#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ddx s ASN 2034N 0.00 5.60 0.00 0.00 3.84 -1.26 -4.78 114.94 118.35 1ddx s ASN 2034Ca 0.00 1.98 0.00 0.00 0.21 0.00 0.00 52.86 55.05 1ddx s ASN 2034Cb 0.00 -2.51 0.00 0.00 -0.55 0.00 0.00 41.25 38.19 1ddx s ASN 2034CO 0.00 -1.83 0.88 -0.81 -2.79 0.00 0.00 177.10 172.55 1ddx n PRO 2035N 8.58 0.00 0.02 0.43 -0.04 -1.26 -0.23 135.00 142.50 1ddx n PRO 2035Ca 0.28 0.39 0.05 0.00 -0.04 0.00 0.00 63.50 64.18 1ddx n PRO 2035Cb 0.44 -1.54 -0.09 0.00 -0.04 0.00 0.00 33.50 32.27 1ddx n PRO 2035CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ddx n SER 2038N -4.45 0.06 -4.33 0.00 3.41 -1.26 -4.37 113.62 102.67 1ddx n SER 2038Ca 0.10 -0.87 -0.38 0.00 -0.26 0.00 0.00 58.87 57.46 1ddx n SER 2038Cb 0.31 -0.03 -0.05 0.00 -0.26 0.00 0.00 64.21 64.18 1ddx n SER 2038CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1ddx n ASN 2039N -0.40 -2.22 -0.13 4.04 5.03 0.27 -4.86 115.26 116.99 1ddx n ASN 2039Ca 0.00 -1.12 -0.04 0.00 0.87 0.00 0.00 54.58 54.29 1ddx n ASN 2039Cb 0.01 -2.26 0.04 0.00 -1.02 0.00 0.00 39.78 36.55 1ddx n ASN 2039CO 0.00 0.00 0.00 1.55 -1.83 0.00 0.00 177.26 176.98 1ddx h PRO 2040N -1.32 0.19 -6.40 3.52 0.13 -1.89 -3.43 132.00 122.80 1ddx h PRO 2040Ca -0.60 -0.01 -0.53 0.00 -0.87 0.00 0.00 66.00 63.98 1ddx h PRO 2040Cb 1.39 -0.04 0.02 0.00 0.13 0.00 0.00 31.00 32.49 1ddx h PRO 2040CO 0.81 0.13 1.13 0.00 -0.23 0.00 0.00 178.00 179.83 1ddx s GLN 2042N 3.53 2.82 -1.15 0.00 -1.52 0.32 -4.50 119.66 119.17 1ddx s GLN 2042Ca 0.81 -1.26 -0.19 0.00 -1.95 0.00 0.00 55.36 52.77 1ddx s GLN 2042Cb -0.41 -2.69 -0.01 0.00 -0.22 0.00 0.00 33.01 29.68 1ddx s GLN 2042CO 0.36 -0.19 0.79 0.09 -0.25 0.00 0.00 175.29 176.09 1ddx n ASN 2043N -1.74 -5.13 -0.12 5.90 3.02 -1.26 -1.20 115.26 114.73 1ddx n ASN 2043Ca 0.06 -1.00 -0.02 0.00 -0.03 0.00 0.00 54.58 53.59 1ddx n ASN 2043Cb 0.59 -3.45 -0.01 0.00 -0.61 0.00 0.00 39.78 36.30 1ddx n ASN 2043CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1ddx n ARG 2044N -4.16 -1.89 -0.83 3.52 5.12 -1.26 -4.80 116.66 112.36 1ddx n ARG 2044Ca -0.10 0.54 -0.30 0.00 -1.93 0.00 0.00 57.85 56.05 1ddx n ARG 2044Cb 0.60 -4.98 0.17 0.00 -1.16 0.00 0.00 32.46 27.09 1ddx n ARG 2044CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1ddx s GLY 2045N -2.06 1.65 -0.14 -0.13 0.00 -0.34 -4.95 107.32 101.35 1ddx s GLY 2045Ca 0.00 0.32 0.00 0.00 0.00 0.00 0.00 44.72 45.05 1ddx s GLY 2045CO 0.00 0.79 -0.15 1.85 0.00 0.00 0.00 173.10 175.59 1ddx s GLU 2046N -4.69 3.26 -0.04 2.90 2.12 -1.14 -4.75 118.70 116.36 1ddx s GLU 2046Ca 0.66 -0.74 -0.19 0.00 0.36 0.00 0.00 54.97 55.06 1ddx s GLU 2046Cb -0.22 -2.60 -0.05 0.00 0.26 0.00 0.00 34.13 31.52 1ddx s GLU 2046CO 0.59 0.10 0.54 0.00 -0.54 0.00 0.00 175.26 175.94 1ddx s MET 2048N -0.09 0.53 -0.78 0.00 0.00 0.19 -4.92 119.30 114.23 1ddx s MET 2048Ca 0.29 -0.01 -0.25 0.00 0.00 0.00 0.00 55.69 55.71 1ddx s MET 2048Cb -0.17 -0.62 -0.04 0.00 0.00 0.00 0.00 34.83 34.00 1ddx s MET 2048CO 0.15 -0.10 1.95 -1.54 0.00 0.00 0.00 175.02 175.48 1ddx s SER 2049N 0.90 5.12 -0.26 1.11 1.04 -1.26 0.73 113.70 121.08 1ddx s SER 2049Ca -0.10 -0.23 -0.04 0.00 0.48 0.00 0.00 55.95 56.06 1ddx s SER 2049Cb -0.13 -2.55 -0.04 0.00 0.10 0.00 0.00 66.02 63.40 1ddx s SER 2049CO -0.01 -2.66 2.97 0.35 0.98 0.00 0.00 173.24 174.87 1ddx n THR 2050N 7.67 3.10 0.00 2.02 -2.24 -0.94 -4.86 114.28 119.03 1ddx n THR 2050Ca 0.33 -2.23 0.00 0.00 -2.27 0.00 0.00 64.05 59.88 1ddx n THR 2050Cb 0.49 -1.71 0.00 0.00 -2.10 0.00 0.00 70.33 67.01 1ddx n THR 2050CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ddx n GLY 2051N 1.43 3.19 0.22 3.38 0.00 -1.25 -4.66 105.19 107.50 1ddx n GLY 2051Ca 0.43 -1.91 -0.01 0.00 0.00 0.00 0.00 46.02 44.53 1ddx n GLY 2051CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1ddx h PHE 2052N 0.00 -0.15 -0.93 1.61 -1.00 -1.97 -3.15 116.94 111.35 1ddx h PHE 2052Ca 0.00 0.05 -0.49 0.00 2.81 0.00 0.00 57.97 60.33 1ddx h PHE 2052Cb 0.00 0.16 -0.42 0.00 3.61 0.00 0.00 35.95 39.30 1ddx h PHE 2052CO 0.00 -0.19 -0.88 -0.25 -1.61 0.00 0.00 178.31 175.38 1ddx n ASP 2053N -5.32 3.98 -3.74 2.17 8.00 -1.26 -4.38 116.55 116.00 1ddx n ASP 2053Ca 0.07 -3.36 -0.10 0.00 0.71 0.00 0.00 54.79 52.11 1ddx n ASP 2053Cb 0.32 -0.41 -0.06 0.00 -0.02 0.00 0.00 41.12 40.94 1ddx n ASP 2053CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ddx s GLN 2054N -3.57 0.90 0.22 -1.24 -2.07 -1.19 -4.97 119.66 107.74 1ddx s GLN 2054Ca 0.44 -0.69 0.03 0.00 -1.82 0.00 0.00 55.36 53.32 1ddx s GLN 2054Cb 0.40 0.39 -0.01 0.00 -1.09 0.00 0.00 33.01 32.69 1ddx s GLN 2054CO -0.04 -0.31 0.22 2.48 -1.32 0.00 0.00 175.29 176.32 1ddx n TYR 2055N 0.15 -0.68 -3.66 9.60 0.18 -1.26 -2.21 117.16 119.27 1ddx n TYR 2055Ca -0.17 -1.71 -0.15 0.00 1.88 0.00 0.00 57.90 57.75 1ddx n TYR 2055Cb 0.62 0.24 -0.08 0.00 -0.38 0.00 0.00 39.34 39.73 1ddx n TYR 2055CO 0.00 0.00 0.00 0.21 -2.08 0.00 0.00 176.86 174.99 1ddx s LYS 2056N -2.76 0.76 -0.17 -3.48 2.47 0.22 -4.55 119.74 112.23 1ddx s LYS 2056Ca 0.24 0.29 -0.03 0.00 -1.56 0.00 0.00 55.97 54.91 1ddx s LYS 2056Cb 0.01 0.36 -0.02 0.00 -1.46 0.00 0.00 37.83 36.71 1ddx s LYS 2056CO 0.17 -0.18 -0.05 0.00 0.16 0.00 0.00 175.35 175.45 1ddx n ASP 2058N 3.89 5.41 -3.49 0.00 2.03 0.21 -4.84 116.55 119.76 1ddx n ASP 2058Ca -0.18 -3.07 -0.40 0.00 0.52 0.00 0.00 54.79 51.66 1ddx n ASP 2058Cb 0.52 -1.47 -0.02 0.00 -0.72 0.00 0.00 41.12 39.43 1ddx n ASP 2058CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ddx s THR 2060N 2.59 5.31 -0.86 0.00 2.01 -1.26 -4.12 115.64 119.30 1ddx s THR 2060Ca 0.60 0.27 0.00 0.00 0.31 0.00 0.00 61.69 62.87 1ddx s THR 2060Cb 0.16 -3.55 0.00 0.00 0.01 0.00 0.00 72.50 69.12 1ddx s THR 2060CO -0.07 0.28 0.00 0.54 -0.69 0.00 0.00 174.62 174.68 1ddx n ARG 2061N 4.69 -1.73 -0.03 4.92 1.74 -1.26 -4.82 116.66 120.17 1ddx n ARG 2061Ca -0.13 0.78 -0.15 0.00 -0.77 0.00 0.00 57.85 57.57 1ddx n ARG 2061Cb 0.52 -5.19 -0.12 0.00 -1.02 0.00 0.00 32.46 26.64 1ddx n ARG 2061CO 0.00 0.00 0.00 1.79 -1.52 0.00 0.00 177.63 177.90 1ddx h THR 2062N 0.00 1.62 0.00 0.55 1.35 -1.88 -3.48 112.91 111.07 1ddx h THR 2062Ca -0.17 -2.09 0.00 0.00 -0.55 0.00 0.00 66.41 63.60 1ddx h THR 2062Cb 1.11 2.99 0.00 0.00 -1.73 0.00 0.00 68.15 70.52 1ddx h THR 2062CO 0.24 0.56 0.00 0.61 -0.25 0.00 0.00 175.52 176.69 1ddx n GLY 2063N 1.25 1.18 3.00 5.82 0.00 -1.26 -5.04 105.19 110.13 1ddx n GLY 2063Ca -0.10 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.80 1ddx n GLY 2063CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ddx s PHE 2064N -2.00 -0.07 0.00 1.61 0.40 -1.26 -1.14 117.98 115.52 1ddx s PHE 2064Ca 0.00 0.17 0.00 0.00 -0.60 0.00 0.00 56.93 56.50 1ddx s PHE 2064Cb 0.00 0.01 0.00 0.00 0.51 0.00 0.00 43.02 43.54 1ddx s PHE 2064CO 0.00 -0.09 0.00 2.48 0.70 0.00 0.00 175.22 178.31 1ddx n TYR 2065N 2.73 0.00 -0.53 0.36 -0.00 0.50 -4.65 117.16 115.57 1ddx n TYR 2065Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.76 1ddx n TYR 2065Cb 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.93 1ddx n TYR 2065CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1ddx n GLY 2066N 5.00 -3.29 0.49 -7.48 0.00 -1.26 -1.25 105.19 97.40 1ddx n GLY 2066Ca 0.00 -1.12 0.29 0.00 0.00 0.00 0.00 46.02 45.19 1ddx n GLY 2066CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1ddx h GLU 2067N 0.16 0.00 -0.27 1.61 4.81 -1.98 -0.18 114.58 118.73 1ddx h GLU 2067Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1ddx h GLU 2067Cb 0.26 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.64 1ddx h GLU 2067CO 0.00 0.00 0.00 0.09 -0.73 0.00 0.00 179.01 178.37 1ddx n ASN 2068N -3.86 2.69 -2.26 1.04 3.02 -1.26 -4.15 115.26 110.48 1ddx n ASN 2068Ca 0.19 -1.91 -0.14 0.00 -0.03 0.00 0.00 54.58 52.70 1ddx n ASN 2068Cb 1.09 -0.18 0.05 0.00 -0.61 0.00 0.00 39.78 40.13 1ddx n ASN 2068CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ddx n THR 2070N -3.90 1.45 -1.68 0.00 -2.24 -0.38 -4.43 114.28 103.10 1ddx n THR 2070Ca 0.00 0.13 -0.54 0.00 -2.27 0.00 0.00 64.05 61.37 1ddx n THR 2070Cb 0.54 -2.21 -0.06 0.00 -2.10 0.00 0.00 70.33 66.49 1ddx n THR 2070CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1ddx n THR 2071N -4.31 0.40 -2.44 4.28 -1.04 -1.21 -4.69 114.28 105.27 1ddx n THR 2071Ca -0.15 -0.09 -0.24 0.00 -2.04 0.00 0.00 64.05 61.53 1ddx n THR 2071Cb 0.49 -1.49 0.05 0.00 -1.82 0.00 0.00 70.33 67.56 1ddx n THR 2071CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1ddx s PRO 2072N 3.96 2.44 0.45 -2.82 0.04 -1.26 0.19 135.00 138.00 1ddx s PRO 2072Ca 0.97 -0.46 0.08 0.00 0.04 0.00 0.00 61.00 61.63 1ddx s PRO 2072Cb -0.92 -2.33 0.02 0.00 0.04 0.00 0.00 34.50 31.31 1ddx s PRO 2072CO 0.60 -0.93 0.61 -1.21 0.04 0.00 0.00 177.00 176.11 1ddx s GLU 2073N -4.99 2.74 0.00 4.56 2.02 -0.30 -4.79 118.70 117.94 1ddx s GLU 2073Ca 0.58 -1.27 -0.00 0.00 0.02 0.00 0.00 54.97 54.30 1ddx s GLU 2073Cb -0.11 -2.73 -0.00 0.00 0.10 0.00 0.00 34.13 31.39 1ddx s GLU 2073CO 0.42 -0.38 1.00 0.35 0.02 0.00 0.00 175.26 176.67 1ddx h PHE 2074N 0.55 -0.00 -1.41 1.61 3.57 -1.99 -2.20 116.94 117.06 1ddx h PHE 2074Ca -0.39 -0.00 0.42 0.00 3.53 0.00 0.00 57.97 61.53 1ddx h PHE 2074Cb 1.28 0.00 -0.08 0.00 2.79 0.00 0.00 35.95 39.94 1ddx h PHE 2074CO 0.40 -0.00 0.98 1.25 -2.23 0.00 0.00 178.31 178.71 1ddx h LEU 2075N -0.00 0.12 0.19 0.59 5.85 -1.97 1.21 115.31 121.29 1ddx h LEU 2075Ca -0.00 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.77 1ddx h LEU 2075Cb 0.00 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 1ddx h LEU 2075CO 0.00 -0.03 -0.27 0.74 -0.34 0.00 0.00 178.44 178.54 1ddx h THR 2076N 0.07 0.42 0.16 1.05 2.02 -1.76 0.31 112.91 115.19 1ddx h THR 2076Ca 0.73 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.91 1ddx h THR 2076Cb 2.64 0.42 -0.02 0.00 -1.74 0.00 0.00 68.15 69.45 1ddx h THR 2076CO -0.14 0.00 -0.32 0.03 0.37 0.00 0.00 175.52 175.46 1ddx h ARG 2077N -0.52 -0.50 -0.82 6.66 3.08 0.21 0.76 114.38 123.24 1ddx h ARG 2077Ca 0.01 0.03 0.24 0.00 0.07 0.00 0.00 59.98 60.33 1ddx h ARG 2077Cb 0.51 0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.64 1ddx h ARG 2077CO -0.10 -0.34 0.60 0.82 -1.07 0.00 0.00 179.97 179.88 1ddx h ILE 2078N -0.52 0.56 -0.33 2.04 1.08 -1.28 0.51 117.51 119.56 1ddx h ILE 2078Ca -0.02 0.00 -0.17 0.00 -0.39 0.00 0.00 64.86 64.28 1ddx h ILE 2078Cb 0.49 0.58 -0.00 0.00 -3.07 0.00 0.00 36.82 34.82 1ddx h ILE 2078CO -0.13 0.00 -0.48 0.11 -0.69 0.00 0.00 178.15 176.97 1ddx h LYS 2079N 0.00 0.89 0.07 2.37 1.57 0.10 -3.22 116.57 118.35 1ddx h LYS 2079Ca 0.39 -0.52 -0.26 0.00 -1.87 0.00 0.00 60.65 58.39 1ddx h LYS 2079Cb 1.59 0.04 0.01 0.00 0.08 0.00 0.00 32.23 33.95 1ddx h LYS 2079CO -0.00 1.16 -1.10 -0.07 -0.57 0.00 0.00 179.45 178.86 1ddx h LEU 2080N 0.70 0.56 -2.76 2.94 3.38 0.21 -3.04 115.31 117.30 1ddx h LEU 2080Ca 0.03 -0.51 -0.03 0.00 0.09 0.00 0.00 57.88 57.46 1ddx h LEU 2080Cb 1.08 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.63 1ddx h LEU 2080CO 0.11 1.34 0.04 0.18 0.09 0.00 0.00 178.44 180.20 1ddx n LEU 2081N -3.68 4.78 -0.09 1.67 4.77 0.11 -0.94 117.00 123.61 1ddx n LEU 2081Ca -0.09 -2.23 0.00 0.00 -0.03 0.00 0.00 56.01 53.66 1ddx n LEU 2081Cb 0.93 -0.94 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 1ddx n LEU 2081CO 0.53 0.88 0.04 0.18 -1.33 0.00 0.00 177.39 177.70 1ddx n LEU 2082N 1.07 0.00 -4.22 2.23 4.77 -1.21 -4.94 117.00 114.70 1ddx n LEU 2082Ca 0.03 -0.51 -0.41 0.00 -0.03 0.00 0.00 56.01 55.09 1ddx n LEU 2082Cb 0.53 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.53 1ddx n LEU 2082CO 0.04 0.56 -0.02 -0.75 -1.33 0.00 0.00 177.39 175.89 1ddx s LYS 2083N 0.00 2.50 0.18 3.23 2.20 -0.12 -5.04 119.74 122.69 1ddx s LYS 2083Ca 0.00 -1.73 -0.30 0.00 -0.36 0.00 0.00 55.97 53.57 1ddx s LYS 2083Cb 0.00 -3.92 -0.08 0.00 -1.51 0.00 0.00 37.83 32.32 1ddx s LYS 2083CO 0.00 -1.18 1.22 -1.25 -0.36 0.00 0.00 175.35 173.78 1ddx s PRO 2084N 1.38 4.47 0.40 4.03 0.04 -1.26 -4.99 135.00 139.06 1ddx s PRO 2084Ca 0.05 1.90 -0.26 0.00 0.04 0.00 0.00 61.00 62.73 1ddx s PRO 2084Cb -0.26 -3.24 -0.11 0.00 0.04 0.00 0.00 34.50 30.93 1ddx s PRO 2084CO -0.00 -0.13 1.20 0.25 0.04 0.00 0.00 177.00 178.35 1ddx n THR 2085N 2.67 2.39 -0.32 1.26 -2.24 -1.26 -4.75 114.28 112.01 1ddx n THR 2085Ca 0.05 -0.50 0.13 0.00 -2.27 0.00 0.00 64.05 61.46 1ddx n THR 2085Cb 0.44 -1.44 0.35 0.00 -2.10 0.00 0.00 70.33 67.59 1ddx n THR 2085CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1ddx h PRO 2086N 2.05 0.71 -0.39 -0.78 0.13 -1.95 0.14 132.00 131.91 1ddx h PRO 2086Ca -0.46 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 64.61 1ddx h PRO 2086Cb 1.30 -0.16 -0.02 0.00 0.13 0.00 0.00 31.00 32.26 1ddx h PRO 2086CO 0.60 0.47 0.19 -0.91 -0.23 0.00 0.00 178.00 178.11 1ddx h ASN 2087N 0.73 0.51 0.18 1.44 2.35 -1.98 0.73 115.58 119.54 1ddx h ASN 2087Ca 0.53 -0.13 0.00 0.00 -0.55 0.00 0.00 56.30 56.16 1ddx h ASN 2087Cb 0.87 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 39.08 1ddx h ASN 2087CO -0.30 0.49 -0.35 0.74 -1.65 0.00 0.00 177.43 176.36 1ddx h THR 2088N 0.49 0.00 0.01 2.81 2.02 -1.11 0.14 112.91 117.26 1ddx h THR 2088Ca 0.13 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.33 1ddx h THR 2088Cb 0.12 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 66.48 1ddx h THR 2088CO -0.02 0.00 -0.49 0.58 0.37 0.00 0.00 175.52 175.96 1ddx h VAL 2089N -0.57 0.00 -0.97 3.16 2.07 -0.96 0.88 116.25 119.85 1ddx h VAL 2089Ca -0.02 0.00 0.25 0.00 0.82 0.00 0.00 66.70 67.75 1ddx h VAL 2089Cb 0.54 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 30.13 1ddx h VAL 2089CO -0.14 0.00 -0.06 1.57 0.02 0.00 0.00 177.57 178.96 1ddx n HIS 2090N -5.21 0.54 0.05 1.57 -0.00 0.25 0.62 115.22 113.04 1ddx n HIS 2090Ca -0.07 1.18 -0.03 0.00 -0.00 0.00 0.00 57.72 58.80 1ddx n HIS 2090Cb 0.37 -1.18 -0.02 0.00 -0.00 0.00 0.00 29.99 29.15 1ddx n HIS 2090CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 176.34 175.42 1ddx h TYR 2091N 0.00 -0.28 -1.25 1.57 3.20 0.16 -0.62 116.97 119.75 1ddx h TYR 2091Ca 0.55 0.00 0.36 0.00 3.14 0.00 0.00 58.73 62.79 1ddx h TYR 2091Cb 1.07 0.11 -0.06 0.00 1.54 0.00 0.00 36.73 39.38 1ddx h TYR 2091CO -0.57 -0.13 0.88 -0.84 -1.64 0.00 0.00 178.16 175.86 1ddx h ILE 2092N -0.19 0.37 -0.15 1.81 -2.65 0.16 0.70 117.51 117.57 1ddx h ILE 2092Ca -0.01 -0.02 -0.13 0.00 1.03 0.00 0.00 64.86 65.73 1ddx h ILE 2092Cb 0.17 0.30 -0.01 0.00 -2.05 0.00 0.00 36.82 35.22 1ddx h ILE 2092CO -0.02 0.01 -0.47 -0.07 0.03 0.00 0.00 178.15 177.63 1ddx h LEU 2093N 0.07 0.40 -2.44 0.16 -0.00 0.11 -3.18 115.31 110.43 1ddx h LEU 2093Ca 0.62 -0.19 0.00 0.00 -0.00 0.00 0.00 57.88 58.31 1ddx h LEU 2093Cb 2.31 -0.11 0.00 0.00 -0.00 0.00 0.00 40.66 42.86 1ddx h LEU 2093CO -0.08 0.82 0.00 0.35 -0.00 0.00 0.00 178.44 179.53 1ddx n THR 2094N -3.98 0.76 -2.72 0.22 -2.24 0.24 -0.38 114.28 106.18 1ddx n THR 2094Ca -0.02 -0.85 0.00 0.00 -2.27 0.00 0.00 64.05 60.91 1ddx n THR 2094Cb 0.54 0.64 0.00 0.00 -2.10 0.00 0.00 70.33 69.41 1ddx n THR 2094CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1ddx n HIS 2095N 1.50 0.00 -1.50 4.78 8.25 -0.67 -4.80 115.22 122.78 1ddx n HIS 2095Ca 0.22 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.68 1ddx n HIS 2095Cb 0.59 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.70 1ddx n HIS 2095CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1ddx n PHE 2096N 0.00 -1.28 -0.13 4.41 3.01 -1.26 -4.68 117.46 117.53 1ddx n PHE 2096Ca 0.00 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.58 1ddx n PHE 2096Cb 0.00 -0.88 0.22 0.00 -0.01 0.00 0.00 39.48 38.82 1ddx n PHE 2096CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 1ddx n LYS 2097N -1.48 -0.03 0.25 -1.08 4.81 -1.26 0.15 118.16 119.52 1ddx n LYS 2097Ca 0.00 0.58 -0.16 0.00 -0.87 0.00 0.00 58.31 57.85 1ddx n LYS 2097Cb 0.20 -1.01 -0.08 0.00 0.02 0.00 0.00 35.03 34.15 1ddx n LYS 2097CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 1ddx h GLY 2098N 0.00 -0.93 0.55 3.14 0.00 -2.00 0.52 103.07 104.34 1ddx h GLY 2098Ca 0.33 0.45 0.04 0.00 0.00 0.00 0.00 47.33 48.15 1ddx h GLY 2098CO -0.33 -0.32 -0.12 -2.08 0.00 0.00 0.00 176.54 173.69 1ddx h VAL 2099N -0.81 0.67 -0.86 4.60 2.07 0.10 -0.19 116.25 121.83 1ddx h VAL 2099Ca -0.03 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.70 1ddx h VAL 2099Cb 0.72 0.67 -0.06 0.00 -1.52 0.00 0.00 31.29 31.10 1ddx h VAL 2099CO -0.06 0.00 0.59 -0.50 0.02 0.00 0.00 177.57 177.62 1ddx h TRP 2100N -0.14 0.37 -0.37 1.57 -0.00 -1.16 0.77 115.95 116.99 1ddx h TRP 2100Ca 0.09 0.01 -0.09 0.00 -0.00 0.00 0.00 58.89 58.90 1ddx h TRP 2100Cb 0.27 -0.11 -0.02 0.00 -0.00 0.00 0.00 29.16 29.30 1ddx h TRP 2100CO -0.24 0.10 -0.15 -0.97 -0.00 0.00 0.00 178.44 177.19 1ddx h ASN 2101N 0.28 0.66 0.54 -3.49 -1.24 0.94 0.11 115.58 113.38 1ddx h ASN 2101Ca 0.44 -0.20 -0.03 0.00 0.71 0.00 0.00 56.30 57.22 1ddx h ASN 2101Cb 1.27 -0.18 0.01 0.00 0.73 0.00 0.00 38.32 40.14 1ddx h ASN 2101CO -0.12 0.83 -0.26 0.40 -1.29 0.00 0.00 177.43 176.99 1ddx h ILE 2102N 0.61 0.45 -0.75 2.57 2.04 0.11 -3.12 117.51 119.41 1ddx h ILE 2102Ca 0.10 -0.15 -0.03 0.00 1.00 0.00 0.00 64.86 65.78 1ddx h ILE 2102Cb 0.60 0.51 -0.03 0.00 -0.74 0.00 0.00 36.82 37.16 1ddx h ILE 2102CO 0.04 0.02 0.36 0.58 0.00 0.00 0.00 178.15 179.15 1ddx h VAL 2103N -0.82 1.24 0.00 1.67 2.07 -1.30 -2.63 116.25 116.48 1ddx h VAL 2103Ca -0.07 -0.69 0.00 0.00 0.82 0.00 0.00 66.70 66.75 1ddx h VAL 2103Cb 0.59 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 1ddx h VAL 2103CO 0.12 0.29 0.00 0.59 0.02 0.00 0.00 177.57 178.60 1ddx n ASN 2104N -4.38 0.00 -0.10 0.57 4.13 0.36 -0.04 115.26 115.80 1ddx n ASN 2104Ca 0.07 0.01 0.01 0.00 1.68 0.00 0.00 54.58 56.35 1ddx n ASN 2104Cb 0.14 -0.01 0.01 0.00 -1.54 0.00 0.00 39.78 38.38 1ddx n ASN 2104CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1ddx n ASN 2105N -0.87 0.79 -3.93 6.41 3.02 -0.99 -4.90 115.26 114.78 1ddx n ASN 2105Ca 0.00 -1.67 -0.30 0.00 -0.03 0.00 0.00 54.58 52.58 1ddx n ASN 2105Cb 0.00 -0.08 -0.10 0.00 -0.61 0.00 0.00 39.78 38.99 1ddx n ASN 2105CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1ddx n ILE 2105N -0.29 2.02 0.00 2.41 2.08 0.94 -5.02 119.36 121.51 1ddx n ILE 2105Ca 0.02 -4.95 0.00 0.00 0.56 0.00 0.00 62.75 58.37 1ddx n ILE 2105Cb 0.48 -2.23 0.00 0.00 -0.75 0.00 0.00 39.64 37.14 1ddx n ILE 2105CO 0.00 0.00 0.00 -2.65 0.56 0.00 0.00 176.55 174.46 1ddx n PRO 2106N 1.98 0.00 -0.24 0.38 -0.02 -1.26 0.18 135.00 136.02 1ddx n PRO 2106Ca 0.21 0.03 0.05 0.00 -2.02 0.00 0.00 63.50 61.77 1ddx n PRO 2106Cb 0.36 -0.05 0.17 0.00 -0.02 0.00 0.00 33.50 33.96 1ddx n PRO 2106CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1ddx h PHE 2107N 0.00 0.19 0.66 6.00 -5.15 -1.95 -0.41 116.94 116.28 1ddx h PHE 2107Ca 0.00 0.04 -0.03 0.00 -0.20 0.00 0.00 57.97 57.79 1ddx h PHE 2107Cb 0.00 0.03 -0.01 0.00 0.22 0.00 0.00 35.95 36.19 1ddx h PHE 2107CO -0.03 -0.12 -0.46 -0.07 -2.00 0.00 0.00 178.31 175.64 1ddx h LEU 2108N 0.22 -1.19 -0.41 2.10 3.38 0.16 0.72 115.31 120.30 1ddx h LEU 2108Ca 0.40 0.07 0.04 0.00 0.09 0.00 0.00 57.88 58.49 1ddx h LEU 2108Cb 0.69 0.36 -0.07 0.00 0.09 0.00 0.00 40.66 41.73 1ddx h LEU 2108CO -0.53 -0.67 -0.45 -0.09 0.09 0.00 0.00 178.44 176.79 1ddx h ARG 2109N -1.06 -0.25 -0.02 1.13 2.43 -0.16 0.71 114.38 117.16 1ddx h ARG 2109Ca -0.09 0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.13 1ddx h ARG 2109Cb 0.87 0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 30.42 1ddx h ARG 2109CO 0.05 -0.17 -0.41 0.77 -1.51 0.00 0.00 179.97 178.71 1ddx h SER 2110N -0.26 -1.25 -1.01 -3.80 0.02 -1.03 0.24 113.55 106.46 1ddx h SER 2110Ca 0.07 0.16 0.41 0.00 -0.84 0.00 0.00 61.79 61.59 1ddx h SER 2110Cb 0.45 0.49 -0.18 0.00 0.14 0.00 0.00 62.40 63.30 1ddx h SER 2110CO -0.52 -0.45 0.55 0.25 -1.14 0.00 0.00 176.83 175.52 1ddx h LEU 2111N -0.55 0.33 0.05 5.07 5.85 0.19 0.45 115.31 126.70 1ddx h LEU 2111Ca 0.05 0.25 -0.00 0.00 0.84 0.00 0.00 57.88 59.02 1ddx h LEU 2111Cb 0.64 0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.93 1ddx h LEU 2111CO -0.32 -0.41 -0.02 0.40 -0.34 0.00 0.00 178.44 177.74 1ddx h ILE 2112N 0.03 0.00 -0.93 4.05 1.08 0.15 -2.26 117.51 119.62 1ddx h ILE 2112Ca 0.84 -0.13 0.39 0.00 -0.39 0.00 0.00 64.86 65.57 1ddx h ILE 2112Cb 2.22 0.00 -0.16 0.00 -3.07 0.00 0.00 36.82 35.81 1ddx h ILE 2112CO -0.75 0.00 0.51 0.80 -0.69 0.00 0.00 178.15 178.02 1ddx n MET 2113N -2.54 -0.05 0.35 2.37 1.56 0.58 0.23 117.12 119.60 1ddx n MET 2113Ca -0.01 1.26 -0.16 0.00 -0.27 0.00 0.00 57.70 58.52 1ddx n MET 2113Cb 0.03 -2.27 -0.08 0.00 2.15 0.00 0.00 33.22 33.05 1ddx n MET 2113CO 0.00 0.00 0.00 -0.22 -0.73 0.00 0.00 175.97 175.02 1ddx h LYS 2114N 0.00 -0.87 -0.80 2.12 3.64 -0.24 0.38 116.57 120.81 1ddx h LYS 2114Ca 0.78 0.06 0.18 0.00 -1.27 0.00 0.00 60.65 60.40 1ddx h LYS 2114Cb 2.09 0.20 -0.15 0.00 -0.41 0.00 0.00 32.23 33.96 1ddx h LYS 2114CO -0.69 -0.54 -0.07 -0.92 -2.27 0.00 0.00 179.45 174.95 1ddx h TYR 2115N -1.12 -0.19 -0.37 1.91 3.20 0.34 0.96 116.97 121.71 1ddx h TYR 2115Ca -0.09 0.06 0.01 0.00 3.14 0.00 0.00 58.73 61.85 1ddx h TYR 2115Cb 0.72 0.21 -0.02 0.00 1.54 0.00 0.00 36.73 39.19 1ddx h TYR 2115CO -0.00 -0.30 0.24 -0.39 -1.64 0.00 0.00 178.16 176.06 1ddx h VAL 2116N 0.05 1.08 0.29 1.81 -1.51 0.08 0.87 116.25 118.92 1ddx h VAL 2116Ca 0.42 -0.17 0.00 0.00 -1.23 0.00 0.00 66.70 65.73 1ddx h VAL 2116Cb 0.73 0.56 -0.03 0.00 -2.13 0.00 0.00 31.29 30.41 1ddx h VAL 2116CO -0.75 0.09 -0.45 -0.07 -1.23 0.00 0.00 177.57 175.15 1ddx h LEU 2117N 0.48 -1.29 -1.29 4.19 -0.00 0.50 -2.49 115.31 115.41 1ddx h LEU 2117Ca 0.14 0.12 -0.04 0.00 -0.00 0.00 0.00 57.88 58.10 1ddx h LEU 2117Cb -0.05 0.46 -0.02 0.00 -0.00 0.00 0.00 40.66 41.05 1ddx h LEU 2117CO -0.04 -0.56 0.06 0.71 -0.00 0.00 0.00 178.44 178.62 1ddx h THR 2118N -0.80 1.18 -0.38 0.22 1.35 0.26 -2.85 112.91 111.89 1ddx h THR 2118Ca -0.02 -0.67 0.08 0.00 -0.55 0.00 0.00 66.41 65.26 1ddx h THR 2118Cb 0.76 0.83 -0.08 0.00 -1.73 0.00 0.00 68.15 67.93 1ddx h THR 2118CO -0.16 0.24 -0.16 0.77 -0.25 0.00 0.00 175.52 175.96 1ddx h SER 2119N 0.53 -0.56 0.00 5.36 4.64 0.12 -3.28 113.55 120.37 1ddx h SER 2119Ca 0.12 0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 1ddx h SER 2119Cb 0.25 0.31 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 1ddx h SER 2119CO 0.00 -0.20 0.00 0.54 -0.87 0.00 0.00 176.83 176.30 1ddx n ARG 2120N -5.35 0.00 0.00 4.77 5.12 -1.10 -4.46 116.66 115.64 1ddx n ARG 2120Ca 0.02 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.94 1ddx n ARG 2120Cb 0.26 -0.37 0.00 0.00 -1.16 0.00 0.00 32.46 31.19 1ddx n ARG 2120CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 1ddx n SER 2121N -0.06 0.00 -0.05 0.55 7.64 -1.09 -1.92 113.62 118.69 1ddx n SER 2121Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1ddx n SER 2121Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1ddx n SER 2121CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ddx n TYR 2122N 0.00 0.00 -0.12 1.43 0.18 -1.26 -2.94 117.16 114.45 1ddx n TYR 2122Ca 0.00 0.00 -0.24 0.00 1.88 0.00 0.00 57.90 59.54 1ddx n TYR 2122Cb 0.00 0.00 -0.09 0.00 -0.38 0.00 0.00 39.34 38.87 1ddx n TYR 2122CO 0.00 0.00 0.00 -0.11 -2.08 0.00 0.00 176.86 174.67 1ddx n LEU 2123N -0.23 1.92 -4.74 -3.48 7.94 -0.81 -5.01 117.00 112.58 1ddx n LEU 2123Ca 0.00 0.38 -0.32 0.00 -1.11 0.00 0.00 56.01 54.96 1ddx n LEU 2123Cb 0.00 -0.86 0.10 0.00 0.53 0.00 0.00 43.42 43.19 1ddx n LEU 2123CO 0.00 0.34 0.71 -0.63 -1.11 0.00 0.00 177.39 176.70 1ddx s ILE 2124N -2.49 2.90 -1.14 1.96 -1.09 -1.15 -4.97 121.20 115.21 1ddx s ILE 2124Ca -0.33 0.33 -0.06 0.00 -2.23 0.00 0.00 60.65 58.35 1ddx s ILE 2124Cb 0.10 -2.72 0.26 0.00 -1.58 0.00 0.00 42.46 38.52 1ddx s ILE 2124CO 0.50 -0.34 1.54 0.47 -1.23 0.00 0.00 174.94 175.88 1ddx n ASP 2125N -3.39 5.93 -4.39 3.58 8.00 -1.26 -4.98 116.55 120.04 1ddx n ASP 2125Ca 0.10 -3.27 -0.34 0.00 0.71 0.00 0.00 54.79 51.99 1ddx n ASP 2125Cb 0.52 -1.35 -0.14 0.00 -0.02 0.00 0.00 41.12 40.13 1ddx n ASP 2125CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1ddx s SER 2126N -0.53 4.29 0.54 -2.24 0.15 -1.26 -1.71 113.70 112.94 1ddx s SER 2126Ca 0.34 -0.29 -0.21 0.00 0.70 0.00 0.00 55.95 56.49 1ddx s SER 2126Cb 0.04 -1.69 -0.05 0.00 -1.71 0.00 0.00 66.02 62.61 1ddx s SER 2126CO 0.06 0.12 1.28 -2.16 1.20 0.00 0.00 173.24 173.74 1ddx s PRO 2127N 0.63 3.21 0.70 5.44 0.04 -1.26 -4.95 135.00 138.81 1ddx s PRO 2127Ca -0.05 2.04 -0.18 0.00 0.04 0.00 0.00 61.00 62.86 1ddx s PRO 2127Cb -0.15 -2.20 -0.14 0.00 0.04 0.00 0.00 34.50 32.05 1ddx s PRO 2127CO 0.03 -1.08 -0.35 -0.35 0.04 0.00 0.00 177.00 175.28 1ddx n PRO 2128N -1.07 0.01 0.00 0.56 -0.04 -0.69 -5.04 135.00 128.73 1ddx n PRO 2128Ca 0.11 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 1ddx n PRO 2128Cb 0.47 -1.04 0.00 0.00 -0.04 0.00 0.00 33.50 32.89 1ddx n PRO 2128CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1ddx n THR 2129N -1.93 0.00 -1.62 0.52 -2.24 -1.26 -4.77 114.28 102.99 1ddx n THR 2129Ca 0.04 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.53 1ddx n THR 2129Cb 0.51 0.00 0.14 0.00 -2.10 0.00 0.00 70.33 68.87 1ddx n THR 2129CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1ddx s TYR 2130N 1.28 2.42 0.12 4.78 1.51 -1.26 -4.23 117.35 121.97 1ddx s TYR 2130Ca 0.00 0.77 -0.03 0.00 -1.01 0.00 0.00 57.07 56.80 1ddx s TYR 2130Cb 0.00 -3.47 0.01 0.00 -0.11 0.00 0.00 41.96 38.39 1ddx s TYR 2130CO 0.00 -2.35 0.21 0.27 -1.11 0.00 0.00 175.55 172.57 1ddx n ASN 2131N -3.73 -0.60 -0.03 2.29 0.23 -0.90 -0.30 115.26 112.22 1ddx n ASN 2131Ca 0.08 -1.54 -0.01 0.00 -0.53 0.00 0.00 54.58 52.58 1ddx n ASN 2131Cb 0.60 1.04 -0.01 0.00 -2.08 0.00 0.00 39.78 39.33 1ddx n ASN 2131CO 0.00 0.00 0.00 0.58 -0.93 0.00 0.00 177.26 176.91 1ddx h VAL 2132N 1.32 0.00 0.00 3.53 2.07 -1.91 -2.21 116.25 119.05 1ddx h VAL 2132Ca -0.10 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.42 1ddx h VAL 2132Cb 0.38 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.15 1ddx h VAL 2132CO 0.13 0.00 0.00 1.41 0.02 0.00 0.00 177.57 179.13 1ddx n HIS 2133N -3.10 0.55 -4.09 1.57 8.25 -1.26 -4.63 115.22 112.51 1ddx n HIS 2133Ca 0.00 0.18 -0.32 0.00 -0.26 0.00 0.00 57.72 57.32 1ddx n HIS 2133Cb 0.02 -0.80 -0.15 0.00 1.12 0.00 0.00 29.99 30.18 1ddx n HIS 2133CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 1ddx s TYR 2134N -3.13 3.00 -0.99 4.41 1.51 -0.83 -4.93 117.35 116.39 1ddx s TYR 2134Ca 0.09 -1.98 0.24 0.00 -1.01 0.00 0.00 57.07 54.40 1ddx s TYR 2134Cb 0.12 -1.91 0.35 0.00 -0.11 0.00 0.00 41.96 40.41 1ddx s TYR 2134CO 0.46 -0.84 1.30 0.41 -1.11 0.00 0.00 175.55 175.77 1ddx n GLY 2135N 4.53 -1.20 3.55 0.71 0.00 -1.26 -2.12 105.19 109.40 1ddx n GLY 2135Ca -0.17 -0.40 -0.24 0.00 0.00 0.00 0.00 46.02 45.21 1ddx n GLY 2135CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1ddx s TYR 2136N -3.01 2.46 0.35 1.61 -0.85 -1.26 -4.89 117.35 111.76 1ddx s TYR 2136Ca 0.10 -0.32 -0.28 0.00 -0.52 0.00 0.00 57.07 56.06 1ddx s TYR 2136Cb 0.17 -1.14 -0.10 0.00 0.38 0.00 0.00 41.96 41.28 1ddx s TYR 2136CO 0.74 0.65 1.24 0.15 -1.52 0.00 0.00 175.55 176.80 1ddx s LYS 2137N -3.59 4.30 0.02 -3.49 3.01 -1.26 -4.74 119.74 113.99 1ddx s LYS 2137Ca 0.31 2.05 -0.19 0.00 -1.01 0.00 0.00 55.97 57.13 1ddx s LYS 2137Cb -0.05 -2.97 0.04 0.00 -1.01 0.00 0.00 37.83 33.85 1ddx s LYS 2137CO 0.17 -0.18 0.43 -1.54 0.51 0.00 0.00 175.35 174.75 1ddx s SER 2138N -0.73 -0.32 0.03 2.83 1.04 -1.26 -5.03 113.70 110.25 1ddx s SER 2138Ca 0.51 0.11 -0.26 0.00 0.48 0.00 0.00 55.95 56.78 1ddx s SER 2138Cb -0.36 0.42 -0.17 0.00 0.10 0.00 0.00 66.02 66.01 1ddx s SER 2138CO 0.47 -0.62 1.38 -0.25 0.98 0.00 0.00 173.24 175.19 1ddx h TRP 2139N 3.15 -0.41 -1.00 5.02 2.91 -1.98 -0.03 115.95 123.61 1ddx h TRP 2139Ca -0.30 -0.01 0.35 0.00 1.13 0.00 0.00 58.89 60.05 1ddx h TRP 2139Cb 1.19 0.14 -0.16 0.00 -0.51 0.00 0.00 29.16 29.82 1ddx h TRP 2139CO 0.42 -0.12 0.55 1.49 -1.03 0.00 0.00 178.44 179.75 1ddx h GLU 2140N -0.68 0.23 0.00 2.65 4.57 -1.98 0.81 114.58 120.18 1ddx h GLU 2140Ca -0.05 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.12 1ddx h GLU 2140Cb 0.48 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.02 1ddx h GLU 2140CO 0.08 0.15 0.00 0.00 -1.18 0.00 0.00 179.01 178.06 1ddx n ALA 2141N -2.30 0.00 -0.36 2.92 0.00 -0.81 -1.53 120.51 118.44 1ddx n ALA 2141Ca 0.33 0.00 0.34 0.00 0.00 0.00 0.00 53.44 54.11 1ddx n ALA 2141Cb 1.06 0.00 0.52 0.00 0.00 0.00 0.00 19.45 21.03 1ddx n ALA 2141CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1ddx n PHE 2142N -0.24 0.00 -0.04 0.00 7.35 -0.09 -2.33 117.46 122.12 1ddx n PHE 2142Ca 0.00 0.00 -0.01 0.00 -0.76 0.00 0.00 57.45 56.68 1ddx n PHE 2142Cb 0.00 -0.31 -0.00 0.00 0.35 0.00 0.00 39.48 39.51 1ddx n PHE 2142CO 0.00 0.00 0.00 0.66 -0.76 0.00 0.00 176.76 176.66 1ddx h SER 2143N 0.00 0.00 -1.38 -2.13 4.64 0.60 -3.47 113.55 111.81 1ddx h SER 2143Ca 0.59 0.00 -0.77 0.00 -0.47 0.00 0.00 61.79 61.14 1ddx h SER 2143Cb 2.95 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 65.06 1ddx h SER 2143CO -0.01 0.39 0.73 -3.20 -0.87 0.00 0.00 176.83 173.88 1ddx n ASN 2144N -3.78 1.83 -0.30 4.97 2.85 -0.58 -4.86 115.26 115.39 1ddx n ASN 2144Ca -0.02 1.12 0.11 0.00 -0.11 0.00 0.00 54.58 55.68 1ddx n ASN 2144Cb 0.08 -1.06 0.03 0.00 1.24 0.00 0.00 39.78 40.06 1ddx n ASN 2144CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1ddx n LEU 2145N 4.40 1.53 0.13 1.20 4.77 -1.26 -4.02 117.00 123.75 1ddx n LEU 2145Ca 0.26 -0.58 0.13 0.00 -0.03 0.00 0.00 56.01 55.79 1ddx n LEU 2145Cb 0.08 -0.03 0.31 0.00 -2.33 0.00 0.00 43.42 41.45 1ddx n LEU 2145CO 0.80 0.30 0.80 0.77 -1.33 0.00 0.00 177.39 178.73 1ddx h SER 2146N 1.47 0.00 -4.45 -1.43 4.64 -1.89 -3.44 113.55 108.46 1ddx h SER 2146Ca 0.00 -0.02 -0.47 0.00 -0.47 0.00 0.00 61.79 60.84 1ddx h SER 2146Cb 0.64 0.00 0.11 0.00 -0.31 0.00 0.00 62.40 62.84 1ddx h SER 2146CO 0.00 0.01 0.36 -0.31 -0.87 0.00 0.00 176.83 176.02 1ddx s TYR 2147N -3.14 2.76 -0.10 4.77 1.51 -1.26 0.98 117.35 122.87 1ddx s TYR 2147Ca 0.09 0.80 0.02 0.00 -1.01 0.00 0.00 57.07 56.98 1ddx s TYR 2147Cb 0.10 -3.44 -0.01 0.00 -0.11 0.00 0.00 41.96 38.50 1ddx s TYR 2147CO 0.63 -2.04 -0.17 0.71 -1.11 0.00 0.00 175.55 173.57 1ddx s TYR 2148N -3.44 2.69 0.64 2.71 2.02 0.11 -4.29 117.35 117.79 1ddx s TYR 2148Ca 0.63 -0.64 -0.13 0.00 -0.37 0.00 0.00 57.07 56.55 1ddx s TYR 2148Cb -0.13 -1.74 -0.01 0.00 -0.40 0.00 0.00 41.96 39.68 1ddx s TYR 2148CO 0.51 -0.18 1.06 -0.08 -1.57 0.00 0.00 175.55 175.29 1ddx s THR 2149N 0.06 3.88 -0.16 -0.71 -1.32 0.08 -4.26 115.64 113.21 1ddx s THR 2149Ca -0.07 0.76 0.01 0.00 -1.21 0.00 0.00 61.69 61.18 1ddx s THR 2149Cb -0.15 -3.37 0.02 0.00 -1.51 0.00 0.00 72.50 67.49 1ddx s THR 2149CO 0.05 -0.65 -0.16 -0.13 -2.21 0.00 0.00 174.62 171.51 1ddx s ARG 2150N -4.51 2.54 0.63 7.08 1.81 0.59 -0.22 118.95 126.87 1ddx s ARG 2150Ca 0.61 -0.65 0.31 0.00 -1.72 0.00 0.00 55.73 54.28 1ddx s ARG 2150Cb -0.15 -2.26 1.71 0.00 -0.45 0.00 0.00 34.95 33.80 1ddx s ARG 2150CO 0.45 -0.22 2.03 0.00 -0.68 0.00 0.00 175.30 176.88 1ddx h ALA 2151N 7.98 1.59 -3.54 2.13 0.00 -1.96 -3.39 119.26 122.07 1ddx h ALA 2151Ca -0.41 -0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.29 1ddx h ALA 2151Cb 1.14 0.01 -0.27 0.00 0.00 0.00 0.00 17.79 18.67 1ddx h ALA 2151CO 0.57 -0.35 -0.63 -0.51 0.00 0.00 0.00 179.25 178.33 1ddx s LEU 2152N -6.68 1.70 0.70 0.00 1.43 -1.26 -5.03 118.68 109.55 1ddx s LEU 2152Ca -0.04 0.16 -0.16 0.00 -1.03 0.00 0.00 54.13 53.05 1ddx s LEU 2152Cb 0.13 0.27 0.02 0.00 0.03 0.00 0.00 46.19 46.63 1ddx s LEU 2152CO 0.43 -0.03 1.25 -2.16 0.23 0.00 0.00 176.35 176.07 1ddx s PRO 2153N 0.04 2.26 0.00 1.29 0.04 -1.26 -4.91 135.00 132.45 1ddx s PRO 2153Ca -0.00 1.90 0.00 0.00 0.04 0.00 0.00 61.00 62.94 1ddx s PRO 2153Cb -0.01 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.70 1ddx s PRO 2153CO 0.00 -1.78 0.00 -0.35 0.04 0.00 0.00 177.00 174.91 1ddx n PRO 2154N -2.41 -0.23 -5.00 0.56 -0.04 -1.26 -4.65 135.00 121.97 1ddx n PRO 2154Ca 0.15 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.28 1ddx n PRO 2154Cb 0.49 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.80 1ddx n PRO 2154CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1ddx s VAL 2155N -0.71 2.62 -0.11 0.52 1.01 -1.14 -4.94 120.40 117.65 1ddx s VAL 2155Ca 0.00 -0.84 -0.40 0.00 0.00 0.00 0.00 61.98 60.75 1ddx s VAL 2155Cb 0.00 -2.04 -0.18 0.00 0.00 0.00 0.00 36.38 34.16 1ddx s VAL 2155CO 0.00 0.55 1.43 0.00 0.00 0.00 0.00 175.10 177.09 1ddx n ALA 2156N 3.24 -1.35 0.15 5.51 0.00 -1.26 -4.73 120.51 122.06 1ddx n ALA 2156Ca -0.18 0.50 0.06 0.00 0.00 0.00 0.00 53.44 53.82 1ddx n ALA 2156Cb 0.53 -2.03 0.33 0.00 0.00 0.00 0.00 19.45 18.27 1ddx n ALA 2156CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1ddx n ASP 2157N 3.32 0.31 0.05 0.00 8.00 -1.26 0.78 116.55 127.75 1ddx n ASP 2157Ca 0.23 0.63 0.12 0.00 0.71 0.00 0.00 54.79 56.48 1ddx n ASP 2157Cb 0.12 -0.67 0.23 0.00 -0.02 0.00 0.00 41.12 40.77 1ddx n ASP 2157CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1ddx n ASP 2158N -1.90 0.62 -4.71 -2.24 5.75 -1.26 -4.90 116.55 107.92 1ddx n ASP 2158Ca -0.00 0.10 -0.37 0.00 -0.01 0.00 0.00 54.79 54.51 1ddx n ASP 2158Cb 0.05 0.07 0.07 0.00 -1.03 0.00 0.00 41.12 40.29 1ddx n ASP 2158CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1ddx h PRO 2160N 0.35 -0.10 -6.46 0.00 0.13 -1.84 -3.46 132.00 120.62 1ddx h PRO 2160Ca -0.50 0.01 -0.67 0.00 -0.87 0.00 0.00 66.00 63.97 1ddx h PRO 2160Cb 1.34 0.02 -0.17 0.00 0.13 0.00 0.00 31.00 32.32 1ddx h PRO 2160CO 0.52 0.38 -0.73 0.95 -0.23 0.00 0.00 178.00 178.89 1ddx s THR 2161N -3.93 3.41 0.59 1.56 -4.23 0.08 -4.85 115.64 108.28 1ddx s THR 2161Ca -0.15 -1.07 0.34 0.00 -1.18 0.00 0.00 61.69 59.63 1ddx s THR 2161Cb 0.01 -2.53 0.49 0.00 1.34 0.00 0.00 72.50 71.81 1ddx s THR 2161CO 0.61 0.24 1.44 -0.65 -0.54 0.00 0.00 174.62 175.72 1ddx h PRO 2162N 4.06 0.00 -0.37 3.99 0.11 -1.84 1.76 132.00 139.71 1ddx h PRO 2162Ca -0.48 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.43 1ddx h PRO 2162Cb 1.16 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 32.16 1ddx h PRO 2162CO 0.52 0.00 -0.07 -1.33 -0.21 0.00 0.00 178.00 176.92 1ddx n MET 2163N -3.50 1.85 0.00 1.05 2.81 -1.26 -4.89 117.12 113.18 1ddx n MET 2163Ca 0.28 -3.19 0.00 0.00 -1.81 0.00 0.00 57.70 52.98 1ddx n MET 2163Cb 1.59 -1.83 0.00 0.00 -0.71 0.00 0.00 33.22 32.27 1ddx n MET 2163CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1ddx n GLY 2164N -1.12 1.54 0.44 3.03 0.00 0.60 -4.29 105.19 105.38 1ddx n GLY 2164Ca 0.34 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1ddx n GLY 2164CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1ddx n VAL 2165N 0.00 0.00 -2.15 1.61 0.24 -1.26 -0.74 118.33 116.04 1ddx n VAL 2165Ca 0.00 0.00 -0.41 0.00 -2.04 0.00 0.00 64.34 61.89 1ddx n VAL 2165Cb 0.00 -0.46 -0.03 0.00 -1.47 0.00 0.00 33.84 31.88 1ddx n VAL 2165CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1ddx s LYS 2166N -1.64 4.35 0.00 7.34 1.02 -1.26 -4.63 119.74 124.92 1ddx s LYS 2166Ca 0.00 2.14 0.00 0.00 0.02 0.00 0.00 55.97 58.13 1ddx s LYS 2166Cb 0.00 -3.17 0.00 0.00 -0.52 0.00 0.00 37.83 34.14 1ddx s LYS 2166CO 0.00 -0.32 0.00 0.41 -0.92 0.00 0.00 175.35 174.52 1ddx n GLY 2167N 2.35 -0.43 4.00 -3.33 0.00 -1.26 -4.29 105.19 102.23 1ddx n GLY 2167Ca 0.07 -2.24 -0.20 0.00 0.00 0.00 0.00 46.02 43.65 1ddx n GLY 2167CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ddx s ASN 2168N -3.13 5.21 0.36 1.61 0.01 -1.26 -4.93 114.94 112.81 1ddx s ASN 2168Ca 0.00 -0.75 0.15 0.00 -0.71 0.00 0.00 52.86 51.54 1ddx s ASN 2168Cb 0.00 -0.06 0.79 0.00 0.41 0.00 0.00 41.25 42.39 1ddx s ASN 2168CO 0.00 -1.07 1.35 0.11 -1.51 0.00 0.00 177.10 175.98 1ddx h LYS 2169N 0.46 0.00 0.00 -0.60 1.57 -1.97 -3.38 116.57 112.65 1ddx h LYS 2169Ca -0.35 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.34 1ddx h LYS 2169Cb 1.29 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.57 1ddx h LYS 2169CO 0.45 0.00 -0.03 0.39 -0.57 0.00 0.00 179.45 179.69 1ddx n GLU 2170N -2.13 0.30 -4.38 3.15 1.02 -1.26 -4.68 120.64 112.66 1ddx n GLU 2170Ca -0.01 -1.05 -0.28 0.00 -0.02 0.00 0.00 57.16 55.80 1ddx n GLU 2170Cb 0.33 1.05 -0.12 0.00 -0.02 0.00 0.00 31.44 32.68 1ddx n GLU 2170CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1ddx s LEU 2171N 0.00 2.49 0.22 -4.62 2.01 -1.26 -4.89 118.68 112.63 1ddx s LEU 2171Ca 0.11 -0.75 -0.29 0.00 0.01 0.00 0.00 54.13 53.20 1ddx s LEU 2171Cb -0.01 -1.29 -0.16 0.00 0.01 0.00 0.00 46.19 44.74 1ddx s LEU 2171CO 0.08 0.15 0.78 -0.81 1.01 0.00 0.00 176.35 177.55 1ddx n PRO 2172N 0.55 0.60 -1.70 1.29 -0.04 -1.26 -4.81 135.00 129.62 1ddx n PRO 2172Ca -0.15 0.21 -0.39 0.00 -0.04 0.00 0.00 63.50 63.13 1ddx n PRO 2172Cb 0.54 -1.41 0.04 0.00 -0.04 0.00 0.00 33.50 32.63 1ddx n PRO 2172CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1ddx n ASP 2173N 1.69 2.14 -0.05 3.54 4.64 -1.26 -4.90 116.55 122.36 1ddx n ASP 2173Ca 0.15 0.97 -0.14 0.00 -1.38 0.00 0.00 54.79 54.38 1ddx n ASP 2173Cb 0.27 -1.51 -0.08 0.00 -1.04 0.00 0.00 41.12 38.76 1ddx n ASP 2173CO 0.00 0.00 0.00 0.77 -0.82 0.00 0.00 177.20 177.15 1ddx h SER 2174N 1.35 0.44 -0.95 1.67 4.64 -1.97 -3.21 113.55 115.52 1ddx h SER 2174Ca -0.49 -0.56 0.18 0.00 -0.47 0.00 0.00 61.79 60.45 1ddx h SER 2174Cb 1.32 -0.13 -0.17 0.00 -0.31 0.00 0.00 62.40 63.11 1ddx h SER 2174CO 0.56 0.92 -0.27 0.50 -0.87 0.00 0.00 176.83 177.67 1ddx h LYS 2175N -0.03 -0.01 0.00 4.77 3.64 -1.96 0.60 116.57 123.59 1ddx h LYS 2175Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1ddx h LYS 2175Cb 0.85 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.67 1ddx h LYS 2175CO 0.06 -0.00 0.00 0.39 -2.27 0.00 0.00 179.45 177.62 1ddx n GLU 2176N -5.57 0.00 -0.08 1.90 -0.58 -1.22 -1.09 120.64 113.99 1ddx n GLU 2176Ca 0.14 0.02 0.00 0.00 -0.42 0.00 0.00 57.16 56.90 1ddx n GLU 2176Cb 0.46 -0.58 0.01 0.00 -0.57 0.00 0.00 31.44 30.77 1ddx n GLU 2176CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1ddx n VAL 2177N -0.10 -0.11 -0.21 2.62 0.31 -0.95 0.20 118.33 120.09 1ddx n VAL 2177Ca 0.00 0.52 -0.09 0.00 -0.01 0.00 0.00 64.34 64.76 1ddx n VAL 2177Cb 0.00 -0.70 -0.07 0.00 -0.91 0.00 0.00 33.84 32.16 1ddx n VAL 2177CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 1ddx h LEU 2178N 0.00 -1.47 0.11 7.52 6.46 0.36 0.13 115.31 128.42 1ddx h LEU 2178Ca 0.09 0.21 -0.01 0.00 -0.12 0.00 0.00 57.88 58.05 1ddx h LEU 2178Cb 0.14 0.63 0.00 0.00 -0.73 0.00 0.00 40.66 40.70 1ddx h LEU 2178CO -0.22 -0.22 -0.05 -0.33 -0.62 0.00 0.00 178.44 176.99 1ddx h GLU 2179N -0.13 -0.15 0.00 1.25 5.08 0.40 0.39 114.58 121.43 1ddx h GLU 2179Ca 0.09 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1ddx h GLU 2179Cb 0.35 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1ddx h GLU 2179CO -0.57 -0.10 0.68 1.63 -1.00 0.00 0.00 179.01 179.65 1ddx n LYS 2180N -2.85 0.02 0.00 2.33 4.76 0.20 -2.86 118.16 119.76 1ddx n LYS 2180Ca -0.02 0.62 0.00 0.00 -2.87 0.00 0.00 58.31 56.04 1ddx n LYS 2180Cb 0.06 -1.78 0.00 0.00 -1.84 0.00 0.00 35.03 31.47 1ddx n LYS 2180CO 0.00 0.00 0.00 1.33 -1.37 0.00 0.00 177.40 177.36 1ddx n VAL 2181N -1.83 0.00 -0.04 -0.18 0.24 0.42 -4.93 118.33 112.02 1ddx n VAL 2181Ca 0.00 0.00 -0.05 0.00 -2.04 0.00 0.00 64.34 62.25 1ddx n VAL 2181Cb 0.68 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 33.03 1ddx n VAL 2181CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1ddx n LEU 2182N 0.00 1.55 -4.55 1.34 4.77 0.11 0.32 117.00 120.54 1ddx n LEU 2182Ca 0.00 0.25 -0.52 0.00 -0.03 0.00 0.00 56.01 55.71 1ddx n LEU 2182Cb 0.19 -0.58 -0.05 0.00 -2.33 0.00 0.00 43.42 40.64 1ddx n LEU 2182CO 0.00 -0.45 0.67 0.18 -1.33 0.00 0.00 177.39 176.45 1ddx n LEU 2183N -4.02 1.00 -4.71 2.23 4.77 0.52 0.95 117.00 117.73 1ddx n LEU 2183Ca -0.08 1.14 -0.42 0.00 -0.03 0.00 0.00 56.01 56.61 1ddx n LEU 2183Cb 0.31 -1.13 -0.03 0.00 -2.33 0.00 0.00 43.42 40.25 1ddx n LEU 2183CO 0.13 -1.52 0.92 -0.60 -1.33 0.00 0.00 177.39 174.99 1ddx s ARG 2184N -0.16 4.40 0.00 3.23 3.52 0.26 -4.04 118.95 126.16 1ddx s ARG 2184Ca 0.79 1.81 0.00 0.00 -0.13 0.00 0.00 55.73 58.20 1ddx s ARG 2184Cb -0.97 -3.36 0.00 0.00 -1.56 0.00 0.00 34.95 29.07 1ddx s ARG 2184CO 0.52 -0.31 0.00 0.54 -0.81 0.00 0.00 175.30 175.24 1ddx n ARG 2185N 4.08 0.00 -3.45 5.12 5.12 -1.22 -4.77 116.66 121.54 1ddx n ARG 2185Ca 0.10 0.05 -0.38 0.00 -1.93 0.00 0.00 57.85 55.68 1ddx n ARG 2185Cb 0.46 -0.31 -0.09 0.00 -1.16 0.00 0.00 32.46 31.36 1ddx n ARG 2185CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1ddx s GLU 2186N -0.33 4.09 0.03 5.56 2.02 -1.26 -5.01 118.70 123.79 1ddx s GLU 2186Ca 0.00 0.03 -0.36 0.00 0.02 0.00 0.00 54.97 54.66 1ddx s GLU 2186Cb 0.00 -3.58 -0.15 0.00 0.10 0.00 0.00 34.13 30.50 1ddx s GLU 2186CO 0.00 -0.10 1.53 0.34 0.02 0.00 0.00 175.26 177.05 1ddx n PHE 2187N 4.74 1.90 -3.82 1.61 -0.00 -1.26 -4.93 117.46 115.70 1ddx n PHE 2187Ca -0.10 0.45 -0.36 0.00 -0.00 0.00 0.00 57.45 57.44 1ddx n PHE 2187Cb 0.51 -2.45 -0.12 0.00 -0.00 0.00 0.00 39.48 37.42 1ddx n PHE 2187CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.76 177.18 1ddx s ILE 2188N 1.51 4.42 0.42 -2.13 1.01 -1.26 -5.07 121.20 120.10 1ddx s ILE 2188Ca 0.86 -0.14 -0.19 0.00 0.00 0.00 0.00 60.65 61.18 1ddx s ILE 2188Cb -0.87 -3.05 -0.10 0.00 0.01 0.00 0.00 42.46 38.45 1ddx s ILE 2188CO 0.48 0.36 0.91 -2.16 0.00 0.00 0.00 174.94 174.53 1ddx s PRO 2189N 1.36 4.16 -0.04 2.79 0.04 -1.26 -0.56 135.00 141.49 1ddx s PRO 2189Ca 0.05 1.02 -0.30 0.00 0.04 0.00 0.00 61.00 61.81 1ddx s PRO 2189Cb -0.15 -2.22 -0.04 0.00 0.04 0.00 0.00 34.50 32.13 1ddx s PRO 2189CO 0.04 -0.02 1.30 0.34 0.04 0.00 0.00 177.00 178.70 1ddx s ASP 2190N -2.28 6.95 0.55 6.66 2.15 0.15 -3.81 116.67 127.03 1ddx s ASP 2190Ca 0.60 1.93 0.24 0.00 0.43 0.00 0.00 52.55 55.75 1ddx s ASP 2190Cb -0.09 -2.56 1.45 0.00 -0.30 0.00 0.00 42.92 41.42 1ddx s ASP 2190CO 0.15 -0.67 2.07 1.55 -0.17 0.00 0.00 175.17 178.11 1ddx h PRO 2191N 7.75 0.00 0.00 4.34 0.13 -1.82 -2.31 132.00 140.09 1ddx h PRO 2191Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1ddx h PRO 2191Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1ddx h PRO 2191CO 0.90 0.00 0.00 1.04 -0.23 0.00 0.00 178.00 179.71 1ddx n GLN 2192N -4.24 0.02 -0.55 0.86 6.02 -1.23 -4.88 117.38 113.38 1ddx n GLN 2192Ca 0.04 0.29 0.00 0.00 -0.01 0.00 0.00 57.00 57.32 1ddx n GLN 2192Cb 0.37 -1.53 0.00 0.00 1.02 0.00 0.00 30.24 30.10 1ddx n GLN 2192CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ddx n GLY 2193N -0.17 0.73 3.52 1.08 0.00 -0.87 -4.85 105.19 104.63 1ddx n GLY 2193Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 1ddx n GLY 2193CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ddx n SER 2194N 0.00 1.60 -2.96 1.61 7.64 -1.26 -0.34 113.62 119.91 1ddx n SER 2194Ca 0.00 -0.13 -0.14 0.00 1.01 0.00 0.00 58.87 59.60 1ddx n SER 2194Cb 0.00 -1.31 0.11 0.00 -1.01 0.00 0.00 64.21 62.00 1ddx n SER 2194CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1ddx n ASN 2195N 13.15 -0.64 0.04 6.43 0.23 -1.05 0.11 115.26 133.53 1ddx n ASN 2195Ca 0.48 -1.05 -0.05 0.00 -0.53 0.00 0.00 54.58 53.43 1ddx n ASN 2195Cb 0.32 -0.49 0.16 0.00 -2.08 0.00 0.00 39.78 37.69 1ddx n ASN 2195CO 0.00 0.00 0.00 0.24 -0.93 0.00 0.00 177.26 176.57 1ddx h MET 2196N 0.00 0.41 0.00 -3.83 2.86 -0.86 -2.99 114.93 110.52 1ddx h MET 2196Ca -0.20 -0.20 0.00 0.00 -2.06 0.00 0.00 59.70 57.24 1ddx h MET 2196Cb 0.59 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.25 1ddx h MET 2196CO 0.14 0.75 0.00 -1.33 1.06 0.00 0.00 176.91 177.53 1ddx n MET 2197N -4.02 0.00 -0.39 1.72 2.81 -1.06 -0.83 117.12 115.34 1ddx n MET 2197Ca -0.02 0.75 -0.10 0.00 -1.81 0.00 0.00 57.70 56.52 1ddx n MET 2197Cb 0.50 -1.45 -0.09 0.00 -0.71 0.00 0.00 33.22 31.46 1ddx n MET 2197CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1ddx n PHE 2198N -2.42 -0.41 -0.03 2.03 7.35 -1.22 -0.53 117.46 122.23 1ddx n PHE 2198Ca 0.00 1.17 -0.01 0.00 -0.76 0.00 0.00 57.45 57.85 1ddx n PHE 2198Cb 0.00 -0.58 -0.01 0.00 0.35 0.00 0.00 39.48 39.24 1ddx n PHE 2198CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1ddx h ALA 2199N 0.47 -0.20 -0.72 3.13 0.00 -1.20 0.60 119.26 121.33 1ddx h ALA 2199Ca 0.15 0.01 0.18 0.00 0.00 0.00 0.00 54.91 55.25 1ddx h ALA 2199Cb 0.38 0.89 -0.04 0.00 0.00 0.00 0.00 17.79 19.03 1ddx h ALA 2199CO -0.88 -0.23 0.50 0.74 0.00 0.00 0.00 179.25 179.38 1ddx h PHE 2200N -0.02 0.21 0.00 0.00 0.04 -0.06 0.32 116.94 117.43 1ddx h PHE 2200Ca 0.01 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.79 1ddx h PHE 2200Cb 0.05 -0.07 0.00 0.00 2.20 0.00 0.00 35.95 38.14 1ddx h PHE 2200CO -0.78 0.07 0.00 0.34 -0.60 0.00 0.00 178.31 177.34 1ddx n PHE 2201N -4.40 0.00 -0.16 -0.55 7.35 0.31 0.93 117.46 120.95 1ddx n PHE 2201Ca 0.14 0.00 0.01 0.00 -0.76 0.00 0.00 57.45 56.85 1ddx n PHE 2201Cb 0.68 -0.04 0.04 0.00 0.35 0.00 0.00 39.48 40.51 1ddx n PHE 2201CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1ddx n ALA 2202N -0.61 0.04 0.18 3.13 0.00 0.01 0.14 120.51 123.40 1ddx n ALA 2202Ca 0.00 0.45 -0.11 0.00 0.00 0.00 0.00 53.44 53.78 1ddx n ALA 2202Cb 0.00 -0.25 -0.06 0.00 0.00 0.00 0.00 19.45 19.14 1ddx n ALA 2202CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1ddx h GLN 2203N 0.00 -0.59 0.08 0.00 5.75 -0.23 0.73 115.11 120.85 1ddx h GLN 2203Ca 0.18 0.04 0.02 0.00 -0.15 0.00 0.00 58.65 58.75 1ddx h GLN 2203Cb 0.29 0.13 -0.05 0.00 1.07 0.00 0.00 27.48 28.92 1ddx h GLN 2203CO -0.43 -0.39 -0.45 1.25 -2.65 0.00 0.00 178.83 176.15 1ddx h HIS 2204N -0.61 -1.28 0.15 3.99 2.76 0.80 -2.61 115.15 118.35 1ddx h HIS 2204Ca -0.04 0.04 -0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1ddx h HIS 2204Cb 0.53 0.55 -0.02 0.00 1.55 0.00 0.00 27.41 30.02 1ddx h HIS 2204CO -0.17 -0.53 -0.26 0.35 -1.30 0.00 0.00 177.93 176.02 1ddx h PHE 2205N -0.65 -0.74 0.00 5.26 3.57 0.05 -1.47 116.94 122.96 1ddx h PHE 2205Ca 0.02 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1ddx h PHE 2205Cb 0.69 0.30 0.00 0.00 2.79 0.00 0.00 35.95 39.74 1ddx h PHE 2205CO -0.41 -0.32 0.27 0.25 -2.23 0.00 0.00 178.31 175.87 1ddx n THR 2206N -3.92 0.77 1.58 4.41 -2.24 0.25 -2.11 114.28 113.01 1ddx n THR 2206Ca -0.05 0.68 0.08 0.00 -2.27 0.00 0.00 64.05 62.50 1ddx n THR 2206Cb 0.22 -1.68 0.50 0.00 -2.10 0.00 0.00 70.33 67.26 1ddx n THR 2206CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1ddx n HIS 2207N -1.88 0.00 -0.08 4.78 8.25 -0.55 -2.08 115.22 123.66 1ddx n HIS 2207Ca -0.01 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.37 1ddx n HIS 2207Cb 0.28 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.36 1ddx n HIS 2207CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ddx n GLN 2208N -0.83 0.48 0.48 -0.41 10.64 -0.90 -4.61 117.38 122.24 1ddx n GLN 2208Ca 0.13 0.47 -0.19 0.00 -1.83 0.00 0.00 57.00 55.57 1ddx n GLN 2208Cb 0.06 -1.65 -0.09 0.00 -0.86 0.00 0.00 30.24 27.70 1ddx n GLN 2208CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.06 175.50 1ddx h PHE 2209N -1.00 -1.14 -3.16 2.61 -0.00 -1.77 -3.40 116.94 109.09 1ddx h PHE 2209Ca -0.06 -0.03 -0.54 0.00 -0.00 0.00 0.00 57.97 57.34 1ddx h PHE 2209Cb 0.72 0.38 0.00 0.00 -0.00 0.00 0.00 35.95 37.05 1ddx h PHE 2209CO -0.22 -0.71 0.60 -0.06 -0.00 0.00 0.00 178.31 177.93 1ddx s PHE 2210N -5.65 3.37 -0.00 6.09 0.08 -0.88 -4.56 117.98 116.43 1ddx s PHE 2210Ca -0.18 1.25 0.00 0.00 0.12 0.00 0.00 56.93 58.12 1ddx s PHE 2210Cb 0.02 -3.44 0.00 0.00 -0.57 0.00 0.00 43.02 39.03 1ddx s PHE 2210CO 0.56 -1.38 0.73 1.63 -0.10 0.00 0.00 175.22 176.66 1ddx n LYS 2211N 4.17 0.01 -0.42 0.44 5.02 -1.26 -4.48 118.16 121.63 1ddx n LYS 2211Ca 0.09 -0.73 -0.16 0.00 -2.02 0.00 0.00 58.31 55.49 1ddx n LYS 2211Cb 0.46 0.50 -0.02 0.00 -0.02 0.00 0.00 35.03 35.95 1ddx n LYS 2211CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1ddx n THR 2212N -0.01 0.00 -3.17 -0.18 -1.04 -1.26 -3.42 114.28 105.20 1ddx n THR 2212Ca -0.20 0.00 -0.44 0.00 -2.04 0.00 0.00 64.05 61.37 1ddx n THR 2212Cb 0.58 -0.05 -0.06 0.00 -1.82 0.00 0.00 70.33 68.98 1ddx n THR 2212CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1ddx s ASP 2213N 0.27 6.21 0.24 8.00 2.15 0.63 -4.81 116.67 129.36 1ddx s ASP 2213Ca 0.25 -1.07 0.03 0.00 0.43 0.00 0.00 52.55 52.20 1ddx s ASP 2213Cb -0.36 -2.28 0.28 0.00 -0.30 0.00 0.00 42.92 40.26 1ddx s ASP 2213CO 0.17 -0.91 1.59 0.45 -0.17 0.00 0.00 175.17 176.30 1ddx h HIS 2214N 9.01 0.38 -0.98 -5.34 3.86 -1.85 -0.24 115.15 119.99 1ddx h HIS 2214Ca -0.28 -0.13 0.22 0.00 -1.16 0.00 0.00 60.37 59.02 1ddx h HIS 2214Cb 1.10 -0.07 -0.09 0.00 1.06 0.00 0.00 27.41 29.41 1ddx h HIS 2214CO 0.76 0.78 0.63 0.87 0.86 0.00 0.00 177.93 181.82 1ddx h LYS 2215N 0.24 0.49 0.00 2.45 1.79 -1.98 -2.37 116.57 117.18 1ddx h LYS 2215Ca 0.01 -0.03 -0.04 0.00 -2.18 0.00 0.00 60.65 58.40 1ddx h LYS 2215Cb 1.02 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 31.55 1ddx h LYS 2215CO 0.09 0.32 -0.36 0.00 -1.08 0.00 0.00 179.45 178.42 1ddx h ARG 2216N 0.50 0.00 0.00 3.15 3.08 -1.89 -3.51 114.38 115.72 1ddx h ARG 2216Ca 0.54 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.59 1ddx h ARG 2216Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.26 1ddx h ARG 2216CO -0.27 0.44 0.00 0.41 -1.07 0.00 0.00 179.97 179.48 1ddx n GLY 2217N 1.63 -0.50 0.25 0.04 0.00 -0.13 -4.97 105.19 101.51 1ddx n GLY 2217Ca -0.10 -1.22 -0.09 0.00 0.00 0.00 0.00 46.02 44.61 1ddx n GLY 2217CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1ddx h PRO 2218N 0.00 0.71 0.00 1.61 0.11 -1.85 -3.20 132.00 129.38 1ddx h PRO 2218Ca 0.00 -0.34 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1ddx h PRO 2218Cb 0.00 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1ddx h PRO 2218CO 0.00 0.95 0.00 0.41 -0.21 0.00 0.00 178.00 179.15 1ddx n GLY 2219N -0.04 -1.38 3.81 -0.55 0.00 -1.26 -4.83 105.19 100.94 1ddx n GLY 2219Ca -0.01 0.03 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 1ddx n GLY 2219CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ddx s PHE 2220N -3.20 3.55 0.28 1.61 0.40 -1.21 -0.72 117.98 118.70 1ddx s PHE 2220Ca 0.07 0.57 0.06 0.00 -0.60 0.00 0.00 56.93 57.03 1ddx s PHE 2220Cb 0.11 -2.12 -0.03 0.00 0.51 0.00 0.00 43.02 41.50 1ddx s PHE 2220CO 0.44 0.54 0.34 -0.08 0.70 0.00 0.00 175.22 177.16 1ddx s THR 2221N -0.47 4.57 -0.24 0.64 -1.32 0.28 -0.27 115.64 118.82 1ddx s THR 2221Ca 0.15 -1.14 0.08 0.00 -1.21 0.00 0.00 61.69 59.57 1ddx s THR 2221Cb -0.13 -3.56 -0.10 0.00 -1.51 0.00 0.00 72.50 67.21 1ddx s THR 2221CO 0.04 -0.28 0.28 -1.14 -2.21 0.00 0.00 174.62 171.31 1ddx n ARG 2222N -1.40 2.96 -2.92 7.08 0.63 -1.22 -4.61 116.66 117.17 1ddx n ARG 2222Ca -0.06 -0.03 -0.44 0.00 -0.92 0.00 0.00 57.85 56.41 1ddx n ARG 2222Cb 0.58 -0.98 -0.01 0.00 0.45 0.00 0.00 32.46 32.49 1ddx n ARG 2222CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 1ddx s GLY 2223N -2.15 2.13 0.42 5.14 0.00 -1.26 -4.77 107.32 106.83 1ddx s GLY 2223Ca 0.01 -3.04 0.29 0.00 0.00 0.00 0.00 44.72 41.98 1ddx s GLY 2223CO 0.33 2.05 1.88 1.41 0.00 0.00 0.00 173.10 178.77 1ddx h LEU 2224N 10.17 0.00 -2.22 0.66 3.38 -1.86 -0.80 115.31 124.64 1ddx h LEU 2224Ca 0.24 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.25 1ddx h LEU 2224Cb 0.95 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.69 1ddx h LEU 2224CO 1.18 0.00 0.25 1.23 0.09 0.00 0.00 178.44 181.19 1ddx h GLY 2225N 1.11 0.00 -7.07 0.83 0.00 -1.94 -3.45 103.07 92.54 1ddx h GLY 2225Ca 0.00 0.00 -0.62 0.00 0.00 0.00 0.00 47.33 46.71 1ddx h GLY 2225CO 0.00 0.00 -0.96 1.42 0.00 0.00 0.00 176.54 177.00 1ddx n HIS 2226N -3.50 -1.27 -0.87 5.60 8.25 -0.31 -4.77 115.22 118.35 1ddx n HIS 2226Ca 0.01 0.62 0.00 0.00 -0.26 0.00 0.00 57.72 58.09 1ddx n HIS 2226Cb 0.36 -2.78 0.00 0.00 1.12 0.00 0.00 29.99 28.69 1ddx n HIS 2226CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ddx n GLY 2227N -2.47 -2.07 3.56 -1.41 0.00 -1.26 -4.41 105.19 97.13 1ddx n GLY 2227Ca -0.30 -1.39 -0.24 0.00 0.00 0.00 0.00 46.02 44.08 1ddx n GLY 2227CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ddx s VAL 2228N -2.11 3.18 -0.00 1.61 1.01 -1.26 -4.53 120.40 118.31 1ddx s VAL 2228Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 61.98 61.89 1ddx s VAL 2228Cb 0.00 -3.43 0.00 0.00 0.00 0.00 0.00 36.38 32.95 1ddx s VAL 2228CO 0.00 -0.41 0.75 -0.90 0.00 0.00 0.00 175.10 174.54 1ddx n ASP 2229N 16.08 0.98 -3.37 3.32 3.85 -1.26 -5.00 116.55 131.15 1ddx n ASP 2229Ca 0.40 -1.50 -0.22 0.00 -0.71 0.00 0.00 54.79 52.76 1ddx n ASP 2229Cb 0.47 -0.00 -0.01 0.00 -1.35 0.00 0.00 41.12 40.23 1ddx n ASP 2229CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.20 176.37 1ddx n LEU 2230N -0.25 -1.24 0.28 -2.12 4.77 -1.26 -4.79 117.00 112.40 1ddx n LEU 2230Ca 0.00 -0.36 0.19 0.00 -0.03 0.00 0.00 56.01 55.80 1ddx n LEU 2230Cb 0.38 -1.91 0.85 0.00 -2.33 0.00 0.00 43.42 40.41 1ddx n LEU 2230CO 0.00 0.12 1.04 -0.55 -1.33 0.00 0.00 177.39 176.67 1ddx h ASN 2231N -0.79 0.00 1.11 -1.43 7.08 -1.90 -0.18 115.58 119.47 1ddx h ASN 2231Ca -0.39 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.83 1ddx h ASN 2231Cb 1.26 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.50 1ddx h ASN 2231CO 0.50 0.00 0.00 1.12 -2.08 0.00 0.00 177.43 176.97 1ddx h HIS 2232N 0.00 0.00 0.02 4.14 2.07 -1.84 0.79 115.15 120.33 1ddx h HIS 2232Ca 0.00 0.00 -0.36 0.00 -2.85 0.00 0.00 60.37 57.16 1ddx h HIS 2232Cb 0.31 0.00 -0.06 0.00 2.57 0.00 0.00 27.41 30.23 1ddx h HIS 2232CO 0.00 0.00 -2.23 -0.89 -3.07 0.00 0.00 177.93 171.74 1ddx n ILE 2233N -2.55 1.52 -0.04 6.12 5.41 -0.13 0.39 119.36 130.07 1ddx n ILE 2233Ca 0.03 -0.73 0.02 0.00 1.00 0.00 0.00 62.75 63.06 1ddx n ILE 2233Cb 0.33 -1.03 0.05 0.00 -0.71 0.00 0.00 39.64 38.28 1ddx n ILE 2233CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 1ddx n TYR 2234N -3.06 0.16 0.00 1.39 4.01 -0.90 -2.87 117.16 115.89 1ddx n TYR 2234Ca -0.33 -0.44 0.00 0.00 -0.16 0.00 0.00 57.90 56.96 1ddx n TYR 2234Cb 1.07 -0.04 0.00 0.00 -0.31 0.00 0.00 39.34 40.07 1ddx n TYR 2234CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ddx n GLY 2235N -0.07 -1.97 0.10 2.72 0.00 0.27 -2.92 105.19 103.32 1ddx n GLY 2235Ca 0.04 -1.51 -0.20 0.00 0.00 0.00 0.00 46.02 44.35 1ddx n GLY 2235CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1ddx h GLU 2236N 0.00 0.05 -6.81 1.61 4.39 -1.81 -3.42 114.58 108.59 1ddx h GLU 2236Ca 0.00 -0.08 -0.49 0.00 0.34 0.00 0.00 59.36 59.13 1ddx h GLU 2236Cb 0.00 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.67 1ddx h GLU 2236CO 0.00 1.04 0.12 0.95 -1.16 0.00 0.00 179.01 179.96 1ddx s THR 2237N -2.36 4.71 0.17 1.13 -4.23 -1.26 -4.96 115.64 108.83 1ddx s THR 2237Ca -0.26 0.83 -0.15 0.00 -1.18 0.00 0.00 61.69 60.94 1ddx s THR 2237Cb 0.04 -3.67 0.04 0.00 1.34 0.00 0.00 72.50 70.26 1ddx s THR 2237CO 0.64 -0.35 1.82 -0.07 -0.54 0.00 0.00 174.62 176.12 1ddx h LEU 2238N 1.76 0.52 -0.63 4.79 3.38 -1.92 -1.11 115.31 122.11 1ddx h LEU 2238Ca -0.48 -0.01 0.10 0.00 0.09 0.00 0.00 57.88 57.58 1ddx h LEU 2238Cb 1.18 -0.13 -0.11 0.00 0.09 0.00 0.00 40.66 41.69 1ddx h LEU 2238CO 0.64 0.38 -0.39 -0.78 0.09 0.00 0.00 178.44 178.38 1ddx h ASP 2239N 0.62 -1.35 0.35 -0.43 -0.00 -1.97 0.49 116.42 114.13 1ddx h ASP 2239Ca 0.17 0.24 -0.01 0.00 -0.00 0.00 0.00 57.03 57.44 1ddx h ASP 2239Cb -0.06 0.65 -0.01 0.00 -0.00 0.00 0.00 39.33 39.91 1ddx h ASP 2239CO -0.05 -0.32 -0.27 -0.09 -0.00 0.00 0.00 179.24 178.52 1ddx h ARG 2240N -0.18 -0.57 -0.88 0.28 2.43 -1.79 -2.65 114.38 111.02 1ddx h ARG 2240Ca 0.22 0.04 0.26 0.00 -0.81 0.00 0.00 59.98 59.69 1ddx h ARG 2240Cb 0.56 0.13 -0.16 0.00 -0.42 0.00 0.00 29.97 30.08 1ddx h ARG 2240CO -0.72 -0.38 0.10 0.00 -1.51 0.00 0.00 179.97 177.46 1ddx n GLN 2241N -4.01 -0.07 0.04 0.20 10.64 -0.46 0.10 117.38 123.82 1ddx n GLN 2241Ca -0.07 1.30 -0.02 0.00 -1.83 0.00 0.00 57.00 56.38 1ddx n GLN 2241Cb 0.26 -2.11 0.26 0.00 -0.86 0.00 0.00 30.24 27.79 1ddx n GLN 2241CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 1ddx h HIS 2242N 0.00 0.46 -0.01 2.61 3.86 0.19 -1.46 115.15 120.81 1ddx h HIS 2242Ca 0.57 -0.08 -0.13 0.00 -1.16 0.00 0.00 60.37 59.57 1ddx h HIS 2242Cb 1.25 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 29.59 1ddx h HIS 2242CO -0.37 0.60 -0.60 0.87 0.86 0.00 0.00 177.93 179.29 1ddx h LYS 2243N 0.38 0.02 -0.00 2.45 1.57 0.10 -2.25 116.57 118.84 1ddx h LYS 2243Ca 0.07 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1ddx h LYS 2243Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.87 1ddx h LYS 2243CO 0.04 0.61 -0.05 1.28 -0.57 0.00 0.00 179.45 180.77 1ddx n LEU 2244N -3.83 0.31 -4.89 2.94 4.77 -0.74 -4.80 117.00 110.76 1ddx n LEU 2244Ca -0.01 0.03 -0.35 0.00 -0.03 0.00 0.00 56.01 55.65 1ddx n LEU 2244Cb 0.60 -0.15 -0.05 0.00 -2.33 0.00 0.00 43.42 41.49 1ddx n LEU 2244CO 0.42 0.06 -0.10 -0.13 -1.33 0.00 0.00 177.39 176.30 1ddx s ARG 2245N -2.34 3.52 0.05 3.23 0.52 -0.61 -0.51 118.95 122.81 1ddx s ARG 2245Ca 0.34 -0.15 0.22 0.00 -0.52 0.00 0.00 55.73 55.62 1ddx s ARG 2245Cb 0.21 -3.10 -0.20 0.00 0.52 0.00 0.00 34.95 32.37 1ddx s ARG 2245CO 0.43 0.68 0.69 -0.11 0.02 0.00 0.00 175.30 177.01 1ddx n LEU 2246N 1.20 0.36 -3.33 2.53 7.94 0.51 -4.43 117.00 121.77 1ddx n LEU 2246Ca -0.12 0.14 -0.17 0.00 -1.11 0.00 0.00 56.01 54.75 1ddx n LEU 2246Cb 0.53 0.00 0.07 0.00 0.53 0.00 0.00 43.42 44.55 1ddx n LEU 2246CO 0.40 -0.04 0.03 0.49 -1.11 0.00 0.00 177.39 177.17 1ddx n PHE 2247N -2.47 -2.36 -3.49 1.96 0.99 -1.24 -4.99 117.46 105.86 1ddx n PHE 2247Ca -0.04 0.84 0.01 0.00 -0.00 0.00 0.00 57.45 58.26 1ddx n PHE 2247Cb 0.60 -4.25 -0.04 0.00 -1.00 0.00 0.00 39.48 34.79 1ddx n PHE 2247CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.76 176.91 1ddx s LYS 2248N -4.74 0.40 -1.43 -1.08 1.02 -1.26 -4.89 119.74 107.76 1ddx s LYS 2248Ca 0.37 0.99 0.00 0.00 0.02 0.00 0.00 55.97 57.35 1ddx s LYS 2248Cb -0.06 0.60 0.00 0.00 -0.52 0.00 0.00 37.83 37.85 1ddx s LYS 2248CO 0.75 -0.14 0.00 -0.25 -0.92 0.00 0.00 175.35 174.79 1ddx n ASP 2249N 5.15 -4.32 -2.20 2.83 8.00 -1.26 -0.87 116.55 123.88 1ddx n ASP 2249Ca -0.10 0.23 -0.17 0.00 0.71 0.00 0.00 54.79 55.46 1ddx n ASP 2249Cb 0.51 -3.77 -0.02 0.00 -0.02 0.00 0.00 41.12 37.82 1ddx n ASP 2249CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ddx n GLY 2250N -0.62 -0.01 3.86 0.44 0.00 -1.20 -4.50 105.19 103.16 1ddx n GLY 2250Ca -0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.53 1ddx n GLY 2250CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ddx s LYS 2251N -4.66 3.90 0.16 1.61 1.02 -0.05 -3.59 119.74 118.13 1ddx s LYS 2251Ca 0.00 0.47 -0.27 0.00 0.02 0.00 0.00 55.97 56.19 1ddx s LYS 2251Cb 0.00 -2.53 -0.08 0.00 -0.52 0.00 0.00 37.83 34.70 1ddx s LYS 2251CO 0.00 0.22 0.83 -0.51 -0.92 0.00 0.00 175.35 174.97 1ddx s LEU 2252N -2.95 4.58 0.27 3.17 1.43 -1.26 -0.36 118.68 123.56 1ddx s LEU 2252Ca 0.51 1.70 -0.31 0.00 -1.03 0.00 0.00 54.13 55.00 1ddx s LEU 2252Cb -0.11 -3.38 -0.13 0.00 0.03 0.00 0.00 46.19 42.60 1ddx s LEU 2252CO 0.20 0.15 1.47 0.29 0.23 0.00 0.00 176.35 178.68 1ddx n LYS 2253N 1.84 2.29 -1.19 1.70 5.02 0.33 -4.64 118.16 123.50 1ddx n LYS 2253Ca -0.04 0.81 0.00 0.00 -2.02 0.00 0.00 58.31 57.07 1ddx n LYS 2253Cb 0.49 -2.51 0.00 0.00 -0.02 0.00 0.00 35.03 32.98 1ddx n LYS 2253CO 0.00 0.00 0.00 2.48 -0.52 0.00 0.00 177.40 179.36 1ddx n TYR 2254N 1.89 0.00 -3.59 2.13 0.18 -1.26 -4.23 117.16 112.27 1ddx n TYR 2254Ca 0.10 0.00 -0.14 0.00 1.88 0.00 0.00 57.90 59.74 1ddx n TYR 2254Cb 0.34 0.00 -0.07 0.00 -0.38 0.00 0.00 39.34 39.23 1ddx n TYR 2254CO 0.00 0.00 0.00 1.14 -2.08 0.00 0.00 176.86 175.92 1ddx s GLN 2255N -0.78 0.82 -0.30 -3.48 -2.07 0.18 -4.51 119.66 109.52 1ddx s GLN 2255Ca 0.00 0.62 -0.07 0.00 -1.82 0.00 0.00 55.36 54.09 1ddx s GLN 2255Cb 0.00 0.40 0.01 0.00 -1.09 0.00 0.00 33.01 32.32 1ddx s GLN 2255CO 0.00 -0.17 0.09 0.08 -1.32 0.00 0.00 175.29 173.97 1ddx s VAL 2256N -0.27 4.08 -0.13 3.63 1.01 -1.26 0.32 120.40 127.79 1ddx s VAL 2256Ca -0.03 -0.63 0.01 0.00 0.00 0.00 0.00 61.98 61.33 1ddx s VAL 2256Cb -0.03 -3.10 -0.01 0.00 0.00 0.00 0.00 36.38 33.25 1ddx s VAL 2256CO 0.03 0.08 -0.17 -0.63 0.00 0.00 0.00 175.10 174.41 1ddx s ILE 2257N 1.52 2.68 -1.54 2.22 1.01 0.15 -4.67 121.20 122.58 1ddx s ILE 2257Ca 0.03 -0.79 -0.07 0.00 0.00 0.00 0.00 60.65 59.82 1ddx s ILE 2257Cb -0.17 -2.10 0.06 0.00 0.01 0.00 0.00 42.46 40.26 1ddx s ILE 2257CO 0.03 0.53 0.52 0.61 0.00 0.00 0.00 174.94 176.64 1ddx n GLY 2258N 3.65 -0.30 2.44 6.18 0.00 -1.26 0.21 105.19 116.11 1ddx n GLY 2258Ca -0.19 0.15 -0.05 0.00 0.00 0.00 0.00 46.02 45.93 1ddx n GLY 2258CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ddx n GLY 2259N -1.82 0.69 3.35 -0.02 0.00 -1.26 -5.00 105.19 101.13 1ddx n GLY 2259Ca -0.16 -0.23 -0.29 0.00 0.00 0.00 0.00 46.02 45.34 1ddx n GLY 2259CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ddx s GLU 2260N -1.92 1.52 -0.24 1.61 0.41 0.13 -5.11 118.70 115.11 1ddx s GLU 2260Ca 0.00 -1.20 -0.27 0.00 -0.41 0.00 0.00 54.97 53.09 1ddx s GLU 2260Cb 0.00 -1.84 0.00 0.00 -1.78 0.00 0.00 34.13 30.52 1ddx s GLU 2260CO 0.00 0.45 0.97 0.08 -0.49 0.00 0.00 175.26 176.27 1ddx s VAL 2261N -0.94 4.73 0.09 2.63 1.01 -1.26 -0.68 120.40 125.98 1ddx s VAL 2261Ca 0.12 1.86 0.02 0.00 0.00 0.00 0.00 61.98 63.98 1ddx s VAL 2261Cb -0.10 -4.24 -0.04 0.00 0.00 0.00 0.00 36.38 32.00 1ddx s VAL 2261CO 0.04 -0.15 -0.07 -0.31 0.00 0.00 0.00 175.10 174.61 1ddx s TYR 2262N 3.08 0.86 1.02 5.22 1.51 0.15 -4.96 117.35 124.24 1ddx s TYR 2262Ca 0.41 -0.83 -0.14 0.00 -1.01 0.00 0.00 57.07 55.50 1ddx s TYR 2262Cb -0.15 -0.50 0.11 0.00 -0.11 0.00 0.00 41.96 41.31 1ddx s TYR 2262CO 0.07 -0.13 0.50 -2.30 -1.11 0.00 0.00 175.55 172.57 1ddx n PRO 2263N 0.24 -0.96 -2.82 -1.71 -0.02 -1.26 -0.65 135.00 127.83 1ddx n PRO 2263Ca -0.14 -0.24 -0.21 0.00 -2.02 0.00 0.00 63.50 60.89 1ddx n PRO 2263Cb 0.60 -1.94 0.02 0.00 -0.02 0.00 0.00 33.50 32.16 1ddx n PRO 2263CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1ddx s PRO 2264N -3.85 2.73 0.62 0.52 0.04 -1.26 -4.28 135.00 129.53 1ddx s PRO 2264Ca 0.60 -0.81 -0.15 0.00 0.04 0.00 0.00 61.00 60.68 1ddx s PRO 2264Cb -0.19 -2.56 -0.02 0.00 0.04 0.00 0.00 34.50 31.76 1ddx s PRO 2264CO 0.65 -0.51 1.06 0.95 0.04 0.00 0.00 177.00 179.20 1ddx s THR 2265N -2.62 3.78 0.25 1.26 -4.23 -1.26 0.14 115.64 112.96 1ddx s THR 2265Ca 0.54 0.79 0.12 0.00 -1.18 0.00 0.00 61.69 61.96 1ddx s THR 2265Cb -0.10 -3.34 0.00 0.00 1.34 0.00 0.00 72.50 70.40 1ddx s THR 2265CO 0.37 -0.55 1.64 0.58 -0.54 0.00 0.00 174.62 176.11 1ddx h VAL 2266N 0.16 1.34 0.00 2.29 2.07 -1.48 -2.66 116.25 117.97 1ddx h VAL 2266Ca -0.46 -2.00 0.00 0.00 0.82 0.00 0.00 66.70 65.05 1ddx h VAL 2266Cb 1.22 2.10 0.00 0.00 -1.52 0.00 0.00 31.29 33.09 1ddx h VAL 2266CO 0.57 0.56 0.00 1.17 0.02 0.00 0.00 177.57 179.89 1ddx n LYS 2267N -3.76 0.13 -0.00 1.57 4.81 -1.26 0.33 118.16 119.98 1ddx n LYS 2267Ca -0.01 0.10 0.03 0.00 -0.87 0.00 0.00 58.31 57.57 1ddx n LYS 2267Cb 0.59 -1.50 -0.04 0.00 0.02 0.00 0.00 35.03 34.10 1ddx n LYS 2267CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1ddx n ASP 2268N -1.41 1.47 0.00 3.14 8.00 -1.06 -4.62 116.55 122.06 1ddx n ASP 2268Ca 0.07 -0.41 0.00 0.00 0.71 0.00 0.00 54.79 55.16 1ddx n ASP 2268Cb 0.22 1.11 0.00 0.00 -0.02 0.00 0.00 41.12 42.43 1ddx n ASP 2268CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1ddx n THR 2269N -1.36 0.00 -0.85 -3.53 -2.24 -1.03 -4.98 114.28 100.29 1ddx n THR 2269Ca 0.00 -0.43 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 1ddx n THR 2269Cb 0.13 0.98 0.00 0.00 -2.10 0.00 0.00 70.33 69.33 1ddx n THR 2269CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ddx n GLN 2270N -0.92 -1.80 -1.68 -0.78 3.00 0.15 -4.86 117.38 110.49 1ddx n GLN 2270Ca 0.00 0.40 -0.37 0.00 -0.01 0.00 0.00 57.00 57.02 1ddx n GLN 2270Cb 0.00 -4.68 0.07 0.00 0.00 0.00 0.00 30.24 25.63 1ddx n GLN 2270CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 1ddx n VAL 2271N -1.78 4.65 -2.68 5.09 0.31 -1.25 -4.92 118.33 117.74 1ddx n VAL 2271Ca 0.00 -0.48 -0.43 0.00 -0.01 0.00 0.00 64.34 63.42 1ddx n VAL 2271Cb 0.40 -1.43 -0.02 0.00 -0.91 0.00 0.00 33.84 31.88 1ddx n VAL 2271CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1ddx s GLU 2272N -3.33 3.95 -0.04 5.55 0.41 -1.26 -4.86 118.70 119.12 1ddx s GLU 2272Ca 0.81 0.86 0.02 0.00 -0.41 0.00 0.00 54.97 56.26 1ddx s GLU 2272Cb -0.38 -3.78 0.01 0.00 -1.78 0.00 0.00 34.13 28.20 1ddx s GLU 2272CO 0.42 -0.99 -0.10 -1.64 -0.49 0.00 0.00 175.26 172.45 1ddx s MET 2273N 3.74 1.23 -0.61 1.61 -1.94 -1.26 -4.35 119.30 117.72 1ddx s MET 2273Ca 0.44 -0.33 -0.27 0.00 -1.71 0.00 0.00 55.69 53.82 1ddx s MET 2273Cb -0.11 -1.09 0.04 0.00 2.01 0.00 0.00 34.83 35.67 1ddx s MET 2273CO 0.19 0.07 1.13 0.42 -0.01 0.00 0.00 175.02 176.82 1ddx s ILE 2274N 0.43 4.08 0.08 2.53 1.01 0.14 -5.01 121.20 124.46 1ddx s ILE 2274Ca -0.08 0.58 0.03 0.00 0.00 0.00 0.00 60.65 61.18 1ddx s ILE 2274Cb -0.12 -4.71 -0.03 0.00 0.01 0.00 0.00 42.46 37.61 1ddx s ILE 2274CO 0.02 -1.38 -0.09 -0.31 0.00 0.00 0.00 174.94 173.18 1ddx s TYR 2275N 4.78 0.92 0.07 3.97 2.02 -1.26 -4.57 117.35 123.27 1ddx s TYR 2275Ca 0.37 -0.68 -0.23 0.00 -0.37 0.00 0.00 57.07 56.17 1ddx s TYR 2275Cb -0.09 -0.52 -0.06 0.00 -0.40 0.00 0.00 41.96 40.88 1ddx s TYR 2275CO 0.21 -0.06 0.68 -1.25 -1.57 0.00 0.00 175.55 173.56 1ddx s PRO 2276N -2.71 4.40 0.07 -1.71 0.04 -1.26 -4.98 135.00 128.84 1ddx s PRO 2276Ca 0.03 0.93 -0.02 0.00 0.04 0.00 0.00 61.00 61.98 1ddx s PRO 2276Cb -0.03 -3.30 0.12 0.00 0.04 0.00 0.00 34.50 31.33 1ddx s PRO 2276CO -0.01 0.46 0.39 -2.30 0.04 0.00 0.00 177.00 175.58 1ddx n PRO 2277N 2.23 -0.02 -0.18 0.56 -0.02 -1.26 -1.78 135.00 134.53 1ddx n PRO 2277Ca -0.06 0.39 -0.04 0.00 -2.02 0.00 0.00 63.50 61.77 1ddx n PRO 2277Cb 0.50 -0.58 0.15 0.00 -0.02 0.00 0.00 33.50 33.55 1ddx n PRO 2277CO 0.00 0.00 0.00 1.12 1.98 0.00 0.00 175.50 178.60 1ddx h HIS 2278N 0.00 0.97 -0.97 6.00 2.07 -2.03 -3.46 115.15 117.73 1ddx h HIS 2278Ca 0.12 -0.09 -0.78 0.00 -2.85 0.00 0.00 60.37 56.78 1ddx h HIS 2278Cb 0.20 -0.28 0.04 0.00 2.57 0.00 0.00 27.41 29.94 1ddx h HIS 2278CO -0.18 0.79 0.17 -0.89 -3.07 0.00 0.00 177.93 174.74 1ddx n ILE 2279N -4.27 0.00 -2.73 6.12 2.08 -0.73 -4.90 119.36 114.93 1ddx n ILE 2279Ca 0.05 0.00 -0.37 0.00 0.56 0.00 0.00 62.75 62.98 1ddx n ILE 2279Cb 0.22 -0.09 -0.06 0.00 -0.75 0.00 0.00 39.64 38.96 1ddx n ILE 2279CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 1ddx s PRO 2280N 0.54 4.55 0.29 0.38 0.04 -1.26 -4.85 135.00 134.68 1ddx s PRO 2280Ca 0.91 1.39 0.03 0.00 0.04 0.00 0.00 61.00 63.37 1ddx s PRO 2280Cb -1.27 -2.82 0.69 0.00 0.04 0.00 0.00 34.50 31.13 1ddx s PRO 2280CO 0.60 0.24 1.73 0.93 0.04 0.00 0.00 177.00 180.54 1ddx h GLU 2281N 3.19 0.53 0.00 4.56 5.08 -1.94 0.79 114.58 126.79 1ddx h GLU 2281Ca -0.47 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 1ddx h GLU 2281Cb 1.20 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.33 1ddx h GLU 2281CO 0.65 0.35 0.03 0.27 -1.00 0.00 0.00 179.01 179.31 1ddx n ASN 2282N -4.93 0.22 -0.01 1.42 6.94 -1.26 -1.20 115.26 116.45 1ddx n ASN 2282Ca 0.21 0.59 0.03 0.00 -0.02 0.00 0.00 54.58 55.39 1ddx n ASN 2282Cb 0.58 -0.61 -0.06 0.00 -2.36 0.00 0.00 39.78 37.33 1ddx n ASN 2282CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1ddx n LEU 2283N -1.79 0.00 -4.55 -4.53 4.77 0.26 -4.93 117.00 106.23 1ddx n LEU 2283Ca -0.01 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.69 1ddx n LEU 2283Cb 0.04 0.02 -0.04 0.00 -2.33 0.00 0.00 43.42 41.11 1ddx n LEU 2283CO 0.04 0.02 1.65 -1.10 -1.33 0.00 0.00 177.39 176.67 1ddx s GLN 2284N -2.52 2.05 0.32 3.23 -0.21 -0.21 -4.93 119.66 117.38 1ddx s GLN 2284Ca -0.03 0.85 -0.23 0.00 0.02 0.00 0.00 55.36 55.97 1ddx s GLN 2284Cb 0.05 -4.67 -0.10 0.00 1.00 0.00 0.00 33.01 29.30 1ddx s GLN 2284CO 0.34 -3.59 0.87 -0.06 -2.12 0.00 0.00 175.29 170.73 1ddx s PHE 2285N 12.42 3.59 -0.18 0.91 2.99 -1.26 -1.36 117.98 135.09 1ddx s PHE 2285Ca 0.89 1.61 -0.01 0.00 0.00 0.00 0.00 56.93 59.41 1ddx s PHE 2285Cb -0.14 -2.80 -0.00 0.00 0.00 0.00 0.00 43.02 40.08 1ddx s PHE 2285CO 0.17 0.18 -0.12 0.00 -0.00 0.00 0.00 175.22 175.45 1ddx s ALA 2286N -1.72 2.60 0.17 5.36 0.00 0.12 -4.69 121.76 123.61 1ddx s ALA 2286Ca 0.51 -1.11 -0.11 0.00 0.00 0.00 0.00 51.96 51.25 1ddx s ALA 2286Cb -0.16 -1.40 -0.00 0.00 0.00 0.00 0.00 23.12 21.56 1ddx s ALA 2286CO 0.21 -0.22 0.34 0.14 0.00 0.00 0.00 175.76 176.23 1ddx s VAL 2287N 1.11 0.05 0.25 0.00 -7.23 -1.26 -4.03 120.40 109.30 1ddx s VAL 2287Ca 0.01 -1.28 0.01 0.00 -1.81 0.00 0.00 61.98 58.91 1ddx s VAL 2287Cb -0.14 -1.81 0.35 0.00 0.56 0.00 0.00 36.38 35.33 1ddx s VAL 2287CO -0.03 -0.24 1.29 0.61 -0.31 0.00 0.00 175.10 176.41 1ddx n GLY 2288N -0.25 -1.13 3.69 2.32 0.00 -0.63 -4.06 105.19 105.13 1ddx n GLY 2288Ca -0.07 0.81 -0.36 0.00 0.00 0.00 0.00 46.02 46.39 1ddx n GLY 2288CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ddx s GLN 2289N -5.78 4.14 0.46 1.61 -1.52 0.16 -3.57 119.66 115.16 1ddx s GLN 2289Ca -0.11 -0.16 0.23 0.00 -1.95 0.00 0.00 55.36 53.37 1ddx s GLN 2289Cb 0.24 -3.50 1.11 0.00 -0.22 0.00 0.00 33.01 30.65 1ddx s GLN 2289CO 0.64 0.13 1.94 1.05 -0.25 0.00 0.00 175.29 178.80 1ddx h GLU 2290N 7.19 0.00 0.06 2.91 4.11 -1.76 -3.21 114.58 123.89 1ddx h GLU 2290Ca -0.39 0.00 -0.28 0.00 0.07 0.00 0.00 59.36 58.76 1ddx h GLU 2290Cb 1.16 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.39 1ddx h GLU 2290CO 0.70 0.22 -1.42 -0.24 0.07 0.00 0.00 179.01 178.34 1ddx h VAL 2291N 0.00 1.25 0.00 -1.06 3.04 -1.90 0.40 116.25 117.98 1ddx h VAL 2291Ca -0.00 -2.95 0.00 0.00 -1.01 0.00 0.00 66.70 62.74 1ddx h VAL 2291Cb 0.53 2.72 0.00 0.00 -2.01 0.00 0.00 31.29 32.53 1ddx h VAL 2291CO 0.03 0.80 0.41 0.49 -1.01 0.00 0.00 177.57 178.28 1ddx n PHE 2292N -3.35 0.00 0.16 3.17 3.01 -1.21 -1.68 117.46 117.56 1ddx n PHE 2292Ca -0.12 0.00 0.04 0.00 1.01 0.00 0.00 57.45 58.38 1ddx n PHE 2292Cb 1.02 -0.07 0.10 0.00 -0.01 0.00 0.00 39.48 40.52 1ddx n PHE 2292CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 1ddx h GLY 2293N 0.00 0.00 0.37 1.37 0.00 -1.81 -3.15 103.07 99.84 1ddx h GLY 2293Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ddx h GLY 2293CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.58 1ddx n LEU 2294N -3.26 0.00 -3.43 3.11 4.77 -0.68 -4.48 117.00 113.04 1ddx n LEU 2294Ca 0.02 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.78 1ddx n LEU 2294Cb 0.67 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.66 1ddx n LEU 2294CO 0.39 0.00 -0.23 -0.69 -1.33 0.00 0.00 177.39 175.53 1ddx s VAL 2295N -2.00 -0.22 0.63 4.08 1.01 -1.23 -1.35 120.40 121.31 1ddx s VAL 2295Ca 0.14 -0.91 0.23 0.00 0.00 0.00 0.00 61.98 61.44 1ddx s VAL 2295Cb 0.06 -0.92 0.29 0.00 0.00 0.00 0.00 36.38 35.81 1ddx s VAL 2295CO 0.11 -0.65 1.55 -0.65 0.00 0.00 0.00 175.10 175.46 1ddx h PRO 2296N 7.72 0.00 0.06 2.72 0.11 -1.80 0.84 132.00 141.65 1ddx h PRO 2296Ca -0.06 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.05 1ddx h PRO 2296Cb 1.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1ddx h PRO 2296CO 0.30 0.00 -0.03 0.78 -0.21 0.00 0.00 178.00 178.84 1ddx h GLY 2297N 0.00 -0.09 0.26 -0.55 0.00 -1.93 -1.71 103.07 99.05 1ddx h GLY 2297Ca 0.20 0.03 -0.01 0.00 0.00 0.00 0.00 47.33 47.55 1ddx h GLY 2297CO -0.00 -0.03 -0.14 1.41 0.00 0.00 0.00 176.54 177.78 1ddx h LEU 2298N -0.41 -0.33 -0.76 3.11 4.07 0.36 -2.95 115.31 118.40 1ddx h LEU 2298Ca -0.01 0.01 0.22 0.00 0.08 0.00 0.00 57.88 58.19 1ddx h LEU 2298Cb 0.36 0.09 -0.14 0.00 1.08 0.00 0.00 40.66 42.05 1ddx h LEU 2298CO 0.01 -0.22 0.06 0.80 -1.08 0.00 0.00 178.44 178.01 1ddx n MET 2299N -3.04 -0.06 0.20 1.13 1.56 -0.34 0.25 117.12 116.81 1ddx n MET 2299Ca -0.05 1.13 -0.17 0.00 -0.27 0.00 0.00 57.70 58.35 1ddx n MET 2299Cb 0.15 -1.82 -0.09 0.00 2.15 0.00 0.00 33.22 33.60 1ddx n MET 2299CO 0.00 0.00 0.00 1.98 -0.73 0.00 0.00 175.97 177.22 1ddx h MET 2300N 0.00 -0.80 -0.16 2.12 1.85 -1.14 -0.61 114.93 116.18 1ddx h MET 2300Ca 0.48 0.05 0.05 0.00 -0.61 0.00 0.00 59.70 59.68 1ddx h MET 2300Cb 1.04 0.18 -0.06 0.00 0.43 0.00 0.00 31.60 33.19 1ddx h MET 2300CO -0.70 -0.54 -0.26 1.88 -0.40 0.00 0.00 176.91 176.89 1ddx h TYR 2301N -0.83 -0.71 0.00 1.39 0.05 -0.05 -0.87 116.97 115.95 1ddx h TYR 2301Ca -0.02 0.04 0.00 0.00 0.05 0.00 0.00 58.73 58.79 1ddx h TYR 2301Cb 0.78 0.34 0.00 0.00 1.01 0.00 0.00 36.73 38.86 1ddx h TYR 2301CO -0.34 -0.34 0.00 0.00 -1.05 0.00 0.00 178.16 176.43 1ddx n ALA 2302N -2.78 0.00 -0.12 3.88 0.00 -0.50 0.23 120.51 121.22 1ddx n ALA 2302Ca -0.02 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.49 1ddx n ALA 2302Cb 0.30 0.23 0.13 0.00 0.00 0.00 0.00 19.45 20.11 1ddx n ALA 2302CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1ddx n THR 2303N -0.94 -0.15 0.00 0.00 -1.04 -0.27 0.91 114.28 112.79 1ddx n THR 2303Ca 0.00 0.78 0.00 0.00 -2.04 0.00 0.00 64.05 62.79 1ddx n THR 2303Cb 0.00 -1.17 0.00 0.00 -1.82 0.00 0.00 70.33 67.34 1ddx n THR 2303CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 1ddx n ILE 2304N -4.19 0.00 -0.30 12.58 5.41 0.14 -0.99 119.36 132.00 1ddx n ILE 2304Ca 0.10 1.41 -0.00 0.00 1.00 0.00 0.00 62.75 65.26 1ddx n ILE 2304Cb 0.33 -2.41 0.06 0.00 -0.71 0.00 0.00 39.64 36.90 1ddx n ILE 2304CO 0.00 0.00 0.00 -0.50 0.00 0.00 0.00 176.55 176.05 1ddx h TRP 2305N 0.00 -0.81 -0.50 1.39 -0.00 0.27 0.80 115.95 117.09 1ddx h TRP 2305Ca 0.00 0.09 0.09 0.00 -0.00 0.00 0.00 58.89 59.07 1ddx h TRP 2305Cb 0.00 0.48 -0.10 0.00 -0.00 0.00 0.00 29.16 29.54 1ddx h TRP 2305CO 0.19 -0.39 -0.33 1.25 -0.00 0.00 0.00 178.44 179.17 1ddx h LEU 2306N -0.05 -1.12 -0.89 -4.49 6.46 -0.86 0.96 115.31 115.31 1ddx h LEU 2306Ca 0.34 0.21 0.10 0.00 -0.12 0.00 0.00 57.88 58.41 1ddx h LEU 2306Cb 0.60 0.54 -0.08 0.00 -0.73 0.00 0.00 40.66 40.99 1ddx h LEU 2306CO -0.87 -0.31 0.53 0.03 -0.62 0.00 0.00 178.44 177.20 1ddx h ARG 2307N -0.20 0.84 0.19 1.25 3.08 0.22 -2.11 114.38 117.65 1ddx h ARG 2307Ca 0.20 -0.05 0.01 0.00 0.07 0.00 0.00 59.98 60.21 1ddx h ARG 2307Cb 0.54 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 30.37 1ddx h ARG 2307CO -0.61 0.56 -0.31 1.49 -1.07 0.00 0.00 179.97 180.03 1ddx h GLU 2308N 0.87 -0.56 0.00 0.04 4.57 0.44 0.90 114.58 120.84 1ddx h GLU 2308Ca 0.44 0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.65 1ddx h GLU 2308Cb 0.41 0.13 0.00 0.00 -0.16 0.00 0.00 28.75 29.13 1ddx h GLU 2308CO -0.26 -0.37 0.00 1.58 -1.18 0.00 0.00 179.01 178.78 1ddx n HIS 2309N -5.42 0.00 -0.29 0.92 -0.00 0.10 -0.46 115.22 110.07 1ddx n HIS 2309Ca -0.08 0.00 0.30 0.00 0.46 0.00 0.00 57.72 58.40 1ddx n HIS 2309Cb 0.32 -0.29 0.66 0.00 -0.12 0.00 0.00 29.99 30.57 1ddx n HIS 2309CO 0.00 0.00 0.00 -0.91 0.46 0.00 0.00 176.34 175.89 1ddx h ASN 2310N 0.00 0.16 0.01 0.26 4.21 -1.47 0.74 115.58 119.48 1ddx h ASN 2310Ca 0.00 0.03 -0.00 0.00 1.21 0.00 0.00 56.30 57.54 1ddx h ASN 2310Cb 0.00 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.20 1ddx h ASN 2310CO 0.00 0.03 -0.00 -0.09 -1.29 0.00 0.00 177.43 176.08 1ddx h ARG 2311N 0.14 -0.01 -0.28 0.81 2.43 0.12 -2.25 114.38 115.34 1ddx h ARG 2311Ca 0.55 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.75 1ddx h ARG 2311Cb 1.89 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 31.42 1ddx h ARG 2311CO -0.11 0.01 0.11 0.28 -1.51 0.00 0.00 179.97 178.75 1ddx h VAL 2312N -0.03 0.94 -0.78 0.20 2.07 0.31 -2.58 116.25 116.39 1ddx h VAL 2312Ca -0.00 -0.08 0.15 0.00 0.82 0.00 0.00 66.70 67.58 1ddx h VAL 2312Cb 0.02 0.68 -0.15 0.00 -1.52 0.00 0.00 31.29 30.33 1ddx h VAL 2312CO 0.00 0.04 -0.25 0.00 0.02 0.00 0.00 177.57 177.39 1ddx h ASP 2314N -0.03 0.17 -0.89 0.00 3.45 -1.02 0.17 116.42 118.27 1ddx h ASP 2314Ca 0.35 0.04 0.07 0.00 0.43 0.00 0.00 57.03 57.92 1ddx h ASP 2314Cb 0.58 0.02 -0.07 0.00 -0.56 0.00 0.00 39.33 39.30 1ddx h ASP 2314CO -0.81 0.13 0.55 0.40 -1.57 0.00 0.00 179.24 177.95 1ddx h ILE 2315N 0.31 1.02 0.70 0.35 2.04 -0.46 -1.25 117.51 120.22 1ddx h ILE 2315Ca 0.18 -0.34 -0.03 0.00 1.00 0.00 0.00 64.86 65.67 1ddx h ILE 2315Cb 0.15 -0.05 0.01 0.00 -0.74 0.00 0.00 36.82 36.18 1ddx h ILE 2315CO -0.17 0.18 -0.34 -0.07 0.00 0.00 0.00 178.15 177.75 1ddx h LEU 2316N 0.98 -0.79 -0.89 1.44 3.38 -0.08 -2.18 115.31 117.17 1ddx h LEU 2316Ca 0.40 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.40 1ddx h LEU 2316Cb 0.23 0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1ddx h LEU 2316CO -0.19 -0.44 0.60 0.50 0.09 0.00 0.00 178.44 179.00 1ddx h LYS 2317N -1.20 0.00 0.02 1.13 3.64 -0.37 1.82 116.57 121.61 1ddx h LYS 2317Ca -0.10 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.26 1ddx h LYS 2317Cb 0.72 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.54 1ddx h LYS 2317CO 0.16 0.00 -0.11 0.37 -2.27 0.00 0.00 179.45 177.59 1ddx h GLN 2318N 0.00 0.04 -0.35 1.90 5.75 -0.90 -3.17 115.11 118.38 1ddx h GLN 2318Ca 0.00 -0.07 -0.02 0.00 -0.15 0.00 0.00 58.65 58.42 1ddx h GLN 2318Cb 1.21 0.02 -0.02 0.00 1.07 0.00 0.00 27.48 29.77 1ddx h GLN 2318CO 0.00 1.03 0.15 0.93 -2.65 0.00 0.00 178.83 178.30 1ddx h GLU 2319N -0.92 0.51 -3.05 1.69 3.07 0.32 -3.36 114.58 112.84 1ddx h GLU 2319Ca -0.02 -0.08 -0.62 0.00 -0.50 0.00 0.00 59.36 58.14 1ddx h GLU 2319Cb 1.09 -0.09 -0.42 0.00 -0.84 0.00 0.00 28.75 28.49 1ddx h GLU 2319CO 0.02 0.48 -0.61 -1.01 -1.40 0.00 0.00 179.01 176.49 1ddx s HIS 2320N -5.63 3.31 -1.20 4.33 3.76 0.11 -4.87 115.29 115.10 1ddx s HIS 2320Ca -0.13 -3.23 0.06 0.00 -0.15 0.00 0.00 55.06 51.60 1ddx s HIS 2320Cb 0.09 -2.56 0.27 0.00 1.11 0.00 0.00 32.58 31.50 1ddx s HIS 2320CO 0.74 -0.59 1.11 -0.35 -0.85 0.00 0.00 174.74 174.80 1ddx n PRO 2321N 2.15 0.04 -0.73 8.40 -0.04 -1.20 -1.41 135.00 142.22 1ddx n PRO 2321Ca 0.19 0.32 0.08 0.00 -0.04 0.00 0.00 63.50 64.05 1ddx n PRO 2321Cb 0.36 -1.50 0.36 0.00 -0.04 0.00 0.00 33.50 32.67 1ddx n PRO 2321CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1ddx n GLU 2322N -1.40 4.18 -3.77 0.54 -0.00 -1.26 -4.99 120.64 113.94 1ddx n GLU 2322Ca 0.02 -3.03 -0.20 0.00 -0.00 0.00 0.00 57.16 53.95 1ddx n GLU 2322Cb 0.06 -2.09 -0.02 0.00 -0.00 0.00 0.00 31.44 29.39 1ddx n GLU 2322CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.13 175.55 1ddx s TRP 2323N -2.66 3.26 0.27 -1.84 0.52 -0.50 -5.12 118.94 112.87 1ddx s TRP 2323Ca 0.50 -0.12 0.06 0.00 0.02 0.00 0.00 56.10 56.55 1ddx s TRP 2323Cb 0.38 -1.74 -0.02 0.00 -1.15 0.00 0.00 33.47 30.94 1ddx s TRP 2323CO 0.15 0.25 0.39 0.20 0.02 0.00 0.00 176.95 177.96 1ddx s GLY 2324N -4.05 1.35 0.09 0.98 0.00 -1.26 -4.94 107.32 99.49 1ddx s GLY 2324Ca 0.39 -1.31 -0.24 0.00 0.00 0.00 0.00 44.72 43.55 1ddx s GLY 2324CO 0.29 -1.30 1.40 -1.80 0.00 0.00 0.00 173.10 171.69 1ddx h ASP 2325N 1.09 -1.29 0.00 1.64 3.58 -1.94 0.11 116.42 119.61 1ddx h ASP 2325Ca -0.50 0.16 0.00 0.00 0.42 0.00 0.00 57.03 57.11 1ddx h ASP 2325Cb 1.24 0.51 0.00 0.00 1.72 0.00 0.00 39.33 42.80 1ddx h ASP 2325CO 0.58 -0.33 0.08 -0.33 -2.88 0.00 0.00 179.24 176.36 1ddx h GLU 2326N -0.38 0.00 0.10 0.28 4.39 -1.96 0.23 114.58 117.24 1ddx h GLU 2326Ca 0.03 0.00 -0.37 0.00 0.34 0.00 0.00 59.36 59.37 1ddx h GLU 2326Cb 0.47 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.10 1ddx h GLU 2326CO -0.36 0.00 -2.06 0.94 -1.16 0.00 0.00 179.01 176.37 1ddx n GLN 2327N -2.27 0.74 0.47 2.33 7.27 0.06 -3.19 117.38 122.79 1ddx n GLN 2327Ca -0.01 0.24 -0.18 0.00 0.07 0.00 0.00 57.00 57.12 1ddx n GLN 2327Cb 0.11 -1.68 -0.09 0.00 2.41 0.00 0.00 30.24 30.99 1ddx n GLN 2327CO 0.00 0.00 0.00 -0.07 0.07 0.00 0.00 177.06 177.06 1ddx h LEU 2328N 0.06 -1.01 -0.96 1.69 3.38 0.03 0.21 115.31 118.70 1ddx h LEU 2328Ca -0.44 0.04 0.30 0.00 0.09 0.00 0.00 57.88 57.87 1ddx h LEU 2328Cb 2.02 0.26 -0.17 0.00 0.09 0.00 0.00 40.66 42.86 1ddx h LEU 2328CO 0.06 -0.72 0.26 0.15 0.09 0.00 0.00 178.44 178.29 1ddx h PHE 2329N -1.18 0.37 0.04 1.13 3.57 -1.04 0.27 116.94 120.09 1ddx h PHE 2329Ca -0.12 0.05 -0.24 0.00 3.53 0.00 0.00 57.97 61.20 1ddx h PHE 2329Cb 0.91 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.65 1ddx h PHE 2329CO 0.03 -0.36 -1.03 1.96 -2.23 0.00 0.00 178.31 176.68 1ddx h GLN 2330N 0.09 0.35 -0.20 1.11 1.08 -1.42 -2.82 115.11 113.29 1ddx h GLN 2330Ca 0.66 -0.43 -0.04 0.00 -1.45 0.00 0.00 58.65 57.39 1ddx h GLN 2330Cb 1.50 0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 29.05 1ddx h GLN 2330CO -0.78 1.13 -0.02 1.15 -0.95 0.00 0.00 178.83 179.36 1ddx h THR 2331N 0.17 1.27 -0.02 -0.54 2.02 0.22 -2.39 112.91 113.64 1ddx h THR 2331Ca -0.09 -0.94 0.00 0.00 0.77 0.00 0.00 66.41 66.15 1ddx h THR 2331Cb 1.69 1.49 -0.01 0.00 -1.74 0.00 0.00 68.15 69.58 1ddx h THR 2331CO 0.17 0.29 -0.07 0.28 0.37 0.00 0.00 175.52 176.56 1ddx h SER 2332N 0.11 -0.23 -1.88 4.18 0.02 -0.67 0.21 113.55 115.29 1ddx h SER 2332Ca 0.05 0.03 0.55 0.00 -0.84 0.00 0.00 61.79 61.58 1ddx h SER 2332Cb 0.44 0.09 -0.08 0.00 0.14 0.00 0.00 62.40 62.99 1ddx h SER 2332CO 0.01 -0.06 1.36 -0.09 -1.14 0.00 0.00 176.83 176.91 1ddx h ARG 2333N -0.07 0.00 0.00 3.45 2.43 -1.47 1.04 114.38 119.76 1ddx h ARG 2333Ca 0.01 -0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.09 1ddx h ARG 2333Cb 0.09 -0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.65 1ddx h ARG 2333CO -0.06 0.00 -0.33 -0.07 -1.51 0.00 0.00 179.97 178.00 1ddx h LEU 2334N 0.00 0.29 0.17 3.80 3.38 -0.15 -2.09 115.31 120.71 1ddx h LEU 2334Ca 0.89 -0.78 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1ddx h LEU 2334Cb 3.60 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 44.26 1ddx h LEU 2334CO -0.01 1.03 -0.08 0.40 0.09 0.00 0.00 178.44 179.87 1ddx h ILE 2335N -0.42 0.87 0.07 1.22 2.04 0.30 -1.76 117.51 119.83 1ddx h ILE 2335Ca -0.04 -0.12 0.02 0.00 1.00 0.00 0.00 64.86 65.72 1ddx h ILE 2335Cb 1.08 0.94 -0.04 0.00 -0.74 0.00 0.00 36.82 38.06 1ddx h ILE 2335CO 0.07 0.03 -0.26 -0.07 0.00 0.00 0.00 178.15 177.91 1ddx h LEU 2336N -0.28 -0.75 -0.88 1.44 4.07 -0.70 0.14 115.31 118.34 1ddx h LEU 2336Ca -0.02 0.09 0.23 0.00 0.08 0.00 0.00 57.88 58.26 1ddx h LEU 2336Cb 0.22 0.30 -0.13 0.00 1.08 0.00 0.00 40.66 42.12 1ddx h LEU 2336CO 0.04 -0.34 0.33 0.40 -1.08 0.00 0.00 178.44 177.79 1ddx h ILE 2337N -0.44 0.41 0.57 1.22 2.04 -1.26 0.15 117.51 120.20 1ddx h ILE 2337Ca 0.04 -0.11 -0.02 0.00 1.00 0.00 0.00 64.86 65.78 1ddx h ILE 2337Cb 0.49 0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 36.62 1ddx h ILE 2337CO -0.18 0.06 -0.46 1.23 0.00 0.00 0.00 178.15 178.79 1ddx h GLY 2338N 0.32 -1.17 -0.55 5.37 0.00 0.09 -0.81 103.07 106.30 1ddx h GLY 2338Ca 0.55 0.53 0.05 0.00 0.00 0.00 0.00 47.33 48.47 1ddx h GLY 2338CO -0.57 -0.38 -0.46 0.83 0.00 0.00 0.00 176.54 175.95 1ddx h GLU 2339N -1.01 -0.16 -0.46 4.80 5.08 0.14 0.82 114.58 123.80 1ddx h GLU 2339Ca -0.07 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.35 1ddx h GLU 2339Cb 0.85 0.04 -0.07 0.00 0.50 0.00 0.00 28.75 30.07 1ddx h GLU 2339CO -0.01 -0.11 -0.39 1.15 -1.00 0.00 0.00 179.01 178.66 1ddx h THR 2340N -0.17 0.00 -1.13 1.13 2.02 -0.82 0.95 112.91 114.89 1ddx h THR 2340Ca 0.09 0.00 0.31 0.00 0.77 0.00 0.00 66.41 67.58 1ddx h THR 2340Cb 0.41 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 66.74 1ddx h THR 2340CO -0.61 0.00 0.76 0.40 0.37 0.00 0.00 175.52 176.44 1ddx h ILE 2341N -0.15 0.44 0.10 3.11 1.08 0.03 0.16 117.51 122.28 1ddx h ILE 2341Ca 0.08 -0.07 -0.00 0.00 -0.39 0.00 0.00 64.86 64.47 1ddx h ILE 2341Cb 0.34 0.22 0.00 0.00 -3.07 0.00 0.00 36.82 34.31 1ddx h ILE 2341CO -0.51 0.04 -0.05 0.50 -0.69 0.00 0.00 178.15 177.44 1ddx h LYS 2342N 0.21 -0.13 -1.29 2.37 1.63 0.29 -2.69 116.57 116.96 1ddx h LYS 2342Ca 0.60 0.01 0.37 0.00 -0.85 0.00 0.00 60.65 60.78 1ddx h LYS 2342Cb 1.91 0.03 -0.05 0.00 -0.60 0.00 0.00 32.23 33.52 1ddx h LYS 2342CO -0.19 -0.09 0.93 0.82 -3.45 0.00 0.00 179.45 177.47 1ddx h ILE 2343N -0.26 0.35 0.00 2.00 2.04 0.11 0.13 117.51 121.87 1ddx h ILE 2343Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.85 1ddx h ILE 2343Cb 0.10 0.35 0.00 0.00 -0.74 0.00 0.00 36.82 36.54 1ddx h ILE 2343CO 0.02 0.00 0.00 0.52 0.00 0.00 0.00 178.15 178.69 1ddx n VAL 2344N -4.14 0.00 -0.21 1.67 0.31 0.49 -2.11 118.33 114.34 1ddx n VAL 2344Ca 0.28 0.76 -0.06 0.00 -0.01 0.00 0.00 64.34 65.30 1ddx n VAL 2344Cb 1.35 -1.72 -0.01 0.00 -0.91 0.00 0.00 33.84 32.55 1ddx n VAL 2344CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1ddx h ILE 2345N 0.00 0.13 0.00 2.52 2.04 -1.03 -0.63 117.51 120.53 1ddx h ILE 2345Ca 0.00 0.00 -0.15 0.00 1.00 0.00 0.00 64.86 65.71 1ddx h ILE 2345Cb 0.00 0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 36.18 1ddx h ILE 2345CO 0.00 0.00 -0.70 -0.33 0.00 0.00 0.00 178.15 177.12 1ddx h GLU 2346N -0.19 0.00 0.00 2.37 5.08 -0.94 -2.84 114.58 118.06 1ddx h GLU 2346Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1ddx h GLU 2346Cb 0.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1ddx h GLU 2346CO -0.70 0.70 0.00 -0.25 -1.00 0.00 0.00 179.01 177.76 1ddx n ASP 2347N -3.57 0.00 0.00 1.42 8.00 -0.90 -4.30 116.55 117.20 1ddx n ASP 2347Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1ddx n ASP 2347Cb 0.72 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.82 1ddx n ASP 2347CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ddx n TYR 2348N 0.00 0.00 -0.28 1.24 9.36 -1.06 0.22 117.16 126.64 1ddx n TYR 2348Ca 0.00 0.00 0.16 0.00 3.32 0.00 0.00 57.90 61.38 1ddx n TYR 2348Cb 0.00 0.00 0.31 0.00 -0.63 0.00 0.00 39.34 39.02 1ddx n TYR 2348CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 1ddx n VAL 2349N 0.00 -0.35 0.06 2.97 0.31 -0.27 -0.85 118.33 120.20 1ddx n VAL 2349Ca 0.00 1.79 -0.07 0.00 -0.01 0.00 0.00 64.34 66.04 1ddx n VAL 2349Cb 0.00 -2.69 -0.04 0.00 -0.91 0.00 0.00 33.84 30.20 1ddx n VAL 2349CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 1ddx h GLN 2350N 0.00 -0.34 -0.24 5.55 5.75 0.30 -1.95 115.11 124.18 1ddx h GLN 2350Ca 0.56 0.02 0.04 0.00 -0.15 0.00 0.00 58.65 59.12 1ddx h GLN 2350Cb 1.27 0.08 -0.07 0.00 1.07 0.00 0.00 27.48 29.82 1ddx h GLN 2350CO -0.74 -0.22 -0.52 1.25 -2.65 0.00 0.00 178.83 175.94 1ddx h HIS 2351N -0.35 -1.56 -1.32 3.99 2.76 0.36 0.87 115.15 119.90 1ddx h HIS 2351Ca -0.01 0.07 0.38 0.00 -2.20 0.00 0.00 60.37 58.61 1ddx h HIS 2351Cb 0.34 0.72 -0.05 0.00 1.55 0.00 0.00 27.41 29.97 1ddx h HIS 2351CO -0.34 -0.51 1.18 1.25 -1.30 0.00 0.00 177.93 178.21 1ddx h LEU 2352N -0.50 0.00 0.00 0.26 5.85 -1.05 0.75 115.31 120.63 1ddx h LEU 2352Ca 0.06 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.71 1ddx h LEU 2352Cb 0.64 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.66 1ddx h LEU 2352CO -0.50 0.00 -1.55 -1.54 -0.34 0.00 0.00 178.44 174.51 1ddx n SER 2353N -3.62 0.49 -1.53 1.25 3.41 0.25 -4.88 113.62 108.98 1ddx n SER 2353Ca 0.29 0.20 -0.17 0.00 -0.26 0.00 0.00 58.87 58.93 1ddx n SER 2353Cb 1.59 0.96 -0.07 0.00 -0.26 0.00 0.00 64.21 66.43 1ddx n SER 2353CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ddx n GLY 2354N 1.30 1.60 3.79 5.00 0.00 0.26 -4.93 105.19 112.21 1ddx n GLY 2354Ca -0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.65 1ddx n GLY 2354CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ddx s TYR 2355N -2.48 2.84 -0.11 1.61 2.02 -1.26 -4.64 117.35 115.32 1ddx s TYR 2355Ca 0.00 1.33 0.16 0.00 -0.37 0.00 0.00 57.07 58.19 1ddx s TYR 2355Cb 0.00 -3.02 -0.17 0.00 -0.40 0.00 0.00 41.96 38.37 1ddx s TYR 2355CO 0.00 -1.65 0.73 0.72 -1.57 0.00 0.00 175.55 173.78 1ddx n HIS 2356N -3.39 0.89 -2.12 2.71 8.25 0.49 -4.84 115.22 117.21 1ddx n HIS 2356Ca 0.08 0.30 -0.42 0.00 -0.26 0.00 0.00 57.72 57.42 1ddx n HIS 2356Cb 0.55 -1.08 -0.03 0.00 1.12 0.00 0.00 29.99 30.55 1ddx n HIS 2356CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 1ddx s PHE 2357N -2.86 3.18 -0.50 4.41 5.36 -1.26 -4.82 117.98 121.50 1ddx s PHE 2357Ca -0.04 0.96 -0.28 0.00 -0.96 0.00 0.00 56.93 56.62 1ddx s PHE 2357Cb 0.09 -3.73 0.03 0.00 -0.34 0.00 0.00 43.02 39.07 1ddx s PHE 2357CO 0.82 -2.49 1.11 0.15 -1.46 0.00 0.00 175.22 173.34 1ddx s LYS 2358N 0.64 3.64 0.27 10.12 1.02 -1.26 -4.98 119.74 129.20 1ddx s LYS 2358Ca 0.63 0.41 -0.30 0.00 0.02 0.00 0.00 55.97 56.73 1ddx s LYS 2358Cb -0.39 -3.94 -0.12 0.00 -0.52 0.00 0.00 37.83 32.87 1ddx s LYS 2358CO 0.34 -1.41 1.64 1.28 -0.92 0.00 0.00 175.35 176.27 1ddx n LEU 2359N 7.83 4.32 -4.37 3.17 4.77 -1.26 -4.99 117.00 126.47 1ddx n LEU 2359Ca 0.10 1.13 -0.31 0.00 -0.03 0.00 0.00 56.01 56.89 1ddx n LEU 2359Cb 0.49 -1.60 -0.15 0.00 -2.33 0.00 0.00 43.42 39.83 1ddx n LEU 2359CO 0.70 0.18 -0.53 -0.75 -1.33 0.00 0.00 177.39 175.66 1ddx s LYS 2360N -0.10 2.18 -0.41 3.23 2.20 -1.26 -4.56 119.74 121.01 1ddx s LYS 2360Ca 0.67 -0.89 -0.07 0.00 -0.36 0.00 0.00 55.97 55.32 1ddx s LYS 2360Cb -0.49 -2.13 0.09 0.00 -1.51 0.00 0.00 37.83 33.79 1ddx s LYS 2360CO 0.44 0.57 0.23 0.12 -0.36 0.00 0.00 175.35 176.36 1ddx s PHE 2361N -0.68 3.42 -0.28 4.03 5.36 -1.26 -4.96 117.98 123.61 1ddx s PHE 2361Ca 0.11 -1.87 -0.00 0.00 -0.96 0.00 0.00 56.93 54.21 1ddx s PHE 2361Cb -0.10 -3.04 0.14 0.00 -0.34 0.00 0.00 43.02 39.68 1ddx s PHE 2361CO 0.00 -0.90 0.34 0.34 -1.46 0.00 0.00 175.22 173.54 1ddx s ASP 2362N 2.05 1.01 0.58 6.13 2.15 -1.26 -5.02 116.67 122.30 1ddx s ASP 2362Ca 0.04 -0.46 0.28 0.00 0.43 0.00 0.00 52.55 52.84 1ddx s ASP 2362Cb -0.23 0.80 1.66 0.00 -0.30 0.00 0.00 42.92 44.84 1ddx s ASP 2362CO -0.00 -0.36 2.14 -0.65 -0.17 0.00 0.00 175.17 176.12 1ddx h PRO 2363N 8.22 0.00 0.00 4.34 0.11 -1.95 -2.01 132.00 140.71 1ddx h PRO 2363Ca -0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.98 1ddx h PRO 2363Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1ddx h PRO 2363CO 0.30 0.00 0.01 0.39 -0.21 0.00 0.00 178.00 178.49 1ddx n GLU 2364N -3.89 0.00 0.06 1.05 1.02 -1.26 -0.20 120.64 117.42 1ddx n GLU 2364Ca 0.00 0.04 0.03 0.00 -0.02 0.00 0.00 57.16 57.21 1ddx n GLU 2364Cb 0.26 -1.51 -0.05 0.00 -0.02 0.00 0.00 31.44 30.12 1ddx n GLU 2364CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1ddx h LEU 2365N 0.00 0.00 -1.98 -4.62 3.38 -1.78 -3.34 115.31 106.98 1ddx h LEU 2365Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ddx h LEU 2365Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1ddx h LEU 2365CO 0.00 0.45 0.00 0.18 0.09 0.00 0.00 178.44 179.16 1ddx n LEU 2366N -2.90 3.05 -0.45 1.67 4.77 0.72 -4.51 117.00 119.35 1ddx n LEU 2366Ca -0.06 -1.08 0.00 0.00 -0.03 0.00 0.00 56.01 54.83 1ddx n LEU 2366Cb 0.77 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.81 1ddx n LEU 2366CO 0.42 0.54 0.10 0.49 -1.33 0.00 0.00 177.39 177.61 1ddx n PHE 2367N 1.34 0.00 -1.82 -1.77 0.99 -1.22 -0.16 117.46 114.82 1ddx n PHE 2367Ca 0.15 0.00 -0.00 0.00 -0.00 0.00 0.00 57.45 57.60 1ddx n PHE 2367Cb 0.59 -0.03 -0.00 0.00 -1.00 0.00 0.00 39.48 39.04 1ddx n PHE 2367CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.76 177.03 1ddx n ASN 2368N 0.23 -0.06 -4.26 4.37 6.94 -1.26 -5.09 115.26 116.13 1ddx n ASN 2368Ca 0.00 -0.87 -0.32 0.00 -0.02 0.00 0.00 54.58 53.37 1ddx n ASN 2368Cb 0.08 0.02 -0.16 0.00 -2.36 0.00 0.00 39.78 37.36 1ddx n ASN 2368CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 1ddx s GLN 2369N 0.00 3.16 -0.69 -3.83 -1.52 0.77 -5.02 119.66 112.53 1ddx s GLN 2369Ca 0.00 -0.81 -0.26 0.00 -1.95 0.00 0.00 55.36 52.34 1ddx s GLN 2369Cb 0.00 -2.44 -0.24 0.00 -0.22 0.00 0.00 33.01 30.11 1ddx s GLN 2369CO 0.00 0.16 1.87 1.04 -0.25 0.00 0.00 175.29 178.11 1ddx n GLN 2370N 3.62 0.63 -4.74 2.91 6.02 -1.26 -4.85 117.38 119.71 1ddx n GLN 2370Ca -0.19 -1.65 -0.33 0.00 -0.01 0.00 0.00 57.00 54.82 1ddx n GLN 2370Cb 0.53 -3.24 -0.14 0.00 1.02 0.00 0.00 30.24 28.41 1ddx n GLN 2370CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 1ddx s PHE 2371N 10.46 2.83 -0.82 1.08 5.36 -1.26 -5.03 117.98 130.60 1ddx s PHE 2371Ca 0.70 -0.49 -0.22 0.00 -0.96 0.00 0.00 56.93 55.96 1ddx s PHE 2371Cb 0.06 -1.82 0.08 0.00 -0.34 0.00 0.00 43.02 41.00 1ddx s PHE 2371CO 0.22 -0.10 1.15 -0.65 -1.46 0.00 0.00 175.22 174.37 1ddx s GLN 2372N 0.14 3.36 -0.42 10.12 -1.52 -1.26 -4.93 119.66 125.15 1ddx s GLN 2372Ca -0.06 -1.10 -0.23 0.00 -1.95 0.00 0.00 55.36 52.03 1ddx s GLN 2372Cb -0.15 -4.65 -0.23 0.00 -0.22 0.00 0.00 33.01 27.77 1ddx s GLN 2372CO 0.04 -1.92 1.74 0.66 -0.25 0.00 0.00 175.29 175.56 1ddx n TYR 2373N 7.79 0.95 -3.52 0.91 4.02 -1.26 -4.70 117.16 121.35 1ddx n TYR 2373Ca 0.12 -1.20 -0.10 0.00 -0.01 0.00 0.00 57.90 56.72 1ddx n TYR 2373Cb 0.48 -1.24 -0.02 0.00 -0.02 0.00 0.00 39.34 38.54 1ddx n TYR 2373CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 176.86 176.99 1ddx s GLN 2374N 5.70 1.23 -0.26 -0.72 -2.07 -0.79 -4.66 119.66 118.09 1ddx s GLN 2374Ca 0.57 -0.51 -0.25 0.00 -1.82 0.00 0.00 55.36 53.35 1ddx s GLN 2374Cb 0.13 0.53 0.07 0.00 -1.09 0.00 0.00 33.01 32.65 1ddx s GLN 2374CO 0.19 -0.54 0.71 1.21 -1.32 0.00 0.00 175.29 175.54 1ddx s ASN 2375N -2.72 -0.74 -0.08 12.60 2.47 -1.26 -4.70 114.94 120.51 1ddx s ASN 2375Ca 0.04 1.39 0.02 0.00 0.42 0.00 0.00 52.86 54.74 1ddx s ASN 2375Cb -0.02 1.40 0.01 0.00 -1.45 0.00 0.00 41.25 41.20 1ddx s ASN 2375CO -0.08 -0.27 -0.15 -0.60 -3.72 0.00 0.00 177.10 172.28 1ddx s ARG 2376N 0.29 2.10 -0.07 0.43 6.06 -1.26 -4.79 118.95 121.70 1ddx s ARG 2376Ca -0.01 -0.54 -0.30 0.00 -2.50 0.00 0.00 55.73 52.39 1ddx s ARG 2376Cb -0.05 -1.71 -0.02 0.00 0.06 0.00 0.00 34.95 33.23 1ddx s ARG 2376CO 0.01 0.03 1.13 0.42 -2.50 0.00 0.00 175.30 174.39 1ddx s ILE 2377N 0.70 4.45 0.32 4.11 1.09 -1.26 -4.78 121.20 125.83 1ddx s ILE 2377Ca -0.13 1.76 -0.18 0.00 -1.10 0.00 0.00 60.65 60.99 1ddx s ILE 2377Cb -0.16 -4.13 -0.09 0.00 -1.06 0.00 0.00 42.46 37.02 1ddx s ILE 2377CO 0.03 0.00 0.79 0.00 -0.10 0.00 0.00 174.94 175.66 1ddx s ALA 2378N 2.13 3.28 0.09 9.38 0.00 -1.25 -0.75 121.76 134.65 1ddx s ALA 2378Ca 0.53 0.17 -0.27 0.00 0.00 0.00 0.00 51.96 52.39 1ddx s ALA 2378Cb -0.22 -2.88 -0.15 0.00 0.00 0.00 0.00 23.12 19.87 1ddx s ALA 2378CO 0.20 0.28 1.68 1.03 0.00 0.00 0.00 175.76 178.96 1ddx h SER 2379N 2.55 -0.41 -0.16 0.00 0.87 -0.85 -2.70 113.55 112.84 1ddx h SER 2379Ca -0.48 0.02 0.02 0.00 -1.23 0.00 0.00 61.79 60.12 1ddx h SER 2379Cb 1.18 0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 63.24 1ddx h SER 2379CO 0.65 -0.26 -0.14 -0.33 -0.53 0.00 0.00 176.83 176.21 1ddx h GLU 2380N -0.42 -0.05 -1.20 2.24 3.07 -1.95 0.48 114.58 116.75 1ddx h GLU 2380Ca -0.03 0.00 0.44 0.00 -0.50 0.00 0.00 59.36 59.28 1ddx h GLU 2380Cb 0.34 0.01 -0.16 0.00 -0.84 0.00 0.00 28.75 28.11 1ddx h GLU 2380CO 0.03 -0.04 0.73 0.35 -1.40 0.00 0.00 179.01 178.68 1ddx h PHE 2381N -0.06 0.66 -0.19 4.33 3.57 -1.93 0.89 116.94 124.22 1ddx h PHE 2381Ca 0.03 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.53 1ddx h PHE 2381Cb 0.13 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.70 1ddx h PHE 2381CO -0.77 -0.36 -0.00 -0.97 -2.23 0.00 0.00 178.31 173.98 1ddx h ASN 2382N 0.02 0.33 0.79 0.41 -0.00 0.23 -2.95 115.58 114.41 1ddx h ASN 2382Ca 0.86 -0.31 -0.04 0.00 -0.00 0.00 0.00 56.30 56.81 1ddx h ASN 2382Cb 2.52 -0.09 0.01 0.00 -0.00 0.00 0.00 38.32 40.76 1ddx h ASN 2382CO -0.60 0.57 -0.38 0.74 -0.00 0.00 0.00 177.43 177.76 1ddx h THR 2383N 0.09 0.15 -0.95 -3.57 2.02 0.21 -1.97 112.91 108.90 1ddx h THR 2383Ca 0.05 -0.12 0.28 0.00 0.77 0.00 0.00 66.41 67.39 1ddx h THR 2383Cb 0.40 0.18 -0.04 0.00 -1.74 0.00 0.00 68.15 66.95 1ddx h THR 2383CO 0.01 0.01 1.14 -0.07 0.37 0.00 0.00 175.52 176.98 1ddx h LEU 2384N -1.16 0.00 -0.65 2.58 3.38 -1.18 0.87 115.31 119.16 1ddx h LEU 2384Ca -0.11 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.80 1ddx h LEU 2384Cb 0.82 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.55 1ddx h LEU 2384CO 0.18 0.00 0.16 0.22 0.09 0.00 0.00 178.44 179.09 1ddx h TYR 2385N 0.00 1.08 -0.01 1.13 3.20 -1.17 -3.39 116.97 117.81 1ddx h TYR 2385Ca 0.45 -0.13 -0.12 0.00 3.14 0.00 0.00 58.73 62.07 1ddx h TYR 2385Cb 2.72 -0.31 0.03 0.00 1.54 0.00 0.00 36.73 40.72 1ddx h TYR 2385CO 0.00 0.89 0.74 0.72 -1.64 0.00 0.00 178.16 178.88 1ddx n HIS 2386N -4.31 0.09 -1.29 -3.82 -0.00 0.30 -4.64 115.22 101.56 1ddx n HIS 2386Ca 0.04 -0.12 -0.30 0.00 -0.00 0.00 0.00 57.72 57.34 1ddx n HIS 2386Cb 0.24 -0.72 0.05 0.00 -0.00 0.00 0.00 29.99 29.56 1ddx n HIS 2386CO 0.00 0.00 0.00 0.91 -0.00 0.00 0.00 176.34 177.25 1ddx n TRP 2387N 6.59 2.64 -0.23 4.41 8.01 -1.26 -4.79 117.44 132.80 1ddx n TRP 2387Ca 0.14 -2.59 0.02 0.00 -1.31 0.00 0.00 57.50 53.75 1ddx n TRP 2387Cb 0.36 -1.29 0.10 0.00 -2.01 0.00 0.00 31.31 28.48 1ddx n TRP 2387CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.69 177.13 1ddx h HIS 2388N 2.03 -0.22 -1.57 -5.99 3.86 -1.96 -1.93 115.15 109.37 1ddx h HIS 2388Ca 0.50 0.06 0.48 0.00 -1.16 0.00 0.00 60.37 60.25 1ddx h HIS 2388Cb 0.74 0.21 -0.08 0.00 1.06 0.00 0.00 27.41 29.33 1ddx h HIS 2388CO 1.24 -0.26 1.10 -2.30 0.86 0.00 0.00 177.93 178.57 1ddx n PRO 2389N -5.40 -0.01 -0.27 2.45 -0.01 -1.26 0.12 135.00 130.63 1ddx n PRO 2389Ca 0.10 0.99 -0.01 0.00 -0.01 0.00 0.00 63.50 64.57 1ddx n PRO 2389Cb 0.38 -2.17 0.12 0.00 -0.01 0.00 0.00 33.50 31.82 1ddx n PRO 2389CO 0.00 0.00 0.00 -0.07 -0.01 0.00 0.00 175.50 175.42 1ddx h LEU 2390N 0.00 0.71 -9.28 2.45 3.38 -1.21 -3.03 115.31 108.33 1ddx h LEU 2390Ca 0.80 0.02 -0.67 0.00 0.09 0.00 0.00 57.88 58.13 1ddx h LEU 2390Cb 3.05 -0.13 0.04 0.00 0.09 0.00 0.00 40.66 43.71 1ddx h LEU 2390CO -0.13 0.46 0.72 0.18 0.09 0.00 0.00 178.44 179.76 1ddx n LEU 2391N -4.69 2.34 0.00 1.67 4.77 0.33 -0.43 117.00 120.99 1ddx n LEU 2391Ca 0.10 1.08 -0.08 0.00 -0.03 0.00 0.00 56.01 57.09 1ddx n LEU 2391Cb 0.17 -1.25 0.06 0.00 -2.33 0.00 0.00 43.42 40.07 1ddx n LEU 2391CO 0.30 -0.62 0.19 -0.81 -1.33 0.00 0.00 177.39 175.13 1ddx n PRO 2392N 3.94 -1.02 -0.03 3.23 -0.04 -1.26 -4.48 135.00 135.33 1ddx n PRO 2392Ca 0.21 -0.49 0.02 0.00 -0.04 0.00 0.00 63.50 63.19 1ddx n PRO 2392Cb 0.21 -0.40 -0.15 0.00 -0.04 0.00 0.00 33.50 33.12 1ddx n PRO 2392CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1ddx n ASP 2393N -3.37 0.13 -4.07 3.54 9.92 -1.26 -4.94 116.55 116.50 1ddx n ASP 2393Ca 0.04 0.06 -0.10 0.00 -0.53 0.00 0.00 54.79 54.26 1ddx n ASP 2393Cb 0.15 1.37 -0.09 0.00 -0.64 0.00 0.00 41.12 41.92 1ddx n ASP 2393CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 1ddx s THR 2394N -3.07 0.07 -0.31 -3.53 -4.23 -1.26 -4.55 115.64 98.75 1ddx s THR 2394Ca -0.08 -1.69 0.04 0.00 -1.18 0.00 0.00 61.69 58.77 1ddx s THR 2394Cb 0.10 -2.05 0.09 0.00 1.34 0.00 0.00 72.50 71.98 1ddx s THR 2394CO 0.87 -0.30 -0.01 -0.36 -0.54 0.00 0.00 174.62 174.28 1ddx s PHE 2395N -4.03 3.54 -0.59 3.99 0.40 0.25 -4.81 117.98 116.74 1ddx s PHE 2395Ca 0.24 -2.73 -0.22 0.00 -0.60 0.00 0.00 56.93 53.61 1ddx s PHE 2395Cb 0.05 -2.54 0.06 0.00 0.51 0.00 0.00 43.02 41.11 1ddx s PHE 2395CO 0.03 -0.92 0.87 -0.80 0.70 0.00 0.00 175.22 175.10 1ddx s ASN 2396N 0.99 6.23 -0.40 1.36 0.02 -1.26 -0.14 114.94 121.74 1ddx s ASN 2396Ca 0.04 -0.82 -0.11 0.00 -1.02 0.00 0.00 52.86 50.95 1ddx s ASN 2396Cb -0.19 -2.39 0.05 0.00 0.02 0.00 0.00 41.25 38.74 1ddx s ASN 2396CO -0.07 -1.24 0.24 -0.63 0.02 0.00 0.00 177.10 175.42 1ddx s ILE 2397N 3.62 4.47 0.00 0.60 -1.09 -1.09 -4.59 121.20 123.11 1ddx s ILE 2397Ca 0.22 -1.12 0.00 0.00 -2.23 0.00 0.00 60.65 57.53 1ddx s ILE 2397Cb -0.17 -3.61 0.00 0.00 -1.58 0.00 0.00 42.46 37.10 1ddx s ILE 2397CO 0.13 -0.38 0.00 1.21 -1.23 0.00 0.00 174.94 174.67 1ddx n GLU 2398N 4.98 0.00 0.00 2.79 2.13 -1.26 -2.90 120.64 126.38 1ddx n GLU 2398Ca -0.11 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.71 1ddx n GLU 2398Cb 0.44 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.15 1ddx n GLU 2398CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1ddx n ASP 2399N 5.38 0.00 -2.78 4.31 8.00 -1.26 -4.87 116.55 125.33 1ddx n ASP 2399Ca 0.00 0.91 -0.26 0.00 0.71 0.00 0.00 54.79 56.15 1ddx n ASP 2399Cb 0.00 -0.49 0.02 0.00 -0.02 0.00 0.00 41.12 40.64 1ddx n ASP 2399CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ddx n GLN 2400N -1.97 0.00 -3.73 -1.24 1.13 -1.14 -4.99 117.38 105.44 1ddx n GLN 2400Ca 0.00 0.00 -0.12 0.00 -1.94 0.00 0.00 57.00 54.94 1ddx n GLN 2400Cb 0.00 -0.69 -0.13 0.00 0.11 0.00 0.00 30.24 29.53 1ddx n GLN 2400CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 1ddx s GLU 2401N -1.39 0.22 0.29 -1.09 2.02 -1.26 -2.67 118.70 114.82 1ddx s GLU 2401Ca 0.27 0.51 0.11 0.00 0.02 0.00 0.00 54.97 55.88 1ddx s GLU 2401Cb -0.03 -0.09 -0.05 0.00 0.10 0.00 0.00 34.13 34.05 1ddx s GLU 2401CO 0.52 -0.15 -0.17 0.71 0.02 0.00 0.00 175.26 176.20 1ddx s TYR 2402N 1.15 2.28 0.27 1.61 2.02 0.80 -4.82 117.35 120.66 1ddx s TYR 2402Ca -0.08 -0.40 0.07 0.00 -0.37 0.00 0.00 57.07 56.29 1ddx s TYR 2402Cb -0.09 -1.08 -0.04 0.00 -0.40 0.00 0.00 41.96 40.35 1ddx s TYR 2402CO -0.08 0.65 0.18 -1.54 -1.57 0.00 0.00 175.55 173.20 1ddx s SER 2403N -3.52 5.33 0.14 2.29 1.04 -1.26 0.87 113.70 118.59 1ddx s SER 2403Ca 0.30 -0.36 -0.22 0.00 0.48 0.00 0.00 55.95 56.16 1ddx s SER 2403Cb -0.03 -1.24 0.01 0.00 0.10 0.00 0.00 66.02 64.87 1ddx s SER 2403CO 0.15 -0.09 1.66 -0.26 0.98 0.00 0.00 173.24 175.67 1ddx h PHE 2404N 1.50 -0.44 -1.15 5.02 -1.00 -1.96 0.68 116.94 119.59 1ddx h PHE 2404Ca -0.47 0.03 0.32 0.00 2.81 0.00 0.00 57.97 60.66 1ddx h PHE 2404Cb 1.24 0.23 -0.06 0.00 3.61 0.00 0.00 35.95 40.97 1ddx h PHE 2404CO 0.57 -0.25 0.80 0.87 -1.61 0.00 0.00 178.31 178.69 1ddx h LYS 2405N -0.18 0.10 0.00 1.51 6.56 -1.95 -1.50 116.57 121.10 1ddx h LYS 2405Ca 0.12 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.70 1ddx h LYS 2405Cb 0.36 -0.02 0.00 0.00 -0.57 0.00 0.00 32.23 32.00 1ddx h LYS 2405CO -0.31 0.07 -0.01 1.96 -2.06 0.00 0.00 179.45 179.10 1ddx h GLN 2406N 0.10 0.00 -0.97 3.15 4.20 -0.32 -3.40 115.11 117.87 1ddx h GLN 2406Ca 0.58 0.00 0.11 0.00 0.06 0.00 0.00 58.65 59.40 1ddx h GLN 2406Cb 2.07 0.00 -0.13 0.00 0.30 0.00 0.00 27.48 29.71 1ddx h GLN 2406CO -0.10 0.00 -0.51 0.35 -0.67 0.00 0.00 178.83 177.91 1ddx h PHE 2407N -0.25 -1.56 -0.86 2.96 3.57 0.44 -3.40 116.94 117.83 1ddx h PHE 2407Ca 0.00 0.12 -0.73 0.00 3.53 0.00 0.00 57.97 60.89 1ddx h PHE 2407Cb 0.01 0.82 0.02 0.00 2.79 0.00 0.00 35.95 39.59 1ddx h PHE 2407CO -0.01 -0.39 0.35 1.28 -2.23 0.00 0.00 178.31 177.32 1ddx n LEU 2408N -5.34 0.57 -1.41 0.59 4.77 -0.60 -0.61 117.00 114.97 1ddx n LEU 2408Ca 0.05 1.02 -0.14 0.00 -0.03 0.00 0.00 56.01 56.91 1ddx n LEU 2408Cb 0.32 -0.78 -0.06 0.00 -2.33 0.00 0.00 43.42 40.57 1ddx n LEU 2408CO -0.14 -1.14 -0.13 -1.22 -1.33 0.00 0.00 177.39 173.42 1ddx n TYR 2409N 2.48 -0.37 -3.15 -1.77 0.53 -0.46 -4.87 117.16 109.56 1ddx n TYR 2409Ca 0.23 0.00 -0.37 0.00 -1.02 0.00 0.00 57.90 56.74 1ddx n TYR 2409Cb 0.00 -2.63 -0.02 0.00 -1.03 0.00 0.00 39.34 35.66 1ddx n TYR 2409CO 0.00 0.00 0.00 -1.71 -1.02 0.00 0.00 176.86 174.13 1ddx n ASN 2410N -0.57 5.44 0.10 7.72 2.85 0.22 -4.75 115.26 126.27 1ddx n ASN 2410Ca -0.14 -3.44 0.10 0.00 -0.11 0.00 0.00 54.58 51.00 1ddx n ASN 2410Cb 0.45 -1.04 0.45 0.00 1.24 0.00 0.00 39.78 40.89 1ddx n ASN 2410CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 1ddx n ASN 2411N 1.09 0.51 -0.20 1.20 5.03 -1.26 -0.95 115.26 120.68 1ddx n ASN 2411Ca 0.28 0.64 0.13 0.00 0.87 0.00 0.00 54.58 56.50 1ddx n ASN 2411Cb 0.36 -0.74 0.44 0.00 -1.02 0.00 0.00 39.78 38.82 1ddx n ASN 2411CO 0.00 0.00 0.00 -1.28 -1.83 0.00 0.00 177.26 174.15 1ddx h SER 2412N 0.00 0.51 0.23 6.41 0.87 -1.96 0.54 113.55 120.15 1ddx h SER 2412Ca 0.00 0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.58 1ddx h SER 2412Cb 0.30 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.16 1ddx h SER 2412CO 0.00 0.27 -0.30 0.40 -0.53 0.00 0.00 176.83 176.68 1ddx h ILE 2413N 0.55 0.00 -0.83 2.23 2.04 -1.43 0.29 117.51 120.36 1ddx h ILE 2413Ca 0.39 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.37 1ddx h ILE 2413Cb 0.72 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.66 1ddx h ILE 2413CO -0.14 0.00 -0.39 0.25 0.00 0.00 0.00 178.15 177.87 1ddx h LEU 2414N -0.54 -1.39 -0.72 1.44 5.85 -1.09 0.30 115.31 119.15 1ddx h LEU 2414Ca -0.03 0.28 0.06 0.00 0.84 0.00 0.00 57.88 59.03 1ddx h LEU 2414Cb 0.49 0.70 -0.06 0.00 0.37 0.00 0.00 40.66 42.16 1ddx h LEU 2414CO -0.07 -0.30 0.42 -0.07 -0.34 0.00 0.00 178.44 178.08 1ddx h LEU 2415N -0.07 0.63 0.49 2.25 3.38 -0.82 -0.65 115.31 120.51 1ddx h LEU 2415Ca 0.28 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.27 1ddx h LEU 2415Cb 0.57 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 1ddx h LEU 2415CO -0.86 0.40 -0.43 -0.08 0.09 0.00 0.00 178.44 177.56 1ddx h GLU 2416N 0.76 -0.88 0.24 1.13 4.81 0.34 -3.31 114.58 117.65 1ddx h GLU 2416Ca 0.32 0.06 -0.33 0.00 -0.13 0.00 0.00 59.36 59.28 1ddx h GLU 2416Cb 0.19 0.20 0.03 0.00 0.63 0.00 0.00 28.75 29.81 1ddx h GLU 2416CO -0.18 -0.59 -1.44 0.45 -0.73 0.00 0.00 179.01 176.51 1ddx h HIS 2417N -0.92 0.92 0.00 0.92 3.86 -1.31 -3.51 115.15 115.11 1ddx h HIS 2417Ca -0.05 -0.67 0.00 0.00 -1.16 0.00 0.00 60.37 58.49 1ddx h HIS 2417Cb 0.79 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 29.23 1ddx h HIS 2417CO -0.20 1.52 0.00 0.41 0.86 0.00 0.00 177.93 180.52 1ddx n GLY 2418N 1.68 2.50 0.14 2.45 0.00 -0.26 -4.54 105.19 107.17 1ddx n GLY 2418Ca -0.16 -1.78 -0.08 0.00 0.00 0.00 0.00 46.02 44.00 1ddx n GLY 2418CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ddx h LEU 2419N 0.00 0.28 -0.43 0.99 -0.00 -1.93 -2.42 115.31 111.81 1ddx h LEU 2419Ca 0.00 0.00 0.09 0.00 -0.00 0.00 0.00 57.88 57.97 1ddx h LEU 2419Cb 0.00 -0.06 -0.09 0.00 -0.00 0.00 0.00 40.66 40.52 1ddx h LEU 2419CO 0.00 0.21 -0.16 0.74 -0.00 0.00 0.00 178.44 179.23 1ddx h THR 2420N 0.36 0.47 0.85 0.22 2.02 -1.89 0.16 112.91 115.09 1ddx h THR 2420Ca 0.12 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.26 1ddx h THR 2420Cb 0.00 0.47 0.01 0.00 -1.74 0.00 0.00 68.15 66.89 1ddx h THR 2420CO -0.06 0.00 -0.41 1.56 0.37 0.00 0.00 175.52 176.98 1ddx h GLN 2421N -0.07 -1.10 -0.72 6.66 1.08 -1.77 -1.99 115.11 117.20 1ddx h GLN 2421Ca 0.21 0.07 0.15 0.00 -1.45 0.00 0.00 58.65 57.63 1ddx h GLN 2421Cb 0.39 0.25 -0.14 0.00 -0.05 0.00 0.00 27.48 27.93 1ddx h GLN 2421CO -0.48 -0.73 -0.15 1.19 -0.95 0.00 0.00 178.83 177.71 1ddx n PHE 2422N -5.16 0.29 0.00 2.96 3.01 -0.92 0.13 117.46 117.76 1ddx n PHE 2422Ca -0.14 0.87 0.00 0.00 1.01 0.00 0.00 57.45 59.19 1ddx n PHE 2422Cb 0.45 -0.93 0.00 0.00 -0.01 0.00 0.00 39.48 38.99 1ddx n PHE 2422CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1ddx n VAL 2423N -5.14 0.00 -0.22 -4.37 0.31 0.52 -0.55 118.33 108.87 1ddx n VAL 2423Ca 0.12 1.16 -0.06 0.00 -0.01 0.00 0.00 64.34 65.55 1ddx n VAL 2423Cb 0.39 -2.03 -0.05 0.00 -0.91 0.00 0.00 33.84 31.23 1ddx n VAL 2423CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1ddx n GLU 2424N -1.14 -0.23 -0.03 5.55 1.02 0.47 0.82 120.64 127.11 1ddx n GLU 2424Ca 0.00 1.06 -0.02 0.00 -0.02 0.00 0.00 57.16 58.19 1ddx n GLU 2424Cb 0.00 -1.57 -0.01 0.00 -0.02 0.00 0.00 31.44 29.84 1ddx n GLU 2424CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 1ddx h SER 2425N 0.00 -0.25 -0.43 1.62 0.02 -0.33 0.13 113.55 114.31 1ddx h SER 2425Ca 0.08 0.03 0.13 0.00 -0.84 0.00 0.00 61.79 61.19 1ddx h SER 2425Cb 0.21 0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.84 1ddx h SER 2425CO -0.49 -0.05 0.40 -0.26 -1.14 0.00 0.00 176.83 175.30 1ddx h PHE 2426N -0.04 0.00 0.00 3.45 0.04 0.53 0.78 116.94 121.70 1ddx h PHE 2426Ca 0.01 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.78 1ddx h PHE 2426Cb 0.07 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.22 1ddx h PHE 2426CO -0.70 0.00 0.00 2.41 -0.60 0.00 0.00 178.31 179.42 1ddx n THR 2427N -3.91 1.14 -0.01 -1.55 -1.04 0.24 -1.40 114.28 107.75 1ddx n THR 2427Ca 0.08 0.46 -0.01 0.00 -2.04 0.00 0.00 64.05 62.53 1ddx n THR 2427Cb 0.59 -1.40 -0.01 0.00 -1.82 0.00 0.00 70.33 67.70 1ddx n THR 2427CO 0.00 0.00 0.00 -2.11 -0.64 0.00 0.00 175.07 172.32 1ddx n ARG 2428N -2.00 0.04 -1.38 -2.82 1.85 0.23 -4.25 116.66 108.33 1ddx n ARG 2428Ca 0.01 0.01 -0.13 0.00 -1.00 0.00 0.00 57.85 56.74 1ddx n ARG 2428Cb 0.11 -0.80 -0.11 0.00 -1.05 0.00 0.00 32.46 30.61 1ddx n ARG 2428CO 0.00 0.00 0.00 0.94 -0.01 0.00 0.00 177.63 178.56 1ddx n GLN 2429N -2.81 0.12 -1.34 2.89 7.27 -0.97 -4.72 117.38 117.82 1ddx n GLN 2429Ca -0.03 -0.45 -0.42 0.00 0.07 0.00 0.00 57.00 56.17 1ddx n GLN 2429Cb 0.53 -2.02 -0.00 0.00 2.41 0.00 0.00 30.24 31.16 1ddx n GLN 2429CO 0.00 0.00 0.00 1.51 0.07 0.00 0.00 177.06 178.64 1ddx n ILE 2430N 6.46 1.02 -4.05 1.69 0.13 -1.26 -2.39 119.36 120.95 1ddx n ILE 2430Ca 0.40 -0.50 -0.28 0.00 -1.10 0.00 0.00 62.75 61.27 1ddx n ILE 2430Cb 0.36 -0.15 -0.06 0.00 -0.84 0.00 0.00 39.64 38.95 1ddx n ILE 2430CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1ddx s ALA 2431N -1.60 3.63 0.33 1.51 0.00 0.31 -4.76 121.76 121.17 1ddx s ALA 2431Ca 0.61 -1.10 -0.29 0.00 0.00 0.00 0.00 51.96 51.18 1ddx s ALA 2431Cb -0.63 -1.46 -0.10 0.00 0.00 0.00 0.00 23.12 20.93 1ddx s ALA 2431CO 0.61 0.62 1.32 0.20 0.00 0.00 0.00 175.76 178.52 1ddx s GLY 2432N -2.80 2.97 1.04 0.00 0.00 0.43 -0.68 107.32 108.28 1ddx s GLY 2432Ca 0.31 1.28 -0.12 0.00 0.00 0.00 0.00 44.72 46.18 1ddx s GLY 2432CO 0.24 1.94 0.88 -2.13 0.00 0.00 0.00 173.10 174.03 1ddx n ARG 2433N 0.86 -1.29 0.00 2.90 0.63 0.27 -2.90 116.66 117.13 1ddx n ARG 2433Ca 0.00 -0.33 0.00 0.00 -0.92 0.00 0.00 57.85 56.60 1ddx n ARG 2433Cb 0.42 -2.16 0.00 0.00 0.45 0.00 0.00 32.46 31.16 1ddx n ARG 2433CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 1ddx n VAL 2434N -4.46 0.00 0.08 5.15 0.31 -1.19 -4.26 118.33 113.96 1ddx n VAL 2434Ca 0.07 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.41 1ddx n VAL 2434Cb 0.54 -0.66 -0.03 0.00 -0.91 0.00 0.00 33.84 32.78 1ddx n VAL 2434CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ddx h ALA 2435N 0.00 0.65 -0.71 3.52 0.00 -1.14 -3.40 119.26 118.19 1ddx h ALA 2435Ca 0.00 -0.64 0.13 0.00 0.00 0.00 0.00 54.91 54.41 1ddx h ALA 2435Cb 0.75 0.09 -0.13 0.00 0.00 0.00 0.00 17.79 18.50 1ddx h ALA 2435CO 0.00 0.76 -0.28 0.78 0.00 0.00 0.00 179.25 180.51 1ddx h GLY 2436N 3.61 0.20 0.00 0.00 0.00 -1.71 -3.14 103.07 102.02 1ddx h GLY 2436Ca -0.08 0.36 0.00 0.00 0.00 0.00 0.00 47.33 47.61 1ddx h GLY 2436CO 0.06 -0.24 0.00 0.61 0.00 0.00 0.00 176.54 176.96 1ddx n GLY 2437N -1.47 3.95 3.79 4.60 0.00 -1.05 -4.76 105.19 110.24 1ddx n GLY 2437Ca 0.08 -1.69 -0.15 0.00 0.00 0.00 0.00 46.02 44.25 1ddx n GLY 2437CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ddx n ARG 2438N -1.61 -0.80 -1.06 1.61 1.74 0.15 -4.81 116.66 111.89 1ddx n ARG 2438Ca 0.00 -0.31 0.05 0.00 -0.77 0.00 0.00 57.85 56.82 1ddx n ARG 2438Cb 0.00 -0.24 0.11 0.00 -1.02 0.00 0.00 32.46 31.30 1ddx n ARG 2438CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1ddx n ASN 2439N -0.13 1.32 -4.52 0.55 5.15 0.27 -3.30 115.26 114.60 1ddx n ASN 2439Ca -0.04 -2.88 -0.42 0.00 -0.60 0.00 0.00 54.58 50.64 1ddx n ASN 2439Cb 0.19 -0.40 -0.09 0.00 -0.53 0.00 0.00 39.78 38.95 1ddx n ASN 2439CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1ddx s VAL 2440N -1.50 5.09 0.41 3.44 1.01 -0.20 -4.03 120.40 124.62 1ddx s VAL 2440Ca 0.35 -0.03 -0.21 0.00 0.00 0.00 0.00 61.98 62.10 1ddx s VAL 2440Cb 0.37 -3.95 -0.16 0.00 0.00 0.00 0.00 36.38 32.65 1ddx s VAL 2440CO -0.12 -0.27 0.08 -2.65 0.00 0.00 0.00 175.10 172.14 1ddx n PRO 2441N 5.59 0.01 0.12 2.72 -0.02 -1.26 -0.57 135.00 141.58 1ddx n PRO 2441Ca -0.07 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.40 1ddx n PRO 2441Cb 0.48 -1.01 0.06 0.00 -0.02 0.00 0.00 33.50 33.01 1ddx n PRO 2441CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1ddx h ILE 2442N 0.30 1.33 -0.79 4.25 5.03 -1.96 -2.91 117.51 122.75 1ddx h ILE 2442Ca -0.37 -2.54 -0.04 0.00 -0.12 0.00 0.00 64.86 61.79 1ddx h ILE 2442Cb 1.45 2.44 -0.04 0.00 -3.03 0.00 0.00 36.82 37.64 1ddx h ILE 2442CO 0.46 0.68 0.34 0.00 -0.68 0.00 0.00 178.15 178.96 1ddx h ALA 2443N 1.30 1.03 0.00 1.87 0.00 -1.99 0.19 119.26 121.66 1ddx h ALA 2443Ca -0.01 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1ddx h ALA 2443Cb 1.38 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1ddx h ALA 2443CO 0.09 0.63 0.00 0.28 0.00 0.00 0.00 179.25 180.25 1ddx n VAL 2444N -4.31 0.22 0.00 0.00 0.31 -1.12 -4.31 118.33 109.12 1ddx n VAL 2444Ca 0.07 0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.46 1ddx n VAL 2444Cb 0.17 -0.73 0.00 0.00 -0.91 0.00 0.00 33.84 32.37 1ddx n VAL 2444CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 1ddx n GLN 2445N -1.15 0.00 -0.34 5.55 7.27 0.05 -1.45 117.38 127.31 1ddx n GLN 2445Ca 0.12 0.54 -0.04 0.00 0.07 0.00 0.00 57.00 57.69 1ddx n GLN 2445Cb 0.12 -0.87 -0.01 0.00 2.41 0.00 0.00 30.24 31.89 1ddx n GLN 2445CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1ddx n ALA 2446N -1.99 -0.26 -0.35 1.69 0.00 -1.26 -2.17 120.51 116.18 1ddx n ALA 2446Ca 0.00 0.81 0.00 0.00 0.00 0.00 0.00 53.44 54.25 1ddx n ALA 2446Cb 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 19.45 19.16 1ddx n ALA 2446CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1ddx n VAL 2447N -5.19 0.00 -0.44 0.00 0.31 -0.53 -1.63 118.33 110.85 1ddx n VAL 2447Ca 0.06 1.33 0.38 0.00 -0.01 0.00 0.00 64.34 66.10 1ddx n VAL 2447Cb 0.30 -2.10 0.65 0.00 -0.91 0.00 0.00 33.84 31.78 1ddx n VAL 2447CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ddx h ALA 2448N -1.71 2.68 0.52 3.52 0.00 -1.15 0.72 119.26 123.84 1ddx h ALA 2448Ca 0.00 0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1ddx h ALA 2448Cb 0.00 0.25 0.01 0.00 0.00 0.00 0.00 17.79 18.05 1ddx h ALA 2448CO 0.00 -1.37 -0.25 -0.22 0.00 0.00 0.00 179.25 177.41 1ddx h LYS 2449N 0.03 -0.67 -0.40 0.00 3.64 -0.94 -2.76 116.57 115.48 1ddx h LYS 2449Ca 0.86 0.05 0.05 0.00 -1.27 0.00 0.00 60.65 60.33 1ddx h LYS 2449Cb 2.65 0.15 -0.08 0.00 -0.41 0.00 0.00 32.23 34.54 1ddx h LYS 2449CO -0.51 -0.39 -0.54 0.00 -2.27 0.00 0.00 179.45 175.74 1ddx h ALA 2450N -0.44 -0.77 -0.92 5.00 0.00 0.13 0.82 119.26 123.09 1ddx h ALA 2450Ca -0.07 -0.00 0.32 0.00 0.00 0.00 0.00 54.91 55.16 1ddx h ALA 2450Cb 0.59 1.12 -0.09 0.00 0.00 0.00 0.00 17.79 19.41 1ddx h ALA 2450CO 0.12 -1.03 0.59 0.43 0.00 0.00 0.00 179.25 179.36 1ddx n SER 2451N -5.26 0.14 -0.07 0.00 7.64 -0.16 0.97 113.62 116.88 1ddx n SER 2451Ca -0.03 0.93 -0.07 0.00 1.01 0.00 0.00 58.87 60.70 1ddx n SER 2451Cb 0.33 -0.45 -0.04 0.00 -1.01 0.00 0.00 64.21 63.03 1ddx n SER 2451CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1ddx h ILE 2452N 0.00 0.41 -0.83 0.44 2.04 0.79 -3.27 117.51 117.09 1ddx h ILE 2452Ca 0.59 -1.38 0.12 0.00 1.00 0.00 0.00 64.86 65.19 1ddx h ILE 2452Cb 1.89 0.85 -0.13 0.00 -0.74 0.00 0.00 36.82 38.69 1ddx h ILE 2452CO -0.31 0.14 -0.42 0.44 0.00 0.00 0.00 178.15 178.00 1ddx h ASP 2453N -1.00 -1.51 0.00 1.72 3.45 0.36 -2.61 116.42 116.82 1ddx h ASP 2453Ca -0.05 0.29 0.00 0.00 0.43 0.00 0.00 57.03 57.70 1ddx h ASP 2453Cb 0.50 0.74 0.00 0.00 -0.56 0.00 0.00 39.33 40.01 1ddx h ASP 2453CO -0.03 -0.29 0.00 0.00 -1.57 0.00 0.00 179.24 177.35 1ddx n GLN 2454N -5.42 0.00 -0.47 3.56 6.02 0.18 -1.29 117.38 119.96 1ddx n GLN 2454Ca 0.06 0.65 0.38 0.00 -0.01 0.00 0.00 57.00 58.08 1ddx n GLN 2454Cb 0.36 -1.31 0.63 0.00 1.02 0.00 0.00 30.24 30.94 1ddx n GLN 2454CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1ddx n SER 2455N -1.98 0.15 0.04 1.08 3.41 -1.11 0.25 113.62 115.46 1ddx n SER 2455Ca 0.00 1.15 -0.13 0.00 -0.26 0.00 0.00 58.87 59.64 1ddx n SER 2455Cb 0.00 -0.57 -0.09 0.00 -0.26 0.00 0.00 64.21 63.30 1ddx n SER 2455CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1ddx h ARG 2456N 0.00 -0.10 -0.02 4.33 3.08 -0.81 0.38 114.38 121.24 1ddx h ARG 2456Ca 0.79 0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.88 1ddx h ARG 2456Cb 2.71 0.02 -0.04 0.00 0.08 0.00 0.00 29.97 32.73 1ddx h ARG 2456CO -0.33 0.20 -0.22 0.93 -1.07 0.00 0.00 179.97 179.48 1ddx h GLU 2457N -0.39 -0.32 -1.16 0.04 5.08 0.42 0.28 114.58 118.54 1ddx h GLU 2457Ca -0.01 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1ddx h GLU 2457Cb 0.34 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1ddx h GLU 2457CO 0.02 -0.22 0.00 -1.33 -1.00 0.00 0.00 179.01 176.48 1ddx n MET 2458N -5.35 0.36 -3.10 2.33 2.81 0.00 -4.75 117.12 109.43 1ddx n MET 2458Ca -0.05 0.00 -0.17 0.00 -1.81 0.00 0.00 57.70 55.67 1ddx n MET 2458Cb 0.26 -1.27 -0.04 0.00 -0.71 0.00 0.00 33.22 31.46 1ddx n MET 2458CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1ddx n LYS 2459N 0.63 -0.91 -0.78 0.03 4.76 1.00 -4.75 118.16 118.14 1ddx n LYS 2459Ca 0.00 0.05 -0.33 0.00 -2.87 0.00 0.00 58.31 55.16 1ddx n LYS 2459Cb 0.15 -1.94 0.13 0.00 -1.84 0.00 0.00 35.03 31.52 1ddx n LYS 2459CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1ddx n TYR 2460N -2.37 -1.77 -2.69 2.13 4.02 0.13 -2.87 117.16 113.75 1ddx n TYR 2460Ca -0.04 0.20 -0.19 0.00 -0.01 0.00 0.00 57.90 57.86 1ddx n TYR 2460Cb 0.26 -1.66 0.09 0.00 -0.02 0.00 0.00 39.34 38.01 1ddx n TYR 2460CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 1ddx n GLN 2461N -1.27 0.16 -2.04 -0.72 6.02 -1.26 -4.79 117.38 113.47 1ddx n GLN 2461Ca 0.03 -2.46 -0.34 0.00 -0.01 0.00 0.00 57.00 54.22 1ddx n GLN 2461Cb 0.58 -0.48 0.02 0.00 1.02 0.00 0.00 30.24 31.38 1ddx n GLN 2461CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1ddx s SER 2462N -4.44 5.41 0.42 1.08 0.15 -1.26 -4.52 113.70 110.55 1ddx s SER 2462Ca 0.57 2.15 0.15 0.00 0.70 0.00 0.00 55.95 59.51 1ddx s SER 2462Cb -0.04 -2.57 0.93 0.00 -1.71 0.00 0.00 66.02 62.63 1ddx s SER 2462CO 0.37 -1.43 1.93 0.25 1.20 0.00 0.00 173.24 175.56 1ddx h LEU 2463N 0.74 0.00 -0.74 3.45 5.85 -1.33 -0.74 115.31 122.54 1ddx h LEU 2463Ca -0.49 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.10 1ddx h LEU 2463Cb 1.26 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.28 1ddx h LEU 2463CO 0.56 0.25 -0.61 0.78 -0.34 0.00 0.00 178.44 179.08 1ddx h ASN 2464N 0.00 0.07 0.65 1.25 -0.26 -1.78 0.24 115.58 115.74 1ddx h ASN 2464Ca -0.00 -0.04 -0.03 0.00 -0.56 0.00 0.00 56.30 55.67 1ddx h ASN 2464Cb 0.46 -0.02 0.01 0.00 -1.06 0.00 0.00 38.32 37.71 1ddx h ASN 2464CO 0.03 0.66 -0.31 -0.33 -1.06 0.00 0.00 177.43 176.42 1ddx h GLU 2465N 0.04 -0.85 0.00 0.81 4.39 -1.54 0.40 114.58 117.84 1ddx h GLU 2465Ca -0.01 0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.75 1ddx h GLU 2465Cb 1.09 0.19 0.00 0.00 -0.10 0.00 0.00 28.75 29.93 1ddx h GLU 2465CO 0.08 -0.53 0.00 1.88 -1.16 0.00 0.00 179.01 179.28 1ddx h TYR 2466N -1.16 0.00 0.05 4.33 0.05 -1.20 0.51 116.97 119.55 1ddx h TYR 2466Ca -0.09 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.69 1ddx h TYR 2466Cb 0.70 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.44 1ddx h TYR 2466CO 0.00 0.00 -0.02 0.00 -1.05 0.00 0.00 178.16 177.09 1ddx h ARG 2467N 0.00 -0.06 -0.52 4.88 3.08 -0.56 -3.15 114.38 118.05 1ddx h ARG 2467Ca 0.00 0.00 0.10 0.00 0.07 0.00 0.00 59.98 60.16 1ddx h ARG 2467Cb 0.00 0.01 -0.09 0.00 0.08 0.00 0.00 29.97 29.98 1ddx h ARG 2467CO 0.00 0.33 -0.04 0.87 -1.07 0.00 0.00 179.97 180.06 1ddx h LYS 2468N -0.99 0.07 -0.78 0.04 1.57 0.87 0.07 116.57 117.43 1ddx h LYS 2468Ca -0.01 -0.00 0.09 0.00 -1.87 0.00 0.00 60.65 58.86 1ddx h LYS 2468Cb 0.42 -0.02 -0.12 0.00 0.08 0.00 0.00 32.23 32.60 1ddx h LYS 2468CO 0.01 0.05 -0.50 -0.09 -0.57 0.00 0.00 179.45 178.35 1ddx h ARG 2469N 0.08 -0.13 -1.67 3.15 9.65 -0.12 0.48 114.38 125.82 1ddx h ARG 2469Ca 0.26 0.01 -0.20 0.00 -1.10 0.00 0.00 59.98 58.94 1ddx h ARG 2469Cb 0.40 0.03 -0.09 0.00 -1.39 0.00 0.00 29.97 28.92 1ddx h ARG 2469CO -0.47 -0.09 0.26 1.19 2.80 0.00 0.00 179.97 183.67 1ddx n PHE 2470N -5.36 0.97 -4.04 2.20 0.99 -0.64 -4.80 117.46 106.78 1ddx n PHE 2470Ca 0.03 -1.59 -0.28 0.00 -0.00 0.00 0.00 57.45 55.61 1ddx n PHE 2470Cb 0.33 -0.78 -0.04 0.00 -1.00 0.00 0.00 39.48 37.99 1ddx n PHE 2470CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.76 175.63 1ddx n SER 2471N 0.74 -0.35 -4.36 4.37 3.41 0.17 -4.97 113.62 112.63 1ddx n SER 2471Ca 0.19 -1.09 -0.33 0.00 -0.26 0.00 0.00 58.87 57.38 1ddx n SER 2471Cb 0.56 -2.64 -0.15 0.00 -0.26 0.00 0.00 64.21 61.73 1ddx n SER 2471CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1ddx s LEU 2472N -7.07 2.57 0.21 1.04 1.43 -0.08 -4.99 118.68 111.78 1ddx s LEU 2472Ca 0.04 -0.36 -0.31 0.00 -1.03 0.00 0.00 54.13 52.47 1ddx s LEU 2472Cb -0.02 -1.55 -0.11 0.00 0.03 0.00 0.00 46.19 44.54 1ddx s LEU 2472CO 0.92 0.20 1.62 -0.54 0.23 0.00 0.00 176.35 178.78 1ddx s LYS 2473N 0.13 4.17 0.69 1.70 -0.14 -1.26 -3.14 119.74 121.89 1ddx s LYS 2473Ca -0.08 2.48 -0.14 0.00 -1.36 0.00 0.00 55.97 56.87 1ddx s LYS 2473Cb -0.15 -3.10 0.02 0.00 -1.68 0.00 0.00 37.83 32.92 1ddx s LYS 2473CO 0.05 -0.65 1.11 -1.25 -0.76 0.00 0.00 175.35 173.86 1ddx s PRO 2474N 0.75 2.60 -0.15 -1.68 0.04 -1.26 -4.89 135.00 130.40 1ddx s PRO 2474Ca 0.70 1.37 -0.29 0.00 0.04 0.00 0.00 61.00 62.81 1ddx s PRO 2474Cb -0.46 -1.93 -0.01 0.00 0.04 0.00 0.00 34.50 32.14 1ddx s PRO 2474CO 0.35 -1.40 1.17 0.71 0.04 0.00 0.00 177.00 177.87 1ddx s TYR 2475N -2.45 3.11 -0.76 0.56 4.12 -1.26 -4.91 117.35 115.75 1ddx s TYR 2475Ca 0.66 1.22 0.26 0.00 0.02 0.00 0.00 57.07 59.24 1ddx s TYR 2475Cb -0.20 -3.40 0.88 0.00 -1.52 0.00 0.00 41.96 37.72 1ddx s TYR 2475CO 0.45 -1.17 1.80 0.25 0.02 0.00 0.00 175.55 176.90 1ddx n THR 2476N 5.13 0.52 -3.57 -0.71 -2.24 -1.26 -4.67 114.28 107.48 1ddx n THR 2476Ca 0.12 -0.22 -0.16 0.00 -2.27 0.00 0.00 64.05 61.52 1ddx n THR 2476Cb 0.46 -0.60 -0.07 0.00 -2.10 0.00 0.00 70.33 68.02 1ddx n THR 2476CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1ddx s SER 2477N -4.28 -0.65 0.49 3.42 1.04 -1.26 -4.88 113.70 107.58 1ddx s SER 2477Ca 0.11 0.90 0.16 0.00 0.48 0.00 0.00 55.95 57.60 1ddx s SER 2477Cb 0.13 0.81 1.20 0.00 0.10 0.00 0.00 66.02 68.26 1ddx s SER 2477CO 0.58 -0.48 2.07 -0.26 0.98 0.00 0.00 173.24 176.13 1ddx h PHE 2478N 3.73 0.15 -0.13 5.02 -1.00 -1.90 0.14 116.94 122.95 1ddx h PHE 2478Ca -0.28 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.47 1ddx h PHE 2478Cb 1.15 -0.05 -0.01 0.00 3.61 0.00 0.00 35.95 40.65 1ddx h PHE 2478CO 0.39 0.08 -0.10 1.49 -1.61 0.00 0.00 178.31 178.57 1ddx h GLU 2479N 0.15 0.20 -0.16 1.51 4.81 -1.88 -1.41 114.58 117.81 1ddx h GLU 2479Ca 0.13 -0.04 -0.13 0.00 -0.13 0.00 0.00 59.36 59.20 1ddx h GLU 2479Cb 0.33 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.68 1ddx h GLU 2479CO -0.02 0.31 -0.39 1.49 -0.73 0.00 0.00 179.01 179.67 1ddx h GLU 2480N 0.19 0.55 0.00 1.92 4.81 -1.06 1.70 114.58 122.69 1ddx h GLU 2480Ca 0.04 -0.38 -0.02 0.00 -0.13 0.00 0.00 59.36 58.87 1ddx h GLU 2480Cb 0.30 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.73 1ddx h GLU 2480CO 0.02 0.99 -0.10 1.25 -0.73 0.00 0.00 179.01 180.44 1ddx h LEU 2481N 0.19 0.00 0.00 1.64 5.85 -0.90 -3.28 115.31 118.81 1ddx h LEU 2481Ca -0.00 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.54 1ddx h LEU 2481Cb 1.00 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.00 1ddx h LEU 2481CO 0.09 0.10 -1.65 0.35 -0.34 0.00 0.00 178.44 176.98 1ddx n THR 2482N -4.32 0.65 0.00 1.05 -2.24 -0.59 0.14 114.28 108.97 1ddx n THR 2482Ca -0.03 -0.40 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 1ddx n THR 2482Cb 0.18 -0.75 0.00 0.00 -2.10 0.00 0.00 70.33 67.66 1ddx n THR 2482CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ddx n GLY 2483N 2.42 2.04 3.70 3.38 0.00 0.58 -4.39 105.19 112.92 1ddx n GLY 2483Ca -0.16 -0.29 -0.32 0.00 0.00 0.00 0.00 46.02 45.26 1ddx n GLY 2483CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1ddx s GLU 2484N 0.00 1.54 -0.01 1.61 4.04 -1.26 -4.84 118.70 119.78 1ddx s GLU 2484Ca 0.00 1.54 0.20 0.00 0.04 0.00 0.00 54.97 56.75 1ddx s GLU 2484Cb 0.00 -1.79 -0.23 0.00 0.02 0.00 0.00 34.13 32.13 1ddx s GLU 2484CO 0.00 -2.24 0.55 1.63 -1.84 0.00 0.00 175.26 173.36 1ddx n LYS 2485N -3.70 0.65 0.00 -4.83 5.02 -1.26 -4.33 118.16 109.70 1ddx n LYS 2485Ca 0.12 -0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 1ddx n LYS 2485Cb 0.52 -1.62 0.00 0.00 -0.02 0.00 0.00 35.03 33.91 1ddx n LYS 2485CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1ddx n GLU 2486N -2.53 0.00 -0.33 1.97 0.00 -1.26 -1.32 120.64 117.17 1ddx n GLU 2486Ca -0.10 0.02 -0.00 0.00 0.00 0.00 0.00 57.16 57.07 1ddx n GLU 2486Cb 0.73 -0.54 0.06 0.00 0.00 0.00 0.00 31.44 31.69 1ddx n GLU 2486CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.13 177.65 1ddx h MET 2487N 0.00 -0.03 -0.32 5.31 2.86 -1.92 -0.14 114.93 120.68 1ddx h MET 2487Ca 0.00 0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.67 1ddx h MET 2487Cb 0.00 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 31.63 1ddx h MET 2487CO 0.00 -0.02 -0.19 0.00 1.06 0.00 0.00 176.91 177.76 1ddx n ALA 2488N -3.42 -0.21 -0.23 6.32 0.00 -1.23 0.14 120.51 121.87 1ddx n ALA 2488Ca 0.10 0.28 0.03 0.00 0.00 0.00 0.00 53.44 53.85 1ddx n ALA 2488Cb 0.41 0.29 0.15 0.00 0.00 0.00 0.00 19.45 20.30 1ddx n ALA 2488CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ddx h ALA 2489N -0.51 0.89 -0.95 0.00 0.00 0.16 0.38 119.26 119.24 1ddx h ALA 2489Ca 0.05 0.13 0.09 0.00 0.00 0.00 0.00 54.91 55.18 1ddx h ALA 2489Cb 0.13 0.15 -0.07 0.00 0.00 0.00 0.00 17.79 18.01 1ddx h ALA 2489CO -0.30 -0.27 0.61 1.49 0.00 0.00 0.00 179.25 180.77 1ddx h GLU 2490N 0.33 0.99 0.03 0.00 4.57 0.17 -1.82 114.58 118.85 1ddx h GLU 2490Ca 0.37 -0.06 -0.00 0.00 -1.18 0.00 0.00 59.36 58.49 1ddx h GLU 2490Cb 0.57 -0.22 0.00 0.00 -0.16 0.00 0.00 28.75 28.94 1ddx h GLU 2490CO -0.42 0.65 -0.01 -0.07 -1.18 0.00 0.00 179.01 177.98 1ddx h LEU 2491N 1.02 -0.03 -1.70 1.64 3.38 0.40 -3.09 115.31 116.92 1ddx h LEU 2491Ca 0.43 -0.65 0.23 0.00 0.09 0.00 0.00 57.88 57.99 1ddx h LEU 2491Cb 0.32 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 1ddx h LEU 2491CO -0.19 0.66 0.79 0.50 0.09 0.00 0.00 178.44 180.29 1ddx h LYS 2492N -0.76 0.00 0.35 1.13 1.63 -0.06 1.79 116.57 120.65 1ddx h LYS 2492Ca -0.00 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.78 1ddx h LYS 2492Cb 0.68 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.31 1ddx h LYS 2492CO 0.01 0.00 -0.17 0.00 -3.45 0.00 0.00 179.45 175.84 1ddx h ALA 2493N 1.17 -0.47 -0.22 5.00 0.00 -1.26 -2.09 119.26 121.39 1ddx h ALA 2493Ca 0.38 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 55.05 1ddx h ALA 2493Cb 1.96 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 19.93 1ddx h ALA 2493CO -0.00 -0.66 -0.17 -0.07 0.00 0.00 0.00 179.25 178.34 1ddx h LEU 2494N -0.68 0.54 0.00 0.00 3.38 0.26 -3.37 115.31 115.43 1ddx h LEU 2494Ca -0.05 -0.45 -0.24 0.00 0.09 0.00 0.00 57.88 57.23 1ddx h LEU 2494Cb 0.48 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.03 1ddx h LEU 2494CO 0.08 0.88 -2.09 -1.22 0.09 0.00 0.00 178.44 176.18 1ddx n TYR 2495N -4.45 0.23 0.00 1.13 4.02 0.41 -4.48 117.16 114.03 1ddx n TYR 2495Ca -0.05 0.08 0.00 0.00 -0.01 0.00 0.00 57.90 57.92 1ddx n TYR 2495Cb 0.39 -0.91 0.00 0.00 -0.02 0.00 0.00 39.34 38.80 1ddx n TYR 2495CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 1ddx n SER 2496N -2.68 0.00 -4.66 7.72 7.64 -0.78 -4.77 113.62 116.10 1ddx n SER 2496Ca -0.21 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.24 1ddx n SER 2496Cb 0.96 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 64.14 1ddx n SER 2496CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1ddx s ASP 2497N -4.00 7.06 0.28 6.43 3.68 -1.26 -4.89 116.67 123.96 1ddx s ASP 2497Ca 0.00 1.31 -0.00 0.00 2.13 0.00 0.00 52.55 55.99 1ddx s ASP 2497Cb 0.00 -2.53 0.63 0.00 -1.45 0.00 0.00 42.92 39.58 1ddx s ASP 2497CO 0.00 -0.67 1.65 -0.29 0.13 0.00 0.00 175.17 176.00 1ddx h ILE 2498N 5.47 0.35 -0.21 4.11 6.09 -1.90 -0.36 117.51 131.05 1ddx h ILE 2498Ca -0.20 -0.07 0.03 0.00 -1.37 0.00 0.00 64.86 63.25 1ddx h ILE 2498Cb 1.06 0.12 -0.06 0.00 0.47 0.00 0.00 36.82 38.42 1ddx h ILE 2498CO 0.97 0.04 -0.41 0.44 -3.07 0.00 0.00 178.15 176.12 1ddx h ASP 2499N 0.21 -1.35 0.00 2.19 3.32 -1.91 0.18 116.42 119.06 1ddx h ASP 2499Ca 0.51 0.17 0.00 0.00 0.02 0.00 0.00 57.03 57.73 1ddx h ASP 2499Cb 0.99 0.54 0.00 0.00 0.22 0.00 0.00 39.33 41.08 1ddx h ASP 2499CO -0.63 -0.33 0.00 0.52 -1.72 0.00 0.00 179.24 177.08 1ddx n VAL 2500N -4.70 0.00 -2.36 -1.35 0.31 -0.15 -4.23 118.33 105.85 1ddx n VAL 2500Ca -0.04 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.87 1ddx n VAL 2500Cb 0.27 -0.61 -0.03 0.00 -0.91 0.00 0.00 33.84 32.56 1ddx n VAL 2500CO 0.00 0.00 0.00 -0.32 -1.32 0.00 0.00 176.83 175.19 1ddx s MET 2501N -1.27 4.40 0.38 5.55 0.00 0.65 -4.93 119.30 124.08 1ddx s MET 2501Ca 0.00 1.84 -0.25 0.00 0.00 0.00 0.00 55.69 57.28 1ddx s MET 2501Cb 0.00 -3.34 -0.09 0.00 0.00 0.00 0.00 34.83 31.40 1ddx s MET 2501CO 0.00 -0.31 1.08 -1.21 0.00 0.00 0.00 175.02 174.58 1ddx s GLU 2502N 1.13 4.20 0.00 4.11 2.02 -1.26 -1.21 118.70 127.69 1ddx s GLU 2502Ca 0.60 1.62 0.00 0.00 0.02 0.00 0.00 54.97 57.21 1ddx s GLU 2502Cb -0.31 -2.66 0.00 0.00 0.10 0.00 0.00 34.13 31.26 1ddx s GLU 2502CO 0.29 -0.13 0.78 -0.11 0.02 0.00 0.00 175.26 176.11 1ddx n LEU 2503N 0.14 0.07 -0.29 1.80 7.94 -1.26 -1.83 117.00 123.56 1ddx n LEU 2503Ca 0.04 0.81 -0.03 0.00 -1.11 0.00 0.00 56.01 55.72 1ddx n LEU 2503Cb 0.48 -0.35 -0.01 0.00 0.53 0.00 0.00 43.42 44.08 1ddx n LEU 2503CO 0.47 -0.35 0.40 0.00 -1.11 0.00 0.00 177.39 176.81 1ddx n TYR 2504N -1.55 -0.10 0.11 1.96 9.36 -1.26 -0.40 117.16 125.28 1ddx n TYR 2504Ca 0.00 0.91 -0.06 0.00 3.32 0.00 0.00 57.90 62.07 1ddx n TYR 2504Cb 0.00 -0.70 -0.03 0.00 -0.63 0.00 0.00 39.34 37.98 1ddx n TYR 2504CO 0.00 0.00 0.00 -1.35 0.22 0.00 0.00 176.86 175.73 1ddx h PRO 2505N 0.00 -0.33 -1.76 2.98 0.11 -1.96 -1.70 132.00 129.34 1ddx h PRO 2505Ca 0.21 0.02 0.51 0.00 0.11 0.00 0.00 66.00 66.85 1ddx h PRO 2505Cb 0.39 0.08 -0.07 0.00 0.11 0.00 0.00 31.00 31.51 1ddx h PRO 2505CO -0.72 -0.22 1.36 0.00 -0.21 0.00 0.00 178.00 178.22 1ddx n ALA 2506N -2.40 1.69 -0.03 -0.75 0.00 0.12 -0.09 120.51 119.05 1ddx n ALA 2506Ca -0.04 0.58 -0.13 0.00 0.00 0.00 0.00 53.44 53.84 1ddx n ALA 2506Cb 0.15 -1.01 -0.09 0.00 0.00 0.00 0.00 19.45 18.50 1ddx n ALA 2506CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1ddx h LEU 2507N 0.00 0.16 -0.90 0.00 3.38 0.23 0.76 115.31 118.94 1ddx h LEU 2507Ca 0.83 -0.56 -0.10 0.00 0.09 0.00 0.00 57.88 58.14 1ddx h LEU 2507Cb 3.55 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 44.24 1ddx h LEU 2507CO -0.01 0.69 -0.48 -0.07 0.09 0.00 0.00 178.44 178.66 1ddx h LEU 2508N -0.36 0.00 0.00 1.67 3.38 -0.29 -2.97 115.31 116.74 1ddx h LEU 2508Ca 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 1ddx h LEU 2508Cb 0.66 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 1ddx h LEU 2508CO 0.02 0.48 -1.30 0.52 0.09 0.00 0.00 178.44 178.25 1ddx n VAL 2509N -3.71 0.66 -0.76 1.22 0.31 -0.73 -2.52 118.33 112.80 1ddx n VAL 2509Ca -0.01 -0.58 -0.28 0.00 -0.01 0.00 0.00 64.34 63.46 1ddx n VAL 2509Cb 0.54 -0.37 0.03 0.00 -0.91 0.00 0.00 33.84 33.13 1ddx n VAL 2509CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1ddx n GLU 2510N -2.66 0.00 -3.03 5.55 2.13 0.26 -4.48 120.64 118.42 1ddx n GLU 2510Ca -0.04 0.00 -0.44 0.00 0.66 0.00 0.00 57.16 57.34 1ddx n GLU 2510Cb 0.63 -0.76 -0.03 0.00 0.27 0.00 0.00 31.44 31.55 1ddx n GLU 2510CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 1ddx s LYS 2511N -1.53 3.38 0.62 5.31 2.20 0.37 -4.09 119.74 126.01 1ddx s LYS 2511Ca 0.30 -1.63 -0.12 0.00 -0.36 0.00 0.00 55.97 54.17 1ddx s LYS 2511Cb -0.11 -4.57 -0.10 0.00 -1.51 0.00 0.00 37.83 31.54 1ddx s LYS 2511CO 0.62 -1.64 -0.47 -2.30 -0.36 0.00 0.00 175.35 171.19 1ddx n PRO 2512N 6.24 0.00 -2.82 4.03 -0.02 -1.26 -4.67 135.00 136.50 1ddx n PRO 2512Ca 0.10 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.28 1ddx n PRO 2512Cb 0.46 -0.67 -0.02 0.00 -0.02 0.00 0.00 33.50 33.25 1ddx n PRO 2512CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1ddx s ARG 2513N -1.24 3.71 -0.37 -0.52 3.00 -1.04 -4.84 118.95 117.66 1ddx s ARG 2513Ca 0.29 0.38 -0.03 0.00 0.00 0.00 0.00 55.73 56.37 1ddx s ARG 2513Cb -0.15 -2.40 -0.13 0.00 0.00 0.00 0.00 34.95 32.27 1ddx s ARG 2513CO 0.54 -0.07 1.27 -2.30 0.00 0.00 0.00 175.30 174.75 1ddx n PRO 2514N -1.52 0.00 -0.94 3.54 -0.02 -1.26 0.17 135.00 134.98 1ddx n PRO 2514Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.50 1ddx n PRO 2514Cb 0.54 -0.85 0.00 0.00 -0.02 0.00 0.00 33.50 33.17 1ddx n PRO 2514CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1ddx n ASP 2515N 4.20 -1.26 -4.52 2.55 8.00 -1.26 -5.03 116.55 119.22 1ddx n ASP 2515Ca 0.25 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.46 1ddx n ASP 2515Cb 0.29 -0.21 0.15 0.00 -0.02 0.00 0.00 41.12 41.33 1ddx n ASP 2515CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ddx s ALA 2516N -3.03 1.92 -0.03 2.24 0.00 0.44 -3.52 121.76 119.79 1ddx s ALA 2516Ca 0.00 -0.77 0.21 0.00 0.00 0.00 0.00 51.96 51.39 1ddx s ALA 2516Cb 0.00 -2.93 -0.32 0.00 0.00 0.00 0.00 23.12 19.87 1ddx s ALA 2516CO 0.00 -2.36 0.45 1.51 0.00 0.00 0.00 175.76 175.35 1ddx n ILE 2517N -3.80 0.01 -4.48 0.00 3.06 -1.26 -4.49 119.36 108.40 1ddx n ILE 2517Ca 0.10 -0.47 -0.24 0.00 -2.50 0.00 0.00 62.75 59.64 1ddx n ILE 2517Cb 0.60 0.03 -0.10 0.00 0.54 0.00 0.00 39.64 40.70 1ddx n ILE 2517CO 0.00 0.00 0.00 -0.36 -2.50 0.00 0.00 176.55 173.69 1ddx s PHE 2518N -3.42 2.25 0.00 9.51 0.08 -1.26 -0.83 117.98 124.31 1ddx s PHE 2518Ca -0.08 -0.41 0.00 0.00 0.12 0.00 0.00 56.93 56.56 1ddx s PHE 2518Cb 0.13 -1.08 0.00 0.00 -0.57 0.00 0.00 43.02 41.51 1ddx s PHE 2518CO 0.85 0.63 0.00 0.41 -0.10 0.00 0.00 175.22 177.02 1ddx n GLY 2519N -0.64 0.18 0.07 4.36 0.00 -1.26 -2.48 105.19 105.41 1ddx n GLY 2519Ca -0.05 -1.81 -0.13 0.00 0.00 0.00 0.00 46.02 44.03 1ddx n GLY 2519CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1ddx h GLU 2520N 0.00 -0.00 -0.39 1.61 4.81 -1.93 -3.27 114.58 115.41 1ddx h GLU 2520Ca 0.00 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.27 1ddx h GLU 2520Cb 0.00 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.33 1ddx h GLU 2520CO 0.00 0.88 -0.30 1.15 -0.73 0.00 0.00 179.01 180.02 1ddx h THR 2521N -0.99 0.00 -0.99 0.32 2.02 -1.97 0.20 112.91 111.50 1ddx h THR 2521Ca -0.00 0.00 0.17 0.00 0.77 0.00 0.00 66.41 67.35 1ddx h THR 2521Cb 0.89 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 67.20 1ddx h THR 2521CO 0.00 0.00 0.62 -0.03 0.37 0.00 0.00 175.52 176.48 1ddx h MET 2522N -0.08 0.76 0.34 6.66 1.85 -1.91 -2.31 114.93 120.24 1ddx h MET 2522Ca 0.06 -0.05 -0.02 0.00 -0.61 0.00 0.00 59.70 59.09 1ddx h MET 2522Cb 0.25 -0.17 0.00 0.00 0.43 0.00 0.00 31.60 32.11 1ddx h MET 2522CO -0.41 0.51 -0.16 0.28 -0.40 0.00 0.00 176.91 176.72 1ddx h VAL 2523N 0.79 0.62 0.00 -5.77 2.07 -1.06 -2.55 116.25 110.35 1ddx h VAL 2523Ca 0.54 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 67.47 1ddx h VAL 2523Cb 0.81 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 31.47 1ddx h VAL 2523CO -0.32 0.10 0.00 -0.62 0.02 0.00 0.00 177.57 176.76 1ddx n GLU 2524N -5.15 0.07 -0.11 1.57 -0.58 0.49 -0.95 120.64 115.98 1ddx n GLU 2524Ca -0.10 0.14 -0.24 0.00 -0.42 0.00 0.00 57.16 56.54 1ddx n GLU 2524Cb 0.27 -1.50 -0.08 0.00 -0.57 0.00 0.00 31.44 29.56 1ddx n GLU 2524CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1ddx n LEU 2525N -1.16 1.58 0.26 -4.62 4.77 -0.94 -4.52 117.00 112.37 1ddx n LEU 2525Ca 0.02 0.27 0.15 0.00 -0.03 0.00 0.00 56.01 56.42 1ddx n LEU 2525Cb 0.02 -0.66 0.54 0.00 -2.33 0.00 0.00 43.42 41.00 1ddx n LEU 2525CO 0.02 0.47 0.92 1.23 -1.33 0.00 0.00 177.39 178.70 1ddx h GLY 2526N -0.79 0.00 1.01 -0.72 0.00 -1.23 -2.94 103.07 98.40 1ddx h GLY 2526Ca -0.57 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 46.74 1ddx h GLY 2526CO -0.34 0.00 -0.24 0.00 0.00 0.00 0.00 176.54 175.95 1ddx h ALA 2527N 1.96 -0.68 0.18 3.60 0.00 -1.28 0.13 119.26 123.18 1ddx h ALA 2527Ca -0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1ddx h ALA 2527Cb 0.65 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1ddx h ALA 2527CO 0.01 -0.88 -0.09 -1.35 0.00 0.00 0.00 179.25 176.94 1ddx h PRO 2528N -0.68 -0.23 -0.54 0.00 0.11 -1.79 -2.10 132.00 126.77 1ddx h PRO 2528Ca -0.07 0.02 0.14 0.00 0.11 0.00 0.00 66.00 66.19 1ddx h PRO 2528Cb 0.52 0.05 -0.10 0.00 0.11 0.00 0.00 31.00 31.58 1ddx h PRO 2528CO 0.11 -0.16 -0.03 1.19 -0.21 0.00 0.00 178.00 178.91 1ddx n PHE 2529N -2.86 0.31 0.07 0.65 0.99 -1.11 -1.49 117.46 114.02 1ddx n PHE 2529Ca -0.03 0.65 -0.03 0.00 -0.00 0.00 0.00 57.45 58.04 1ddx n PHE 2529Cb 0.10 -0.88 -0.01 0.00 -1.00 0.00 0.00 39.48 37.68 1ddx n PHE 2529CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 1ddx h SER 2530N 0.00 -0.17 0.00 4.37 0.87 -0.70 -3.23 113.55 114.69 1ddx h SER 2530Ca 0.31 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.88 1ddx h SER 2530Cb 0.60 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.61 1ddx h SER 2530CO -0.52 -0.06 0.06 0.18 -0.53 0.00 0.00 176.83 175.96 1ddx n LEU 2531N -2.88 0.00 0.00 2.23 4.32 -0.56 -1.18 117.00 118.93 1ddx n LEU 2531Ca -0.03 0.11 0.00 0.00 -0.02 0.00 0.00 56.01 56.07 1ddx n LEU 2531Cb 0.08 -0.11 0.00 0.00 -1.62 0.00 0.00 43.42 41.77 1ddx n LEU 2531CO 0.06 -0.11 0.00 1.17 -1.22 0.00 0.00 177.39 177.29 1ddx n LYS 2532N -0.98 0.00 0.13 3.23 0.00 -0.93 -2.12 118.16 117.48 1ddx n LYS 2532Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 1ddx n LYS 2532Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.09 1ddx n LYS 2532CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1ddx n GLY 2533N 3.10 -0.19 0.07 3.14 0.00 -1.03 0.13 105.19 110.41 1ddx n GLY 2533Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 1ddx n GLY 2533CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1ddx h LEU 2534N 0.00 0.00 0.01 0.99 7.12 -1.28 -3.37 115.31 118.78 1ddx h LEU 2534Ca 0.00 -0.32 -0.00 0.00 0.13 0.00 0.00 57.88 57.69 1ddx h LEU 2534Cb 1.38 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.51 1ddx h LEU 2534CO 0.00 0.85 -0.01 0.24 -0.13 0.00 0.00 178.44 179.39 1ddx h MET 2535N -1.00 -0.01 0.00 1.25 2.86 0.17 -3.32 114.93 114.88 1ddx h MET 2535Ca -0.06 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1ddx h MET 2535Cb 0.58 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.24 1ddx h MET 2535CO -0.04 0.78 0.03 0.41 1.06 0.00 0.00 176.91 179.15 1ddx n GLY 2536N 1.42 -0.03 3.77 8.32 0.00 0.34 -4.44 105.19 114.56 1ddx n GLY 2536Ca -0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.55 1ddx n GLY 2536CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ddx s ASN 2537N -1.65 6.62 0.02 1.61 3.84 -1.25 -1.88 114.94 122.25 1ddx s ASN 2537Ca 0.00 2.38 -0.03 0.00 0.21 0.00 0.00 52.86 55.42 1ddx s ASN 2537Cb 0.00 -2.62 -0.01 0.00 -0.55 0.00 0.00 41.25 38.07 1ddx s ASN 2537CO 0.00 -0.61 1.06 1.55 -2.79 0.00 0.00 177.10 176.31 1ddx h PRO 2538N 2.84 -0.01 0.00 0.43 0.13 -1.83 -0.75 132.00 132.82 1ddx h PRO 2538Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1ddx h PRO 2538Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1ddx h PRO 2538CO 0.63 -0.01 0.52 0.44 -0.23 0.00 0.00 178.00 179.36 1ddx n ILE 2539N -3.19 0.20 1.14 -3.56 -6.64 -1.26 0.17 119.36 106.22 1ddx n ILE 2539Ca 0.00 0.59 0.12 0.00 -1.77 0.00 0.00 62.75 61.70 1ddx n ILE 2539Cb 0.03 -1.59 0.20 0.00 -1.44 0.00 0.00 39.64 36.84 1ddx n ILE 2539CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1ddx s SER 2541N -2.12 6.62 0.14 0.00 1.04 0.45 -4.77 113.70 115.06 1ddx s SER 2541Ca 0.28 1.33 -0.29 0.00 0.48 0.00 0.00 55.95 57.75 1ddx s SER 2541Cb 0.20 -2.40 -0.04 0.00 0.10 0.00 0.00 66.02 63.87 1ddx s SER 2541CO 0.37 -0.43 1.56 -0.65 0.98 0.00 0.00 173.24 175.07 1ddx h PRO 2542N 1.32 -0.35 -2.02 4.02 0.11 -1.92 -1.77 132.00 131.40 1ddx h PRO 2542Ca -0.47 0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.65 1ddx h PRO 2542Cb 1.18 0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.37 1ddx h PRO 2542CO 0.63 -0.24 -0.01 0.00 -0.21 0.00 0.00 178.00 178.18 1ddx n GLN 2543N -5.40 0.71 0.00 1.05 -0.00 -1.26 -2.67 117.38 109.81 1ddx n GLN 2543Ca -0.02 -0.04 0.00 0.00 -0.00 0.00 0.00 57.00 56.94 1ddx n GLN 2543Cb 0.35 -1.20 0.00 0.00 -0.00 0.00 0.00 30.24 29.39 1ddx n GLN 2543CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 1ddx n TYR 2544N 1.72 0.00 -2.10 2.61 4.01 -0.76 -5.01 117.16 117.63 1ddx n TYR 2544Ca 0.02 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.44 1ddx n TYR 2544Cb 0.35 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.33 1ddx n TYR 2544CO 0.00 0.00 0.00 1.87 -0.46 0.00 0.00 176.86 178.27 1ddx n TRP 2545N -1.12 3.02 -3.62 -0.72 -0.00 -0.74 -4.56 117.44 109.70 1ddx n TRP 2545Ca 0.00 -1.73 -0.10 0.00 -0.00 0.00 0.00 57.50 55.67 1ddx n TRP 2545Cb 0.00 -2.58 -0.07 0.00 -0.00 0.00 0.00 31.31 28.66 1ddx n TRP 2545CO 0.00 0.00 0.00 -1.59 -0.00 0.00 0.00 177.69 176.10 1ddx s LYS 2546N 5.98 0.55 0.16 5.87 -2.85 -1.26 -5.00 119.74 123.19 1ddx s LYS 2546Ca 0.65 0.51 -0.08 0.00 -1.00 0.00 0.00 55.97 56.05 1ddx s LYS 2546Cb 0.01 0.27 0.21 0.00 -2.06 0.00 0.00 37.83 36.26 1ddx s LYS 2546CO 0.12 -0.10 0.97 -2.30 0.10 0.00 0.00 175.35 174.15 1ddx n PRO 2547N 1.89 -0.11 -0.20 1.78 -0.01 -1.26 -0.12 135.00 136.97 1ddx n PRO 2547Ca -0.12 0.97 -0.07 0.00 -0.01 0.00 0.00 63.50 64.26 1ddx n PRO 2547Cb 0.56 -1.44 -0.06 0.00 -0.01 0.00 0.00 33.50 32.55 1ddx n PRO 2547CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 175.50 176.15 1ddx h SER 2548N 0.00 -1.23 -1.32 2.55 4.64 -1.90 2.48 113.55 118.76 1ddx h SER 2548Ca 0.25 0.18 0.38 0.00 -0.47 0.00 0.00 61.79 62.14 1ddx h SER 2548Cb 0.41 0.54 -0.05 0.00 -0.31 0.00 0.00 62.40 62.98 1ddx h SER 2548CO -0.63 -0.17 1.24 0.41 -0.87 0.00 0.00 176.83 176.81 1ddx n THR 2549N -4.32 0.00 -1.41 2.95 -1.04 0.83 0.08 114.28 111.37 1ddx n THR 2549Ca 0.00 1.28 0.07 0.00 -2.04 0.00 0.00 64.05 63.36 1ddx n THR 2549Cb 0.17 -2.22 0.18 0.00 -1.82 0.00 0.00 70.33 66.64 1ddx n THR 2549CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1ddx n PHE 2550N -3.39 0.00 -1.09 -1.42 3.01 0.22 -4.92 117.46 109.88 1ddx n PHE 2550Ca 0.30 -1.31 -0.01 0.00 1.01 0.00 0.00 57.45 57.43 1ddx n PHE 2550Cb 1.63 -0.21 -0.01 0.00 -0.01 0.00 0.00 39.48 40.89 1ddx n PHE 2550CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ddx n GLY 2551N -1.23 0.47 0.21 1.37 0.00 0.11 -4.26 105.19 101.86 1ddx n GLY 2551Ca 0.18 -1.03 0.03 0.00 0.00 0.00 0.00 46.02 45.20 1ddx n GLY 2551CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ddx n GLY 2552N -2.75 -1.36 0.19 -0.02 0.00 0.77 -4.36 105.19 97.65 1ddx n GLY 2552Ca -0.01 -1.48 -0.05 0.00 0.00 0.00 0.00 46.02 44.48 1ddx n GLY 2552CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ddx n GLU 2553N -1.48 -0.19 0.00 1.61 -0.58 -1.26 -0.88 120.64 117.86 1ddx n GLU 2553Ca 0.00 0.68 0.00 0.00 -0.42 0.00 0.00 57.16 57.42 1ddx n GLU 2553Cb 0.10 -1.00 0.00 0.00 -0.57 0.00 0.00 31.44 29.97 1ddx n GLU 2553CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1ddx n VAL 2554N -4.57 0.00 0.27 2.62 0.31 -1.26 0.68 118.33 116.38 1ddx n VAL 2554Ca 0.01 1.41 0.16 0.00 -0.01 0.00 0.00 64.34 65.91 1ddx n VAL 2554Cb 0.12 -2.09 0.87 0.00 -0.91 0.00 0.00 33.84 31.83 1ddx n VAL 2554CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1ddx h GLY 2555N 0.00 0.00 0.16 2.92 0.00 -1.52 -1.87 103.07 102.75 1ddx h GLY 2555Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1ddx h GLY 2555CO 0.00 0.00 -0.05 -2.75 0.00 0.00 0.00 176.54 173.74 1ddx h PHE 2556N 0.00 -0.13 -0.93 5.60 3.57 0.96 -3.32 116.94 122.69 1ddx h PHE 2556Ca 0.00 -0.00 0.15 0.00 3.53 0.00 0.00 57.97 61.65 1ddx h PHE 2556Cb 0.24 0.04 -0.16 0.00 2.79 0.00 0.00 35.95 38.86 1ddx h PHE 2556CO 0.00 0.20 -0.35 -0.22 -2.23 0.00 0.00 178.31 175.71 1ddx h LYS 2557N -0.99 -0.02 -0.57 1.11 3.64 0.11 0.70 116.57 120.55 1ddx h LYS 2557Ca -0.01 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.42 1ddx h LYS 2557Cb 0.39 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.15 1ddx h LYS 2557CO 0.02 -0.01 -0.34 -0.89 -2.27 0.00 0.00 179.45 175.96 1ddx n ILE 2558N -5.49 -0.39 0.13 2.00 5.41 -1.01 0.39 119.36 120.39 1ddx n ILE 2558Ca 0.10 1.45 -0.13 0.00 1.00 0.00 0.00 62.75 65.18 1ddx n ILE 2558Cb 0.41 -1.80 -0.06 0.00 -0.71 0.00 0.00 39.64 37.48 1ddx n ILE 2558CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 1ddx h ILE 2559N 0.00 0.58 0.00 1.39 2.04 -0.99 -2.09 117.51 118.44 1ddx h ILE 2559Ca 0.09 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.95 1ddx h ILE 2559Cb 0.23 0.58 0.00 0.00 -0.74 0.00 0.00 36.82 36.89 1ddx h ILE 2559CO -0.54 0.00 0.00 0.59 0.00 0.00 0.00 178.15 178.20 1ddx n ASN 2560N -5.31 0.09 -3.14 1.72 3.02 0.16 -2.68 115.26 109.12 1ddx n ASN 2560Ca -0.07 0.54 -0.23 0.00 -0.03 0.00 0.00 54.58 54.79 1ddx n ASN 2560Cb 0.23 -0.56 -0.05 0.00 -0.61 0.00 0.00 39.78 38.80 1ddx n ASN 2560CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1ddx n THR 2561N -1.63 1.05 -4.78 3.41 -2.24 0.64 -5.06 114.28 105.68 1ddx n THR 2561Ca -0.00 -4.88 -0.26 0.00 -2.27 0.00 0.00 64.05 56.64 1ddx n THR 2561Cb 0.01 -1.09 -0.16 0.00 -2.10 0.00 0.00 70.33 66.99 1ddx n THR 2561CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ddx s ALA 2562N -2.57 1.48 -0.04 6.98 0.00 -1.09 -4.82 121.76 121.71 1ddx s ALA 2562Ca 0.42 -0.61 -0.05 0.00 0.00 0.00 0.00 51.96 51.71 1ddx s ALA 2562Cb 0.28 -0.56 0.01 0.00 0.00 0.00 0.00 23.12 22.85 1ddx s ALA 2562CO -0.10 0.22 0.14 -1.54 0.00 0.00 0.00 175.76 174.48 1ddx s SER 2563N 0.30 -0.10 0.44 0.00 1.04 -1.26 -4.32 113.70 109.80 1ddx s SER 2563Ca -0.09 0.16 0.28 0.00 0.48 0.00 0.00 55.95 56.77 1ddx s SER 2563Cb -0.14 0.27 1.35 0.00 0.10 0.00 0.00 66.02 67.60 1ddx s SER 2563CO 0.03 -0.13 1.69 -0.29 0.98 0.00 0.00 173.24 175.53 1ddx h ILE 2564N 4.77 0.28 0.00 -1.02 6.09 -1.98 0.33 117.51 125.98 1ddx h ILE 2564Ca -0.27 -0.06 0.00 0.00 -1.37 0.00 0.00 64.86 63.16 1ddx h ILE 2564Cb 1.20 0.09 0.00 0.00 0.47 0.00 0.00 36.82 38.58 1ddx h ILE 2564CO 0.41 0.03 0.00 1.67 -3.07 0.00 0.00 178.15 177.20 1ddx n GLN 2565N -4.57 0.00 -0.21 2.19 -0.06 -1.26 -1.25 117.38 112.21 1ddx n GLN 2565Ca 0.32 0.51 0.02 0.00 -2.00 0.00 0.00 57.00 55.85 1ddx n GLN 2565Cb 1.25 -1.35 0.13 0.00 -4.06 0.00 0.00 30.24 26.21 1ddx n GLN 2565CO 0.00 0.00 0.00 0.66 -0.20 0.00 0.00 177.06 177.52 1ddx h SER 2566N 0.00 0.05 -0.95 1.69 4.64 -1.41 0.63 113.55 118.20 1ddx h SER 2566Ca 0.00 0.12 0.25 0.00 -0.47 0.00 0.00 61.79 61.69 1ddx h SER 2566Cb 0.00 0.15 -0.17 0.00 -0.31 0.00 0.00 62.40 62.06 1ddx h SER 2566CO 0.00 0.02 0.03 0.25 -0.87 0.00 0.00 176.83 176.26 1ddx h LEU 2567N 0.29 -0.45 0.17 5.97 5.85 -0.21 0.80 115.31 127.73 1ddx h LEU 2567Ca 0.34 0.26 -0.30 0.00 0.84 0.00 0.00 57.88 59.03 1ddx h LEU 2567Cb 0.52 0.46 0.01 0.00 0.37 0.00 0.00 40.66 42.02 1ddx h LEU 2567CO -0.42 -0.32 -1.36 0.40 -0.34 0.00 0.00 178.44 176.41 1ddx h ILE 2568N 0.04 1.38 -0.18 4.05 5.03 0.65 -2.87 117.51 125.61 1ddx h ILE 2568Ca 0.57 -2.91 0.05 0.00 -0.12 0.00 0.00 64.86 62.45 1ddx h ILE 2568Cb 1.13 2.96 -0.06 0.00 -3.03 0.00 0.00 36.82 37.82 1ddx h ILE 2568CO -0.87 0.86 -0.18 0.00 -0.68 0.00 0.00 178.15 177.28 1ddx h ASN 2570N -0.20 -0.40 0.28 0.00 2.35 -0.36 -3.34 115.58 113.91 1ddx h ASN 2570Ca 0.11 -0.13 -0.05 0.00 -0.55 0.00 0.00 56.30 55.69 1ddx h ASN 2570Cb 0.38 0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.84 1ddx h ASN 2570CO -0.30 0.05 -0.22 0.78 -1.65 0.00 0.00 177.43 176.08 1ddx h ASN 2571N -1.00 0.00 -3.25 5.81 2.35 -1.48 -3.44 115.58 114.57 1ddx h ASN 2571Ca -0.05 0.00 -0.66 0.00 -0.55 0.00 0.00 56.30 55.04 1ddx h ASN 2571Cb 0.51 0.00 -0.12 0.00 0.05 0.00 0.00 38.32 38.76 1ddx h ASN 2571CO 0.08 0.22 -0.62 -0.69 -1.65 0.00 0.00 177.43 174.78 1ddx s VAL 2572N -4.42 4.40 0.64 2.81 1.01 0.15 -4.99 120.40 120.00 1ddx s VAL 2572Ca -0.03 -0.55 -0.18 0.00 0.00 0.00 0.00 61.98 61.22 1ddx s VAL 2572Cb 0.15 -2.99 -0.02 0.00 0.00 0.00 0.00 36.38 33.51 1ddx s VAL 2572CO 0.68 0.34 1.19 1.17 0.00 0.00 0.00 175.10 178.49 1ddx n LYS 2573N 1.23 1.03 -0.65 2.72 4.81 -1.26 -2.81 118.16 123.23 1ddx n LYS 2573Ca -0.13 0.41 0.00 0.00 -0.87 0.00 0.00 58.31 57.71 1ddx n LYS 2573Cb 0.53 -2.42 0.00 0.00 0.02 0.00 0.00 35.03 33.15 1ddx n LYS 2573CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ddx n GLY 2574N 1.04 0.00 3.79 3.14 0.00 -1.26 -3.58 105.19 108.32 1ddx n GLY 2574Ca 0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.90 1ddx n GLY 2574CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ddx n PRO 2576N -4.28 2.55 -1.49 0.00 -0.04 -1.23 -4.89 135.00 125.62 1ddx n PRO 2576Ca -0.21 0.93 -0.37 0.00 -0.04 0.00 0.00 63.50 63.81 1ddx n PRO 2576Cb 0.64 -2.83 0.05 0.00 -0.04 0.00 0.00 33.50 31.33 1ddx n PRO 2576CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1ddx n PHE 2577N 6.64 0.00 -3.76 0.54 7.35 -1.26 -4.74 117.46 122.23 1ddx n PHE 2577Ca 0.21 0.42 -0.09 0.00 -0.76 0.00 0.00 57.45 57.23 1ddx n PHE 2577Cb 0.35 -2.03 -0.03 0.00 0.35 0.00 0.00 39.48 38.12 1ddx n PHE 2577CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 1ddx s THR 2578N -1.68 0.01 0.11 -2.13 2.01 -1.26 -4.69 115.64 108.01 1ddx s THR 2578Ca 0.72 -0.80 -0.26 0.00 0.31 0.00 0.00 61.69 61.66 1ddx s THR 2578Cb -0.41 -1.72 0.08 0.00 0.01 0.00 0.00 72.50 70.46 1ddx s THR 2578CO 0.51 -0.03 1.06 -0.55 -0.69 0.00 0.00 174.62 174.92 1ddx s SER 2579N -2.89 -0.13 0.00 3.53 0.15 -1.26 -4.74 113.70 108.36 1ddx s SER 2579Ca 0.10 -0.36 0.20 0.00 0.70 0.00 0.00 55.95 56.59 1ddx s SER 2579Cb -0.03 0.40 0.53 0.00 -1.71 0.00 0.00 66.02 65.21 1ddx s SER 2579CO 0.01 -0.75 1.44 0.49 1.20 0.00 0.00 173.24 175.63 1ddx n PHE 2580N -0.50 0.52 -4.98 3.44 0.99 -1.26 -4.64 117.46 111.02 1ddx n PHE 2580Ca -0.06 -0.26 -0.32 0.00 -0.00 0.00 0.00 57.45 56.80 1ddx n PHE 2580Cb 0.61 0.00 -0.15 0.00 -1.00 0.00 0.00 39.48 38.94 1ddx n PHE 2580CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.76 177.97 1ddx s ASN 2581N -1.32 3.60 -1.26 4.37 3.04 -1.26 -2.54 114.94 119.57 1ddx s ASN 2581Ca 0.36 -0.42 -0.17 0.00 0.04 0.00 0.00 52.86 52.68 1ddx s ASN 2581Cb 0.20 -1.43 0.10 0.00 -1.54 0.00 0.00 41.25 38.58 1ddx s ASN 2581CO 0.28 0.18 1.64 0.54 -3.04 0.00 0.00 177.10 176.70 1ddx s VAL 2582N 0.24 4.39 0.00 -5.21 0.11 0.53 -4.84 120.40 115.62 1ddx s VAL 2582Ca -0.12 -2.11 0.00 0.00 -2.93 0.00 0.00 61.98 56.82 1ddx s VAL 2582Cb -0.16 -5.11 0.00 0.00 -1.53 0.00 0.00 36.38 29.58 1ddx s VAL 2582CO 0.06 -1.91 0.00 0.00 -3.33 0.00 0.00 175.10 169.93