#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1914 s VAL 2002N 0.00 -0.38 -0.08 1.12 1.01 -1.16 -4.98 120.40 115.93 1914 s VAL 2002Ca 0.00 0.21 -0.30 0.00 0.00 0.00 0.00 61.98 61.89 1914 s VAL 2002Cb 0.00 -0.48 -0.02 0.00 0.00 0.00 0.00 36.38 35.88 1914 s VAL 2002CO 0.00 0.05 1.13 -0.22 0.00 0.00 0.00 175.10 176.06 1914 s LEU 2003N 2.39 4.26 0.42 3.92 2.96 -1.26 -0.83 118.68 130.54 1914 s LEU 2003Ca 0.03 1.70 0.04 0.00 -0.22 0.00 0.00 54.13 55.68 1914 s LEU 2003Cb -0.13 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 42.97 1914 s LEU 2003CO -0.09 -0.54 0.05 -0.76 -1.32 0.00 0.00 176.35 173.69 1914 s LEU 2004N 2.18 2.31 0.63 -0.68 1.43 -0.54 -4.97 118.68 119.04 1914 s LEU 2004Ca 0.53 -1.55 -0.07 0.00 -1.03 0.00 0.00 54.13 52.01 1914 s LEU 2004Cb -0.22 -0.52 0.02 0.00 0.03 0.00 0.00 46.19 45.49 1914 s LEU 2004CO 0.20 -0.74 0.95 -0.70 0.23 0.00 0.00 176.35 176.29 1914 s GLU 2005N -3.80 2.83 0.13 1.70 2.56 -1.26 -4.44 118.70 116.41 1914 s GLU 2005Ca 0.23 0.06 -0.32 0.00 0.00 0.00 0.00 54.97 54.94 1914 s GLU 2005Cb 0.05 -2.21 -0.10 0.00 2.00 0.00 0.00 34.13 33.87 1914 s GLU 2005CO 0.12 -0.83 1.56 0.77 -0.56 0.00 0.00 175.26 176.32 1914 h SER 2006N -0.32 -1.70 0.77 -1.70 0.02 -1.97 0.10 113.55 108.76 1914 h SER 2006Ca -0.45 0.22 -0.12 0.00 -0.84 0.00 0.00 61.79 60.59 1914 h SER 2006Cb 1.26 0.68 -0.02 0.00 0.14 0.00 0.00 62.40 64.47 1914 h SER 2006CO 0.61 -0.45 -0.59 -0.33 -1.14 0.00 0.00 176.83 174.93 1914 h GLU 2007N -0.50 0.00 -0.03 3.45 5.08 -1.99 -2.37 114.58 118.22 1914 h GLU 2007Ca 0.06 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.30 1914 h GLU 2007Cb 0.64 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 1914 h GLU 2007CO -0.50 0.59 -0.55 0.37 -1.00 0.00 0.00 179.01 177.93 1914 h GLN 2008N 0.00 0.08 -0.06 2.33 5.75 -1.82 -2.72 115.11 118.66 1914 h GLN 2008Ca -0.01 -0.05 -0.04 0.00 -0.15 0.00 0.00 58.65 58.41 1914 h GLN 2008Cb 1.14 0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.70 1914 h GLN 2008CO 0.08 0.61 -0.11 0.35 -2.65 0.00 0.00 178.83 177.11 1914 h PHE 2009N 0.06 0.23 -0.29 3.99 3.57 -0.59 -2.77 116.94 121.14 1914 h PHE 2009Ca -0.00 -0.08 0.04 0.00 3.53 0.00 0.00 57.97 61.45 1914 h PHE 2009Cb 1.00 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.68 1914 h PHE 2009CO 0.01 0.70 0.20 -0.07 -2.23 0.00 0.00 178.31 176.91 1914 h LEU 2010N -0.30 0.21 -0.08 0.59 3.38 -1.37 0.11 115.31 117.85 1914 h LEU 2010Ca 0.00 -0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.75 1914 h LEU 2010Cb 0.68 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 1914 h LEU 2010CO 0.03 0.14 -1.01 0.71 0.09 0.00 0.00 178.44 178.40 1914 h THR 2011N 0.24 1.58 0.00 0.22 1.35 -1.49 -2.54 112.91 112.27 1914 h THR 2011Ca 0.12 -3.04 -0.18 0.00 -0.55 0.00 0.00 66.41 62.76 1914 h THR 2011Cb 0.19 2.73 -0.02 0.00 -1.73 0.00 0.00 68.15 69.32 1914 h THR 2011CO -0.02 0.88 -0.84 -0.08 -0.25 0.00 0.00 175.52 175.20 1914 h GLU 2012N 0.05 0.07 -0.01 4.72 4.57 -1.13 -2.39 114.58 120.45 1914 h GLU 2012Ca -0.05 -0.08 -0.01 0.00 -1.18 0.00 0.00 59.36 58.04 1914 h GLU 2012Cb 1.72 0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 30.33 1914 h GLU 2012CO 0.15 0.87 -0.02 1.25 -1.18 0.00 0.00 179.01 180.08 1914 h LEU 2013N 0.04 0.04 -0.75 1.64 5.85 -0.82 -2.76 115.31 118.53 1914 h LEU 2013Ca -0.02 -0.54 0.11 0.00 0.84 0.00 0.00 57.88 58.26 1914 h LEU 2013Cb 1.47 -0.01 -0.08 0.00 0.37 0.00 0.00 40.66 42.41 1914 h LEU 2013CO 0.12 0.57 0.38 0.74 -0.34 0.00 0.00 178.44 179.91 1914 h THR 2014N -0.50 0.82 -0.06 1.05 2.02 -1.43 0.20 112.91 115.01 1914 h THR 2014Ca 0.00 -0.21 -0.05 0.00 0.77 0.00 0.00 66.41 66.92 1914 h THR 2014Cb 0.57 0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 67.11 1914 h THR 2014CO 0.00 0.11 -0.19 0.03 0.37 0.00 0.00 175.52 175.85 1914 h ARG 2015N 0.62 0.09 -0.08 6.66 3.08 -1.46 -0.76 114.38 122.52 1914 h ARG 2015Ca 0.38 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.39 1914 h ARG 2015Cb 0.44 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.47 1914 h ARG 2015CO -0.29 0.28 -0.04 -0.07 -1.07 0.00 0.00 179.97 178.78 1914 h LEU 2016N 0.08 0.18 -0.95 3.04 3.38 -0.36 -1.98 115.31 118.70 1914 h LEU 2016Ca 0.02 -0.40 0.03 0.00 0.09 0.00 0.00 57.88 57.61 1914 h LEU 2016Cb 0.39 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.04 1914 h LEU 2016CO 0.03 0.54 0.62 -0.26 0.09 0.00 0.00 178.44 179.46 1914 h PHE 2017N -0.19 1.16 -0.32 1.13 0.04 -0.90 -2.70 116.94 115.16 1914 h PHE 2017Ca 0.02 0.03 -0.09 0.00 2.80 0.00 0.00 57.97 60.72 1914 h PHE 2017Cb 0.47 -0.39 -0.02 0.00 2.20 0.00 0.00 35.95 38.22 1914 h PHE 2017CO 0.06 0.68 -0.19 1.96 -0.60 0.00 0.00 178.31 180.22 1914 h GLN 2018N 1.21 0.60 0.00 1.51 4.20 -1.04 -2.92 115.11 118.66 1914 h GLN 2018Ca 0.37 -0.21 0.00 0.00 0.06 0.00 0.00 58.65 58.87 1914 h GLN 2018Cb -0.01 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.72 1914 h GLN 2018CO -0.12 0.76 0.00 1.17 -0.67 0.00 0.00 178.83 179.97 1914 n LYS 2019N -4.14 0.21 -2.14 1.46 4.81 -0.75 -3.83 118.16 113.77 1914 n LYS 2019Ca 0.00 0.21 -0.31 0.00 -0.87 0.00 0.00 58.31 57.34 1914 n LYS 2019Cb 0.39 -1.76 0.02 0.00 0.02 0.00 0.00 35.03 33.70 1914 n LYS 2019CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1914 n ARG 2021N -0.58 0.69 0.17 0.00 1.74 -1.25 -4.28 116.66 113.15 1914 n ARG 2021Ca 0.46 0.10 0.09 0.00 -0.77 0.00 0.00 57.85 57.73 1914 n ARG 2021Cb 0.60 -1.47 0.09 0.00 -1.02 0.00 0.00 32.46 30.66 1914 n ARG 2021CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1914 h SER 2022N 0.00 0.00 -4.14 0.55 4.64 -1.87 -3.33 113.55 109.40 1914 h SER 2022Ca -0.52 0.00 0.29 0.00 -0.47 0.00 0.00 61.79 61.09 1914 h SER 2022Cb 1.90 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 63.79 1914 h SER 2022CO -0.05 0.13 0.88 -0.94 -0.87 0.00 0.00 176.83 175.98 1914 s SER 2023N -6.03 -0.08 0.00 4.97 1.04 -1.26 -4.88 113.70 107.45 1914 s SER 2023Ca 0.04 0.00 0.00 0.00 0.48 0.00 0.00 55.95 56.47 1914 s SER 2023Cb 0.07 0.09 0.00 0.00 0.10 0.00 0.00 66.02 66.28 1914 s SER 2023CO 0.72 -0.14 0.00 0.61 0.98 0.00 0.00 173.24 175.41 1914 n GLY 2024N -0.05 -3.73 3.06 7.32 0.00 -1.26 -4.21 105.19 106.32 1914 n GLY 2024Ca 0.03 -1.94 -0.09 0.00 0.00 0.00 0.00 46.02 44.02 1914 n GLY 2024CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1914 s SER 2025N -0.66 0.55 -0.21 1.61 1.04 -1.26 -4.35 113.70 110.43 1914 s SER 2025Ca 0.00 -0.77 -0.04 0.00 0.48 0.00 0.00 55.95 55.62 1914 s SER 2025Cb 0.00 0.13 -0.02 0.00 0.10 0.00 0.00 66.02 66.23 1914 s SER 2025CO 0.00 -0.42 -0.03 -0.69 0.98 0.00 0.00 173.24 173.08 1914 s VAL 2026N -2.69 3.64 -0.08 5.02 1.01 -0.44 -4.35 120.40 122.51 1914 s VAL 2026Ca -0.02 -0.41 -0.02 0.00 0.00 0.00 0.00 61.98 61.52 1914 s VAL 2026Cb -0.01 -2.65 -0.03 0.00 0.00 0.00 0.00 36.38 33.69 1914 s VAL 2026CO -0.05 0.43 0.03 -0.36 0.00 0.00 0.00 175.10 175.15 1914 s PHE 2027N 1.18 3.24 -0.08 5.22 0.40 -0.26 -1.49 117.98 126.18 1914 s PHE 2027Ca 0.03 0.25 -0.00 0.00 -0.60 0.00 0.00 56.93 56.60 1914 s PHE 2027Cb -0.14 -1.80 0.02 0.00 0.51 0.00 0.00 43.02 41.61 1914 s PHE 2027CO 0.00 0.52 -0.04 0.42 0.70 0.00 0.00 175.22 176.82 1914 s ILE 2028N -0.94 0.71 -0.05 0.64 1.01 0.13 -1.01 121.20 121.69 1914 s ILE 2028Ca 0.15 -0.12 0.04 0.00 0.00 0.00 0.00 60.65 60.72 1914 s ILE 2028Cb -0.11 -0.78 -0.02 0.00 0.01 0.00 0.00 42.46 41.55 1914 s ILE 2028CO 0.04 0.31 -0.17 0.42 0.00 0.00 0.00 174.94 175.53 1914 s THR 2029N 1.62 2.80 0.05 2.92 -4.23 0.97 -1.01 115.64 118.77 1914 s THR 2029Ca 0.01 -0.82 0.09 0.00 -1.18 0.00 0.00 61.69 59.79 1914 s THR 2029Cb -0.13 -2.08 -0.03 0.00 1.34 0.00 0.00 72.50 71.61 1914 s THR 2029CO -0.05 0.58 -0.24 -0.22 -0.54 0.00 0.00 174.62 174.15 1914 s LEU 2030N -0.60 2.17 -0.24 4.79 2.96 -0.13 -0.63 118.68 127.00 1914 s LEU 2030Ca 0.09 -0.57 -0.27 0.00 -0.22 0.00 0.00 54.13 53.16 1914 s LEU 2030Cb -0.11 -1.16 0.12 0.00 0.50 0.00 0.00 46.19 45.54 1914 s LEU 2030CO 0.01 0.22 0.99 -0.75 -1.32 0.00 0.00 176.35 175.49 1914 s LYS 2031N -1.25 0.57 0.59 1.98 2.20 -0.89 -1.49 119.74 121.46 1914 s LYS 2031Ca 0.10 0.50 -0.20 0.00 -0.36 0.00 0.00 55.97 56.01 1914 s LYS 2031Cb -0.10 0.28 -0.03 0.00 -1.51 0.00 0.00 37.83 36.47 1914 s LYS 2031CO 0.02 -0.11 1.32 0.15 -0.36 0.00 0.00 175.35 176.38 1914 s LYS 2032N -0.15 2.87 -0.03 4.03 -0.14 -1.26 0.20 119.74 125.26 1914 s LYS 2032Ca 0.01 2.14 -0.04 0.00 -1.36 0.00 0.00 55.97 56.72 1914 s LYS 2032Cb -0.04 -2.06 0.01 0.00 -1.68 0.00 0.00 37.83 34.06 1914 s LYS 2032CO -0.03 -1.37 0.11 -0.47 -0.76 0.00 0.00 175.35 172.82 1914 s TYR 2033N -1.35 -0.06 0.15 3.18 6.14 -0.55 -4.68 117.35 120.17 1914 s TYR 2033Ca 0.77 0.15 -0.01 0.00 0.64 0.00 0.00 57.07 58.62 1914 s TYR 2033Cb -0.39 0.01 -0.04 0.00 0.42 0.00 0.00 41.96 41.96 1914 s TYR 2033CO 0.43 -0.12 0.33 0.34 0.64 0.00 0.00 175.55 177.18 1914 s ASP 2034N -0.36 6.39 0.00 4.32 -1.08 -1.26 -3.84 116.67 120.84 1914 s ASP 2034Ca -0.04 0.36 0.00 0.00 -0.52 0.00 0.00 52.55 52.35 1914 s ASP 2034Cb -0.03 -2.00 0.00 0.00 -1.46 0.00 0.00 42.92 39.43 1914 s ASP 2034CO 0.00 0.04 0.00 -0.62 0.52 0.00 0.00 175.17 175.11 1914 n GLU 2047N -0.31 3.89 0.00 4.34 1.02 -1.26 -5.11 120.64 123.21 1914 n GLU 2047Ca -0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.09 1914 n GLU 2047Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.95 1914 n GLU 2047CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1914 n GLY 2048N 5.00 1.41 2.69 0.62 0.00 -1.26 -4.90 105.19 108.76 1914 n GLY 2048Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 1914 n GLY 2048CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1914 n LEU 2049N 0.00 -4.80 -4.79 0.99 4.77 -1.26 -5.03 117.00 106.87 1914 n LEU 2049Ca 0.00 -0.37 -0.39 0.00 -0.03 0.00 0.00 56.01 55.22 1914 n LEU 2049Cb 0.00 -2.47 -0.06 0.00 -2.33 0.00 0.00 43.42 38.56 1914 n LEU 2049CO 0.00 -0.18 0.33 -1.61 -1.33 0.00 0.00 177.39 174.60 1914 s GLU 2050N -3.70 4.31 0.00 3.23 0.41 -1.26 -4.96 118.70 116.74 1914 s GLU 2050Ca 0.23 0.84 0.00 0.00 -0.41 0.00 0.00 54.97 55.63 1914 s GLU 2050Cb -0.03 -3.27 0.00 0.00 -1.78 0.00 0.00 34.13 29.05 1914 s GLU 2050CO 0.52 0.57 0.08 -0.35 -0.49 0.00 0.00 175.26 175.59 1914 n PRO 2051N 1.90 0.12 0.00 0.39 -0.05 -1.26 -4.92 135.00 131.18 1914 n PRO 2051Ca -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.37 1914 n PRO 2051Cb 0.50 -1.04 0.00 0.00 -0.05 0.00 0.00 33.50 32.91 1914 n PRO 2051CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 1914 n ALA 2052N 0.12 0.00 0.00 0.55 0.00 -1.26 -4.92 120.51 115.00 1914 n ALA 2052Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1914 n ALA 2052Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.47 1914 n ALA 2052CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1914 n GLU 2053N 0.00 0.00 -2.89 0.00 1.02 -1.26 -5.08 120.64 112.44 1914 n GLU 2053Ca 0.00 0.00 -0.40 0.00 -0.02 0.00 0.00 57.16 56.74 1914 n GLU 2053Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.36 1914 n GLU 2053CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1914 s ASN 2054N 0.00 7.46 0.27 1.62 3.84 -1.26 -5.03 114.94 121.84 1914 s ASN 2054Ca 0.00 1.73 -0.04 0.00 0.21 0.00 0.00 52.86 54.76 1914 s ASN 2054Cb 0.00 -2.54 -0.02 0.00 -0.55 0.00 0.00 41.25 38.14 1914 s ASN 2054CO 0.00 0.14 0.34 -0.54 -2.79 0.00 0.00 177.10 174.25 1914 s LYS 2055N -0.91 1.56 -0.05 0.43 1.02 -1.25 -3.38 119.74 117.15 1914 s LYS 2055Ca 0.39 -1.61 -0.04 0.00 0.02 0.00 0.00 55.97 54.72 1914 s LYS 2055Cb -0.24 0.38 0.02 0.00 -0.52 0.00 0.00 37.83 37.47 1914 s LYS 2055CO 0.28 -0.60 0.14 0.00 -0.92 0.00 0.00 175.35 174.24 1914 s LEU 2057N 0.31 4.30 -0.23 0.00 2.96 0.13 -2.19 118.68 123.96 1914 s LEU 2057Ca -0.02 0.74 0.00 0.00 -0.22 0.00 0.00 54.13 54.64 1914 s LEU 2057Cb -0.03 -2.58 0.03 0.00 0.50 0.00 0.00 46.19 44.11 1914 s LEU 2057CO -0.01 0.09 -0.11 -0.22 -1.32 0.00 0.00 176.35 174.78 1914 s LEU 2058N 0.29 2.98 0.18 -0.68 2.96 0.23 -2.09 118.68 122.54 1914 s LEU 2058Ca 0.23 -0.94 0.10 0.00 -0.22 0.00 0.00 54.13 53.30 1914 s LEU 2058Cb -0.15 -1.59 -0.04 0.00 0.50 0.00 0.00 46.19 44.91 1914 s LEU 2058CO 0.09 -0.11 -0.19 -0.13 -1.32 0.00 0.00 176.35 174.69 1914 s ARG 2059N 1.26 1.73 -0.02 1.98 0.52 0.20 -0.77 118.95 123.86 1914 s ARG 2059Ca -0.01 -1.40 -0.19 0.00 -0.52 0.00 0.00 55.73 53.61 1914 s ARG 2059Cb -0.16 -1.98 0.03 0.00 0.52 0.00 0.00 34.95 33.36 1914 s ARG 2059CO -0.07 0.42 0.40 0.00 0.02 0.00 0.00 175.30 176.07 1914 s ALA 2060N -1.63 -1.02 0.15 2.13 0.00 -0.13 -0.02 121.76 121.24 1914 s ALA 2060Ca 0.22 0.54 -0.16 0.00 0.00 0.00 0.00 51.96 52.56 1914 s ALA 2060Cb -0.08 0.09 0.03 0.00 0.00 0.00 0.00 23.12 23.15 1914 s ALA 2060CO 0.12 -0.30 0.44 0.99 0.00 0.00 0.00 175.76 177.00 1914 s THR 2061N -1.42 0.05 -0.06 0.00 2.01 -0.18 -1.09 115.64 114.96 1914 s THR 2061Ca -0.12 -0.65 0.09 0.00 0.31 0.00 0.00 61.69 61.31 1914 s THR 2061Cb -0.04 -1.31 0.14 0.00 0.01 0.00 0.00 72.50 71.30 1914 s THR 2061CO 0.05 -0.25 1.02 -0.90 -0.69 0.00 0.00 174.62 173.86 1914 n ASP 2062N -0.26 1.69 0.00 3.53 5.75 -1.19 -1.11 116.55 124.96 1914 n ASP 2062Ca -0.14 -2.42 0.00 0.00 -0.01 0.00 0.00 54.79 52.23 1914 n ASP 2062Cb 0.63 -0.23 0.00 0.00 -1.03 0.00 0.00 41.12 40.49 1914 n ASP 2062CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1914 n GLY 2063N -0.82 3.34 0.89 6.12 0.00 -1.26 -4.73 105.19 108.73 1914 n GLY 2063Ca 0.07 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.07 1914 n GLY 2063CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1914 n LYS 2064N -1.73 0.08 -3.84 1.61 5.02 -1.26 -5.02 118.16 113.03 1914 n LYS 2064Ca 0.00 0.03 -0.36 0.00 -2.02 0.00 0.00 58.31 55.96 1914 n LYS 2064Cb 0.00 -0.65 -0.13 0.00 -0.02 0.00 0.00 35.03 34.23 1914 n LYS 2064CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1914 s ARG 2065N -2.13 2.74 -0.25 1.97 3.52 -1.26 -5.08 118.95 118.46 1914 s ARG 2065Ca -0.05 -1.08 -0.21 0.00 -0.13 0.00 0.00 55.73 54.27 1914 s ARG 2065Cb 0.01 -3.27 -0.02 0.00 -1.56 0.00 0.00 34.95 30.11 1914 s ARG 2065CO 0.07 -0.54 0.64 0.15 -0.81 0.00 0.00 175.30 174.80 1914 s LYS 2066N 1.37 4.13 0.12 5.12 1.02 -1.26 -3.19 119.74 127.05 1914 s LYS 2066Ca -0.01 0.57 0.04 0.00 0.02 0.00 0.00 55.97 56.58 1914 s LYS 2066Cb -0.18 -3.64 -0.04 0.00 -0.52 0.00 0.00 37.83 33.45 1914 s LYS 2066CO 0.00 -0.39 -0.09 0.96 -0.92 0.00 0.00 175.35 174.91 1914 s ILE 2067N 2.44 0.97 0.20 2.17 -4.36 -0.25 -2.98 121.20 119.40 1914 s ILE 2067Ca 0.27 -1.89 -0.14 0.00 -0.26 0.00 0.00 60.65 58.63 1914 s ILE 2067Cb -0.16 -1.64 0.01 0.00 1.25 0.00 0.00 42.46 41.93 1914 s ILE 2067CO 0.09 -0.71 0.46 -0.94 0.24 0.00 0.00 174.94 174.07 1914 s SER 2068N -2.89 -0.14 0.09 4.36 1.04 -0.01 -0.95 113.70 115.19 1914 s SER 2068Ca 0.12 -0.69 -0.25 0.00 0.48 0.00 0.00 55.95 55.61 1914 s SER 2068Cb 0.01 0.55 0.07 0.00 0.10 0.00 0.00 66.02 66.75 1914 s SER 2068CO -0.01 -1.04 0.61 0.28 0.98 0.00 0.00 173.24 174.06 1914 s THR 2069N -3.93 0.00 -0.26 2.02 -1.32 0.05 -1.47 115.64 110.74 1914 s THR 2069Ca 0.14 -0.03 0.01 0.00 -1.21 0.00 0.00 61.69 60.61 1914 s THR 2069Cb 0.00 -1.00 0.05 0.00 -1.51 0.00 0.00 72.50 70.04 1914 s THR 2069CO 0.01 -0.02 -0.10 -0.69 -2.21 0.00 0.00 174.62 171.62 1914 s VAL 2070N -2.96 2.38 -0.10 5.08 1.01 -1.26 -0.60 120.40 123.94 1914 s VAL 2070Ca -0.03 -1.45 -0.06 0.00 0.00 0.00 0.00 61.98 60.45 1914 s VAL 2070Cb -0.01 -2.33 -0.04 0.00 0.00 0.00 0.00 36.38 34.01 1914 s VAL 2070CO -0.06 0.05 0.14 -0.69 0.00 0.00 0.00 175.10 174.54 1914 s VAL 2071N 1.17 5.43 0.46 2.92 1.01 -0.93 -4.94 120.40 125.52 1914 s VAL 2071Ca -0.06 0.12 0.03 0.00 0.00 0.00 0.00 61.98 62.07 1914 s VAL 2071Cb -0.19 -3.39 -0.03 0.00 0.00 0.00 0.00 36.38 32.77 1914 s VAL 2071CO -0.05 0.57 0.03 -0.94 0.00 0.00 0.00 175.10 174.71 1914 s SER 2072N -1.17 3.72 0.21 3.32 1.04 -1.26 -2.13 113.70 117.42 1914 s SER 2072Ca 0.17 -1.58 0.20 0.00 0.48 0.00 0.00 55.95 55.22 1914 s SER 2072Cb -0.12 0.29 0.89 0.00 0.10 0.00 0.00 66.02 67.18 1914 s SER 2072CO 0.06 -0.77 1.61 -1.54 0.98 0.00 0.00 173.24 173.59 1914 n SER 2073N -1.17 0.49 0.15 7.02 3.41 -1.22 -2.22 113.62 120.07 1914 n SER 2073Ca -0.13 0.65 0.13 0.00 -0.26 0.00 0.00 58.87 59.25 1914 n SER 2073Cb 0.67 -0.74 0.31 0.00 -0.26 0.00 0.00 64.21 64.18 1914 n SER 2073CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1914 h LYS 2074N 0.00 0.00 0.00 4.33 1.79 -1.93 -3.37 116.57 117.38 1914 h LYS 2074Ca 0.00 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.44 1914 h LYS 2074Cb 0.25 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 30.83 1914 h LYS 2074CO 0.00 0.00 -0.57 -0.85 -1.08 0.00 0.00 179.45 176.95 1914 n GLU 2075N -2.57 0.00 -0.11 3.15 0.28 -0.94 -4.89 120.64 115.56 1914 n GLU 2075Ca 0.05 -1.14 -0.13 0.00 -0.16 0.00 0.00 57.16 55.78 1914 n GLU 2075Cb 0.47 -0.39 -0.03 0.00 1.43 0.00 0.00 31.44 32.92 1914 n GLU 2075CO 0.00 0.00 0.00 -0.39 -0.16 0.00 0.00 177.13 176.58 1914 h VAL 2076N 6.91 1.29 -0.57 3.84 -1.51 -1.64 -1.15 116.25 123.42 1914 h VAL 2076Ca -0.04 -1.45 0.01 0.00 -1.23 0.00 0.00 66.70 63.99 1914 h VAL 2076Cb 1.47 1.45 -0.03 0.00 -2.13 0.00 0.00 31.29 32.06 1914 h VAL 2076CO 0.02 0.47 0.37 0.78 -1.23 0.00 0.00 177.57 177.98 1914 h ASN 2077N 0.58 0.64 -0.12 4.19 2.35 -1.89 0.53 115.58 121.85 1914 h ASN 2077Ca 0.06 -0.01 -0.18 0.00 -0.55 0.00 0.00 56.30 55.62 1914 h ASN 2077Cb 0.86 -0.15 0.01 0.00 0.05 0.00 0.00 38.32 39.08 1914 h ASN 2077CO 0.07 0.46 -0.63 0.11 -1.65 0.00 0.00 177.43 175.80 1914 h LYS 2078N 0.76 0.63 0.18 0.81 1.57 -1.92 -2.87 116.57 115.72 1914 h LYS 2078Ca 0.21 -0.52 -0.01 0.00 -1.87 0.00 0.00 60.65 58.46 1914 h LYS 2078Cb -0.07 0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.35 1914 h LYS 2078CO -0.06 1.14 -0.09 0.35 -0.57 0.00 0.00 179.45 180.23 1914 h PHE 2079N 0.28 -0.22 -0.61 -1.35 3.57 -1.02 -3.12 116.94 114.47 1914 h PHE 2079Ca -0.05 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.54 1914 h PHE 2079Cb 1.27 0.07 -0.04 0.00 2.79 0.00 0.00 35.95 40.04 1914 h PHE 2079CO 0.10 0.01 0.41 1.96 -2.23 0.00 0.00 178.31 178.56 1914 h GLN 2080N -0.43 0.44 -0.70 1.11 4.20 -0.02 0.20 115.11 119.91 1914 h GLN 2080Ca -0.02 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.62 1914 h GLN 2080Cb 0.33 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.98 1914 h GLN 2080CO 0.04 0.29 0.28 0.52 -0.67 0.00 0.00 178.83 179.29 1914 h MET 2081N 0.45 1.05 0.05 1.46 2.86 -1.44 0.30 114.93 119.67 1914 h MET 2081Ca 0.28 -0.19 -0.00 0.00 -2.06 0.00 0.00 59.70 57.72 1914 h MET 2081Cb 0.50 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 31.99 1914 h MET 2081CO -0.08 0.88 -0.03 0.00 1.06 0.00 0.00 176.91 178.74 1914 h ALA 2082N 1.13 -0.07 -0.76 6.32 0.00 -1.35 -3.13 119.26 121.39 1914 h ALA 2082Ca 0.23 -0.29 0.08 0.00 0.00 0.00 0.00 54.91 54.94 1914 h ALA 2082Cb 0.22 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 17.97 1914 h ALA 2082CO -0.02 -0.21 0.42 -0.92 0.00 0.00 0.00 179.25 178.52 1914 h TYR 2083N -0.72 0.77 -0.32 0.00 3.20 -0.54 -0.91 116.97 118.44 1914 h TYR 2083Ca -0.01 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.88 1914 h TYR 2083Cb 0.61 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.63 1914 h TYR 2083CO 0.13 0.32 0.14 1.03 -1.64 0.00 0.00 178.16 178.14 1914 h SER 2084N 0.73 0.44 -0.78 -2.11 0.87 -0.52 -2.57 113.55 109.61 1914 h SER 2084Ca 0.36 -0.15 -0.03 0.00 -1.23 0.00 0.00 61.79 60.74 1914 h SER 2084Cb 0.31 -0.11 -0.04 0.00 -0.44 0.00 0.00 62.40 62.13 1914 h SER 2084CO -0.23 0.47 0.35 0.78 -0.53 0.00 0.00 176.83 177.67 1914 h ASN 2085N 0.38 1.03 -0.22 6.23 -0.26 -1.35 -2.62 115.58 118.78 1914 h ASN 2085Ca 0.11 -0.15 -0.07 0.00 -0.56 0.00 0.00 56.30 55.63 1914 h ASN 2085Cb 0.16 -0.27 -0.02 0.00 -1.06 0.00 0.00 38.32 37.13 1914 h ASN 2085CO -0.01 0.89 -0.08 0.25 -1.06 0.00 0.00 177.43 177.42 1914 h LEU 2086N 1.10 0.55 -0.05 1.61 6.46 -1.14 -0.84 115.31 123.00 1914 h LEU 2086Ca 0.26 -0.14 -0.03 0.00 -0.12 0.00 0.00 57.88 57.86 1914 h LEU 2086Cb 0.15 -0.15 -0.00 0.00 -0.73 0.00 0.00 40.66 39.93 1914 h LEU 2086CO -0.03 0.68 -0.07 -0.07 -0.62 0.00 0.00 178.44 178.33 1914 h LEU 2087N 0.54 0.15 -1.14 2.25 3.38 -1.17 -1.81 115.31 117.51 1914 h LEU 2087Ca 0.10 -0.51 -0.03 0.00 0.09 0.00 0.00 57.88 57.53 1914 h LEU 2087Cb 0.46 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 1914 h LEU 2087CO 0.02 0.64 0.22 0.03 0.09 0.00 0.00 178.44 179.45 1914 h ARG 2088N -0.33 0.83 -0.01 1.13 3.08 -1.41 -0.60 114.38 117.07 1914 h ARG 2088Ca 0.01 -0.13 -0.16 0.00 0.07 0.00 0.00 59.98 59.77 1914 h ARG 2088Cb 0.60 -0.15 0.01 0.00 0.08 0.00 0.00 29.97 30.52 1914 h ARG 2088CO 0.02 0.68 -0.62 0.00 -1.07 0.00 0.00 179.97 178.98 1914 h ALA 2089N 1.43 0.09 0.00 0.04 0.00 -1.18 -3.35 119.26 116.28 1914 h ALA 2089Ca 0.19 -0.57 -0.08 0.00 0.00 0.00 0.00 54.91 54.45 1914 h ALA 2089Cb 0.17 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1914 h ALA 2089CO -0.02 0.37 -0.38 -0.91 0.00 0.00 0.00 179.25 178.32 1914 h ASN 2090N -0.06 0.00 -2.30 0.00 2.35 -1.27 -3.34 115.58 110.97 1914 h ASN 2090Ca -0.08 0.00 -0.80 0.00 -0.55 0.00 0.00 56.30 54.87 1914 h ASN 2090Cb 1.33 0.00 -0.25 0.00 0.05 0.00 0.00 38.32 39.44 1914 h ASN 2090CO 0.12 0.37 1.16 0.23 -1.65 0.00 0.00 177.43 177.66 1914 n MET 2091N -3.19 4.98 -0.11 0.81 2.81 -0.24 -4.64 117.12 117.54 1914 n MET 2091Ca 0.02 -4.45 0.04 0.00 -1.81 0.00 0.00 57.70 51.50 1914 n MET 2091Cb 0.68 -2.52 0.10 0.00 -0.71 0.00 0.00 33.22 30.77 1914 n MET 2091CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 1914 n ASP 2092N 0.76 2.58 -3.49 7.83 5.75 -1.26 -4.77 116.55 123.94 1914 n ASP 2092Ca 0.42 -1.94 -0.39 0.00 -0.01 0.00 0.00 54.79 52.86 1914 n ASP 2092Cb 0.29 -0.15 0.02 0.00 -1.03 0.00 0.00 41.12 40.24 1914 n ASP 2092CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1914 n GLY 2093N 0.24 6.04 3.53 6.12 0.00 -1.26 -5.00 105.19 114.86 1914 n GLY 2093Ca 0.08 -2.59 -0.25 0.00 0.00 0.00 0.00 46.02 43.25 1914 n GLY 2093CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1914 s LEU 2094N -4.22 2.67 -0.89 0.99 1.02 -1.26 -4.05 118.68 112.94 1914 s LEU 2094Ca 0.41 -1.27 -0.26 0.00 0.02 0.00 0.00 54.13 53.03 1914 s LEU 2094Cb 0.22 -0.84 -0.21 0.00 0.02 0.00 0.00 46.19 45.39 1914 s LEU 2094CO -0.16 -0.34 2.55 0.29 0.02 0.00 0.00 176.35 178.70 1914 n LYS 2095N -0.79 0.23 0.00 1.70 4.76 0.41 -4.65 118.16 119.81 1914 n LYS 2095Ca -0.05 -0.05 0.00 0.00 -2.87 0.00 0.00 58.31 55.35 1914 n LYS 2095Cb 0.65 -1.91 0.00 0.00 -1.84 0.00 0.00 35.03 31.93 1914 n LYS 2095CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1914 n LYS 2096N 8.14 0.00 0.00 1.97 4.01 -1.26 -3.27 118.16 127.75 1914 n LYS 2096Ca 0.60 0.06 0.00 0.00 -0.51 0.00 0.00 58.31 58.46 1914 n LYS 2096Cb 0.17 -0.13 0.00 0.00 -0.51 0.00 0.00 35.03 34.56 1914 n LYS 2096CO 0.00 0.00 0.00 -2.13 -1.11 0.00 0.00 177.40 174.16 1914 n ARG 2097N -0.45 0.00 0.00 1.97 3.00 -1.26 -4.79 116.66 115.13 1914 n ARG 2097Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1914 n ARG 2097Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 1914 n ARG 2097CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1914 n ALA 3001N 11.40 0.00 -2.55 5.13 0.00 -1.26 -5.01 120.51 128.22 1914 n ALA 3001Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.10 1914 n ALA 3001Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 1914 n ALA 3001CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1914 s GLN 3002N 0.00 3.77 0.00 0.00 -0.21 -1.24 -2.86 119.66 119.11 1914 s GLN 3002Ca 0.00 0.18 0.00 0.00 0.02 0.00 0.00 55.36 55.56 1914 s GLN 3002Cb 0.00 -2.94 0.00 0.00 1.00 0.00 0.00 33.01 31.07 1914 s GLN 3002CO 0.00 0.52 0.00 0.41 -2.12 0.00 0.00 175.29 174.10 1914 n GLY 3003N 0.68 4.85 3.97 3.09 0.00 -0.42 -4.93 105.19 112.43 1914 n GLY 3003Ca -0.06 -0.99 -0.24 0.00 0.00 0.00 0.00 46.02 44.73 1914 n GLY 3003CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1914 s GLY 3004N 0.00 1.77 -0.11 -0.02 0.00 -1.16 -2.45 107.32 105.33 1914 s GLY 3004Ca 0.00 -1.38 -0.09 0.00 0.00 0.00 0.00 44.72 43.26 1914 s GLY 3004CO 0.00 -0.93 0.29 -0.54 0.00 0.00 0.00 173.10 171.93 1914 s GLU 3005N -5.09 0.31 -0.74 2.90 2.02 -0.61 0.23 118.70 117.72 1914 s GLU 3005Ca 0.62 0.48 -0.02 0.00 0.02 0.00 0.00 54.97 56.08 1914 s GLU 3005Cb -0.08 0.06 0.19 0.00 0.10 0.00 0.00 34.13 34.40 1914 s GLU 3005CO 0.43 -0.09 0.59 -1.14 0.02 0.00 0.00 175.26 175.07 1914 s GLN 3006N 0.60 2.87 0.39 1.61 0.74 -1.26 -2.23 119.66 122.38 1914 s GLN 3006Ca -0.04 -2.89 0.04 0.00 0.05 0.00 0.00 55.36 52.52 1914 s GLN 3006Cb -0.05 -3.82 -0.00 0.00 1.10 0.00 0.00 33.01 30.24 1914 s GLN 3006CO -0.04 -1.22 0.57 0.21 -0.55 0.00 0.00 175.29 174.26 1914 s LYS 3007N -0.68 3.06 0.00 1.67 2.20 0.41 -4.96 119.74 121.44 1914 s LYS 3007Ca 0.22 -0.80 0.00 0.00 -0.36 0.00 0.00 55.97 55.02 1914 s LYS 3007Cb -0.14 -2.70 0.00 0.00 -1.51 0.00 0.00 37.83 33.48 1914 s LYS 3007CO -0.08 -0.11 0.26 -0.11 -0.36 0.00 0.00 175.35 174.95 1914 n LEU 3008N -1.85 0.00 -0.01 5.43 7.94 -1.26 -1.01 117.00 126.24 1914 n LEU 3008Ca 0.01 -0.08 0.00 0.00 -1.11 0.00 0.00 56.01 54.83 1914 n LEU 3008Cb 0.58 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.53 1914 n LEU 3008CO 0.44 0.09 0.00 0.49 -1.11 0.00 0.00 177.39 177.31 1914 n PHE 4004N 0.00 0.00 0.00 1.96 3.72 0.63 -4.87 117.46 118.90 1914 n PHE 4004Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1914 n PHE 4004Cb 0.42 0.09 0.00 0.00 -0.94 0.00 0.00 39.48 39.05 1914 n PHE 4004CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1914 n GLN 4005N 0.00 0.00 -1.50 -1.08 10.64 -1.22 -4.52 117.38 119.70 1914 n GLN 4005Ca 0.00 0.00 -0.41 0.00 -1.83 0.00 0.00 57.00 54.76 1914 n GLN 4005Cb 0.03 0.00 0.02 0.00 -0.86 0.00 0.00 30.24 29.43 1914 n GLN 4005CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.06 175.48 1914 n THR 4006N 0.00 2.15 -0.14 -0.39 -2.24 -1.26 -3.01 114.28 109.39 1914 n THR 4006Ca 0.00 -0.50 -0.12 0.00 -2.27 0.00 0.00 64.05 61.16 1914 n THR 4006Cb 0.00 -0.75 -0.02 0.00 -2.10 0.00 0.00 70.33 67.47 1914 n THR 4006CO 0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 175.07 174.25 1914 h TRP 4007N 0.82 0.98 -0.59 4.78 2.91 -2.00 -3.10 115.95 119.74 1914 h TRP 4007Ca -0.43 -0.24 0.10 0.00 1.13 0.00 0.00 58.89 59.45 1914 h TRP 4007Cb 1.38 -0.23 -0.08 0.00 -0.51 0.00 0.00 29.16 29.73 1914 h TRP 4007CO 0.37 1.01 0.18 1.49 -1.03 0.00 0.00 178.44 180.45 1914 h GLU 4008N 0.66 0.32 -0.37 2.65 4.81 -1.90 -0.73 114.58 120.02 1914 h GLU 4008Ca 0.09 -0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 59.19 1914 h GLU 4008Cb 0.75 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.05 1914 h GLU 4008CO 0.06 0.21 -0.22 0.93 -0.73 0.00 0.00 179.01 179.26 1914 h GLU 4009N 0.33 0.72 0.35 1.92 5.08 -1.82 -2.61 114.58 118.55 1914 h GLU 4009Ca 0.31 -0.28 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 1914 h GLU 4009Cb 0.42 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1914 h GLU 4009CO -0.35 0.88 -0.17 0.35 -1.00 0.00 0.00 179.01 178.72 1914 h PHE 4010N 0.63 -0.44 -0.41 4.33 3.57 -1.23 -2.27 116.94 121.12 1914 h PHE 4010Ca 0.09 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.66 1914 h PHE 4010Cb 0.71 0.14 -0.08 0.00 2.79 0.00 0.00 35.95 39.51 1914 h PHE 4010CO 0.03 -0.19 -0.12 0.77 -2.23 0.00 0.00 178.31 176.58 1914 h SER 4011N -0.61 -0.43 -0.24 0.41 0.02 -1.09 0.23 113.55 111.84 1914 h SER 4011Ca -0.05 0.13 -0.00 0.00 -0.84 0.00 0.00 61.79 61.03 1914 h SER 4011Cb 0.44 0.27 -0.01 0.00 0.14 0.00 0.00 62.40 63.25 1914 h SER 4011CO 0.08 -0.15 0.15 0.03 -1.14 0.00 0.00 176.83 175.80 1914 h ARG 4012N -0.02 0.33 -0.14 3.45 2.47 -1.50 -1.08 114.38 117.89 1914 h ARG 4012Ca 0.20 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.89 1914 h ARG 4012Cb 0.32 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 28.57 1914 h ARG 4012CO -0.44 0.26 0.09 0.00 0.56 0.00 0.00 179.97 180.44 1914 h ALA 4013N 1.05 0.18 -0.34 0.04 0.00 -0.94 -1.83 119.26 117.43 1914 h ALA 4013Ca 0.09 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1914 h ALA 4013Cb 0.01 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1914 h ALA 4013CO -0.02 -0.33 0.08 0.00 0.00 0.00 0.00 179.25 178.98 1914 h ALA 4014N 1.04 1.50 -0.26 0.00 0.00 -0.86 -1.39 119.26 119.29 1914 h ALA 4014Ca 0.05 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 1914 h ALA 4014Cb -0.01 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 1914 h ALA 4014CO -0.01 0.37 -0.22 1.49 0.00 0.00 0.00 179.25 180.89 1914 h GLU 4015N 0.49 0.61 -0.39 0.00 4.81 -0.89 -1.14 114.58 118.08 1914 h GLU 4015Ca 0.12 -0.30 -0.12 0.00 -0.13 0.00 0.00 59.36 58.92 1914 h GLU 4015Cb 0.20 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 1914 h GLU 4015CO -0.00 0.90 -0.24 -0.22 -0.73 0.00 0.00 179.01 178.72 1914 h LYS 4016N 0.33 0.78 -0.68 1.92 3.64 -1.13 -1.50 116.57 119.94 1914 h LYS 4016Ca 0.05 -0.32 -0.01 0.00 -1.27 0.00 0.00 60.65 59.10 1914 h LYS 4016Cb 0.76 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.52 1914 h LYS 4016CO 0.06 0.94 0.38 1.25 -2.27 0.00 0.00 179.45 179.81 1914 h LEU 4017N 0.68 0.83 0.11 5.20 5.85 -1.15 -1.13 115.31 125.69 1914 h LEU 4017Ca 0.09 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 1914 h LEU 4017Cb 0.75 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.58 1914 h LEU 4017CO 0.06 0.66 -0.05 0.22 -0.34 0.00 0.00 178.44 178.99 1914 h TYR 4018N 0.94 -0.14 -0.01 1.25 3.20 -0.88 -3.25 116.97 118.09 1914 h TYR 4018Ca 0.24 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.11 1914 h TYR 4018Cb 0.01 0.04 -0.00 0.00 1.54 0.00 0.00 36.73 38.32 1914 h TYR 4018CO 0.01 0.33 0.01 -0.07 -1.64 0.00 0.00 178.16 176.80 1914 h LEU 4019N -0.69 0.00 0.55 2.82 4.07 -1.17 -2.03 115.31 118.86 1914 h LEU 4019Ca -0.01 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.93 1914 h LEU 4019Cb 0.53 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.26 1914 h LEU 4019CO 0.02 0.00 -0.36 0.00 -1.08 0.00 0.00 178.44 177.02 1914 h ALA 4020N 1.99 -0.89 -2.08 1.53 0.00 -1.23 -3.39 119.26 115.19 1914 h ALA 4020Ca 0.00 -0.17 -0.46 0.00 0.00 0.00 0.00 54.91 54.29 1914 h ALA 4020Cb 0.02 0.46 -0.33 0.00 0.00 0.00 0.00 17.79 17.94 1914 h ALA 4020CO -0.00 -1.02 -0.79 0.34 0.00 0.00 0.00 179.25 177.78 1914 s ASP 4021N -4.45 1.21 0.49 0.00 2.15 -1.12 -5.03 116.67 109.91 1914 s ASP 4021Ca -0.17 -2.25 0.27 0.00 0.43 0.00 0.00 52.55 50.82 1914 s ASP 4021Cb 0.04 0.22 1.33 0.00 -0.30 0.00 0.00 42.92 44.21 1914 s ASP 4021CO 0.62 -0.21 1.86 -0.65 -0.17 0.00 0.00 175.17 176.62 1914 h PRO 4022N 6.26 0.15 0.00 4.34 0.11 -1.59 -2.09 132.00 139.18 1914 h PRO 4022Ca 0.13 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.20 1914 h PRO 4022Cb 1.00 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.07 1914 h PRO 4022CO 0.24 0.10 -0.15 0.52 -0.21 0.00 0.00 178.00 178.50 1914 h MET 4023N 0.16 0.00 0.00 1.05 2.86 -1.92 -3.31 114.93 113.76 1914 h MET 4023Ca 0.47 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.11 1914 h MET 4023Cb 1.58 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.24 1914 h MET 4023CO -0.09 0.15 -1.18 1.63 1.06 0.00 0.00 176.91 178.49 1914 n LYS 4024N -3.19 0.57 -3.07 1.72 4.76 -0.80 -4.80 118.16 113.37 1914 n LYS 4024Ca 0.02 -0.05 -0.39 0.00 -2.87 0.00 0.00 58.31 55.02 1914 n LYS 4024Cb 0.51 -1.43 -0.06 0.00 -1.84 0.00 0.00 35.03 32.20 1914 n LYS 4024CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1914 s VAL 4025N -2.98 4.57 -0.10 -0.18 1.01 -1.17 -4.49 120.40 117.06 1914 s VAL 4025Ca 0.04 1.54 0.03 0.00 0.00 0.00 0.00 61.98 63.59 1914 s VAL 4025Cb 0.14 -4.06 -0.01 0.00 0.00 0.00 0.00 36.38 32.45 1914 s VAL 4025CO 0.81 0.49 -0.20 -0.60 0.00 0.00 0.00 175.10 175.59 1914 s ARG 4026N -0.82 3.07 -0.25 2.72 3.52 0.97 -4.51 118.95 123.64 1914 s ARG 4026Ca 0.34 -0.81 -0.08 0.00 -0.13 0.00 0.00 55.73 55.05 1914 s ARG 4026Cb -0.21 -2.39 -0.03 0.00 -1.56 0.00 0.00 34.95 30.75 1914 s ARG 4026CO 0.23 0.24 0.10 0.08 -0.81 0.00 0.00 175.30 175.14 1914 s VAL 4027N 0.23 4.61 -0.03 7.11 1.01 -0.55 -1.91 120.40 130.87 1914 s VAL 4027Ca -0.13 -0.07 0.05 0.00 0.00 0.00 0.00 61.98 61.83 1914 s VAL 4027Cb -0.16 -3.16 -0.03 0.00 0.00 0.00 0.00 36.38 33.03 1914 s VAL 4027CO 0.07 0.32 -0.17 -0.69 0.00 0.00 0.00 175.10 174.62 1914 s VAL 4028N 1.60 2.79 -0.06 2.92 1.01 0.29 -0.95 120.40 128.00 1914 s VAL 4028Ca 0.06 -0.88 0.03 0.00 0.00 0.00 0.00 61.98 61.20 1914 s VAL 4028Cb -0.15 -2.08 0.01 0.00 0.00 0.00 0.00 36.38 34.15 1914 s VAL 4028CO 0.06 0.55 -0.14 -0.76 0.00 0.00 0.00 175.10 174.81 1914 s LEU 4029N -0.80 1.75 -0.11 3.92 1.43 -0.18 -0.58 118.68 124.11 1914 s LEU 4029Ca 0.12 -0.31 -0.02 0.00 -1.03 0.00 0.00 54.13 52.89 1914 s LEU 4029Cb -0.10 -0.86 0.04 0.00 0.03 0.00 0.00 46.19 45.29 1914 s LEU 4029CO 0.01 0.07 0.00 -0.75 0.23 0.00 0.00 176.35 175.91 1914 s LYS 4030N 0.43 0.73 -0.18 1.70 2.20 0.02 -0.69 119.74 123.96 1914 s LYS 4030Ca -0.11 -0.07 -0.02 0.00 -0.36 0.00 0.00 55.97 55.41 1914 s LYS 4030Cb -0.14 -1.34 -0.01 0.00 -1.51 0.00 0.00 37.83 34.83 1914 s LYS 4030CO 0.03 -0.39 -0.09 -0.47 -0.36 0.00 0.00 175.35 174.08 1914 s TYR 4031N 1.91 2.89 -0.46 4.03 5.04 -0.56 -0.79 117.35 129.41 1914 s TYR 4031Ca 0.03 -0.87 0.04 0.00 -2.44 0.00 0.00 57.07 53.83 1914 s TYR 4031Cb -0.14 -1.99 0.12 0.00 0.35 0.00 0.00 41.96 40.31 1914 s TYR 4031CO -0.06 -0.43 0.20 0.50 -1.34 0.00 0.00 175.55 174.41 1914 s ARG 4032N 1.01 1.81 0.14 4.97 3.52 -0.44 -1.33 118.95 128.63 1914 s ARG 4032Ca -0.01 -2.39 -0.25 0.00 -0.13 0.00 0.00 55.73 52.96 1914 s ARG 4032Cb -0.15 -3.27 -0.00 0.00 -1.56 0.00 0.00 34.95 29.98 1914 s ARG 4032CO -0.01 -1.06 1.61 1.25 -0.81 0.00 0.00 175.30 176.28 1914 h HIS 4033N 6.83 -0.86 -0.94 5.12 -0.00 -1.76 0.06 115.15 123.61 1914 h HIS 4033Ca -0.07 0.04 0.11 0.00 -0.00 0.00 0.00 60.37 60.45 1914 h HIS 4033Cb 0.93 0.41 -0.07 0.00 -0.00 0.00 0.00 27.41 28.67 1914 h HIS 4033CO 0.50 -0.38 0.60 -0.24 -0.00 0.00 0.00 177.93 178.41 1914 h VAL 4034N -0.35 0.95 0.00 5.26 3.04 -1.82 -1.67 116.25 121.66 1914 h VAL 4034Ca 0.12 -0.32 0.00 0.00 -1.01 0.00 0.00 66.70 65.49 1914 h VAL 4034Cb 0.53 -0.06 0.00 0.00 -2.01 0.00 0.00 31.29 29.75 1914 h VAL 4034CO -0.39 0.17 -0.31 0.44 -1.01 0.00 0.00 177.57 176.47 1914 h ASP 4035N 0.93 0.00 -3.16 3.17 3.32 -1.85 -3.48 116.42 115.35 1914 h ASP 4035Ca 0.45 -0.03 -0.18 0.00 0.02 0.00 0.00 57.03 57.29 1914 h ASP 4035Cb 0.45 0.00 0.06 0.00 0.22 0.00 0.00 39.33 40.06 1914 h ASP 4035CO -0.21 0.02 -0.31 0.61 -1.72 0.00 0.00 179.24 177.63 1914 n GLY 4036N 1.19 0.27 2.98 2.75 0.00 -0.03 -5.04 105.19 107.31 1914 n GLY 4036Ca 0.03 -0.26 -0.12 0.00 0.00 0.00 0.00 46.02 45.68 1914 n GLY 4036CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1914 s ASN 4037N -3.13 0.42 0.04 1.61 2.20 -0.99 -4.39 114.94 110.70 1914 s ASN 4037Ca 0.26 -0.35 0.08 0.00 -0.94 0.00 0.00 52.86 51.91 1914 s ASN 4037Cb -0.12 0.04 -0.03 0.00 -2.00 0.00 0.00 41.25 39.14 1914 s ASN 4037CO 0.32 -0.16 -0.23 -0.22 -2.94 0.00 0.00 177.10 173.87 1914 s LEU 4038N -1.00 2.33 -0.03 3.54 2.96 -0.37 -1.33 118.68 124.78 1914 s LEU 4038Ca -0.08 -0.52 -0.00 0.00 -0.22 0.00 0.00 54.13 53.30 1914 s LEU 4038Cb -0.07 -1.37 0.03 0.00 0.50 0.00 0.00 46.19 45.28 1914 s LEU 4038CO -0.00 0.26 0.02 0.00 -1.32 0.00 0.00 176.35 175.31 1914 s ILE 4040N 1.23 2.49 -0.07 0.00 2.07 -0.72 -0.80 121.20 125.39 1914 s ILE 4040Ca -0.07 -0.86 0.03 0.00 -1.41 0.00 0.00 60.65 58.34 1914 s ILE 4040Cb -0.13 -2.00 0.00 0.00 0.13 0.00 0.00 42.46 40.46 1914 s ILE 4040CO -0.03 0.54 -0.17 -0.75 -1.91 0.00 0.00 174.94 172.62 1914 s LYS 4041N 0.40 2.17 -0.20 3.50 2.20 0.25 -1.16 119.74 126.89 1914 s LYS 4041Ca -0.14 -0.61 0.02 0.00 -0.36 0.00 0.00 55.97 54.87 1914 s LYS 4041Cb -0.17 -1.74 0.03 0.00 -1.51 0.00 0.00 37.83 34.44 1914 s LYS 4041CO 0.07 0.13 -0.17 0.08 -0.36 0.00 0.00 175.35 175.10 1914 s VAL 4042N 0.41 2.07 0.06 4.02 1.01 -0.27 0.11 120.40 127.81 1914 s VAL 4042Ca -0.14 -1.15 -0.05 0.00 0.00 0.00 0.00 61.98 60.64 1914 s VAL 4042Cb -0.16 -1.97 -0.02 0.00 0.00 0.00 0.00 36.38 34.23 1914 s VAL 4042CO 0.05 0.35 0.09 0.28 0.00 0.00 0.00 175.10 175.88 1914 s THR 4043N 1.24 0.16 -0.12 3.92 -1.32 -0.80 -1.69 115.64 117.03 1914 s THR 4043Ca 0.01 -1.32 0.15 0.00 -1.21 0.00 0.00 61.69 59.32 1914 s THR 4043Cb -0.15 -1.22 0.26 0.00 -1.51 0.00 0.00 72.50 69.88 1914 s THR 4043CO -0.10 -0.73 1.14 -0.90 -2.21 0.00 0.00 174.62 171.82 1914 n ASP 4044N 0.31 2.41 0.00 8.08 5.75 -1.16 -0.02 116.55 131.91 1914 n ASP 4044Ca -0.16 -2.88 0.00 0.00 -0.01 0.00 0.00 54.79 51.74 1914 n ASP 4044Cb 0.60 -0.36 0.00 0.00 -1.03 0.00 0.00 41.12 40.33 1914 n ASP 4044CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1914 n ASP 4045N -1.18 -0.67 0.00 -1.12 8.00 -1.26 -4.75 116.55 115.57 1914 n ASP 4045Ca 0.14 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.64 1914 n ASP 4045Cb 0.59 -1.00 0.00 0.00 -0.02 0.00 0.00 41.12 40.69 1914 n ASP 4045CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1914 n LEU 4046N 0.00 0.00 -4.75 0.64 0.00 -1.26 -5.02 117.00 106.61 1914 n LEU 4046Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 56.01 55.61 1914 n LEU 4046Cb 0.03 -0.06 -0.05 0.00 0.00 0.00 0.00 43.42 43.34 1914 n LEU 4046CO 0.00 -0.42 0.45 0.68 0.00 0.00 0.00 177.39 178.10 1914 s VAL 4047N -0.85 4.67 -0.02 1.96 -7.23 -1.26 -4.42 120.40 113.25 1914 s VAL 4047Ca 0.00 1.61 0.07 0.00 -1.81 0.00 0.00 61.98 61.85 1914 s VAL 4047Cb 0.00 -4.10 -0.02 0.00 0.56 0.00 0.00 36.38 32.82 1914 s VAL 4047CO 0.00 0.40 -0.23 0.00 -0.31 0.00 0.00 175.10 174.96 1914 s LEU 4049N -0.46 0.82 0.33 0.00 1.43 -0.68 -0.45 118.68 119.68 1914 s LEU 4049Ca 0.06 -0.40 0.09 0.00 -1.03 0.00 0.00 54.13 52.86 1914 s LEU 4049Cb -0.10 -0.50 -0.05 0.00 0.03 0.00 0.00 46.19 45.57 1914 s LEU 4049CO -0.00 -0.24 -0.01 0.68 0.23 0.00 0.00 176.35 177.00 1914 s VAL 4050N 1.93 2.61 -0.24 -1.59 -7.23 -0.95 -1.11 120.40 113.82 1914 s VAL 4050Ca 0.03 -2.02 -0.03 0.00 -1.81 0.00 0.00 61.98 58.14 1914 s VAL 4050Cb -0.14 -2.75 0.13 0.00 0.56 0.00 0.00 36.38 34.18 1914 s VAL 4050CO -0.07 -0.22 0.41 -0.47 -0.31 0.00 0.00 175.10 174.44 1914 s TYR 4051N -2.52 -0.90 -0.07 2.82 6.14 -0.31 -1.57 117.35 120.94 1914 s TYR 4051Ca 0.34 1.04 -0.03 0.00 0.64 0.00 0.00 57.07 59.06 1914 s TYR 4051Cb -0.00 0.12 -0.04 0.00 0.42 0.00 0.00 41.96 42.46 1914 s TYR 4051CO 0.19 -0.69 0.07 1.03 0.64 0.00 0.00 175.55 176.78 1914 s ARG 4052N 2.59 3.15 0.17 4.97 0.52 -1.03 -1.76 118.95 127.56 1914 s ARG 4052Ca 0.11 -0.34 -0.15 0.00 -0.52 0.00 0.00 55.73 54.83 1914 s ARG 4052Cb -0.15 -2.94 0.02 0.00 0.52 0.00 0.00 34.95 32.40 1914 s ARG 4052CO -0.16 0.71 0.42 0.99 0.02 0.00 0.00 175.30 177.28 1914 s THR 4053N -1.02 0.05 0.00 0.02 2.01 -0.60 -1.31 115.64 114.79 1914 s THR 4053Ca 0.17 -0.93 0.00 0.00 0.31 0.00 0.00 61.69 61.24 1914 s THR 4053Cb -0.12 -1.57 0.00 0.00 0.01 0.00 0.00 72.50 70.82 1914 s THR 4053CO 0.06 -0.22 0.21 -0.90 -0.69 0.00 0.00 174.62 173.08 1914 n ASP 4054N -0.27 0.16 -4.68 3.53 5.75 -1.26 -1.23 116.55 118.55 1914 n ASP 4054Ca -0.11 -1.04 -0.40 0.00 -0.01 0.00 0.00 54.79 53.24 1914 n ASP 4054Cb 0.63 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.66 1914 n ASP 4054CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 1914 s GLN 4055N -0.04 4.28 0.63 0.11 -1.52 -1.26 -0.44 119.66 121.41 1914 s GLN 4055Ca 0.00 0.69 0.40 0.00 -1.95 0.00 0.00 55.36 54.50 1914 s GLN 4055Cb 0.00 -3.53 2.06 0.00 -0.22 0.00 0.00 33.01 31.32 1914 s GLN 4055CO 0.00 -0.14 2.24 0.00 -0.25 0.00 0.00 175.29 177.14 1914 h ALA 4056N 7.24 1.02 0.00 6.09 0.00 -1.82 -1.40 119.26 130.39 1914 h ALA 4056Ca -0.34 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1914 h ALA 4056Cb 1.16 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1914 h ALA 4056CO 0.77 0.01 0.00 0.00 0.00 0.00 0.00 179.25 180.03 1914 n GLN 4057N -3.12 0.19 0.04 0.00 10.64 -1.26 -3.20 117.38 120.66 1914 n GLN 4057Ca -0.02 0.24 0.11 0.00 -1.83 0.00 0.00 57.00 55.51 1914 n GLN 4057Cb 0.15 -1.75 0.02 0.00 -0.86 0.00 0.00 30.24 27.80 1914 n GLN 4057CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 1914 n ASP 4058N -2.09 0.61 -0.05 2.61 8.00 -0.53 -4.40 116.55 120.71 1914 n ASP 4058Ca 0.05 -0.06 -0.08 0.00 0.71 0.00 0.00 54.79 55.41 1914 n ASP 4058Cb 0.34 0.76 -0.01 0.00 -0.02 0.00 0.00 41.12 42.19 1914 n ASP 4058CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1914 h VAL 4059N 0.00 0.55 -0.25 2.53 2.07 -1.64 -2.39 116.25 117.12 1914 h VAL 4059Ca 0.00 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.58 1914 h VAL 4059Cb 0.80 0.55 -0.07 0.00 -1.52 0.00 0.00 31.29 31.06 1914 h VAL 4059CO 0.00 0.00 -0.19 0.50 0.02 0.00 0.00 177.57 177.90 1914 h LYS 4060N -0.14 -0.18 -0.09 1.57 3.64 -1.79 -0.18 116.57 119.40 1914 h LYS 4060Ca 0.13 0.01 -0.14 0.00 -1.27 0.00 0.00 60.65 59.39 1914 h LYS 4060Cb 0.34 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 1914 h LYS 4060CO -0.32 -0.12 -0.54 1.57 -2.27 0.00 0.00 179.45 177.76 1914 h LYS 4061N -0.19 0.26 -0.11 1.90 2.10 -1.79 -0.10 116.57 118.65 1914 h LYS 4061Ca 0.14 -0.16 -0.11 0.00 -2.00 0.00 0.00 60.65 58.52 1914 h LYS 4061Cb 0.40 0.02 -0.01 0.00 -0.90 0.00 0.00 32.23 31.74 1914 h LYS 4061CO -0.37 0.74 -0.44 0.82 -2.00 0.00 0.00 179.45 178.21 1914 h ILE 4062N 0.20 1.32 0.01 0.07 2.04 -1.14 -1.17 117.51 118.84 1914 h ILE 4062Ca 0.00 -1.59 -0.02 0.00 1.00 0.00 0.00 64.86 64.25 1914 h ILE 4062Cb 1.02 1.72 0.00 0.00 -0.74 0.00 0.00 36.82 38.82 1914 h ILE 4062CO 0.09 0.48 -0.10 1.05 0.00 0.00 0.00 178.15 179.67 1914 h GLU 4063N 0.22 0.05 -0.73 2.37 -0.00 -0.82 -2.72 114.58 112.96 1914 h GLU 4063Ca 0.02 -0.07 0.10 0.00 -0.00 0.00 0.00 59.36 59.41 1914 h GLU 4063Cb 0.87 0.02 -0.05 0.00 -0.00 0.00 0.00 28.75 29.59 1914 h GLU 4063CO 0.07 0.90 0.48 0.87 -0.00 0.00 0.00 179.01 181.33 1914 h LYS 4064N -0.76 0.59 0.25 1.06 1.57 -0.96 0.46 116.57 118.78 1914 h LYS 4064Ca -0.01 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 1914 h LYS 4064Cb 0.94 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.12 1914 h LYS 4064CO 0.02 0.39 -0.12 0.35 -0.57 0.00 0.00 179.45 179.52 1914 h PHE 4065N 0.60 -0.31 -0.87 -1.35 3.57 -1.28 -1.43 116.94 115.87 1914 h PHE 4065Ca 0.34 -0.01 0.15 0.00 3.53 0.00 0.00 57.97 61.98 1914 h PHE 4065Cb 0.51 0.10 -0.09 0.00 2.79 0.00 0.00 35.95 39.26 1914 h PHE 4065CO -0.00 0.06 0.46 1.25 -2.23 0.00 0.00 178.31 177.85 1914 h HIS 4066N -0.85 0.81 -0.20 0.41 2.76 -1.20 -1.32 115.15 115.55 1914 h HIS 4066Ca -0.03 0.03 -0.11 0.00 -2.20 0.00 0.00 60.37 58.06 1914 h HIS 4066Cb 0.51 -0.23 -0.01 0.00 1.55 0.00 0.00 27.41 29.23 1914 h HIS 4066CO 0.05 0.20 -0.34 0.77 -1.30 0.00 0.00 177.93 177.31 1914 h SER 4067N 0.65 0.44 -0.38 3.26 0.02 -0.90 -2.78 113.55 113.86 1914 h SER 4067Ca 0.47 -0.17 -0.15 0.00 -0.84 0.00 0.00 61.79 61.10 1914 h SER 4067Cb 0.67 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.08 1914 h SER 4067CO -0.36 0.75 -0.35 -0.61 -1.14 0.00 0.00 176.83 175.12 1914 h GLN 4068N 0.37 0.93 -0.91 3.45 4.15 -0.29 -2.52 115.11 120.28 1914 h GLN 4068Ca 0.04 -0.47 0.09 0.00 0.77 0.00 0.00 58.65 59.09 1914 h GLN 4068Cb 0.77 0.01 -0.07 0.00 0.21 0.00 0.00 27.48 28.40 1914 h GLN 4068CO 0.06 1.13 0.59 -0.07 -1.93 0.00 0.00 178.83 178.60 1914 h LEU 4069N 0.77 0.84 -1.00 -2.39 3.38 -1.16 -1.77 115.31 113.97 1914 h LEU 4069Ca 0.07 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.07 1914 h LEU 4069Cb 0.94 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.49 1914 h LEU 4069CO 0.09 0.50 0.65 -0.03 0.09 0.00 0.00 178.44 179.74 1914 h MET 4070N 0.93 1.32 -0.10 1.13 4.05 -1.21 -0.78 114.93 120.28 1914 h MET 4070Ca 0.42 -0.09 -0.10 0.00 -0.28 0.00 0.00 59.70 59.65 1914 h MET 4070Cb 0.37 -0.29 -0.01 0.00 -0.80 0.00 0.00 31.60 30.86 1914 h MET 4070CO -0.18 0.88 -0.38 0.00 0.23 0.00 0.00 176.91 177.46 1914 h ARG 4071N 1.36 0.21 -0.28 0.39 3.08 -0.93 -2.22 114.38 115.98 1914 h ARG 4071Ca 0.36 -0.09 -0.18 0.00 0.07 0.00 0.00 59.98 60.14 1914 h ARG 4071Cb -0.14 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 29.90 1914 h ARG 4071CO -0.08 0.56 -0.54 -0.07 -1.07 0.00 0.00 179.97 178.77 1914 h LEU 4072N 0.18 0.92 -1.03 3.04 3.38 -0.50 -0.62 115.31 120.68 1914 h LEU 4072Ca 0.02 -0.49 -0.02 0.00 0.09 0.00 0.00 57.88 57.48 1914 h LEU 4072Cb 0.76 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.20 1914 h LEU 4072CO 0.06 1.28 0.44 0.24 0.09 0.00 0.00 178.44 180.55 1914 h MET 4073N 0.64 1.12 0.00 1.13 2.86 -0.98 -3.06 114.93 116.63 1914 h MET 4073Ca 0.02 -0.13 -0.24 0.00 -2.06 0.00 0.00 59.70 57.29 1914 h MET 4073Cb 1.14 -0.22 -0.04 0.00 0.06 0.00 0.00 31.60 32.54 1914 h MET 4073CO 0.12 0.82 -1.44 0.28 1.06 0.00 0.00 176.91 177.75 1914 h VAL 4074N 1.13 0.93 -2.30 -2.22 2.07 -1.38 -3.39 116.25 111.09 1914 h VAL 4074Ca 0.28 -2.65 -0.62 0.00 0.82 0.00 0.00 66.70 64.53 1914 h VAL 4074Cb 0.03 2.41 0.09 0.00 -1.52 0.00 0.00 31.29 32.30 1914 h VAL 4074CO -0.05 0.53 0.33 0.00 0.02 0.00 0.00 177.57 178.41 1914 n ALA 4075N -2.46 -0.08 -2.60 1.67 0.00 -0.24 -4.29 120.51 112.50 1914 n ALA 4075Ca -0.11 0.43 -0.37 0.00 0.00 0.00 0.00 53.44 53.39 1914 n ALA 4075Cb 0.97 -2.10 -0.06 0.00 0.00 0.00 0.00 19.45 18.26 1914 n ALA 4075CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1914 s LYS 4076N -0.71 3.77 -0.12 0.00 2.47 -1.26 -4.95 119.74 118.95 1914 s LYS 4076Ca 0.68 0.22 0.02 0.00 -1.56 0.00 0.00 55.97 55.34 1914 s LYS 4076Cb -0.75 -3.14 -0.00 0.00 -1.46 0.00 0.00 37.83 32.48 1914 s LYS 4076CO 0.54 0.66 -0.20 -2.00 0.16 0.00 0.00 175.35 174.51 1914 s GLU 4077N -1.38 3.14 -1.04 4.03 2.12 -1.26 -5.04 118.70 119.28 1914 s GLU 4077Ca 0.26 -0.82 -0.23 0.00 0.36 0.00 0.00 54.97 54.54 1914 s GLU 4077Cb -0.15 -2.43 -0.03 0.00 0.26 0.00 0.00 34.13 31.78 1914 s GLU 4077CO 0.14 0.15 1.85 -1.12 -0.54 0.00 0.00 175.26 175.73 1914 s SER 4078N 0.45 5.47 0.36 -1.70 0.01 -1.26 -4.92 113.70 112.12 1914 s SER 4078Ca -0.14 -1.27 -0.27 0.00 1.31 0.00 0.00 55.95 55.58 1914 s SER 4078Cb -0.17 -2.57 -0.09 0.00 0.21 0.00 0.00 66.02 63.40 1914 s SER 4078CO 0.06 -2.52 1.18 -0.60 0.41 0.00 0.00 173.24 171.77 1914 s ARG 4079N 6.28 4.26 -0.89 12.44 6.06 -1.26 -4.98 118.95 140.85 1914 s ARG 4079Ca 0.64 1.90 -0.03 0.00 -2.50 0.00 0.00 55.73 55.75 1914 s ARG 4079Cb -0.03 -2.88 0.22 0.00 0.06 0.00 0.00 34.95 32.33 1914 s ARG 4079CO 0.03 -0.16 2.24 0.27 -2.50 0.00 0.00 175.30 175.18 1914 n ASN 4080N 0.49 7.33 0.00 -2.12 6.94 -1.26 -5.24 115.26 121.40 1914 n ASN 4080Ca 0.02 -3.50 0.09 0.00 -0.02 0.00 0.00 54.58 51.17 1914 n ASN 4080Cb 0.45 -1.20 0.50 0.00 -2.36 0.00 0.00 39.78 37.18 1914 n ASN 4080CO 0.00 0.00 0.00 0.55 -1.03 0.00 0.00 177.26 176.78