#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sq5 s THR 2010N 0.00 1.07 -2.00 2.03 -4.23 -1.26 -5.02 115.64 106.23 1sq5 s THR 2010Ca 0.00 -2.03 0.03 0.00 -1.18 0.00 0.00 61.69 58.50 1sq5 s THR 2010Cb 0.00 -2.42 0.08 0.00 1.34 0.00 0.00 72.50 71.49 1sq5 s THR 2010CO 0.00 -0.27 0.93 -2.65 -0.54 0.00 0.00 174.62 172.09 1sq5 n PRO 2011N -0.46 0.82 -4.72 3.99 -0.02 -1.26 -4.81 135.00 128.53 1sq5 n PRO 2011Ca -0.04 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.14 1sq5 n PRO 2011Cb 0.64 -1.05 -0.14 0.00 -0.02 0.00 0.00 33.50 32.93 1sq5 n PRO 2011CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 1sq5 s TYR 2012N -2.00 2.32 0.18 6.00 1.51 -1.26 -0.42 117.35 123.68 1sq5 s TYR 2012Ca 0.04 -0.40 -0.14 0.00 -1.01 0.00 0.00 57.07 55.56 1sq5 s TYR 2012Cb 0.02 -1.34 -0.07 0.00 -0.11 0.00 0.00 41.96 40.46 1sq5 s TYR 2012CO 0.03 0.20 0.58 -0.51 -1.11 0.00 0.00 175.55 174.74 1sq5 s LEU 2013N -1.54 4.30 -0.02 -1.29 1.43 0.16 -4.84 118.68 116.88 1sq5 s LEU 2013Ca 0.13 1.10 0.07 0.00 -1.03 0.00 0.00 54.13 54.39 1sq5 s LEU 2013Cb -0.10 -3.40 -0.02 0.00 0.03 0.00 0.00 46.19 42.70 1sq5 s LEU 2013CO 0.03 0.05 -0.21 -1.58 0.23 0.00 0.00 176.35 174.87 1sq5 s GLN 2014N -2.14 1.74 -0.03 1.70 0.74 -1.26 -1.64 119.66 118.76 1sq5 s GLN 2014Ca 0.41 -0.77 0.00 0.00 0.05 0.00 0.00 55.36 55.04 1sq5 s GLN 2014Cb -0.14 -1.68 0.03 0.00 1.10 0.00 0.00 33.01 32.31 1sq5 s GLN 2014CO 0.20 0.46 0.01 -0.06 -0.55 0.00 0.00 175.29 175.34 1sq5 s PHE 2015N -0.51 0.31 0.82 1.67 0.40 -0.19 -5.00 117.98 115.48 1sq5 s PHE 2015Ca 0.08 0.01 -0.10 0.00 -0.60 0.00 0.00 56.93 56.33 1sq5 s PHE 2015Cb -0.08 -0.44 0.13 0.00 0.51 0.00 0.00 43.02 43.14 1sq5 s PHE 2015CO -0.01 -0.15 1.15 0.16 0.70 0.00 0.00 175.22 177.07 1sq5 s ASP 2016N 1.18 4.03 0.19 1.36 1.47 -1.26 -0.84 116.67 122.80 1sq5 s ASP 2016Ca -0.08 0.25 -0.14 0.00 1.18 0.00 0.00 52.55 53.77 1sq5 s ASP 2016Cb -0.13 -0.60 0.21 0.00 -0.34 0.00 0.00 42.92 42.06 1sq5 s ASP 2016CO -0.02 -2.13 1.66 -0.09 0.68 0.00 0.00 175.17 175.27 1sq5 h ARG 2017N -1.04 0.05 -0.67 2.11 2.43 -1.73 -1.62 114.38 113.92 1sq5 h ARG 2017Ca -0.43 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.73 1sq5 h ARG 2017Cb 1.28 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.78 1sq5 h ARG 2017CO 0.48 0.04 0.39 -0.91 -1.51 0.00 0.00 179.97 178.45 1sq5 h ASN 2018N 0.06 0.83 -0.58 -3.80 2.35 -1.93 0.49 115.58 112.99 1sq5 h ASN 2018Ca 0.27 -0.08 -0.03 0.00 -0.55 0.00 0.00 56.30 55.90 1sq5 h ASN 2018Cb 0.42 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.55 1sq5 h ASN 2018CO -0.50 0.67 0.23 1.56 -1.65 0.00 0.00 177.43 177.74 1sq5 h GLN 2019N 0.92 0.87 -0.23 0.81 4.20 -1.80 0.24 115.11 120.13 1sq5 h GLN 2019Ca 0.24 -0.16 -0.04 0.00 0.06 0.00 0.00 58.65 58.75 1sq5 h GLN 2019Cb 0.01 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.64 1sq5 h GLN 2019CO -0.04 0.75 -0.03 2.35 -0.67 0.00 0.00 178.83 181.19 1sq5 h TRP 2020N 0.81 0.47 0.00 2.96 2.91 -1.05 -2.80 115.95 119.24 1sq5 h TRP 2020Ca 0.19 -0.09 -0.03 0.00 1.13 0.00 0.00 58.89 60.09 1sq5 h TRP 2020Cb 0.20 -0.12 -0.00 0.00 -0.51 0.00 0.00 29.16 28.73 1sq5 h TRP 2020CO 0.01 0.63 -0.14 0.00 -1.03 0.00 0.00 178.44 177.91 1sq5 h ALA 2021N 0.78 1.59 0.00 2.65 0.00 -0.74 -1.54 119.26 121.99 1sq5 h ALA 2021Ca 0.06 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1sq5 h ALA 2021Cb 0.46 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1sq5 h ALA 2021CO 0.02 0.17 0.00 0.00 0.00 0.00 0.00 179.25 179.44 1sq5 n ALA 2022N -2.43 2.19 0.81 0.00 0.00 0.06 -2.99 120.51 118.15 1sq5 n ALA 2022Ca -0.02 -0.11 0.13 0.00 0.00 0.00 0.00 53.44 53.43 1sq5 n ALA 2022Cb 0.22 -1.28 0.52 0.00 0.00 0.00 0.00 19.45 18.91 1sq5 n ALA 2022CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1sq5 n LEU 2023N -0.96 0.20 0.00 0.00 4.77 -0.58 -5.07 117.00 115.37 1sq5 n LEU 2023Ca 0.13 0.52 0.00 0.00 -0.03 0.00 0.00 56.01 56.63 1sq5 n LEU 2023Cb 0.06 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 40.68 1sq5 n LEU 2023CO 0.10 -0.11 0.00 0.54 -1.33 0.00 0.00 177.39 176.59 1sq5 n ARG 2024N -1.70 0.20 0.00 3.23 1.74 -1.16 -5.07 116.66 113.90 1sq5 n ARG 2024Ca 0.06 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.14 1sq5 n ARG 2024Cb 0.32 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.76 1sq5 n ARG 2024CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1sq5 n LEU 2031N 0.00 0.00 -4.83 0.55 4.77 -1.26 -5.20 117.00 111.03 1sq5 n LEU 2031Ca 0.00 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.67 1sq5 n LEU 2031Cb 0.00 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.13 1sq5 n LEU 2031CO 0.00 0.00 0.71 -0.94 -1.33 0.00 0.00 177.39 175.83 1sq5 s SER 2032N 0.00 5.61 0.29 -1.43 1.04 -1.26 -4.80 113.70 113.14 1sq5 s SER 2032Ca 0.00 1.59 0.03 0.00 0.48 0.00 0.00 55.95 58.05 1sq5 s SER 2032Cb 0.00 -2.49 0.65 0.00 0.10 0.00 0.00 66.02 64.27 1sq5 s SER 2032CO 0.00 -1.29 1.78 -0.33 0.98 0.00 0.00 173.24 174.38 1sq5 h GLU 2033N -0.51 0.73 -0.09 4.02 5.08 -2.05 0.13 114.58 121.89 1sq5 h GLU 2033Ca -0.44 -0.04 -0.13 0.00 -1.00 0.00 0.00 59.36 57.75 1sq5 h GLU 2033Cb 1.21 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.28 1sq5 h GLU 2033CO 0.58 0.48 -0.50 -0.44 -1.00 0.00 0.00 179.01 178.13 1sq5 h ASP 2034N 0.75 0.27 -0.31 1.42 3.32 -1.99 -1.43 116.42 118.45 1sq5 h ASP 2034Ca 0.53 -0.13 -0.09 0.00 0.02 0.00 0.00 57.03 57.36 1sq5 h ASP 2034Cb 0.76 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.23 1sq5 h ASP 2034CO -0.36 0.73 -0.14 -0.33 -1.72 0.00 0.00 179.24 177.41 1sq5 h GLU 2035N 0.20 0.65 -0.36 3.56 5.08 -1.19 -1.28 114.58 121.23 1sq5 h GLU 2035Ca 0.01 -0.28 -0.08 0.00 -1.00 0.00 0.00 59.36 58.01 1sq5 h GLU 2035Cb 0.96 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.17 1sq5 h GLU 2035CO 0.08 0.87 -0.11 0.82 -1.00 0.00 0.00 179.01 179.66 1sq5 h ILE 2036N 0.41 1.24 -0.42 3.13 2.04 -0.87 -1.20 117.51 121.84 1sq5 h ILE 2036Ca 0.07 -1.08 -0.06 0.00 1.00 0.00 0.00 64.86 64.79 1sq5 h ILE 2036Cb 0.67 1.09 -0.02 0.00 -0.74 0.00 0.00 36.82 37.82 1sq5 h ILE 2036CO 0.04 0.36 0.04 0.00 0.00 0.00 0.00 178.15 178.60 1sq5 h ALA 2037N 1.31 0.56 -0.33 1.87 0.00 -1.11 -0.21 119.26 121.36 1sq5 h ALA 2037Ca 0.10 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1sq5 h ALA 2037Cb 0.53 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1sq5 h ALA 2037CO 0.03 0.31 0.17 -0.09 0.00 0.00 0.00 179.25 179.67 1sq5 h ARG 2038N 0.56 0.47 -0.35 0.00 2.43 -0.91 0.22 114.38 116.81 1sq5 h ARG 2038Ca 0.12 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1sq5 h ARG 2038Cb 0.42 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.86 1sq5 h ARG 2038CO 0.01 0.41 0.23 -0.07 -1.51 0.00 0.00 179.97 179.04 1sq5 h LEU 2039N 0.40 0.39 -1.38 3.80 3.38 -1.06 0.77 115.31 121.62 1sq5 h LEU 2039Ca 0.11 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 1sq5 h LEU 2039Cb 0.08 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 1sq5 h LEU 2039CO -0.02 0.28 0.34 0.11 0.09 0.00 0.00 178.44 179.24 1sq5 h LYS 2040N 0.46 0.76 -0.21 1.13 1.57 -0.68 -0.63 116.57 118.97 1sq5 h LYS 2040Ca 0.13 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.77 1sq5 h LYS 2040Cb -0.05 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.09 1sq5 h LYS 2040CO -0.03 0.53 -0.22 0.78 -0.57 0.00 0.00 179.45 179.94 1sq5 h GLY 2041N 0.81 0.41 0.86 3.86 0.00 0.66 -2.82 103.07 106.86 1sq5 h GLY 2041Ca 0.20 -0.31 -0.02 0.00 0.00 0.00 0.00 47.33 47.20 1sq5 h GLY 2041CO -0.04 0.28 -0.20 -2.22 0.00 0.00 0.00 176.54 174.36 1sq5 h ILE 2042N 0.34 0.58 -2.32 2.60 2.04 0.68 -3.42 117.51 118.01 1sq5 h ILE 2042Ca 0.06 -0.25 -0.28 0.00 1.00 0.00 0.00 64.86 65.38 1sq5 h ILE 2042Cb 0.58 0.70 -0.34 0.00 -0.74 0.00 0.00 36.82 37.02 1sq5 h ILE 2042CO 0.04 0.05 -0.59 0.21 0.00 0.00 0.00 178.15 177.85 1sq5 s ASN 2043N -4.80 1.16 0.59 1.72 3.84 -0.97 -5.02 114.94 111.45 1sq5 s ASN 2043Ca -0.15 -0.20 0.29 0.00 0.21 0.00 0.00 52.86 53.01 1sq5 s ASN 2043Cb 0.03 0.57 1.68 0.00 -0.55 0.00 0.00 41.25 42.98 1sq5 s ASN 2043CO 0.59 -0.33 2.13 -0.08 -2.79 0.00 0.00 177.10 176.62 1sq5 h GLU 2044N 8.28 0.00 -0.01 0.43 4.81 -1.77 -0.43 114.58 125.89 1sq5 h GLU 2044Ca -0.17 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.06 1sq5 h GLU 2044Cb 1.14 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.52 1sq5 h GLU 2044CO 0.29 0.00 -0.16 -0.25 -0.73 0.00 0.00 179.01 178.15 1sq5 n ASP 2045N -3.83 0.71 -4.65 1.04 9.92 -1.26 -4.87 116.55 113.61 1sq5 n ASP 2045Ca 0.01 -0.72 -0.43 0.00 -0.53 0.00 0.00 54.79 53.12 1sq5 n ASP 2045Cb 0.27 0.01 -0.02 0.00 -0.64 0.00 0.00 41.12 40.74 1sq5 n ASP 2045CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 1sq5 s LEU 2046N -2.47 4.12 -0.08 0.64 2.96 -0.17 -4.98 118.68 118.69 1sq5 s LEU 2046Ca 0.27 1.71 -0.30 0.00 -0.22 0.00 0.00 54.13 55.60 1sq5 s LEU 2046Cb 0.20 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 43.31 1sq5 s LEU 2046CO 0.49 -0.92 1.47 -0.55 -1.32 0.00 0.00 176.35 175.52 1sq5 s SER 2047N 2.73 6.80 0.59 3.68 0.15 -1.26 -4.90 113.70 121.49 1sq5 s SER 2047Ca 0.61 2.02 0.34 0.00 0.70 0.00 0.00 55.95 59.62 1sq5 s SER 2047Cb -0.24 -2.54 1.83 0.00 -1.71 0.00 0.00 66.02 63.36 1sq5 s SER 2047CO 0.21 -0.83 2.20 -0.07 1.20 0.00 0.00 173.24 175.95 1sq5 h LEU 2048N 9.72 0.00 -0.07 3.45 3.38 -1.98 -0.08 115.31 129.73 1sq5 h LEU 2048Ca -0.34 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.38 1sq5 h LEU 2048Cb 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 1sq5 h LEU 2048CO 0.95 0.04 -1.06 -0.08 0.09 0.00 0.00 178.44 178.39 1sq5 h GLU 2049N 0.00 0.35 -0.49 1.13 4.81 -1.99 -2.09 114.58 116.29 1sq5 h GLU 2049Ca -0.00 -0.45 -0.04 0.00 -0.13 0.00 0.00 59.36 58.75 1sq5 h GLU 2049Cb 0.17 0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.67 1sq5 h GLU 2049CO 0.01 1.14 0.16 1.49 -0.73 0.00 0.00 179.01 181.08 1sq5 h GLU 2050N 0.16 0.76 -0.11 1.92 4.57 -1.46 -0.20 114.58 120.22 1sq5 h GLU 2050Ca -0.10 -0.16 0.00 0.00 -1.18 0.00 0.00 59.36 57.92 1sq5 h GLU 2050Cb 1.72 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 30.20 1sq5 h GLU 2050CO 0.18 0.71 0.07 0.28 -1.18 0.00 0.00 179.01 179.07 1sq5 h VAL 2051N 0.66 1.04 -0.57 0.32 2.07 -1.18 0.28 116.25 118.88 1sq5 h VAL 2051Ca 0.16 -0.10 -0.06 0.00 0.82 0.00 0.00 66.70 67.52 1sq5 h VAL 2051Cb 0.26 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 1sq5 h VAL 2051CO -0.01 0.04 0.13 0.00 0.02 0.00 0.00 177.57 177.75 1sq5 h ALA 2052N 1.02 1.15 0.00 1.67 0.00 -1.15 -0.30 119.26 121.65 1sq5 h ALA 2052Ca 0.04 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.63 1sq5 h ALA 2052Cb 0.01 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1sq5 h ALA 2052CO -0.01 0.57 -1.36 0.39 0.00 0.00 0.00 179.25 178.84 1sq5 n GLU 2053N -4.26 0.62 -0.00 0.00 1.02 -0.11 -4.47 120.64 113.44 1sq5 n GLU 2053Ca 0.04 0.14 -0.04 0.00 -0.02 0.00 0.00 57.16 57.28 1sq5 n GLU 2053Cb 0.24 -1.78 -0.01 0.00 -0.02 0.00 0.00 31.44 29.87 1sq5 n GLU 2053CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1sq5 n ILE 2054N -2.75 1.13 0.13 -3.67 2.08 0.96 -3.92 119.36 113.33 1sq5 n ILE 2054Ca -0.07 0.24 -0.01 0.00 0.56 0.00 0.00 62.75 63.47 1sq5 n ILE 2054Cb 0.73 -1.77 0.17 0.00 -0.75 0.00 0.00 39.64 38.02 1sq5 n ILE 2054CO 0.00 0.00 0.00 1.88 0.56 0.00 0.00 176.55 178.99 1sq5 h TYR 2055N -0.29 0.02 -0.12 1.39 -1.99 -1.41 -2.36 116.97 112.20 1sq5 h TYR 2055Ca -0.04 -0.01 -0.02 0.00 2.00 0.00 0.00 58.73 60.66 1sq5 h TYR 2055Cb 0.48 -0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.20 1sq5 h TYR 2055CO -0.11 0.62 -0.02 -0.07 -0.00 0.00 0.00 178.16 178.59 1sq5 h LEU 2056N 0.01 0.23 -1.33 3.88 3.38 -1.29 0.12 115.31 120.31 1sq5 h LEU 2056Ca -0.01 -0.35 -0.01 0.00 0.09 0.00 0.00 57.88 57.60 1sq5 h LEU 2056Cb 1.09 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.75 1sq5 h LEU 2056CO 0.08 0.52 0.27 -0.65 0.09 0.00 0.00 178.44 178.76 1sq5 h PRO 2057N -0.07 0.73 -0.60 1.13 0.11 -1.80 -0.61 132.00 130.89 1sq5 h PRO 2057Ca 0.03 -0.08 -0.09 0.00 0.11 0.00 0.00 66.00 65.97 1sq5 h PRO 2057Cb 0.42 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.36 1sq5 h PRO 2057CO 0.01 0.55 0.01 1.25 -0.21 0.00 0.00 178.00 179.60 1sq5 h LEU 2058N 0.74 1.03 -1.04 2.35 5.85 -1.22 -0.54 115.31 122.48 1sq5 h LEU 2058Ca 0.19 -0.30 -0.10 0.00 0.84 0.00 0.00 57.88 58.50 1sq5 h LEU 2058Cb 0.04 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.78 1sq5 h LEU 2058CO -0.03 1.08 -0.42 0.77 -0.34 0.00 0.00 178.44 179.50 1sq5 h SER 2059N 0.95 0.12 -0.13 1.25 4.64 -0.21 -1.35 113.55 118.82 1sq5 h SER 2059Ca 0.17 -0.05 -0.03 0.00 -0.47 0.00 0.00 61.79 61.41 1sq5 h SER 2059Cb 0.55 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1sq5 h SER 2059CO 0.03 0.53 -0.03 0.03 -0.87 0.00 0.00 176.83 176.52 1sq5 h ARG 2060N 0.10 0.25 -0.34 4.77 3.08 -0.69 -1.27 114.38 120.28 1sq5 h ARG 2060Ca 0.01 -0.10 0.06 0.00 0.07 0.00 0.00 59.98 60.02 1sq5 h ARG 2060Cb 0.79 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.77 1sq5 h ARG 2060CO 0.06 0.54 0.00 1.25 -1.07 0.00 0.00 179.97 180.75 1sq5 h LEU 2061N -0.06 -0.13 -0.96 3.04 5.85 -0.83 -1.39 115.31 120.82 1sq5 h LEU 2061Ca 0.03 0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.86 1sq5 h LEU 2061Cb 0.45 0.14 -0.06 0.00 0.37 0.00 0.00 40.66 41.56 1sq5 h LEU 2061CO 0.01 -0.03 0.63 -0.07 -0.34 0.00 0.00 178.44 178.64 1sq5 h LEU 2062N 0.10 1.05 -1.30 2.25 3.38 -1.16 -1.70 115.31 117.93 1sq5 h LEU 2062Ca 0.16 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 1sq5 h LEU 2062Cb 0.22 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1sq5 h LEU 2062CO -0.27 0.73 0.15 -1.13 0.09 0.00 0.00 178.44 178.00 1sq5 h ASN 2063N 1.23 0.58 -0.65 -0.43 -0.73 -0.22 -0.31 115.58 115.04 1sq5 h ASN 2063Ca 0.38 -0.07 -0.06 0.00 1.87 0.00 0.00 56.30 58.42 1sq5 h ASN 2063Cb -0.01 -0.15 -0.03 0.00 0.27 0.00 0.00 38.32 38.40 1sq5 h ASN 2063CO -0.12 0.54 0.15 -0.26 -0.37 0.00 0.00 177.43 177.38 1sq5 h PHE 2064N 0.63 1.09 -0.46 0.67 0.05 -0.37 0.25 116.94 118.80 1sq5 h PHE 2064Ca 0.15 -0.13 -0.11 0.00 3.82 0.00 0.00 57.97 61.70 1sq5 h PHE 2064Cb 0.17 -0.31 -0.01 0.00 2.00 0.00 0.00 35.95 37.80 1sq5 h PHE 2064CO 0.01 0.91 -0.15 1.88 -0.18 0.00 0.00 178.31 180.77 1sq5 h TYR 2065N 0.96 1.04 -0.28 -0.55 -1.99 -0.99 -1.30 116.97 113.86 1sq5 h TYR 2065Ca 0.20 -0.24 -0.05 0.00 2.00 0.00 0.00 58.73 60.65 1sq5 h TYR 2065Cb 0.37 -0.25 -0.01 0.00 2.00 0.00 0.00 36.73 38.84 1sq5 h TYR 2065CO 0.03 1.02 -0.00 0.82 -0.00 0.00 0.00 178.16 180.03 1sq5 h ILE 2066N 0.76 1.26 -0.20 -2.88 2.04 -0.82 -1.68 117.51 115.99 1sq5 h ILE 2066Ca 0.11 -0.94 0.00 0.00 1.00 0.00 0.00 64.86 65.04 1sq5 h ILE 2066Cb 0.71 1.31 -0.01 0.00 -0.74 0.00 0.00 36.82 38.10 1sq5 h ILE 2066CO 0.05 0.30 0.13 0.28 0.00 0.00 0.00 178.15 178.91 1sq5 h SER 2067N 0.28 0.21 -0.99 1.72 0.02 -0.48 -0.12 113.55 114.20 1sq5 h SER 2067Ca 0.08 -0.00 0.09 0.00 -0.84 0.00 0.00 61.79 61.12 1sq5 h SER 2067Cb 0.43 -0.05 -0.07 0.00 0.14 0.00 0.00 62.40 62.85 1sq5 h SER 2067CO 0.02 0.16 0.63 -1.28 -1.14 0.00 0.00 176.83 175.21 1sq5 h SER 2068N 0.26 0.96 -0.41 3.07 0.87 -1.15 -0.85 113.55 116.30 1sq5 h SER 2068Ca 0.07 0.03 -0.14 0.00 -1.23 0.00 0.00 61.79 60.52 1sq5 h SER 2068Cb -0.02 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 61.76 1sq5 h SER 2068CO -0.02 0.56 -0.29 -1.13 -0.53 0.00 0.00 176.83 175.42 1sq5 h ASN 2069N 1.06 0.98 -0.03 6.23 -0.73 -0.45 -2.10 115.58 120.53 1sq5 h ASN 2069Ca 0.46 -0.40 -0.10 0.00 1.87 0.00 0.00 56.30 58.13 1sq5 h ASN 2069Cb 0.35 -0.27 -0.01 0.00 0.27 0.00 0.00 38.32 38.65 1sq5 h ASN 2069CO -0.21 1.19 -0.29 -0.07 -0.37 0.00 0.00 177.43 177.68 1sq5 h LEU 2070N 0.80 0.48 -0.20 0.34 3.38 -0.13 -1.88 115.31 118.09 1sq5 h LEU 2070Ca 0.09 -0.17 -0.20 0.00 0.09 0.00 0.00 57.88 57.69 1sq5 h LEU 2070Cb 0.86 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 41.49 1sq5 h LEU 2070CO 0.08 0.76 -0.65 0.03 0.09 0.00 0.00 178.44 178.75 1sq5 h ARG 2071N 0.41 0.79 -0.76 1.13 3.08 -1.10 -2.19 114.38 115.74 1sq5 h ARG 2071Ca 0.06 -0.58 -0.04 0.00 0.07 0.00 0.00 59.98 59.48 1sq5 h ARG 2071Cb 0.72 0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.84 1sq5 h ARG 2071CO 0.06 1.20 0.31 -0.09 -1.07 0.00 0.00 179.97 180.38 1sq5 h ARG 2072N 0.53 1.13 -0.81 0.04 2.43 -1.29 -1.56 114.38 114.85 1sq5 h ARG 2072Ca -0.02 -0.20 0.02 0.00 -0.81 0.00 0.00 59.98 58.97 1sq5 h ARG 2072Cb 1.27 -0.19 -0.04 0.00 -0.42 0.00 0.00 29.97 30.59 1sq5 h ARG 2072CO 0.14 0.91 0.54 0.37 -1.51 0.00 0.00 179.97 180.42 1sq5 h GLN 2073N 1.09 1.02 -0.21 0.20 -0.00 -1.25 0.21 115.11 116.17 1sq5 h GLN 2073Ca 0.26 -0.06 -0.02 0.00 -0.00 0.00 0.00 58.65 58.82 1sq5 h GLN 2073Cb 0.20 -0.23 -0.01 0.00 0.00 0.00 0.00 27.48 27.44 1sq5 h GLN 2073CO -0.02 0.67 0.05 0.00 0.00 0.00 0.00 178.83 179.53 1sq5 h ALA 2074N 1.51 0.27 -0.67 3.38 0.00 -0.67 0.33 119.26 123.41 1sq5 h ALA 2074Ca 0.31 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 1sq5 h ALA 2074Cb -0.04 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1sq5 h ALA 2074CO -0.08 -0.08 0.25 0.28 0.00 0.00 0.00 179.25 179.62 1sq5 h VAL 2075N 0.15 1.24 -0.27 0.00 2.07 -0.49 -2.51 116.25 116.45 1sq5 h VAL 2075Ca 0.07 -0.79 -0.13 0.00 0.82 0.00 0.00 66.70 66.66 1sq5 h VAL 2075Cb 0.27 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 1sq5 h VAL 2075CO 0.00 0.31 -0.39 -0.07 0.02 0.00 0.00 177.57 177.44 1sq5 h LEU 2076N 0.96 0.66 -1.01 2.57 3.38 -0.52 -2.24 115.31 119.11 1sq5 h LEU 2076Ca 0.22 -0.29 0.02 0.00 0.09 0.00 0.00 57.88 57.92 1sq5 h LEU 2076Cb 0.23 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.74 1sq5 h LEU 2076CO -0.02 0.98 0.67 -0.08 0.09 0.00 0.00 178.44 180.08 1sq5 h GLU 2077N 0.52 1.29 -0.12 1.13 4.81 -0.61 0.39 114.58 121.99 1sq5 h GLU 2077Ca 0.05 -0.08 -0.04 0.00 -0.13 0.00 0.00 59.36 59.16 1sq5 h GLU 2077Cb 0.90 -0.29 -0.00 0.00 0.63 0.00 0.00 28.75 29.99 1sq5 h GLU 2077CO 0.08 0.85 -0.08 0.37 -0.73 0.00 0.00 179.01 179.51 1sq5 h GLN 2078N 1.33 0.26 0.51 1.92 4.15 -1.33 0.14 115.11 122.09 1sq5 h GLN 2078Ca 0.38 -0.12 -0.02 0.00 0.77 0.00 0.00 58.65 59.66 1sq5 h GLN 2078Cb -0.09 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.61 1sq5 h GLN 2078CO -0.10 0.62 -0.24 0.35 -1.93 0.00 0.00 178.83 177.53 1sq5 h PHE 2079N -0.10 -0.63 0.00 3.99 3.57 -0.94 -3.08 116.94 119.74 1sq5 h PHE 2079Ca 0.02 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 1sq5 h PHE 2079Cb 0.56 0.21 -0.00 0.00 2.79 0.00 0.00 35.95 39.50 1sq5 h PHE 2079CO 0.07 -0.31 -0.06 -0.07 -2.23 0.00 0.00 178.31 175.71 1sq5 h LEU 2080N -0.91 0.00 -0.59 0.59 3.38 -0.33 -3.47 115.31 113.98 1sq5 h LEU 2080Ca -0.07 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.52 1sq5 h LEU 2080Cb 0.60 0.00 0.12 0.00 0.09 0.00 0.00 40.66 41.48 1sq5 h LEU 2080CO 0.11 0.06 -0.64 0.61 0.09 0.00 0.00 178.44 178.67 1sq5 n GLY 2081N -0.30 -0.48 3.96 0.83 0.00 0.47 -5.00 105.19 104.67 1sq5 n GLY 2081Ca -0.01 0.20 -0.22 0.00 0.00 0.00 0.00 46.02 46.00 1sq5 n GLY 2081CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1sq5 s THR 2082N -3.28 2.73 0.00 2.61 -4.23 -1.11 -5.05 115.64 107.31 1sq5 s THR 2082Ca 0.52 -0.58 0.00 0.00 -1.18 0.00 0.00 61.69 60.46 1sq5 s THR 2082Cb -0.23 -3.05 0.00 0.00 1.34 0.00 0.00 72.50 70.56 1sq5 s THR 2082CO 0.65 -0.04 0.00 -0.46 -0.54 0.00 0.00 174.62 174.23 1sq5 n ASN 2083N -2.42 -0.02 0.00 3.99 0.23 -1.26 -4.92 115.26 110.86 1sq5 n ASN 2083Ca 0.07 -0.07 0.00 0.00 -0.53 0.00 0.00 54.58 54.06 1sq5 n ASN 2083Cb 0.60 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.30 1sq5 n ASN 2083CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1sq5 n GLY 2084N 4.34 -1.95 2.54 4.83 0.00 -1.26 -4.96 105.19 108.72 1sq5 n GLY 2084Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 1sq5 n GLY 2084CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sq5 n GLN 2085N 0.00 -1.21 -2.70 1.61 -0.00 -1.26 -4.92 117.38 108.90 1sq5 n GLN 2085Ca 0.00 1.37 -0.42 0.00 -0.00 0.00 0.00 57.00 57.95 1sq5 n GLN 2085Cb 0.00 -4.47 -0.03 0.00 -0.00 0.00 0.00 30.24 25.74 1sq5 n GLN 2085CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 1sq5 s ARG 2086N -2.67 3.28 -0.14 2.61 3.00 -1.26 -5.01 118.95 118.76 1sq5 s ARG 2086Ca 0.07 -0.27 -0.17 0.00 0.00 0.00 0.00 55.73 55.35 1sq5 s ARG 2086Cb -0.02 -4.12 -0.04 0.00 0.00 0.00 0.00 34.95 30.77 1sq5 s ARG 2086CO 0.53 -1.80 0.43 0.42 0.00 0.00 0.00 175.30 174.88 1sq5 s ILE 2087N 4.72 5.22 0.48 1.52 -1.09 -1.26 -4.91 121.20 125.87 1sq5 s ILE 2087Ca 0.33 0.83 -0.23 0.00 -2.23 0.00 0.00 60.65 59.34 1sq5 s ILE 2087Cb -0.11 -3.76 -0.07 0.00 -1.58 0.00 0.00 42.46 36.94 1sq5 s ILE 2087CO 0.17 0.33 1.27 -2.84 -1.23 0.00 0.00 174.94 172.65 1sq5 s PRO 2088N 0.68 3.58 -0.06 2.79 0.02 -1.26 -4.99 135.00 135.76 1sq5 s PRO 2088Ca 0.23 2.04 -0.23 0.00 0.02 0.00 0.00 61.00 63.06 1sq5 s PRO 2088Cb -0.15 -2.44 -0.04 0.00 0.02 0.00 0.00 34.50 31.90 1sq5 s PRO 2088CO 0.08 -0.78 0.70 -0.47 -0.33 0.00 0.00 177.00 176.21 1sq5 s TYR 2089N -1.38 3.59 -0.13 6.54 5.04 -0.35 -4.90 117.35 125.75 1sq5 s TYR 2089Ca 0.65 1.26 -0.01 0.00 -2.44 0.00 0.00 57.07 56.54 1sq5 s TYR 2089Cb -0.35 -2.80 -0.02 0.00 0.35 0.00 0.00 41.96 39.14 1sq5 s TYR 2089CO 0.43 0.11 -0.12 0.42 -1.34 0.00 0.00 175.55 175.05 1sq5 s ILE 2090N 0.72 3.16 -0.13 3.14 1.01 -1.26 -0.79 121.20 127.04 1sq5 s ILE 2090Ca 0.37 -0.62 0.02 0.00 0.00 0.00 0.00 60.65 60.42 1sq5 s ILE 2090Cb -0.18 -2.33 0.00 0.00 0.01 0.00 0.00 42.46 39.96 1sq5 s ILE 2090CO 0.18 0.52 -0.20 -0.63 0.00 0.00 0.00 174.94 174.81 1sq5 s ILE 2091N 0.34 2.26 0.16 2.92 1.01 0.41 -1.24 121.20 127.07 1sq5 s ILE 2091Ca -0.10 -0.92 0.06 0.00 0.00 0.00 0.00 60.65 59.69 1sq5 s ILE 2091Cb -0.16 -1.91 -0.04 0.00 0.01 0.00 0.00 42.46 40.36 1sq5 s ILE 2091CO 0.05 0.54 0.04 -0.94 0.00 0.00 0.00 174.94 174.63 1sq5 s SER 2092N 0.68 5.02 -0.11 3.58 1.04 -0.37 0.42 113.70 123.95 1sq5 s SER 2092Ca -0.10 -0.29 -0.02 0.00 0.48 0.00 0.00 55.95 56.03 1sq5 s SER 2092Cb -0.16 -1.16 0.04 0.00 0.10 0.00 0.00 66.02 64.84 1sq5 s SER 2092CO 0.01 0.09 0.01 -0.63 0.98 0.00 0.00 173.24 173.71 1sq5 s ILE 2093N -1.68 0.48 0.49 -1.02 1.01 0.29 -1.04 121.20 119.72 1sq5 s ILE 2093Ca 0.28 -0.13 0.05 0.00 0.00 0.00 0.00 60.65 60.85 1sq5 s ILE 2093Cb -0.10 -0.74 -0.01 0.00 0.01 0.00 0.00 42.46 41.63 1sq5 s ILE 2093CO 0.20 0.12 0.25 0.00 0.00 0.00 0.00 174.94 175.51 1sq5 s ALA 2094N 1.91 4.06 0.00 9.38 0.00 0.11 -1.31 121.76 135.92 1sq5 s ALA 2094Ca 0.03 -1.42 0.00 0.00 0.00 0.00 0.00 51.96 50.57 1sq5 s ALA 2094Cb -0.14 -0.49 0.00 0.00 0.00 0.00 0.00 23.12 22.49 1sq5 s ALA 2094CO -0.06 -0.26 0.00 0.41 0.00 0.00 0.00 175.76 175.85 1sq5 n GLY 2095N -1.48 3.05 3.62 0.00 0.00 -1.26 -0.72 105.19 108.40 1sq5 n GLY 2095Ca -0.04 -1.78 -0.34 0.00 0.00 0.00 0.00 46.02 43.86 1sq5 n GLY 2095CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1sq5 n SER 2096N 0.00 0.27 -4.75 1.61 2.88 -1.26 -4.28 113.62 108.09 1sq5 n SER 2096Ca 0.00 0.56 -0.41 0.00 -1.33 0.00 0.00 58.87 57.68 1sq5 n SER 2096Cb 0.00 -1.42 -0.02 0.00 -0.75 0.00 0.00 64.21 62.02 1sq5 n SER 2096CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1sq5 s VAL 2097N -2.13 2.41 -0.07 2.46 1.01 -1.26 -2.18 120.40 120.64 1sq5 s VAL 2097Ca 0.70 0.36 0.00 0.00 0.00 0.00 0.00 61.98 63.04 1sq5 s VAL 2097Cb -0.29 -3.23 0.00 0.00 0.00 0.00 0.00 36.38 32.86 1sq5 s VAL 2097CO 0.54 0.06 0.00 0.00 0.00 0.00 0.00 175.10 175.70 1sq5 n ALA 2098N 1.97 -0.01 0.19 5.51 0.00 -1.26 -4.89 120.51 122.01 1sq5 n ALA 2098Ca 0.06 0.01 0.08 0.00 0.00 0.00 0.00 53.44 53.59 1sq5 n ALA 2098Cb 0.39 -0.53 0.15 0.00 0.00 0.00 0.00 19.45 19.46 1sq5 n ALA 2098CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1sq5 h VAL 2099N 0.00 0.45 0.00 0.00 3.04 -1.79 -3.42 116.25 114.53 1sq5 h VAL 2099Ca -0.01 -1.56 0.00 0.00 -1.01 0.00 0.00 66.70 64.12 1sq5 h VAL 2099Cb 0.33 2.16 0.00 0.00 -2.01 0.00 0.00 31.29 31.77 1sq5 h VAL 2099CO 0.02 0.25 0.00 0.61 -1.01 0.00 0.00 177.57 177.44 1sq5 n GLY 2100N 1.03 1.96 0.12 3.17 0.00 -1.26 -4.97 105.19 105.24 1sq5 n GLY 2100Ca 0.03 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 1sq5 n GLY 2100CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sq5 h LYS 2101N 0.00 0.32 -0.66 1.61 1.57 -1.91 -0.56 116.57 116.93 1sq5 h LYS 2101Ca 0.00 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1sq5 h LYS 2101Cb 0.00 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.22 1sq5 h LYS 2101CO 0.00 0.31 0.41 1.03 -0.57 0.00 0.00 179.45 180.63 1sq5 h SER 2102N 0.24 0.79 -0.25 0.86 0.87 -1.96 0.17 113.55 114.28 1sq5 h SER 2102Ca 0.08 -0.06 -0.05 0.00 -1.23 0.00 0.00 61.79 60.53 1sq5 h SER 2102Cb 0.09 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 61.84 1sq5 h SER 2102CO -0.01 0.62 -0.04 0.74 -0.53 0.00 0.00 176.83 177.60 1sq5 h THR 2103N 0.90 1.28 -0.42 2.23 2.02 -1.95 -2.01 112.91 114.95 1sq5 h THR 2103Ca 0.24 -1.02 0.01 0.00 0.77 0.00 0.00 66.41 66.40 1sq5 h THR 2103Cb -0.04 1.44 -0.02 0.00 -1.74 0.00 0.00 68.15 67.79 1sq5 h THR 2103CO -0.05 0.32 0.27 0.74 0.37 0.00 0.00 175.52 177.18 1sq5 h THR 2104N 0.22 1.10 0.12 3.16 2.02 -0.79 -0.58 112.91 118.16 1sq5 h THR 2104Ca 0.07 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 67.06 1sq5 h THR 2104Cb 0.50 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 67.38 1sq5 h THR 2104CO 0.02 0.10 -0.12 0.00 0.37 0.00 0.00 175.52 175.89 1sq5 h ALA 2105N 1.16 -0.24 -0.45 6.16 0.00 -0.62 -0.47 119.26 124.80 1sq5 h ALA 2105Ca 0.16 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1sq5 h ALA 2105Cb -0.05 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1sq5 h ALA 2105CO -0.04 -0.65 0.12 0.00 0.00 0.00 0.00 179.25 178.68 1sq5 h ARG 2106N -0.27 0.66 -0.20 0.00 3.08 -1.19 0.17 114.38 116.63 1sq5 h ARG 2106Ca 0.01 -0.11 -0.04 0.00 0.07 0.00 0.00 59.98 59.91 1sq5 h ARG 2106Cb 0.26 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 1sq5 h ARG 2106CO -0.04 0.59 -0.02 0.28 -1.07 0.00 0.00 179.97 179.72 1sq5 h VAL 2107N 0.65 1.27 -0.31 2.04 2.07 -0.83 -2.15 116.25 118.99 1sq5 h VAL 2107Ca 0.15 -0.92 -0.05 0.00 0.82 0.00 0.00 66.70 66.70 1sq5 h VAL 2107Cb 0.22 1.49 -0.02 0.00 -1.52 0.00 0.00 31.29 31.46 1sq5 h VAL 2107CO -0.01 0.28 -0.02 -0.07 0.02 0.00 0.00 177.57 177.77 1sq5 h LEU 2108N 0.10 0.45 -0.54 2.57 3.38 -0.59 -0.95 115.31 119.72 1sq5 h LEU 2108Ca 0.05 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 1sq5 h LEU 2108Cb 0.43 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 1sq5 h LEU 2108CO 0.01 0.54 0.19 -0.61 0.09 0.00 0.00 178.44 178.66 1sq5 h GLN 2109N 0.46 0.83 -0.08 1.13 4.15 -0.51 -0.42 115.11 120.66 1sq5 h GLN 2109Ca 0.10 -0.17 -0.01 0.00 0.77 0.00 0.00 58.65 59.34 1sq5 h GLN 2109Cb 0.34 -0.13 -0.00 0.00 0.21 0.00 0.00 27.48 27.90 1sq5 h GLN 2109CO 0.01 0.74 0.01 0.00 -1.93 0.00 0.00 178.83 177.66 1sq5 h ALA 2110N 1.05 0.11 -0.46 3.38 0.00 -0.90 -2.92 119.26 119.51 1sq5 h ALA 2110Ca 0.18 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1sq5 h ALA 2110Cb 0.24 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1sq5 h ALA 2110CO -0.01 -0.23 0.06 -0.07 0.00 0.00 0.00 179.25 179.00 1sq5 h LEU 2111N -0.12 0.75 -2.42 0.00 3.38 -1.12 -2.64 115.31 113.14 1sq5 h LEU 2111Ca 0.02 -0.27 -0.00 0.00 0.09 0.00 0.00 57.88 57.72 1sq5 h LEU 2111Cb 0.31 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 1sq5 h LEU 2111CO 0.00 0.83 -0.01 -0.07 0.09 0.00 0.00 178.44 179.28 1sq5 h LEU 2112N 0.64 0.00 -0.51 1.67 3.38 -1.11 -1.08 115.31 118.30 1sq5 h LEU 2112Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1sq5 h LEU 2112Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1sq5 h LEU 2112CO 0.01 0.01 0.00 -1.20 0.09 0.00 0.00 178.44 177.35 1sq5 n SER 2113N -3.16 0.57 0.18 -0.43 7.64 -0.99 -3.19 113.62 114.23 1sq5 n SER 2113Ca -0.02 0.63 0.04 0.00 1.01 0.00 0.00 58.87 60.53 1sq5 n SER 2113Cb 0.16 -0.75 0.46 0.00 -1.01 0.00 0.00 64.21 63.07 1sq5 n SER 2113CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1sq5 h ARG 2114N 0.00 0.11 -6.52 1.43 3.08 -1.28 -3.43 114.38 107.77 1sq5 h ARG 2114Ca 0.00 -0.02 -0.52 0.00 0.07 0.00 0.00 59.98 59.50 1sq5 h ARG 2114Cb 0.39 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.40 1sq5 h ARG 2114CO 0.00 0.26 0.37 -1.58 -1.07 0.00 0.00 179.97 177.94 1sq5 s TRP 2115N -4.71 3.76 0.54 3.04 0.51 -1.19 -4.94 118.94 115.95 1sq5 s TRP 2115Ca -0.05 1.77 0.23 0.00 -2.12 0.00 0.00 56.10 55.92 1sq5 s TRP 2115Cb 0.16 -3.08 1.41 0.00 -0.81 0.00 0.00 33.47 31.15 1sq5 s TRP 2115CO 0.71 0.12 2.08 -1.35 -0.51 0.00 0.00 176.95 178.00 1sq5 h PRO 2116N 5.97 0.00 -0.06 4.98 0.11 -1.91 -1.86 132.00 139.23 1sq5 h PRO 2116Ca -0.42 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.59 1sq5 h PRO 2116Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1sq5 h PRO 2116CO 0.73 0.00 -0.39 0.93 -0.21 0.00 0.00 178.00 179.06 1sq5 h GLU 2117N 0.00 0.12 -3.28 1.05 3.07 -1.94 -3.34 114.58 110.27 1sq5 h GLU 2117Ca 0.12 -0.05 -0.77 0.00 -0.50 0.00 0.00 59.36 58.16 1sq5 h GLU 2117Cb 0.52 -0.00 -0.19 0.00 -0.84 0.00 0.00 28.75 28.24 1sq5 h GLU 2117CO -0.00 0.50 1.72 0.72 -1.40 0.00 0.00 179.01 180.55 1sq5 n HIS 2118N -4.05 2.71 -0.14 4.33 8.25 -0.70 -4.76 115.22 120.86 1sq5 n HIS 2118Ca -0.02 -2.72 -0.04 0.00 -0.26 0.00 0.00 57.72 54.68 1sq5 n HIS 2118Cb 0.45 -1.75 0.16 0.00 1.12 0.00 0.00 29.99 29.96 1sq5 n HIS 2118CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1sq5 h ARG 2119N 5.57 0.87 -4.21 -0.41 3.08 -1.79 -3.41 114.38 114.08 1sq5 h ARG 2119Ca 0.36 -0.20 -0.59 0.00 0.07 0.00 0.00 59.98 59.62 1sq5 h ARG 2119Cb 0.60 -0.12 -0.38 0.00 0.08 0.00 0.00 29.97 30.15 1sq5 h ARG 2119CO 1.54 0.81 -0.78 -0.98 -1.07 0.00 0.00 179.97 179.49 1sq5 s ARG 2120N -5.15 1.46 -0.30 0.04 3.03 -1.26 -5.01 118.95 111.76 1sq5 s ARG 2120Ca -0.10 -0.85 -0.00 0.00 2.03 0.00 0.00 55.73 56.81 1sq5 s ARG 2120Cb 0.15 -2.45 0.06 0.00 -1.03 0.00 0.00 34.95 31.68 1sq5 s ARG 2120CO 0.81 -0.58 -0.01 0.08 -1.13 0.00 0.00 175.30 174.46 1sq5 s VAL 2121N 1.49 2.75 0.12 4.99 1.01 -1.26 -0.50 120.40 129.01 1sq5 s VAL 2121Ca -0.04 -1.55 -0.02 0.00 0.00 0.00 0.00 61.98 60.36 1sq5 s VAL 2121Cb -0.18 -2.63 -0.05 0.00 0.00 0.00 0.00 36.38 33.52 1sq5 s VAL 2121CO -0.07 -0.15 0.32 -1.61 0.00 0.00 0.00 175.10 173.59 1sq5 s GLU 2122N 1.18 3.54 -0.11 2.72 0.41 0.37 -4.97 118.70 121.83 1sq5 s GLU 2122Ca -0.04 -0.26 0.01 0.00 -0.41 0.00 0.00 54.97 54.26 1sq5 s GLU 2122Cb -0.20 -2.92 0.02 0.00 -1.78 0.00 0.00 34.13 29.25 1sq5 s GLU 2122CO -0.03 0.51 -0.14 -1.17 -0.49 0.00 0.00 175.26 173.94 1sq5 s LEU 2123N -2.72 1.63 -0.03 1.80 0.20 -1.26 0.35 118.68 118.65 1sq5 s LEU 2123Ca 0.38 -0.41 0.03 0.00 0.69 0.00 0.00 54.13 54.82 1sq5 s LEU 2123Cb -0.12 -1.06 0.00 0.00 -0.43 0.00 0.00 46.19 44.59 1sq5 s LEU 2123CO 0.27 -0.02 -0.11 -0.63 -0.29 0.00 0.00 176.35 175.57 1sq5 s ILE 2124N 1.17 0.93 0.14 6.68 -1.09 0.13 -4.97 121.20 124.19 1sq5 s ILE 2124Ca -0.03 -0.43 0.05 0.00 -2.23 0.00 0.00 60.65 58.01 1sq5 s ILE 2124Cb -0.14 -0.82 -0.04 0.00 -1.58 0.00 0.00 42.46 39.88 1sq5 s ILE 2124CO -0.04 0.29 0.10 0.42 -1.23 0.00 0.00 174.94 174.48 1sq5 s THR 2125N 0.25 4.42 -1.40 2.92 -4.23 -1.26 -0.57 115.64 115.76 1sq5 s THR 2125Ca -0.05 -1.01 0.29 0.00 -1.18 0.00 0.00 61.69 59.74 1sq5 s THR 2125Cb -0.10 -3.21 0.43 0.00 1.34 0.00 0.00 72.50 70.96 1sq5 s THR 2125CO 0.01 -0.03 1.94 0.35 -0.54 0.00 0.00 174.62 176.35 1sq5 n THR 2126N -0.06 0.00 -0.15 3.99 -2.24 -0.12 -3.65 114.28 112.06 1sq5 n THR 2126Ca -0.09 -0.02 0.12 0.00 -2.27 0.00 0.00 64.05 61.79 1sq5 n THR 2126Cb 0.54 -0.33 0.46 0.00 -2.10 0.00 0.00 70.33 68.89 1sq5 n THR 2126CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1sq5 h ASP 2127N 0.18 0.47 0.71 3.42 3.32 -1.95 -0.17 116.42 122.40 1sq5 h ASP 2127Ca 0.00 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1sq5 h ASP 2127Cb 0.35 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.82 1sq5 h ASP 2127CO 0.00 0.27 0.00 1.23 -1.72 0.00 0.00 179.24 179.02 1sq5 h GLY 2128N 0.52 0.00 -0.41 2.75 0.00 -1.77 -2.69 103.07 101.46 1sq5 h GLY 2128Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.66 1sq5 h GLY 2128CO -0.11 0.00 0.00 0.69 0.00 0.00 0.00 176.54 177.12 1sq5 n PHE 2129N -2.93 0.00 -1.75 5.60 3.01 -0.08 -4.32 117.46 117.01 1sq5 n PHE 2129Ca -0.00 -0.00 -0.35 0.00 1.01 0.00 0.00 57.45 58.11 1sq5 n PHE 2129Cb 0.23 0.00 0.06 0.00 -0.01 0.00 0.00 39.48 39.76 1sq5 n PHE 2129CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1sq5 s LEU 2130N -2.00 3.48 0.45 4.37 1.43 -1.02 -0.58 118.68 124.82 1sq5 s LEU 2130Ca 0.38 2.30 -0.23 0.00 -1.03 0.00 0.00 54.13 55.55 1sq5 s LEU 2130Cb 0.21 -4.59 -0.08 0.00 0.03 0.00 0.00 46.19 41.77 1sq5 s LEU 2130CO 0.34 -1.85 1.16 -1.00 0.23 0.00 0.00 176.35 175.23 1sq5 s HIS 2131N -1.89 2.91 0.90 0.29 3.76 0.01 -4.72 115.29 116.54 1sq5 s HIS 2131Ca 0.74 1.54 -0.11 0.00 -0.15 0.00 0.00 55.06 57.08 1sq5 s HIS 2131Cb -0.28 -3.37 0.13 0.00 1.11 0.00 0.00 32.58 30.17 1sq5 s HIS 2131CO 0.39 -1.45 1.14 -2.30 -0.85 0.00 0.00 174.74 171.67 1sq5 n PRO 2132N -0.43 -0.32 -0.20 8.40 -0.02 -1.26 -4.62 135.00 136.55 1sq5 n PRO 2132Ca 0.07 -0.02 0.15 0.00 -2.02 0.00 0.00 63.50 61.67 1sq5 n PRO 2132Cb 0.48 -2.38 0.47 0.00 -0.02 0.00 0.00 33.50 32.05 1sq5 n PRO 2132CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 1sq5 h ASN 2133N -1.67 0.46 -0.37 2.55 2.35 -1.92 -1.03 115.58 115.95 1sq5 h ASN 2133Ca -0.44 0.03 0.04 0.00 -0.55 0.00 0.00 56.30 55.38 1sq5 h ASN 2133Cb 1.28 -0.06 -0.04 0.00 0.05 0.00 0.00 38.32 39.55 1sq5 h ASN 2133CO 0.42 0.23 0.15 -0.61 -1.65 0.00 0.00 177.43 175.98 1sq5 h GLN 2134N 0.49 0.32 -0.19 0.81 4.15 -2.00 -0.74 115.11 117.94 1sq5 h GLN 2134Ca 0.40 -0.02 -0.06 0.00 0.77 0.00 0.00 58.65 59.74 1sq5 h GLN 2134Cb 0.84 -0.07 -0.00 0.00 0.21 0.00 0.00 27.48 28.45 1sq5 h GLN 2134CO -0.15 0.21 -0.10 0.28 -1.93 0.00 0.00 178.83 177.14 1sq5 h VAL 2135N 0.33 1.31 -0.72 2.39 2.07 -1.56 -2.69 116.25 117.37 1sq5 h VAL 2135Ca 0.16 -1.17 0.07 0.00 0.82 0.00 0.00 66.70 66.59 1sq5 h VAL 2135Cb 0.11 1.67 -0.06 0.00 -1.52 0.00 0.00 31.29 31.49 1sq5 h VAL 2135CO -0.14 0.35 0.40 -0.07 0.02 0.00 0.00 177.57 178.13 1sq5 h LEU 2136N 0.10 0.57 -0.49 2.57 3.38 -1.04 -1.29 115.31 119.11 1sq5 h LEU 2136Ca 0.04 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 1sq5 h LEU 2136Cb 0.59 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 1sq5 h LEU 2136CO 0.03 0.36 0.18 0.50 0.09 0.00 0.00 178.44 179.60 1sq5 h LYS 2137N 0.71 0.73 -0.99 1.13 3.64 -1.13 0.52 116.57 121.18 1sq5 h LYS 2137Ca 0.33 -0.14 0.03 0.00 -1.27 0.00 0.00 60.65 59.61 1sq5 h LYS 2137Cb 0.25 -0.12 -0.06 0.00 -0.41 0.00 0.00 32.23 31.90 1sq5 h LYS 2137CO -0.21 0.67 0.65 0.93 -2.27 0.00 0.00 179.45 179.21 1sq5 h GLU 2138N 0.65 1.22 -0.28 1.90 5.08 -1.05 -1.15 114.58 120.96 1sq5 h GLU 2138Ca 0.16 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1sq5 h GLU 2138Cb 0.21 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 29.19 1sq5 h GLU 2138CO -0.01 0.81 0.00 0.54 -1.00 0.00 0.00 179.01 179.35 1sq5 n ARG 2139N -4.43 1.74 -3.66 2.33 1.74 -0.55 -4.92 116.66 108.90 1sq5 n ARG 2139Ca 0.13 -1.13 -0.24 0.00 -0.77 0.00 0.00 57.85 55.83 1sq5 n ARG 2139Cb 0.08 -1.30 0.06 0.00 -1.02 0.00 0.00 32.46 30.29 1sq5 n ARG 2139CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1sq5 n GLY 2140N 1.05 -0.49 0.07 -0.13 0.00 -0.21 -4.91 105.19 100.58 1sq5 n GLY 2140Ca 0.13 0.21 0.08 0.00 0.00 0.00 0.00 46.02 46.44 1sq5 n GLY 2140CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1sq5 n LEU 2141N -4.76 2.19 0.15 0.99 4.77 0.17 -4.73 117.00 115.77 1sq5 n LEU 2141Ca -0.05 -2.80 0.12 0.00 -0.03 0.00 0.00 56.01 53.24 1sq5 n LEU 2141Cb 0.58 -0.34 0.54 0.00 -2.33 0.00 0.00 43.42 41.86 1sq5 n LEU 2141CO 0.67 0.65 0.85 0.80 -1.33 0.00 0.00 177.39 179.03 1sq5 n MET 2142N -1.22 0.17 -0.48 3.23 1.56 -1.24 -0.78 117.12 118.37 1sq5 n MET 2142Ca 0.13 0.52 0.08 0.00 -0.27 0.00 0.00 57.70 58.15 1sq5 n MET 2142Cb 0.58 -1.92 0.27 0.00 2.15 0.00 0.00 33.22 34.30 1sq5 n MET 2142CO 0.00 0.00 0.00 1.63 -0.73 0.00 0.00 175.97 176.87 1sq5 n LYS 2143N -2.26 3.24 -0.59 2.12 4.76 -1.26 -4.47 118.16 119.70 1sq5 n LYS 2143Ca 0.01 -2.77 0.05 0.00 -2.87 0.00 0.00 58.31 52.73 1sq5 n LYS 2143Cb 0.15 -1.82 0.10 0.00 -1.84 0.00 0.00 35.03 31.62 1sq5 n LYS 2143CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1sq5 n LYS 2144N -0.08 0.79 -1.76 1.97 4.76 0.04 -4.91 118.16 118.97 1sq5 n LYS 2144Ca 0.21 -2.26 -0.42 0.00 -2.87 0.00 0.00 58.31 52.97 1sq5 n LYS 2144Cb 0.86 -0.99 -0.03 0.00 -1.84 0.00 0.00 35.03 33.03 1sq5 n LYS 2144CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1sq5 s LYS 2145N -1.70 4.14 0.00 1.97 1.02 -1.24 -1.58 119.74 122.35 1sq5 s LYS 2145Ca 0.26 2.56 0.00 0.00 0.02 0.00 0.00 55.97 58.81 1sq5 s LYS 2145Cb 0.25 -3.17 0.00 0.00 -0.52 0.00 0.00 37.83 34.39 1sq5 s LYS 2145CO -0.04 -0.74 0.00 0.41 -0.92 0.00 0.00 175.35 174.06 1sq5 n GLY 2146N 3.98 2.90 3.85 -3.33 0.00 -1.26 -4.93 105.19 106.39 1sq5 n GLY 2146Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 1sq5 n GLY 2146CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1sq5 s PHE 2147N -2.59 3.48 0.23 1.61 0.40 -0.62 -4.93 117.98 115.57 1sq5 s PHE 2147Ca 0.00 1.41 -0.12 0.00 -0.60 0.00 0.00 56.93 57.62 1sq5 s PHE 2147Cb 0.00 -2.76 0.30 0.00 0.51 0.00 0.00 43.02 41.07 1sq5 s PHE 2147CO 0.00 -0.41 1.61 -1.35 0.70 0.00 0.00 175.22 175.77 1sq5 h PRO 2148N 0.72 -0.00 0.00 0.24 0.11 -1.87 -0.93 132.00 130.26 1sq5 h PRO 2148Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1sq5 h PRO 2148Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1sq5 h PRO 2148CO 0.62 -0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.55 1sq5 n GLU 2149N -5.49 0.14 0.00 1.05 0.00 -1.26 -1.75 120.64 113.32 1sq5 n GLU 2149Ca 0.10 0.55 0.14 0.00 0.00 0.00 0.00 57.16 57.94 1sq5 n GLU 2149Cb 0.38 -1.88 0.49 0.00 0.00 0.00 0.00 31.44 30.43 1sq5 n GLU 2149CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 1sq5 n SER 2150N -2.17 0.93 -4.79 -1.84 3.41 -0.35 -4.88 113.62 103.92 1sq5 n SER 2150Ca -0.00 -0.92 -0.31 0.00 -0.26 0.00 0.00 58.87 57.37 1sq5 n SER 2150Cb 0.10 0.05 -0.06 0.00 -0.26 0.00 0.00 64.21 64.03 1sq5 n SER 2150CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1sq5 s TYR 2151N -2.38 3.25 -1.17 7.33 1.51 -0.72 -0.81 117.35 124.36 1sq5 s TYR 2151Ca 0.29 0.13 -0.08 0.00 -1.01 0.00 0.00 57.07 56.41 1sq5 s TYR 2151Cb 0.20 -1.67 0.24 0.00 -0.11 0.00 0.00 41.96 40.62 1sq5 s TYR 2151CO 0.47 0.54 1.59 -3.47 -1.11 0.00 0.00 175.55 173.56 1sq5 n ASP 2152N 0.67 5.70 -0.35 2.29 -0.08 0.26 -4.80 116.55 120.24 1sq5 n ASP 2152Ca -0.10 -3.21 0.03 0.00 -1.51 0.00 0.00 54.79 50.00 1sq5 n ASP 2152Cb 0.52 -1.39 0.18 0.00 2.34 0.00 0.00 41.12 42.77 1sq5 n ASP 2152CO 0.00 0.00 0.00 0.24 0.12 0.00 0.00 177.20 177.56 1sq5 h MET 2153N 5.87 1.06 -0.62 -0.67 2.86 -1.89 -2.11 114.93 119.42 1sq5 h MET 2153Ca 0.28 -0.06 0.06 0.00 -2.06 0.00 0.00 59.70 57.92 1sq5 h MET 2153Cb 0.68 -0.24 -0.04 0.00 0.06 0.00 0.00 31.60 32.06 1sq5 h MET 2153CO 1.40 0.70 0.41 0.45 1.06 0.00 0.00 176.91 180.93 1sq5 h HIS 2154N 1.09 0.61 -0.29 -0.22 3.86 -1.94 0.22 115.15 118.48 1sq5 h HIS 2154Ca 0.43 0.02 -0.19 0.00 -1.16 0.00 0.00 60.37 59.47 1sq5 h HIS 2154Cb 0.24 -0.20 0.00 0.00 1.06 0.00 0.00 27.41 28.51 1sq5 h HIS 2154CO -0.01 0.33 -0.55 -0.09 0.86 0.00 0.00 177.93 178.47 1sq5 h ARG 2155N 0.60 0.88 -0.47 2.45 2.43 -1.79 -1.75 114.38 116.74 1sq5 h ARG 2155Ca 0.27 -0.56 -0.04 0.00 -0.81 0.00 0.00 59.98 58.84 1sq5 h ARG 2155Cb 0.28 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.88 1sq5 h ARG 2155CO -0.08 1.20 0.15 1.25 -1.51 0.00 0.00 179.97 180.97 1sq5 h LEU 2156N 0.67 0.69 -0.52 3.80 5.85 -1.06 -1.15 115.31 123.60 1sq5 h LEU 2156Ca 0.01 -0.21 -0.00 0.00 0.84 0.00 0.00 57.88 58.53 1sq5 h LEU 2156Cb 1.16 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.98 1sq5 h LEU 2156CO 0.12 0.71 0.32 0.58 -0.34 0.00 0.00 178.44 179.83 1sq5 h VAL 2157N 0.62 1.15 -0.11 1.05 2.07 -0.95 -2.27 116.25 117.81 1sq5 h VAL 2157Ca 0.15 -0.33 -0.04 0.00 0.82 0.00 0.00 66.70 67.30 1sq5 h VAL 2157Cb 0.27 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 1sq5 h VAL 2157CO -0.00 0.15 -0.13 0.50 0.02 0.00 0.00 177.57 178.10 1sq5 h LYS 2158N 0.69 0.17 0.47 1.57 3.64 -1.05 -0.02 116.57 122.05 1sq5 h LYS 2158Ca 0.19 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.51 1sq5 h LYS 2158Cb -0.03 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 1sq5 h LYS 2158CO -0.04 0.32 -0.23 0.35 -2.27 0.00 0.00 179.45 177.58 1sq5 h PHE 2159N 0.17 -0.59 -0.01 1.91 3.57 -0.62 0.27 116.94 121.64 1sq5 h PHE 2159Ca 0.03 -0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.41 1sq5 h PHE 2159Cb 0.35 0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.27 1sq5 h PHE 2159CO 0.00 -0.34 -0.54 -0.39 -2.23 0.00 0.00 178.31 174.81 1sq5 h VAL 2160N -0.69 1.39 -0.33 1.41 -1.51 -1.38 -2.35 116.25 112.78 1sq5 h VAL 2160Ca -0.07 -1.85 -0.02 0.00 -1.23 0.00 0.00 66.70 63.53 1sq5 h VAL 2160Cb 0.51 1.99 -0.01 0.00 -2.13 0.00 0.00 31.29 31.65 1sq5 h VAL 2160CO 0.11 0.53 0.12 -1.28 -1.23 0.00 0.00 177.57 175.81 1sq5 h SER 2161N 0.01 0.47 -0.69 4.19 0.87 -0.77 -0.53 113.55 117.11 1sq5 h SER 2161Ca -0.00 -0.19 -0.02 0.00 -1.23 0.00 0.00 61.79 60.35 1sq5 h SER 2161Cb 0.96 -0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 62.76 1sq5 h SER 2161CO 0.07 0.53 0.37 0.44 -0.53 0.00 0.00 176.83 177.71 1sq5 h ASP 2162N 0.38 0.87 -0.67 6.23 3.32 -0.28 -0.89 116.42 125.38 1sq5 h ASP 2162Ca 0.11 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 1sq5 h ASP 2162Cb 0.22 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.51 1sq5 h ASP 2162CO -0.01 0.72 0.39 -0.07 -1.72 0.00 0.00 179.24 178.56 1sq5 h LEU 2163N 0.95 0.82 0.00 1.55 3.38 -1.22 -0.93 115.31 119.87 1sq5 h LEU 2163Ca 0.24 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1sq5 h LEU 2163Cb 0.05 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.59 1sq5 h LEU 2163CO -0.04 0.66 0.00 1.17 0.09 0.00 0.00 178.44 180.32 1sq5 n LYS 2164N -4.54 0.95 0.00 1.13 3.00 -0.22 -2.29 118.16 116.18 1sq5 n LYS 2164Ca 0.05 0.00 0.09 0.00 -0.00 0.00 0.00 58.31 58.45 1sq5 n LYS 2164Cb 0.07 -1.36 -0.08 0.00 0.00 0.00 0.00 35.03 33.65 1sq5 n LYS 2164CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1sq5 n SER 2165N -0.86 1.02 0.00 3.14 7.64 -0.39 -4.97 113.62 119.20 1sq5 n SER 2165Ca 0.16 -1.01 0.00 0.00 1.01 0.00 0.00 58.87 59.03 1sq5 n SER 2165Cb 0.08 0.90 0.00 0.00 -1.01 0.00 0.00 64.21 64.18 1sq5 n SER 2165CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1sq5 n GLY 2166N 1.39 0.79 3.67 0.23 0.00 -0.97 -5.02 105.19 105.28 1sq5 n GLY 2166Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 1sq5 n GLY 2166CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1sq5 n VAL 2167N -2.20 0.68 0.00 1.61 0.31 -0.86 -4.89 118.33 112.98 1sq5 n VAL 2167Ca 0.00 -0.12 -0.10 0.00 -0.01 0.00 0.00 64.34 64.11 1sq5 n VAL 2167Cb 0.00 -2.20 -0.03 0.00 -0.91 0.00 0.00 33.84 30.70 1sq5 n VAL 2167CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1sq5 h PRO 2168N 10.03 -0.32 -5.08 5.55 0.13 -1.94 -3.41 132.00 136.96 1sq5 h PRO 2168Ca -0.49 0.02 -0.66 0.00 -0.87 0.00 0.00 66.00 64.00 1sq5 h PRO 2168Cb 1.24 0.07 -0.34 0.00 0.13 0.00 0.00 31.00 32.10 1sq5 h PRO 2168CO 0.94 -0.21 -0.86 -0.80 -0.23 0.00 0.00 178.00 176.84 1sq5 s ASN 2169N -4.96 2.99 -0.03 1.44 0.01 -1.26 -2.27 114.94 110.86 1sq5 s ASN 2169Ca -0.15 -0.58 0.07 0.00 -0.71 0.00 0.00 52.86 51.49 1sq5 s ASN 2169Cb 0.11 -1.38 -0.02 0.00 0.41 0.00 0.00 41.25 40.37 1sq5 s ASN 2169CO 0.67 0.05 -0.24 -0.69 -1.51 0.00 0.00 177.10 175.38 1sq5 s VAL 2170N 0.94 1.91 -0.05 1.60 1.01 -0.34 -4.95 120.40 120.52 1sq5 s VAL 2170Ca -0.05 -1.02 -0.00 0.00 0.00 0.00 0.00 61.98 60.91 1sq5 s VAL 2170Cb -0.15 -1.59 -0.03 0.00 0.00 0.00 0.00 36.38 34.61 1sq5 s VAL 2170CO -0.04 0.54 0.00 -0.89 0.00 0.00 0.00 175.10 174.71 1sq5 s THR 2171N -0.48 4.25 -0.00 3.92 2.01 -1.26 0.80 115.64 124.88 1sq5 s THR 2171Ca 0.07 -0.40 0.04 0.00 0.31 0.00 0.00 61.69 61.71 1sq5 s THR 2171Cb -0.10 -2.84 -0.01 0.00 0.01 0.00 0.00 72.50 69.56 1sq5 s THR 2171CO -0.00 0.51 -0.13 0.00 -0.69 0.00 0.00 174.62 174.30 1sq5 s ALA 2172N -0.97 1.12 0.71 7.40 0.00 0.50 -4.97 121.76 125.54 1sq5 s ALA 2172Ca 0.16 -0.61 -0.12 0.00 0.00 0.00 0.00 51.96 51.38 1sq5 s ALA 2172Cb -0.11 -0.27 0.02 0.00 0.00 0.00 0.00 23.12 22.76 1sq5 s ALA 2172CO 0.06 0.26 1.09 -1.25 0.00 0.00 0.00 175.76 175.92 1sq5 s PRO 2173N -0.44 2.64 -0.02 0.00 0.04 -1.26 -0.57 135.00 135.38 1sq5 s PRO 2173Ca 0.05 1.20 0.06 0.00 0.04 0.00 0.00 61.00 62.35 1sq5 s PRO 2173Cb -0.06 -1.94 -0.01 0.00 0.04 0.00 0.00 34.50 32.53 1sq5 s PRO 2173CO -0.00 -1.35 -0.21 0.08 0.04 0.00 0.00 177.00 175.56 1sq5 s VAL 2174N -2.71 1.65 0.06 -0.36 1.01 -1.26 -4.40 120.40 114.39 1sq5 s VAL 2174Ca 0.63 -0.89 0.03 0.00 0.00 0.00 0.00 61.98 61.75 1sq5 s VAL 2174Cb -0.17 -1.38 -0.04 0.00 0.00 0.00 0.00 36.38 34.79 1sq5 s VAL 2174CO 0.50 0.47 0.02 -0.47 0.00 0.00 0.00 175.10 175.62 1sq5 s TYR 2175N -0.44 3.07 -0.23 5.22 5.04 -1.26 -0.65 117.35 128.11 1sq5 s TYR 2175Ca 0.07 0.04 0.01 0.00 -2.44 0.00 0.00 57.07 54.74 1sq5 s TYR 2175Cb -0.09 -1.60 0.06 0.00 0.35 0.00 0.00 41.96 40.68 1sq5 s TYR 2175CO -0.00 0.49 -0.08 0.45 -1.34 0.00 0.00 175.55 175.07 1sq5 s SER 2176N -2.11 3.81 0.44 4.32 0.15 -0.67 -4.89 113.70 114.75 1sq5 s SER 2176Ca 0.25 -1.13 0.30 0.00 0.70 0.00 0.00 55.95 56.07 1sq5 s SER 2176Cb -0.12 -1.25 1.37 0.00 -1.71 0.00 0.00 66.02 64.32 1sq5 s SER 2176CO 0.17 -0.20 1.90 0.45 1.20 0.00 0.00 173.24 176.76 1sq5 h HIS 2177N 7.93 0.00 -0.04 3.44 3.86 -1.95 0.68 115.15 129.07 1sq5 h HIS 2177Ca -0.21 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 58.99 1sq5 h HIS 2177Cb 1.07 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.54 1sq5 h HIS 2177CO 0.52 0.00 -0.02 -0.07 0.86 0.00 0.00 177.93 179.22 1sq5 h LEU 2178N 0.00 0.09 -1.01 2.43 4.07 -1.94 -3.10 115.31 115.85 1sq5 h LEU 2178Ca 0.00 -0.43 0.00 0.00 0.08 0.00 0.00 57.88 57.53 1sq5 h LEU 2178Cb 0.31 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 42.02 1sq5 h LEU 2178CO 0.00 0.50 -0.22 2.30 -1.08 0.00 0.00 178.44 179.94 1sq5 n ILE 2179N -4.81 0.00 -3.68 1.22 -5.35 -1.02 -1.52 119.36 104.20 1sq5 n ILE 2179Ca -0.08 -0.26 -0.24 0.00 -0.27 0.00 0.00 62.75 61.91 1sq5 n ILE 2179Cb 0.25 0.88 0.05 0.00 -1.74 0.00 0.00 39.64 39.08 1sq5 n ILE 2179CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1sq5 n TYR 2180N 0.08 -2.32 -3.60 4.28 9.36 0.23 -4.79 117.16 120.40 1sq5 n TYR 2180Ca 0.13 0.92 -0.06 0.00 3.32 0.00 0.00 57.90 62.22 1sq5 n TYR 2180Cb 0.43 -4.57 -0.02 0.00 -0.63 0.00 0.00 39.34 34.55 1sq5 n TYR 2180CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 1sq5 s ASP 2181N -3.81 -0.26 0.13 2.98 2.15 -0.93 -4.91 116.67 112.03 1sq5 s ASP 2181Ca 0.33 -0.14 -0.31 0.00 0.43 0.00 0.00 52.55 52.87 1sq5 s ASP 2181Cb -0.16 0.37 -0.08 0.00 -0.30 0.00 0.00 42.92 42.75 1sq5 s ASP 2181CO 0.78 -0.64 1.37 -0.69 -0.17 0.00 0.00 175.17 175.82 1sq5 s VAL 2182N -3.04 3.28 -0.34 1.11 1.01 -1.26 -1.67 120.40 119.49 1sq5 s VAL 2182Ca 0.09 0.94 -0.29 0.00 0.00 0.00 0.00 61.98 62.72 1sq5 s VAL 2182Cb -0.01 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.77 1sq5 s VAL 2182CO -0.05 0.09 1.41 -0.63 0.00 0.00 0.00 175.10 175.92 1sq5 s ILE 2183N 0.90 3.95 0.15 2.22 1.01 0.18 -4.93 121.20 124.68 1sq5 s ILE 2183Ca 0.63 1.02 -0.31 0.00 0.00 0.00 0.00 60.65 61.99 1sq5 s ILE 2183Cb -0.37 -4.10 -0.07 0.00 0.01 0.00 0.00 42.46 37.93 1sq5 s ILE 2183CO 0.32 -0.58 1.55 1.55 0.00 0.00 0.00 174.94 177.77 1sq5 h PRO 2184N 10.26 -0.17 -2.28 2.79 0.13 -1.92 -3.16 132.00 137.65 1sq5 h PRO 2184Ca -0.28 0.01 -0.60 0.00 -0.87 0.00 0.00 66.00 64.26 1sq5 h PRO 2184Cb 1.11 0.04 -0.42 0.00 0.13 0.00 0.00 31.00 31.86 1sq5 h PRO 2184CO 1.05 -0.11 -0.58 -0.40 -0.23 0.00 0.00 178.00 177.73 1sq5 n ASP 2185N -5.32 4.50 -2.83 1.44 3.85 -1.26 -4.78 116.55 112.15 1sq5 n ASP 2185Ca -0.00 -3.66 -0.00 0.00 -0.71 0.00 0.00 54.79 50.42 1sq5 n ASP 2185Cb 0.30 -0.59 0.05 0.00 -1.35 0.00 0.00 41.12 39.53 1sq5 n ASP 2185CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1sq5 n GLY 2186N -0.11 1.79 3.72 6.12 0.00 -1.19 -5.10 105.19 110.42 1sq5 n GLY 2186Ca 0.31 -1.03 -0.42 0.00 0.00 0.00 0.00 46.02 44.89 1sq5 n GLY 2186CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1sq5 s ASP 2187N -3.68 6.84 -0.12 1.61 1.11 -1.26 -4.19 116.67 116.98 1sq5 s ASP 2187Ca 0.26 2.34 -0.20 0.00 0.18 0.00 0.00 52.55 55.14 1sq5 s ASP 2187Cb 0.33 -2.59 -0.04 0.00 1.07 0.00 0.00 42.92 41.69 1sq5 s ASP 2187CO -0.04 -0.62 0.56 -0.75 1.18 0.00 0.00 175.17 175.50 1sq5 s LYS 2188N 0.79 4.34 -0.25 8.23 2.20 0.26 -4.86 119.74 130.46 1sq5 s LYS 2188Ca 0.63 0.58 -0.13 0.00 -0.36 0.00 0.00 55.97 56.69 1sq5 s LYS 2188Cb -0.37 -3.47 -0.05 0.00 -1.51 0.00 0.00 37.83 32.44 1sq5 s LYS 2188CO 0.32 0.06 0.26 0.99 -0.36 0.00 0.00 175.35 176.62 1sq5 s THR 2189N 0.90 5.28 -0.22 3.43 2.01 -1.26 -0.37 115.64 125.41 1sq5 s THR 2189Ca 0.29 0.36 -0.15 0.00 0.31 0.00 0.00 61.69 62.51 1sq5 s THR 2189Cb -0.16 -3.59 -0.04 0.00 0.01 0.00 0.00 72.50 68.72 1sq5 s THR 2189CO 0.12 0.26 0.37 -0.69 -0.69 0.00 0.00 174.62 174.00 1sq5 s VAL 2190N 1.49 5.21 -0.25 3.82 1.01 0.24 -4.94 120.40 126.99 1sq5 s VAL 2190Ca 0.11 0.64 -0.01 0.00 0.00 0.00 0.00 61.98 62.72 1sq5 s VAL 2190Cb -0.15 -3.70 0.03 0.00 0.00 0.00 0.00 36.38 32.56 1sq5 s VAL 2190CO 0.08 0.24 -0.07 0.68 0.00 0.00 0.00 175.10 176.04 1sq5 s VAL 2191N 1.40 2.81 -0.77 2.92 -7.23 -1.26 -1.20 120.40 117.08 1sq5 s VAL 2191Ca 0.17 -1.06 -0.16 0.00 -1.81 0.00 0.00 61.98 59.13 1sq5 s VAL 2191Cb -0.15 -2.44 0.02 0.00 0.56 0.00 0.00 36.38 34.38 1sq5 s VAL 2191CO 0.08 0.19 0.30 0.00 -0.31 0.00 0.00 175.10 175.36 1sq5 n GLN 2192N 4.65 -0.65 -2.12 4.82 6.02 -0.96 -4.89 117.38 124.25 1sq5 n GLN 2192Ca -0.16 -0.13 -0.33 0.00 -0.01 0.00 0.00 57.00 56.37 1sq5 n GLN 2192Cb 0.47 -1.31 0.00 0.00 1.02 0.00 0.00 30.24 30.42 1sq5 n GLN 2192CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1sq5 s PRO 2193N -6.25 3.40 0.08 -1.09 0.04 -1.26 -4.91 135.00 125.01 1sq5 s PRO 2193Ca 0.22 1.22 -0.03 0.00 0.04 0.00 0.00 61.00 62.45 1sq5 s PRO 2193Cb -0.12 -2.04 -0.27 0.00 0.04 0.00 0.00 34.50 32.11 1sq5 s PRO 2193CO 0.58 -0.75 1.17 -0.44 0.04 0.00 0.00 177.00 177.60 1sq5 h ASP 2194N 0.59 0.36 -3.72 6.66 3.32 -1.13 -3.37 116.42 119.13 1sq5 h ASP 2194Ca -0.47 -0.38 -0.30 0.00 0.02 0.00 0.00 57.03 55.89 1sq5 h ASP 2194Cb 1.22 -0.12 -0.30 0.00 0.22 0.00 0.00 39.33 40.35 1sq5 h ASP 2194CO 0.58 1.30 -0.74 -0.63 -1.72 0.00 0.00 179.24 178.02 1sq5 s ILE 2195N -2.67 0.21 -0.12 0.35 1.01 -0.63 -1.21 121.20 118.14 1sq5 s ILE 2195Ca -0.03 -0.06 0.02 0.00 0.00 0.00 0.00 60.65 60.58 1sq5 s ILE 2195Cb 0.08 -0.22 0.01 0.00 0.01 0.00 0.00 42.46 42.33 1sq5 s ILE 2195CO 0.87 0.09 -0.17 -0.22 0.00 0.00 0.00 174.94 175.51 1sq5 s LEU 2196N 0.29 1.84 -0.28 2.97 2.96 0.02 -0.48 118.68 126.00 1sq5 s LEU 2196Ca -0.03 -0.48 -0.10 0.00 -0.22 0.00 0.00 54.13 53.30 1sq5 s LEU 2196Cb -0.05 -1.20 -0.04 0.00 0.50 0.00 0.00 46.19 45.40 1sq5 s LEU 2196CO -0.01 0.03 0.16 -0.63 -1.32 0.00 0.00 176.35 174.59 1sq5 s ILE 2197N 0.94 5.04 -0.34 6.68 1.01 0.15 -0.44 121.20 134.24 1sq5 s ILE 2197Ca -0.07 0.05 -0.08 0.00 0.00 0.00 0.00 60.65 60.55 1sq5 s ILE 2197Cb -0.15 -3.41 0.03 0.00 0.01 0.00 0.00 42.46 38.94 1sq5 s ILE 2197CO -0.02 0.25 0.14 -0.22 0.00 0.00 0.00 174.94 175.09 1sq5 s LEU 2198N 1.72 4.39 -0.19 2.97 2.96 0.17 -0.69 118.68 130.00 1sq5 s LEU 2198Ca 0.07 -1.01 -0.05 0.00 -0.22 0.00 0.00 54.13 52.91 1sq5 s LEU 2198Cb -0.16 -1.93 -0.03 0.00 0.50 0.00 0.00 46.19 44.58 1sq5 s LEU 2198CO 0.09 -0.32 0.00 -0.70 -1.32 0.00 0.00 176.35 174.10 1sq5 s GLU 2199N 1.47 3.70 0.00 1.98 -6.30 0.26 -0.55 118.70 119.26 1sq5 s GLU 2199Ca 0.00 -0.49 0.00 0.00 -2.50 0.00 0.00 54.97 51.98 1sq5 s GLU 2199Cb -0.19 -3.06 0.00 0.00 0.00 0.00 0.00 34.13 30.88 1sq5 s GLU 2199CO 0.04 0.12 0.00 0.41 0.02 0.00 0.00 175.26 175.85 1sq5 n GLY 2200N 3.94 1.14 0.30 -1.50 0.00 -0.43 -0.95 105.19 107.69 1sq5 n GLY 2200Ca -0.17 -0.25 0.20 0.00 0.00 0.00 0.00 46.02 45.79 1sq5 n GLY 2200CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 1sq5 h LEU 2201N 0.00 0.00 -2.92 0.99 8.10 -1.80 -3.10 115.31 116.58 1sq5 h LEU 2201Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 1sq5 h LEU 2201Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.22 1sq5 h LEU 2201CO 0.00 0.00 0.00 -0.46 -4.11 0.00 0.00 178.44 173.87 1sq5 n ASN 2202N -3.03 3.45 0.16 0.17 6.94 -1.26 -4.34 115.26 117.35 1sq5 n ASN 2202Ca -0.01 -2.14 0.12 0.00 -0.02 0.00 0.00 54.58 52.53 1sq5 n ASN 2202Cb 0.18 -0.36 0.58 0.00 -2.36 0.00 0.00 39.78 37.82 1sq5 n ASN 2202CO 0.00 0.00 0.00 -0.37 -1.03 0.00 0.00 177.26 175.86 1sq5 h VAL 2203N 2.75 0.00 -0.02 3.53 -1.51 -1.86 -1.97 116.25 117.17 1sq5 h VAL 2203Ca 0.00 -0.10 0.00 0.00 -1.23 0.00 0.00 66.70 65.37 1sq5 h VAL 2203Cb 0.93 0.71 0.00 0.00 -2.13 0.00 0.00 31.29 30.80 1sq5 h VAL 2203CO 0.05 0.00 -0.30 0.18 -1.23 0.00 0.00 177.57 176.27 1sq5 n LEU 2204N -2.30 1.93 -4.74 4.19 4.77 -1.26 -4.03 117.00 115.56 1sq5 n LEU 2204Ca -0.00 -0.82 -0.29 0.00 -0.03 0.00 0.00 56.01 54.87 1sq5 n LEU 2204Cb 0.12 0.00 0.14 0.00 -2.33 0.00 0.00 43.42 41.35 1sq5 n LEU 2204CO 0.14 0.36 0.68 -1.10 -1.33 0.00 0.00 177.39 176.14 1sq5 s GLN 2205N -1.97 1.03 0.00 3.23 -0.21 -0.74 -4.93 119.66 116.07 1sq5 s GLN 2205Ca 0.16 0.50 0.00 0.00 0.02 0.00 0.00 55.36 56.04 1sq5 s GLN 2205Cb 0.15 -1.81 0.00 0.00 1.00 0.00 0.00 33.01 32.35 1sq5 s GLN 2205CO 0.41 -2.32 0.00 -1.13 -2.12 0.00 0.00 175.29 170.13 1sq5 n SER 2206N -3.89 0.00 -0.29 5.90 3.41 -1.26 -4.53 113.62 112.95 1sq5 n SER 2206Ca 0.06 -0.38 0.09 0.00 -0.26 0.00 0.00 58.87 58.38 1sq5 n SER 2206Cb 0.57 0.00 0.31 0.00 -0.26 0.00 0.00 64.21 64.83 1sq5 n SER 2206CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1sq5 h GLY 2207N 0.00 1.33 2.00 5.00 0.00 -1.94 -1.18 103.07 108.28 1sq5 h GLY 2207Ca 0.00 -0.36 -0.00 0.00 0.00 0.00 0.00 47.33 46.97 1sq5 h GLY 2207CO 0.00 0.16 -0.01 0.00 0.00 0.00 0.00 176.54 176.70 1sq5 h MET 2208N 0.85 0.00 -0.00 4.80 -0.00 -1.97 -0.01 114.93 118.60 1sq5 h MET 2208Ca 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 60.14 1sq5 h MET 2208Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.11 1sq5 h MET 2208CO -0.20 0.01 -0.20 -0.25 -0.00 0.00 0.00 176.91 176.27 1sq5 n ASP 2209N -3.35 0.42 -2.98 -0.10 8.00 -0.44 -4.13 116.55 113.97 1sq5 n ASP 2209Ca -0.03 -0.27 -0.22 0.00 0.71 0.00 0.00 54.79 54.97 1sq5 n ASP 2209Cb 0.09 -0.07 -0.03 0.00 -0.02 0.00 0.00 41.12 41.09 1sq5 n ASP 2209CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1sq5 n TYR 2210N -1.19 2.34 0.29 1.24 4.02 -0.02 -4.76 117.16 119.07 1sq5 n TYR 2210Ca 0.10 -3.78 0.14 0.00 -0.01 0.00 0.00 57.90 54.36 1sq5 n TYR 2210Cb 0.31 -0.42 0.89 0.00 -0.02 0.00 0.00 39.34 40.10 1sq5 n TYR 2210CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1sq5 h PRO 2211N 2.96 0.00 0.00 -0.72 0.13 -1.72 0.07 132.00 132.72 1sq5 h PRO 2211Ca 0.12 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.23 1sq5 h PRO 2211Cb 0.76 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.89 1sq5 h PRO 2211CO 0.68 0.00 -0.09 1.12 -0.23 0.00 0.00 178.00 179.47 1sq5 h HIS 2212N 0.00 0.00 -0.30 1.56 2.07 -1.92 -3.38 115.15 113.18 1sq5 h HIS 2212Ca 0.00 0.00 -0.18 0.00 -2.85 0.00 0.00 60.37 57.34 1sq5 h HIS 2212Cb 0.00 0.00 -0.15 0.00 2.57 0.00 0.00 27.41 29.84 1sq5 h HIS 2212CO 0.00 0.09 -0.45 -3.47 -3.07 0.00 0.00 177.93 171.03 1sq5 n ASP 2213N -3.18 -2.94 -4.77 3.10 4.64 -0.40 -5.16 116.55 107.83 1sq5 n ASP 2213Ca 0.01 -3.04 -0.41 0.00 -1.38 0.00 0.00 54.79 49.98 1sq5 n ASP 2213Cb 0.42 1.72 -0.01 0.00 -1.04 0.00 0.00 41.12 42.21 1sq5 n ASP 2213CO 0.00 0.00 0.00 -2.16 -0.82 0.00 0.00 177.20 174.22 1sq5 s PRO 2214N 0.72 4.22 0.10 -0.67 0.04 -0.12 -4.85 135.00 134.44 1sq5 s PRO 2214Ca 0.31 2.41 0.10 0.00 0.04 0.00 0.00 61.00 63.86 1sq5 s PRO 2214Cb 0.16 -3.02 -0.04 0.00 0.04 0.00 0.00 34.50 31.65 1sq5 s PRO 2214CO -0.18 -0.38 -0.26 -3.38 0.04 0.00 0.00 177.00 172.84 1sq5 s HIS 2215N -1.10 2.34 -1.41 0.56 -3.43 -1.26 -5.06 115.29 105.92 1sq5 s HIS 2215Ca 0.51 -0.38 0.15 0.00 -0.80 0.00 0.00 55.06 54.55 1sq5 s HIS 2215Cb -0.43 -1.30 -0.01 0.00 -1.43 0.00 0.00 32.58 29.41 1sq5 s HIS 2215CO 0.58 0.28 0.83 0.72 -2.00 0.00 0.00 174.74 175.15 1sq5 n HIS 2216N 1.17 0.00 -4.32 0.38 8.25 -1.26 -3.98 115.22 115.47 1sq5 n HIS 2216Ca -0.17 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.01 1sq5 n HIS 2216Cb 0.53 0.00 -0.17 0.00 1.12 0.00 0.00 29.99 31.47 1sq5 n HIS 2216CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1sq5 s VAL 2217N -1.84 1.34 0.44 1.59 1.01 -1.26 -5.03 120.40 116.65 1sq5 s VAL 2217Ca 0.13 -0.54 0.02 0.00 0.00 0.00 0.00 61.98 61.59 1sq5 s VAL 2217Cb 0.12 -1.25 0.00 0.00 0.00 0.00 0.00 36.38 35.25 1sq5 s VAL 2217CO 0.39 0.41 0.65 -0.36 0.00 0.00 0.00 175.10 176.19 1sq5 s PHE 2218N 1.13 3.14 0.20 5.22 2.99 -1.26 -4.98 117.98 124.42 1sq5 s PHE 2218Ca -0.04 0.10 -0.11 0.00 0.00 0.00 0.00 56.93 56.88 1sq5 s PHE 2218Cb -0.14 -2.32 0.24 0.00 0.00 0.00 0.00 43.02 40.80 1sq5 s PHE 2218CO -0.03 -0.37 1.75 0.28 -0.00 0.00 0.00 175.22 176.85 1sq5 h VAL 2219N 0.44 0.81 -0.21 -0.44 2.07 -1.85 -0.54 116.25 116.54 1sq5 h VAL 2219Ca -0.45 -0.14 0.06 0.00 0.82 0.00 0.00 66.70 66.98 1sq5 h VAL 2219Cb 1.26 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 1sq5 h VAL 2219CO 0.55 0.08 0.20 0.77 0.02 0.00 0.00 177.57 179.19 1sq5 h SER 2220N 0.42 0.00 0.49 0.57 4.64 -1.85 0.87 113.55 118.68 1sq5 h SER 2220Ca 0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 1sq5 h SER 2220Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 1sq5 h SER 2220CO -0.27 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.16 1sq5 n ASP 2221N -3.95 0.06 -0.09 4.97 8.00 -0.21 -2.11 116.55 123.22 1sq5 n ASP 2221Ca 0.02 0.52 0.06 0.00 0.71 0.00 0.00 54.79 56.10 1sq5 n ASP 2221Cb 0.33 -0.53 0.09 0.00 -0.02 0.00 0.00 41.12 40.99 1sq5 n ASP 2221CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1sq5 n PHE 2222N -1.57 0.00 -4.93 1.24 3.01 0.29 -5.01 117.46 110.49 1sq5 n PHE 2222Ca 0.03 -0.76 -0.33 0.00 1.01 0.00 0.00 57.45 57.40 1sq5 n PHE 2222Cb 0.17 -0.11 -0.15 0.00 -0.01 0.00 0.00 39.48 39.37 1sq5 n PHE 2222CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1sq5 s VAL 2223N -2.10 2.74 -0.03 -4.37 1.01 -0.90 -4.78 120.40 111.98 1sq5 s VAL 2223Ca 0.21 -0.79 -0.19 0.00 0.00 0.00 0.00 61.98 61.21 1sq5 s VAL 2223Cb 0.18 -2.11 -0.32 0.00 0.00 0.00 0.00 36.38 34.13 1sq5 s VAL 2223CO 0.02 0.54 0.89 0.44 0.00 0.00 0.00 175.10 176.99 1sq5 h ASP 2224N 6.52 0.58 -3.60 3.32 5.19 -1.46 -3.47 116.42 123.50 1sq5 h ASP 2224Ca -0.26 -0.94 -0.33 0.00 -0.62 0.00 0.00 57.03 54.88 1sq5 h ASP 2224Cb 1.21 -0.19 -0.32 0.00 0.18 0.00 0.00 39.33 40.21 1sq5 h ASP 2224CO 0.52 1.52 -0.75 0.12 -3.12 0.00 0.00 179.24 177.54 1sq5 s PHE 2225N -2.49 0.36 -0.02 4.55 5.36 -1.02 -5.05 117.98 119.67 1sq5 s PHE 2225Ca -0.13 -0.04 0.07 0.00 -0.96 0.00 0.00 56.93 55.87 1sq5 s PHE 2225Cb 0.02 -0.37 -0.02 0.00 -0.34 0.00 0.00 43.02 42.32 1sq5 s PHE 2225CO 0.86 -0.10 -0.23 -1.54 -1.46 0.00 0.00 175.22 172.76 1sq5 s SER 2226N 0.67 2.67 -0.06 6.13 1.04 -1.26 -1.24 113.70 121.65 1sq5 s SER 2226Ca -0.07 -0.42 0.05 0.00 0.48 0.00 0.00 55.95 56.00 1sq5 s SER 2226Cb -0.10 -0.37 -0.01 0.00 0.10 0.00 0.00 66.02 65.64 1sq5 s SER 2226CO -0.01 0.27 -0.23 -0.63 0.98 0.00 0.00 173.24 173.62 1sq5 s ILE 2227N -0.46 1.91 -0.25 -1.02 1.01 -0.20 -0.12 121.20 122.08 1sq5 s ILE 2227Ca 0.07 -0.98 -0.02 0.00 0.00 0.00 0.00 60.65 59.72 1sq5 s ILE 2227Cb -0.09 -1.63 0.02 0.00 0.01 0.00 0.00 42.46 40.77 1sq5 s ILE 2227CO -0.00 0.53 -0.06 -0.47 0.00 0.00 0.00 174.94 174.94 1sq5 s TYR 2228N -0.02 3.05 -0.16 3.97 5.04 0.36 0.06 117.35 129.66 1sq5 s TYR 2228Ca -0.07 -1.48 -0.25 0.00 -2.44 0.00 0.00 57.07 52.83 1sq5 s TYR 2228Cb -0.14 -2.07 -0.02 0.00 0.35 0.00 0.00 41.96 40.09 1sq5 s TYR 2228CO 0.04 -0.71 0.82 0.08 -1.34 0.00 0.00 175.55 174.44 1sq5 s VAL 2229N 1.34 4.90 0.08 3.14 1.01 0.10 -1.02 120.40 129.94 1sq5 s VAL 2229Ca 0.01 1.62 0.10 0.00 0.00 0.00 0.00 61.98 63.71 1sq5 s VAL 2229Cb -0.16 -4.13 -0.03 0.00 0.00 0.00 0.00 36.38 32.05 1sq5 s VAL 2229CO -0.04 0.05 -0.27 -0.62 0.00 0.00 0.00 175.10 174.22 1sq5 s ASP 2230N 1.12 3.21 -0.01 3.32 2.15 0.18 -4.26 116.67 122.38 1sq5 s ASP 2230Ca 0.38 -0.65 -0.28 0.00 0.43 0.00 0.00 52.55 52.43 1sq5 s ASP 2230Cb -0.17 -0.26 0.09 0.00 -0.30 0.00 0.00 42.92 42.28 1sq5 s ASP 2230CO 0.13 0.23 0.77 0.00 -0.17 0.00 0.00 175.17 176.13 1sq5 s ALA 2231N -0.90 -1.77 0.68 3.66 0.00 -1.26 0.25 121.76 122.40 1sq5 s ALA 2231Ca 0.12 1.10 -0.16 0.00 0.00 0.00 0.00 51.96 53.02 1sq5 s ALA 2231Cb -0.10 0.17 0.01 0.00 0.00 0.00 0.00 23.12 23.20 1sq5 s ALA 2231CO 0.04 -0.53 1.18 -2.14 0.00 0.00 0.00 175.76 174.31 1sq5 s PRO 2232N -2.25 2.53 0.29 0.00 0.02 -1.26 -4.83 135.00 129.49 1sq5 s PRO 2232Ca -0.02 1.69 -0.02 0.00 0.02 0.00 0.00 61.00 62.66 1sq5 s PRO 2232Cb -0.01 -1.89 0.44 0.00 0.02 0.00 0.00 34.50 33.07 1sq5 s PRO 2232CO -0.02 -1.52 1.93 1.49 -0.33 0.00 0.00 177.00 178.55 1sq5 h GLU 2233N 0.11 1.11 -0.40 5.54 4.22 -2.01 -1.61 114.58 121.53 1sq5 h GLU 2233Ca -0.48 -0.07 -0.05 0.00 0.08 0.00 0.00 59.36 58.84 1sq5 h GLU 2233Cb 1.28 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 30.26 1sq5 h GLU 2233CO 0.52 0.73 0.03 0.38 -2.18 0.00 0.00 179.01 178.50 1sq5 h ASP 2234N 1.14 0.59 0.24 1.04 2.03 -2.00 -1.24 116.42 118.22 1sq5 h ASP 2234Ca 0.36 -0.11 -0.27 0.00 -0.73 0.00 0.00 57.03 56.28 1sq5 h ASP 2234Cb 0.03 -0.15 0.02 0.00 -0.83 0.00 0.00 39.33 38.39 1sq5 h ASP 2234CO -0.11 0.64 -1.14 -0.07 -1.03 0.00 0.00 179.24 177.53 1sq5 h LEU 2235N 0.60 0.73 -0.79 0.15 3.38 -1.81 -3.04 115.31 114.53 1sq5 h LEU 2235Ca 0.13 -0.65 -0.01 0.00 0.09 0.00 0.00 57.88 57.44 1sq5 h LEU 2235Cb 0.33 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 1sq5 h LEU 2235CO 0.01 1.46 0.47 -0.07 0.09 0.00 0.00 178.44 180.40 1sq5 h LEU 2236N 0.25 0.96 -0.15 1.67 3.38 -1.06 -1.01 115.31 119.35 1sq5 h LEU 2236Ca -0.14 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.75 1sq5 h LEU 2236Cb 1.80 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 42.31 1sq5 h LEU 2236CO 0.21 0.75 0.09 -0.61 0.09 0.00 0.00 178.44 178.97 1sq5 h GLN 2237N 1.08 0.21 -0.25 1.13 4.15 -1.28 0.42 115.11 120.57 1sq5 h GLN 2237Ca 0.28 -0.02 0.01 0.00 0.77 0.00 0.00 58.65 59.69 1sq5 h GLN 2237Cb -0.02 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.61 1sq5 h GLN 2237CO -0.05 0.21 0.14 1.15 -1.93 0.00 0.00 178.83 178.34 1sq5 h THR 2238N 0.16 1.01 -0.80 2.39 2.02 -1.37 -0.44 112.91 115.89 1sq5 h THR 2238Ca 0.05 -0.10 -0.04 0.00 0.77 0.00 0.00 66.41 67.09 1sq5 h THR 2238Cb 0.05 0.70 -0.04 0.00 -1.74 0.00 0.00 68.15 67.13 1sq5 h THR 2238CO -0.01 0.05 0.33 -0.50 0.37 0.00 0.00 175.52 175.76 1sq5 h TRP 2239N 0.29 1.20 0.11 3.16 6.55 -1.02 -0.33 115.95 125.92 1sq5 h TRP 2239Ca 0.10 -0.08 -0.01 0.00 0.95 0.00 0.00 58.89 59.85 1sq5 h TRP 2239Cb 0.01 -0.36 0.00 0.00 -0.86 0.00 0.00 29.16 27.95 1sq5 h TRP 2239CO -0.08 0.90 -0.05 -0.92 -1.05 0.00 0.00 178.44 177.23 1sq5 h TYR 2240N 1.16 -0.14 -0.05 0.49 3.20 -0.56 -1.33 116.97 119.74 1sq5 h TYR 2240Ca 0.27 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.14 1sq5 h TYR 2240Cb 0.20 0.05 -0.00 0.00 1.54 0.00 0.00 36.73 38.51 1sq5 h TYR 2240CO 0.02 0.01 0.03 0.82 -1.64 0.00 0.00 178.16 177.40 1sq5 h ILE 2241N -0.27 1.03 -0.41 1.81 2.04 -0.91 -0.10 117.51 120.70 1sq5 h ILE 2241Ca -0.02 -0.08 -0.00 0.00 1.00 0.00 0.00 64.86 65.76 1sq5 h ILE 2241Cb 0.22 0.99 -0.02 0.00 -0.74 0.00 0.00 36.82 37.26 1sq5 h ILE 2241CO 0.03 0.03 0.24 0.78 0.00 0.00 0.00 178.15 179.22 1sq5 h ASN 2242N 0.05 0.48 -0.18 1.72 2.35 -1.03 0.80 115.58 119.78 1sq5 h ASN 2242Ca 0.02 -0.02 -0.16 0.00 -0.55 0.00 0.00 56.30 55.59 1sq5 h ASN 2242Cb 0.02 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.26 1sq5 h ASN 2242CO -0.00 0.38 -0.46 -0.09 -1.65 0.00 0.00 177.43 175.61 1sq5 h ARG 2243N 0.56 0.74 0.02 0.81 2.43 -0.85 -2.38 114.38 115.70 1sq5 h ARG 2243Ca 0.15 -0.41 0.00 0.00 -0.81 0.00 0.00 59.98 58.90 1sq5 h ARG 2243Cb -0.01 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.57 1sq5 h ARG 2243CO -0.03 1.04 -0.02 0.35 -1.51 0.00 0.00 179.97 179.80 1sq5 h PHE 2244N 0.59 -0.05 -0.62 2.20 3.57 0.35 -1.59 116.94 121.38 1sq5 h PHE 2244Ca 0.04 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.59 1sq5 h PHE 2244Cb 1.02 0.02 -0.05 0.00 2.79 0.00 0.00 35.95 39.72 1sq5 h PHE 2244CO 0.05 -0.03 0.34 -0.07 -2.23 0.00 0.00 178.31 176.37 1sq5 h LEU 2245N -0.04 0.49 -0.96 0.59 3.38 -0.81 0.75 115.31 118.70 1sq5 h LEU 2245Ca 0.00 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 1sq5 h LEU 2245Cb 0.05 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 1sq5 h LEU 2245CO -0.01 0.32 0.31 0.11 0.09 0.00 0.00 178.44 179.26 1sq5 h LYS 2246N 0.63 1.05 -0.46 1.13 1.57 -1.21 -1.14 116.57 118.13 1sq5 h LYS 2246Ca 0.28 -0.17 -0.07 0.00 -1.87 0.00 0.00 60.65 58.82 1sq5 h LYS 2246Cb 0.18 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 1sq5 h LYS 2246CO -0.18 0.84 -0.01 0.74 -0.57 0.00 0.00 179.45 180.28 1sq5 h PHE 2247N 1.04 0.80 -0.07 -1.35 0.05 -0.21 -1.81 116.94 115.39 1sq5 h PHE 2247Ca 0.25 -0.11 -0.01 0.00 3.82 0.00 0.00 57.97 61.91 1sq5 h PHE 2247Cb 0.17 -0.22 -0.00 0.00 2.00 0.00 0.00 35.95 37.89 1sq5 h PHE 2247CO 0.02 0.75 -0.01 -0.09 -0.18 0.00 0.00 178.31 178.80 1sq5 h ARG 2248N 0.71 0.13 -0.54 1.51 2.43 -0.12 -3.08 114.38 115.41 1sq5 h ARG 2248Ca 0.14 -0.05 0.10 0.00 -0.81 0.00 0.00 59.98 59.36 1sq5 h ARG 2248Cb 0.44 -0.01 -0.08 0.00 -0.42 0.00 0.00 29.97 29.91 1sq5 h ARG 2248CO 0.02 0.43 0.12 0.93 -1.51 0.00 0.00 179.97 179.96 1sq5 h GLU 2249N -0.19 0.25 0.00 0.20 5.08 -1.11 -0.63 114.58 118.19 1sq5 h GLU 2249Ca 0.02 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1sq5 h GLU 2249Cb 0.38 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1sq5 h GLU 2249CO 0.01 0.16 0.00 0.41 -1.00 0.00 0.00 179.01 178.59 1sq5 n GLY 2250N -1.30 -0.74 0.65 -3.84 0.00 -0.69 -2.25 105.19 97.01 1sq5 n GLY 2250Ca 0.07 -0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.15 1sq5 n GLY 2250CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sq5 n ALA 2251N -1.53 2.31 -0.32 4.61 0.00 -0.25 -4.67 120.51 120.65 1sq5 n ALA 2251Ca 0.01 -0.95 0.11 0.00 0.00 0.00 0.00 53.44 52.62 1sq5 n ALA 2251Cb 0.07 -0.47 0.29 0.00 0.00 0.00 0.00 19.45 19.34 1sq5 n ALA 2251CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1sq5 h PHE 2252N 2.40 0.88 -0.20 0.00 0.05 -1.36 -2.41 116.94 116.30 1sq5 h PHE 2252Ca 0.00 0.04 -0.01 0.00 3.82 0.00 0.00 57.97 61.81 1sq5 h PHE 2252Cb 0.68 -0.25 -0.01 0.00 2.00 0.00 0.00 35.95 38.37 1sq5 h PHE 2252CO 0.16 0.14 -0.01 0.25 -0.18 0.00 0.00 178.31 178.68 1sq5 n THR 2253N -4.87 2.21 -3.80 -1.55 -2.24 -1.26 -4.87 114.28 97.90 1sq5 n THR 2253Ca 0.21 -2.05 -0.29 0.00 -2.27 0.00 0.00 64.05 59.65 1sq5 n THR 2253Cb 0.56 -0.26 -0.13 0.00 -2.10 0.00 0.00 70.33 68.40 1sq5 n THR 2253CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1sq5 s ASP 2254N -2.23 3.92 0.00 3.42 2.15 -0.91 -4.95 116.67 118.07 1sq5 s ASP 2254Ca 0.40 -3.04 0.07 0.00 0.43 0.00 0.00 52.55 50.41 1sq5 s ASP 2254Cb 0.33 -1.29 0.33 0.00 -0.30 0.00 0.00 42.92 41.99 1sq5 s ASP 2254CO 0.07 -0.21 1.18 -2.65 -0.17 0.00 0.00 175.17 173.39 1sq5 n PRO 2255N 3.02 0.04 0.00 4.34 -0.02 -1.26 -0.86 135.00 140.26 1sq5 n PRO 2255Ca 0.12 0.32 0.14 0.00 -2.02 0.00 0.00 63.50 62.05 1sq5 n PRO 2255Cb 0.35 -1.50 0.56 0.00 -0.02 0.00 0.00 33.50 32.89 1sq5 n PRO 2255CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1sq5 n ASP 2256N -1.42 0.53 -4.86 2.55 8.00 -1.26 -4.84 116.55 115.24 1sq5 n ASP 2256Ca 0.02 -0.55 -0.36 0.00 0.71 0.00 0.00 54.79 54.61 1sq5 n ASP 2256Cb 0.07 -0.05 -0.06 0.00 -0.02 0.00 0.00 41.12 41.07 1sq5 n ASP 2256CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1sq5 s SER 2257N -2.53 6.70 0.28 -2.24 0.15 -0.04 -4.79 113.70 111.22 1sq5 s SER 2257Ca 0.27 0.85 0.00 0.00 0.70 0.00 0.00 55.95 57.77 1sq5 s SER 2257Cb 0.20 -2.20 0.39 0.00 -1.71 0.00 0.00 66.02 62.70 1sq5 s SER 2257CO 0.49 0.23 1.75 0.22 1.20 0.00 0.00 173.24 177.13 1sq5 h TYR 2258N 4.09 0.68 0.00 3.44 3.20 -1.57 -2.78 116.97 124.02 1sq5 h TYR 2258Ca -0.50 -0.11 0.00 0.00 3.14 0.00 0.00 58.73 61.25 1sq5 h TYR 2258Cb 1.20 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 39.29 1sq5 h TYR 2258CO 0.68 0.72 0.00 1.19 -1.64 0.00 0.00 178.16 179.11 1sq5 n PHE 2259N -4.18 0.00 0.20 -3.82 3.01 -1.26 -2.83 117.46 108.57 1sq5 n PHE 2259Ca 0.01 0.00 0.06 0.00 1.01 0.00 0.00 57.45 58.52 1sq5 n PHE 2259Cb 0.35 -0.10 0.39 0.00 -0.01 0.00 0.00 39.48 40.11 1sq5 n PHE 2259CO 0.00 0.00 0.00 1.25 1.01 0.00 0.00 176.76 179.02 1sq5 h HIS 2260N 0.00 0.00 -0.34 1.38 2.76 -1.70 -2.41 115.15 114.84 1sq5 h HIS 2260Ca 0.00 0.00 0.06 0.00 -2.20 0.00 0.00 60.37 58.23 1sq5 h HIS 2260Cb 0.07 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.01 1sq5 h HIS 2260CO 0.00 0.35 0.23 -0.91 -1.30 0.00 0.00 177.93 176.30 1sq5 h ASN 2261N 0.00 0.17 0.89 3.26 2.35 -1.74 -1.17 115.58 119.34 1sq5 h ASN 2261Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1sq5 h ASN 2261Cb 0.76 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 39.10 1sq5 h ASN 2261CO 0.05 0.11 -0.19 -1.22 -1.65 0.00 0.00 177.43 174.53 1sq5 n TYR 2262N -4.47 0.12 0.16 1.19 0.53 -0.91 -3.59 117.16 110.18 1sq5 n TYR 2262Ca 0.04 0.03 0.00 0.00 -1.02 0.00 0.00 57.90 56.96 1sq5 n TYR 2262Cb 0.28 -0.48 0.26 0.00 -1.03 0.00 0.00 39.34 38.37 1sq5 n TYR 2262CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 1sq5 h ALA 2263N 2.93 1.17 0.00 -0.72 0.00 -1.26 -2.49 119.26 118.89 1sq5 h ALA 2263Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1sq5 h ALA 2263Cb 0.54 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1sq5 h ALA 2263CO 0.00 0.62 0.00 0.87 0.00 0.00 0.00 179.25 180.74 1sq5 h LYS 2264N 0.02 0.00 -6.16 0.00 1.57 -1.66 -3.43 116.57 106.91 1sq5 h LYS 2264Ca -0.00 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 58.20 1sq5 h LYS 2264Cb 0.88 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.15 1sq5 h LYS 2264CO 0.06 0.00 -0.31 -0.51 -0.57 0.00 0.00 179.45 178.12 1sq5 s LEU 2265N -4.71 4.27 0.83 2.94 1.43 -0.94 -5.08 118.68 117.42 1sq5 s LEU 2265Ca 0.00 0.59 -0.11 0.00 -1.03 0.00 0.00 54.13 53.59 1sq5 s LEU 2265Cb 0.08 -3.29 0.09 0.00 0.03 0.00 0.00 46.19 43.10 1sq5 s LEU 2265CO 0.31 0.06 1.10 0.42 0.23 0.00 0.00 176.35 178.47 1sq5 s THR 2266N -1.64 2.97 0.21 5.49 -4.23 -1.26 -4.76 115.64 112.41 1sq5 s THR 2266Ca 0.41 0.31 -0.09 0.00 -1.18 0.00 0.00 61.69 61.14 1sq5 s THR 2266Cb -0.12 -2.73 0.15 0.00 1.34 0.00 0.00 72.50 71.13 1sq5 s THR 2266CO 0.24 -0.41 1.82 0.50 -0.54 0.00 0.00 174.62 176.23 1sq5 h LYS 2267N -1.37 0.72 -0.06 3.99 3.64 -1.94 -0.42 116.57 121.13 1sq5 h LYS 2267Ca -0.45 -0.04 0.03 0.00 -1.27 0.00 0.00 60.65 58.92 1sq5 h LYS 2267Cb 1.25 -0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 32.87 1sq5 h LYS 2267CO 0.51 0.48 -0.16 0.93 -2.27 0.00 0.00 179.45 178.94 1sq5 h GLU 2268N 0.74 -0.22 0.00 1.90 5.08 -2.00 -0.80 114.58 119.28 1sq5 h GLU 2268Ca 0.30 0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.57 1sq5 h GLU 2268Cb 0.14 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1sq5 h GLU 2268CO -0.16 -0.15 -0.48 1.49 -1.00 0.00 0.00 179.01 178.72 1sq5 h GLU 2269N -0.23 0.00 -0.30 2.33 4.81 -1.84 -2.47 114.58 116.87 1sq5 h GLU 2269Ca 0.07 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.22 1sq5 h GLU 2269Cb 0.33 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.69 1sq5 h GLU 2269CO -0.20 0.48 -0.17 0.00 -0.73 0.00 0.00 179.01 178.39 1sq5 h ALA 2270N 1.52 1.14 -0.24 2.92 0.00 -0.53 0.14 119.26 124.22 1sq5 h ALA 2270Ca -0.00 -0.31 -0.11 0.00 0.00 0.00 0.00 54.91 54.49 1sq5 h ALA 2270Cb 0.85 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 1sq5 h ALA 2270CO 0.06 0.54 -0.28 0.82 0.00 0.00 0.00 179.25 180.39 1sq5 h ILE 2271N 0.49 1.32 -0.61 0.00 2.04 -0.90 -1.21 117.51 118.64 1sq5 h ILE 2271Ca 0.08 -1.45 -0.07 0.00 1.00 0.00 0.00 64.86 64.42 1sq5 h ILE 2271Cb 0.58 1.69 -0.03 0.00 -0.74 0.00 0.00 36.82 38.32 1sq5 h ILE 2271CO 0.04 0.46 0.12 0.11 0.00 0.00 0.00 178.15 178.87 1sq5 h LYS 2272N 0.32 0.97 -0.28 2.37 1.57 -1.08 0.32 116.57 120.76 1sq5 h LYS 2272Ca 0.03 -0.23 -0.01 0.00 -1.87 0.00 0.00 60.65 58.58 1sq5 h LYS 2272Cb 0.84 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.01 1sq5 h LYS 2272CO 0.07 0.88 0.15 1.15 -0.57 0.00 0.00 179.45 181.13 1sq5 h THR 2273N 0.92 1.13 -0.69 -0.16 2.02 -0.61 -1.44 112.91 114.07 1sq5 h THR 2273Ca 0.19 -0.34 -0.02 0.00 0.77 0.00 0.00 66.41 67.01 1sq5 h THR 2273Cb 0.37 0.85 -0.03 0.00 -1.74 0.00 0.00 68.15 67.60 1sq5 h THR 2273CO 0.01 0.13 0.34 0.00 0.37 0.00 0.00 175.52 176.36 1sq5 h ALA 2274N 1.02 0.89 -0.36 6.16 0.00 -0.86 -1.44 119.26 124.68 1sq5 h ALA 2274Ca 0.10 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.90 1sq5 h ALA 2274Cb 0.07 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1sq5 h ALA 2274CO -0.02 0.45 0.24 1.98 0.00 0.00 0.00 179.25 181.91 1sq5 h MET 2275N 0.96 0.34 0.12 0.00 -1.53 -0.62 -0.27 114.93 113.93 1sq5 h MET 2275Ca 0.24 -0.02 -0.27 0.00 -3.44 0.00 0.00 59.70 56.20 1sq5 h MET 2275Cb 0.11 -0.08 0.01 0.00 -0.55 0.00 0.00 31.60 31.09 1sq5 h MET 2275CO -0.03 0.22 -1.21 1.15 0.14 0.00 0.00 176.91 177.18 1sq5 h THR 2276N 0.35 1.43 -0.70 -0.77 2.02 -0.49 -1.39 112.91 113.36 1sq5 h THR 2276Ca 0.15 -2.83 -0.04 0.00 0.77 0.00 0.00 66.41 64.46 1sq5 h THR 2276Cb 0.16 2.82 -0.03 0.00 -1.74 0.00 0.00 68.15 69.37 1sq5 h THR 2276CO -0.03 0.83 0.29 -0.07 0.37 0.00 0.00 175.52 176.91 1sq5 h LEU 2277N 0.14 0.94 0.64 2.58 3.38 -0.57 -0.98 115.31 121.44 1sq5 h LEU 2277Ca -0.14 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.66 1sq5 h LEU 2277Cb 1.91 -0.24 0.01 0.00 0.09 0.00 0.00 40.66 42.42 1sq5 h LEU 2277CO 0.21 0.83 -0.31 -0.25 0.09 0.00 0.00 178.44 179.02 1sq5 h TRP 2278N 1.01 -0.79 -0.11 1.13 2.91 -1.00 -2.29 115.95 116.81 1sq5 h TRP 2278Ca 0.24 -0.02 -0.00 0.00 1.13 0.00 0.00 58.89 60.23 1sq5 h TRP 2278Cb 0.18 0.26 -0.01 0.00 -0.51 0.00 0.00 29.16 29.09 1sq5 h TRP 2278CO 0.02 -0.46 0.05 0.87 -1.03 0.00 0.00 178.44 177.88 1sq5 h LYS 2279N -1.16 0.16 0.00 2.65 1.57 -1.21 0.48 116.57 119.07 1sq5 h LYS 2279Ca -0.09 -0.02 -0.08 0.00 -1.87 0.00 0.00 60.65 58.59 1sq5 h LYS 2279Cb 0.69 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.96 1sq5 h LYS 2279CO 0.14 0.24 -0.37 0.93 -0.57 0.00 0.00 179.45 179.82 1sq5 h GLU 2280N 0.05 0.00 0.00 3.15 5.08 -1.31 -3.28 114.58 118.27 1sq5 h GLU 2280Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1sq5 h GLU 2280Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1sq5 h GLU 2280CO -0.00 0.37 -0.11 -0.89 -1.00 0.00 0.00 179.01 177.38 1sq5 n ILE 2281N -3.22 0.50 -0.18 3.13 5.41 -0.89 -4.61 119.36 119.51 1sq5 n ILE 2281Ca 0.02 0.21 -0.09 0.00 1.00 0.00 0.00 62.75 63.89 1sq5 n ILE 2281Cb 0.66 -1.39 0.01 0.00 -0.71 0.00 0.00 39.64 38.21 1sq5 n ILE 2281CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 176.55 177.33 1sq5 h ASN 2282N -0.11 0.84 -0.21 4.38 2.35 -1.17 -1.46 115.58 120.20 1sq5 h ASN 2282Ca 0.00 -0.28 -0.15 0.00 -0.55 0.00 0.00 56.30 55.32 1sq5 h ASN 2282Cb 0.11 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.24 1sq5 h ASN 2282CO 0.00 0.92 -0.41 -0.25 -1.65 0.00 0.00 177.43 176.04 1sq5 h TRP 2283N 0.74 0.91 -0.70 1.19 7.01 -0.21 -0.73 115.95 124.16 1sq5 h TRP 2283Ca 0.15 -0.27 -0.05 0.00 2.11 0.00 0.00 58.89 60.82 1sq5 h TRP 2283Cb 0.46 -0.19 -0.03 0.00 -2.10 0.00 0.00 29.16 27.30 1sq5 h TRP 2283CO 0.03 1.04 0.22 1.25 -2.79 0.00 0.00 178.44 178.19 1sq5 h LEU 2284N 0.62 1.01 -0.86 0.65 5.85 -1.60 -1.44 115.31 119.54 1sq5 h LEU 2284Ca 0.05 -0.21 -0.06 0.00 0.84 0.00 0.00 57.88 58.51 1sq5 h LEU 2284Cb 0.96 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.69 1sq5 h LEU 2284CO 0.09 0.95 0.21 -1.13 -0.34 0.00 0.00 178.44 178.21 1sq5 h ASN 2285N 1.02 0.98 0.03 1.25 -1.24 -1.03 -0.98 115.58 115.61 1sq5 h ASN 2285Ca 0.22 -0.18 -0.00 0.00 0.71 0.00 0.00 56.30 57.06 1sq5 h ASN 2285Cb 0.30 -0.26 0.00 0.00 0.73 0.00 0.00 38.32 39.09 1sq5 h ASN 2285CO -0.01 0.92 -0.02 0.25 -1.29 0.00 0.00 177.43 177.28 1sq5 h LEU 2286N 1.01 -0.04 -0.34 0.34 5.85 -0.48 0.28 115.31 121.93 1sq5 h LEU 2286Ca 0.22 -0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.84 1sq5 h LEU 2286Cb 0.29 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 1sq5 h LEU 2286CO -0.01 0.03 0.02 0.11 -0.34 0.00 0.00 178.44 178.26 1sq5 h LYS 2287N -0.10 0.58 0.04 1.25 1.57 -1.06 0.28 116.57 119.13 1sq5 h LYS 2287Ca -0.00 -0.17 -0.25 0.00 -1.87 0.00 0.00 60.65 58.35 1sq5 h LYS 2287Cb 0.09 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 1sq5 h LYS 2287CO 0.01 0.69 -1.25 1.96 -0.57 0.00 0.00 179.45 180.28 1sq5 h GLN 2288N 0.40 0.09 0.00 3.15 4.20 -1.19 -3.42 115.11 118.34 1sq5 h GLN 2288Ca 0.10 -0.16 0.00 0.00 0.06 0.00 0.00 58.65 58.65 1sq5 h GLN 2288Cb 0.41 0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.25 1sq5 h GLN 2288CO 0.01 0.98 -0.75 0.09 -0.67 0.00 0.00 178.83 178.50 1sq5 n ASN 2289N -3.35 3.73 -0.08 1.46 3.02 0.03 -4.86 115.26 115.20 1sq5 n ASN 2289Ca -0.07 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.38 1sq5 n ASN 2289Cb 0.99 0.38 -0.04 0.00 -0.61 0.00 0.00 39.78 40.50 1sq5 n ASN 2289CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1sq5 n ILE 2290N -1.61 1.45 -0.28 2.41 5.41 -0.84 -4.45 119.36 121.46 1sq5 n ILE 2290Ca 0.00 0.14 0.13 0.00 1.00 0.00 0.00 62.75 64.02 1sq5 n ILE 2290Cb 0.36 -2.29 0.39 0.00 -0.71 0.00 0.00 39.64 37.39 1sq5 n ILE 2290CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 176.55 176.80 1sq5 h LEU 2291N -1.00 0.63 -2.31 1.39 5.85 -0.72 -1.57 115.31 117.58 1sq5 h LEU 2291Ca -0.10 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.66 1sq5 h LEU 2291Cb 0.76 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.71 1sq5 h LEU 2291CO -0.06 0.30 0.00 -0.65 -0.34 0.00 0.00 178.44 177.69 1sq5 h PRO 2292N 0.66 0.00 -0.01 5.25 0.11 -1.79 -2.08 132.00 134.15 1sq5 h PRO 2292Ca 0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.58 1sq5 h PRO 2292Cb 0.81 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.92 1sq5 h PRO 2292CO -0.22 0.00 -0.20 0.25 -0.21 0.00 0.00 178.00 177.62 1sq5 n THR 2293N -2.97 0.00 -0.26 -1.15 -2.24 -0.59 -4.42 114.28 102.64 1sq5 n THR 2293Ca -0.02 -0.12 0.05 0.00 -2.27 0.00 0.00 64.05 61.69 1sq5 n THR 2293Cb 0.14 0.29 0.19 0.00 -2.10 0.00 0.00 70.33 68.85 1sq5 n THR 2293CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1sq5 h ARG 2294N 1.14 0.48 0.00 -0.78 2.43 -1.46 -1.46 114.38 114.73 1sq5 h ARG 2294Ca 0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1sq5 h ARG 2294Cb 0.47 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 1sq5 h ARG 2294CO 0.00 0.32 0.00 0.39 -1.51 0.00 0.00 179.97 179.17 1sq5 n GLU 2295N -4.96 0.62 0.00 0.20 4.71 -1.26 -2.10 120.64 117.85 1sq5 n GLU 2295Ca 0.14 0.00 0.12 0.00 -0.01 0.00 0.00 57.16 57.41 1sq5 n GLU 2295Cb 0.40 -1.34 0.19 0.00 -1.01 0.00 0.00 31.44 29.67 1sq5 n GLU 2295CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 1sq5 n ARG 2296N -0.84 0.90 -2.70 3.49 1.74 -0.55 -4.95 116.66 113.75 1sq5 n ARG 2296Ca 0.10 -0.65 -0.33 0.00 -0.77 0.00 0.00 57.85 56.20 1sq5 n ARG 2296Cb 0.05 -1.49 -0.06 0.00 -1.02 0.00 0.00 32.46 29.94 1sq5 n ARG 2296CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1sq5 s ALA 2297N -2.55 2.99 0.18 7.54 0.00 -0.89 -4.96 121.76 124.07 1sq5 s ALA 2297Ca 0.20 0.44 -0.04 0.00 0.00 0.00 0.00 51.96 52.56 1sq5 s ALA 2297Cb 0.18 -3.18 0.06 0.00 0.00 0.00 0.00 23.12 20.19 1sq5 s ALA 2297CO 0.57 -0.04 1.46 0.77 0.00 0.00 0.00 175.76 178.53 1sq5 h SER 2298N 1.71 0.63 -3.66 0.00 0.02 -0.86 -3.45 113.55 107.93 1sq5 h SER 2298Ca -0.49 -0.36 -0.23 0.00 -0.84 0.00 0.00 61.79 59.87 1sq5 h SER 2298Cb 1.19 -0.18 -0.29 0.00 0.14 0.00 0.00 62.40 63.26 1sq5 h SER 2298CO 0.60 1.09 -0.62 -0.22 -1.14 0.00 0.00 176.83 176.54 1sq5 s LEU 2299N -8.26 1.38 -0.22 5.07 0.20 -0.25 -0.92 118.68 115.68 1sq5 s LEU 2299Ca -0.07 0.19 -0.04 0.00 0.69 0.00 0.00 54.13 54.90 1sq5 s LEU 2299Cb 0.11 0.28 -0.01 0.00 -0.43 0.00 0.00 46.19 46.14 1sq5 s LEU 2299CO 0.85 -0.07 -0.04 -0.63 -0.29 0.00 0.00 176.35 176.17 1sq5 s ILE 2300N 0.42 3.39 -0.39 6.68 1.01 0.64 -0.48 121.20 132.48 1sq5 s ILE 2300Ca -0.03 -0.49 -0.11 0.00 0.00 0.00 0.00 60.65 60.02 1sq5 s ILE 2300Cb -0.04 -2.54 0.03 0.00 0.01 0.00 0.00 42.46 39.92 1sq5 s ILE 2300CO -0.02 0.43 0.23 -0.22 0.00 0.00 0.00 174.94 175.36 1sq5 s LEU 2301N 1.43 4.83 -0.30 2.97 2.96 -0.19 -1.23 118.68 129.15 1sq5 s LEU 2301Ca 0.05 -1.03 -0.12 0.00 -0.22 0.00 0.00 54.13 52.81 1sq5 s LEU 2301Cb -0.14 -2.04 -0.04 0.00 0.50 0.00 0.00 46.19 44.47 1sq5 s LEU 2301CO -0.03 -0.41 0.24 -0.89 -1.32 0.00 0.00 176.35 173.94 1sq5 s THR 2302N 1.56 5.27 0.21 3.68 2.01 -0.38 0.49 115.64 128.49 1sq5 s THR 2302Ca 0.02 0.11 0.00 0.00 0.31 0.00 0.00 61.69 62.13 1sq5 s THR 2302Cb -0.20 -3.63 -0.04 0.00 0.01 0.00 0.00 72.50 68.65 1sq5 s THR 2302CO 0.07 0.14 0.39 -0.54 -0.69 0.00 0.00 174.62 173.98 1sq5 s LYS 2303N 1.81 3.50 0.00 4.92 1.02 0.14 -0.71 119.74 130.42 1sq5 s LYS 2303Ca 0.08 -0.41 0.00 0.00 0.02 0.00 0.00 55.97 55.66 1sq5 s LYS 2303Cb -0.16 -2.84 0.00 0.00 -0.52 0.00 0.00 37.83 34.30 1sq5 s LYS 2303CO 0.11 0.40 0.00 0.45 -0.92 0.00 0.00 175.35 175.39 1sq5 n SER 2304N -0.81 1.17 -4.57 2.83 2.88 0.11 -4.49 113.62 110.74 1sq5 n SER 2304Ca -0.05 -0.23 -0.41 0.00 -1.33 0.00 0.00 58.87 56.85 1sq5 n SER 2304Cb 0.54 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 64.02 1sq5 n SER 2304CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1sq5 n ALA 2305N -3.00 -0.20 -1.67 -1.46 0.00 -1.26 -1.56 120.51 111.36 1sq5 n ALA 2305Ca 0.00 0.17 -0.20 0.00 0.00 0.00 0.00 53.44 53.41 1sq5 n ALA 2305Cb 0.00 -2.02 -0.08 0.00 0.00 0.00 0.00 19.45 17.36 1sq5 n ALA 2305CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1sq5 n ASN 2306N 0.45 -5.48 -0.08 0.00 3.02 -1.26 -2.31 115.26 109.60 1sq5 n ASN 2306Ca 0.11 0.45 -0.01 0.00 -0.03 0.00 0.00 54.58 55.09 1sq5 n ASN 2306Cb 0.41 -4.73 -0.00 0.00 -0.61 0.00 0.00 39.78 34.84 1sq5 n ASN 2306CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1sq5 n HIS 2307N -2.58 0.00 -2.18 3.10 8.25 -0.60 -4.98 115.22 116.23 1sq5 n HIS 2307Ca -0.21 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.83 1sq5 n HIS 2307Cb 0.67 -1.10 -0.03 0.00 1.12 0.00 0.00 29.99 30.65 1sq5 n HIS 2307CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1sq5 s ALA 2308N -1.59 3.58 0.06 -1.41 0.00 -0.98 -4.65 121.76 116.76 1sq5 s ALA 2308Ca 0.00 1.12 -0.30 0.00 0.00 0.00 0.00 51.96 52.77 1sq5 s ALA 2308Cb 0.00 -3.52 -0.05 0.00 0.00 0.00 0.00 23.12 19.54 1sq5 s ALA 2308CO 0.00 -0.60 1.12 0.08 0.00 0.00 0.00 175.76 176.36 1sq5 s VAL 2309N 0.88 4.28 -0.13 0.00 1.01 -1.26 0.06 120.40 125.24 1sq5 s VAL 2309Ca 0.63 1.67 0.06 0.00 0.00 0.00 0.00 61.98 64.34 1sq5 s VAL 2309Cb -0.37 -4.07 -0.08 0.00 0.00 0.00 0.00 36.38 31.86 1sq5 s VAL 2309CO 0.32 0.15 0.18 -1.84 0.00 0.00 0.00 175.10 173.91 1sq5 n GLU 2310N 3.71 2.39 -3.68 2.72 0.28 0.11 -4.66 120.64 121.52 1sq5 n GLU 2310Ca 0.07 -0.03 -0.14 0.00 -0.16 0.00 0.00 57.16 56.90 1sq5 n GLU 2310Cb 0.48 -0.97 -0.08 0.00 1.43 0.00 0.00 31.44 32.29 1sq5 n GLU 2310CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 1sq5 s GLU 2311N -2.02 0.73 -0.06 3.44 2.12 -1.15 -2.31 118.70 119.46 1sq5 s GLU 2311Ca -0.00 0.26 -0.00 0.00 0.36 0.00 0.00 54.97 55.59 1sq5 s GLU 2311Cb 0.04 0.34 0.02 0.00 0.26 0.00 0.00 34.13 34.80 1sq5 s GLU 2311CO 0.24 -0.17 -0.03 0.08 -0.54 0.00 0.00 175.26 174.84 1sq5 s VAL 2312N -0.67 0.49 -0.12 3.70 1.01 -0.02 -1.24 120.40 123.55 1sq5 s VAL 2312Ca -0.08 -0.03 0.03 0.00 0.00 0.00 0.00 61.98 61.91 1sq5 s VAL 2312Cb -0.03 -0.58 0.01 0.00 0.00 0.00 0.00 36.38 35.78 1sq5 s VAL 2312CO 0.04 0.25 -0.23 -0.13 0.00 0.00 0.00 175.10 175.03 1sq5 s ARG 2313N 1.40 3.04 -0.07 2.72 0.52 -0.36 -1.03 118.95 125.17 1sq5 s ARG 2313Ca -0.03 -0.86 0.04 0.00 -0.52 0.00 0.00 55.73 54.36 1sq5 s ARG 2313Cb -0.13 -2.39 -0.00 0.00 0.52 0.00 0.00 34.95 32.95 1sq5 s ARG 2313CO -0.03 0.07 -0.21 -1.17 0.02 0.00 0.00 175.30 173.98 1sq5 s LEU 2314N 0.62 1.98 0.21 2.53 2.96 -0.65 -0.26 118.68 126.08 1sq5 s LEU 2314Ca -0.12 -0.47 -0.32 0.00 -0.22 0.00 0.00 54.13 53.00 1sq5 s LEU 2314Cb -0.17 -1.23 -0.13 0.00 0.50 0.00 0.00 46.19 45.17 1sq5 s LEU 2314CO 0.03 0.16 1.56 0.54 -1.32 0.00 0.00 176.35 177.32 1sq5 n ARG 2315N 3.32 2.31 0.00 1.98 5.12 -0.10 0.37 116.66 129.67 1sq5 n ARG 2315Ca -0.19 0.83 0.06 0.00 -1.93 0.00 0.00 57.85 56.62 1sq5 n ARG 2315Cb 0.52 -2.58 0.38 0.00 -1.16 0.00 0.00 32.46 29.62 1sq5 n ARG 2315CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33