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ddx n TYR 3122N 0.00 0.00 -0.12 1.43 0.18 -1.26 -2.99 117.16 114.41 1ddx n TYR 3122Ca 0.00 0.00 -0.23 0.00 1.88 0.00 0.00 57.90 59.55 1ddx n TYR 3122Cb 0.00 0.00 -0.09 0.00 -0.38 0.00 0.00 39.34 38.87 1ddx n TYR 3122CO 0.00 0.00 0.00 -0.11 -2.08 0.00 0.00 176.86 174.67 1ddx n LEU 3123N -0.27 1.91 -4.74 -3.48 7.94 -0.80 -5.01 117.00 112.55 1ddx n LEU 3123Ca 0.00 0.39 -0.31 0.00 -1.11 0.00 0.00 56.01 54.98 1ddx n LEU 3123Cb 0.00 -0.86 0.10 0.00 0.53 0.00 0.00 43.42 43.19 1ddx n LEU 3123CO 0.00 0.29 0.70 -0.63 -1.11 0.00 0.00 177.39 176.64 1ddx s ILE 3124N -2.49 2.97 -1.13 1.96 -1.09 -1.16 -4.97 121.20 115.29 1ddx s ILE 3124Ca -0.32 0.34 -0.06 0.00 -2.23 0.00 0.00 60.65 58.37 1ddx s ILE 3124Cb 0.10 -2.72 0.27 0.00 -1.58 0.00 0.00 42.46 38.53 1ddx s ILE 3124CO 0.49 -0.39 1.51 0.47 -1.23 0.00 0.00 174.94 175.79 1ddx n ASP 3125N -3.53 6.00 -4.38 3.58 8.00 -1.26 -4.98 116.55 119.98 1ddx n ASP 3125Ca 0.10 -3.29 -0.33 0.00 0.71 0.00 0.00 54.79 51.98 1ddx n ASP 3125Cb 0.53 -1.34 -0.14 0.00 -0.02 0.00 0.00 41.12 40.15 1ddx n ASP 3125CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1ddx s SER 3126N -0.67 4.16 0.55 -2.24 0.15 -1.26 -1.78 113.70 112.62 1ddx s SER 3126Ca 0.33 -0.31 -0.21 0.00 0.70 0.00 0.00 55.95 56.46 1ddx s SER 3126Cb 0.03 -1.65 -0.04 0.00 -1.71 0.00 0.00 66.02 62.65 1ddx s SER 3126CO 0.06 0.14 1.30 -2.16 1.20 0.00 0.00 173.24 173.78 1ddx s PRO 3127N 0.52 3.13 0.65 5.44 0.04 -1.26 -4.94 135.00 138.57 1ddx s PRO 3127Ca -0.07 2.09 -0.18 0.00 0.04 0.00 0.00 61.00 62.88 1ddx s PRO 3127Cb -0.15 -2.18 -0.14 0.00 0.04 0.00 0.00 34.50 32.07 1ddx s PRO 3127CO 0.04 -1.16 -0.25 -2.30 0.04 0.00 0.00 177.00 173.37 1ddx n PRO 3128N -1.15 0.03 0.00 0.56 -0.01 -0.73 -5.04 135.00 128.66 1ddx n PRO 3128Ca 0.11 0.01 0.00 0.00 -0.01 0.00 0.00 63.50 63.61 1ddx n PRO 3128Cb 0.46 -1.07 0.00 0.00 -0.01 0.00 0.00 33.50 32.89 1ddx n PRO 3128CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 175.50 175.74 1ddx n THR 3129N -1.83 0.00 -1.65 3.45 -2.24 -1.26 -4.76 114.28 105.99 1ddx n THR 3129Ca 0.05 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.54 1ddx n THR 3129Cb 0.50 0.00 0.11 0.00 -2.10 0.00 0.00 70.33 68.83 1ddx n THR 3129CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1ddx s TYR 3130N 1.33 2.76 0.14 4.78 1.51 -1.26 -4.22 117.35 122.38 1ddx s TYR 3130Ca 0.00 0.92 -0.02 0.00 -1.01 0.00 0.00 57.07 56.96 1ddx s TYR 3130Cb 0.00 -3.32 0.01 0.00 -0.11 0.00 0.00 41.96 38.54 1ddx s TYR 3130CO 0.00 -1.99 0.22 0.27 -1.11 0.00 0.00 175.55 172.94 1ddx n ASN 3131N -3.52 -0.62 -0.05 2.29 0.23 -0.91 0.24 115.26 112.91 1ddx n ASN 3131Ca 0.07 -1.67 -0.02 0.00 -0.53 0.00 0.00 54.58 52.43 1ddx n ASN 3131Cb 0.59 1.10 -0.02 0.00 -2.08 0.00 0.00 39.78 39.38 1ddx n ASN 3131CO 0.00 0.00 0.00 0.58 -0.93 0.00 0.00 177.26 176.91 1ddx h VAL 3132N 1.37 0.00 0.00 3.53 2.07 -1.91 -2.25 116.25 119.06 1ddx h VAL 3132Ca -0.11 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.41 1ddx h VAL 3132Cb 0.45 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.22 1ddx h VAL 3132CO 0.14 0.00 0.00 1.41 0.02 0.00 0.00 177.57 179.14 1ddx n HIS 3133N -3.29 0.76 -4.06 1.57 8.25 -1.26 -4.63 115.22 112.56 1ddx n HIS 3133Ca 0.00 0.26 -0.33 0.00 -0.26 0.00 0.00 57.72 57.39 1ddx n HIS 3133Cb 0.04 -0.92 -0.15 0.00 1.12 0.00 0.00 29.99 30.08 1ddx n HIS 3133CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 1ddx s TYR 3134N -3.19 3.10 -0.57 4.41 1.51 -0.85 -4.94 117.35 116.82 1ddx s TYR 3134Ca 0.08 -2.00 0.23 0.00 -1.01 0.00 0.00 57.07 54.38 1ddx s TYR 3134Cb 0.11 -1.95 0.19 0.00 -0.11 0.00 0.00 41.96 40.20 1ddx s TYR 3134CO 0.48 -0.83 1.17 0.41 -1.11 0.00 0.00 175.55 175.67 1ddx n GLY 3135N 4.53 -1.35 3.60 0.71 0.00 -1.26 -2.13 105.19 109.29 1ddx n GLY 3135Ca -0.16 -0.30 -0.25 0.00 0.00 0.00 0.00 46.02 45.30 1ddx n GLY 3135CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1ddx s TYR 3136N -3.21 2.65 0.31 1.61 -0.85 -1.26 -4.86 117.35 111.74 1ddx s TYR 3136Ca 0.04 -0.22 -0.29 0.00 -0.52 0.00 0.00 57.07 56.08 1ddx s TYR 3136Cb 0.13 -1.24 -0.10 0.00 0.38 0.00 0.00 41.96 41.13 1ddx s TYR 3136CO 0.76 0.57 1.41 0.15 -1.52 0.00 0.00 175.55 176.92 1ddx s LYS 3137N -3.21 4.26 0.02 -3.49 3.01 -1.26 -4.79 119.74 114.28 1ddx s LYS 3137Ca 0.28 2.35 -0.17 0.00 -1.01 0.00 0.00 55.97 57.42 1ddx s LYS 3137Cb -0.08 -3.06 0.03 0.00 -1.01 0.00 0.00 37.83 33.71 1ddx s LYS 3137CO 0.17 -0.38 0.37 -1.54 0.51 0.00 0.00 175.35 174.49 1ddx s SER 3138N -0.04 -0.24 0.04 2.83 1.04 -1.26 -5.03 113.70 111.03 1ddx s SER 3138Ca 0.54 0.03 -0.26 0.00 0.48 0.00 0.00 55.95 56.75 1ddx s SER 3138Cb -0.42 0.38 -0.17 0.00 0.10 0.00 0.00 66.02 65.90 1ddx s SER 3138CO 0.51 -0.58 1.44 -0.25 0.98 0.00 0.00 173.24 175.35 1ddx h TRP 3139N 3.33 -0.27 -1.10 5.02 2.91 -1.98 0.00 115.95 123.87 1ddx h TRP 3139Ca -0.31 -0.01 0.32 0.00 1.13 0.00 0.00 58.89 60.03 1ddx h TRP 3139Cb 1.19 0.09 -0.12 0.00 -0.51 0.00 0.00 29.16 29.81 1ddx h TRP 3139CO 0.46 -0.00 0.69 1.49 -1.03 0.00 0.00 178.44 180.04 1ddx h GLU 3140N -0.51 0.31 0.00 2.65 4.57 -1.98 0.69 114.58 120.32 1ddx h GLU 3140Ca -0.03 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 1ddx h GLU 3140Cb 0.38 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.90 1ddx h GLU 3140CO 0.05 0.21 0.00 0.00 -1.18 0.00 0.00 179.01 178.08 1ddx n ALA 3141N -2.44 0.00 -0.18 2.92 0.00 -0.76 -1.63 120.51 118.43 1ddx n ALA 3141Ca 0.30 0.00 0.25 0.00 0.00 0.00 0.00 53.44 53.98 1ddx n ALA 3141Cb 1.02 0.00 0.38 0.00 0.00 0.00 0.00 19.45 20.85 1ddx n ALA 3141CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1ddx n PHE 3142N -0.21 0.00 -0.06 0.00 7.35 -0.09 -2.14 117.46 122.31 1ddx n PHE 3142Ca 0.00 0.00 -0.03 0.00 -0.76 0.00 0.00 57.45 56.66 1ddx n PHE 3142Cb 0.00 -0.23 -0.01 0.00 0.35 0.00 0.00 39.48 39.59 1ddx n PHE 3142CO 0.00 0.00 0.00 0.66 -0.76 0.00 0.00 176.76 176.66 1ddx h SER 3143N 0.00 0.00 -1.66 -2.13 4.64 0.36 -3.47 113.55 111.29 1ddx h SER 3143Ca 0.43 0.00 -0.71 0.00 -0.47 0.00 0.00 61.79 61.05 1ddx h SER 3143Cb 2.62 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 64.74 1ddx h SER 3143CO -0.00 0.66 0.85 -3.20 -0.87 0.00 0.00 176.83 174.26 1ddx n ASN 3144N -4.66 2.43 -0.18 4.97 2.85 -0.64 -4.86 115.26 115.17 1ddx n ASN 3144Ca -0.05 1.07 0.11 0.00 -0.11 0.00 0.00 54.58 55.60 1ddx n ASN 3144Cb 0.17 -1.19 0.06 0.00 1.24 0.00 0.00 39.78 40.06 1ddx n ASN 3144CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1ddx n LEU 3145N 4.97 1.19 0.14 1.20 4.77 -1.26 -4.03 117.00 123.98 1ddx n LEU 3145Ca 0.24 -0.44 0.13 0.00 -0.03 0.00 0.00 56.01 55.91 1ddx n LEU 3145Cb 0.17 -0.07 0.34 0.00 -2.33 0.00 0.00 43.42 41.53 1ddx n LEU 3145CO 0.76 0.25 0.85 0.77 -1.33 0.00 0.00 177.39 178.70 1ddx h SER 3146N 0.86 0.00 -4.42 -1.43 4.64 -1.89 -3.44 113.55 107.87 1ddx h SER 3146Ca 0.00 -0.00 -0.46 0.00 -0.47 0.00 0.00 61.79 60.85 1ddx h SER 3146Cb 0.57 0.00 0.12 0.00 -0.31 0.00 0.00 62.40 62.78 1ddx h SER 3146CO 0.00 0.00 0.37 -0.31 -0.87 0.00 0.00 176.83 176.02 1ddx s TYR 3147N -3.13 2.64 -0.12 4.77 1.51 -1.26 0.81 117.35 122.58 1ddx s TYR 3147Ca 0.10 0.74 0.01 0.00 -1.01 0.00 0.00 57.07 56.90 1ddx s TYR 3147Cb 0.10 -3.52 -0.01 0.00 -0.11 0.00 0.00 41.96 38.42 1ddx s TYR 3147CO 0.62 -2.09 -0.16 0.71 -1.11 0.00 0.00 175.55 173.53 1ddx s TYR 3148N -3.50 2.74 0.57 2.71 2.02 0.32 -4.24 117.35 117.97 1ddx s TYR 3148Ca 0.64 -0.68 -0.17 0.00 -0.37 0.00 0.00 57.07 56.49 1ddx s TYR 3148Cb -0.12 -1.79 -0.05 0.00 -0.40 0.00 0.00 41.96 39.60 1ddx s TYR 3148CO 0.51 -0.22 1.05 -0.08 -1.57 0.00 0.00 175.55 175.24 1ddx s THR 3149N 0.25 3.87 -0.18 -0.71 -1.32 0.01 -4.25 115.64 113.30 1ddx s THR 3149Ca -0.11 0.94 0.01 0.00 -1.21 0.00 0.00 61.69 61.32 1ddx s THR 3149Cb -0.16 -3.43 0.02 0.00 -1.51 0.00 0.00 72.50 67.42 1ddx s THR 3149CO 0.06 -0.47 -0.18 -0.13 -2.21 0.00 0.00 174.62 171.68 1ddx s ARG 3150N -3.92 3.04 0.58 7.08 1.81 0.14 -0.15 118.95 127.52 1ddx s ARG 3150Ca 0.64 -0.81 0.28 0.00 -1.72 0.00 0.00 55.73 54.12 1ddx s ARG 3150Cb -0.16 -2.61 1.52 0.00 -0.45 0.00 0.00 34.95 33.25 1ddx s ARG 3150CO 0.33 -0.19 1.98 0.00 -0.68 0.00 0.00 175.30 176.74 1ddx h ALA 3151N 7.91 2.13 -3.78 2.13 0.00 -1.95 -3.39 119.26 122.31 1ddx h ALA 3151Ca -0.45 -0.01 -0.29 0.00 0.00 0.00 0.00 54.91 54.16 1ddx h ALA 3151Cb 1.15 0.03 -0.29 0.00 0.00 0.00 0.00 17.79 18.67 1ddx h ALA 3151CO 0.63 -0.57 -0.74 -0.51 0.00 0.00 0.00 179.25 178.06 1ddx s LEU 3152N -7.77 1.87 0.77 0.00 1.43 -1.26 -5.02 118.68 108.70 1ddx s LEU 3152Ca -0.05 -0.05 -0.14 0.00 -1.03 0.00 0.00 54.13 52.86 1ddx s LEU 3152Cb 0.16 -0.16 0.06 0.00 0.03 0.00 0.00 46.19 46.28 1ddx s LEU 3152CO 0.59 0.01 1.23 -2.16 0.23 0.00 0.00 176.35 176.26 1ddx s PRO 3153N 0.11 1.82 0.00 1.29 0.04 -1.26 -4.91 135.00 132.09 1ddx s PRO 3153Ca -0.01 1.84 0.00 0.00 0.04 0.00 0.00 61.00 62.88 1ddx s PRO 3153Cb -0.03 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.72 1ddx s PRO 3153CO -0.00 -2.09 0.00 -0.35 0.04 0.00 0.00 177.00 174.59 1ddx n PRO 3154N -2.98 -0.12 -5.00 0.56 -0.04 -1.26 -4.66 135.00 121.50 1ddx n PRO 3154Ca 0.14 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.28 1ddx n PRO 3154Cb 0.50 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.81 1ddx n PRO 3154CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1ddx s VAL 3155N -0.66 2.61 -0.10 0.52 1.01 -1.14 -4.94 120.40 117.70 1ddx s VAL 3155Ca 0.00 -0.84 -0.39 0.00 0.00 0.00 0.00 61.98 60.75 1ddx s VAL 3155Cb 0.00 -2.03 -0.17 0.00 0.00 0.00 0.00 36.38 34.17 1ddx s VAL 3155CO 0.00 0.55 1.47 0.00 0.00 0.00 0.00 175.10 177.12 1ddx n ALA 3156N 3.19 -1.07 0.16 5.51 0.00 -1.26 -4.73 120.51 122.31 1ddx n ALA 3156Ca -0.18 0.48 0.10 0.00 0.00 0.00 0.00 53.44 53.84 1ddx n ALA 3156Cb 0.52 -2.08 0.55 0.00 0.00 0.00 0.00 19.45 18.44 1ddx n ALA 3156CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1ddx n ASP 3157N 3.50 0.53 0.08 0.00 8.00 -1.26 0.82 116.55 128.22 1ddx n ASP 3157Ca 0.22 0.74 0.12 0.00 0.71 0.00 0.00 54.79 56.59 1ddx n ASP 3157Cb 0.13 -0.81 0.23 0.00 -0.02 0.00 0.00 41.12 40.66 1ddx n ASP 3157CO 0.00 0.00 0.00 -2.24 -0.39 0.00 0.00 177.20 174.57 1ddx h ASP 3158N 0.00 0.00 -3.88 -2.24 2.03 -2.02 -3.47 116.42 106.85 1ddx h ASP 3158Ca 0.00 -0.15 -0.56 0.00 -0.73 0.00 0.00 57.03 55.59 1ddx h ASP 3158Cb 0.02 0.00 0.16 0.00 -0.83 0.00 0.00 39.33 38.68 1ddx h ASP 3158CO 0.00 0.08 0.34 0.00 -1.03 0.00 0.00 179.24 178.63 1ddx h PRO 3160N 0.49 -0.08 -6.46 0.00 0.13 -1.83 -3.46 132.00 120.78 1ddx h PRO 3160Ca -0.50 0.01 -0.67 0.00 -0.87 0.00 0.00 66.00 63.97 1ddx h PRO 3160Cb 1.35 0.02 -0.17 0.00 0.13 0.00 0.00 31.00 32.33 1ddx h PRO 3160CO 0.52 0.41 -0.73 0.95 -0.23 0.00 0.00 178.00 178.92 1ddx s THR 3161N -3.96 3.44 0.61 1.56 -4.23 -0.09 -4.85 115.64 108.12 1ddx s THR 3161Ca -0.15 -1.08 0.26 0.00 -1.18 0.00 0.00 61.69 59.54 1ddx s THR 3161Cb 0.01 -2.56 0.37 0.00 1.34 0.00 0.00 72.50 71.67 1ddx s THR 3161CO 0.62 0.23 1.39 -0.65 -0.54 0.00 0.00 174.62 175.67 1ddx h PRO 3162N 3.99 0.00 -0.31 3.99 0.11 -1.83 1.62 132.00 139.57 1ddx h PRO 3162Ca -0.48 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.48 1ddx h PRO 3162Cb 1.17 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.19 1ddx h PRO 3162CO 0.53 0.00 -0.11 -1.33 -0.21 0.00 0.00 178.00 176.88 1ddx n MET 3163N -3.28 1.88 0.00 1.05 2.81 -1.26 -4.89 117.12 113.43 1ddx n MET 3163Ca 0.20 -3.16 0.00 0.00 -1.81 0.00 0.00 57.70 52.93 1ddx n MET 3163Cb 1.37 -1.80 0.00 0.00 -0.71 0.00 0.00 33.22 32.08 1ddx n MET 3163CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1ddx n GLY 3164N -1.09 1.81 0.59 3.03 0.00 0.55 -4.32 105.19 105.76 1ddx n GLY 3164Ca 0.31 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.73 1ddx n GLY 3164CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1ddx n VAL 3165N 0.00 0.00 -2.13 1.61 0.24 -1.26 -0.91 118.33 115.88 1ddx n VAL 3165Ca 0.00 0.00 -0.41 0.00 -2.04 0.00 0.00 64.34 61.89 1ddx n VAL 3165Cb 0.00 -0.46 -0.03 0.00 -1.47 0.00 0.00 33.84 31.88 1ddx n VAL 3165CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1ddx s LYS 3166N -1.62 4.33 0.00 7.34 1.02 -1.26 -4.62 119.74 124.93 1ddx s LYS 3166Ca 0.00 2.15 0.00 0.00 0.02 0.00 0.00 55.97 58.14 1ddx s LYS 3166Cb 0.00 -3.17 0.00 0.00 -0.52 0.00 0.00 37.83 34.14 1ddx s LYS 3166CO 0.00 -0.34 0.00 0.41 -0.92 0.00 0.00 175.35 174.50 1ddx n GLY 3167N 2.47 -0.36 4.00 -3.33 0.00 -1.26 -4.26 105.19 102.46 1ddx n GLY 3167Ca 0.07 -2.24 -0.20 0.00 0.00 0.00 0.00 46.02 43.65 1ddx n GLY 3167CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ddx s ASN 3168N -3.42 5.22 0.33 1.61 0.01 -1.26 -4.94 114.94 112.48 1ddx s ASN 3168Ca 0.00 -0.75 0.14 0.00 -0.71 0.00 0.00 52.86 51.54 1ddx s ASN 3168Cb 0.00 -0.04 0.78 0.00 0.41 0.00 0.00 41.25 42.40 1ddx s ASN 3168CO 0.00 -1.09 1.35 0.29 -1.51 0.00 0.00 177.10 176.14 1ddx n LYS 3169N -2.03 0.10 -2.55 -0.60 5.02 -1.26 -4.26 118.16 112.58 1ddx n LYS 3169Ca 0.11 0.58 -0.06 0.00 -2.02 0.00 0.00 58.31 56.92 1ddx n LYS 3169Cb 0.61 -2.08 -0.01 0.00 -0.02 0.00 0.00 35.03 33.54 1ddx n LYS 3169CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1ddx n GLU 3170N -2.08 0.34 -4.38 1.97 1.02 -1.26 -4.67 120.64 111.57 1ddx n GLU 3170Ca -0.01 -1.18 -0.28 0.00 -0.02 0.00 0.00 57.16 55.68 1ddx n GLU 3170Cb 0.28 1.18 -0.11 0.00 -0.02 0.00 0.00 31.44 32.77 1ddx n GLU 3170CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1ddx s LEU 3171N 0.00 2.56 0.23 -4.62 2.01 -1.26 -4.89 118.68 112.71 1ddx s LEU 3171Ca 0.12 -0.75 -0.29 0.00 0.01 0.00 0.00 54.13 53.22 1ddx s LEU 3171Cb -0.01 -1.32 -0.16 0.00 0.01 0.00 0.00 46.19 44.71 1ddx s LEU 3171CO 0.08 0.13 0.80 -0.81 1.01 0.00 0.00 176.35 177.57 1ddx n PRO 3172N 0.39 0.69 -1.71 1.29 -0.04 -1.26 -4.83 135.00 129.53 1ddx n PRO 3172Ca -0.13 0.24 -0.39 0.00 -0.04 0.00 0.00 63.50 63.18 1ddx n PRO 3172Cb 0.55 -1.45 0.04 0.00 -0.04 0.00 0.00 33.50 32.59 1ddx n PRO 3172CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1ddx n ASP 3173N 1.64 2.36 -0.05 3.54 4.64 -1.26 -4.90 116.55 122.52 1ddx n ASP 3173Ca 0.14 0.98 -0.15 0.00 -1.38 0.00 0.00 54.79 54.39 1ddx n ASP 3173Cb 0.28 -1.53 -0.08 0.00 -1.04 0.00 0.00 41.12 38.75 1ddx n ASP 3173CO 0.00 0.00 0.00 0.77 -0.82 0.00 0.00 177.20 177.15 1ddx h SER 3174N 1.43 0.52 -0.92 1.67 4.64 -1.97 -3.20 113.55 115.72 1ddx h SER 3174Ca -0.50 -0.58 0.15 0.00 -0.47 0.00 0.00 61.79 60.40 1ddx h SER 3174Cb 1.31 -0.15 -0.16 0.00 -0.31 0.00 0.00 62.40 63.09 1ddx h SER 3174CO 0.57 1.00 -0.34 0.50 -0.87 0.00 0.00 176.83 177.69 1ddx h LYS 3175N 0.06 -0.02 0.00 4.77 3.64 -1.96 0.80 116.57 123.86 1ddx h LYS 3175Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1ddx h LYS 3175Cb 0.94 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.76 1ddx h LYS 3175CO 0.07 -0.02 0.00 0.39 -2.27 0.00 0.00 179.45 177.63 1ddx n GLU 3176N -5.50 0.00 -0.11 1.90 -0.58 -1.22 -0.81 120.64 114.33 1ddx n GLU 3176Ca 0.10 0.07 -0.01 0.00 -0.42 0.00 0.00 57.16 56.91 1ddx n GLU 3176Cb 0.41 -0.66 0.01 0.00 -0.57 0.00 0.00 31.44 30.63 1ddx n GLU 3176CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1ddx n VAL 3177N -0.23 -0.15 -0.20 2.62 0.31 -0.94 0.18 118.33 119.92 1ddx n VAL 3177Ca 0.00 0.66 -0.06 0.00 -0.01 0.00 0.00 64.34 64.93 1ddx n VAL 3177Cb 0.00 -0.86 -0.05 0.00 -0.91 0.00 0.00 33.84 32.02 1ddx n VAL 3177CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 1ddx h LEU 3178N 0.00 -1.12 0.19 7.52 6.46 0.88 0.17 115.31 129.41 1ddx h LEU 3178Ca 0.09 0.17 -0.01 0.00 -0.12 0.00 0.00 57.88 58.01 1ddx h LEU 3178Cb 0.16 0.49 0.00 0.00 -0.73 0.00 0.00 40.66 40.58 1ddx h LEU 3178CO -0.27 -0.14 -0.09 -0.33 -0.62 0.00 0.00 178.44 176.99 1ddx h GLU 3179N -0.03 -0.24 0.00 1.25 5.08 0.41 0.54 114.58 121.58 1ddx h GLU 3179Ca 0.08 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1ddx h GLU 3179Cb 0.23 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1ddx h GLU 3179CO -0.47 -0.16 0.72 1.63 -1.00 0.00 0.00 179.01 179.73 1ddx n LYS 3180N -3.16 0.02 0.00 2.33 4.76 0.27 -2.96 118.16 119.42 1ddx n LYS 3180Ca -0.03 0.63 0.00 0.00 -2.87 0.00 0.00 58.31 56.04 1ddx n LYS 3180Cb 0.10 -1.93 0.00 0.00 -1.84 0.00 0.00 35.03 31.36 1ddx n LYS 3180CO 0.00 0.00 0.00 1.33 -1.37 0.00 0.00 177.40 177.36 1ddx n VAL 3181N -1.86 0.00 -0.04 -0.18 0.24 0.58 -4.93 118.33 112.13 1ddx n VAL 3181Ca 0.00 0.00 -0.06 0.00 -2.04 0.00 0.00 64.34 62.24 1ddx n VAL 3181Cb 0.72 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 33.07 1ddx n VAL 3181CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1ddx n LEU 3182N 0.00 1.48 -4.54 1.34 4.77 0.16 0.06 117.00 120.27 1ddx n LEU 3182Ca 0.00 0.24 -0.52 0.00 -0.03 0.00 0.00 56.01 55.70 1ddx n LEU 3182Cb 0.17 -0.59 -0.05 0.00 -2.33 0.00 0.00 43.42 40.61 1ddx n LEU 3182CO 0.00 -0.42 0.62 0.18 -1.33 0.00 0.00 177.39 176.44 1ddx n LEU 3183N -3.96 0.80 -4.72 2.23 4.77 0.43 0.10 117.00 116.65 1ddx n LEU 3183Ca -0.09 1.14 -0.42 0.00 -0.03 0.00 0.00 56.01 56.62 1ddx n LEU 3183Cb 0.32 -1.10 -0.03 0.00 -2.33 0.00 0.00 43.42 40.28 1ddx n LEU 3183CO 0.13 -1.62 0.99 -0.60 -1.33 0.00 0.00 177.39 174.95 1ddx s ARG 3184N -0.21 4.37 0.00 3.23 3.52 0.28 -4.00 118.95 126.13 1ddx s ARG 3184Ca 0.79 1.97 0.00 0.00 -0.13 0.00 0.00 55.73 58.36 1ddx s ARG 3184Cb -0.99 -3.27 0.00 0.00 -1.56 0.00 0.00 34.95 29.14 1ddx s ARG 3184CO 0.53 -0.33 0.00 0.54 -0.81 0.00 0.00 175.30 175.23 1ddx n ARG 3185N 3.64 0.00 -3.59 5.12 5.12 -1.22 -4.78 116.66 120.94 1ddx n ARG 3185Ca 0.09 0.04 -0.37 0.00 -1.93 0.00 0.00 57.85 55.69 1ddx n ARG 3185Cb 0.44 -0.37 -0.09 0.00 -1.16 0.00 0.00 32.46 31.28 1ddx n ARG 3185CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1ddx s GLU 3186N -0.59 4.07 -0.00 5.56 2.02 -1.26 -5.02 118.70 123.48 1ddx s GLU 3186Ca 0.00 -0.18 -0.36 0.00 0.02 0.00 0.00 54.97 54.44 1ddx s GLU 3186Cb 0.00 -3.56 -0.15 0.00 0.10 0.00 0.00 34.13 30.52 1ddx s GLU 3186CO 0.00 -0.00 1.56 0.34 0.02 0.00 0.00 175.26 177.18 1ddx n PHE 3187N 4.46 1.93 -3.71 1.61 -0.00 -1.26 -4.94 117.46 115.55 1ddx n PHE 3187Ca -0.13 0.44 -0.37 0.00 -0.00 0.00 0.00 57.45 57.38 1ddx n PHE 3187Cb 0.52 -2.46 -0.12 0.00 -0.00 0.00 0.00 39.48 37.42 1ddx n PHE 3187CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.76 177.18 1ddx s ILE 3188N 1.77 4.69 0.42 -2.13 1.01 -1.26 -5.07 121.20 120.64 1ddx s ILE 3188Ca 0.87 -0.04 -0.21 0.00 0.00 0.00 0.00 60.65 61.27 1ddx s ILE 3188Cb -0.88 -3.20 -0.11 0.00 0.01 0.00 0.00 42.46 38.28 1ddx s ILE 3188CO 0.50 0.32 0.94 -2.16 0.00 0.00 0.00 174.94 174.53 1ddx s PRO 3189N 1.58 4.22 -0.04 2.79 0.04 -1.26 -0.35 135.00 141.99 1ddx s PRO 3189Ca 0.06 1.10 -0.30 0.00 0.04 0.00 0.00 61.00 61.90 1ddx s PRO 3189Cb -0.15 -2.20 -0.04 0.00 0.04 0.00 0.00 34.50 32.15 1ddx s PRO 3189CO 0.06 -0.02 1.31 0.34 0.04 0.00 0.00 177.00 178.73 1ddx s ASP 3190N -2.18 6.94 0.54 6.66 2.15 0.06 -3.86 116.67 126.98 1ddx s ASP 3190Ca 0.61 1.95 0.24 0.00 0.43 0.00 0.00 52.55 55.78 1ddx s ASP 3190Cb -0.09 -2.56 1.41 0.00 -0.30 0.00 0.00 42.92 41.38 1ddx s ASP 3190CO 0.13 -0.67 2.05 1.55 -0.17 0.00 0.00 175.17 178.06 1ddx h PRO 3191N 7.75 0.00 0.00 4.34 0.13 -1.82 -2.12 132.00 140.29 1ddx h PRO 3191Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1ddx h PRO 3191Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1ddx h PRO 3191CO 0.90 0.00 0.00 1.04 -0.23 0.00 0.00 178.00 179.71 1ddx n GLN 3192N -4.31 0.04 -0.69 0.86 6.02 -1.23 -4.87 117.38 113.20 1ddx n GLN 3192Ca 0.05 0.25 0.00 0.00 -0.01 0.00 0.00 57.00 57.30 1ddx n GLN 3192Cb 0.44 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.20 1ddx n GLN 3192CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ddx n GLY 3193N -0.18 0.66 3.51 1.08 0.00 -0.80 -4.84 105.19 104.63 1ddx n GLY 3193Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 1ddx n GLY 3193CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ddx n SER 3194N 0.00 1.76 -2.96 1.61 7.64 -1.26 -0.38 113.62 120.03 1ddx n SER 3194Ca 0.00 -0.06 -0.14 0.00 1.01 0.00 0.00 58.87 59.68 1ddx n SER 3194Cb 0.00 -1.32 0.11 0.00 -1.01 0.00 0.00 64.21 61.99 1ddx n SER 3194CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1ddx n ASN 3195N 12.76 -0.67 0.09 6.43 0.23 -1.03 0.13 115.26 133.19 1ddx n ASN 3195Ca 0.46 -1.05 -0.04 0.00 -0.53 0.00 0.00 54.58 53.42 1ddx n ASN 3195Cb 0.32 -0.49 0.16 0.00 -2.08 0.00 0.00 39.78 37.69 1ddx n ASN 3195CO 0.00 0.00 0.00 0.24 -0.93 0.00 0.00 177.26 176.57 1ddx h MET 3196N 0.00 0.24 0.00 -3.83 2.86 -0.93 -2.94 114.93 110.33 1ddx h MET 3196Ca -0.20 -0.14 0.00 0.00 -2.06 0.00 0.00 59.70 57.29 1ddx h MET 3196Cb 0.59 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.26 1ddx h MET 3196CO 0.14 0.71 0.00 -1.33 1.06 0.00 0.00 176.91 177.49 1ddx n MET 3197N -3.92 0.00 -0.39 1.72 2.81 -0.94 -0.70 117.12 115.70 1ddx n MET 3197Ca -0.02 0.70 -0.10 0.00 -1.81 0.00 0.00 57.70 56.47 1ddx n MET 3197Cb 0.57 -1.44 -0.09 0.00 -0.71 0.00 0.00 33.22 31.56 1ddx n MET 3197CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1ddx n PHE 3198N -2.30 -0.38 -0.03 2.03 7.35 -1.22 -0.72 117.46 122.18 1ddx n PHE 3198Ca 0.00 1.16 -0.02 0.00 -0.76 0.00 0.00 57.45 57.83 1ddx n PHE 3198Cb 0.00 -0.59 -0.01 0.00 0.35 0.00 0.00 39.48 39.23 1ddx n PHE 3198CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1ddx h ALA 3199N 0.51 -0.26 -0.76 3.13 0.00 -1.21 0.52 119.26 121.19 1ddx h ALA 3199Ca 0.16 0.01 0.20 0.00 0.00 0.00 0.00 54.91 55.28 1ddx h ALA 3199Cb 0.39 0.87 -0.04 0.00 0.00 0.00 0.00 17.79 19.01 1ddx h ALA 3199CO -0.87 -0.31 0.53 0.74 0.00 0.00 0.00 179.25 179.34 1ddx h PHE 3200N -0.04 0.14 0.00 0.00 0.04 0.17 0.34 116.94 117.58 1ddx h PHE 3200Ca 0.01 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.79 1ddx h PHE 3200Cb 0.07 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 38.18 1ddx h PHE 3200CO -0.74 0.04 0.00 0.34 -0.60 0.00 0.00 178.31 177.35 1ddx n PHE 3201N -4.37 0.00 -0.13 -0.55 7.35 0.10 0.10 117.46 119.96 1ddx n PHE 3201Ca 0.15 0.00 0.02 0.00 -0.76 0.00 0.00 57.45 56.86 1ddx n PHE 3201Cb 0.76 0.00 0.04 0.00 0.35 0.00 0.00 39.48 40.63 1ddx n PHE 3201CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1ddx n ALA 3202N -0.58 0.06 0.35 3.13 0.00 -0.01 0.19 120.51 123.64 1ddx n ALA 3202Ca 0.00 0.40 -0.17 0.00 0.00 0.00 0.00 53.44 53.67 1ddx n ALA 3202Cb 0.00 -0.22 -0.09 0.00 0.00 0.00 0.00 19.45 19.14 1ddx n ALA 3202CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1ddx h GLN 3203N 0.00 -0.97 0.29 0.00 5.75 -0.20 0.02 115.11 119.99 1ddx h GLN 3203Ca 0.16 0.07 0.00 0.00 -0.15 0.00 0.00 58.65 58.74 1ddx h GLN 3203Cb 0.26 0.22 -0.03 0.00 1.07 0.00 0.00 27.48 29.00 1ddx h GLN 3203CO -0.38 -0.65 -0.40 1.25 -2.65 0.00 0.00 178.83 176.01 1ddx h HIS 3204N -1.01 -1.10 0.13 3.99 2.76 0.91 -2.74 115.15 118.09 1ddx h HIS 3204Ca -0.08 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.10 1ddx h HIS 3204Cb 0.82 0.44 -0.01 0.00 1.55 0.00 0.00 27.41 30.21 1ddx h HIS 3204CO -0.11 -0.53 -0.20 0.35 -1.30 0.00 0.00 177.93 176.14 1ddx h PHE 3205N -0.74 -0.55 0.00 5.26 3.57 -0.11 -1.76 116.94 122.61 1ddx h PHE 3205Ca -0.01 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1ddx h PHE 3205Cb 0.70 0.22 0.00 0.00 2.79 0.00 0.00 35.95 39.67 1ddx h PHE 3205CO -0.27 -0.24 0.43 1.79 -2.23 0.00 0.00 178.31 177.78 1ddx h THR 3206N -0.34 0.00 0.00 4.41 1.35 -1.03 -2.16 112.91 115.14 1ddx h THR 3206Ca -0.02 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.84 1ddx h THR 3206Cb 0.31 0.30 0.00 0.00 -1.73 0.00 0.00 68.15 67.03 1ddx h THR 3206CO -0.06 0.00 0.00 1.41 -0.25 0.00 0.00 175.52 176.62 1ddx n HIS 3207N -2.21 0.00 -0.08 4.73 8.25 -0.66 -2.09 115.22 123.16 1ddx n HIS 3207Ca -0.01 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.36 1ddx n HIS 3207Cb 0.45 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.53 1ddx n HIS 3207CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ddx n GLN 3208N -0.84 0.48 0.42 -0.41 10.64 -0.81 -4.60 117.38 122.26 1ddx n GLN 3208Ca 0.12 0.49 -0.16 0.00 -1.83 0.00 0.00 57.00 55.62 1ddx n GLN 3208Cb 0.05 -1.67 -0.08 0.00 -0.86 0.00 0.00 30.24 27.69 1ddx n GLN 3208CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.06 175.50 1ddx h PHE 3209N -1.00 -0.99 -3.04 2.61 -0.00 -1.76 -3.40 116.94 109.36 1ddx h PHE 3209Ca -0.08 -0.02 -0.54 0.00 -0.00 0.00 0.00 57.97 57.33 1ddx h PHE 3209Cb 0.73 0.33 0.00 0.00 -0.00 0.00 0.00 35.95 37.00 1ddx h PHE 3209CO -0.19 -0.62 0.71 -0.06 -0.00 0.00 0.00 178.31 178.15 1ddx s PHE 3210N -5.21 3.16 -0.03 6.09 0.08 -0.89 -4.54 117.98 116.64 1ddx s PHE 3210Ca -0.16 1.05 0.01 0.00 0.12 0.00 0.00 56.93 57.96 1ddx s PHE 3210Cb 0.02 -3.56 0.04 0.00 -0.57 0.00 0.00 43.02 38.95 1ddx s PHE 3210CO 0.47 -1.90 0.81 1.63 -0.10 0.00 0.00 175.22 176.13 1ddx n LYS 3211N 4.62 0.12 -0.48 0.44 5.02 -1.26 -4.47 118.16 122.15 1ddx n LYS 3211Ca 0.11 -0.77 -0.19 0.00 -2.02 0.00 0.00 58.31 55.44 1ddx n LYS 3211Cb 0.45 0.48 -0.03 0.00 -0.02 0.00 0.00 35.03 35.91 1ddx n LYS 3211CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1ddx n THR 3212N -0.14 0.00 -3.15 -0.18 -1.04 -1.26 -3.32 114.28 105.19 1ddx n THR 3212Ca -0.20 0.00 -0.45 0.00 -2.04 0.00 0.00 64.05 61.36 1ddx n THR 3212Cb 0.61 -0.05 -0.05 0.00 -1.82 0.00 0.00 70.33 69.02 1ddx n THR 3212CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1ddx s ASP 3213N 0.29 6.19 0.28 8.00 2.15 0.47 -4.81 116.67 129.25 1ddx s ASP 3213Ca 0.29 -1.36 0.05 0.00 0.43 0.00 0.00 52.55 51.96 1ddx s ASP 3213Cb -0.41 -2.29 0.42 0.00 -0.30 0.00 0.00 42.92 40.34 1ddx s ASP 3213CO 0.20 -1.03 1.69 0.45 -0.17 0.00 0.00 175.17 176.31 1ddx h HIS 3214N 9.11 0.37 -0.99 -5.34 3.86 -1.85 0.07 115.15 120.39 1ddx h HIS 3214Ca -0.29 -0.10 0.22 0.00 -1.16 0.00 0.00 60.37 59.04 1ddx h HIS 3214Cb 1.09 -0.08 -0.09 0.00 1.06 0.00 0.00 27.41 29.39 1ddx h HIS 3214CO 0.80 0.66 0.63 0.87 0.86 0.00 0.00 177.93 181.75 1ddx h LYS 3215N 0.27 0.50 0.00 2.45 1.79 -1.98 -2.28 116.57 117.33 1ddx h LYS 3215Ca 0.03 -0.03 -0.04 0.00 -2.18 0.00 0.00 60.65 58.43 1ddx h LYS 3215Cb 0.80 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 31.33 1ddx h LYS 3215CO 0.06 0.33 -0.33 0.00 -1.08 0.00 0.00 179.45 178.44 1ddx h ARG 3216N 0.52 0.00 0.00 3.15 3.08 -1.85 -3.51 114.38 115.77 1ddx h ARG 3216Ca 0.55 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.60 1ddx h ARG 3216Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.26 1ddx h ARG 3216CO -0.29 0.50 0.00 0.41 -1.07 0.00 0.00 179.97 179.52 1ddx n GLY 3217N 1.63 -0.59 0.18 0.04 0.00 -0.03 -4.97 105.19 101.45 1ddx n GLY 3217Ca -0.10 -1.24 -0.04 0.00 0.00 0.00 0.00 46.02 44.63 1ddx n GLY 3217CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1ddx h PRO 3218N 0.00 0.22 0.00 1.61 0.11 -1.85 -3.20 132.00 128.89 1ddx h PRO 3218Ca 0.00 -0.14 0.00 0.00 0.11 0.00 0.00 66.00 65.97 1ddx h PRO 3218Cb 0.00 0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.12 1ddx h PRO 3218CO 0.00 0.71 0.00 0.78 -0.21 0.00 0.00 178.00 179.28 1ddx h GLY 3219N 1.41 0.00 -5.54 -0.55 0.00 -1.94 -3.46 103.07 93.00 1ddx h GLY 3219Ca 0.00 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.72 1ddx h GLY 3219CO 0.08 0.00 -0.30 -1.36 0.00 0.00 0.00 176.54 174.96 1ddx s PHE 3220N -3.19 3.58 0.27 5.60 0.40 -1.21 -0.52 117.98 122.91 1ddx s PHE 3220Ca 0.08 0.73 0.06 0.00 -0.60 0.00 0.00 56.93 57.21 1ddx s PHE 3220Cb 0.11 -2.26 -0.03 0.00 0.51 0.00 0.00 43.02 41.34 1ddx s PHE 3220CO 0.54 0.46 0.31 -0.08 0.70 0.00 0.00 175.22 177.15 1ddx s THR 3221N -0.30 4.58 -0.26 0.64 -1.32 0.24 -0.39 115.64 118.84 1ddx s THR 3221Ca 0.19 -1.18 0.09 0.00 -1.21 0.00 0.00 61.69 59.58 1ddx s THR 3221Cb -0.14 -3.55 -0.12 0.00 -1.51 0.00 0.00 72.50 67.18 1ddx s THR 3221CO 0.07 -0.29 0.31 0.54 -2.21 0.00 0.00 174.62 173.04 1ddx n ARG 3222N -1.36 2.47 -2.92 7.08 1.74 -1.21 -4.61 116.66 117.84 1ddx n ARG 3222Ca -0.06 -0.04 -0.44 0.00 -0.77 0.00 0.00 57.85 56.54 1ddx n ARG 3222Cb 0.58 -1.05 -0.01 0.00 -1.02 0.00 0.00 32.46 30.95 1ddx n ARG 3222CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1ddx s GLY 3223N -2.36 2.11 0.37 -0.13 0.00 -1.26 -4.78 107.32 101.27 1ddx s GLY 3223Ca 0.01 -3.01 0.27 0.00 0.00 0.00 0.00 44.72 41.99 1ddx s GLY 3223CO 0.38 2.05 1.82 1.41 0.00 0.00 0.00 173.10 178.76 1ddx h LEU 3224N 10.20 0.00 -2.65 0.66 3.38 -1.86 -0.90 115.31 124.13 1ddx h LEU 3224Ca 0.23 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.20 1ddx h LEU 3224Cb 0.96 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.71 1ddx h LEU 3224CO 1.17 0.00 0.10 1.23 0.09 0.00 0.00 178.44 181.03 1ddx h GLY 3225N 1.44 0.00 -6.73 0.83 0.00 -1.94 -3.45 103.07 93.22 1ddx h GLY 3225Ca 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 46.82 1ddx h GLY 3225CO 0.00 0.00 -0.80 1.42 0.00 0.00 0.00 176.54 177.16 1ddx n HIS 3226N -3.16 -1.04 -0.01 5.60 8.25 -0.34 -4.75 115.22 119.76 1ddx n HIS 3226Ca -0.02 0.51 0.00 0.00 -0.26 0.00 0.00 57.72 57.94 1ddx n HIS 3226Cb 0.17 -2.30 0.00 0.00 1.12 0.00 0.00 29.99 28.98 1ddx n HIS 3226CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ddx n GLY 3227N -2.29 -2.75 3.56 -1.41 0.00 -1.26 -4.42 105.19 96.62 1ddx n GLY 3227Ca -0.26 -1.36 -0.16 0.00 0.00 0.00 0.00 46.02 44.24 1ddx n GLY 3227CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ddx s VAL 3228N -1.95 3.06 -0.00 1.61 1.01 -1.26 -4.56 120.40 118.31 1ddx s VAL 3228Ca 0.00 -0.05 0.01 0.00 0.00 0.00 0.00 61.98 61.94 1ddx s VAL 3228Cb 0.00 -3.14 0.01 0.00 0.00 0.00 0.00 36.38 33.25 1ddx s VAL 3228CO 0.00 -0.13 0.82 -0.90 0.00 0.00 0.00 175.10 174.89 1ddx n ASP 3229N 18.07 1.22 -3.84 3.32 3.85 -1.26 -5.00 116.55 132.92 1ddx n ASP 3229Ca 0.46 -1.67 -0.30 0.00 -0.71 0.00 0.00 54.79 52.57 1ddx n ASP 3229Cb 0.44 -0.02 -0.02 0.00 -1.35 0.00 0.00 41.12 40.16 1ddx n ASP 3229CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.20 176.37 1ddx n LEU 3230N -0.34 -1.37 0.28 -2.12 4.77 -1.26 -4.79 117.00 112.17 1ddx n LEU 3230Ca 0.01 -0.71 0.18 0.00 -0.03 0.00 0.00 56.01 55.46 1ddx n LEU 3230Cb 0.37 -1.93 0.77 0.00 -2.33 0.00 0.00 43.42 40.30 1ddx n LEU 3230CO 0.00 0.19 1.02 -0.55 -1.33 0.00 0.00 177.39 176.72 1ddx h ASN 3231N -1.09 0.00 1.10 -1.43 7.08 -1.90 -1.33 115.58 118.02 1ddx h ASN 3231Ca -0.49 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.73 1ddx h ASN 3231Cb 1.32 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.56 1ddx h ASN 3231CO 0.65 0.00 0.00 1.12 -2.08 0.00 0.00 177.43 177.12 1ddx h HIS 3232N 0.00 0.00 0.02 4.14 2.07 -1.84 1.30 115.15 120.84 1ddx h HIS 3232Ca 0.00 0.00 -0.37 0.00 -2.85 0.00 0.00 60.37 57.15 1ddx h HIS 3232Cb 0.40 0.00 -0.06 0.00 2.57 0.00 0.00 27.41 30.32 1ddx h HIS 3232CO 0.00 0.00 -2.28 -0.89 -3.07 0.00 0.00 177.93 171.69 1ddx n ILE 3233N -2.67 1.52 -0.19 6.12 5.41 -0.55 0.92 119.36 129.92 1ddx n ILE 3233Ca 0.02 -0.70 0.04 0.00 1.00 0.00 0.00 62.75 63.11 1ddx n ILE 3233Cb 0.32 -1.12 0.10 0.00 -0.71 0.00 0.00 39.64 38.24 1ddx n ILE 3233CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 1ddx n TYR 3234N -3.11 0.30 -0.21 1.39 4.01 -0.87 -2.75 117.16 115.92 1ddx n TYR 3234Ca -0.36 -0.54 0.03 0.00 -0.16 0.00 0.00 57.90 56.87 1ddx n TYR 3234Cb 1.06 -0.06 -0.01 0.00 -0.31 0.00 0.00 39.34 40.02 1ddx n TYR 3234CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ddx n GLY 3235N 0.01 -2.67 0.09 2.72 0.00 0.45 -3.23 105.19 102.55 1ddx n GLY 3235Ca 0.08 -1.40 -0.18 0.00 0.00 0.00 0.00 46.02 44.52 1ddx n GLY 3235CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1ddx h GLU 3236N -0.20 0.01 -6.97 1.61 4.39 -1.81 -3.43 114.58 108.18 1ddx h GLU 3236Ca -0.03 -0.02 -0.48 0.00 0.34 0.00 0.00 59.36 59.17 1ddx h GLU 3236Cb 0.20 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.85 1ddx h GLU 3236CO 0.01 1.01 0.24 0.95 -1.16 0.00 0.00 179.01 180.06 1ddx s THR 3237N -2.31 4.60 0.11 1.13 -4.23 -1.26 -4.95 115.64 108.73 1ddx s THR 3237Ca -0.24 1.07 -0.21 0.00 -1.18 0.00 0.00 61.69 61.13 1ddx s THR 3237Cb 0.02 -3.67 -0.10 0.00 1.34 0.00 0.00 72.50 70.09 1ddx s THR 3237CO 0.65 -0.45 1.76 -0.07 -0.54 0.00 0.00 174.62 175.97 1ddx h LEU 3238N 1.53 0.15 -0.79 4.79 3.38 -1.91 -0.74 115.31 121.71 1ddx h LEU 3238Ca -0.48 -0.00 0.12 0.00 0.09 0.00 0.00 57.88 57.61 1ddx h LEU 3238Cb 1.18 -0.04 -0.13 0.00 0.09 0.00 0.00 40.66 41.76 1ddx h LEU 3238CO 0.63 0.11 -0.41 -0.78 0.09 0.00 0.00 178.44 178.08 1ddx h ASP 3239N 0.17 -1.46 0.63 -0.43 -0.00 -1.97 0.52 116.42 113.88 1ddx h ASP 3239Ca 0.05 0.28 -0.03 0.00 -0.00 0.00 0.00 57.03 57.33 1ddx h ASP 3239Cb -0.02 0.71 -0.01 0.00 -0.00 0.00 0.00 39.33 40.02 1ddx h ASP 3239CO -0.01 -0.30 -0.44 -0.09 -0.00 0.00 0.00 179.24 178.40 1ddx h ARG 3240N -0.10 -0.99 -0.99 0.28 2.43 -1.82 -2.76 114.38 110.44 1ddx h ARG 3240Ca 0.26 0.07 0.24 0.00 -0.81 0.00 0.00 59.98 59.73 1ddx h ARG 3240Cb 0.56 0.22 -0.19 0.00 -0.42 0.00 0.00 29.97 30.15 1ddx h ARG 3240CO -0.83 -0.66 -0.10 -0.56 -1.51 0.00 0.00 179.97 176.31 1ddx h GLN 3241N -1.03 0.00 -0.32 0.20 3.07 0.53 0.38 115.11 117.95 1ddx h GLN 3241Ca -0.08 -0.00 -0.04 0.00 0.09 0.00 0.00 58.65 58.61 1ddx h GLN 3241Cb 0.84 -0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.38 1ddx h GLN 3241CO 0.05 0.00 0.02 0.45 0.09 0.00 0.00 178.83 179.44 1ddx h HIS 3242N 0.00 0.49 0.00 0.06 3.86 0.14 -1.23 115.15 118.47 1ddx h HIS 3242Ca 0.54 -0.04 -0.12 0.00 -1.16 0.00 0.00 60.37 59.60 1ddx h HIS 3242Cb 1.00 -0.14 -0.02 0.00 1.06 0.00 0.00 27.41 29.31 1ddx h HIS 3242CO -0.62 0.47 -0.56 0.87 0.86 0.00 0.00 177.93 178.95 1ddx h LYS 3243N 0.46 0.00 -0.01 2.45 1.57 0.01 -2.09 116.57 118.96 1ddx h LYS 3243Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1ddx h LYS 3243Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.59 1ddx h LYS 3243CO 0.01 0.56 -0.05 1.28 -0.57 0.00 0.00 179.45 180.68 1ddx n LEU 3244N -3.84 0.70 -4.90 2.94 4.77 -0.62 -4.81 117.00 111.24 1ddx n LEU 3244Ca -0.01 -0.18 -0.33 0.00 -0.03 0.00 0.00 56.01 55.46 1ddx n LEU 3244Cb 0.57 -0.06 -0.05 0.00 -2.33 0.00 0.00 43.42 41.55 1ddx n LEU 3244CO 0.41 0.12 -0.09 -0.13 -1.33 0.00 0.00 177.39 176.37 1ddx s ARG 3245N -2.18 3.52 0.01 3.23 0.52 -0.56 -0.78 118.95 122.71 1ddx s ARG 3245Ca 0.37 -0.23 0.21 0.00 -0.52 0.00 0.00 55.73 55.56 1ddx s ARG 3245Cb 0.21 -3.03 -0.23 0.00 0.52 0.00 0.00 34.95 32.42 1ddx s ARG 3245CO 0.40 0.62 0.59 -0.11 0.02 0.00 0.00 175.30 176.81 1ddx n LEU 3246N 0.70 0.30 -3.24 2.53 7.94 0.67 -4.38 117.00 121.52 1ddx n LEU 3246Ca -0.08 0.12 -0.15 0.00 -1.11 0.00 0.00 56.01 54.79 1ddx n LEU 3246Cb 0.52 0.07 0.07 0.00 0.53 0.00 0.00 43.42 44.61 1ddx n LEU 3246CO 0.46 0.05 0.04 0.49 -1.11 0.00 0.00 177.39 177.32 1ddx n PHE 3247N -2.51 -2.37 -3.45 1.96 0.99 -1.24 -4.98 117.46 105.86 1ddx n PHE 3247Ca -0.08 0.86 0.01 0.00 -0.00 0.00 0.00 57.45 58.23 1ddx n PHE 3247Cb 0.69 -4.26 -0.04 0.00 -1.00 0.00 0.00 39.48 34.86 1ddx n PHE 3247CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.76 176.91 1ddx s LYS 3248N -4.54 0.34 -1.53 -1.08 1.02 -1.26 -4.89 119.74 107.81 1ddx s LYS 3248Ca 0.37 0.84 0.00 0.00 0.02 0.00 0.00 55.97 57.19 1ddx s LYS 3248Cb -0.05 0.48 0.00 0.00 -0.52 0.00 0.00 37.83 37.74 1ddx s LYS 3248CO 0.72 -0.11 0.00 -0.25 -0.92 0.00 0.00 175.35 174.79 1ddx n ASP 3249N 4.96 -4.33 -2.39 2.83 8.00 -1.26 -1.16 116.55 123.19 1ddx n ASP 3249Ca -0.10 0.28 -0.16 0.00 0.71 0.00 0.00 54.79 55.52 1ddx n ASP 3249Cb 0.52 -3.83 -0.01 0.00 -0.02 0.00 0.00 41.12 37.79 1ddx n ASP 3249CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ddx n GLY 3250N -0.53 -0.42 3.86 0.44 0.00 -1.19 -4.50 105.19 102.86 1ddx n GLY 3250Ca -0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.53 1ddx n GLY 3250CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ddx s LYS 3251N -4.97 3.87 0.09 1.61 1.02 -0.31 -3.61 119.74 117.43 1ddx s LYS 3251Ca 0.00 0.39 -0.27 0.00 0.02 0.00 0.00 55.97 56.11 1ddx s LYS 3251Cb 0.00 -2.65 -0.06 0.00 -0.52 0.00 0.00 37.83 34.60 1ddx s LYS 3251CO 0.00 0.31 0.85 -0.51 -0.92 0.00 0.00 175.35 175.08 1ddx s LEU 3252N -2.72 4.49 0.21 3.17 1.43 -1.26 -0.23 118.68 123.76 1ddx s LEU 3252Ca 0.47 1.62 -0.32 0.00 -1.03 0.00 0.00 54.13 54.87 1ddx s LEU 3252Cb -0.12 -3.39 -0.14 0.00 0.03 0.00 0.00 46.19 42.57 1ddx s LEU 3252CO 0.20 0.00 1.35 0.29 0.23 0.00 0.00 176.35 178.42 1ddx n LYS 3253N 2.66 1.78 -1.13 1.70 5.02 0.04 -4.66 118.16 123.57 1ddx n LYS 3253Ca -0.01 0.63 0.00 0.00 -2.02 0.00 0.00 58.31 56.92 1ddx n LYS 3253Cb 0.50 -2.25 0.00 0.00 -0.02 0.00 0.00 35.03 33.25 1ddx n LYS 3253CO 0.00 0.00 0.00 2.48 -0.52 0.00 0.00 177.40 179.36 1ddx n TYR 3254N 1.91 0.00 -3.60 2.13 0.18 -1.26 -4.23 117.16 112.29 1ddx n TYR 3254Ca 0.13 0.00 -0.14 0.00 1.88 0.00 0.00 57.90 59.78 1ddx n TYR 3254Cb 0.29 0.00 -0.07 0.00 -0.38 0.00 0.00 39.34 39.18 1ddx n TYR 3254CO 0.00 0.00 0.00 1.14 -2.08 0.00 0.00 176.86 175.92 1ddx s GLN 3255N -0.70 0.79 -0.28 -3.48 -2.07 0.22 -4.52 119.66 109.62 1ddx s GLN 3255Ca 0.00 0.68 -0.07 0.00 -1.82 0.00 0.00 55.36 54.14 1ddx s GLN 3255Cb 0.00 0.38 -0.01 0.00 -1.09 0.00 0.00 33.01 32.30 1ddx s GLN 3255CO 0.00 -0.15 0.09 0.08 -1.32 0.00 0.00 175.29 173.99 1ddx s VAL 3256N -0.13 4.16 -0.14 3.63 1.01 -1.26 0.20 120.40 127.88 1ddx s VAL 3256Ca -0.02 -0.49 0.01 0.00 0.00 0.00 0.00 61.98 61.49 1ddx s VAL 3256Cb -0.03 -3.08 -0.00 0.00 0.00 0.00 0.00 36.38 33.27 1ddx s VAL 3256CO 0.01 0.16 -0.18 -0.63 0.00 0.00 0.00 175.10 174.47 1ddx s ILE 3257N 1.55 2.52 -1.50 2.22 1.01 0.43 -4.67 121.20 122.75 1ddx s ILE 3257Ca 0.04 -0.83 -0.07 0.00 0.00 0.00 0.00 60.65 59.79 1ddx s ILE 3257Cb -0.16 -2.04 0.06 0.00 0.01 0.00 0.00 42.46 40.33 1ddx s ILE 3257CO 0.03 0.53 0.62 0.61 0.00 0.00 0.00 174.94 176.73 1ddx n GLY 3258N 3.86 -0.33 2.45 6.18 0.00 -1.26 -0.02 105.19 116.07 1ddx n GLY 3258Ca -0.19 0.15 -0.09 0.00 0.00 0.00 0.00 46.02 45.89 1ddx n GLY 3258CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ddx n GLY 3259N -1.75 1.02 3.31 -0.02 0.00 -1.26 -5.00 105.19 101.49 1ddx n GLY 3259Ca -0.15 -0.29 -0.27 0.00 0.00 0.00 0.00 46.02 45.30 1ddx n GLY 3259CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ddx s GLU 3260N -2.53 1.41 -0.22 1.61 0.41 0.97 -5.11 118.70 115.24 1ddx s GLU 3260Ca 0.00 -1.13 -0.27 0.00 -0.41 0.00 0.00 54.97 53.16 1ddx s GLU 3260Cb 0.00 -1.67 0.00 0.00 -1.78 0.00 0.00 34.13 30.68 1ddx s GLU 3260CO 0.00 0.41 0.95 0.08 -0.49 0.00 0.00 175.26 176.21 1ddx s VAL 3261N -0.95 4.76 0.06 2.63 1.01 -1.26 -0.43 120.40 126.22 1ddx s VAL 3261Ca 0.10 1.85 0.01 0.00 0.00 0.00 0.00 61.98 63.93 1ddx s VAL 3261Cb -0.10 -4.23 -0.03 0.00 0.00 0.00 0.00 36.38 32.02 1ddx s VAL 3261CO 0.03 -0.11 -0.06 -0.31 0.00 0.00 0.00 175.10 174.65 1ddx s TYR 3262N 2.88 0.68 1.01 5.22 1.51 0.13 -4.97 117.35 123.82 1ddx s TYR 3262Ca 0.41 -0.76 -0.15 0.00 -1.01 0.00 0.00 57.07 55.56 1ddx s TYR 3262Cb -0.15 -0.42 0.06 0.00 -0.11 0.00 0.00 41.96 41.33 1ddx s TYR 3262CO 0.08 -0.17 0.23 -2.30 -1.11 0.00 0.00 175.55 172.27 1ddx n PRO 3263N 0.66 -0.77 -2.86 -1.71 -0.02 -1.26 -0.61 135.00 128.42 1ddx n PRO 3263Ca -0.17 -0.19 -0.22 0.00 -2.02 0.00 0.00 63.50 60.90 1ddx n PRO 3263Cb 0.58 -1.78 0.02 0.00 -0.02 0.00 0.00 33.50 32.30 1ddx n PRO 3263CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1ddx s PRO 3264N -3.53 2.83 0.61 0.52 0.04 -1.26 -4.25 135.00 129.95 1ddx s PRO 3264Ca 0.56 -0.69 -0.15 0.00 0.04 0.00 0.00 61.00 60.77 1ddx s PRO 3264Cb -0.17 -2.55 -0.03 0.00 0.04 0.00 0.00 34.50 31.78 1ddx s PRO 3264CO 0.67 -0.44 1.05 0.95 0.04 0.00 0.00 177.00 179.26 1ddx s THR 3265N -2.61 3.98 0.29 1.26 -4.23 -1.26 -0.04 115.64 113.03 1ddx s THR 3265Ca 0.52 0.86 0.12 0.00 -1.18 0.00 0.00 61.69 62.01 1ddx s THR 3265Cb -0.10 -3.45 0.01 0.00 1.34 0.00 0.00 72.50 70.31 1ddx s THR 3265CO 0.37 -0.63 1.67 0.58 -0.54 0.00 0.00 174.62 176.08 1ddx h VAL 3266N 0.22 1.36 0.00 2.29 2.07 -1.50 -2.67 116.25 118.02 1ddx h VAL 3266Ca -0.46 -1.87 0.00 0.00 0.82 0.00 0.00 66.70 65.19 1ddx h VAL 3266Cb 1.21 2.02 0.00 0.00 -1.52 0.00 0.00 31.29 33.00 1ddx h VAL 3266CO 0.58 0.53 0.00 1.17 0.02 0.00 0.00 177.57 179.87 1ddx n LYS 3267N -3.85 0.10 -0.00 1.57 4.81 -1.26 0.37 118.16 119.90 1ddx n LYS 3267Ca -0.01 0.11 0.03 0.00 -0.87 0.00 0.00 58.31 57.57 1ddx n LYS 3267Cb 0.56 -1.50 -0.05 0.00 0.02 0.00 0.00 35.03 34.06 1ddx n LYS 3267CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1ddx n ASP 3268N -1.43 1.61 0.00 3.14 8.00 -1.04 -4.62 116.55 122.21 1ddx n ASP 3268Ca 0.07 -0.38 0.00 0.00 0.71 0.00 0.00 54.79 55.19 1ddx n ASP 3268Cb 0.23 1.13 0.00 0.00 -0.02 0.00 0.00 41.12 42.46 1ddx n ASP 3268CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1ddx n THR 3269N -1.40 0.00 -0.83 -3.53 -2.24 -1.04 -4.98 114.28 100.26 1ddx n THR 3269Ca 0.00 -0.44 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 1ddx n THR 3269Cb 0.14 0.97 0.00 0.00 -2.10 0.00 0.00 70.33 69.34 1ddx n THR 3269CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ddx n GLN 3270N -0.95 -1.49 -1.61 -0.78 3.00 0.16 -4.87 117.38 110.85 1ddx n GLN 3270Ca 0.00 0.36 -0.37 0.00 -0.01 0.00 0.00 57.00 56.97 1ddx n GLN 3270Cb 0.00 -4.75 0.06 0.00 0.00 0.00 0.00 30.24 25.56 1ddx n GLN 3270CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 1ddx n VAL 3271N -1.90 3.88 -2.71 5.09 0.31 -1.25 -4.91 118.33 116.84 1ddx n VAL 3271Ca 0.00 -0.49 -0.43 0.00 -0.01 0.00 0.00 64.34 63.41 1ddx n VAL 3271Cb 0.36 -1.19 -0.03 0.00 -0.91 0.00 0.00 33.84 32.07 1ddx n VAL 3271CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1ddx s GLU 3272N -2.94 3.96 -0.04 5.55 0.41 -1.26 -4.86 118.70 119.51 1ddx s GLU 3272Ca 0.77 0.84 0.02 0.00 -0.41 0.00 0.00 54.97 56.20 1ddx s GLU 3272Cb -0.40 -3.77 0.01 0.00 -1.78 0.00 0.00 34.13 28.19 1ddx s GLU 3272CO 0.46 -0.95 -0.10 -1.64 -0.49 0.00 0.00 175.26 172.54 1ddx s MET 3273N 3.63 1.26 -0.56 1.61 -1.94 -1.26 -4.36 119.30 117.68 1ddx s MET 3273Ca 0.43 -0.34 -0.27 0.00 -1.71 0.00 0.00 55.69 53.80 1ddx s MET 3273Cb -0.12 -1.12 0.03 0.00 2.01 0.00 0.00 34.83 35.64 1ddx s MET 3273CO 0.18 0.07 1.10 0.42 -0.01 0.00 0.00 175.02 176.78 1ddx s ILE 3274N 0.44 4.16 0.06 2.53 1.01 0.18 -5.01 121.20 124.57 1ddx s ILE 3274Ca -0.08 0.73 0.02 0.00 0.00 0.00 0.00 60.65 61.32 1ddx s ILE 3274Cb -0.12 -4.65 -0.03 0.00 0.01 0.00 0.00 42.46 37.67 1ddx s ILE 3274CO 0.02 -1.23 -0.07 -0.31 0.00 0.00 0.00 174.94 173.35 1ddx s TYR 3275N 4.57 0.70 0.07 3.97 2.02 -1.26 -4.57 117.35 122.85 1ddx s TYR 3275Ca 0.39 -0.66 -0.24 0.00 -0.37 0.00 0.00 57.07 56.19 1ddx s TYR 3275Cb -0.09 -0.42 -0.06 0.00 -0.40 0.00 0.00 41.96 40.99 1ddx s TYR 3275CO 0.24 -0.13 0.75 -1.25 -1.57 0.00 0.00 175.55 173.59 1ddx s PRO 3276N -2.38 4.48 0.08 -1.71 0.04 -1.26 -4.98 135.00 129.28 1ddx s PRO 3276Ca -0.03 1.05 0.01 0.00 0.04 0.00 0.00 61.00 62.07 1ddx s PRO 3276Cb -0.04 -3.33 0.21 0.00 0.04 0.00 0.00 34.50 31.37 1ddx s PRO 3276CO -0.02 0.38 0.40 -2.30 0.04 0.00 0.00 177.00 175.49 1ddx n PRO 3277N 2.46 -0.02 -0.13 0.56 -0.02 -1.26 -1.68 135.00 134.91 1ddx n PRO 3277Ca -0.04 0.37 -0.08 0.00 -2.02 0.00 0.00 63.50 61.74 1ddx n PRO 3277Cb 0.50 -0.60 0.07 0.00 -0.02 0.00 0.00 33.50 33.45 1ddx n PRO 3277CO 0.00 0.00 0.00 1.12 1.98 0.00 0.00 175.50 178.60 1ddx h HIS 3278N 0.00 0.99 -0.95 6.00 2.07 -2.03 -3.46 115.15 117.76 1ddx h HIS 3278Ca 0.16 -0.20 -0.76 0.00 -2.85 0.00 0.00 60.37 56.72 1ddx h HIS 3278Cb 0.34 -0.25 0.04 0.00 2.57 0.00 0.00 27.41 30.12 1ddx h HIS 3278CO -0.12 0.96 0.12 -0.89 -3.07 0.00 0.00 177.93 174.93 1ddx n ILE 3279N -4.14 0.00 -2.75 6.12 2.08 -0.67 -4.90 119.36 115.10 1ddx n ILE 3279Ca 0.01 0.00 -0.37 0.00 0.56 0.00 0.00 62.75 62.95 1ddx n ILE 3279Cb 0.40 -0.05 -0.06 0.00 -0.75 0.00 0.00 39.64 39.18 1ddx n ILE 3279CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 1ddx s PRO 3280N 0.28 4.56 0.27 0.38 0.04 -1.26 -4.86 135.00 134.41 1ddx s PRO 3280Ca 0.88 1.37 0.00 0.00 0.04 0.00 0.00 61.00 63.29 1ddx s PRO 3280Cb -1.23 -2.81 0.60 0.00 0.04 0.00 0.00 34.50 31.10 1ddx s PRO 3280CO 0.57 0.25 1.72 0.93 0.04 0.00 0.00 177.00 180.50 1ddx h GLU 3281N 3.17 0.43 0.00 4.56 5.08 -1.94 0.68 114.58 126.56 1ddx h GLU 3281Ca -0.47 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 1ddx h GLU 3281Cb 1.19 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.35 1ddx h GLU 3281CO 0.65 0.28 0.05 0.27 -1.00 0.00 0.00 179.01 179.26 1ddx n ASN 3282N -5.01 0.07 -0.01 1.42 6.94 -1.26 -1.11 115.26 116.31 1ddx n ASN 3282Ca 0.18 0.49 0.02 0.00 -0.02 0.00 0.00 54.58 55.26 1ddx n ASN 3282Cb 0.53 -0.50 -0.05 0.00 -2.36 0.00 0.00 39.78 37.41 1ddx n ASN 3282CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1ddx n LEU 3283N -1.56 0.00 -4.55 -4.53 4.77 0.22 -4.93 117.00 106.42 1ddx n LEU 3283Ca -0.00 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.70 1ddx n LEU 3283Cb 0.06 0.02 -0.04 0.00 -2.33 0.00 0.00 43.42 41.12 1ddx n LEU 3283CO 0.01 0.02 1.63 -1.10 -1.33 0.00 0.00 177.39 176.62 1ddx s GLN 3284N -2.40 2.06 0.31 3.23 -0.21 -0.27 -4.93 119.66 117.45 1ddx s GLN 3284Ca -0.02 0.82 -0.25 0.00 0.02 0.00 0.00 55.36 55.92 1ddx s GLN 3284Cb 0.04 -4.67 -0.10 0.00 1.00 0.00 0.00 33.01 29.28 1ddx s GLN 3284CO 0.26 -3.59 0.91 -0.06 -2.12 0.00 0.00 175.29 170.68 1ddx s PHE 3285N 12.38 3.67 -0.19 0.91 2.99 -1.26 -1.38 117.98 135.10 1ddx s PHE 3285Ca 0.89 1.71 -0.01 0.00 0.00 0.00 0.00 56.93 59.51 1ddx s PHE 3285Cb -0.14 -2.87 -0.00 0.00 0.00 0.00 0.00 43.02 40.01 1ddx s PHE 3285CO 0.17 0.21 -0.11 0.00 -0.00 0.00 0.00 175.22 175.49 1ddx s ALA 3286N -1.63 2.62 0.18 5.36 0.00 0.94 -4.70 121.76 124.53 1ddx s ALA 3286Ca 0.50 -1.12 -0.12 0.00 0.00 0.00 0.00 51.96 51.22 1ddx s ALA 3286Cb -0.18 -1.43 0.00 0.00 0.00 0.00 0.00 23.12 21.52 1ddx s ALA 3286CO 0.23 -0.24 0.37 0.14 0.00 0.00 0.00 175.76 176.25 1ddx s VAL 3287N 1.15 0.05 0.23 0.00 -7.23 -1.26 -4.05 120.40 109.29 1ddx s VAL 3287Ca 0.01 -1.21 -0.02 0.00 -1.81 0.00 0.00 61.98 58.95 1ddx s VAL 3287Cb -0.14 -1.79 0.34 0.00 0.56 0.00 0.00 36.38 35.35 1ddx s VAL 3287CO -0.04 -0.23 1.21 0.61 -0.31 0.00 0.00 175.10 176.35 1ddx n GLY 3288N -0.26 -1.17 3.67 2.32 0.00 -0.73 -4.05 105.19 104.97 1ddx n GLY 3288Ca -0.08 0.79 -0.37 0.00 0.00 0.00 0.00 46.02 46.36 1ddx n GLY 3288CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ddx s GLN 3289N -5.83 4.12 0.45 1.61 -1.52 0.26 -3.51 119.66 115.24 1ddx s GLN 3289Ca -0.11 -0.09 0.19 0.00 -1.95 0.00 0.00 55.36 53.40 1ddx s GLN 3289Cb 0.22 -3.53 1.07 0.00 -0.22 0.00 0.00 33.01 30.56 1ddx s GLN 3289CO 0.61 0.05 1.96 1.05 -0.25 0.00 0.00 175.29 178.70 1ddx h GLU 3290N 7.38 0.00 0.09 2.91 4.11 -1.76 -3.16 114.58 124.14 1ddx h GLU 3290Ca -0.38 0.00 -0.28 0.00 0.07 0.00 0.00 59.36 58.77 1ddx h GLU 3290Cb 1.17 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 1ddx h GLU 3290CO 0.69 0.22 -1.38 -0.24 0.07 0.00 0.00 179.01 178.37 1ddx h VAL 3291N 0.00 1.32 0.00 -1.06 3.04 -1.90 0.51 116.25 118.16 1ddx h VAL 3291Ca -0.00 -2.96 0.00 0.00 -1.01 0.00 0.00 66.70 62.72 1ddx h VAL 3291Cb 0.47 2.80 0.00 0.00 -2.01 0.00 0.00 31.29 32.55 1ddx h VAL 3291CO 0.03 0.84 0.39 0.49 -1.01 0.00 0.00 177.57 178.31 1ddx n PHE 3292N -3.43 0.00 0.13 3.17 3.01 -1.20 -1.78 117.46 117.37 1ddx n PHE 3292Ca -0.12 0.00 0.01 0.00 1.01 0.00 0.00 57.45 58.35 1ddx n PHE 3292Cb 1.02 -0.05 0.07 0.00 -0.01 0.00 0.00 39.48 40.51 1ddx n PHE 3292CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 1ddx h GLY 3293N 0.00 0.00 0.29 1.37 0.00 -1.81 -3.13 103.07 99.78 1ddx h GLY 3293Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ddx h GLY 3293CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.58 1ddx n LEU 3294N -3.35 0.00 -3.42 3.11 4.77 -0.73 -4.46 117.00 112.91 1ddx n LEU 3294Ca 0.01 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.78 1ddx n LEU 3294Cb 0.72 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.71 1ddx n LEU 3294CO 0.41 0.00 -0.22 -0.69 -1.33 0.00 0.00 177.39 175.56 1ddx s VAL 3295N -2.00 -0.26 0.64 4.08 1.01 -1.24 -1.66 120.40 120.97 1ddx s VAL 3295Ca 0.10 -0.82 0.20 0.00 0.00 0.00 0.00 61.98 61.47 1ddx s VAL 3295Cb 0.05 -0.93 0.24 0.00 0.00 0.00 0.00 36.38 35.74 1ddx s VAL 3295CO 0.08 -0.61 1.54 -0.65 0.00 0.00 0.00 175.10 175.45 1ddx h PRO 3296N 7.83 0.00 0.08 2.72 0.11 -1.80 0.94 132.00 141.87 1ddx h PRO 3296Ca -0.07 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.03 1ddx h PRO 3296Cb 1.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1ddx h PRO 3296CO 0.31 0.00 -0.04 0.78 -0.21 0.00 0.00 178.00 178.84 1ddx h GLY 3297N 0.00 -0.11 0.20 -0.55 0.00 -1.93 -2.22 103.07 98.47 1ddx h GLY 3297Ca 0.13 0.04 -0.01 0.00 0.00 0.00 0.00 47.33 47.49 1ddx h GLY 3297CO -0.00 -0.04 -0.12 1.41 0.00 0.00 0.00 176.54 177.79 1ddx h LEU 3298N -0.51 -0.30 -0.79 3.11 4.07 0.58 -2.99 115.31 118.49 1ddx h LEU 3298Ca -0.01 0.02 0.23 0.00 0.08 0.00 0.00 57.88 58.20 1ddx h LEU 3298Cb 0.43 0.09 -0.15 0.00 1.08 0.00 0.00 40.66 42.11 1ddx h LEU 3298CO 0.02 -0.19 0.08 0.80 -1.08 0.00 0.00 178.44 178.07 1ddx n MET 3299N -2.94 -0.06 0.11 1.13 1.56 -0.52 0.23 117.12 116.63 1ddx n MET 3299Ca -0.04 1.17 -0.14 0.00 -0.27 0.00 0.00 57.70 58.42 1ddx n MET 3299Cb 0.12 -1.89 -0.07 0.00 2.15 0.00 0.00 33.22 33.54 1ddx n MET 3299CO 0.00 0.00 0.00 1.98 -0.73 0.00 0.00 175.97 177.22 1ddx h MET 3300N 0.00 -0.59 0.02 2.12 1.85 -1.26 0.01 114.93 117.09 1ddx h MET 3300Ca 0.51 0.04 0.03 0.00 -0.61 0.00 0.00 59.70 59.67 1ddx h MET 3300Cb 1.10 0.13 -0.04 0.00 0.43 0.00 0.00 31.60 33.23 1ddx h MET 3300CO -0.72 -0.39 -0.25 1.88 -0.40 0.00 0.00 176.91 177.03 1ddx h TYR 3301N -0.61 -0.67 0.00 1.39 0.05 -0.09 -0.94 116.97 116.10 1ddx h TYR 3301Ca 0.03 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.83 1ddx h TYR 3301Cb 0.64 0.29 0.00 0.00 1.01 0.00 0.00 36.73 38.68 1ddx h TYR 3301CO -0.34 -0.34 0.00 0.00 -1.05 0.00 0.00 178.16 176.43 1ddx n ALA 3302N -2.65 -0.00 -0.18 3.88 0.00 -0.48 0.62 120.51 121.71 1ddx n ALA 3302Ca -0.05 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.52 1ddx n ALA 3302Cb 0.28 0.29 0.25 0.00 0.00 0.00 0.00 19.45 20.27 1ddx n ALA 3302CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1ddx n THR 3303N -1.39 -0.23 0.03 0.00 -1.04 -0.05 0.65 114.28 112.26 1ddx n THR 3303Ca 0.00 1.13 -0.01 0.00 -2.04 0.00 0.00 64.05 63.13 1ddx n THR 3303Cb 0.00 -1.75 -0.01 0.00 -1.82 0.00 0.00 70.33 66.75 1ddx n THR 3303CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 1ddx h ILE 3304N 0.00 0.00 -0.67 12.58 2.04 0.16 -1.05 117.51 130.56 1ddx h ILE 3304Ca 0.40 -0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.38 1ddx h ILE 3304Cb 0.97 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.93 1ddx h ILE 3304CO -0.45 0.00 -0.28 -0.50 0.00 0.00 0.00 178.15 176.92 1ddx h TRP 3305N -0.09 -0.72 -0.63 1.37 -0.00 0.25 0.52 115.95 116.65 1ddx h TRP 3305Ca -0.01 0.07 0.13 0.00 -0.00 0.00 0.00 58.89 59.08 1ddx h TRP 3305Cb 0.06 0.42 -0.11 0.00 -0.00 0.00 0.00 29.16 29.53 1ddx h TRP 3305CO 0.20 -0.36 -0.09 1.25 -0.00 0.00 0.00 178.44 179.44 1ddx h LEU 3306N -0.09 -0.46 -0.97 -4.49 6.46 -0.51 0.87 115.31 116.12 1ddx h LEU 3306Ca 0.29 0.18 0.03 0.00 -0.12 0.00 0.00 57.88 58.26 1ddx h LEU 3306Cb 0.55 0.34 -0.06 0.00 -0.73 0.00 0.00 40.66 40.77 1ddx h LEU 3306CO -0.73 -0.17 0.63 0.03 -0.62 0.00 0.00 178.44 177.58 1ddx h ARG 3307N 0.04 1.20 0.31 1.25 3.08 0.12 -2.73 114.38 117.66 1ddx h ARG 3307Ca 0.32 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.30 1ddx h ARG 3307Cb 0.50 -0.27 -0.03 0.00 0.08 0.00 0.00 29.97 30.26 1ddx h ARG 3307CO -0.60 0.79 -0.37 1.49 -1.07 0.00 0.00 179.97 180.21 1ddx h GLU 3308N 1.23 -0.70 0.00 0.04 4.57 0.43 -0.14 114.58 120.02 1ddx h GLU 3308Ca 0.38 0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.61 1ddx h GLU 3308Cb -0.01 0.16 0.00 0.00 -0.16 0.00 0.00 28.75 28.73 1ddx h GLU 3308CO -0.12 -0.47 0.00 1.58 -1.18 0.00 0.00 179.01 178.83 1ddx n HIS 3309N -5.47 0.00 -0.32 0.92 -0.00 0.50 -0.45 115.22 110.41 1ddx n HIS 3309Ca -0.09 0.00 0.28 0.00 0.46 0.00 0.00 57.72 58.37 1ddx n HIS 3309Cb 0.37 -0.32 0.61 0.00 -0.12 0.00 0.00 29.99 30.53 1ddx n HIS 3309CO 0.00 0.00 0.00 -0.91 0.46 0.00 0.00 176.34 175.89 1ddx h ASN 3310N 0.00 0.26 -0.00 0.26 4.21 -1.53 0.84 115.58 119.62 1ddx h ASN 3310Ca 0.00 0.05 0.01 0.00 1.21 0.00 0.00 56.30 57.57 1ddx h ASN 3310Cb 0.00 0.01 -0.01 0.00 -1.12 0.00 0.00 38.32 37.20 1ddx h ASN 3310CO 0.00 0.04 -0.04 -0.09 -1.29 0.00 0.00 177.43 176.06 1ddx h ARG 3311N 0.23 -0.06 -0.32 0.81 2.43 0.97 -1.91 114.38 116.51 1ddx h ARG 3311Ca 0.58 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.77 1ddx h ARG 3311Cb 1.81 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 31.35 1ddx h ARG 3311CO -0.19 -0.04 0.19 0.28 -1.51 0.00 0.00 179.97 178.70 1ddx h VAL 3312N -0.06 1.03 -0.73 0.20 2.07 0.33 -2.47 116.25 116.62 1ddx h VAL 3312Ca 0.02 -0.13 0.14 0.00 0.82 0.00 0.00 66.70 67.55 1ddx h VAL 3312Cb 0.09 0.61 -0.14 0.00 -1.52 0.00 0.00 31.29 30.33 1ddx h VAL 3312CO -0.04 0.07 -0.21 0.00 0.02 0.00 0.00 177.57 177.41 1ddx h ASP 3314N -0.02 -0.10 -0.85 0.00 3.45 -0.90 0.11 116.42 118.10 1ddx h ASP 3314Ca 0.34 0.06 0.10 0.00 0.43 0.00 0.00 57.03 57.96 1ddx h ASP 3314Cb 0.55 0.10 -0.08 0.00 -0.56 0.00 0.00 39.33 39.34 1ddx h ASP 3314CO -0.76 -0.02 0.49 0.40 -1.57 0.00 0.00 179.24 177.78 1ddx h ILE 3315N 0.07 0.90 0.66 0.35 2.04 -0.66 -1.04 117.51 119.84 1ddx h ILE 3315Ca 0.12 -0.28 -0.03 0.00 1.00 0.00 0.00 64.86 65.67 1ddx h ILE 3315Cb 0.15 0.02 0.01 0.00 -0.74 0.00 0.00 36.82 36.26 1ddx h ILE 3315CO -0.20 0.15 -0.32 -0.07 0.00 0.00 0.00 178.15 177.71 1ddx h LEU 3316N 0.81 -0.75 -1.06 1.44 3.38 -0.15 -2.28 115.31 116.70 1ddx h LEU 3316Ca 0.41 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.38 1ddx h LEU 3316Cb 0.40 0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.34 1ddx h LEU 3316CO -0.26 -0.38 0.65 0.50 0.09 0.00 0.00 178.44 179.04 1ddx h LYS 3317N -1.16 0.00 0.01 1.13 3.64 -0.41 1.40 116.57 121.18 1ddx h LYS 3317Ca -0.09 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.29 1ddx h LYS 3317Cb 0.71 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.53 1ddx h LYS 3317CO 0.15 0.00 -0.00 0.37 -2.27 0.00 0.00 179.45 177.69 1ddx h GLN 3318N 0.00 -0.01 -0.34 1.90 5.75 -0.85 -3.15 115.11 118.41 1ddx h GLN 3318Ca 0.01 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.50 1ddx h GLN 3318Cb 1.31 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.85 1ddx h GLN 3318CO -0.00 0.83 0.17 0.93 -2.65 0.00 0.00 178.83 178.12 1ddx h GLU 3319N -0.94 0.49 -3.06 1.69 3.07 0.22 -3.36 114.58 112.69 1ddx h GLU 3319Ca -0.00 -0.07 -0.62 0.00 -0.50 0.00 0.00 59.36 58.17 1ddx h GLU 3319Cb 0.85 -0.09 -0.42 0.00 -0.84 0.00 0.00 28.75 28.25 1ddx h GLU 3319CO 0.00 0.43 -0.60 -1.01 -1.40 0.00 0.00 179.01 176.44 1ddx s HIS 3320N -5.76 3.42 -1.16 4.33 3.76 0.14 -4.87 115.29 115.15 1ddx s HIS 3320Ca -0.13 -3.28 0.07 0.00 -0.15 0.00 0.00 55.06 51.57 1ddx s HIS 3320Cb 0.10 -2.62 0.32 0.00 1.11 0.00 0.00 32.58 31.49 1ddx s HIS 3320CO 0.73 -0.57 1.17 -0.35 -0.85 0.00 0.00 174.74 174.87 1ddx n PRO 3321N 2.07 0.04 -0.85 8.40 -0.04 -1.19 -1.34 135.00 142.10 1ddx n PRO 3321Ca 0.19 0.32 0.01 0.00 -0.04 0.00 0.00 63.50 63.99 1ddx n PRO 3321Cb 0.35 -1.50 0.32 0.00 -0.04 0.00 0.00 33.50 32.64 1ddx n PRO 3321CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1ddx n GLU 3322N -1.42 3.81 -3.87 0.54 -0.00 -1.26 -5.00 120.64 113.44 1ddx n GLU 3322Ca 0.02 -3.07 -0.21 0.00 -0.00 0.00 0.00 57.16 53.90 1ddx n GLU 3322Cb 0.07 -2.13 -0.03 0.00 -0.00 0.00 0.00 31.44 29.36 1ddx n GLU 3322CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.13 175.55 1ddx s TRP 3323N -2.91 3.16 0.30 -1.84 0.52 -0.45 -5.12 118.94 112.60 1ddx s TRP 3323Ca 0.52 -0.15 0.04 0.00 0.02 0.00 0.00 56.10 56.53 1ddx s TRP 3323Cb 0.41 -1.66 -0.02 0.00 -1.15 0.00 0.00 33.47 31.05 1ddx s TRP 3323CO 0.12 0.31 0.44 0.20 0.02 0.00 0.00 176.95 178.05 1ddx s GLY 3324N -3.98 1.37 0.11 0.98 0.00 -1.26 -4.94 107.32 99.59 1ddx s GLY 3324Ca 0.37 -1.24 -0.34 0.00 0.00 0.00 0.00 44.72 43.51 1ddx s GLY 3324CO 0.28 -1.20 1.56 -1.80 0.00 0.00 0.00 173.10 171.93 1ddx h ASP 3325N 0.97 -1.67 0.07 1.64 3.58 -1.94 0.67 116.42 119.74 1ddx h ASP 3325Ca -0.49 0.19 0.00 0.00 0.42 0.00 0.00 57.03 57.15 1ddx h ASP 3325Cb 1.24 0.64 0.00 0.00 1.72 0.00 0.00 39.33 42.93 1ddx h ASP 3325CO 0.58 -0.52 0.00 -0.62 -2.88 0.00 0.00 179.24 175.81 1ddx n GLU 3326N -5.46 0.11 -0.03 0.28 -0.58 -1.26 -0.95 120.64 112.75 1ddx n GLU 3326Ca -0.07 0.58 -0.21 0.00 -0.42 0.00 0.00 57.16 57.04 1ddx n GLU 3326Cb 0.39 -1.85 -0.13 0.00 -0.57 0.00 0.00 31.44 29.29 1ddx n GLU 3326CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59 1ddx n GLN 3327N -2.08 0.71 0.35 3.49 7.27 -0.12 -3.36 117.38 123.65 1ddx n GLN 3327Ca -0.01 0.31 -0.18 0.00 0.07 0.00 0.00 57.00 57.19 1ddx n GLN 3327Cb 0.05 -1.69 -0.09 0.00 2.41 0.00 0.00 30.24 30.91 1ddx n GLN 3327CO 0.00 0.00 0.00 -0.07 0.07 0.00 0.00 177.06 177.06 1ddx h LEU 3328N -0.16 -1.07 -0.98 1.69 3.38 -0.30 0.24 115.31 118.11 1ddx h LEU 3328Ca -0.43 0.07 0.27 0.00 0.09 0.00 0.00 57.88 57.87 1ddx h LEU 3328Cb 1.88 0.32 -0.13 0.00 0.09 0.00 0.00 40.66 42.82 1ddx h LEU 3328CO 0.00 -0.63 0.53 0.15 0.09 0.00 0.00 178.44 178.57 1ddx h PHE 3329N -1.00 0.88 0.12 1.13 3.57 -1.11 0.20 116.94 120.73 1ddx h PHE 3329Ca -0.08 0.04 -0.28 0.00 3.53 0.00 0.00 57.97 61.18 1ddx h PHE 3329Cb 0.82 -0.23 0.02 0.00 2.79 0.00 0.00 35.95 39.35 1ddx h PHE 3329CO -0.13 -0.06 -1.22 1.96 -2.23 0.00 0.00 178.31 176.63 1ddx h GLN 3330N 0.43 0.43 -0.37 1.11 1.08 -1.43 -2.87 115.11 113.50 1ddx h GLN 3330Ca 0.66 -0.63 -0.05 0.00 -1.45 0.00 0.00 58.65 57.18 1ddx h GLN 3330Cb 1.35 0.22 -0.01 0.00 -0.05 0.00 0.00 27.48 28.98 1ddx h GLN 3330CO -0.54 1.27 0.04 1.15 -0.95 0.00 0.00 178.83 179.80 1ddx h THR 3331N 0.17 1.24 0.04 -0.54 2.02 0.89 -2.42 112.91 114.31 1ddx h THR 3331Ca -0.16 -0.89 0.01 0.00 0.77 0.00 0.00 66.41 66.14 1ddx h THR 3331Cb 1.91 1.10 -0.03 0.00 -1.74 0.00 0.00 68.15 69.39 1ddx h THR 3331CO 0.22 0.30 -0.28 0.28 0.37 0.00 0.00 175.52 176.40 1ddx h SER 3332N 0.46 -0.85 -1.44 4.18 0.02 -0.74 0.21 113.55 115.39 1ddx h SER 3332Ca 0.11 0.09 0.42 0.00 -0.84 0.00 0.00 61.79 61.57 1ddx h SER 3332Cb 0.39 0.32 -0.06 0.00 0.14 0.00 0.00 62.40 63.19 1ddx h SER 3332CO 0.01 -0.29 1.04 -0.09 -1.14 0.00 0.00 176.83 176.37 1ddx h ARG 3333N -0.39 0.00 -0.01 3.45 2.43 -1.44 0.63 114.38 119.05 1ddx h ARG 3333Ca -0.00 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.11 1ddx h ARG 3333Cb 0.39 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 1ddx h ARG 3333CO -0.16 0.00 -0.21 -0.07 -1.51 0.00 0.00 179.97 178.02 1ddx h LEU 3334N 0.00 0.21 0.31 3.80 3.38 -0.53 -1.97 115.31 120.51 1ddx h LEU 3334Ca 0.68 -0.73 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1ddx h LEU 3334Cb 2.77 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 43.45 1ddx h LEU 3334CO -0.01 0.91 -0.16 0.40 0.09 0.00 0.00 178.44 179.68 1ddx h ILE 3335N -0.48 0.67 -0.14 1.22 2.04 0.19 -1.06 117.51 119.95 1ddx h ILE 3335Ca -0.02 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.88 1ddx h ILE 3335Cb 0.93 0.67 -0.05 0.00 -0.74 0.00 0.00 36.82 37.63 1ddx h ILE 3335CO 0.04 0.00 -0.19 -0.07 0.00 0.00 0.00 178.15 177.93 1ddx h LEU 3336N -0.43 -0.59 -1.07 1.44 4.07 -0.57 0.25 115.31 118.41 1ddx h LEU 3336Ca -0.04 0.10 0.20 0.00 0.08 0.00 0.00 57.88 58.22 1ddx h LEU 3336Cb 0.34 0.27 -0.10 0.00 1.08 0.00 0.00 40.66 42.25 1ddx h LEU 3336CO 0.06 -0.24 0.61 0.40 -1.08 0.00 0.00 178.44 178.19 1ddx h ILE 3337N -0.24 0.68 0.81 1.22 2.04 -1.16 0.14 117.51 121.01 1ddx h ILE 3337Ca 0.10 -0.24 -0.04 0.00 1.00 0.00 0.00 64.86 65.68 1ddx h ILE 3337Cb 0.39 -0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.38 1ddx h ILE 3337CO -0.28 0.13 -0.45 1.23 0.00 0.00 0.00 178.15 178.78 1ddx h GLY 3338N 0.71 -1.27 -0.67 5.37 0.00 0.70 -1.58 103.07 106.32 1ddx h GLY 3338Ca 0.58 0.50 0.06 0.00 0.00 0.00 0.00 47.33 48.47 1ddx h GLY 3338CO -0.37 -0.44 -0.51 0.83 0.00 0.00 0.00 176.54 176.05 1ddx h GLU 3339N -1.16 -0.14 -0.31 4.80 5.08 0.10 -0.21 114.58 122.74 1ddx h GLU 3339Ca -0.11 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.29 1ddx h GLU 3339Cb 0.91 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.15 1ddx h GLU 3339CO 0.14 -0.09 -0.21 1.15 -1.00 0.00 0.00 179.01 179.00 1ddx h THR 3340N -0.15 0.00 -1.28 1.13 2.02 -0.70 0.87 112.91 114.80 1ddx h THR 3340Ca 0.11 0.00 0.38 0.00 0.77 0.00 0.00 66.41 67.67 1ddx h THR 3340Cb 0.43 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 66.75 1ddx h THR 3340CO -0.71 0.00 0.87 0.40 0.37 0.00 0.00 175.52 176.45 1ddx h ILE 3341N -0.04 0.30 0.18 3.11 1.08 -0.38 0.21 117.51 121.97 1ddx h ILE 3341Ca 0.05 -0.05 -0.01 0.00 -0.39 0.00 0.00 64.86 64.46 1ddx h ILE 3341Cb 0.17 0.14 0.00 0.00 -3.07 0.00 0.00 36.82 34.06 1ddx h ILE 3341CO -0.31 0.03 -0.09 0.50 -0.69 0.00 0.00 178.15 177.59 1ddx h LYS 3342N 0.14 -0.23 -1.06 2.37 1.63 0.22 -2.74 116.57 116.89 1ddx h LYS 3342Ca 0.70 0.02 0.30 0.00 -0.85 0.00 0.00 60.65 60.82 1ddx h LYS 3342Cb 2.33 0.05 -0.05 0.00 -0.60 0.00 0.00 32.23 33.96 1ddx h LYS 3342CO -0.23 -0.16 0.75 0.82 -3.45 0.00 0.00 179.45 177.19 1ddx h ILE 3343N -0.55 0.48 0.00 2.00 2.04 0.13 0.16 117.51 121.76 1ddx h ILE 3343Ca -0.02 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 65.81 1ddx h ILE 3343Cb 0.19 0.41 0.00 0.00 -0.74 0.00 0.00 36.82 36.68 1ddx h ILE 3343CO 0.04 0.01 0.00 0.52 0.00 0.00 0.00 178.15 178.72 1ddx n VAL 3344N -4.27 0.00 -0.23 1.67 0.31 0.65 -2.14 118.33 114.33 1ddx n VAL 3344Ca 0.23 0.78 -0.06 0.00 -0.01 0.00 0.00 64.34 65.27 1ddx n VAL 3344Cb 1.09 -1.68 -0.01 0.00 -0.91 0.00 0.00 33.84 32.33 1ddx n VAL 3344CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1ddx h ILE 3345N 0.00 0.11 0.00 2.52 2.04 -1.11 -0.09 117.51 120.99 1ddx h ILE 3345Ca 0.00 0.00 -0.14 0.00 1.00 0.00 0.00 64.86 65.72 1ddx h ILE 3345Cb 0.00 0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 36.17 1ddx h ILE 3345CO 0.00 0.00 -0.68 -0.33 0.00 0.00 0.00 178.15 177.14 1ddx h GLU 3346N -0.18 0.00 0.00 2.37 5.08 -0.87 -2.84 114.58 118.14 1ddx h GLU 3346Ca 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 1ddx h GLU 3346Cb 0.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1ddx h GLU 3346CO -0.72 0.68 0.00 -0.25 -1.00 0.00 0.00 179.01 177.72 1ddx n ASP 3347N -3.58 0.00 0.00 1.42 8.00 -0.91 -4.29 116.55 117.20 1ddx n ASP 3347Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1ddx n ASP 3347Cb 0.70 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.80 1ddx n ASP 3347CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ddx n TYR 3348N 0.00 0.00 -0.33 1.24 9.36 -1.04 0.25 117.16 126.65 1ddx n TYR 3348Ca 0.00 0.00 0.22 0.00 3.32 0.00 0.00 57.90 61.44 1ddx n TYR 3348Cb 0.00 0.00 0.43 0.00 -0.63 0.00 0.00 39.34 39.14 1ddx n TYR 3348CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 1ddx h VAL 3349N 0.00 0.10 0.10 2.97 2.07 -1.17 -0.93 116.25 119.38 1ddx h VAL 3349Ca 0.00 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.50 1ddx h VAL 3349Cb 0.00 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 29.76 1ddx h VAL 3349CO 0.00 0.01 -0.28 -0.61 0.02 0.00 0.00 177.57 176.72 1ddx h GLN 3350N 0.08 -0.40 -0.10 1.57 5.75 0.36 -1.82 115.11 120.56 1ddx h GLN 3350Ca 0.71 0.03 0.03 0.00 -0.15 0.00 0.00 58.65 59.27 1ddx h GLN 3350Cb 1.67 0.09 -0.06 0.00 1.07 0.00 0.00 27.48 30.25 1ddx h GLN 3350CO -0.78 -0.27 -0.51 1.25 -2.65 0.00 0.00 178.83 175.87 1ddx h HIS 3351N -0.42 -1.50 -1.01 3.99 2.76 -0.21 0.81 115.15 119.57 1ddx h HIS 3351Ca -0.01 0.05 0.29 0.00 -2.20 0.00 0.00 60.37 58.51 1ddx h HIS 3351Cb 0.41 0.67 -0.04 0.00 1.55 0.00 0.00 27.41 29.99 1ddx h HIS 3351CO -0.34 -0.54 1.12 1.25 -1.30 0.00 0.00 177.93 178.12 1ddx h LEU 3352N -0.59 0.00 0.00 0.26 5.85 -1.01 0.67 115.31 120.49 1ddx h LEU 3352Ca 0.04 0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.60 1ddx h LEU 3352Cb 0.68 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.68 1ddx h LEU 3352CO -0.41 0.00 -1.74 -1.54 -0.34 0.00 0.00 178.44 174.42 1ddx n SER 3353N -3.37 0.47 -1.46 1.25 3.41 0.21 -4.89 113.62 109.24 1ddx n SER 3353Ca 0.22 0.20 -0.18 0.00 -0.26 0.00 0.00 58.87 58.86 1ddx n SER 3353Cb 1.43 0.78 -0.08 0.00 -0.26 0.00 0.00 64.21 66.09 1ddx n SER 3353CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ddx n GLY 3354N 1.43 1.68 3.79 5.00 0.00 0.23 -4.93 105.19 112.39 1ddx n GLY 3354Ca -0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.58 1ddx n GLY 3354CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ddx s TYR 3355N -2.49 2.81 -0.14 1.61 2.02 -1.26 -4.67 117.35 115.24 1ddx s TYR 3355Ca 0.00 1.39 0.18 0.00 -0.37 0.00 0.00 57.07 58.27 1ddx s TYR 3355Cb 0.00 -3.01 -0.13 0.00 -0.40 0.00 0.00 41.96 38.43 1ddx s TYR 3355CO 0.00 -1.64 0.82 0.72 -1.57 0.00 0.00 175.55 173.89 1ddx n HIS 3356N -3.39 0.93 -2.21 2.71 8.25 0.31 -4.83 115.22 116.99 1ddx n HIS 3356Ca 0.08 0.31 -0.42 0.00 -0.26 0.00 0.00 57.72 57.43 1ddx n HIS 3356Cb 0.54 -1.06 -0.03 0.00 1.12 0.00 0.00 29.99 30.57 1ddx n HIS 3356CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 1ddx s PHE 3357N -2.99 3.26 -0.51 4.41 5.36 -1.26 -4.82 117.98 121.44 1ddx s PHE 3357Ca -0.03 1.07 -0.28 0.00 -0.96 0.00 0.00 56.93 56.73 1ddx s PHE 3357Cb 0.09 -3.64 0.03 0.00 -0.34 0.00 0.00 43.02 39.16 1ddx s PHE 3357CO 0.81 -2.13 1.13 0.15 -1.46 0.00 0.00 175.22 173.72 1ddx s LYS 3358N 0.69 3.63 0.27 10.12 1.02 -1.26 -4.98 119.74 129.22 1ddx s LYS 3358Ca 0.61 0.40 -0.31 0.00 0.02 0.00 0.00 55.97 56.69 1ddx s LYS 3358Cb -0.36 -3.95 -0.12 0.00 -0.52 0.00 0.00 37.83 32.88 1ddx s LYS 3358CO 0.33 -1.46 1.61 1.28 -0.92 0.00 0.00 175.35 176.18 1ddx n LEU 3359N 7.95 4.14 -4.37 3.17 4.77 -1.26 -4.98 117.00 126.41 1ddx n LEU 3359Ca 0.10 1.13 -0.31 0.00 -0.03 0.00 0.00 56.01 56.89 1ddx n LEU 3359Cb 0.49 -1.57 -0.15 0.00 -2.33 0.00 0.00 43.42 39.86 1ddx n LEU 3359CO 0.71 0.09 -0.53 -0.75 -1.33 0.00 0.00 177.39 175.58 1ddx s LYS 3360N -0.08 2.19 -0.40 3.23 2.20 -1.26 -4.55 119.74 121.06 1ddx s LYS 3360Ca 0.67 -0.89 -0.06 0.00 -0.36 0.00 0.00 55.97 55.33 1ddx s LYS 3360Cb -0.52 -2.14 0.08 0.00 -1.51 0.00 0.00 37.83 33.74 1ddx s LYS 3360CO 0.45 0.57 0.20 0.12 -0.36 0.00 0.00 175.35 176.33 1ddx s PHE 3361N -0.69 3.40 -0.28 4.03 5.36 -1.26 -4.95 117.98 123.58 1ddx s PHE 3361Ca 0.11 -1.84 0.00 0.00 -0.96 0.00 0.00 56.93 54.25 1ddx s PHE 3361Cb -0.10 -2.90 0.15 0.00 -0.34 0.00 0.00 43.02 39.83 1ddx s PHE 3361CO 0.00 -0.88 0.37 0.34 -1.46 0.00 0.00 175.22 173.59 1ddx s ASP 3362N 1.90 0.75 0.61 6.13 2.15 -1.26 -5.02 116.67 121.94 1ddx s ASP 3362Ca 0.03 -0.37 0.32 0.00 0.43 0.00 0.00 52.55 52.96 1ddx s ASP 3362Cb -0.22 0.92 1.89 0.00 -0.30 0.00 0.00 42.92 45.21 1ddx s ASP 3362CO -0.00 -0.35 2.22 -0.65 -0.17 0.00 0.00 175.17 176.22 1ddx h PRO 3363N 8.20 0.00 0.00 4.34 0.11 -1.95 -2.02 132.00 140.68 1ddx h PRO 3363Ca -0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.99 1ddx h PRO 3363Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1ddx h PRO 3363CO 0.29 0.00 0.01 0.39 -0.21 0.00 0.00 178.00 178.47 1ddx n GLU 3364N -3.64 0.00 0.06 1.05 1.02 -1.26 -0.15 120.64 117.73 1ddx n GLU 3364Ca -0.02 0.07 0.02 0.00 -0.02 0.00 0.00 57.16 57.21 1ddx n GLU 3364Cb 0.16 -1.51 -0.05 0.00 -0.02 0.00 0.00 31.44 30.02 1ddx n GLU 3364CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1ddx h LEU 3365N 0.00 0.00 -2.10 -4.62 3.38 -1.78 -3.33 115.31 106.86 1ddx h LEU 3365Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ddx h LEU 3365Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1ddx h LEU 3365CO 0.00 0.50 0.00 0.18 0.09 0.00 0.00 178.44 179.21 1ddx n LEU 3366N -2.93 3.19 -0.39 1.67 4.77 0.79 -4.51 117.00 119.59 1ddx n LEU 3366Ca -0.06 -1.24 0.00 0.00 -0.03 0.00 0.00 56.01 54.68 1ddx n LEU 3366Cb 0.79 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.75 1ddx n LEU 3366CO 0.42 0.62 0.13 0.49 -1.33 0.00 0.00 177.39 177.72 1ddx n PHE 3367N 1.39 0.00 -1.86 -1.77 0.99 -1.22 -0.57 117.46 114.41 1ddx n PHE 3367Ca 0.17 0.00 -0.01 0.00 -0.00 0.00 0.00 57.45 57.61 1ddx n PHE 3367Cb 0.60 -0.03 -0.01 0.00 -1.00 0.00 0.00 39.48 39.03 1ddx n PHE 3367CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.76 177.03 1ddx n ASN 3368N 0.12 -0.15 -4.25 4.37 6.94 -1.26 -5.10 115.26 115.94 1ddx n ASN 3368Ca 0.00 -1.00 -0.32 0.00 -0.02 0.00 0.00 54.58 53.24 1ddx n ASN 3368Cb 0.08 0.04 -0.16 0.00 -2.36 0.00 0.00 39.78 37.38 1ddx n ASN 3368CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 1ddx s GLN 3369N 0.00 3.12 -0.76 -3.83 -1.52 0.26 -5.02 119.66 111.91 1ddx s GLN 3369Ca 0.00 -0.84 -0.26 0.00 -1.95 0.00 0.00 55.36 52.32 1ddx s GLN 3369Cb 0.00 -2.38 -0.22 0.00 -0.22 0.00 0.00 33.01 30.19 1ddx s GLN 3369CO 0.00 0.18 1.89 1.04 -0.25 0.00 0.00 175.29 178.15 1ddx n GLN 3370N 3.54 0.78 -4.70 2.91 6.02 -1.26 -4.86 117.38 119.81 1ddx n GLN 3370Ca -0.19 -1.75 -0.33 0.00 -0.01 0.00 0.00 57.00 54.72 1ddx n GLN 3370Cb 0.53 -3.29 -0.13 0.00 1.02 0.00 0.00 30.24 28.37 1ddx n GLN 3370CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 1ddx s PHE 3371N 10.30 2.85 -0.81 1.08 5.36 -1.26 -5.03 117.98 130.46 1ddx s PHE 3371Ca 0.70 -0.39 -0.22 0.00 -0.96 0.00 0.00 56.93 56.06 1ddx s PHE 3371Cb 0.06 -1.81 0.08 0.00 -0.34 0.00 0.00 43.02 41.01 1ddx s PHE 3371CO 0.20 -0.02 1.13 -0.65 -1.46 0.00 0.00 175.22 174.42 1ddx s GLN 3372N -0.02 3.35 -0.43 10.12 -1.52 -1.26 -4.92 119.66 124.98 1ddx s GLN 3372Ca -0.02 -1.11 -0.21 0.00 -1.95 0.00 0.00 55.36 52.07 1ddx s GLN 3372Cb -0.14 -4.63 -0.21 0.00 -0.22 0.00 0.00 33.01 27.82 1ddx s GLN 3372CO 0.04 -1.91 1.73 0.66 -0.25 0.00 0.00 175.29 175.56 1ddx n TYR 3373N 7.73 0.95 -3.60 0.91 4.02 -1.26 -4.70 117.16 121.22 1ddx n TYR 3373Ca 0.12 -1.23 -0.09 0.00 -0.01 0.00 0.00 57.90 56.69 1ddx n TYR 3373Cb 0.48 -1.25 -0.02 0.00 -0.02 0.00 0.00 39.34 38.53 1ddx n TYR 3373CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 176.86 176.99 1ddx s GLN 3374N 5.51 1.38 -0.25 -0.72 -2.07 -0.80 -4.66 119.66 118.04 1ddx s GLN 3374Ca 0.53 -0.63 -0.26 0.00 -1.82 0.00 0.00 55.36 53.19 1ddx s GLN 3374Cb 0.13 0.55 0.08 0.00 -1.09 0.00 0.00 33.01 32.68 1ddx s GLN 3374CO 0.17 -0.62 0.75 1.21 -1.32 0.00 0.00 175.29 175.48 1ddx s ASN 3375N -2.79 -0.71 -0.07 12.60 2.47 -1.26 -4.69 114.94 120.49 1ddx s ASN 3375Ca 0.06 1.33 0.03 0.00 0.42 0.00 0.00 52.86 54.70 1ddx s ASN 3375Cb -0.03 1.34 0.01 0.00 -1.45 0.00 0.00 41.25 41.12 1ddx s ASN 3375CO -0.05 -0.27 -0.15 -0.60 -3.72 0.00 0.00 177.10 172.31 1ddx s ARG 3376N 0.23 2.00 -0.12 0.43 6.06 -1.26 -4.80 118.95 121.50 1ddx s ARG 3376Ca -0.01 -0.52 -0.30 0.00 -2.50 0.00 0.00 55.73 52.41 1ddx s ARG 3376Cb -0.05 -1.61 -0.01 0.00 0.06 0.00 0.00 34.95 33.35 1ddx s ARG 3376CO 0.01 0.07 1.04 0.42 -2.50 0.00 0.00 175.30 174.34 1ddx s ILE 3377N 0.58 4.70 0.33 4.11 1.09 -1.26 -4.80 121.20 125.95 1ddx s ILE 3377Ca -0.15 1.98 -0.18 0.00 -1.10 0.00 0.00 60.65 61.20 1ddx s ILE 3377Cb -0.16 -4.27 -0.09 0.00 -1.06 0.00 0.00 42.46 36.87 1ddx s ILE 3377CO 0.05 -0.02 0.80 0.00 -0.10 0.00 0.00 174.94 175.67 1ddx s ALA 3378N 2.22 3.26 0.09 9.38 0.00 -1.24 -0.81 121.76 134.67 1ddx s ALA 3378Ca 0.49 0.19 -0.27 0.00 0.00 0.00 0.00 51.96 52.37 1ddx s ALA 3378Cb -0.19 -2.90 -0.13 0.00 0.00 0.00 0.00 23.12 19.90 1ddx s ALA 3378CO 0.17 0.27 1.67 1.03 0.00 0.00 0.00 175.76 178.90 1ddx h SER 3379N 2.43 -0.47 -0.32 0.00 0.87 -0.78 -2.85 113.55 112.43 1ddx h SER 3379Ca -0.48 0.04 0.03 0.00 -1.23 0.00 0.00 61.79 60.15 1ddx h SER 3379Cb 1.18 0.16 -0.04 0.00 -0.44 0.00 0.00 62.40 63.25 1ddx h SER 3379CO 0.64 -0.28 -0.25 -0.33 -0.53 0.00 0.00 176.83 176.09 1ddx h GLU 3380N -0.41 -0.07 -1.31 2.24 3.07 -1.95 0.54 114.58 116.69 1ddx h GLU 3380Ca -0.01 0.00 0.41 0.00 -0.50 0.00 0.00 59.36 59.27 1ddx h GLU 3380Cb 0.37 0.02 -0.12 0.00 -0.84 0.00 0.00 28.75 28.18 1ddx h GLU 3380CO -0.02 -0.05 0.86 0.35 -1.40 0.00 0.00 179.01 178.75 1ddx h PHE 3381N -0.07 0.48 -0.03 4.33 3.57 -1.92 0.46 116.94 123.76 1ddx h PHE 3381Ca 0.05 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.57 1ddx h PHE 3381Cb 0.21 -0.12 -0.00 0.00 2.79 0.00 0.00 35.95 38.82 1ddx h PHE 3381CO -0.84 -0.14 -0.01 -0.97 -2.23 0.00 0.00 178.31 174.12 1ddx h ASN 3382N 0.12 0.06 0.86 0.41 -0.00 0.27 -2.94 115.58 114.36 1ddx h ASN 3382Ca 0.78 -0.38 -0.04 0.00 -0.00 0.00 0.00 56.30 56.65 1ddx h ASN 3382Cb 2.47 -0.02 0.00 0.00 -0.00 0.00 0.00 38.32 40.77 1ddx h ASN 3382CO -0.35 0.43 -0.45 0.74 -0.00 0.00 0.00 177.43 177.80 1ddx h THR 3383N -0.31 0.09 -1.44 -3.57 2.02 0.11 -1.47 112.91 108.35 1ddx h THR 3383Ca 0.01 0.00 0.42 0.00 0.77 0.00 0.00 66.41 67.60 1ddx h THR 3383Cb 0.40 0.09 -0.06 0.00 -1.74 0.00 0.00 68.15 66.85 1ddx h THR 3383CO 0.00 0.00 1.26 -0.07 0.37 0.00 0.00 175.52 177.08 1ddx h LEU 3384N -1.20 0.00 -0.71 2.58 3.38 -1.16 0.79 115.31 119.00 1ddx h LEU 3384Ca -0.12 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 1ddx h LEU 3384Cb 0.93 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.65 1ddx h LEU 3384CO 0.17 0.00 0.35 0.22 0.09 0.00 0.00 178.44 179.27 1ddx h TYR 3385N 0.00 1.01 -0.01 1.13 3.20 -1.07 -3.39 116.97 117.84 1ddx h TYR 3385Ca 0.68 -0.04 -0.09 0.00 3.14 0.00 0.00 58.73 62.42 1ddx h TYR 3385Cb 3.20 -0.31 0.02 0.00 1.54 0.00 0.00 36.73 41.18 1ddx h TYR 3385CO 0.00 0.74 0.73 0.72 -1.64 0.00 0.00 178.16 178.71 1ddx n HIS 3386N -4.44 0.09 -1.31 -3.82 -0.00 0.28 -4.63 115.22 101.38 1ddx n HIS 3386Ca 0.06 -0.09 -0.31 0.00 -0.00 0.00 0.00 57.72 57.37 1ddx n HIS 3386Cb 0.12 -0.70 0.06 0.00 -0.00 0.00 0.00 29.99 29.47 1ddx n HIS 3386CO 0.00 0.00 0.00 0.91 -0.00 0.00 0.00 176.34 177.25 1ddx n TRP 3387N 6.27 2.79 -0.25 4.41 8.01 -1.26 -4.79 117.44 132.62 1ddx n TRP 3387Ca 0.11 -2.69 0.01 0.00 -1.31 0.00 0.00 57.50 53.62 1ddx n TRP 3387Cb 0.37 -1.32 0.08 0.00 -2.01 0.00 0.00 31.31 28.43 1ddx n TRP 3387CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.69 177.13 1ddx h HIS 3388N 2.04 -0.39 -1.71 -5.99 3.86 -1.96 -1.70 115.15 109.30 1ddx h HIS 3388Ca 0.53 0.06 0.50 0.00 -1.16 0.00 0.00 60.37 60.30 1ddx h HIS 3388Cb 0.74 0.28 -0.07 0.00 1.06 0.00 0.00 27.41 29.42 1ddx h HIS 3388CO 1.28 -0.31 1.27 -2.30 0.86 0.00 0.00 177.93 178.73 1ddx n PRO 3389N -5.48 0.00 -0.31 2.45 -0.01 -1.26 0.13 135.00 130.53 1ddx n PRO 3389Ca 0.09 0.96 -0.03 0.00 -0.01 0.00 0.00 63.50 64.52 1ddx n PRO 3389Cb 0.37 -2.24 0.10 0.00 -0.01 0.00 0.00 33.50 31.71 1ddx n PRO 3389CO 0.00 0.00 0.00 -0.07 -0.01 0.00 0.00 175.50 175.42 1ddx h LEU 3390N 0.00 0.94 -9.30 2.45 3.38 -1.11 -3.05 115.31 108.63 1ddx h LEU 3390Ca 0.81 -0.01 -0.66 0.00 0.09 0.00 0.00 57.88 58.11 1ddx h LEU 3390Cb 3.34 -0.22 0.04 0.00 0.09 0.00 0.00 40.66 43.91 1ddx h LEU 3390CO -0.01 0.66 0.71 0.18 0.09 0.00 0.00 178.44 180.07 1ddx n LEU 3391N -4.53 2.36 0.00 1.67 4.77 0.35 -0.25 117.00 121.37 1ddx n LEU 3391Ca 0.10 1.08 -0.16 0.00 -0.03 0.00 0.00 56.01 57.00 1ddx n LEU 3391Cb 0.05 -1.26 0.12 0.00 -2.33 0.00 0.00 43.42 40.01 1ddx n LEU 3391CO 0.35 -0.61 0.39 -0.81 -1.33 0.00 0.00 177.39 175.38 1ddx n PRO 3392N 3.87 -1.42 -0.02 3.23 -0.04 -1.26 -4.49 135.00 134.88 1ddx n PRO 3392Ca 0.20 -1.00 0.03 0.00 -0.04 0.00 0.00 63.50 62.69 1ddx n PRO 3392Cb 0.21 -0.79 -0.13 0.00 -0.04 0.00 0.00 33.50 32.75 1ddx n PRO 3392CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1ddx n ASP 3393N -3.72 0.27 -4.12 3.54 9.92 -1.26 -4.95 116.55 116.23 1ddx n ASP 3393Ca 0.08 0.11 -0.11 0.00 -0.53 0.00 0.00 54.79 54.35 1ddx n ASP 3393Cb 0.31 1.18 -0.09 0.00 -0.64 0.00 0.00 41.12 41.88 1ddx n ASP 3393CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 1ddx s THR 3394N -3.09 0.03 -0.29 -3.53 -4.23 -1.26 -4.56 115.64 98.71 1ddx s THR 3394Ca -0.07 -1.79 0.03 0.00 -1.18 0.00 0.00 61.69 58.68 1ddx s THR 3394Cb 0.10 -2.27 0.08 0.00 1.34 0.00 0.00 72.50 71.75 1ddx s THR 3394CO 0.86 -0.12 -0.02 -0.36 -0.54 0.00 0.00 174.62 174.43 1ddx s PHE 3395N -4.09 3.25 -0.58 3.99 0.40 0.29 -4.81 117.98 116.44 1ddx s PHE 3395Ca 0.30 -2.49 -0.21 0.00 -0.60 0.00 0.00 56.93 53.93 1ddx s PHE 3395Cb 0.05 -2.28 0.07 0.00 0.51 0.00 0.00 43.02 41.37 1ddx s PHE 3395CO 0.08 -0.89 0.79 -0.80 0.70 0.00 0.00 175.22 175.10 1ddx s ASN 3396N 1.09 6.22 -0.41 1.36 0.02 -1.26 0.23 114.94 122.20 1ddx s ASN 3396Ca 0.01 -0.96 -0.11 0.00 -1.02 0.00 0.00 52.86 50.78 1ddx s ASN 3396Cb -0.19 -2.35 0.05 0.00 0.02 0.00 0.00 41.25 38.77 1ddx s ASN 3396CO -0.08 -1.16 0.26 -0.63 0.02 0.00 0.00 177.10 175.51 1ddx s ILE 3397N 3.28 4.57 0.00 0.60 -1.09 -1.11 -4.61 121.20 122.84 1ddx s ILE 3397Ca 0.19 -1.08 0.00 0.00 -2.23 0.00 0.00 60.65 57.53 1ddx s ILE 3397Cb -0.19 -3.66 0.00 0.00 -1.58 0.00 0.00 42.46 37.03 1ddx s ILE 3397CO 0.11 -0.38 0.00 1.21 -1.23 0.00 0.00 174.94 174.65 1ddx n GLU 3398N 5.00 0.00 0.00 2.79 2.13 -1.26 -2.87 120.64 126.43 1ddx n GLU 3398Ca -0.11 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.71 1ddx n GLU 3398Cb 0.45 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.16 1ddx n GLU 3398CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1ddx n ASP 3399N 5.33 0.00 -2.66 4.31 8.00 -1.26 -4.87 116.55 125.40 1ddx n ASP 3399Ca 0.00 0.87 -0.25 0.00 0.71 0.00 0.00 54.79 56.12 1ddx n ASP 3399Cb 0.00 -0.45 0.02 0.00 -0.02 0.00 0.00 41.12 40.67 1ddx n ASP 3399CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ddx n GLN 3400N -1.85 0.00 -3.74 -1.24 1.13 -1.14 -4.99 117.38 105.55 1ddx n GLN 3400Ca 0.00 0.00 -0.12 0.00 -1.94 0.00 0.00 57.00 54.94 1ddx n GLN 3400Cb 0.00 -0.67 -0.12 0.00 0.11 0.00 0.00 30.24 29.56 1ddx n GLN 3400CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 1ddx s GLU 3401N -1.33 0.27 0.27 -1.09 2.02 -1.26 -2.74 118.70 114.84 1ddx s GLU 3401Ca 0.25 0.53 0.10 0.00 0.02 0.00 0.00 54.97 55.86 1ddx s GLU 3401Cb -0.00 -0.02 -0.05 0.00 0.10 0.00 0.00 34.13 34.16 1ddx s GLU 3401CO 0.48 -0.12 -0.15 0.71 0.02 0.00 0.00 175.26 176.20 1ddx s TYR 3402N 0.94 2.08 0.28 1.61 2.02 0.13 -4.82 117.35 119.60 1ddx s TYR 3402Ca -0.06 -0.48 0.07 0.00 -0.37 0.00 0.00 57.07 56.23 1ddx s TYR 3402Cb -0.07 -1.01 -0.03 0.00 -0.40 0.00 0.00 41.96 40.44 1ddx s TYR 3402CO -0.06 0.53 0.20 -1.54 -1.57 0.00 0.00 175.55 173.10 1ddx s SER 3403N -3.46 5.35 0.14 2.29 1.04 -1.26 0.11 113.70 117.91 1ddx s SER 3403Ca 0.28 -0.36 -0.21 0.00 0.48 0.00 0.00 55.95 56.14 1ddx s SER 3403Cb -0.01 -1.23 0.01 0.00 0.10 0.00 0.00 66.02 64.88 1ddx s SER 3403CO 0.12 -0.12 1.67 -0.26 0.98 0.00 0.00 173.24 175.64 1ddx h PHE 3404N 1.47 -0.35 -1.12 5.02 -1.00 -1.96 0.63 116.94 119.63 1ddx h PHE 3404Ca -0.47 0.03 0.32 0.00 2.81 0.00 0.00 57.97 60.65 1ddx h PHE 3404Cb 1.24 0.19 -0.06 0.00 3.61 0.00 0.00 35.95 40.93 1ddx h PHE 3404CO 0.56 -0.21 0.78 0.87 -1.61 0.00 0.00 178.31 178.71 1ddx h LYS 3405N -0.14 0.11 0.00 1.51 6.56 -1.95 -1.36 116.57 121.30 1ddx h LYS 3405Ca 0.12 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.70 1ddx h LYS 3405Cb 0.31 -0.03 0.00 0.00 -0.57 0.00 0.00 32.23 31.95 1ddx h LYS 3405CO -0.29 0.07 -0.00 1.96 -2.06 0.00 0.00 179.45 179.13 1ddx h GLN 3406N 0.12 0.00 -0.94 3.15 4.20 -0.40 -3.40 115.11 117.83 1ddx h GLN 3406Ca 0.57 0.00 0.10 0.00 0.06 0.00 0.00 58.65 59.38 1ddx h GLN 3406Cb 2.00 0.00 -0.12 0.00 0.30 0.00 0.00 27.48 29.66 1ddx h GLN 3406CO -0.10 0.00 -0.51 0.34 -0.67 0.00 0.00 178.83 177.89 1ddx n PHE 3407N -2.29 -0.30 -1.39 2.96 7.35 0.16 -4.46 117.46 119.48 1ddx n PHE 3407Ca -0.00 1.17 -0.54 0.00 -0.76 0.00 0.00 57.45 57.32 1ddx n PHE 3407Cb 0.00 -0.65 -0.08 0.00 0.35 0.00 0.00 39.48 39.11 1ddx n PHE 3407CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 1ddx n LEU 3408N -5.24 0.45 -1.42 -2.13 4.77 -0.54 -0.49 117.00 112.41 1ddx n LEU 3408Ca 0.04 1.02 -0.13 0.00 -0.03 0.00 0.00 56.01 56.91 1ddx n LEU 3408Cb 0.28 -0.78 -0.05 0.00 -2.33 0.00 0.00 43.42 40.54 1ddx n LEU 3408CO -0.14 -1.25 -0.12 -1.22 -1.33 0.00 0.00 177.39 173.33 1ddx n TYR 3409N 2.25 -0.44 -3.02 -1.77 0.53 -0.66 -4.87 117.16 109.18 1ddx n TYR 3409Ca 0.21 0.00 -0.36 0.00 -1.02 0.00 0.00 57.90 56.73 1ddx n TYR 3409Cb 0.02 -2.53 -0.02 0.00 -1.03 0.00 0.00 39.34 35.78 1ddx n TYR 3409CO 0.00 0.00 0.00 -1.71 -1.02 0.00 0.00 176.86 174.13 1ddx n ASN 3410N -0.51 5.71 0.09 7.72 2.85 0.36 -4.74 115.26 126.75 1ddx n ASN 3410Ca -0.13 -3.52 0.09 0.00 -0.11 0.00 0.00 54.58 50.91 1ddx n ASN 3410Cb 0.43 -1.00 0.41 0.00 1.24 0.00 0.00 39.78 40.86 1ddx n ASN 3410CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 1ddx n ASN 3411N 0.67 0.42 -0.07 1.20 5.03 -1.26 -0.48 115.26 120.77 1ddx n ASN 3411Ca 0.32 0.63 0.14 0.00 0.87 0.00 0.00 54.58 56.55 1ddx n ASN 3411Cb 0.34 -0.71 0.54 0.00 -1.02 0.00 0.00 39.78 38.93 1ddx n ASN 3411CO 0.00 0.00 0.00 -1.28 -1.83 0.00 0.00 177.26 174.15 1ddx h SER 3412N 0.00 0.29 0.43 6.41 0.87 -1.95 0.36 113.55 119.96 1ddx h SER 3412Ca 0.00 0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.55 1ddx h SER 3412Cb 0.20 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.10 1ddx h SER 3412CO 0.00 0.17 -0.34 0.40 -0.53 0.00 0.00 176.83 176.53 1ddx h ILE 3413N 0.32 0.00 -0.82 2.23 2.04 -1.17 0.19 117.51 120.31 1ddx h ILE 3413Ca 0.28 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.25 1ddx h ILE 3413Cb 0.66 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.60 1ddx h ILE 3413CO -0.07 0.00 -0.43 0.25 0.00 0.00 0.00 178.15 177.90 1ddx h LEU 3414N -0.74 -1.55 -0.68 1.44 5.85 -1.12 0.15 115.31 118.67 1ddx h LEU 3414Ca -0.06 0.28 0.08 0.00 0.84 0.00 0.00 57.88 59.03 1ddx h LEU 3414Cb 0.62 0.75 -0.06 0.00 0.37 0.00 0.00 40.66 42.33 1ddx h LEU 3414CO 0.01 -0.30 0.35 -0.07 -0.34 0.00 0.00 178.44 178.09 1ddx h LEU 3415N -0.09 0.47 0.40 2.25 3.38 -0.98 -0.08 115.31 120.66 1ddx h LEU 3415Ca 0.25 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.26 1ddx h LEU 3415Cb 0.55 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 1ddx h LEU 3415CO -0.85 0.29 -0.40 -0.08 0.09 0.00 0.00 178.44 177.48 1ddx h GLU 3416N 0.61 -0.80 0.25 1.13 4.81 0.22 -3.32 114.58 117.49 1ddx h GLU 3416Ca 0.32 0.05 -0.34 0.00 -0.13 0.00 0.00 59.36 59.26 1ddx h GLU 3416Cb 0.29 0.18 0.04 0.00 0.63 0.00 0.00 28.75 29.89 1ddx h GLU 3416CO -0.23 -0.53 -1.52 0.45 -0.73 0.00 0.00 179.01 176.44 1ddx h HIS 3417N -0.83 0.96 0.00 0.92 3.86 -1.30 -3.51 115.15 115.25 1ddx h HIS 3417Ca -0.03 -0.70 0.00 0.00 -1.16 0.00 0.00 60.37 58.48 1ddx h HIS 3417Cb 0.74 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 29.17 1ddx h HIS 3417CO -0.22 1.58 0.00 0.41 0.86 0.00 0.00 177.93 180.56 1ddx n GLY 3418N 1.74 2.54 0.07 2.45 0.00 -0.05 -4.55 105.19 107.39 1ddx n GLY 3418Ca -0.18 -1.79 -0.11 0.00 0.00 0.00 0.00 46.02 43.94 1ddx n GLY 3418CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ddx h LEU 3419N 0.00 0.02 -0.46 0.99 -0.00 -1.93 -2.31 115.31 111.62 1ddx h LEU 3419Ca 0.00 0.01 0.09 0.00 -0.00 0.00 0.00 57.88 57.99 1ddx h LEU 3419Cb 0.00 0.01 -0.10 0.00 -0.00 0.00 0.00 40.66 40.58 1ddx h LEU 3419CO 0.00 0.02 -0.21 0.74 -0.00 0.00 0.00 178.44 179.00 1ddx h THR 3420N 0.06 0.38 0.60 0.22 2.02 -1.89 0.19 112.91 114.48 1ddx h THR 3420Ca 0.04 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.19 1ddx h THR 3420Cb 0.03 0.38 0.01 0.00 -1.74 0.00 0.00 68.15 66.82 1ddx h THR 3420CO -0.05 0.00 -0.29 1.56 0.37 0.00 0.00 175.52 177.11 1ddx h GLN 3421N -0.11 -0.78 -0.57 6.66 1.08 -1.78 -2.08 115.11 117.53 1ddx h GLN 3421Ca 0.22 0.05 0.12 0.00 -1.45 0.00 0.00 58.65 57.59 1ddx h GLN 3421Cb 0.45 0.18 -0.11 0.00 -0.05 0.00 0.00 27.48 27.95 1ddx h GLN 3421CO -0.53 -0.52 -0.13 1.19 -0.95 0.00 0.00 178.83 177.89 1ddx n PHE 3422N -4.19 0.22 0.00 2.96 3.01 -0.87 -0.12 117.46 118.46 1ddx n PHE 3422Ca -0.10 0.70 0.00 0.00 1.01 0.00 0.00 57.45 59.06 1ddx n PHE 3422Cb 0.32 -0.84 0.00 0.00 -0.01 0.00 0.00 39.48 38.95 1ddx n PHE 3422CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1ddx n VAL 3423N -4.92 0.00 -0.24 -4.37 0.31 0.60 -0.21 118.33 109.50 1ddx n VAL 3423Ca 0.09 1.16 -0.06 0.00 -0.01 0.00 0.00 64.34 65.52 1ddx n VAL 3423Cb 0.30 -2.04 -0.06 0.00 -0.91 0.00 0.00 33.84 31.13 1ddx n VAL 3423CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1ddx n GLU 3424N -1.12 -0.26 -0.05 5.55 1.02 0.76 0.98 120.64 127.52 1ddx n GLU 3424Ca 0.00 1.04 -0.06 0.00 -0.02 0.00 0.00 57.16 58.12 1ddx n GLU 3424Cb 0.00 -1.54 -0.04 0.00 -0.02 0.00 0.00 31.44 29.84 1ddx n GLU 3424CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 1ddx h SER 3425N 0.00 -0.79 -0.07 1.62 0.02 -0.51 0.54 113.55 114.36 1ddx h SER 3425Ca 0.09 0.10 0.02 0.00 -0.84 0.00 0.00 61.79 61.17 1ddx h SER 3425Cb 0.24 0.32 -0.00 0.00 0.14 0.00 0.00 62.40 63.10 1ddx h SER 3425CO -0.55 -0.18 0.11 -0.26 -1.14 0.00 0.00 176.83 174.81 1ddx h PHE 3426N -0.18 0.00 0.00 3.45 0.04 0.13 -0.02 116.94 120.35 1ddx h PHE 3426Ca 0.03 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.80 1ddx h PHE 3426Cb 0.26 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.41 1ddx h PHE 3426CO -0.63 0.00 0.00 2.41 -0.60 0.00 0.00 178.31 179.49 1ddx n THR 3427N -3.60 1.23 0.00 -1.55 -1.04 0.27 -1.42 114.28 108.17 1ddx n THR 3427Ca -0.01 0.31 0.00 0.00 -2.04 0.00 0.00 64.05 62.31 1ddx n THR 3427Cb 0.20 -1.12 0.00 0.00 -1.82 0.00 0.00 70.33 67.60 1ddx n THR 3427CO 0.00 0.00 0.00 -2.11 -0.64 0.00 0.00 175.07 172.32 1ddx n ARG 3428N -1.50 0.00 -1.37 -2.82 1.85 -0.06 -4.30 116.66 108.47 1ddx n ARG 3428Ca 0.03 0.00 -0.10 0.00 -1.00 0.00 0.00 57.85 56.77 1ddx n ARG 3428Cb 0.13 -0.90 -0.09 0.00 -1.05 0.00 0.00 32.46 30.55 1ddx n ARG 3428CO 0.00 0.00 0.00 0.94 -0.01 0.00 0.00 177.63 178.56 1ddx n GLN 3429N -2.46 0.12 -1.22 2.89 7.27 -0.95 -4.75 117.38 118.28 1ddx n GLN 3429Ca 0.00 -0.72 -0.39 0.00 0.07 0.00 0.00 57.00 55.96 1ddx n GLN 3429Cb 0.45 -2.44 -0.00 0.00 2.41 0.00 0.00 30.24 30.66 1ddx n GLN 3429CO 0.00 0.00 0.00 1.51 0.07 0.00 0.00 177.06 178.64 1ddx n ILE 3430N 6.93 0.50 -4.07 1.69 0.13 -1.26 -2.51 119.36 120.76 1ddx n ILE 3430Ca 0.32 -0.47 -0.28 0.00 -1.10 0.00 0.00 62.75 61.22 1ddx n ILE 3430Cb 0.42 0.00 -0.06 0.00 -0.84 0.00 0.00 39.64 39.16 1ddx n ILE 3430CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1ddx s ALA 3431N -1.64 3.55 0.30 1.51 0.00 0.35 -4.75 121.76 121.07 1ddx s ALA 3431Ca 0.56 -1.13 -0.29 0.00 0.00 0.00 0.00 51.96 51.10 1ddx s ALA 3431Cb -0.58 -1.38 -0.10 0.00 0.00 0.00 0.00 23.12 21.06 1ddx s ALA 3431CO 0.60 0.62 1.32 0.20 0.00 0.00 0.00 175.76 178.50 1ddx s GLY 3432N -2.75 2.83 0.98 0.00 0.00 0.65 -0.76 107.32 108.26 1ddx s GLY 3432Ca 0.30 1.24 -0.11 0.00 0.00 0.00 0.00 44.72 46.15 1ddx s GLY 3432CO 0.22 1.98 0.92 -2.13 0.00 0.00 0.00 173.10 174.09 1ddx n ARG 3433N 1.28 -0.82 0.00 2.90 0.63 0.53 -2.74 116.66 118.43 1ddx n ARG 3433Ca 0.02 -0.19 0.00 0.00 -0.92 0.00 0.00 57.85 56.76 1ddx n ARG 3433Cb 0.42 -2.21 0.00 0.00 0.45 0.00 0.00 32.46 31.12 1ddx n ARG 3433CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 1ddx n VAL 3434N -4.26 0.00 0.04 5.15 0.31 -1.18 -4.30 118.33 114.09 1ddx n VAL 3434Ca 0.09 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.38 1ddx n VAL 3434Cb 0.53 -0.79 -0.09 0.00 -0.91 0.00 0.00 33.84 32.58 1ddx n VAL 3434CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ddx h ALA 3435N 0.00 0.62 -0.83 3.52 0.00 -1.17 -3.40 119.26 118.00 1ddx h ALA 3435Ca 0.00 -0.97 0.13 0.00 0.00 0.00 0.00 54.91 54.07 1ddx h ALA 3435Cb 0.82 0.17 -0.14 0.00 0.00 0.00 0.00 17.79 18.64 1ddx h ALA 3435CO 0.00 1.13 -0.40 0.78 0.00 0.00 0.00 179.25 180.76 1ddx h GLY 3436N 3.45 -0.14 0.00 0.00 0.00 -1.71 -3.16 103.07 101.51 1ddx h GLY 3436Ca -0.13 0.53 0.00 0.00 0.00 0.00 0.00 47.33 47.73 1ddx h GLY 3436CO 0.08 -0.17 0.00 0.61 0.00 0.00 0.00 176.54 177.05 1ddx n GLY 3437N -1.43 4.23 3.57 4.60 0.00 -1.10 -4.76 105.19 110.29 1ddx n GLY 3437Ca 0.07 -1.53 -0.14 0.00 0.00 0.00 0.00 46.02 44.42 1ddx n GLY 3437CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ddx n ARG 3438N -1.78 -0.69 -1.47 1.61 1.74 0.11 -4.83 116.66 111.35 1ddx n ARG 3438Ca 0.00 -0.15 0.03 0.00 -0.77 0.00 0.00 57.85 56.96 1ddx n ARG 3438Cb 0.00 -0.37 0.07 0.00 -1.02 0.00 0.00 32.46 31.13 1ddx n ARG 3438CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1ddx n ASN 3439N -0.25 1.41 -4.50 0.55 5.15 0.28 -3.46 115.26 114.44 1ddx n ASN 3439Ca -0.06 -2.53 -0.42 0.00 -0.60 0.00 0.00 54.58 50.97 1ddx n ASN 3439Cb 0.21 -0.38 -0.09 0.00 -0.53 0.00 0.00 39.78 38.99 1ddx n ASN 3439CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1ddx s VAL 3440N -1.41 5.17 0.37 3.44 1.01 -0.39 -3.99 120.40 124.60 1ddx s VAL 3440Ca 0.35 -0.31 -0.22 0.00 0.00 0.00 0.00 61.98 61.80 1ddx s VAL 3440Cb 0.38 -3.92 -0.16 0.00 0.00 0.00 0.00 36.38 32.68 1ddx s VAL 3440CO -0.12 -0.27 0.15 -2.65 0.00 0.00 0.00 175.10 172.21 1ddx n PRO 3441N 5.38 0.00 0.13 2.72 -0.02 -1.26 -0.56 135.00 141.39 1ddx n PRO 3441Ca -0.09 0.00 -0.00 0.00 -2.02 0.00 0.00 63.50 61.38 1ddx n PRO 3441Cb 0.48 -0.99 0.11 0.00 -0.02 0.00 0.00 33.50 33.08 1ddx n PRO 3441CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1ddx h ILE 3442N 0.42 1.27 -0.60 4.25 5.03 -1.97 -2.90 117.51 123.01 1ddx h ILE 3442Ca -0.35 -2.34 -0.02 0.00 -0.12 0.00 0.00 64.86 62.03 1ddx h ILE 3442Cb 1.43 2.33 -0.03 0.00 -3.03 0.00 0.00 36.82 37.52 1ddx h ILE 3442CO 0.48 0.62 0.28 0.00 -0.68 0.00 0.00 178.15 178.85 1ddx h ALA 3443N 1.36 0.78 0.00 1.87 0.00 -1.99 -0.53 119.26 120.75 1ddx h ALA 3443Ca -0.01 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1ddx h ALA 3443Cb 1.28 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1ddx h ALA 3443CO 0.08 0.35 0.00 0.28 0.00 0.00 0.00 179.25 179.97 1ddx n VAL 3444N -4.51 0.44 0.00 0.00 0.31 -1.11 -4.25 118.33 109.21 1ddx n VAL 3444Ca 0.04 0.11 0.00 0.00 -0.01 0.00 0.00 64.34 64.48 1ddx n VAL 3444Cb 0.13 -0.86 0.00 0.00 -0.91 0.00 0.00 33.84 32.20 1ddx n VAL 3444CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 1ddx n GLN 3445N -1.22 0.00 -0.33 5.55 7.27 -0.21 -1.37 117.38 127.08 1ddx n GLN 3445Ca 0.08 0.48 -0.05 0.00 0.07 0.00 0.00 57.00 57.58 1ddx n GLN 3445Cb 0.10 -0.79 -0.03 0.00 2.41 0.00 0.00 30.24 31.93 1ddx n GLN 3445CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1ddx n ALA 3446N -1.83 -0.34 -0.43 1.69 0.00 -1.26 -2.12 120.51 116.22 1ddx n ALA 3446Ca 0.00 0.75 0.00 0.00 0.00 0.00 0.00 53.44 54.19 1ddx n ALA 3446Cb 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 19.45 19.23 1ddx n ALA 3446CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1ddx n VAL 3447N -5.10 0.00 -0.42 0.00 0.31 -0.47 -1.47 118.33 111.19 1ddx n VAL 3447Ca 0.05 1.29 0.37 0.00 -0.01 0.00 0.00 64.34 66.03 1ddx n VAL 3447Cb 0.26 -2.01 0.64 0.00 -0.91 0.00 0.00 33.84 31.82 1ddx n VAL 3447CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ddx h ALA 3448N -1.69 2.58 0.28 3.52 0.00 -1.16 0.92 119.26 123.72 1ddx h ALA 3448Ca 0.00 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1ddx h ALA 3448Cb 0.00 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1ddx h ALA 3448CO 0.00 -1.29 -0.13 -0.22 0.00 0.00 0.00 179.25 177.60 1ddx h LYS 3449N 0.03 -0.36 -0.17 0.00 3.64 -0.88 -2.74 116.57 116.10 1ddx h LYS 3449Ca 0.86 0.02 0.03 0.00 -1.27 0.00 0.00 60.65 60.30 1ddx h LYS 3449Cb 2.57 0.08 -0.07 0.00 -0.41 0.00 0.00 32.23 34.40 1ddx h LYS 3449CO -0.56 -0.13 -0.53 0.00 -2.27 0.00 0.00 179.45 175.96 1ddx h ALA 3450N 0.14 -0.85 -1.13 5.00 0.00 0.19 0.56 119.26 123.17 1ddx h ALA 3450Ca -0.04 -0.05 0.37 0.00 0.00 0.00 0.00 54.91 55.19 1ddx h ALA 3450Cb 0.39 1.00 -0.09 0.00 0.00 0.00 0.00 17.79 19.10 1ddx h ALA 3450CO 0.06 -1.07 0.76 0.43 0.00 0.00 0.00 179.25 179.44 1ddx n SER 3451N -5.43 0.10 -0.07 0.00 7.64 0.18 0.92 113.62 116.95 1ddx n SER 3451Ca -0.06 0.91 -0.09 0.00 1.01 0.00 0.00 58.87 60.64 1ddx n SER 3451Cb 0.37 -0.45 -0.05 0.00 -1.01 0.00 0.00 64.21 63.08 1ddx n SER 3451CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1ddx h ILE 3452N 0.00 0.49 -0.78 0.44 2.04 0.25 -3.31 117.51 116.64 1ddx h ILE 3452Ca 0.65 -1.48 0.13 0.00 1.00 0.00 0.00 64.86 65.16 1ddx h ILE 3452Cb 2.27 1.03 -0.14 0.00 -0.74 0.00 0.00 36.82 39.24 1ddx h ILE 3452CO -0.23 0.17 -0.33 0.44 0.00 0.00 0.00 178.15 178.19 1ddx h ASP 3453N -1.00 -1.20 0.00 1.72 3.45 0.35 -2.68 116.42 117.06 1ddx h ASP 3453Ca -0.08 0.26 0.00 0.00 0.43 0.00 0.00 57.03 57.64 1ddx h ASP 3453Cb 0.63 0.63 0.00 0.00 -0.56 0.00 0.00 39.33 40.04 1ddx h ASP 3453CO -0.05 -0.29 0.00 0.00 -1.57 0.00 0.00 179.24 177.33 1ddx n GLN 3454N -5.47 0.00 -0.50 3.56 6.02 0.10 -1.57 117.38 119.53 1ddx n GLN 3454Ca 0.08 0.58 0.40 0.00 -0.01 0.00 0.00 57.00 58.05 1ddx n GLN 3454Cb 0.38 -1.28 0.66 0.00 1.02 0.00 0.00 30.24 31.02 1ddx n GLN 3454CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1ddx n SER 3455N -1.81 0.13 0.07 1.08 3.41 -1.13 0.27 113.62 115.63 1ddx n SER 3455Ca 0.00 1.14 -0.13 0.00 -0.26 0.00 0.00 58.87 59.62 1ddx n SER 3455Cb 0.00 -0.56 -0.09 0.00 -0.26 0.00 0.00 64.21 63.30 1ddx n SER 3455CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1ddx h ARG 3456N 0.00 -0.18 -0.06 4.33 3.08 -0.95 0.34 114.38 120.94 1ddx h ARG 3456Ca 0.82 0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.92 1ddx h ARG 3456Cb 2.84 0.04 -0.05 0.00 0.08 0.00 0.00 29.97 32.88 1ddx h ARG 3456CO -0.29 0.14 -0.26 0.93 -1.07 0.00 0.00 179.97 179.42 1ddx h GLU 3457N -0.51 -0.35 -1.18 0.04 5.08 0.47 0.27 114.58 118.40 1ddx h GLU 3457Ca -0.02 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1ddx h GLU 3457Cb 0.40 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1ddx h GLU 3457CO 0.03 -0.24 0.00 -1.33 -1.00 0.00 0.00 179.01 176.48 1ddx n MET 3458N -5.38 0.36 -3.19 2.33 2.81 -0.11 -4.76 117.12 109.18 1ddx n MET 3458Ca -0.04 0.00 -0.15 0.00 -1.81 0.00 0.00 57.70 55.70 1ddx n MET 3458Cb 0.29 -1.27 -0.04 0.00 -0.71 0.00 0.00 33.22 31.49 1ddx n MET 3458CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1ddx n LYS 3459N 0.64 -0.95 -0.75 0.03 4.76 0.95 -4.75 118.16 118.10 1ddx n LYS 3459Ca 0.00 0.05 -0.32 0.00 -2.87 0.00 0.00 58.31 55.16 1ddx n LYS 3459Cb 0.15 -1.70 0.14 0.00 -1.84 0.00 0.00 35.03 31.77 1ddx n LYS 3459CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1ddx n TYR 3460N -2.46 -1.06 -2.60 2.13 4.02 0.12 -2.87 117.16 114.45 1ddx n TYR 3460Ca -0.10 0.24 -0.21 0.00 -0.01 0.00 0.00 57.90 57.82 1ddx n TYR 3460Cb 0.28 -1.79 0.11 0.00 -0.02 0.00 0.00 39.34 37.92 1ddx n TYR 3460CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 1ddx n GLN 3461N -2.29 -0.04 -2.05 -0.72 6.02 -1.26 -4.82 117.38 112.22 1ddx n GLN 3461Ca 0.07 -2.53 -0.35 0.00 -0.01 0.00 0.00 57.00 54.18 1ddx n GLN 3461Cb 0.54 -0.60 0.02 0.00 1.02 0.00 0.00 30.24 31.22 1ddx n GLN 3461CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1ddx s SER 3462N -4.76 5.37 0.46 1.08 0.15 -1.26 -4.52 113.70 110.22 1ddx s SER 3462Ca 0.61 2.22 0.17 0.00 0.70 0.00 0.00 55.95 59.65 1ddx s SER 3462Cb -0.04 -2.58 1.08 0.00 -1.71 0.00 0.00 66.02 62.78 1ddx s SER 3462CO 0.41 -1.46 2.00 0.25 1.20 0.00 0.00 173.24 175.63 1ddx h LEU 3463N 0.82 0.00 -0.67 3.45 5.85 -1.33 -0.50 115.31 122.92 1ddx h LEU 3463Ca -0.49 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.08 1ddx h LEU 3463Cb 1.27 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.28 1ddx h LEU 3463CO 0.55 0.18 -0.65 0.78 -0.34 0.00 0.00 178.44 178.97 1ddx h ASN 3464N 0.00 0.08 0.70 1.25 -0.26 -1.79 0.17 115.58 115.72 1ddx h ASN 3464Ca -0.00 -0.05 -0.03 0.00 -0.56 0.00 0.00 56.30 55.66 1ddx h ASN 3464Cb 0.35 -0.02 0.01 0.00 -1.06 0.00 0.00 38.32 37.60 1ddx h ASN 3464CO 0.02 0.70 -0.33 -0.33 -1.06 0.00 0.00 177.43 176.43 1ddx h GLU 3465N 0.05 -0.90 0.00 0.81 4.39 -1.48 0.33 114.58 117.78 1ddx h GLU 3465Ca -0.01 0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.75 1ddx h GLU 3465Cb 1.15 0.20 0.00 0.00 -0.10 0.00 0.00 28.75 30.01 1ddx h GLU 3465CO 0.09 -0.60 0.12 1.88 -1.16 0.00 0.00 179.01 179.34 1ddx h TYR 3466N -1.19 0.00 0.02 4.33 0.05 -1.23 0.51 116.97 119.46 1ddx h TYR 3466Ca -0.10 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.68 1ddx h TYR 3466Cb 0.72 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.46 1ddx h TYR 3466CO 0.01 0.00 -0.01 0.00 -1.05 0.00 0.00 178.16 177.11 1ddx h ARG 3467N 0.00 -0.03 -0.45 4.88 3.08 -0.57 -3.18 114.38 118.11 1ddx h ARG 3467Ca 0.00 0.00 0.09 0.00 0.07 0.00 0.00 59.98 60.14 1ddx h ARG 3467Cb 0.25 0.01 -0.08 0.00 0.08 0.00 0.00 29.97 30.22 1ddx h ARG 3467CO 0.00 0.43 -0.08 0.87 -1.07 0.00 0.00 179.97 180.12 1ddx h LYS 3468N -0.99 0.03 -0.95 0.04 1.57 0.11 -0.09 116.57 116.30 1ddx h LYS 3468Ca -0.00 -0.00 0.09 0.00 -1.87 0.00 0.00 60.65 58.86 1ddx h LYS 3468Cb 0.47 -0.01 -0.11 0.00 0.08 0.00 0.00 32.23 32.66 1ddx h LYS 3468CO 0.01 0.02 -0.56 -0.09 -0.57 0.00 0.00 179.45 178.25 1ddx h ARG 3469N 0.03 -0.00 -1.68 3.15 9.65 -0.15 0.54 114.38 125.91 1ddx h ARG 3469Ca 0.22 0.00 -0.14 0.00 -1.10 0.00 0.00 59.98 58.96 1ddx h ARG 3469Cb 0.33 0.00 -0.06 0.00 -1.39 0.00 0.00 29.97 28.85 1ddx h ARG 3469CO -0.44 -0.00 0.19 1.19 2.80 0.00 0.00 179.97 183.70 1ddx n PHE 3470N -5.15 0.70 -4.01 2.20 0.99 -0.84 -4.80 117.46 106.56 1ddx n PHE 3470Ca 0.02 -1.36 -0.30 0.00 -0.00 0.00 0.00 57.45 55.81 1ddx n PHE 3470Cb 0.25 -0.67 -0.03 0.00 -1.00 0.00 0.00 39.48 38.03 1ddx n PHE 3470CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.76 175.63 1ddx n SER 3471N 0.87 -1.09 -4.32 4.37 3.41 0.19 -4.98 113.62 112.07 1ddx n SER 3471Ca 0.14 -1.10 -0.32 0.00 -0.26 0.00 0.00 58.87 57.33 1ddx n SER 3471Cb 0.56 -2.64 -0.15 0.00 -0.26 0.00 0.00 64.21 61.72 1ddx n SER 3471CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1ddx s LEU 3472N -7.04 2.40 0.17 1.04 1.43 -0.11 -4.99 118.68 111.58 1ddx s LEU 3472Ca 0.12 -0.41 -0.32 0.00 -1.03 0.00 0.00 54.13 52.49 1ddx s LEU 3472Cb -0.05 -1.49 -0.11 0.00 0.03 0.00 0.00 46.19 44.57 1ddx s LEU 3472CO 0.92 0.21 1.63 -0.54 0.23 0.00 0.00 176.35 178.80 1ddx s LYS 3473N 0.06 4.18 0.73 1.70 -0.14 -1.26 -3.09 119.74 121.92 1ddx s LYS 3473Ca -0.08 2.45 -0.13 0.00 -1.36 0.00 0.00 55.97 56.85 1ddx s LYS 3473Cb -0.15 -3.16 0.04 0.00 -1.68 0.00 0.00 37.83 32.88 1ddx s LYS 3473CO 0.05 -0.67 1.12 -1.25 -0.76 0.00 0.00 175.35 173.84 1ddx s PRO 3474N 1.28 2.34 -0.19 -1.68 0.04 -1.26 -4.90 135.00 130.63 1ddx s PRO 3474Ca 0.72 1.38 -0.29 0.00 0.04 0.00 0.00 61.00 62.85 1ddx s PRO 3474Cb -0.46 -1.89 -0.00 0.00 0.04 0.00 0.00 34.50 32.19 1ddx s PRO 3474CO 0.32 -1.61 1.12 0.71 0.04 0.00 0.00 177.00 177.57 1ddx s TYR 3475N -2.52 3.18 -0.69 0.56 4.12 -1.26 -4.92 117.35 115.82 1ddx s TYR 3475Ca 0.66 1.32 0.26 0.00 0.02 0.00 0.00 57.07 59.32 1ddx s TYR 3475Cb -0.21 -3.35 0.78 0.00 -1.52 0.00 0.00 41.96 37.67 1ddx s TYR 3475CO 0.49 -0.90 1.76 1.79 0.02 0.00 0.00 175.55 178.71 1ddx h THR 3476N 5.42 0.00 -2.20 -0.71 1.35 -1.98 -3.43 112.91 111.36 1ddx h THR 3476Ca -0.23 -0.51 -0.07 0.00 -0.55 0.00 0.00 66.41 65.05 1ddx h THR 3476Cb 1.08 1.49 -0.20 0.00 -1.73 0.00 0.00 68.15 68.80 1ddx h THR 3476CO 0.96 0.00 0.08 -0.94 -0.25 0.00 0.00 175.52 175.37 1ddx s SER 3477N -4.67 -0.60 0.50 5.36 1.04 -1.26 -4.88 113.70 109.19 1ddx s SER 3477Ca 0.10 0.83 0.16 0.00 0.48 0.00 0.00 55.95 57.52 1ddx s SER 3477Cb 0.12 0.77 1.21 0.00 0.10 0.00 0.00 66.02 68.21 1ddx s SER 3477CO 0.59 -0.46 2.08 -0.26 0.98 0.00 0.00 173.24 176.18 1ddx h PHE 3478N 3.83 0.13 0.00 5.02 -1.00 -1.89 0.29 116.94 123.31 1ddx h PHE 3478Ca -0.28 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.46 1ddx h PHE 3478Cb 1.15 -0.04 -0.01 0.00 3.61 0.00 0.00 35.95 40.67 1ddx h PHE 3478CO 0.40 0.07 -0.20 1.49 -1.61 0.00 0.00 178.31 178.46 1ddx h GLU 3479N 0.13 0.00 -0.09 1.51 4.81 -1.87 -1.53 114.58 117.54 1ddx h GLU 3479Ca 0.11 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.19 1ddx h GLU 3479Cb 0.28 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.66 1ddx h GLU 3479CO -0.01 0.20 -0.53 1.49 -0.73 0.00 0.00 179.01 179.42 1ddx h GLU 3480N 0.00 0.51 0.00 1.92 4.81 -0.77 1.50 114.58 122.56 1ddx h GLU 3480Ca -0.00 -0.44 -0.03 0.00 -0.13 0.00 0.00 59.36 58.76 1ddx h GLU 3480Cb 0.37 0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.84 1ddx h GLU 3480CO 0.03 1.07 -0.12 1.25 -0.73 0.00 0.00 179.01 180.50 1ddx h LEU 3481N 0.10 0.00 0.00 1.64 5.85 -0.87 -3.27 115.31 118.76 1ddx h LEU 3481Ca -0.04 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.49 1ddx h LEU 3481Cb 1.19 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.18 1ddx h LEU 3481CO 0.11 0.12 -1.69 0.35 -0.34 0.00 0.00 178.44 176.99 1ddx n THR 3482N -4.28 0.69 0.00 1.05 -2.24 -0.63 0.16 114.28 109.04 1ddx n THR 3482Ca -0.03 -0.40 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 1ddx n THR 3482Cb 0.20 -0.77 0.00 0.00 -2.10 0.00 0.00 70.33 67.66 1ddx n THR 3482CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ddx n GLY 3483N 2.46 2.09 3.72 3.38 0.00 0.51 -4.34 105.19 113.01 1ddx n GLY 3483Ca -0.17 -0.32 -0.32 0.00 0.00 0.00 0.00 46.02 45.21 1ddx n GLY 3483CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1ddx s GLU 3484N 0.00 1.69 -0.02 1.61 4.04 -1.26 -4.83 118.70 119.94 1ddx s GLU 3484Ca 0.00 1.49 0.21 0.00 0.04 0.00 0.00 54.97 56.70 1ddx s GLU 3484Cb 0.00 -1.81 -0.25 0.00 0.02 0.00 0.00 34.13 32.09 1ddx s GLU 3484CO 0.00 -2.12 0.53 1.63 -1.84 0.00 0.00 175.26 173.46 1ddx n LYS 3485N -3.61 0.65 0.00 -4.83 5.02 -1.26 -4.34 118.16 109.80 1ddx n LYS 3485Ca 0.11 -0.08 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 1ddx n LYS 3485Cb 0.52 -1.59 0.00 0.00 -0.02 0.00 0.00 35.03 33.94 1ddx n LYS 3485CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1ddx n GLU 3486N -2.47 0.00 -0.34 1.97 0.00 -1.26 -1.08 120.64 117.46 1ddx n GLU 3486Ca -0.09 0.03 -0.01 0.00 0.00 0.00 0.00 57.16 57.09 1ddx n GLU 3486Cb 0.69 -0.57 0.05 0.00 0.00 0.00 0.00 31.44 31.60 1ddx n GLU 3486CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.13 177.65 1ddx h MET 3487N 0.00 -0.03 -0.48 5.31 2.86 -1.92 -0.28 114.93 120.39 1ddx h MET 3487Ca 0.00 0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.69 1ddx h MET 3487Cb 0.00 0.01 -0.06 0.00 0.06 0.00 0.00 31.60 31.61 1ddx h MET 3487CO 0.00 -0.02 -0.28 0.00 1.06 0.00 0.00 176.91 177.67 1ddx n ALA 3488N -3.42 -0.31 -0.24 6.32 0.00 -1.23 0.15 120.51 121.79 1ddx n ALA 3488Ca 0.10 0.41 0.02 0.00 0.00 0.00 0.00 53.44 53.96 1ddx n ALA 3488Cb 0.40 0.17 0.14 0.00 0.00 0.00 0.00 19.45 20.17 1ddx n ALA 3488CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ddx h ALA 3489N -0.24 0.96 -0.99 0.00 0.00 0.42 0.34 119.26 119.75 1ddx h ALA 3489Ca 0.08 0.08 0.07 0.00 0.00 0.00 0.00 54.91 55.14 1ddx h ALA 3489Cb 0.20 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 17.93 1ddx h ALA 3489CO -0.45 -0.12 0.63 1.49 0.00 0.00 0.00 179.25 180.80 1ddx h GLU 3490N 0.52 1.09 0.01 0.00 4.57 0.18 -2.11 114.58 118.84 1ddx h GLU 3490Ca 0.36 -0.07 -0.00 0.00 -1.18 0.00 0.00 59.36 58.47 1ddx h GLU 3490Cb 0.44 -0.25 0.00 0.00 -0.16 0.00 0.00 28.75 28.78 1ddx h GLU 3490CO -0.31 0.72 -0.00 -0.07 -1.18 0.00 0.00 179.01 178.17 1ddx h LEU 3491N 1.13 -0.01 -1.57 1.64 3.38 0.35 -3.07 115.31 117.15 1ddx h LEU 3491Ca 0.44 -0.65 0.17 0.00 0.09 0.00 0.00 57.88 57.93 1ddx h LEU 3491Cb 0.22 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1ddx h LEU 3491CO -0.19 0.65 0.74 0.50 0.09 0.00 0.00 178.44 180.23 1ddx h LYS 3492N -0.68 0.00 0.15 1.13 1.63 -0.14 1.95 116.57 120.61 1ddx h LYS 3492Ca -0.00 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.79 1ddx h LYS 3492Cb 0.66 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.29 1ddx h LYS 3492CO 0.00 0.00 -0.07 0.00 -3.45 0.00 0.00 179.45 175.93 1ddx h ALA 3493N 1.08 -0.20 -0.13 5.00 0.00 -1.29 -2.28 119.26 121.44 1ddx h ALA 3493Ca 0.28 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 1ddx h ALA 3493Cb 1.76 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.63 1ddx h ALA 3493CO -0.00 -0.43 -0.20 -0.07 0.00 0.00 0.00 179.25 178.55 1ddx h LEU 3494N -0.57 0.40 0.00 0.00 3.38 0.29 -3.38 115.31 115.43 1ddx h LEU 3494Ca -0.02 -0.53 -0.21 0.00 0.09 0.00 0.00 57.88 57.22 1ddx h LEU 3494Cb 0.44 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.04 1ddx h LEU 3494CO 0.03 0.85 -1.93 -1.22 0.09 0.00 0.00 178.44 176.26 1ddx n TYR 3495N -4.51 0.38 0.00 1.13 4.02 0.48 -4.50 117.16 114.16 1ddx n TYR 3495Ca -0.07 0.13 0.00 0.00 -0.01 0.00 0.00 57.90 57.95 1ddx n TYR 3495Cb 0.40 -0.91 0.00 0.00 -0.02 0.00 0.00 39.34 38.81 1ddx n TYR 3495CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 1ddx n SER 3496N -2.69 0.00 -4.65 7.72 7.64 -0.86 -4.75 113.62 116.03 1ddx n SER 3496Ca -0.17 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.29 1ddx n SER 3496Cb 0.90 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 64.07 1ddx n SER 3496CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1ddx s ASP 3497N -4.00 6.95 0.28 6.43 3.68 -1.26 -4.90 116.67 123.85 1ddx s ASP 3497Ca 0.00 1.18 0.02 0.00 2.13 0.00 0.00 52.55 55.88 1ddx s ASP 3497Cb 0.00 -2.48 0.69 0.00 -1.45 0.00 0.00 42.92 39.68 1ddx s ASP 3497CO 0.00 -0.58 1.66 -0.29 0.13 0.00 0.00 175.17 176.09 1ddx h ILE 3498N 5.43 0.36 -0.16 4.11 6.09 -1.90 0.05 117.51 131.49 1ddx h ILE 3498Ca -0.22 -0.08 0.04 0.00 -1.37 0.00 0.00 64.86 63.23 1ddx h ILE 3498Cb 1.08 0.09 -0.07 0.00 0.47 0.00 0.00 36.82 38.40 1ddx h ILE 3498CO 0.92 0.04 -0.52 0.44 -3.07 0.00 0.00 178.15 175.96 1ddx h ASP 3499N 0.24 -1.67 0.00 2.19 3.32 -1.91 0.14 116.42 118.73 1ddx h ASP 3499Ca 0.54 0.20 0.00 0.00 0.02 0.00 0.00 57.03 57.79 1ddx h ASP 3499Cb 1.07 0.66 0.00 0.00 0.22 0.00 0.00 39.33 41.28 1ddx h ASP 3499CO -0.62 -0.47 0.00 0.52 -1.72 0.00 0.00 179.24 176.95 1ddx n VAL 3500N -5.43 0.00 -2.16 -1.35 0.31 0.00 -4.20 118.33 105.50 1ddx n VAL 3500Ca -0.05 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.86 1ddx n VAL 3500Cb 0.37 -0.79 -0.03 0.00 -0.91 0.00 0.00 33.84 32.48 1ddx n VAL 3500CO 0.00 0.00 0.00 -0.32 -1.32 0.00 0.00 176.83 175.19 1ddx s MET 3501N -1.63 4.32 0.36 5.55 0.00 0.48 -4.91 119.30 123.47 1ddx s MET 3501Ca 0.00 2.09 -0.26 0.00 0.00 0.00 0.00 55.69 57.53 1ddx s MET 3501Cb 0.00 -3.23 -0.09 0.00 0.00 0.00 0.00 34.83 31.51 1ddx s MET 3501CO 0.00 -0.43 1.06 -1.21 0.00 0.00 0.00 175.02 174.44 1ddx s GLU 3502N 0.94 4.31 0.00 4.11 2.02 -1.26 -1.22 118.70 127.60 1ddx s GLU 3502Ca 0.64 1.59 0.00 0.00 0.02 0.00 0.00 54.97 57.22 1ddx s GLU 3502Cb -0.37 -2.74 0.00 0.00 0.10 0.00 0.00 34.13 31.12 1ddx s GLU 3502CO 0.31 -0.02 0.83 -0.11 0.02 0.00 0.00 175.26 176.29 1ddx n LEU 3503N 0.32 0.00 -0.28 1.80 7.94 -1.26 -1.65 117.00 123.87 1ddx n LEU 3503Ca 0.03 0.83 -0.03 0.00 -1.11 0.00 0.00 56.01 55.73 1ddx n LEU 3503Cb 0.48 -0.33 -0.01 0.00 0.53 0.00 0.00 43.42 44.09 1ddx n LEU 3503CO 0.48 -0.33 0.38 0.00 -1.11 0.00 0.00 177.39 176.81 1ddx n TYR 3504N -1.49 -0.10 0.10 1.96 9.36 -1.26 -0.30 117.16 125.43 1ddx n TYR 3504Ca 0.00 0.86 -0.06 0.00 3.32 0.00 0.00 57.90 62.02 1ddx n TYR 3504Cb 0.00 -0.68 -0.03 0.00 -0.63 0.00 0.00 39.34 37.99 1ddx n TYR 3504CO 0.00 0.00 0.00 -1.35 0.22 0.00 0.00 176.86 175.73 1ddx h PRO 3505N 0.00 -0.32 -1.92 2.98 0.11 -1.95 -1.56 132.00 129.34 1ddx h PRO 3505Ca 0.19 0.02 0.56 0.00 0.11 0.00 0.00 66.00 66.88 1ddx h PRO 3505Cb 0.37 0.07 -0.08 0.00 0.11 0.00 0.00 31.00 31.47 1ddx h PRO 3505CO -0.68 -0.21 1.42 0.00 -0.21 0.00 0.00 178.00 178.32 1ddx n ALA 3506N -2.41 1.84 -0.05 -0.75 0.00 0.17 -0.18 120.51 119.13 1ddx n ALA 3506Ca -0.04 0.63 -0.14 0.00 0.00 0.00 0.00 53.44 53.90 1ddx n ALA 3506Cb 0.15 -1.10 -0.08 0.00 0.00 0.00 0.00 19.45 18.42 1ddx n ALA 3506CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1ddx h LEU 3507N 0.00 0.38 -0.66 0.00 3.38 0.38 0.91 115.31 119.69 1ddx h LEU 3507Ca 0.91 -0.53 -0.14 0.00 0.09 0.00 0.00 57.88 58.21 1ddx h LEU 3507Cb 3.73 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 44.35 1ddx h LEU 3507CO -0.01 0.84 -0.67 -0.07 0.09 0.00 0.00 178.44 178.62 1ddx h LEU 3508N -0.07 0.00 0.00 1.67 3.38 -0.35 -3.10 115.31 116.83 1ddx h LEU 3508Ca 0.01 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 1ddx h LEU 3508Cb 0.76 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 1ddx h LEU 3508CO 0.04 0.67 -1.21 0.52 0.09 0.00 0.00 178.44 178.56 1ddx n VAL 3509N -3.74 0.78 -0.74 1.22 0.31 -0.77 -2.70 118.33 112.68 1ddx n VAL 3509Ca -0.01 -0.60 -0.27 0.00 -0.01 0.00 0.00 64.34 63.46 1ddx n VAL 3509Cb 0.66 -0.45 0.03 0.00 -0.91 0.00 0.00 33.84 33.17 1ddx n VAL 3509CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1ddx n GLU 3510N -2.72 0.00 -2.98 5.55 2.13 0.31 -4.51 120.64 118.42 1ddx n GLU 3510Ca -0.04 0.00 -0.44 0.00 0.66 0.00 0.00 57.16 57.34 1ddx n GLU 3510Cb 0.65 -0.73 -0.04 0.00 0.27 0.00 0.00 31.44 31.59 1ddx n GLU 3510CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 1ddx s LYS 3511N -1.44 3.26 0.75 5.31 2.20 0.42 -4.08 119.74 126.16 1ddx s LYS 3511Ca 0.30 -1.34 -0.13 0.00 -0.36 0.00 0.00 55.97 54.43 1ddx s LYS 3511Cb -0.14 -4.45 -0.12 0.00 -1.51 0.00 0.00 37.83 31.61 1ddx s LYS 3511CO 0.60 -1.69 -0.59 -2.30 -0.36 0.00 0.00 175.35 171.01 1ddx n PRO 3512N 6.74 0.00 -2.73 4.03 -0.02 -1.26 -4.66 135.00 137.10 1ddx n PRO 3512Ca 0.03 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.23 1ddx n PRO 3512Cb 0.46 -0.78 -0.01 0.00 -0.02 0.00 0.00 33.50 33.14 1ddx n PRO 3512CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1ddx s ARG 3513N -1.50 3.64 -0.54 -0.52 3.00 -1.04 -4.84 118.95 117.15 1ddx s ARG 3513Ca 0.32 0.32 -0.05 0.00 0.00 0.00 0.00 55.73 56.32 1ddx s ARG 3513Cb -0.16 -2.38 -0.18 0.00 0.00 0.00 0.00 34.95 32.22 1ddx s ARG 3513CO 0.64 -0.13 1.56 -2.30 0.00 0.00 0.00 175.30 175.06 1ddx n PRO 3514N -1.83 0.00 -1.00 3.54 -0.02 -1.26 0.12 135.00 134.55 1ddx n PRO 3514Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.49 1ddx n PRO 3514Cb 0.55 -0.93 0.00 0.00 -0.02 0.00 0.00 33.50 33.09 1ddx n PRO 3514CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1ddx n ASP 3515N 4.74 -1.37 -4.45 2.55 8.00 -1.26 -5.02 116.55 119.75 1ddx n ASP 3515Ca 0.37 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.57 1ddx n ASP 3515Cb 0.27 -0.24 0.16 0.00 -0.02 0.00 0.00 41.12 41.29 1ddx n ASP 3515CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ddx s ALA 3516N -3.08 1.94 -0.13 2.24 0.00 0.32 -3.51 121.76 119.53 1ddx s ALA 3516Ca 0.00 -0.84 0.20 0.00 0.00 0.00 0.00 51.96 51.32 1ddx s ALA 3516Cb 0.00 -2.91 -0.30 0.00 0.00 0.00 0.00 23.12 19.91 1ddx s ALA 3516CO 0.00 -2.41 0.48 1.51 0.00 0.00 0.00 175.76 175.34 1ddx n ILE 3517N -3.82 0.00 -4.45 0.00 3.06 -1.26 -4.49 119.36 108.39 1ddx n ILE 3517Ca 0.11 -0.40 -0.23 0.00 -2.50 0.00 0.00 62.75 59.72 1ddx n ILE 3517Cb 0.60 0.16 -0.10 0.00 0.54 0.00 0.00 39.64 40.84 1ddx n ILE 3517CO 0.00 0.00 0.00 -0.36 -2.50 0.00 0.00 176.55 173.69 1ddx s PHE 3518N -3.31 2.15 0.00 9.51 0.08 -1.26 -0.90 117.98 124.25 1ddx s PHE 3518Ca -0.06 -0.46 0.00 0.00 0.12 0.00 0.00 56.93 56.54 1ddx s PHE 3518Cb 0.13 -1.04 0.00 0.00 -0.57 0.00 0.00 43.02 41.54 1ddx s PHE 3518CO 0.82 0.57 0.00 0.41 -0.10 0.00 0.00 175.22 176.92 1ddx n GLY 3519N -0.60 0.05 0.08 4.36 0.00 -1.26 -2.51 105.19 105.31 1ddx n GLY 3519Ca -0.06 -1.77 -0.15 0.00 0.00 0.00 0.00 46.02 44.04 1ddx n GLY 3519CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1ddx h GLU 3520N 0.00 0.00 -0.19 1.61 4.81 -1.93 -3.28 114.58 115.60 1ddx h GLU 3520Ca 0.00 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.25 1ddx h GLU 3520Cb 0.00 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 1ddx h GLU 3520CO 0.00 0.94 -0.13 1.15 -0.73 0.00 0.00 179.01 180.25 1ddx h THR 3521N -1.00 0.00 -0.99 0.32 2.02 -1.97 0.20 112.91 111.49 1ddx h THR 3521Ca -0.09 0.00 0.21 0.00 0.77 0.00 0.00 66.41 67.30 1ddx h THR 3521Cb 1.03 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 67.34 1ddx h THR 3521CO -0.05 0.00 0.62 -0.03 0.37 0.00 0.00 175.52 176.42 1ddx h MET 3522N -0.02 0.61 0.33 6.66 1.85 -1.91 -1.75 114.93 120.71 1ddx h MET 3522Ca 0.03 -0.04 -0.02 0.00 -0.61 0.00 0.00 59.70 59.07 1ddx h MET 3522Cb 0.10 -0.14 0.00 0.00 0.43 0.00 0.00 31.60 31.99 1ddx h MET 3522CO -0.19 0.41 -0.16 0.28 -0.40 0.00 0.00 176.91 176.85 1ddx h VAL 3523N 0.63 0.64 0.00 -5.77 2.07 -1.04 -2.69 116.25 110.09 1ddx h VAL 3523Ca 0.57 -0.57 0.00 0.00 0.82 0.00 0.00 66.70 67.53 1ddx h VAL 3523Cb 1.07 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 31.76 1ddx h VAL 3523CO -0.35 0.10 0.00 -0.62 0.02 0.00 0.00 177.57 176.73 1ddx n GLU 3524N -5.15 0.14 -0.09 1.57 -0.58 0.51 -0.86 120.64 116.18 1ddx n GLU 3524Ca -0.10 0.07 -0.19 0.00 -0.42 0.00 0.00 57.16 56.52 1ddx n GLU 3524Cb 0.27 -1.50 -0.06 0.00 -0.57 0.00 0.00 31.44 29.58 1ddx n GLU 3524CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1ddx n LEU 3525N -1.08 1.55 0.27 -4.62 4.77 -0.92 -4.54 117.00 112.43 1ddx n LEU 3525Ca 0.03 0.26 0.16 0.00 -0.03 0.00 0.00 56.01 56.44 1ddx n LEU 3525Cb 0.02 -0.63 0.61 0.00 -2.33 0.00 0.00 43.42 41.10 1ddx n LEU 3525CO 0.03 0.22 0.96 1.23 -1.33 0.00 0.00 177.39 178.51 1ddx h GLY 3526N -0.76 0.00 0.89 -0.72 0.00 -1.28 -2.86 103.07 98.34 1ddx h GLY 3526Ca -0.40 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.92 1ddx h GLY 3526CO -0.24 0.00 -0.22 0.00 0.00 0.00 0.00 176.54 176.08 1ddx h ALA 3527N 1.99 -0.54 0.01 3.60 0.00 -1.23 0.22 119.26 123.31 1ddx h ALA 3527Ca -0.00 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1ddx h ALA 3527Cb 0.59 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1ddx h ALA 3527CO 0.00 -0.82 -0.01 -1.35 0.00 0.00 0.00 179.25 177.08 1ddx h PRO 3528N -0.55 -0.02 -0.48 0.00 0.11 -1.79 -2.21 132.00 127.05 1ddx h PRO 3528Ca -0.04 0.00 0.12 0.00 0.11 0.00 0.00 66.00 66.20 1ddx h PRO 3528Cb 0.46 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 31.48 1ddx h PRO 3528CO 0.03 -0.01 -0.02 1.19 -0.21 0.00 0.00 178.00 178.98 1ddx n PHE 3529N -2.07 0.28 0.08 0.65 0.99 -1.08 -1.49 117.46 114.82 1ddx n PHE 3529Ca -0.00 0.58 -0.04 0.00 -0.00 0.00 0.00 57.45 57.99 1ddx n PHE 3529Cb 0.01 -0.84 -0.02 0.00 -1.00 0.00 0.00 39.48 37.63 1ddx n PHE 3529CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 1ddx h SER 3530N 0.00 -0.20 0.00 4.37 0.87 -0.52 -3.24 113.55 114.83 1ddx h SER 3530Ca 0.28 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.85 1ddx h SER 3530Cb 0.55 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.56 1ddx h SER 3530CO -0.46 -0.07 0.08 0.18 -0.53 0.00 0.00 176.83 176.03 1ddx n LEU 3531N -3.03 0.00 0.00 2.23 4.32 -0.56 -1.16 117.00 118.80 1ddx n LEU 3531Ca -0.03 0.14 0.00 0.00 -0.02 0.00 0.00 56.01 56.10 1ddx n LEU 3531Cb 0.09 -0.14 0.00 0.00 -1.62 0.00 0.00 43.42 41.75 1ddx n LEU 3531CO 0.07 -0.14 0.00 1.17 -1.22 0.00 0.00 177.39 177.27 1ddx n LYS 3532N -1.04 0.00 0.14 3.23 0.00 -0.95 -2.08 118.16 117.46 1ddx n LYS 3532Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 1ddx n LYS 3532Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.12 1ddx n LYS 3532CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1ddx n GLY 3533N 3.05 -0.22 0.07 3.14 0.00 -0.98 0.13 105.19 110.38 1ddx n GLY 3533Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.96 1ddx n GLY 3533CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1ddx h LEU 3534N 0.00 0.00 0.00 0.99 7.12 -1.27 -3.37 115.31 118.78 1ddx h LEU 3534Ca 0.00 -0.26 -0.00 0.00 0.13 0.00 0.00 57.88 57.75 1ddx h LEU 3534Cb 1.42 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.55 1ddx h LEU 3534CO 0.00 0.78 -0.02 0.24 -0.13 0.00 0.00 178.44 179.31 1ddx h MET 3535N -1.00 0.01 0.00 1.25 2.86 0.16 -3.31 114.93 114.90 1ddx h MET 3535Ca -0.04 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1ddx h MET 3535Cb 0.48 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.15 1ddx h MET 3535CO -0.03 0.95 0.00 0.41 1.06 0.00 0.00 176.91 179.31 1ddx n GLY 3536N 1.47 0.00 3.77 8.32 0.00 0.34 -4.46 105.19 114.62 1ddx n GLY 3536Ca -0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.53 1ddx n GLY 3536CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ddx s ASN 3537N -1.54 6.96 0.02 1.61 3.84 -1.25 -1.91 114.94 122.67 1ddx s ASN 3537Ca 0.00 2.30 -0.04 0.00 0.21 0.00 0.00 52.86 55.33 1ddx s ASN 3537Cb 0.00 -2.62 -0.01 0.00 -0.55 0.00 0.00 41.25 38.07 1ddx s ASN 3537CO 0.00 -0.36 1.06 -0.81 -2.79 0.00 0.00 177.10 174.20 1ddx n PRO 3538N 0.69 -0.05 0.10 0.43 -0.04 -1.26 -0.77 135.00 134.10 1ddx n PRO 3538Ca 0.01 1.05 0.01 0.00 -0.04 0.00 0.00 63.50 64.54 1ddx n PRO 3538Cb 0.46 -1.58 0.05 0.00 -0.04 0.00 0.00 33.50 32.39 1ddx n PRO 3538CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 1ddx n ILE 3539N -3.25 0.19 1.16 0.52 -6.64 -1.26 0.16 119.36 110.24 1ddx n ILE 3539Ca 0.00 0.66 0.12 0.00 -1.77 0.00 0.00 62.75 61.76 1ddx n ILE 3539Cb 0.03 -1.66 0.24 0.00 -1.44 0.00 0.00 39.64 36.81 1ddx n ILE 3539CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1ddx s SER 3541N -2.47 6.63 0.16 0.00 1.04 0.43 -4.76 113.70 114.73 1ddx s SER 3541Ca 0.23 1.54 -0.24 0.00 0.48 0.00 0.00 55.95 57.95 1ddx s SER 3541Cb 0.19 -2.50 0.04 0.00 0.10 0.00 0.00 66.02 63.85 1ddx s SER 3541CO 0.53 -0.56 1.59 -0.65 0.98 0.00 0.00 173.24 175.13 1ddx h PRO 3542N 0.99 -0.26 -2.02 4.02 0.11 -1.91 -1.23 132.00 131.69 1ddx h PRO 3542Ca -0.47 0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.63 1ddx h PRO 3542Cb 1.18 0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 1ddx h PRO 3542CO 0.62 -0.18 -0.04 0.00 -0.21 0.00 0.00 178.00 178.19 1ddx n GLN 3543N -5.42 0.98 0.00 1.05 -0.00 -1.26 -2.89 117.38 109.84 1ddx n GLN 3543Ca 0.01 -0.14 0.00 0.00 -0.00 0.00 0.00 57.00 56.87 1ddx n GLN 3543Cb 0.35 -1.21 0.00 0.00 -0.00 0.00 0.00 30.24 29.37 1ddx n GLN 3543CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 1ddx n TYR 3544N 1.74 0.00 -2.06 2.61 4.01 -0.77 -5.02 117.16 117.67 1ddx n TYR 3544Ca 0.06 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.52 1ddx n TYR 3544Cb 0.48 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.45 1ddx n TYR 3544CO 0.00 0.00 0.00 -0.46 -0.46 0.00 0.00 176.86 175.94 1ddx s TRP 3545N -1.00 1.94 -0.23 -0.72 -0.00 -0.54 -4.57 118.94 113.82 1ddx s TRP 3545Ca 0.00 0.50 -0.27 0.00 -0.00 0.00 0.00 56.10 56.33 1ddx s TRP 3545Cb 0.00 -3.99 0.13 0.00 -0.00 0.00 0.00 33.47 29.60 1ddx s TRP 3545CO 0.00 -1.21 1.02 -1.59 -0.00 0.00 0.00 176.95 175.18 1ddx s LYS 3546N 6.51 0.54 0.17 5.86 -2.85 -1.26 -4.99 119.74 123.72 1ddx s LYS 3546Ca 0.69 0.40 -0.10 0.00 -1.00 0.00 0.00 55.97 55.96 1ddx s LYS 3546Cb -0.01 0.26 0.23 0.00 -2.06 0.00 0.00 37.83 36.24 1ddx s LYS 3546CO 0.13 -0.11 1.08 -2.30 0.10 0.00 0.00 175.35 174.25 1ddx n PRO 3547N 1.58 -0.13 -0.27 1.78 -0.01 -1.26 -0.11 135.00 136.59 1ddx n PRO 3547Ca -0.12 1.08 -0.09 0.00 -0.01 0.00 0.00 63.50 64.36 1ddx n PRO 3547Cb 0.57 -1.60 -0.07 0.00 -0.01 0.00 0.00 33.50 32.38 1ddx n PRO 3547CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 175.50 176.15 1ddx h SER 3548N 0.00 -1.57 -0.62 2.55 4.64 -1.91 1.79 113.55 118.44 1ddx h SER 3548Ca 0.28 0.23 0.18 0.00 -0.47 0.00 0.00 61.79 62.01 1ddx h SER 3548Cb 0.45 0.68 -0.02 0.00 -0.31 0.00 0.00 62.40 63.20 1ddx h SER 3548CO -0.70 -0.20 1.06 0.74 -0.87 0.00 0.00 176.83 176.86 1ddx h THR 3549N -0.07 0.02 0.00 2.95 2.02 -0.76 0.26 112.91 117.34 1ddx h THR 3549Ca 0.10 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.25 1ddx h THR 3549Cb 0.34 0.07 -0.07 0.00 -1.74 0.00 0.00 68.15 66.75 1ddx h THR 3549CO -0.64 0.00 -0.53 0.49 0.37 0.00 0.00 175.52 175.20 1ddx n PHE 3550N -3.02 0.00 -1.32 3.16 3.01 0.20 -4.91 117.46 114.58 1ddx n PHE 3550Ca 0.14 -1.20 -0.02 0.00 1.01 0.00 0.00 57.45 57.37 1ddx n PHE 3550Cb 1.25 -0.21 -0.01 0.00 -0.01 0.00 0.00 39.48 40.50 1ddx n PHE 3550CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ddx n GLY 3551N -0.83 0.47 0.00 1.37 0.00 0.91 -4.24 105.19 102.87 1ddx n GLY 3551Ca 0.16 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.23 1ddx n GLY 3551CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ddx n GLY 3552N -2.27 -1.38 0.22 -0.02 0.00 0.55 -4.42 105.19 97.87 1ddx n GLY 3552Ca -0.02 -1.54 -0.04 0.00 0.00 0.00 0.00 46.02 44.41 1ddx n GLY 3552CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ddx n GLU 3553N -1.31 -0.20 0.00 1.61 -0.58 -1.26 -0.95 120.64 117.95 1ddx n GLU 3553Ca 0.00 0.80 0.00 0.00 -0.42 0.00 0.00 57.16 57.54 1ddx n GLU 3553Cb 0.00 -1.17 0.00 0.00 -0.57 0.00 0.00 31.44 29.70 1ddx n GLU 3553CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1ddx n VAL 3554N -4.69 0.00 0.22 2.62 0.31 -1.26 0.11 118.33 115.64 1ddx n VAL 3554Ca 0.02 1.31 0.12 0.00 -0.01 0.00 0.00 64.34 65.79 1ddx n VAL 3554Cb 0.16 -1.97 0.66 0.00 -0.91 0.00 0.00 33.84 31.77 1ddx n VAL 3554CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1ddx h GLY 3555N 0.00 0.00 0.11 2.92 0.00 -1.57 -1.61 103.07 102.93 1ddx h GLY 3555Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ddx h GLY 3555CO 0.00 0.00 -0.04 -2.75 0.00 0.00 0.00 176.54 173.75 1ddx h PHE 3556N 0.00 -0.11 -0.98 5.60 3.57 1.00 -3.33 116.94 122.69 1ddx h PHE 3556Ca 0.00 -0.00 0.15 0.00 3.53 0.00 0.00 57.97 61.65 1ddx h PHE 3556Cb 0.30 0.04 -0.16 0.00 2.79 0.00 0.00 35.95 38.92 1ddx h PHE 3556CO 0.00 0.11 -0.39 -0.22 -2.23 0.00 0.00 178.31 175.57 1ddx h LYS 3557N -1.01 -0.01 -0.45 1.11 3.64 0.17 0.61 116.57 120.63 1ddx h LYS 3557Ca -0.01 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.41 1ddx h LYS 3557Cb 0.27 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.04 1ddx h LYS 3557CO 0.02 -0.01 -0.26 -0.89 -2.27 0.00 0.00 179.45 176.04 1ddx n ILE 3558N -5.46 -0.30 0.13 2.00 5.41 -1.00 0.79 119.36 120.93 1ddx n ILE 3558Ca 0.10 1.18 -0.13 0.00 1.00 0.00 0.00 62.75 64.90 1ddx n ILE 3558Cb 0.39 -1.47 -0.06 0.00 -0.71 0.00 0.00 39.64 37.79 1ddx n ILE 3558CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 1ddx h ILE 3559N 0.00 0.63 0.00 1.39 2.04 -1.01 -2.12 117.51 118.43 1ddx h ILE 3559Ca 0.07 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.93 1ddx h ILE 3559Cb 0.18 0.63 0.00 0.00 -0.74 0.00 0.00 36.82 36.89 1ddx h ILE 3559CO -0.42 0.00 0.01 0.59 0.00 0.00 0.00 178.15 178.33 1ddx n ASN 3560N -5.29 0.31 -3.19 1.72 3.02 0.24 -2.59 115.26 109.47 1ddx n ASN 3560Ca -0.08 0.64 -0.24 0.00 -0.03 0.00 0.00 54.58 54.88 1ddx n ASN 3560Cb 0.21 -0.68 -0.06 0.00 -0.61 0.00 0.00 39.78 38.64 1ddx n ASN 3560CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1ddx n THR 3561N -1.92 1.06 -4.60 3.41 -2.24 0.78 -5.06 114.28 105.72 1ddx n THR 3561Ca -0.01 -4.81 -0.24 0.00 -2.27 0.00 0.00 64.05 56.72 1ddx n THR 3561Cb 0.03 -1.46 -0.16 0.00 -2.10 0.00 0.00 70.33 66.63 1ddx n THR 3561CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ddx s ALA 3562N -2.33 1.22 -0.02 6.98 0.00 -1.07 -4.80 121.76 121.75 1ddx s ALA 3562Ca 0.41 -0.47 -0.03 0.00 0.00 0.00 0.00 51.96 51.87 1ddx s ALA 3562Cb 0.23 -0.47 0.00 0.00 0.00 0.00 0.00 23.12 22.88 1ddx s ALA 3562CO -0.08 0.17 0.06 -1.54 0.00 0.00 0.00 175.76 174.37 1ddx s SER 3563N 0.34 -0.02 0.44 0.00 1.04 -1.26 -4.37 113.70 109.86 1ddx s SER 3563Ca -0.08 0.03 0.28 0.00 0.48 0.00 0.00 55.95 56.66 1ddx s SER 3563Cb -0.12 0.14 1.35 0.00 0.10 0.00 0.00 66.02 67.48 1ddx s SER 3563CO 0.02 -0.09 1.69 -0.29 0.98 0.00 0.00 173.24 175.55 1ddx h ILE 3564N 4.93 0.28 0.00 -1.02 6.09 -1.97 0.32 117.51 126.13 1ddx h ILE 3564Ca -0.26 -0.06 0.00 0.00 -1.37 0.00 0.00 64.86 63.17 1ddx h ILE 3564Cb 1.20 0.09 0.00 0.00 0.47 0.00 0.00 36.82 38.58 1ddx h ILE 3564CO 0.45 0.03 0.00 1.67 -3.07 0.00 0.00 178.15 177.24 1ddx n GLN 3565N -4.58 0.00 -0.27 2.19 -0.06 -1.26 -1.44 117.38 111.96 1ddx n GLN 3565Ca 0.32 0.49 0.06 0.00 -2.00 0.00 0.00 57.00 55.88 1ddx n GLN 3565Cb 1.26 -1.33 0.20 0.00 -4.06 0.00 0.00 30.24 26.31 1ddx n GLN 3565CO 0.00 0.00 0.00 0.66 -0.20 0.00 0.00 177.06 177.52 1ddx h SER 3566N 0.00 0.29 -0.91 1.69 4.64 -1.51 0.85 113.55 118.60 1ddx h SER 3566Ca 0.00 0.12 0.26 0.00 -0.47 0.00 0.00 61.79 61.69 1ddx h SER 3566Cb 0.00 0.09 -0.15 0.00 -0.31 0.00 0.00 62.40 62.03 1ddx h SER 3566CO 0.00 0.09 0.21 0.25 -0.87 0.00 0.00 176.83 176.51 1ddx h LEU 3567N 0.44 -0.08 0.17 5.97 5.85 -0.15 0.74 115.31 128.25 1ddx h LEU 3567Ca 0.43 0.22 -0.32 0.00 0.84 0.00 0.00 57.88 59.05 1ddx h LEU 3567Cb 0.68 0.32 0.01 0.00 0.37 0.00 0.00 40.66 42.04 1ddx h LEU 3567CO -0.42 -0.22 -1.53 0.40 -0.34 0.00 0.00 178.44 176.33 1ddx h ILE 3568N 0.15 1.19 -0.12 4.05 5.03 0.51 -2.81 117.51 125.50 1ddx h ILE 3568Ca 0.58 -2.74 0.05 0.00 -0.12 0.00 0.00 64.86 62.63 1ddx h ILE 3568Cb 1.22 2.87 -0.06 0.00 -3.03 0.00 0.00 36.82 37.81 1ddx h ILE 3568CO -0.72 0.84 -0.31 0.00 -0.68 0.00 0.00 178.15 177.28 1ddx h ASN 3570N -0.39 -0.43 0.33 0.00 2.35 -0.11 -3.32 115.58 114.01 1ddx h ASN 3570Ca 0.09 -0.14 -0.05 0.00 -0.55 0.00 0.00 56.30 55.66 1ddx h ASN 3570Cb 0.53 0.11 -0.01 0.00 0.05 0.00 0.00 38.32 39.01 1ddx h ASN 3570CO -0.34 -0.03 -0.22 0.78 -1.65 0.00 0.00 177.43 175.97 1ddx h ASN 3571N -0.92 0.00 -3.34 5.81 2.35 -1.43 -3.44 115.58 114.60 1ddx h ASN 3571Ca -0.05 0.00 -0.66 0.00 -0.55 0.00 0.00 56.30 55.04 1ddx h ASN 3571Cb 0.54 0.00 -0.13 0.00 0.05 0.00 0.00 38.32 38.79 1ddx h ASN 3571CO 0.09 0.22 -0.64 -0.69 -1.65 0.00 0.00 177.43 174.75 1ddx s VAL 3572N -4.32 4.16 0.62 2.81 1.01 0.14 -4.98 120.40 119.85 1ddx s VAL 3572Ca -0.03 -0.72 -0.19 0.00 0.00 0.00 0.00 61.98 61.04 1ddx s VAL 3572Cb 0.14 -2.91 -0.03 0.00 0.00 0.00 0.00 36.38 33.59 1ddx s VAL 3572CO 0.66 0.28 1.21 1.17 0.00 0.00 0.00 175.10 178.42 1ddx n LYS 3573N 1.07 1.12 -0.65 2.72 4.81 -1.26 -2.84 118.16 123.13 1ddx n LYS 3573Ca -0.13 0.43 0.00 0.00 -0.87 0.00 0.00 58.31 57.75 1ddx n LYS 3573Cb 0.52 -2.44 0.00 0.00 0.02 0.00 0.00 35.03 33.14 1ddx n LYS 3573CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ddx n GLY 3574N 1.01 0.00 3.84 3.14 0.00 -1.26 -3.56 105.19 108.36 1ddx n GLY 3574Ca 0.15 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.89 1ddx n GLY 3574CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ddx n PRO 3576N -4.34 2.35 -1.35 0.00 -0.04 -1.23 -4.87 135.00 125.52 1ddx n PRO 3576Ca -0.24 0.86 -0.37 0.00 -0.04 0.00 0.00 63.50 63.72 1ddx n PRO 3576Cb 0.65 -2.72 0.06 0.00 -0.04 0.00 0.00 33.50 31.46 1ddx n PRO 3576CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1ddx n PHE 3577N 6.37 -0.44 -3.85 0.54 7.35 -1.26 -4.74 117.46 121.43 1ddx n PHE 3577Ca 0.21 0.38 -0.07 0.00 -0.76 0.00 0.00 57.45 57.21 1ddx n PHE 3577Cb 0.32 -1.96 -0.02 0.00 0.35 0.00 0.00 39.48 38.16 1ddx n PHE 3577CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 1ddx s THR 3578N -1.83 0.00 0.02 -2.13 2.01 -1.26 -4.69 115.64 107.76 1ddx s THR 3578Ca 0.68 -0.99 -0.29 0.00 0.31 0.00 0.00 61.69 61.40 1ddx s THR 3578Cb -0.37 -1.98 0.11 0.00 0.01 0.00 0.00 72.50 70.27 1ddx s THR 3578CO 0.55 -0.00 1.20 -0.55 -0.69 0.00 0.00 174.62 175.13 1ddx s SER 3579N -2.92 -0.09 0.00 3.53 0.15 -1.26 -4.77 113.70 108.34 1ddx s SER 3579Ca 0.11 -0.20 0.19 0.00 0.70 0.00 0.00 55.95 56.76 1ddx s SER 3579Cb -0.06 0.25 0.53 0.00 -1.71 0.00 0.00 66.02 65.03 1ddx s SER 3579CO 0.06 -0.45 1.43 0.49 1.20 0.00 0.00 173.24 175.98 1ddx n PHE 3580N -0.47 0.54 -5.03 3.44 0.99 -1.26 -4.64 117.46 111.03 1ddx n PHE 3580Ca -0.08 -0.27 -0.32 0.00 -0.00 0.00 0.00 57.45 56.78 1ddx n PHE 3580Cb 0.62 0.00 -0.16 0.00 -1.00 0.00 0.00 39.48 38.94 1ddx n PHE 3580CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.76 177.97 1ddx s ASN 3581N -1.26 3.50 -1.28 4.37 3.04 -1.26 -2.48 114.94 119.58 1ddx s ASN 3581Ca 0.36 -0.44 -0.17 0.00 0.04 0.00 0.00 52.86 52.65 1ddx s ASN 3581Cb 0.19 -1.39 0.10 0.00 -1.54 0.00 0.00 41.25 38.61 1ddx s ASN 3581CO 0.27 0.18 1.67 0.55 -3.04 0.00 0.00 177.10 176.73 1ddx n VAL 3582N 3.39 4.03 -0.08 -5.21 3.14 0.49 -4.84 118.33 119.24 1ddx n VAL 3582Ca -0.18 -4.26 0.00 0.00 -2.96 0.00 0.00 64.34 56.94 1ddx n VAL 3582Cb 0.53 -2.39 0.00 0.00 -1.06 0.00 0.00 33.84 30.92 1ddx n VAL 3582CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37