#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pj3 n LYS 2022N 0.00 1.41 -3.42 9.51 4.76 -1.26 -4.98 118.16 124.18 1pj3 n LYS 2022Ca 0.00 -0.23 -0.35 0.00 -2.87 0.00 0.00 58.31 54.86 1pj3 n LYS 2022Cb 0.00 -1.31 -0.06 0.00 -1.84 0.00 0.00 35.03 31.82 1pj3 n LYS 2022CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 1pj3 s GLU 2023N -2.47 3.92 0.19 1.97 2.56 -1.26 -5.10 118.70 118.51 1pj3 s GLU 2023Ca 0.09 0.40 -0.00 0.00 0.00 0.00 0.00 54.97 55.46 1pj3 s GLU 2023Cb 0.13 -2.94 -0.04 0.00 2.00 0.00 0.00 34.13 33.28 1pj3 s GLU 2023CO 0.64 0.50 0.09 -1.59 -0.56 0.00 0.00 175.26 174.33 1pj3 s LYS 2024N -1.97 1.15 1.58 4.30 -2.85 -1.26 -4.81 119.74 115.88 1pj3 s LYS 2024Ca 0.37 -1.59 0.00 0.00 -1.00 0.00 0.00 55.97 53.75 1pj3 s LYS 2024Cb -0.15 0.11 0.00 0.00 -2.06 0.00 0.00 37.83 35.73 1pj3 s LYS 2024CO 0.19 -0.31 0.00 0.41 0.10 0.00 0.00 175.35 175.74 1pj3 n GLY 2025N -0.25 -1.50 0.30 0.59 0.00 0.70 -4.07 105.19 100.96 1pj3 n GLY 2025Ca -0.01 -1.27 0.30 0.00 0.00 0.00 0.00 46.02 45.03 1pj3 n GLY 2025CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1pj3 n LYS 2026N -0.36 -0.06 -0.01 1.61 3.00 -1.26 -0.25 118.16 120.83 1pj3 n LYS 2026Ca 0.00 1.30 0.20 0.00 -0.00 0.00 0.00 58.31 59.81 1pj3 n LYS 2026Cb 0.00 -2.34 0.68 0.00 0.00 0.00 0.00 35.03 33.38 1pj3 n LYS 2026CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.40 176.05 1pj3 h PRO 2027N 0.00 0.02 -0.88 1.64 0.11 -1.98 -2.08 132.00 128.83 1pj3 h PRO 2027Ca 0.80 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.91 1pj3 h PRO 2027Cb 2.11 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 33.22 1pj3 h PRO 2027CO -0.73 0.01 0.00 1.28 -0.21 0.00 0.00 178.00 178.35 1pj3 n LEU 2028N -4.38 0.36 0.00 2.35 4.77 0.65 -2.35 117.00 118.41 1pj3 n LEU 2028Ca 0.10 -0.18 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 1pj3 n LEU 2028Cb 0.61 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 1pj3 n LEU 2028CO 0.37 0.07 0.00 0.18 -1.33 0.00 0.00 177.39 176.68 1pj3 n LEU 2030N 0.61 0.00 -4.52 2.23 4.77 -0.78 -2.43 117.00 116.88 1pj3 n LEU 2030Ca 0.00 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.56 1pj3 n LEU 2030Cb 0.07 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.07 1pj3 n LEU 2030CO 0.00 0.00 0.07 0.21 -1.33 0.00 0.00 177.39 176.34 1pj3 s ASN 2031N 0.00 6.19 0.60 -1.43 3.84 -0.99 -4.95 114.94 118.20 1pj3 s ASN 2031Ca 0.00 -0.40 0.30 0.00 0.21 0.00 0.00 52.86 52.97 1pj3 s ASN 2031Cb 0.00 -2.21 1.71 0.00 -0.55 0.00 0.00 41.25 40.20 1pj3 s ASN 2031CO 0.00 -0.44 2.11 1.55 -2.79 0.00 0.00 177.10 177.53 1pj3 h PRO 2032N 8.56 0.00 -0.51 0.43 0.13 -1.80 0.29 132.00 139.11 1pj3 h PRO 2032Ca -0.28 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.82 1pj3 h PRO 2032Cb 1.13 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.24 1pj3 h PRO 2032CO 0.74 0.00 0.20 -0.09 -0.23 0.00 0.00 178.00 178.61 1pj3 h ARG 2033N 0.00 0.73 0.00 0.86 9.65 -1.89 0.19 114.38 123.92 1pj3 h ARG 2033Ca 0.08 -0.11 -0.07 0.00 -1.10 0.00 0.00 59.98 58.78 1pj3 h ARG 2033Cb 0.46 -0.13 -0.01 0.00 -1.39 0.00 0.00 29.97 28.90 1pj3 h ARG 2033CO -0.00 0.60 -1.67 0.25 2.80 0.00 0.00 179.97 181.95 1pj3 n THR 2034N -4.34 0.26 -1.70 0.20 -2.24 -0.46 -4.77 114.28 101.23 1pj3 n THR 2034Ca 0.04 -0.37 -0.42 0.00 -2.27 0.00 0.00 64.05 61.03 1pj3 n THR 2034Cb 0.16 -0.08 -0.03 0.00 -2.10 0.00 0.00 70.33 68.28 1pj3 n THR 2034CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1pj3 n ASN 2035N -2.11 4.09 -0.24 3.42 5.15 -0.04 -4.88 115.26 120.66 1pj3 n ASN 2035Ca -0.08 1.00 0.04 0.00 -0.60 0.00 0.00 54.58 54.94 1pj3 n ASN 2035Cb 0.51 -1.56 0.01 0.00 -0.53 0.00 0.00 39.78 38.22 1pj3 n ASN 2035CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1pj3 n LYS 2036N 5.35 1.26 0.00 1.20 5.02 -1.26 -4.57 118.16 125.17 1pj3 n LYS 2036Ca 0.18 -0.73 0.00 0.00 -2.02 0.00 0.00 58.31 55.74 1pj3 n LYS 2036Cb 0.37 -1.07 0.00 0.00 -0.02 0.00 0.00 35.03 34.31 1pj3 n LYS 2036CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pj3 n GLY 2037N 0.63 0.09 3.76 0.72 0.00 -1.26 -4.17 105.19 104.97 1pj3 n GLY 2037Ca 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1pj3 n GLY 2037CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pj3 n ALA 2039N 0.00 0.00 -1.98 4.61 0.00 -1.26 -4.95 120.51 116.93 1pj3 n ALA 2039Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 1pj3 n ALA 2039Cb 0.00 -0.48 -0.03 0.00 0.00 0.00 0.00 19.45 18.95 1pj3 n ALA 2039CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1pj3 s PHE 2040N -0.63 2.55 0.84 0.00 0.40 -1.26 -4.83 117.98 115.05 1pj3 s PHE 2040Ca 0.00 0.43 -0.11 0.00 -0.60 0.00 0.00 56.93 56.65 1pj3 s PHE 2040Cb 0.00 -3.91 0.10 0.00 0.51 0.00 0.00 43.02 39.72 1pj3 s PHE 2040CO 0.00 -3.59 1.10 0.95 0.70 0.00 0.00 175.22 174.37 1pj3 s THR 2041N 2.47 2.89 0.23 0.64 -4.23 -1.26 -4.77 115.64 111.61 1pj3 s THR 2041Ca 0.72 0.29 -0.06 0.00 -1.18 0.00 0.00 61.69 61.46 1pj3 s THR 2041Cb -0.39 -2.68 0.19 0.00 1.34 0.00 0.00 72.50 70.97 1pj3 s THR 2041CO 0.31 -0.38 1.78 0.25 -0.54 0.00 0.00 174.62 176.05 1pj3 h LEU 2042N -1.42 0.50 -0.73 4.79 5.85 -1.99 -1.03 115.31 121.28 1pj3 h LEU 2042Ca -0.46 0.06 -0.12 0.00 0.84 0.00 0.00 57.88 58.21 1pj3 h LEU 2042Cb 1.25 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.25 1pj3 h LEU 2042CO 0.50 0.28 -0.30 -0.61 -0.34 0.00 0.00 178.44 177.98 1pj3 h GLN 2043N 0.64 0.64 -0.53 1.25 4.15 -2.00 -2.30 115.11 116.97 1pj3 h GLN 2043Ca 0.37 -0.28 -0.06 0.00 0.77 0.00 0.00 58.65 59.46 1pj3 h GLN 2043Cb 0.39 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.04 1pj3 h GLN 2043CO -0.27 0.86 0.11 0.93 -1.93 0.00 0.00 178.83 178.53 1pj3 h GLU 2044N 0.55 0.85 -0.45 1.69 5.08 -1.71 -3.02 114.58 117.57 1pj3 h GLU 2044Ca 0.07 -0.22 -0.02 0.00 -1.00 0.00 0.00 59.36 58.20 1pj3 h GLU 2044Cb 0.78 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.91 1pj3 h GLU 2044CO 0.06 0.82 0.22 0.00 -1.00 0.00 0.00 179.01 179.12 1pj3 h ARG 2045N 0.74 0.65 -0.75 2.33 3.08 -1.03 0.63 114.38 120.03 1pj3 h ARG 2045Ca 0.16 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 60.12 1pj3 h ARG 2045Cb 0.37 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.30 1pj3 h ARG 2045CO 0.01 0.55 0.00 1.04 -1.07 0.00 0.00 179.97 180.50 1pj3 n GLN 2046N -4.65 0.42 0.00 0.04 6.02 -0.88 -0.30 117.38 118.03 1pj3 n GLN 2046Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.00 1pj3 n GLN 2046Cb 0.11 -1.23 0.00 0.00 1.02 0.00 0.00 30.24 30.14 1pj3 n GLN 2046CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1pj3 n LEU 2048N 0.43 0.00 -1.84 1.08 4.77 0.21 -4.75 117.00 116.90 1pj3 n LEU 2048Ca 0.00 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.84 1pj3 n LEU 2048Cb 0.13 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.24 1pj3 n LEU 2048CO 0.00 0.00 -0.04 0.61 -1.33 0.00 0.00 177.39 176.63 1pj3 n GLY 2049N 0.00 -0.09 0.13 -0.72 0.00 -0.91 -0.21 105.19 103.39 1pj3 n GLY 2049Ca 0.00 -0.25 0.07 0.00 0.00 0.00 0.00 46.02 45.84 1pj3 n GLY 2049CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pj3 n LEU 2050N -2.42 1.00 -4.69 0.99 4.77 0.59 -4.44 117.00 112.80 1pj3 n LEU 2050Ca -0.09 -0.61 -0.44 0.00 -0.03 0.00 0.00 56.01 54.84 1pj3 n LEU 2050Cb 0.59 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.64 1pj3 n LEU 2050CO 0.27 0.21 1.38 1.67 -1.33 0.00 0.00 177.39 179.59 1pj3 n GLN 2051N -0.86 2.54 0.00 3.23 -0.06 -1.02 -1.01 117.38 120.20 1pj3 n GLN 2051Ca 0.04 0.92 0.00 0.00 -2.00 0.00 0.00 57.00 55.96 1pj3 n GLN 2051Cb 0.25 -2.77 0.00 0.00 -4.06 0.00 0.00 30.24 23.66 1pj3 n GLN 2051CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1pj3 n GLY 2052N 3.98 3.31 0.06 1.69 0.00 -1.26 -4.84 105.19 108.14 1pj3 n GLY 2052Ca 0.18 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.33 1pj3 n GLY 2052CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pj3 n LEU 2053N 0.00 0.52 -4.29 0.99 4.77 -0.18 -4.85 117.00 113.96 1pj3 n LEU 2053Ca 0.00 0.03 -0.20 0.00 -0.03 0.00 0.00 56.01 55.81 1pj3 n LEU 2053Cb 0.00 -0.25 -0.11 0.00 -2.33 0.00 0.00 43.42 40.72 1pj3 n LEU 2053CO 0.00 0.11 -0.47 -0.76 -1.33 0.00 0.00 177.39 174.95 1pj3 s LEU 2054N -2.83 2.43 0.78 2.23 1.43 -1.24 -5.13 118.68 116.35 1pj3 s LEU 2054Ca 0.17 -0.85 -0.14 0.00 -1.03 0.00 0.00 54.13 52.28 1pj3 s LEU 2054Cb 0.18 -0.70 0.07 0.00 0.03 0.00 0.00 46.19 45.77 1pj3 s LEU 2054CO 0.61 -0.09 1.21 -2.84 0.23 0.00 0.00 176.35 175.47 1pj3 s PRO 2055N -2.78 1.79 0.44 1.29 0.02 -1.26 -4.85 135.00 129.65 1pj3 s PRO 2055Ca 0.13 1.78 0.30 0.00 0.02 0.00 0.00 61.00 63.23 1pj3 s PRO 2055Cb -0.05 -1.79 1.61 0.00 0.02 0.00 0.00 34.50 34.29 1pj3 s PRO 2055CO 0.05 -2.11 1.91 -1.35 -0.33 0.00 0.00 177.00 175.17 1pj3 h PRO 2056N -0.69 0.00 -6.69 5.54 0.11 -2.00 -3.43 132.00 124.84 1pj3 h PRO 2056Ca -0.47 0.00 -0.52 0.00 0.11 0.00 0.00 66.00 65.12 1pj3 h PRO 2056Cb 1.30 0.00 0.04 0.00 0.11 0.00 0.00 31.00 32.45 1pj3 h PRO 2056CO 0.47 0.00 0.68 0.21 -0.21 0.00 0.00 178.00 179.15 1pj3 s LYS 2057N -3.75 4.36 -0.28 1.05 2.47 -1.26 -5.02 119.74 117.31 1pj3 s LYS 2057Ca -0.03 2.10 -0.07 0.00 -1.56 0.00 0.00 55.97 56.41 1pj3 s LYS 2057Cb 0.09 -3.18 -0.00 0.00 -1.46 0.00 0.00 37.83 33.27 1pj3 s LYS 2057CO 0.27 -0.29 0.07 0.42 0.16 0.00 0.00 175.35 175.98 1pj3 s ILE 2058N 0.13 4.06 0.42 5.43 1.09 -1.26 -4.83 121.20 126.24 1pj3 s ILE 2058Ca 0.58 -0.50 0.08 0.00 -1.10 0.00 0.00 60.65 59.70 1pj3 s ILE 2058Cb -0.38 -3.02 -0.03 0.00 -1.06 0.00 0.00 42.46 37.98 1pj3 s ILE 2058CO 0.39 0.18 0.33 -1.61 -0.10 0.00 0.00 174.94 174.13 1pj3 s GLU 2059N 1.54 2.45 0.34 2.79 2.02 -1.26 -4.98 118.70 121.59 1pj3 s GLU 2059Ca 0.04 -1.63 0.08 0.00 0.02 0.00 0.00 54.97 53.49 1pj3 s GLU 2059Cb -0.16 -2.27 -0.04 0.00 0.10 0.00 0.00 34.13 31.76 1pj3 s GLU 2059CO 0.03 -0.18 0.15 0.95 0.02 0.00 0.00 175.26 176.22 1pj3 s THR 2060N -2.51 3.09 0.41 3.63 -4.23 -1.26 -4.10 115.64 110.66 1pj3 s THR 2060Ca 0.46 -1.68 0.17 0.00 -1.18 0.00 0.00 61.69 59.46 1pj3 s THR 2060Cb -0.01 -2.99 0.18 0.00 1.34 0.00 0.00 72.50 71.01 1pj3 s THR 2060CO 0.26 -0.19 1.95 -0.61 -0.54 0.00 0.00 174.62 175.50 1pj3 h GLN 2061N 1.54 0.00 -0.73 3.99 4.15 -1.97 -2.43 115.11 119.66 1pj3 h GLN 2061Ca -0.44 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 58.94 1pj3 h GLN 2061Cb 1.25 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.91 1pj3 h GLN 2061CO 0.63 0.23 0.30 -0.44 -1.93 0.00 0.00 178.83 177.62 1pj3 h ASP 2062N 0.00 0.98 -0.48 -0.69 3.32 -1.99 0.02 116.42 117.59 1pj3 h ASP 2062Ca -0.00 -0.14 -0.10 0.00 0.02 0.00 0.00 57.03 56.81 1pj3 h ASP 2062Cb 0.44 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 1pj3 h ASP 2062CO 0.03 0.86 -0.10 0.40 -1.72 0.00 0.00 179.24 178.71 1pj3 h ILE 2063N 1.05 1.27 -0.69 0.35 1.08 -1.84 -1.76 117.51 116.97 1pj3 h ILE 2063Ca 0.25 -1.23 -0.06 0.00 -0.39 0.00 0.00 64.86 63.42 1pj3 h ILE 2063Cb 0.18 1.08 -0.03 0.00 -3.07 0.00 0.00 36.82 34.98 1pj3 h ILE 2063CO -0.02 0.42 0.18 1.56 -0.69 0.00 0.00 178.15 179.60 1pj3 h GLN 2064N 0.76 1.09 -0.70 2.37 4.20 -1.22 -1.85 115.11 119.77 1pj3 h GLN 2064Ca 0.12 -0.26 -0.06 0.00 0.06 0.00 0.00 58.65 58.52 1pj3 h GLN 2064Cb 0.65 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 28.25 1pj3 h GLN 2064CO 0.04 0.96 0.22 0.00 -0.67 0.00 0.00 178.83 179.39 1pj3 h ALA 2065N 1.08 1.06 -0.58 3.87 0.00 -0.81 -2.16 119.26 121.72 1pj3 h ALA 2065Ca 0.22 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1pj3 h ALA 2065Cb 0.35 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1pj3 h ALA 2065CO 0.00 0.64 0.25 1.25 0.00 0.00 0.00 179.25 181.39 1pj3 h LEU 2066N 1.04 0.78 -0.38 0.00 5.85 -0.96 -1.71 115.31 119.94 1pj3 h LEU 2066Ca 0.23 -0.15 0.05 0.00 0.84 0.00 0.00 57.88 58.84 1pj3 h LEU 2066Cb 0.29 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.08 1pj3 h LEU 2066CO -0.01 0.72 0.13 -0.09 -0.34 0.00 0.00 178.44 178.85 1pj3 h ARG 2067N 0.80 0.27 0.34 1.25 2.43 -1.00 -0.34 114.38 118.13 1pj3 h ARG 2067Ca 0.20 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.35 1pj3 h ARG 2067Cb 0.17 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.64 1pj3 h ARG 2067CO -0.02 0.18 -0.30 0.35 -1.51 0.00 0.00 179.97 178.67 1pj3 h PHE 2068N 0.28 -0.80 -0.41 2.20 3.57 -0.92 -1.70 116.94 119.16 1pj3 h PHE 2068Ca 0.17 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.67 1pj3 h PHE 2068Cb 0.16 0.31 -0.02 0.00 2.79 0.00 0.00 35.95 39.18 1pj3 h PHE 2068CO -0.15 -0.44 0.24 0.45 -2.23 0.00 0.00 178.31 176.18 1pj3 h HIS 2069N -0.66 0.53 -0.03 0.41 3.86 -1.13 0.19 115.15 118.32 1pj3 h HIS 2069Ca -0.02 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.20 1pj3 h HIS 2069Cb 0.59 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 28.87 1pj3 h HIS 2069CO -0.16 0.36 -0.03 -0.09 0.86 0.00 0.00 177.93 178.86 1pj3 h ARG 2070N 0.56 -0.04 -0.45 2.45 9.65 -0.68 -1.24 114.38 124.62 1pj3 h ARG 2070Ca 0.15 0.00 -0.14 0.00 -1.10 0.00 0.00 59.98 58.89 1pj3 h ARG 2070Cb -0.01 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.57 1pj3 h ARG 2070CO -0.03 -0.03 -0.26 -0.91 2.80 0.00 0.00 179.97 181.55 1pj3 h ASN 2071N -0.04 1.00 -0.80 -3.80 2.35 -0.54 -3.20 115.58 110.55 1pj3 h ASN 2071Ca 0.02 -0.42 -0.01 0.00 -0.55 0.00 0.00 56.30 55.35 1pj3 h ASN 2071Cb 0.07 -0.28 -0.04 0.00 0.05 0.00 0.00 38.32 38.13 1pj3 h ASN 2071CO -0.05 1.20 0.47 0.25 -1.65 0.00 0.00 177.43 177.65 1pj3 h LEU 2072N 0.81 0.98 -0.85 1.61 5.85 -0.46 -2.74 115.31 120.51 1pj3 h LEU 2072Ca 0.09 -0.08 0.12 0.00 0.84 0.00 0.00 57.88 58.85 1pj3 h LEU 2072Cb 0.84 -0.25 -0.08 0.00 0.37 0.00 0.00 40.66 41.54 1pj3 h LEU 2072CO 0.07 0.77 0.47 0.50 -0.34 0.00 0.00 178.44 179.92 1pj3 h LYS 2073N 1.10 0.72 -3.68 1.25 1.63 -1.22 -3.45 116.57 112.92 1pj3 h LYS 2073Ca 0.29 -0.04 -0.60 0.00 -0.85 0.00 0.00 60.65 59.44 1pj3 h LYS 2073Cb -0.01 -0.16 0.01 0.00 -0.60 0.00 0.00 32.23 31.47 1pj3 h LYS 2073CO -0.05 0.47 3.04 1.63 -3.45 0.00 0.00 179.45 181.09 1pj3 n LYS 2074N -4.79 2.62 0.15 1.90 5.02 -1.04 -5.13 118.16 116.88 1pj3 n LYS 2074Ca 0.15 -2.04 0.00 0.00 -2.02 0.00 0.00 58.31 54.40 1pj3 n LYS 2074Cb 0.35 -2.87 0.00 0.00 -0.02 0.00 0.00 35.03 32.49 1pj3 n LYS 2074CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1pj3 n THR 2076N 4.64 0.00 -3.21 -0.18 -2.24 -1.26 -5.14 114.28 106.89 1pj3 n THR 2076Ca 0.57 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 62.04 1pj3 n THR 2076Cb 0.28 -0.45 -0.05 0.00 -2.10 0.00 0.00 70.33 68.01 1pj3 n THR 2076CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1pj3 s SER 2077N -4.82 6.65 0.18 3.42 1.04 -1.26 -5.00 113.70 113.92 1pj3 s SER 2077Ca 0.00 1.08 -0.13 0.00 0.48 0.00 0.00 55.95 57.38 1pj3 s SER 2077Cb 0.00 -2.29 0.11 0.00 0.10 0.00 0.00 66.02 63.93 1pj3 s SER 2077CO 0.00 -0.19 1.84 -0.65 0.98 0.00 0.00 173.24 175.22 1pj3 h PRO 2078N 2.14 0.72 -0.51 4.02 0.11 -2.00 -2.35 132.00 134.13 1pj3 h PRO 2078Ca -0.47 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.55 1pj3 h PRO 2078Cb 1.18 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.10 1pj3 h PRO 2078CO 0.67 0.48 0.15 1.25 -0.21 0.00 0.00 178.00 180.33 1pj3 h LEU 2079N 0.74 0.70 -0.94 2.35 5.85 -1.94 0.61 115.31 122.69 1pj3 h LEU 2079Ca 0.22 -0.11 -0.05 0.00 0.84 0.00 0.00 57.88 58.78 1pj3 h LEU 2079Cb -0.04 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.78 1pj3 h LEU 2079CO -0.07 0.68 0.21 -0.08 -0.34 0.00 0.00 178.44 178.83 1pj3 h GLU 2080N 0.75 0.98 -0.30 1.25 4.81 -1.85 -0.98 114.58 119.24 1pj3 h GLU 2080Ca 0.17 -0.19 -0.13 0.00 -0.13 0.00 0.00 59.36 59.08 1pj3 h GLU 2080Cb 0.23 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 1pj3 h GLU 2080CO -0.01 0.84 -0.34 0.87 -0.73 0.00 0.00 179.01 179.64 1pj3 h LYS 2081N 0.95 0.66 -0.32 1.92 1.57 -0.81 -1.93 116.57 118.61 1pj3 h LYS 2081Ca 0.21 -0.31 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 1pj3 h LYS 2081Cb 0.26 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 1pj3 h LYS 2081CO -0.01 0.91 0.16 -0.92 -0.57 0.00 0.00 179.45 179.01 1pj3 h TYR 2082N 0.55 0.46 -0.52 -1.35 3.20 -0.23 -0.63 116.97 118.46 1pj3 h TYR 2082Ca 0.06 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 1pj3 h TYR 2082Cb 0.85 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.96 1pj3 h TYR 2082CO 0.04 0.40 0.28 0.82 -1.64 0.00 0.00 178.16 178.06 1pj3 h ILE 2083N 0.38 1.18 0.60 1.81 1.08 -1.09 -3.18 117.51 118.29 1pj3 h ILE 2083Ca 0.11 -0.46 -0.03 0.00 -0.39 0.00 0.00 64.86 64.09 1pj3 h ILE 2083Cb 0.12 0.54 0.01 0.00 -3.07 0.00 0.00 36.82 34.42 1pj3 h ILE 2083CO -0.01 0.19 -0.29 0.22 -0.69 0.00 0.00 178.15 177.57 1pj3 h TYR 2084N 0.69 -0.74 0.00 1.37 3.20 -1.15 -1.65 116.97 118.69 1pj3 h TYR 2084Ca 0.18 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.03 1pj3 h TYR 2084Cb 0.06 0.25 0.00 0.00 1.54 0.00 0.00 36.73 38.58 1pj3 h TYR 2084CO -0.01 -0.42 0.00 0.44 -1.64 0.00 0.00 178.16 176.53 1pj3 n ILE 2085N -5.39 0.37 0.00 1.81 -6.64 -0.26 -2.65 119.36 106.60 1pj3 n ILE 2085Ca -0.12 -0.03 0.00 0.00 -1.77 0.00 0.00 62.75 60.83 1pj3 n ILE 2085Cb 0.35 -0.75 0.00 0.00 -1.44 0.00 0.00 39.64 37.79 1pj3 n ILE 2085CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1pj3 n GLY 2087N 1.04 0.00 0.26 3.28 0.00 -0.62 -3.15 105.19 105.99 1pj3 n GLY 2087Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 1pj3 n GLY 2087CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1pj3 h ILE 2088N 0.00 1.26 -0.08 -0.61 2.04 -1.78 -1.96 117.51 116.38 1pj3 h ILE 2088Ca 0.00 -1.24 0.02 0.00 1.00 0.00 0.00 64.86 64.65 1pj3 h ILE 2088Cb 0.00 1.21 -0.00 0.00 -0.74 0.00 0.00 36.82 37.29 1pj3 h ILE 2088CO 0.00 0.41 0.10 -0.61 0.00 0.00 0.00 178.15 178.05 1pj3 h GLN 2089N 0.57 0.00 -0.45 2.37 4.15 -1.78 0.34 115.11 120.32 1pj3 h GLN 2089Ca 0.09 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.51 1pj3 h GLN 2089Cb 0.65 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.34 1pj3 h GLN 2089CO 0.05 0.00 0.00 0.39 -1.93 0.00 0.00 178.83 177.34 1pj3 n GLU 2090N -3.79 2.39 0.01 1.69 -0.58 -0.75 -4.25 120.64 115.35 1pj3 n GLU 2090Ca -0.01 -2.12 0.00 0.00 -0.42 0.00 0.00 57.16 54.61 1pj3 n GLU 2090Cb 0.20 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.58 1pj3 n GLU 2090CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 1pj3 n ARG 2091N 1.28 0.00 -3.43 3.49 0.63 0.52 -4.54 116.66 114.62 1pj3 n ARG 2091Ca 0.20 0.00 -0.21 0.00 -0.92 0.00 0.00 57.85 56.92 1pj3 n ARG 2091Cb 0.54 -0.48 -0.11 0.00 0.45 0.00 0.00 32.46 32.87 1pj3 n ARG 2091CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 1pj3 s ASN 2092N -5.17 2.13 0.19 6.15 3.84 0.90 -4.15 114.94 118.83 1pj3 s ASN 2092Ca 0.00 -1.20 -0.12 0.00 0.21 0.00 0.00 52.86 51.76 1pj3 s ASN 2092Cb 0.00 0.23 0.15 0.00 -0.55 0.00 0.00 41.25 41.08 1pj3 s ASN 2092CO 0.00 -0.37 1.83 -0.08 -2.79 0.00 0.00 177.10 175.69 1pj3 h GLU 2093N 7.92 0.72 -0.47 0.43 4.81 -1.10 -1.89 114.58 125.01 1pj3 h GLU 2093Ca -0.09 -0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.13 1pj3 h GLU 2093Cb 1.04 -0.16 -0.04 0.00 0.63 0.00 0.00 28.75 30.22 1pj3 h GLU 2093CO 0.32 0.48 0.24 0.87 -0.73 0.00 0.00 179.01 180.19 1pj3 h LYS 2094N 0.74 0.46 -0.26 1.92 6.56 -1.86 -2.41 116.57 121.73 1pj3 h LYS 2094Ca 0.25 -0.03 -0.09 0.00 -1.06 0.00 0.00 60.65 59.72 1pj3 h LYS 2094Cb 0.03 -0.10 -0.01 0.00 -0.57 0.00 0.00 32.23 31.57 1pj3 h LYS 2094CO -0.11 0.31 -0.22 1.25 -2.06 0.00 0.00 179.45 178.62 1pj3 h LEU 2095N 0.47 0.47 -0.16 2.94 5.85 -1.77 -1.58 115.31 121.53 1pj3 h LEU 2095Ca 0.20 -0.15 0.02 0.00 0.84 0.00 0.00 57.88 58.79 1pj3 h LEU 2095Cb 0.10 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 1pj3 h LEU 2095CO -0.14 0.69 0.03 0.15 -0.34 0.00 0.00 178.44 178.84 1pj3 h PHE 2096N 0.43 0.06 -0.05 1.25 3.57 -0.87 0.01 116.94 121.33 1pj3 h PHE 2096Ca 0.07 0.01 -0.15 0.00 3.53 0.00 0.00 57.97 61.43 1pj3 h PHE 2096Cb 0.61 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.34 1pj3 h PHE 2096CO 0.02 0.02 -0.63 1.88 -2.23 0.00 0.00 178.31 177.37 1pj3 h TYR 2097N 0.10 0.24 -0.75 0.41 -1.99 -1.31 -2.20 116.97 111.47 1pj3 h TYR 2097Ca 0.07 -0.10 -0.03 0.00 2.00 0.00 0.00 58.73 60.68 1pj3 h TYR 2097Cb 0.06 -0.04 -0.03 0.00 2.00 0.00 0.00 36.73 38.72 1pj3 h TYR 2097CO -0.13 0.77 0.35 -0.09 -0.00 0.00 0.00 178.16 179.05 1pj3 h ARG 2098N 0.13 1.07 -0.45 4.88 9.65 -0.85 0.28 114.38 129.09 1pj3 h ARG 2098Ca -0.01 -0.16 -0.06 0.00 -1.10 0.00 0.00 59.98 58.65 1pj3 h ARG 2098Cb 1.15 -0.19 -0.02 0.00 -1.39 0.00 0.00 29.97 29.51 1pj3 h ARG 2098CO 0.09 0.84 0.05 0.82 2.80 0.00 0.00 179.97 184.57 1pj3 h ILE 2099N 1.06 1.25 -0.46 1.20 5.03 -0.71 -0.51 117.51 124.37 1pj3 h ILE 2099Ca 0.26 -0.95 -0.05 0.00 -0.12 0.00 0.00 64.86 63.99 1pj3 h ILE 2099Cb 0.12 1.00 -0.02 0.00 -3.03 0.00 0.00 36.82 34.89 1pj3 h ILE 2099CO -0.03 0.33 0.09 -0.07 -0.68 0.00 0.00 178.15 177.79 1pj3 h LEU 2100N 0.62 0.73 -1.14 1.44 4.07 -1.08 -3.04 115.31 116.91 1pj3 h LEU 2100Ca 0.13 -0.25 0.01 0.00 0.08 0.00 0.00 57.88 57.85 1pj3 h LEU 2100Cb 0.43 -0.19 -0.04 0.00 1.08 0.00 0.00 40.66 41.93 1pj3 h LEU 2100CO 0.01 0.80 0.56 -0.61 -1.08 0.00 0.00 178.44 178.12 1pj3 h GLN 2101N 0.63 1.14 -0.79 1.13 4.15 -0.68 -1.01 115.11 119.69 1pj3 h GLN 2101Ca 0.14 -0.07 0.11 0.00 0.77 0.00 0.00 58.65 59.60 1pj3 h GLN 2101Cb 0.37 -0.25 -0.06 0.00 0.21 0.00 0.00 27.48 27.75 1pj3 h GLN 2101CO 0.01 0.76 0.52 -0.44 -1.93 0.00 0.00 178.83 177.75 1pj3 h ASP 2102N 1.17 0.62 -0.58 -0.69 3.32 -0.97 -3.37 116.42 115.92 1pj3 h ASP 2102Ca 0.32 0.02 -0.16 0.00 0.02 0.00 0.00 57.03 57.22 1pj3 h ASP 2102Cb -0.12 -0.11 -0.15 0.00 0.22 0.00 0.00 39.33 39.17 1pj3 h ASP 2102CO -0.07 0.36 -0.45 -0.67 -1.72 0.00 0.00 179.24 176.69 1pj3 n ASP 2103N -4.51 -3.09 -0.03 6.45 2.03 -1.06 -5.02 116.55 111.33 1pj3 n ASP 2103Ca 0.14 -2.89 0.01 0.00 0.52 0.00 0.00 54.79 52.56 1pj3 n ASP 2103Cb 0.36 1.69 0.33 0.00 -0.72 0.00 0.00 41.12 42.78 1pj3 n ASP 2103CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 1pj3 h ILE 2104N 4.05 1.17 -0.62 5.18 6.09 -1.36 -2.81 117.51 129.21 1pj3 h ILE 2104Ca -0.02 -0.54 -0.09 0.00 -1.37 0.00 0.00 64.86 62.83 1pj3 h ILE 2104Cb 1.09 0.70 -0.02 0.00 0.47 0.00 0.00 36.82 39.05 1pj3 h ILE 2104CO 0.10 0.21 0.03 -0.08 -3.07 0.00 0.00 178.15 175.34 1pj3 h GLU 2105N 0.59 1.06 0.00 2.19 4.81 -1.87 -2.95 114.58 118.40 1pj3 h GLU 2105Ca 0.14 -0.32 -0.09 0.00 -0.13 0.00 0.00 59.36 58.97 1pj3 h GLU 2105Cb 0.15 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 1pj3 h GLU 2105CO -0.01 1.02 -0.42 0.66 -0.73 0.00 0.00 179.01 179.52 1pj3 h SER 2106N 0.98 0.00 -1.55 1.04 4.64 -1.93 -3.39 113.55 113.34 1pj3 h SER 2106Ca 0.18 0.00 -0.70 0.00 -0.47 0.00 0.00 61.79 60.80 1pj3 h SER 2106Cb 0.52 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 62.41 1pj3 h SER 2106CO 0.03 0.42 1.36 0.18 -0.87 0.00 0.00 176.83 177.94 1pj3 n LEU 2107N -3.30 7.41 0.00 5.97 4.77 -1.07 -4.57 117.00 126.21 1pj3 n LEU 2107Ca 0.01 -4.81 0.00 0.00 -0.03 0.00 0.00 56.01 51.19 1pj3 n LEU 2107Cb 0.64 -1.23 0.00 0.00 -2.33 0.00 0.00 43.42 40.50 1pj3 n LEU 2107CO 0.38 1.93 0.00 -2.65 -1.33 0.00 0.00 177.39 175.73 1pj3 n PRO 2109N 0.70 0.00 -0.10 3.23 -0.02 -1.26 -1.61 135.00 135.94 1pj3 n PRO 2109Ca 0.54 0.00 -0.19 0.00 -2.02 0.00 0.00 63.50 61.82 1pj3 n PRO 2109Cb 0.32 0.00 -0.11 0.00 -0.02 0.00 0.00 33.50 33.69 1pj3 n PRO 2109CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1pj3 h ILE 2110N 0.00 0.90 0.00 4.25 1.08 -1.82 -2.28 117.51 119.64 1pj3 h ILE 2110Ca 0.00 -2.08 0.00 0.00 -0.39 0.00 0.00 64.86 62.39 1pj3 h ILE 2110Cb 0.00 2.11 0.00 0.00 -3.07 0.00 0.00 36.82 35.86 1pj3 h ILE 2110CO 0.00 0.31 -0.27 -0.37 -0.69 0.00 0.00 178.15 177.12 1pj3 h VAL 2111N -1.00 0.00 -1.62 1.67 -1.51 -1.70 -3.33 116.25 108.77 1pj3 h VAL 2111Ca -0.29 -0.66 0.00 0.00 -1.23 0.00 0.00 66.70 64.52 1pj3 h VAL 2111Cb 1.20 1.50 0.00 0.00 -2.13 0.00 0.00 31.29 31.85 1pj3 h VAL 2111CO -0.17 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.17 1pj3 n TYR 2112N -2.47 0.00 -2.07 5.19 9.36 -1.26 -4.57 117.16 121.33 1pj3 n TYR 2112Ca 0.04 0.00 -0.40 0.00 3.32 0.00 0.00 57.90 60.86 1pj3 n TYR 2112Cb 0.47 0.00 -0.01 0.00 -0.63 0.00 0.00 39.34 39.17 1pj3 n TYR 2112CO 0.00 0.00 0.00 -0.08 0.22 0.00 0.00 176.86 177.00 1pj3 s THR 2113N 1.12 2.64 -0.22 2.97 -1.32 -1.26 -0.83 115.64 118.74 1pj3 s THR 2113Ca 0.00 0.60 0.22 0.00 -1.21 0.00 0.00 61.69 61.31 1pj3 s THR 2113Cb 0.00 -3.37 -0.04 0.00 -1.51 0.00 0.00 72.50 67.58 1pj3 s THR 2113CO 0.00 0.11 0.98 -0.81 -2.21 0.00 0.00 174.62 172.69 1pj3 n PRO 2114N 0.42 0.61 0.03 7.08 -0.04 -1.22 -4.03 135.00 137.84 1pj3 n PRO 2114Ca 0.02 0.08 0.14 0.00 -0.04 0.00 0.00 63.50 63.70 1pj3 n PRO 2114Cb 0.43 -1.79 0.60 0.00 -0.04 0.00 0.00 33.50 32.70 1pj3 n PRO 2114CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1pj3 h THR 2115N 0.00 0.86 -0.11 0.52 2.02 -1.04 -0.22 112.91 114.94 1pj3 h THR 2115Ca 0.00 -0.06 -0.01 0.00 0.77 0.00 0.00 66.41 67.11 1pj3 h THR 2115Cb 1.00 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 68.08 1pj3 h THR 2115CO 0.00 0.03 0.00 1.62 0.37 0.00 0.00 175.52 177.54 1pj3 h VAL 2116N 0.16 1.08 -0.51 3.16 3.04 -1.09 -0.16 116.25 121.93 1pj3 h VAL 2116Ca 0.20 -0.29 -0.06 0.00 -1.01 0.00 0.00 66.70 65.54 1pj3 h VAL 2116Cb 0.58 0.99 -0.02 0.00 -2.01 0.00 0.00 31.29 30.84 1pj3 h VAL 2116CO -0.03 0.10 0.08 1.23 -1.01 0.00 0.00 177.57 177.94 1pj3 h GLY 2117N 0.34 0.90 0.94 3.17 0.00 -1.28 -0.36 103.07 106.79 1pj3 h GLY 2117Ca 0.04 -0.60 -0.02 0.00 0.00 0.00 0.00 47.33 46.75 1pj3 h GLY 2117CO 0.00 0.56 0.16 -2.00 0.00 0.00 0.00 176.54 175.26 1pj3 h LEU 2118N 0.72 0.52 -0.64 3.11 5.85 -1.18 -1.68 115.31 122.00 1pj3 h LEU 2118Ca 0.15 -0.16 0.01 0.00 0.84 0.00 0.00 57.88 58.72 1pj3 h LEU 2118Cb 0.40 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.26 1pj3 h LEU 2118CO 0.01 0.53 0.42 0.00 -0.34 0.00 0.00 178.44 179.06 1pj3 h ALA 2119N 1.01 0.81 -0.34 1.25 0.00 -0.82 -2.61 119.26 118.56 1pj3 h ALA 2119Ca 0.13 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1pj3 h ALA 2119Cb 0.17 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1pj3 h ALA 2119CO -0.01 0.24 0.18 0.00 0.00 0.00 0.00 179.25 179.66 1pj3 h SER 2121N 0.43 0.00 0.00 0.00 4.64 -1.02 -1.92 113.55 115.67 1pj3 h SER 2121Ca 0.12 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.43 1pj3 h SER 2121Cb 0.07 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.13 1pj3 h SER 2121CO -0.02 0.00 -0.28 0.00 -0.87 0.00 0.00 176.83 175.67 1pj3 n GLN 2122N -2.80 1.06 -0.25 4.77 6.02 -0.75 -4.87 117.38 120.56 1pj3 n GLN 2122Ca -0.02 -2.47 0.05 0.00 -0.01 0.00 0.00 57.00 54.55 1pj3 n GLN 2122Cb 0.08 -1.26 0.18 0.00 1.02 0.00 0.00 30.24 30.25 1pj3 n GLN 2122CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 177.06 175.13 1pj3 h TYR 2123N 0.32 0.32 0.00 1.08 3.20 0.61 -0.48 116.97 122.01 1pj3 h TYR 2123Ca -0.02 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.89 1pj3 h TYR 2123Cb 1.13 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 39.37 1pj3 h TYR 2123CO 0.21 -0.06 0.00 0.78 -1.64 0.00 0.00 178.16 177.46 1pj3 h GLY 2124N 0.30 0.00 1.32 1.82 0.00 -1.85 -2.47 103.07 102.19 1pj3 h GLY 2124Ca 0.41 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.56 1pj3 h GLY 2124CO -0.49 0.00 -1.24 0.45 0.00 0.00 0.00 176.54 175.27 1pj3 h HIS 2125N 0.00 0.00 -0.29 5.60 3.86 -1.38 -3.35 115.15 119.60 1pj3 h HIS 2125Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1pj3 h HIS 2125Cb 0.49 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.96 1pj3 h HIS 2125CO 0.00 0.70 0.00 0.44 0.86 0.00 0.00 177.93 179.93 1pj3 n ILE 2126N -3.05 0.50 -1.69 2.45 -5.35 -0.99 -5.02 119.36 106.21 1pj3 n ILE 2126Ca -0.07 -0.75 -0.44 0.00 -0.27 0.00 0.00 62.75 61.22 1pj3 n ILE 2126Cb 0.87 0.93 -0.02 0.00 -1.74 0.00 0.00 39.64 39.68 1pj3 n ILE 2126CO 0.00 0.00 0.00 0.33 -1.76 0.00 0.00 176.55 175.12 1pj3 n PHE 2127N 1.04 2.36 0.00 4.28 7.35 -0.94 -4.89 117.46 126.66 1pj3 n PHE 2127Ca 0.14 0.41 0.00 0.00 -0.76 0.00 0.00 57.45 57.25 1pj3 n PHE 2127Cb 0.48 -2.48 0.00 0.00 0.35 0.00 0.00 39.48 37.83 1pj3 n PHE 2127CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 1pj3 n ARG 2128N 1.76 0.00 -3.87 -4.13 1.74 -1.26 -5.09 116.66 105.81 1pj3 n ARG 2128Ca 0.09 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 57.06 1pj3 n ARG 2128Cb 0.34 -0.35 -0.11 0.00 -1.02 0.00 0.00 32.46 31.31 1pj3 n ARG 2128CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1pj3 s ARG 2129N -1.65 0.35 0.60 5.56 0.52 -1.26 -5.16 118.95 117.91 1pj3 s ARG 2129Ca 0.00 -0.22 -0.10 0.00 -0.52 0.00 0.00 55.73 54.89 1pj3 s ARG 2129Cb 0.00 0.15 -0.03 0.00 0.52 0.00 0.00 34.95 35.58 1pj3 s ARG 2129CO 0.00 -0.07 0.98 -1.25 0.02 0.00 0.00 175.30 174.98 1pj3 s PRO 2130N -0.89 3.52 0.02 3.54 0.04 -1.26 -5.08 135.00 134.89 1pj3 s PRO 2130Ca -0.10 0.59 0.02 0.00 0.04 0.00 0.00 61.00 61.55 1pj3 s PRO 2130Cb -0.06 -2.14 -0.01 0.00 0.04 0.00 0.00 34.50 32.33 1pj3 s PRO 2130CO 0.01 -0.53 -0.06 0.15 0.04 0.00 0.00 177.00 176.62 1pj3 s LYS 2131N -5.09 0.42 0.29 4.56 1.02 -1.26 -5.12 119.74 114.56 1pj3 s LYS 2131Ca 0.54 -0.49 0.00 0.00 0.02 0.00 0.00 55.97 56.04 1pj3 s LYS 2131Cb -0.11 -0.25 0.00 0.00 -0.52 0.00 0.00 37.83 36.95 1pj3 s LYS 2131CO 0.52 0.05 0.00 0.41 -0.92 0.00 0.00 175.35 175.41 1pj3 n GLY 2132N 2.11 -2.03 3.87 -3.33 0.00 -1.26 -4.89 105.19 99.65 1pj3 n GLY 2132Ca -0.19 -1.33 -0.37 0.00 0.00 0.00 0.00 46.02 44.13 1pj3 n GLY 2132CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pj3 s LEU 2133N 0.00 4.41 -0.17 0.99 1.43 0.50 -4.98 118.68 120.86 1pj3 s LEU 2133Ca 0.00 0.59 0.00 0.00 -1.03 0.00 0.00 54.13 53.69 1pj3 s LEU 2133Cb 0.00 -2.24 0.00 0.00 0.03 0.00 0.00 46.19 43.98 1pj3 s LEU 2133CO 0.00 0.38 -0.16 -0.36 0.23 0.00 0.00 176.35 176.44 1pj3 s PHE 2134N -1.07 2.79 -0.18 0.29 0.40 -1.26 -1.12 117.98 117.83 1pj3 s PHE 2134Ca 0.18 -1.22 0.01 0.00 -0.60 0.00 0.00 56.93 55.30 1pj3 s PHE 2134Cb -0.13 -1.92 0.04 0.00 0.51 0.00 0.00 43.02 41.52 1pj3 s PHE 2134CO 0.07 -0.59 -0.11 0.42 0.70 0.00 0.00 175.22 175.71 1pj3 s ILE 2135N 1.02 1.58 0.30 0.64 1.01 -0.48 -4.99 121.20 120.27 1pj3 s ILE 2135Ca -0.01 -0.86 0.07 0.00 0.00 0.00 0.00 60.65 59.85 1pj3 s ILE 2135Cb -0.15 -1.61 -0.03 0.00 0.01 0.00 0.00 42.46 40.69 1pj3 s ILE 2135CO -0.04 0.26 0.28 -0.94 0.00 0.00 0.00 174.94 174.50 1pj3 s SER 2136N 1.44 5.55 0.56 3.58 1.04 -1.26 -0.48 113.70 124.13 1pj3 s SER 2136Ca 0.01 -0.32 0.24 0.00 0.48 0.00 0.00 55.95 56.36 1pj3 s SER 2136Cb -0.15 -1.24 1.52 0.00 0.10 0.00 0.00 66.02 66.26 1pj3 s SER 2136CO -0.09 -0.22 2.15 -0.29 0.98 0.00 0.00 173.24 175.77 1pj3 h ILE 2137N 1.29 0.72 0.00 -1.02 6.09 -1.03 0.18 117.51 123.74 1pj3 h ILE 2137Ca -0.47 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.02 1pj3 h ILE 2137Cb 1.25 0.93 0.00 0.00 0.47 0.00 0.00 36.82 39.47 1pj3 h ILE 2137CO 0.59 0.00 0.00 -1.20 -3.07 0.00 0.00 178.15 174.47 1pj3 n SER 2138N -4.17 0.10 -1.30 2.19 7.64 -1.26 -1.82 113.62 115.01 1pj3 n SER 2138Ca -0.00 0.53 0.12 0.00 1.01 0.00 0.00 58.87 60.52 1pj3 n SER 2138Cb 0.21 -0.55 0.30 0.00 -1.01 0.00 0.00 64.21 63.16 1pj3 n SER 2138CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1pj3 n ASP 2139N -1.62 3.84 -4.66 6.43 8.00 0.64 -4.98 116.55 124.19 1pj3 n ASP 2139Ca 0.03 -2.00 -0.46 0.00 0.71 0.00 0.00 54.79 53.07 1pj3 n ASP 2139Cb 0.17 -0.43 -0.04 0.00 -0.02 0.00 0.00 41.12 40.79 1pj3 n ASP 2139CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 1pj3 n ARG 2140N 1.59 2.04 0.00 -1.24 1.85 -0.75 -0.33 116.66 119.82 1pj3 n ARG 2140Ca 0.23 0.73 0.00 0.00 -1.00 0.00 0.00 57.85 57.82 1pj3 n ARG 2140Cb 0.62 -2.45 0.00 0.00 -1.05 0.00 0.00 32.46 29.57 1pj3 n ARG 2140CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1pj3 n GLY 2141N 2.89 2.71 0.48 2.89 0.00 -1.26 -4.85 105.19 108.06 1pj3 n GLY 2141Ca 0.15 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.23 1pj3 n GLY 2141CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1pj3 n HIS 2142N -2.00 0.00 -0.21 1.61 8.25 0.55 -4.82 115.22 118.60 1pj3 n HIS 2142Ca 0.00 -0.85 -0.03 0.00 -0.26 0.00 0.00 57.72 56.58 1pj3 n HIS 2142Cb 0.00 -0.15 0.17 0.00 1.12 0.00 0.00 29.99 31.13 1pj3 n HIS 2142CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1pj3 h VAL 2143N 2.65 1.23 -0.84 1.59 2.07 -1.87 -2.92 116.25 118.16 1pj3 h VAL 2143Ca -0.03 -0.67 0.03 0.00 0.82 0.00 0.00 66.70 66.85 1pj3 h VAL 2143Cb 1.20 0.36 -0.05 0.00 -1.52 0.00 0.00 31.29 31.29 1pj3 h VAL 2143CO 0.01 0.28 0.54 -0.09 0.02 0.00 0.00 177.57 178.33 1pj3 h ARG 2144N 0.99 1.02 0.00 1.57 9.65 -1.88 -1.24 114.38 124.49 1pj3 h ARG 2144Ca 0.24 -0.06 -0.05 0.00 -1.10 0.00 0.00 59.98 59.01 1pj3 h ARG 2144Cb 0.13 -0.23 -0.01 0.00 -1.39 0.00 0.00 29.97 28.48 1pj3 h ARG 2144CO -0.03 0.68 -0.22 0.66 2.80 0.00 0.00 179.97 183.85 1pj3 h SER 2145N 1.05 0.00 -0.12 -3.80 4.64 -1.90 -0.03 113.55 113.39 1pj3 h SER 2145Ca 0.34 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.59 1pj3 h SER 2145Cb 0.01 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1pj3 h SER 2145CO -0.11 0.22 -0.17 0.40 -0.87 0.00 0.00 176.83 176.30 1pj3 h ILE 2146N 0.00 1.37 -0.22 0.95 2.04 -1.23 -2.95 117.51 117.47 1pj3 h ILE 2146Ca -0.00 -1.39 -0.02 0.00 1.00 0.00 0.00 64.86 64.45 1pj3 h ILE 2146Cb 0.46 1.99 -0.01 0.00 -0.74 0.00 0.00 36.82 38.52 1pj3 h ILE 2146CO 0.03 0.40 0.05 0.58 0.00 0.00 0.00 178.15 179.22 1pj3 h VAL 2147N -0.07 1.11 0.00 1.67 2.07 -0.60 -0.75 116.25 119.68 1pj3 h VAL 2147Ca 0.01 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.15 1pj3 h VAL 2147Cb 0.73 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 1pj3 h VAL 2147CO 0.04 0.14 0.00 0.47 0.02 0.00 0.00 177.57 178.24 1pj3 n ASP 2148N -4.41 0.34 0.16 0.57 8.00 -0.09 -2.70 116.55 118.42 1pj3 n ASP 2148Ca 0.00 0.56 0.12 0.00 0.71 0.00 0.00 54.79 56.19 1pj3 n ASP 2148Cb 0.15 -0.64 0.21 0.00 -0.02 0.00 0.00 41.12 40.82 1pj3 n ASP 2148CO 0.00 0.00 0.00 0.78 -0.39 0.00 0.00 177.20 177.59 1pj3 h ASN 2149N 0.00 0.00 -2.78 -2.24 2.35 -0.96 -3.45 115.58 108.50 1pj3 h ASN 2149Ca 0.00 -0.02 -0.52 0.00 -0.55 0.00 0.00 56.30 55.21 1pj3 h ASN 2149Cb 0.41 0.00 0.04 0.00 0.05 0.00 0.00 38.32 38.82 1pj3 h ASN 2149CO 0.00 0.01 0.92 0.86 -1.65 0.00 0.00 177.43 177.57 1pj3 s TRP 2150N -3.20 2.95 0.47 1.19 -0.11 -1.10 -4.90 118.94 114.24 1pj3 s TRP 2150Ca 0.07 0.53 0.15 0.00 1.22 0.00 0.00 56.10 58.07 1pj3 s TRP 2150Cb 0.08 -3.97 1.07 0.00 -1.50 0.00 0.00 33.47 29.16 1pj3 s TRP 2150CO 0.67 -3.64 2.03 -1.35 -4.62 0.00 0.00 176.95 170.05 1pj3 h PRO 2151N 7.01 0.01 -6.37 5.86 0.11 -1.91 -3.44 132.00 133.27 1pj3 h PRO 2151Ca -0.43 -0.00 -0.54 0.00 0.11 0.00 0.00 66.00 65.14 1pj3 h PRO 2151Cb 1.20 -0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.28 1pj3 h PRO 2151CO 0.92 0.14 0.22 -1.21 -0.21 0.00 0.00 178.00 177.86 1pj3 s GLU 2152N -4.77 4.55 0.06 1.05 0.41 -1.26 -5.00 118.70 113.74 1pj3 s GLU 2152Ca -0.04 1.18 0.15 0.00 -0.41 0.00 0.00 54.97 55.85 1pj3 s GLU 2152Cb 0.16 -3.38 -0.15 0.00 -1.78 0.00 0.00 34.13 28.99 1pj3 s GLU 2152CO 0.69 0.24 0.85 -0.91 -0.49 0.00 0.00 175.26 175.64 1pj3 h ASN 2153N 5.75 0.00 -2.21 -0.19 2.35 -1.88 -3.41 115.58 115.99 1pj3 h ASN 2153Ca -0.43 0.00 -0.59 0.00 -0.55 0.00 0.00 56.30 54.73 1pj3 h ASN 2153Cb 1.21 0.00 -0.42 0.00 0.05 0.00 0.00 38.32 39.16 1pj3 h ASN 2153CO 0.72 0.69 -0.65 1.57 -1.65 0.00 0.00 177.43 178.11 1pj3 n HIS 2154N -2.97 3.54 -2.20 1.19 -0.00 -1.26 -4.90 115.22 108.61 1pj3 n HIS 2154Ca -0.10 -4.07 -0.41 0.00 0.46 0.00 0.00 57.72 53.60 1pj3 n HIS 2154Cb 0.89 -0.52 -0.03 0.00 -0.12 0.00 0.00 29.99 30.21 1pj3 n HIS 2154CO 0.00 0.00 0.00 0.08 0.46 0.00 0.00 176.34 176.88 1pj3 s VAL 2155N -3.15 3.18 -0.09 3.57 1.01 -1.26 -4.63 120.40 119.03 1pj3 s VAL 2155Ca 0.43 0.97 0.03 0.00 0.00 0.00 0.00 61.98 63.41 1pj3 s VAL 2155Cb 0.20 -3.62 -0.05 0.00 0.00 0.00 0.00 36.38 32.92 1pj3 s VAL 2155CO -0.06 0.14 0.11 0.29 0.00 0.00 0.00 175.10 175.58 1pj3 n LYS 2156N 2.67 3.11 -3.75 2.72 4.76 0.76 -4.90 118.16 123.54 1pj3 n LYS 2156Ca 0.06 -0.02 -0.13 0.00 -2.87 0.00 0.00 58.31 55.36 1pj3 n LYS 2156Cb 0.43 -0.86 -0.13 0.00 -1.84 0.00 0.00 35.03 32.62 1pj3 n LYS 2156CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1pj3 s ALA 2157N -1.76 -0.45 -0.03 7.82 0.00 -0.45 -1.95 121.76 124.94 1pj3 s ALA 2157Ca 0.00 0.81 0.06 0.00 0.00 0.00 0.00 51.96 52.83 1pj3 s ALA 2157Cb 0.02 -0.52 -0.01 0.00 0.00 0.00 0.00 23.12 22.61 1pj3 s ALA 2157CO 0.14 -0.16 -0.20 0.08 0.00 0.00 0.00 175.76 175.62 1pj3 s VAL 2158N 1.00 1.60 -0.14 0.00 1.01 0.53 -0.36 120.40 124.04 1pj3 s VAL 2158Ca -0.07 -0.85 0.01 0.00 0.00 0.00 0.00 61.98 61.07 1pj3 s VAL 2158Cb -0.09 -1.34 0.02 0.00 0.00 0.00 0.00 36.38 34.96 1pj3 s VAL 2158CO -0.06 0.45 -0.17 -0.69 0.00 0.00 0.00 175.10 174.63 1pj3 s VAL 2159N -0.33 1.76 0.07 2.92 1.01 -0.94 0.00 120.40 124.90 1pj3 s VAL 2159Ca 0.04 -0.77 0.07 0.00 0.00 0.00 0.00 61.98 61.32 1pj3 s VAL 2159Cb -0.09 -1.61 -0.03 0.00 0.00 0.00 0.00 36.38 34.65 1pj3 s VAL 2159CO 0.00 0.49 -0.19 0.54 0.00 0.00 0.00 175.10 175.94 1pj3 s VAL 2160N 1.19 1.57 0.11 2.92 0.11 -0.36 -0.69 120.40 125.25 1pj3 s VAL 2160Ca -0.00 -1.33 -0.08 0.00 -2.93 0.00 0.00 61.98 57.64 1pj3 s VAL 2160Cb -0.14 -1.41 -0.01 0.00 -1.53 0.00 0.00 36.38 33.30 1pj3 s VAL 2160CO -0.07 0.03 0.20 0.28 -3.33 0.00 0.00 175.10 172.21 1pj3 s THR 2161N -1.00 0.12 -0.25 5.04 -1.32 -0.81 -0.14 115.64 117.29 1pj3 s THR 2161Ca 0.05 -1.28 0.02 0.00 -1.21 0.00 0.00 61.69 59.28 1pj3 s THR 2161Cb -0.09 -1.51 0.05 0.00 -1.51 0.00 0.00 72.50 69.44 1pj3 s THR 2161CO 0.03 -0.56 0.88 -0.90 -2.21 0.00 0.00 174.62 171.86 1pj3 n ASP 2162N -0.10 1.83 -1.04 8.08 5.68 -1.26 -0.65 116.55 129.09 1pj3 n ASP 2162Ca -0.13 -1.66 -0.14 0.00 -0.50 0.00 0.00 54.79 52.37 1pj3 n ASP 2162Cb 0.63 -0.03 -0.06 0.00 -1.14 0.00 0.00 41.12 40.52 1pj3 n ASP 2162CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1pj3 n GLY 2163N -0.11 1.37 0.16 6.12 0.00 -1.26 -4.59 105.19 106.88 1pj3 n GLY 2163Ca 0.02 -0.20 0.05 0.00 0.00 0.00 0.00 46.02 45.89 1pj3 n GLY 2163CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1pj3 h GLU 2164N 0.04 0.00 -2.11 1.61 4.81 -1.83 -0.63 114.58 116.47 1pj3 h GLU 2164Ca -0.28 0.00 -0.57 0.00 -0.13 0.00 0.00 59.36 58.38 1pj3 h GLU 2164Cb 1.02 0.00 -0.39 0.00 0.63 0.00 0.00 28.75 30.00 1pj3 h GLU 2164CO 0.41 0.39 -1.00 -2.13 -0.73 0.00 0.00 179.01 175.95 1pj3 n ARG 2165N -3.19 0.94 -2.63 1.92 0.00 -0.69 -1.99 116.66 111.03 1pj3 n ARG 2165Ca 0.02 -3.47 -0.42 0.00 -0.00 0.00 0.00 57.85 53.98 1pj3 n ARG 2165Cb 0.69 -1.46 -0.03 0.00 0.00 0.00 0.00 32.46 31.67 1pj3 n ARG 2165CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1pj3 s ILE 2166N -1.22 4.09 0.00 5.15 -1.09 -0.07 -4.50 121.20 123.56 1pj3 s ILE 2166Ca 0.35 0.81 0.00 0.00 -2.23 0.00 0.00 60.65 59.58 1pj3 s ILE 2166Cb 0.14 -4.69 0.00 0.00 -1.58 0.00 0.00 42.46 36.33 1pj3 s ILE 2166CO -0.11 -1.29 0.00 0.18 -1.23 0.00 0.00 174.94 172.49 1pj3 n LEU 2167N 8.25 0.00 -1.78 2.97 4.77 -1.26 -0.41 117.00 129.53 1pj3 n LEU 2167Ca 0.07 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 56.05 1pj3 n LEU 2167Cb 0.49 0.00 0.30 0.00 -2.33 0.00 0.00 43.42 41.87 1pj3 n LEU 2167CO 0.70 0.00 0.88 0.61 -1.33 0.00 0.00 177.39 178.26 1pj3 n GLY 2168N 0.00 3.12 0.08 -0.72 0.00 0.14 -4.18 105.19 103.63 1pj3 n GLY 2168Ca 0.00 -0.82 0.12 0.00 0.00 0.00 0.00 46.02 45.31 1pj3 n GLY 2168CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pj3 n LEU 2169N 0.16 0.83 0.00 0.99 4.77 0.45 -4.86 117.00 119.34 1pj3 n LEU 2169Ca 0.31 -0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 1pj3 n LEU 2169Cb 1.18 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 42.12 1pj3 n LEU 2169CO 0.34 0.19 0.00 0.61 -1.33 0.00 0.00 177.39 177.20 1pj3 n GLY 2170N 1.46 -0.55 3.59 -0.72 0.00 -1.21 -4.78 105.19 102.99 1pj3 n GLY 2170Ca 0.07 -1.17 -0.42 0.00 0.00 0.00 0.00 46.02 44.49 1pj3 n GLY 2170CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1pj3 s ASP 2171N -4.00 6.30 0.00 1.61 -1.08 -0.84 -0.89 116.67 117.77 1pj3 s ASP 2171Ca 0.00 0.58 0.07 0.00 -0.52 0.00 0.00 52.55 52.68 1pj3 s ASP 2171Cb 0.00 -2.54 0.13 0.00 -1.46 0.00 0.00 42.92 39.05 1pj3 s ASP 2171CO 0.00 -1.51 0.96 0.18 0.52 0.00 0.00 175.17 175.32 1pj3 n LEU 2172N 8.97 2.13 0.00 -1.34 4.77 -0.28 -4.57 117.00 126.68 1pj3 n LEU 2172Ca 0.14 -1.55 0.00 0.00 -0.03 0.00 0.00 56.01 54.58 1pj3 n LEU 2172Cb 0.49 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 1pj3 n LEU 2172CO 0.71 0.50 0.00 0.61 -1.33 0.00 0.00 177.39 177.88 1pj3 n GLY 2173N 0.25 2.65 0.17 -0.72 0.00 -1.01 -1.57 105.19 104.96 1pj3 n GLY 2173Ca 0.06 -0.32 0.12 0.00 0.00 0.00 0.00 46.02 45.89 1pj3 n GLY 2173CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1pj3 h VAL 2174N 0.00 0.00 0.00 1.61 2.07 -1.89 0.13 116.25 118.17 1pj3 h VAL 2174Ca 0.00 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.44 1pj3 h VAL 2174Cb 0.00 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 1pj3 h VAL 2174CO 0.00 0.00 0.00 -1.22 0.02 0.00 0.00 177.57 176.37 1pj3 n TYR 2175N -2.34 0.62 -1.67 1.57 0.53 -0.61 -4.66 117.16 110.60 1pj3 n TYR 2175Ca -0.01 0.26 -0.40 0.00 -1.02 0.00 0.00 57.90 56.73 1pj3 n TYR 2175Cb 0.10 -0.92 -0.03 0.00 -1.03 0.00 0.00 39.34 37.46 1pj3 n TYR 2175CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1pj3 n GLY 2176N -0.31 2.85 3.92 2.72 0.00 0.45 -4.59 105.19 110.24 1pj3 n GLY 2176Ca 0.02 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.74 1pj3 n GLY 2176CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pj3 n GLY 2178N 4.73 0.00 0.16 -0.02 0.00 -1.26 -4.15 105.19 104.65 1pj3 n GLY 2178Ca 0.49 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.40 1pj3 n GLY 2178CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1pj3 h ILE 2179N 0.00 0.79 -0.79 -0.61 1.08 -1.92 -1.81 117.51 114.26 1pj3 h ILE 2179Ca 0.00 -0.91 0.06 0.00 -0.39 0.00 0.00 64.86 63.62 1pj3 h ILE 2179Cb 0.00 1.25 -0.05 0.00 -3.07 0.00 0.00 36.82 34.95 1pj3 h ILE 2179CO 0.00 0.18 0.52 -0.65 -0.69 0.00 0.00 178.15 177.50 1pj3 h PRO 2180N -0.81 0.83 -0.27 2.37 0.11 -1.89 0.34 132.00 132.69 1pj3 h PRO 2180Ca -0.03 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.02 1pj3 h PRO 2180Cb 0.51 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.42 1pj3 h PRO 2180CO 0.05 0.55 0.14 0.28 -0.21 0.00 0.00 178.00 178.81 1pj3 h VAL 2181N 0.86 1.13 -0.41 3.15 2.07 -1.91 -1.37 116.25 119.77 1pj3 h VAL 2181Ca 0.34 -0.37 -0.11 0.00 0.82 0.00 0.00 66.70 67.38 1pj3 h VAL 2181Cb 0.23 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 1pj3 h VAL 2181CO -0.12 0.13 -0.16 1.23 0.02 0.00 0.00 177.57 178.68 1pj3 h GLY 2182N 0.31 0.91 0.97 2.17 0.00 -0.49 -2.39 103.07 104.54 1pj3 h GLY 2182Ca 0.09 -0.80 0.01 0.00 0.00 0.00 0.00 47.33 46.64 1pj3 h GLY 2182CO -0.01 0.72 0.38 0.50 0.00 0.00 0.00 176.54 178.13 1pj3 h LYS 2183N 0.66 0.74 0.00 4.80 1.79 -0.86 -2.11 116.57 121.59 1pj3 h LYS 2183Ca 0.10 -0.04 -0.07 0.00 -2.18 0.00 0.00 60.65 58.45 1pj3 h LYS 2183Cb 0.71 -0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 31.19 1pj3 h LYS 2183CO 0.05 0.49 -0.33 -0.07 -1.08 0.00 0.00 179.45 178.51 1pj3 h LEU 2184N 0.76 0.00 -1.07 2.94 3.38 -1.19 -1.79 115.31 118.35 1pj3 h LEU 2184Ca 0.22 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.12 1pj3 h LEU 2184Cb -0.06 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1pj3 h LEU 2184CO -0.06 0.33 -0.04 0.00 0.09 0.00 0.00 178.44 178.75 1pj3 h LEU 2186N 0.58 0.00 -0.46 0.00 3.38 -0.94 0.14 115.31 118.00 1pj3 h LEU 2186Ca 0.11 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.15 1pj3 h LEU 2186Cb 0.43 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.12 1pj3 h LEU 2186CO 0.02 0.57 0.15 1.88 0.09 0.00 0.00 178.44 181.15 1pj3 h TYR 2187N 0.00 0.26 0.03 1.13 -1.99 -0.67 0.18 116.97 115.90 1pj3 h TYR 2187Ca -0.01 0.02 -0.06 0.00 2.00 0.00 0.00 58.73 60.69 1pj3 h TYR 2187Cb 1.07 -0.05 0.01 0.00 2.00 0.00 0.00 36.73 39.76 1pj3 h TYR 2187CO 0.00 0.08 -0.24 1.15 -0.00 0.00 0.00 178.16 179.15 1pj3 h THR 2188N 0.31 1.66 -0.83 -2.88 2.02 -1.34 -1.93 112.91 109.92 1pj3 h THR 2188Ca 0.22 -2.25 -0.03 0.00 0.77 0.00 0.00 66.41 65.13 1pj3 h THR 2188Cb 0.24 3.16 -0.04 0.00 -1.74 0.00 0.00 68.15 69.77 1pj3 h THR 2188CO -0.24 0.60 0.42 0.00 0.37 0.00 0.00 175.52 176.67 1pj3 h ALA 2189N 0.10 1.18 0.08 6.16 0.00 -0.64 -1.36 119.26 124.77 1pj3 h ALA 2189Ca -0.04 -0.15 -0.32 0.00 0.00 0.00 0.00 54.91 54.41 1pj3 h ALA 2189Cb 1.12 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 1pj3 h ALA 2189CO 0.05 0.64 -1.74 0.00 0.00 0.00 0.00 179.25 178.19 1pj3 n ALA 2191N -3.19 2.27 -2.43 0.00 0.00 -0.74 -4.24 120.51 112.17 1pj3 n ALA 2191Ca -0.33 -0.95 -0.19 0.00 0.00 0.00 0.00 53.44 51.98 1pj3 n ALA 2191Cb 0.91 -0.37 -0.00 0.00 0.00 0.00 0.00 19.45 19.98 1pj3 n ALA 2191CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pj3 n GLY 2192N 0.46 -0.41 3.74 0.00 0.00 -0.51 -4.77 105.19 103.70 1pj3 n GLY 2192Ca 0.09 -0.08 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 1pj3 n GLY 2192CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pj3 s ILE 2193N -2.96 4.04 -0.02 -0.61 1.01 -1.11 0.30 121.20 121.85 1pj3 s ILE 2193Ca 0.03 1.79 -0.31 0.00 0.00 0.00 0.00 60.65 62.17 1pj3 s ILE 2193Cb -0.02 -4.14 -0.09 0.00 0.01 0.00 0.00 42.46 38.22 1pj3 s ILE 2193CO 0.04 0.32 1.99 0.54 0.00 0.00 0.00 174.94 177.83 1pj3 n ARG 2194N 2.30 2.61 -0.11 2.79 1.74 -1.26 -4.14 116.66 120.60 1pj3 n ARG 2194Ca 0.02 0.94 0.10 0.00 -0.77 0.00 0.00 57.85 58.14 1pj3 n ARG 2194Cb 0.47 -2.95 0.46 0.00 -1.02 0.00 0.00 32.46 29.42 1pj3 n ARG 2194CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1pj3 h PRO 2195N 10.78 0.49 0.00 5.56 0.13 -1.95 0.15 132.00 147.17 1pj3 h PRO 2195Ca -0.48 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1pj3 h PRO 2195Cb 1.25 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1pj3 h PRO 2195CO 0.95 0.33 0.00 -0.40 -0.23 0.00 0.00 178.00 178.64 1pj3 n ASP 2196N -4.48 0.00 -0.95 1.44 5.75 -1.26 -1.63 116.55 115.43 1pj3 n ASP 2196Ca 0.10 -0.14 0.09 0.00 -0.01 0.00 0.00 54.79 54.82 1pj3 n ASP 2196Cb 0.32 -0.22 0.22 0.00 -1.03 0.00 0.00 41.12 40.41 1pj3 n ASP 2196CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1pj3 n ARG 2197N -1.22 2.62 -4.56 0.11 5.12 0.04 -4.64 116.66 114.14 1pj3 n ARG 2197Ca 0.10 -2.25 -0.33 0.00 -1.93 0.00 0.00 57.85 53.45 1pj3 n ARG 2197Cb 0.13 -1.40 -0.11 0.00 -1.16 0.00 0.00 32.46 29.92 1pj3 n ARG 2197CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1pj3 s LEU 2199N -1.17 1.01 0.18 0.00 2.96 0.51 -4.98 118.68 117.19 1pj3 s LEU 2199Ca 0.15 -0.75 -0.29 0.00 -0.22 0.00 0.00 54.13 53.03 1pj3 s LEU 2199Cb -0.11 -0.53 -0.08 0.00 0.50 0.00 0.00 46.19 45.98 1pj3 s LEU 2199CO 0.05 -0.31 0.90 -2.84 -1.32 0.00 0.00 176.35 172.83 1pj3 s PRO 2200N 1.91 4.73 -0.01 0.98 0.02 -1.26 -2.21 135.00 139.15 1pj3 s PRO 2200Ca -0.00 1.37 0.02 0.00 0.02 0.00 0.00 61.00 62.41 1pj3 s PRO 2200Cb -0.17 -3.31 -0.00 0.00 0.02 0.00 0.00 34.50 31.04 1pj3 s PRO 2200CO -0.08 0.44 -0.07 0.08 -0.33 0.00 0.00 177.00 177.04 1pj3 s VAL 2201N -0.79 0.53 -0.13 3.83 1.01 0.14 -0.37 120.40 124.61 1pj3 s VAL 2201Ca 0.41 -0.27 0.01 0.00 0.00 0.00 0.00 61.98 62.13 1pj3 s VAL 2201Cb -0.24 -0.46 0.02 0.00 0.00 0.00 0.00 36.38 35.70 1pj3 s VAL 2201CO 0.29 0.16 -0.15 0.00 0.00 0.00 0.00 175.10 175.40 1pj3 s ILE 2203N 1.25 5.20 -0.31 0.00 -1.09 0.18 -1.39 121.20 125.04 1pj3 s ILE 2203Ca -0.00 0.37 -0.07 0.00 -2.23 0.00 0.00 60.65 58.71 1pj3 s ILE 2203Cb -0.14 -3.69 0.02 0.00 -1.58 0.00 0.00 42.46 37.07 1pj3 s ILE 2203CO -0.07 0.12 0.10 -0.62 -1.23 0.00 0.00 174.94 173.25 1pj3 s ASP 2204N 1.69 5.27 -0.09 3.58 2.15 0.37 -4.28 116.67 125.35 1pj3 s ASP 2204Ca 0.13 -0.82 0.13 0.00 0.43 0.00 0.00 52.55 52.42 1pj3 s ASP 2204Cb -0.16 -1.90 0.20 0.00 -0.30 0.00 0.00 42.92 40.75 1pj3 s ASP 2204CO 0.11 -0.24 1.09 1.33 -0.17 0.00 0.00 175.17 177.28 1pj3 n VAL 2205N 4.88 1.36 0.00 1.11 0.24 -1.26 -0.31 118.33 124.35 1pj3 n VAL 2205Ca -0.14 -1.62 0.00 0.00 -2.04 0.00 0.00 64.34 60.54 1pj3 n VAL 2205Cb 0.47 0.01 0.00 0.00 -1.47 0.00 0.00 33.84 32.85 1pj3 n VAL 2205CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1pj3 n GLY 2206N -1.02 -1.79 3.30 7.63 0.00 -1.26 -0.75 105.19 111.31 1pj3 n GLY 2206Ca 0.11 -2.20 -0.14 0.00 0.00 0.00 0.00 46.02 43.79 1pj3 n GLY 2206CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1pj3 s THR 2207N -0.70 0.03 -1.29 2.61 -1.32 -0.14 -4.48 115.64 110.36 1pj3 s THR 2207Ca 0.00 -0.28 0.19 0.00 -1.21 0.00 0.00 61.69 60.39 1pj3 s THR 2207Cb 0.00 -0.67 0.72 0.00 -1.51 0.00 0.00 72.50 71.03 1pj3 s THR 2207CO 0.00 -0.16 1.62 0.47 -2.21 0.00 0.00 174.62 174.35 1pj3 n ASP 2208N 1.59 4.66 -4.56 8.08 8.00 -1.26 -3.78 116.55 129.28 1pj3 n ASP 2208Ca -0.19 -2.38 -0.43 0.00 0.71 0.00 0.00 54.79 52.50 1pj3 n ASP 2208Cb 0.56 -0.57 -0.03 0.00 -0.02 0.00 0.00 41.12 41.06 1pj3 n ASP 2208CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1pj3 s ASN 2209N -0.91 6.44 0.15 -2.24 3.84 -1.26 -4.92 114.94 116.04 1pj3 s ASN 2209Ca 0.51 -0.00 -0.16 0.00 0.21 0.00 0.00 52.86 53.42 1pj3 s ASN 2209Cb 0.32 -2.50 0.05 0.00 -0.55 0.00 0.00 41.25 38.57 1pj3 s ASN 2209CO 0.26 -1.33 1.77 0.40 -2.79 0.00 0.00 177.10 175.41 1pj3 h ILE 2210N 6.11 0.95 -0.72 -5.21 1.08 -1.95 -2.48 117.51 115.30 1pj3 h ILE 2210Ca -0.25 -0.12 0.06 0.00 -0.39 0.00 0.00 64.86 64.16 1pj3 h ILE 2210Cb 1.06 0.58 -0.06 0.00 -3.07 0.00 0.00 36.82 35.34 1pj3 h ILE 2210CO 1.13 0.06 0.42 0.00 -0.69 0.00 0.00 178.15 179.07 1pj3 h ALA 2211N 1.21 0.97 -0.77 1.87 0.00 -1.99 -2.36 119.26 118.19 1pj3 h ALA 2211Ca 0.16 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 1pj3 h ALA 2211Cb 0.09 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1pj3 h ALA 2211CO -0.13 0.11 0.28 -0.07 0.00 0.00 0.00 179.25 179.45 1pj3 h LEU 2212N 0.77 1.08 -1.68 0.00 3.38 -1.88 -2.19 115.31 114.78 1pj3 h LEU 2212Ca 0.32 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1pj3 h LEU 2212Cb 0.18 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1pj3 h LEU 2212CO -0.18 0.97 0.00 -0.07 0.09 0.00 0.00 178.44 179.26 1pj3 h LEU 2213N 1.12 0.00 -2.03 1.67 3.38 -0.98 0.15 115.31 118.62 1pj3 h LEU 2213Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1pj3 h LEU 2213Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1pj3 h LEU 2213CO -0.02 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.80 1pj3 n LYS 2214N -2.46 1.58 -2.92 1.13 5.02 -0.87 -4.94 118.16 114.70 1pj3 n LYS 2214Ca -0.01 -1.60 -0.42 0.00 -2.02 0.00 0.00 58.31 54.26 1pj3 n LYS 2214Cb 0.07 -1.27 -0.05 0.00 -0.02 0.00 0.00 35.03 33.77 1pj3 n LYS 2214CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1pj3 s ASP 2215N -1.03 6.75 0.42 4.39 -1.08 0.51 -4.92 116.67 121.70 1pj3 s ASP 2215Ca 0.19 0.85 0.29 0.00 -0.52 0.00 0.00 52.55 53.37 1pj3 s ASP 2215Cb 0.12 -2.42 1.33 0.00 -1.46 0.00 0.00 42.92 40.49 1pj3 s ASP 2215CO 0.17 -0.57 1.88 1.55 0.52 0.00 0.00 175.17 178.72 1pj3 h PRO 2216N 7.90 0.00 -0.02 4.34 0.13 -1.92 -2.24 132.00 140.19 1pj3 h PRO 2216Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 1pj3 h PRO 2216Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1pj3 h PRO 2216CO 0.88 0.00 -0.07 1.19 -0.23 0.00 0.00 178.00 179.77 1pj3 n PHE 2217N -2.63 0.00 0.00 1.56 3.72 -1.26 -5.16 117.46 113.69 1pj3 n PHE 2217Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1pj3 n PHE 2217Cb 0.20 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.73 1pj3 n PHE 2217CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 1pj3 n TYR 2218N 0.73 -0.82 0.00 1.38 -0.00 -0.85 -4.50 117.16 113.10 1pj3 n TYR 2218Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 58.05 1pj3 n TYR 2218Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.84 1pj3 n TYR 2218CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1pj3 n GLY 2220N 0.00 0.00 3.74 2.98 0.00 -1.26 -5.05 105.19 105.59 1pj3 n GLY 2220Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1pj3 n GLY 2220CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pj3 s LEU 2221N 0.00 4.39 -1.32 0.99 1.02 -1.26 -4.92 118.68 117.58 1pj3 s LEU 2221Ca 0.00 2.54 -0.14 0.00 0.02 0.00 0.00 54.13 56.55 1pj3 s LEU 2221Cb 0.00 -3.61 0.10 0.00 0.02 0.00 0.00 46.19 42.70 1pj3 s LEU 2221CO 0.00 -0.66 1.83 -1.22 0.02 0.00 0.00 176.35 176.32 1pj3 n TYR 2222N 2.86 4.11 -3.60 0.29 4.02 -1.26 -4.56 117.16 119.02 1pj3 n TYR 2222Ca 0.08 -2.98 -0.11 0.00 -0.01 0.00 0.00 57.90 54.89 1pj3 n TYR 2222Cb 0.41 -2.39 -0.04 0.00 -0.02 0.00 0.00 39.34 37.30 1pj3 n TYR 2222CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 176.86 176.99 1pj3 s GLN 2223N 2.65 1.22 0.83 -0.72 -2.07 -1.26 -5.09 119.66 115.22 1pj3 s GLN 2223Ca 0.47 -0.68 -0.11 0.00 -1.82 0.00 0.00 55.36 53.21 1pj3 s GLN 2223Cb 0.06 0.52 0.09 0.00 -1.09 0.00 0.00 33.01 32.59 1pj3 s GLN 2223CO 0.00 -0.51 1.09 0.15 -1.32 0.00 0.00 175.29 174.71 1pj3 s LYS 2224N -3.81 1.83 0.27 9.60 -0.14 -1.25 -0.97 119.74 125.27 1pj3 s LYS 2224Ca 0.04 0.73 -0.30 0.00 -1.36 0.00 0.00 55.97 55.08 1pj3 s LYS 2224Cb 0.00 -1.88 -0.11 0.00 -1.68 0.00 0.00 37.83 34.16 1pj3 s LYS 2224CO -0.10 -1.82 1.52 1.03 -0.76 0.00 0.00 175.35 175.22 1pj3 s ARG 2225N -5.07 4.19 -0.49 1.68 0.52 -1.25 -4.22 118.95 114.32 1pj3 s ARG 2225Ca 0.62 2.45 -0.27 0.00 -0.52 0.00 0.00 55.73 58.00 1pj3 s ARG 2225Cb -0.16 -3.06 0.03 0.00 0.52 0.00 0.00 34.95 32.28 1pj3 s ARG 2225CO 0.55 -0.53 1.06 0.34 0.02 0.00 0.00 175.30 176.74 1pj3 s ASP 2226N 0.43 6.55 -0.10 0.23 -1.08 0.07 -4.87 116.67 117.90 1pj3 s ASP 2226Ca 0.61 0.26 0.15 0.00 -0.52 0.00 0.00 52.55 53.06 1pj3 s ASP 2226Cb -0.45 -2.51 0.54 0.00 -1.46 0.00 0.00 42.92 39.04 1pj3 s ASP 2226CO 0.46 -1.20 1.45 0.54 0.52 0.00 0.00 175.17 176.94 1pj3 n ARG 2227N 7.64 3.25 -1.08 4.34 1.74 -1.26 -4.55 116.66 126.74 1pj3 n ARG 2227Ca 0.09 -2.63 -0.14 0.00 -0.77 0.00 0.00 57.85 54.40 1pj3 n ARG 2227Cb 0.49 -1.70 0.09 0.00 -1.02 0.00 0.00 32.46 30.32 1pj3 n ARG 2227CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1pj3 n THR 2228N 0.41 0.00 0.31 0.55 -2.24 -1.26 -4.91 114.28 107.14 1pj3 n THR 2228Ca 0.20 -0.55 0.19 0.00 -2.27 0.00 0.00 64.05 61.62 1pj3 n THR 2228Cb 0.76 -1.63 0.91 0.00 -2.10 0.00 0.00 70.33 68.27 1pj3 n THR 2228CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 1pj3 h GLN 2229N 0.00 0.00 -0.13 -0.78 5.75 -2.01 -2.06 115.11 115.88 1pj3 h GLN 2229Ca -0.20 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.28 1pj3 h GLN 2229Cb 0.60 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.14 1pj3 h GLN 2229CO 0.16 0.00 -0.00 1.96 -2.65 0.00 0.00 178.83 178.30 1pj3 h GLN 2230N 0.00 0.18 0.29 1.69 4.20 -1.94 -0.40 115.11 119.13 1pj3 h GLN 2230Ca 0.00 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 1pj3 h GLN 2230Cb 0.25 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.00 1pj3 h GLN 2230CO 0.00 0.20 -0.14 -0.92 -0.67 0.00 0.00 178.83 177.31 1pj3 h TYR 2231N 0.18 -0.35 -0.78 2.96 3.20 -1.61 0.48 116.97 121.05 1pj3 h TYR 2231Ca 0.04 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 61.94 1pj3 h TYR 2231Cb 0.13 0.12 -0.05 0.00 1.54 0.00 0.00 36.73 38.47 1pj3 h TYR 2231CO 0.00 -0.15 0.50 -0.44 -1.64 0.00 0.00 178.16 176.43 1pj3 h ASP 2232N -0.49 0.82 -0.87 -2.11 3.45 -1.53 -1.74 116.42 113.95 1pj3 h ASP 2232Ca -0.04 -0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.41 1pj3 h ASP 2232Cb 0.36 -0.18 -0.04 0.00 -0.56 0.00 0.00 39.33 38.91 1pj3 h ASP 2232CO 0.06 0.57 0.50 0.44 -1.57 0.00 0.00 179.24 179.25 1pj3 h ASP 2233N 0.97 1.06 0.09 6.45 3.45 -0.89 -0.59 116.42 126.96 1pj3 h ASP 2233Ca 0.31 -0.08 -0.00 0.00 0.43 0.00 0.00 57.03 57.68 1pj3 h ASP 2233Cb 0.00 -0.27 0.00 0.00 -0.56 0.00 0.00 39.33 38.50 1pj3 h ASP 2233CO -0.11 0.84 -0.04 0.25 -1.57 0.00 0.00 179.24 178.60 1pj3 h LEU 2234N 1.20 -0.10 -1.17 1.55 5.85 -0.10 0.18 115.31 122.71 1pj3 h LEU 2234Ca 0.31 -0.09 0.06 0.00 0.84 0.00 0.00 57.88 59.00 1pj3 h LEU 2234Cb -0.01 0.03 -0.06 0.00 0.37 0.00 0.00 40.66 40.99 1pj3 h LEU 2234CO -0.05 0.02 0.58 0.40 -0.34 0.00 0.00 178.44 179.04 1pj3 h ILE 2235N -0.22 1.08 -0.42 4.05 1.08 -1.09 0.57 117.51 122.55 1pj3 h ILE 2235Ca -0.01 -0.35 -0.10 0.00 -0.39 0.00 0.00 64.86 64.01 1pj3 h ILE 2235Cb 0.18 -0.03 -0.01 0.00 -3.07 0.00 0.00 36.82 33.89 1pj3 h ILE 2235CO 0.02 0.19 -0.11 -0.78 -0.69 0.00 0.00 178.15 176.78 1pj3 h ASP 2236N 1.02 0.83 -0.33 1.72 1.82 -0.74 -2.74 116.42 118.00 1pj3 h ASP 2236Ca 0.37 -0.36 -0.04 0.00 -0.39 0.00 0.00 57.03 56.61 1pj3 h ASP 2236Cb 0.16 -0.23 -0.02 0.00 0.68 0.00 0.00 39.33 39.93 1pj3 h ASP 2236CO -0.13 1.00 0.08 -0.08 -1.61 0.00 0.00 179.24 178.50 1pj3 h GLU 2237N 0.64 0.61 -0.88 0.28 4.81 0.54 -1.99 114.58 118.58 1pj3 h GLU 2237Ca 0.11 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1pj3 h GLU 2237Cb 0.64 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.92 1pj3 h GLU 2237CO 0.04 0.57 0.00 0.34 -0.73 0.00 0.00 179.01 179.24 1pj3 n PHE 2238N -4.31 0.00 0.00 0.92 7.35 0.08 -1.22 117.46 120.28 1pj3 n PHE 2238Ca 0.02 -0.08 0.00 0.00 -0.76 0.00 0.00 57.45 56.63 1pj3 n PHE 2238Cb 0.21 -0.09 0.00 0.00 0.35 0.00 0.00 39.48 39.95 1pj3 n PHE 2238CO 0.00 0.00 0.00 1.17 -0.76 0.00 0.00 176.76 177.17 1pj3 n LYS 2240N 0.49 0.00 -0.11 -4.13 4.81 -0.75 -1.06 118.16 117.41 1pj3 n LYS 2240Ca 0.00 0.00 -0.08 0.00 -0.87 0.00 0.00 58.31 57.36 1pj3 n LYS 2240Cb 0.15 0.00 -0.00 0.00 0.02 0.00 0.00 35.03 35.19 1pj3 n LYS 2240CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1pj3 h ALA 2241N 0.00 0.44 -0.04 3.14 0.00 -1.42 0.27 119.26 121.65 1pj3 h ALA 2241Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1pj3 h ALA 2241Cb 0.00 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1pj3 h ALA 2241CO 0.00 -0.14 0.02 0.82 0.00 0.00 0.00 179.25 179.95 1pj3 h ILE 2242N 0.43 1.00 -0.14 0.00 1.08 -1.35 -2.33 117.51 116.20 1pj3 h ILE 2242Ca 0.14 -0.01 -0.12 0.00 -0.39 0.00 0.00 64.86 64.47 1pj3 h ILE 2242Cb -0.00 0.96 -0.01 0.00 -3.07 0.00 0.00 36.82 34.69 1pj3 h ILE 2242CO -0.06 0.01 -0.44 0.71 -0.69 0.00 0.00 178.15 177.68 1pj3 h THR 2243N 0.04 1.32 -0.82 -0.27 1.35 -1.72 -1.14 112.91 111.67 1pj3 h THR 2243Ca 0.01 -1.60 -0.03 0.00 -0.55 0.00 0.00 66.41 64.24 1pj3 h THR 2243Cb 0.00 1.69 -0.04 0.00 -1.73 0.00 0.00 68.15 68.08 1pj3 h THR 2243CO -0.01 0.48 0.38 0.44 -0.25 0.00 0.00 175.52 176.57 1pj3 h ASP 2244N 0.27 1.09 0.14 5.36 3.32 -0.25 0.35 116.42 126.69 1pj3 h ASP 2244Ca 0.02 -0.14 -0.26 0.00 0.02 0.00 0.00 57.03 56.67 1pj3 h ASP 2244Cb 0.88 -0.28 0.01 0.00 0.22 0.00 0.00 39.33 40.16 1pj3 h ASP 2244CO 0.07 0.92 -1.27 -0.09 -1.72 0.00 0.00 179.24 177.15 1pj3 h ARG 2245N 1.18 0.29 -0.01 3.56 2.43 -1.31 -3.40 114.38 117.13 1pj3 h ARG 2245Ca 0.28 -0.50 0.00 0.00 -0.81 0.00 0.00 59.98 58.95 1pj3 h ARG 2245Cb 0.14 0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 1pj3 h ARG 2245CO -0.03 1.24 -0.56 0.66 -1.51 0.00 0.00 179.97 179.76 1pj3 n TYR 2246N -3.94 0.00 0.00 2.20 4.02 -0.44 -5.04 117.16 113.95 1pj3 n TYR 2246Ca -0.21 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.68 1pj3 n TYR 2246Cb 0.91 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.23 1pj3 n TYR 2246CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1pj3 n GLY 2247N 1.32 3.13 0.23 2.72 0.00 0.12 -4.72 105.19 108.00 1pj3 n GLY 2247Ca 0.06 -1.78 0.07 0.00 0.00 0.00 0.00 46.02 44.37 1pj3 n GLY 2247CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1pj3 h ARG 2248N 0.00 0.00 -0.65 1.61 9.65 -1.94 -2.79 114.38 120.26 1pj3 h ARG 2248Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1pj3 h ARG 2248Cb 0.00 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.58 1pj3 h ARG 2248CO 0.00 0.21 0.00 0.27 2.80 0.00 0.00 179.97 183.25 1pj3 n ASN 2249N -4.07 4.19 -4.69 -3.80 0.23 -1.26 -4.12 115.26 101.74 1pj3 n ASN 2249Ca -0.02 -2.51 -0.42 0.00 -0.53 0.00 0.00 54.58 51.10 1pj3 n ASN 2249Cb 0.28 -0.57 -0.03 0.00 -2.08 0.00 0.00 39.78 37.39 1pj3 n ASN 2249CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 1pj3 s THR 2250N -2.04 3.06 -0.01 5.53 2.01 -1.05 -4.85 115.64 118.30 1pj3 s THR 2250Ca 0.41 0.50 -0.30 0.00 0.31 0.00 0.00 61.69 62.61 1pj3 s THR 2250Cb 0.28 -3.32 -0.06 0.00 0.01 0.00 0.00 72.50 69.41 1pj3 s THR 2250CO 0.16 -0.00 1.54 -0.22 -0.69 0.00 0.00 174.62 175.41 1pj3 s LEU 2251N 2.67 4.32 -0.25 4.42 0.20 -0.82 -4.38 118.68 124.84 1pj3 s LEU 2251Ca 0.74 2.23 0.03 0.00 0.69 0.00 0.00 54.13 57.81 1pj3 s LEU 2251Cb -0.39 -3.55 0.05 0.00 -0.43 0.00 0.00 46.19 41.87 1pj3 s LEU 2251CO 0.32 -0.83 -0.12 -0.63 -0.29 0.00 0.00 176.35 174.80 1pj3 s ILE 2252N 3.05 2.16 -0.35 6.68 1.01 -0.08 -0.35 121.20 133.33 1pj3 s ILE 2252Ca 0.69 -1.55 -0.12 0.00 0.00 0.00 0.00 60.65 59.67 1pj3 s ILE 2252Cb -0.34 -2.23 -0.01 0.00 0.01 0.00 0.00 42.46 39.90 1pj3 s ILE 2252CO 0.28 0.04 0.22 -1.58 0.00 0.00 0.00 174.94 173.91 1pj3 s GLN 2253N 1.13 3.31 0.15 2.79 0.74 0.10 -2.40 119.66 125.48 1pj3 s GLN 2253Ca -0.07 -0.76 -0.30 0.00 0.05 0.00 0.00 55.36 54.28 1pj3 s GLN 2253Cb -0.19 -3.76 -0.07 0.00 1.10 0.00 0.00 33.01 30.09 1pj3 s GLN 2253CO -0.06 -0.51 0.96 -0.06 -0.55 0.00 0.00 175.29 175.08 1pj3 s PHE 2254N 1.67 3.85 -0.01 1.67 0.40 -0.46 -1.23 117.98 123.87 1pj3 s PHE 2254Ca 0.05 1.82 0.00 0.00 -0.60 0.00 0.00 56.93 58.20 1pj3 s PHE 2254Cb -0.18 -3.05 0.02 0.00 0.51 0.00 0.00 43.02 40.32 1pj3 s PHE 2254CO 0.09 0.23 0.02 -2.00 0.70 0.00 0.00 175.22 174.25 1pj3 s GLU 2255N -0.31 0.02 -1.45 0.44 2.56 0.81 -2.20 118.70 118.56 1pj3 s GLU 2255Ca 0.46 0.11 -0.11 0.00 0.00 0.00 0.00 54.97 55.43 1pj3 s GLU 2255Cb -0.24 -0.20 0.07 0.00 2.00 0.00 0.00 34.13 35.76 1pj3 s GLU 2255CO 0.31 -0.11 0.73 -0.25 -0.56 0.00 0.00 175.26 175.38 1pj3 n ASP 2256N 3.81 -4.57 -4.89 -1.70 9.92 -1.26 -4.04 116.55 113.80 1pj3 n ASP 2256Ca -0.23 -0.56 -0.29 0.00 -0.53 0.00 0.00 54.79 53.18 1pj3 n ASP 2256Cb 0.53 -3.70 0.04 0.00 -0.64 0.00 0.00 41.12 37.35 1pj3 n ASP 2256CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 1pj3 s PHE 2257N -3.14 3.33 0.88 1.24 0.40 -1.26 -1.70 117.98 117.74 1pj3 s PHE 2257Ca 0.51 0.94 -0.11 0.00 -0.60 0.00 0.00 56.93 57.67 1pj3 s PHE 2257Cb -0.26 -2.93 0.12 0.00 0.51 0.00 0.00 43.02 40.46 1pj3 s PHE 2257CO 0.63 -1.02 1.09 0.20 0.70 0.00 0.00 175.22 176.82 1pj3 s GLY 2258N -4.33 1.62 0.15 4.36 0.00 -1.26 -4.32 107.32 103.55 1pj3 s GLY 2258Ca 0.56 -0.02 -0.17 0.00 0.00 0.00 0.00 44.72 45.09 1pj3 s GLY 2258CO 0.50 0.45 1.71 -0.57 0.00 0.00 0.00 173.10 175.19 1pj3 h ASN 2259N -1.51 -0.12 -0.64 1.64 -0.73 -1.96 -0.85 115.58 111.41 1pj3 h ASN 2259Ca -0.49 0.07 -0.02 0.00 1.87 0.00 0.00 56.30 57.73 1pj3 h ASN 2259Cb 1.28 0.13 -0.03 0.00 0.27 0.00 0.00 38.32 39.96 1pj3 h ASN 2259CO 0.54 -0.02 0.30 -0.74 -0.37 0.00 0.00 177.43 177.14 1pj3 h HIS 2260N 0.10 0.92 0.02 0.67 2.76 -2.03 -3.20 115.15 114.39 1pj3 h HIS 2260Ca 0.16 -0.05 -0.21 0.00 -2.20 0.00 0.00 60.37 58.07 1pj3 h HIS 2260Cb 0.21 -0.28 -0.01 0.00 1.55 0.00 0.00 27.41 28.87 1pj3 h HIS 2260CO -0.23 0.70 -0.95 -0.91 -1.30 0.00 0.00 177.93 175.24 1pj3 h ASN 2261N 0.88 0.19 -0.05 3.26 -0.26 -1.90 -3.28 115.58 114.41 1pj3 h ASN 2261Ca 0.22 -0.17 0.04 0.00 -0.56 0.00 0.00 56.30 55.83 1pj3 h ASN 2261Cb 0.13 -0.06 -0.06 0.00 -1.06 0.00 0.00 38.32 37.27 1pj3 h ASN 2261CO -0.03 1.03 -0.34 0.00 -1.06 0.00 0.00 177.43 177.03 1pj3 h ALA 2262N 0.95 -0.47 -0.34 -0.83 0.00 -1.15 -0.73 119.26 116.69 1pj3 h ALA 2262Ca -0.04 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.72 1pj3 h ALA 2262Cb 1.62 0.62 -0.01 0.00 0.00 0.00 0.00 17.79 20.02 1pj3 h ALA 2262CO 0.14 -0.85 -0.34 0.74 0.00 0.00 0.00 179.25 178.94 1pj3 h PHE 2263N -0.47 0.92 0.04 0.00 -1.00 -1.72 -2.62 116.94 112.09 1pj3 h PHE 2263Ca 0.07 -0.25 0.02 0.00 2.81 0.00 0.00 57.97 60.62 1pj3 h PHE 2263Cb 0.57 -0.20 -0.04 0.00 3.61 0.00 0.00 35.95 39.90 1pj3 h PHE 2263CO -0.38 1.01 -0.21 -0.09 -1.61 0.00 0.00 178.31 177.03 1pj3 h ARG 2264N 0.65 -0.35 -0.20 1.51 2.43 -1.52 -0.88 114.38 116.02 1pj3 h ARG 2264Ca 0.06 0.02 -0.16 0.00 -0.81 0.00 0.00 59.98 59.10 1pj3 h ARG 2264Cb 0.89 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.51 1pj3 h ARG 2264CO 0.08 -0.23 -0.52 0.74 -1.51 0.00 0.00 179.97 178.53 1pj3 h PHE 2265N -0.36 0.70 -0.16 2.20 0.05 -1.19 -0.87 116.94 117.30 1pj3 h PHE 2265Ca 0.05 -0.24 0.01 0.00 3.82 0.00 0.00 57.97 61.61 1pj3 h PHE 2265Cb 0.42 -0.13 -0.01 0.00 2.00 0.00 0.00 35.95 38.22 1pj3 h PHE 2265CO -0.24 0.96 0.07 1.25 -0.18 0.00 0.00 178.31 180.18 1pj3 h LEU 2266N 0.44 0.10 -0.37 1.54 5.85 -1.24 0.11 115.31 121.73 1pj3 h LEU 2266Ca 0.01 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.69 1pj3 h LEU 2266Cb 1.06 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.07 1pj3 h LEU 2266CO 0.10 0.08 0.03 -0.09 -0.34 0.00 0.00 178.44 178.22 1pj3 h ARG 2267N 0.16 0.64 -0.37 1.25 2.43 -1.09 -0.02 114.38 117.38 1pj3 h ARG 2267Ca 0.07 -0.19 -0.06 0.00 -0.81 0.00 0.00 59.98 58.99 1pj3 h ARG 2267Cb 0.03 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.49 1pj3 h ARG 2267CO -0.06 0.72 -0.02 -0.22 -1.51 0.00 0.00 179.97 178.88 1pj3 h LYS 2268N 0.47 0.60 0.00 0.20 3.64 -0.93 -3.35 116.57 117.20 1pj3 h LYS 2268Ca 0.11 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1pj3 h LYS 2268Cb 0.41 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 1pj3 h LYS 2268CO 0.01 0.63 -1.24 0.66 -2.27 0.00 0.00 179.45 177.25 1pj3 n TYR 2269N -4.25 0.00 -0.04 1.91 0.53 0.01 -4.59 117.16 110.73 1pj3 n TYR 2269Ca 0.02 0.00 0.16 0.00 -1.02 0.00 0.00 57.90 57.06 1pj3 n TYR 2269Cb 0.27 -0.19 0.60 0.00 -1.03 0.00 0.00 39.34 39.00 1pj3 n TYR 2269CO 0.00 0.00 0.00 0.07 -1.02 0.00 0.00 176.86 175.91 1pj3 h ARG 2270N 0.00 0.18 0.00 -0.72 0.11 -1.12 0.34 114.38 113.17 1pj3 h ARG 2270Ca 0.00 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.07 1pj3 h ARG 2270Cb 0.51 -0.04 0.00 0.00 1.11 0.00 0.00 29.97 31.55 1pj3 h ARG 2270CO 0.00 0.12 -0.88 0.39 0.10 0.00 0.00 179.97 179.70 1pj3 n GLU 2271N -4.43 0.26 -0.08 0.08 -0.58 -1.26 -4.27 120.64 110.36 1pj3 n GLU 2271Ca 0.10 0.02 -0.12 0.00 -0.42 0.00 0.00 57.16 56.74 1pj3 n GLU 2271Cb 0.50 -1.61 -0.15 0.00 -0.57 0.00 0.00 31.44 29.61 1pj3 n GLU 2271CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1pj3 n LYS 2272N -1.96 0.67 -4.52 3.49 4.81 -0.18 -5.02 118.16 115.47 1pj3 n LYS 2272Ca 0.03 0.11 -0.26 0.00 -0.87 0.00 0.00 58.31 57.32 1pj3 n LYS 2272Cb 0.43 -1.60 -0.08 0.00 0.02 0.00 0.00 35.03 33.80 1pj3 n LYS 2272CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 1pj3 s TYR 2273N -2.53 1.78 -1.06 5.64 1.51 0.10 -5.07 117.35 117.74 1pj3 s TYR 2273Ca -0.14 -1.32 -0.12 0.00 -1.01 0.00 0.00 57.07 54.48 1pj3 s TYR 2273Cb 0.07 -1.14 0.23 0.00 -0.11 0.00 0.00 41.96 41.01 1pj3 s TYR 2273CO 0.79 -0.34 1.11 0.00 -1.11 0.00 0.00 175.55 175.99 1pj3 s THR 2275N -0.04 0.33 0.18 0.00 -1.32 -1.26 -0.90 115.64 112.63 1pj3 s THR 2275Ca 0.31 -1.41 -0.16 0.00 -1.21 0.00 0.00 61.69 59.21 1pj3 s THR 2275Cb -0.08 -0.98 0.02 0.00 -1.51 0.00 0.00 72.50 69.95 1pj3 s THR 2275CO -0.07 -0.71 0.47 0.72 -2.21 0.00 0.00 174.62 172.83 1pj3 s PHE 2276N -2.63 -0.05 -0.27 9.09 -0.12 -1.01 -4.55 117.98 118.45 1pj3 s PHE 2276Ca -0.03 -0.29 -0.03 0.00 -0.05 0.00 0.00 56.93 56.53 1pj3 s PHE 2276Cb -0.01 0.31 0.02 0.00 -0.63 0.00 0.00 43.02 42.71 1pj3 s PHE 2276CO -0.04 -0.86 -0.01 1.21 -0.05 0.00 0.00 175.22 175.47 1pj3 s ASN 2277N -2.88 4.65 0.23 1.98 3.84 -1.26 -1.35 114.94 120.15 1pj3 s ASN 2277Ca 0.10 -0.88 -0.06 0.00 0.21 0.00 0.00 52.86 52.23 1pj3 s ASN 2277Cb -0.00 -1.74 0.34 0.00 -0.55 0.00 0.00 41.25 39.30 1pj3 s ASN 2277CO -0.04 -0.17 1.82 -0.78 -2.79 0.00 0.00 177.10 175.14 1pj3 h ASP 2278N 8.08 0.66 -0.58 -4.21 3.58 -1.80 0.12 116.42 122.27 1pj3 h ASP 2278Ca -0.31 0.04 -0.05 0.00 0.42 0.00 0.00 57.03 57.13 1pj3 h ASP 2278Cb 1.11 -0.09 -0.03 0.00 1.72 0.00 0.00 39.33 42.04 1pj3 h ASP 2278CO 0.58 0.40 0.16 0.44 -2.88 0.00 0.00 179.24 177.94 1pj3 h ASP 2279N 0.79 0.89 0.00 2.28 3.32 -1.95 0.01 116.42 121.75 1pj3 h ASP 2279Ca 0.37 -0.16 -0.02 0.00 0.02 0.00 0.00 57.03 57.23 1pj3 h ASP 2279Cb 0.29 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.60 1pj3 h ASP 2279CO -0.22 0.85 -0.27 0.40 -1.72 0.00 0.00 179.24 178.28 1pj3 h ILE 2280N 0.91 0.39 0.13 0.35 2.04 -1.69 -3.35 117.51 116.30 1pj3 h ILE 2280Ca 0.20 -1.35 -0.33 0.00 1.00 0.00 0.00 64.86 64.38 1pj3 h ILE 2280Cb 0.30 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 1pj3 h ILE 2280CO -0.00 0.13 -1.68 1.56 0.00 0.00 0.00 178.15 178.16 1pj3 h GLN 2281N -1.00 0.28 -0.34 2.37 4.20 -0.86 -3.10 115.11 116.66 1pj3 h GLN 2281Ca -0.04 -0.48 -0.17 0.00 0.06 0.00 0.00 58.65 58.02 1pj3 h GLN 2281Cb 0.44 0.18 -0.00 0.00 0.30 0.00 0.00 27.48 28.39 1pj3 h GLN 2281CO -0.02 1.15 -0.46 0.78 -0.67 0.00 0.00 178.83 179.61 1pj3 h GLY 2282N 1.41 0.98 1.30 3.46 0.00 -1.09 -2.57 103.07 106.55 1pj3 h GLY 2282Ca -0.30 -1.06 -0.09 0.00 0.00 0.00 0.00 47.33 45.87 1pj3 h GLY 2282CO 0.15 0.96 -0.07 -0.84 0.00 0.00 0.00 176.54 176.74 1pj3 h THR 2283N 0.71 1.26 -0.13 4.70 2.02 -1.56 -2.67 112.91 117.24 1pj3 h THR 2283Ca 0.04 -1.14 0.02 0.00 0.77 0.00 0.00 66.41 66.11 1pj3 h THR 2283Cb 1.06 0.97 -0.02 0.00 -1.74 0.00 0.00 68.15 68.41 1pj3 h THR 2283CO 0.11 0.39 -0.02 0.00 0.37 0.00 0.00 175.52 176.37 1pj3 h ALA 2284N 1.16 0.10 -0.44 6.16 0.00 -1.44 -1.06 119.26 123.74 1pj3 h ALA 2284Ca 0.13 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1pj3 h ALA 2284Cb 0.56 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1pj3 h ALA 2284CO 0.03 -0.47 0.21 0.00 0.00 0.00 0.00 179.25 179.02 1pj3 h ALA 2285N 1.12 0.57 -0.42 0.00 0.00 -1.33 -0.21 119.26 119.01 1pj3 h ALA 2285Ca 0.06 -0.12 -0.14 0.00 0.00 0.00 0.00 54.91 54.71 1pj3 h ALA 2285Cb 0.09 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1pj3 h ALA 2285CO -0.12 0.14 -0.28 -0.24 0.00 0.00 0.00 179.25 178.74 1pj3 h VAL 2286N 0.57 1.27 -0.03 0.00 3.04 -1.37 0.31 116.25 120.04 1pj3 h VAL 2286Ca 0.15 -1.45 -0.00 0.00 -1.01 0.00 0.00 66.70 64.39 1pj3 h VAL 2286Cb 0.13 1.29 -0.00 0.00 -2.01 0.00 0.00 31.29 30.70 1pj3 h VAL 2286CO -0.02 0.49 0.01 0.00 -1.01 0.00 0.00 177.57 177.04 1pj3 h ALA 2287N 0.81 0.04 -0.80 3.17 0.00 -1.10 -1.51 119.26 119.86 1pj3 h ALA 2287Ca 0.08 -0.09 0.09 0.00 0.00 0.00 0.00 54.91 54.99 1pj3 h ALA 2287Cb 0.86 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.57 1pj3 h ALA 2287CO 0.08 -0.38 0.46 1.25 0.00 0.00 0.00 179.25 180.66 1pj3 h LEU 2288N -0.12 0.66 -1.57 0.00 5.85 -0.94 0.15 115.31 119.33 1pj3 h LEU 2288Ca 0.01 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.78 1pj3 h LEU 2288Cb 0.17 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 1pj3 h LEU 2288CO -0.00 0.38 0.30 0.00 -0.34 0.00 0.00 178.44 178.78 1pj3 h ALA 2289N 1.44 1.71 -0.43 1.25 0.00 -0.57 -0.75 119.26 121.91 1pj3 h ALA 2289Ca 0.38 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.18 1pj3 h ALA 2289Cb 0.33 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1pj3 h ALA 2289CO -0.23 0.26 -0.05 0.78 0.00 0.00 0.00 179.25 180.01 1pj3 h GLY 2290N 0.58 0.86 1.14 0.00 0.00 0.29 -2.32 103.07 103.62 1pj3 h GLY 2290Ca 0.17 -0.67 -0.06 0.00 0.00 0.00 0.00 47.33 46.77 1pj3 h GLY 2290CO -0.04 0.61 0.17 1.41 0.00 0.00 0.00 176.54 178.69 1pj3 h LEU 2291N 0.62 1.01 -0.63 3.11 4.07 -0.45 -1.58 115.31 121.47 1pj3 h LEU 2291Ca 0.12 -0.21 -0.01 0.00 0.08 0.00 0.00 57.88 57.86 1pj3 h LEU 2291Cb 0.56 -0.27 -0.03 0.00 1.08 0.00 0.00 40.66 42.00 1pj3 h LEU 2291CO 0.03 0.97 0.34 -0.07 -1.08 0.00 0.00 178.44 178.63 1pj3 h LEU 2292N 1.02 0.78 -0.64 1.67 4.07 -1.02 0.45 115.31 121.64 1pj3 h LEU 2292Ca 0.22 -0.09 -0.06 0.00 0.08 0.00 0.00 57.88 58.02 1pj3 h LEU 2292Cb 0.35 -0.20 -0.03 0.00 1.08 0.00 0.00 40.66 41.87 1pj3 h LEU 2292CO 0.00 0.65 0.15 0.00 -1.08 0.00 0.00 178.44 178.16 1pj3 h ALA 2293N 1.16 0.85 -0.34 1.53 0.00 -1.20 -2.73 119.26 118.53 1pj3 h ALA 2293Ca 0.22 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.92 1pj3 h ALA 2293Cb 0.04 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 1pj3 h ALA 2293CO -0.04 0.57 0.17 0.00 0.00 0.00 0.00 179.25 179.95 1pj3 h ALA 2294N 1.06 0.41 -0.11 0.00 0.00 -0.63 -1.14 119.26 118.85 1pj3 h ALA 2294Ca 0.20 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.15 1pj3 h ALA 2294Cb 0.37 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1pj3 h ALA 2294CO 0.00 -0.21 0.17 0.37 0.00 0.00 0.00 179.25 179.59 1pj3 h GLN 2295N 0.35 0.00 -0.44 0.00 5.75 -0.63 0.71 115.11 120.85 1pj3 h GLN 2295Ca 0.14 0.00 -0.08 0.00 -0.15 0.00 0.00 58.65 58.56 1pj3 h GLN 2295Cb 0.05 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.59 1pj3 h GLN 2295CO -0.10 0.00 -0.06 0.87 -2.65 0.00 0.00 178.83 176.89 1pj3 h LYS 2296N 0.00 0.75 0.17 1.69 1.57 -1.00 0.15 116.57 119.90 1pj3 h LYS 2296Ca 0.05 -0.22 -0.35 0.00 -1.87 0.00 0.00 60.65 58.26 1pj3 h LYS 2296Cb 0.40 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.63 1pj3 h LYS 2296CO -0.00 0.80 -1.77 -0.39 -0.57 0.00 0.00 179.45 177.52 1pj3 h VAL 2297N 0.69 0.91 0.11 0.50 -1.51 -0.94 -3.40 116.25 112.60 1pj3 h VAL 2297Ca 0.13 -2.52 -0.01 0.00 -1.23 0.00 0.00 66.70 63.07 1pj3 h VAL 2297Cb 0.51 2.72 0.00 0.00 -2.13 0.00 0.00 31.29 32.39 1pj3 h VAL 2297CO 0.03 0.86 -0.05 0.40 -1.23 0.00 0.00 177.57 177.57 1pj3 h ILE 2298N 0.10 0.60 0.00 7.19 2.04 -1.25 -3.47 117.51 122.72 1pj3 h ILE 2298Ca -0.35 -1.25 0.00 0.00 1.00 0.00 0.00 64.86 64.27 1pj3 h ILE 2298Cb 2.08 1.09 0.00 0.00 -0.74 0.00 0.00 36.82 39.25 1pj3 h ILE 2298CO 0.16 0.18 0.00 -1.20 0.00 0.00 0.00 178.15 177.30 1pj3 n SER 2299N -4.84 -3.20 -4.77 1.72 7.64 0.53 -4.97 113.62 105.73 1pj3 n SER 2299Ca -0.05 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.43 1pj3 n SER 2299Cb 0.20 -1.83 -0.00 0.00 -1.01 0.00 0.00 64.21 61.57 1pj3 n SER 2299CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1pj3 s LYS 2300N -0.88 4.04 0.14 1.43 2.20 -1.26 -4.92 119.74 120.48 1pj3 s LYS 2300Ca 0.00 2.34 -0.35 0.00 -0.36 0.00 0.00 55.97 57.60 1pj3 s LYS 2300Cb 0.00 -2.87 -0.15 0.00 -1.51 0.00 0.00 37.83 33.31 1pj3 s LYS 2300CO 0.00 -0.50 1.51 -2.30 -0.36 0.00 0.00 175.35 173.70 1pj3 n PRO 2301N 0.31 1.86 0.33 4.03 -0.02 -1.26 -4.84 135.00 135.41 1pj3 n PRO 2301Ca 0.02 0.67 0.18 0.00 -2.02 0.00 0.00 63.50 62.35 1pj3 n PRO 2301Cb 0.42 -2.40 0.94 0.00 -0.02 0.00 0.00 33.50 32.44 1pj3 n PRO 2301CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1pj3 h ILE 2302N 3.55 0.00 0.00 4.25 -0.00 -1.97 0.35 117.51 123.69 1pj3 h ILE 2302Ca -0.46 0.00 -0.00 0.00 -0.00 0.00 0.00 64.86 64.40 1pj3 h ILE 2302Cb 1.28 0.77 -0.00 0.00 -0.00 0.00 0.00 36.82 38.87 1pj3 h ILE 2302CO 0.86 0.00 -0.01 0.77 -0.00 0.00 0.00 178.15 179.77 1pj3 h SER 2303N 0.00 0.00 0.28 2.19 4.64 -2.01 -2.35 113.55 116.30 1pj3 h SER 2303Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1pj3 h SER 2303Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 1pj3 h SER 2303CO 0.00 0.01 -0.45 -0.62 -0.87 0.00 0.00 176.83 174.90 1pj3 n GLU 2304N -3.10 0.49 -2.34 4.77 1.02 0.12 -4.89 120.64 116.70 1pj3 n GLU 2304Ca 0.01 -0.32 -0.42 0.00 -0.02 0.00 0.00 57.16 56.41 1pj3 n GLU 2304Cb 0.34 -1.49 -0.03 0.00 -0.02 0.00 0.00 31.44 30.24 1pj3 n GLU 2304CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1pj3 s HIS 2305N -2.73 2.92 -0.18 -0.32 3.76 -0.89 -4.81 115.29 113.05 1pj3 s HIS 2305Ca 0.17 0.97 -0.03 0.00 -0.15 0.00 0.00 55.06 56.02 1pj3 s HIS 2305Cb 0.18 -3.55 0.06 0.00 1.11 0.00 0.00 32.58 30.37 1pj3 s HIS 2305CO 0.63 -1.94 0.03 0.21 -0.85 0.00 0.00 174.74 172.81 1pj3 s LYS 2306N 2.70 0.68 -0.12 1.40 2.20 -1.26 -4.86 119.74 120.49 1pj3 s LYS 2306Ca 0.59 -0.36 -0.08 0.00 -0.36 0.00 0.00 55.97 55.77 1pj3 s LYS 2306Cb -0.27 -1.97 -0.04 0.00 -1.51 0.00 0.00 37.83 34.04 1pj3 s LYS 2306CO 0.22 -0.59 0.16 0.42 -0.36 0.00 0.00 175.35 175.20 1pj3 s ILE 2307N 1.86 5.48 -0.10 5.43 1.09 -0.04 -1.32 121.20 133.60 1pj3 s ILE 2307Ca -0.00 0.25 0.00 0.00 -1.10 0.00 0.00 60.65 59.80 1pj3 s ILE 2307Cb -0.16 -3.42 0.02 0.00 -1.06 0.00 0.00 42.46 37.84 1pj3 s ILE 2307CO -0.08 0.61 -0.09 -0.22 -0.10 0.00 0.00 174.94 175.07 1pj3 s LEU 2308N -0.98 1.31 -0.01 2.97 2.96 -0.10 -0.63 118.68 124.20 1pj3 s LEU 2308Ca 0.15 -0.31 -0.08 0.00 -0.22 0.00 0.00 54.13 53.67 1pj3 s LEU 2308Cb -0.12 -0.85 -0.05 0.00 0.50 0.00 0.00 46.19 45.67 1pj3 s LEU 2308CO 0.04 -0.08 0.28 -0.36 -1.32 0.00 0.00 176.35 174.92 1pj3 s PHE 2309N 1.44 3.61 -0.41 5.38 0.08 0.23 -1.59 117.98 126.72 1pj3 s PHE 2309Ca 0.00 0.66 -0.11 0.00 0.12 0.00 0.00 56.93 57.60 1pj3 s PHE 2309Cb -0.13 -2.05 0.06 0.00 -0.57 0.00 0.00 43.02 40.32 1pj3 s PHE 2309CO -0.05 0.63 0.27 -1.17 -0.10 0.00 0.00 175.22 174.80 1pj3 s LEU 2310N -1.50 5.10 0.00 -0.37 2.96 0.07 -1.04 118.68 123.89 1pj3 s LEU 2310Ca 0.25 -1.27 0.00 0.00 -0.22 0.00 0.00 54.13 52.89 1pj3 s LEU 2310Cb -0.14 -2.05 0.00 0.00 0.50 0.00 0.00 46.19 44.50 1pj3 s LEU 2310CO 0.13 -0.51 0.00 0.61 -1.32 0.00 0.00 176.35 175.27 1pj3 n GLY 2311N 5.02 2.85 2.77 7.98 0.00 0.96 -1.12 105.19 123.64 1pj3 n GLY 2311Ca -0.11 -1.72 -0.03 0.00 0.00 0.00 0.00 46.02 44.16 1pj3 n GLY 2311CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pj3 n ALA 2312N 0.43 2.82 -2.33 4.61 0.00 -1.26 -4.33 120.51 120.45 1pj3 n ALA 2312Ca 0.00 -2.71 0.00 0.00 0.00 0.00 0.00 53.44 50.73 1pj3 n ALA 2312Cb 0.00 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 18.55 1pj3 n ALA 2312CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pj3 n GLY 2313N -0.49 2.95 0.35 0.00 0.00 -1.26 -4.74 105.19 102.00 1pj3 n GLY 2313Ca 0.06 -1.82 -0.10 0.00 0.00 0.00 0.00 46.02 44.16 1pj3 n GLY 2313CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1pj3 h GLU 2314N 0.00 -0.34 -0.30 1.61 5.08 -1.93 -0.16 114.58 118.54 1pj3 h GLU 2314Ca 0.00 0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.31 1pj3 h GLU 2314Cb 0.00 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1pj3 h GLU 2314CO 0.00 -0.23 -0.11 0.00 -1.00 0.00 0.00 179.01 177.68 1pj3 h ALA 2315N 0.50 0.42 -0.17 3.43 0.00 -1.89 -1.07 119.26 120.48 1pj3 h ALA 2315Ca 0.12 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 1pj3 h ALA 2315Cb 0.55 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1pj3 h ALA 2315CO -0.43 0.27 0.09 0.00 0.00 0.00 0.00 179.25 179.18 1pj3 h ALA 2316N 0.77 0.21 -0.53 0.00 0.00 -1.82 0.05 119.26 117.95 1pj3 h ALA 2316Ca 0.07 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 1pj3 h ALA 2316Cb 0.61 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1pj3 h ALA 2316CO 0.04 -0.25 -0.05 -0.07 0.00 0.00 0.00 179.25 178.91 1pj3 h LEU 2317N 0.17 0.92 -0.24 0.00 3.38 -1.05 0.19 115.31 118.68 1pj3 h LEU 2317Ca 0.06 -0.27 -0.04 0.00 0.09 0.00 0.00 57.88 57.73 1pj3 h LEU 2317Cb 0.07 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1pj3 h LEU 2317CO -0.01 1.00 0.01 1.23 0.09 0.00 0.00 178.44 180.76 1pj3 h GLY 2318N 0.98 0.45 0.88 0.83 0.00 -1.03 -0.71 103.07 104.47 1pj3 h GLY 2318Ca 0.15 -0.33 -0.02 0.00 0.00 0.00 0.00 47.33 47.13 1pj3 h GLY 2318CO 0.03 0.30 0.07 -2.22 0.00 0.00 0.00 176.54 174.73 1pj3 h ILE 2319N 0.20 1.18 -0.44 2.60 2.04 -0.83 -2.26 117.51 119.99 1pj3 h ILE 2319Ca 0.07 -0.56 0.02 0.00 1.00 0.00 0.00 64.86 65.39 1pj3 h ILE 2319Cb 0.40 1.17 -0.03 0.00 -0.74 0.00 0.00 36.82 37.61 1pj3 h ILE 2319CO 0.01 0.18 0.25 0.00 0.00 0.00 0.00 178.15 178.59 1pj3 h ALA 2320N 0.90 0.56 -0.56 1.87 0.00 -0.57 0.06 119.26 121.52 1pj3 h ALA 2320Ca 0.07 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1pj3 h ALA 2320Cb 0.21 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1pj3 h ALA 2320CO -0.00 -0.07 0.29 -0.91 0.00 0.00 0.00 179.25 178.56 1pj3 h ASN 2321N 0.51 0.69 0.52 0.00 2.35 -1.00 -0.77 115.58 117.88 1pj3 h ASN 2321Ca 0.18 -0.05 -0.22 0.00 -0.55 0.00 0.00 56.30 55.66 1pj3 h ASN 2321Cb 0.03 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.22 1pj3 h ASN 2321CO -0.09 0.57 -0.96 0.25 -1.65 0.00 0.00 177.43 175.55 1pj3 h LEU 2322N 0.78 0.37 -0.44 1.61 5.85 -0.91 -3.13 115.31 119.44 1pj3 h LEU 2322Ca 0.20 -0.31 -0.02 0.00 0.84 0.00 0.00 57.88 58.58 1pj3 h LEU 2322Cb 0.04 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 1pj3 h LEU 2322CO -0.03 1.14 0.19 0.40 -0.34 0.00 0.00 178.44 179.79 1pj3 h ILE 2323N 0.14 1.20 0.00 4.05 2.04 -0.52 -1.49 117.51 122.93 1pj3 h ILE 2323Ca -0.07 -0.60 0.00 0.00 1.00 0.00 0.00 64.86 65.19 1pj3 h ILE 2323Cb 1.61 0.77 0.00 0.00 -0.74 0.00 0.00 36.82 38.46 1pj3 h ILE 2323CO 0.15 0.22 0.00 0.52 0.00 0.00 0.00 178.15 179.05 1pj3 n VAL 2324N -4.62 0.00 -0.53 1.67 0.31 -0.34 -4.61 118.33 110.21 1pj3 n VAL 2324Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 1pj3 n VAL 2324Cb 0.14 -0.28 0.00 0.00 -0.91 0.00 0.00 33.84 32.79 1pj3 n VAL 2324CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1pj3 n SER 2326N 0.75 -0.08 0.00 4.52 2.88 -0.56 -4.53 113.62 116.61 1pj3 n SER 2326Ca 0.00 0.04 0.00 0.00 -1.33 0.00 0.00 58.87 57.58 1pj3 n SER 2326Cb 0.00 -0.21 0.00 0.00 -0.75 0.00 0.00 64.21 63.25 1pj3 n SER 2326CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1pj3 n VAL 2328N -0.45 0.00 0.25 2.46 0.31 -1.25 -1.71 118.33 117.93 1pj3 n VAL 2328Ca 0.00 0.00 0.13 0.00 -0.01 0.00 0.00 64.34 64.46 1pj3 n VAL 2328Cb 0.04 0.00 0.54 0.00 -0.91 0.00 0.00 33.84 33.51 1pj3 n VAL 2328CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 1pj3 h GLU 2329N 0.00 0.00 -0.70 5.55 4.81 -1.83 -2.92 114.58 119.50 1pj3 h GLU 2329Ca 0.00 0.00 -0.37 0.00 -0.13 0.00 0.00 59.36 58.86 1pj3 h GLU 2329Cb 0.00 0.00 -0.22 0.00 0.63 0.00 0.00 28.75 29.16 1pj3 h GLU 2329CO 0.00 0.12 0.29 0.09 -0.73 0.00 0.00 179.01 178.78 1pj3 n ASN 2330N -3.25 3.37 0.00 1.04 3.02 -0.69 -5.00 115.26 113.75 1pj3 n ASN 2330Ca 0.01 -3.71 0.00 0.00 -0.03 0.00 0.00 54.58 50.84 1pj3 n ASN 2330Cb 0.38 -0.74 0.00 0.00 -0.61 0.00 0.00 39.78 38.81 1pj3 n ASN 2330CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1pj3 n GLY 2331N -1.12 2.45 3.07 7.41 0.00 -1.10 -5.09 105.19 110.82 1pj3 n GLY 2331Ca 0.48 -0.71 -0.37 0.00 0.00 0.00 0.00 46.02 45.41 1pj3 n GLY 2331CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pj3 n LEU 2332N 0.00 -3.62 -4.91 0.99 4.32 -1.26 -4.82 117.00 107.70 1pj3 n LEU 2332Ca 0.00 0.60 -0.28 0.00 -0.02 0.00 0.00 56.01 56.31 1pj3 n LEU 2332Cb 0.00 -0.80 0.07 0.00 -1.62 0.00 0.00 43.42 41.07 1pj3 n LEU 2332CO 0.00 -4.62 0.70 -0.94 -1.22 0.00 0.00 177.39 171.31 1pj3 s SER 2333N -0.95 4.85 0.16 -1.43 1.04 -1.26 -3.83 113.70 112.28 1pj3 s SER 2333Ca 0.53 0.71 -0.15 0.00 0.48 0.00 0.00 55.95 57.52 1pj3 s SER 2333Cb -0.46 -1.35 0.06 0.00 0.10 0.00 0.00 66.02 64.38 1pj3 s SER 2333CO 0.64 -1.64 1.79 -0.08 0.98 0.00 0.00 173.24 174.93 1pj3 h GLU 2334N -0.76 0.46 -0.63 4.02 4.81 -1.93 -2.05 114.58 118.50 1pj3 h GLU 2334Ca -0.45 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 58.71 1pj3 h GLU 2334Cb 1.31 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 30.56 1pj3 h GLU 2334CO 0.63 0.30 0.21 0.37 -0.73 0.00 0.00 179.01 179.80 1pj3 h GLN 2335N 0.47 0.96 -0.50 1.92 4.15 -1.99 -1.63 115.11 118.49 1pj3 h GLN 2335Ca 0.17 -0.20 0.02 0.00 0.77 0.00 0.00 58.65 59.42 1pj3 h GLN 2335Cb 0.04 -0.14 -0.03 0.00 0.21 0.00 0.00 27.48 27.56 1pj3 h GLN 2335CO -0.10 0.84 0.31 0.93 -1.93 0.00 0.00 178.83 178.88 1pj3 h GLU 2336N 0.89 0.61 -0.09 1.69 5.08 -1.86 -2.10 114.58 118.79 1pj3 h GLU 2336Ca 0.20 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1pj3 h GLU 2336Cb 0.26 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 1pj3 h GLU 2336CO -0.01 0.40 0.04 0.00 -1.00 0.00 0.00 179.01 178.44 1pj3 h ALA 2337N 1.21 0.12 -0.44 3.43 0.00 -1.19 -2.81 119.26 119.59 1pj3 h ALA 2337Ca 0.20 -0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.09 1pj3 h ALA 2337Cb -0.01 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1pj3 h ALA 2337CO -0.08 -0.30 0.30 1.96 0.00 0.00 0.00 179.25 181.13 1pj3 h GLN 2338N 0.01 0.28 0.00 0.00 4.20 -1.11 -0.16 115.11 118.33 1pj3 h GLN 2338Ca 0.03 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.72 1pj3 h GLN 2338Cb 0.15 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.87 1pj3 h GLN 2338CO -0.00 0.19 0.00 0.87 -0.67 0.00 0.00 178.83 179.21 1pj3 h LYS 2339N 0.29 0.00 -0.11 1.46 6.56 -1.11 -2.19 116.57 121.47 1pj3 h LYS 2339Ca 0.20 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.79 1pj3 h LYS 2339Cb 0.40 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.06 1pj3 h LYS 2339CO -0.04 0.00 0.00 1.63 -2.06 0.00 0.00 179.45 178.98 1pj3 n LYS 2340N -2.61 1.79 -4.76 3.15 5.02 -0.07 -4.84 118.16 115.84 1pj3 n LYS 2340Ca 0.01 -1.18 -0.33 0.00 -2.02 0.00 0.00 58.31 54.79 1pj3 n LYS 2340Cb 0.22 -1.44 -0.15 0.00 -0.02 0.00 0.00 35.03 33.63 1pj3 n LYS 2340CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1pj3 s ILE 2341N -1.87 2.61 0.00 -0.18 1.09 -0.82 -0.86 121.20 121.17 1pj3 s ILE 2341Ca 0.35 -0.81 0.00 0.00 -1.10 0.00 0.00 60.65 59.09 1pj3 s ILE 2341Cb 0.19 -2.08 0.00 0.00 -1.06 0.00 0.00 42.46 39.52 1pj3 s ILE 2341CO 0.30 0.53 0.00 0.79 -0.10 0.00 0.00 174.94 176.46 1pj3 n TRP 2342N 3.79 0.00 -3.15 3.97 7.02 0.20 -4.84 117.44 124.42 1pj3 n TRP 2342Ca -0.19 0.00 0.06 0.00 -1.02 0.00 0.00 57.50 56.35 1pj3 n TRP 2342Cb 0.52 0.00 -0.01 0.00 -2.42 0.00 0.00 31.31 29.40 1pj3 n TRP 2342CO 0.00 0.00 0.00 0.12 -2.02 0.00 0.00 177.69 175.79 1pj3 s PHE 2344N -0.87 -0.24 0.00 -5.99 5.36 -0.21 -0.60 117.98 115.43 1pj3 s PHE 2344Ca 0.00 0.21 0.00 0.00 -0.96 0.00 0.00 56.93 56.18 1pj3 s PHE 2344Cb 0.00 0.07 0.00 0.00 -0.34 0.00 0.00 43.02 42.75 1pj3 s PHE 2344CO 0.00 -0.14 0.00 -0.40 -1.46 0.00 0.00 175.22 173.22 1pj3 n ASP 2345N 5.33 0.00 0.13 6.13 5.68 -0.18 -0.03 116.55 133.61 1pj3 n ASP 2345Ca -0.02 -0.99 0.19 0.00 -0.50 0.00 0.00 54.79 53.48 1pj3 n ASP 2345Cb 0.56 0.00 0.75 0.00 -1.14 0.00 0.00 41.12 41.29 1pj3 n ASP 2345CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 1pj3 h LYS 2346N 0.00 0.00 -0.02 0.11 2.10 -1.99 0.47 116.57 117.23 1pj3 h LYS 2346Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1pj3 h LYS 2346Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1pj3 h LYS 2346CO 0.00 0.00 -0.27 0.66 -2.00 0.00 0.00 179.45 177.84 1pj3 n TYR 2347N -3.56 0.00 0.00 0.07 4.02 -1.26 -5.08 117.16 111.35 1pj3 n TYR 2347Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.95 1pj3 n TYR 2347Cb 0.59 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.91 1pj3 n TYR 2347CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1pj3 n GLY 2348N 1.38 0.39 3.76 2.72 0.00 0.15 -5.01 105.19 108.59 1pj3 n GLY 2348Ca 0.11 -2.26 -0.41 0.00 0.00 0.00 0.00 46.02 43.46 1pj3 n GLY 2348CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1pj3 s LEU 2349N 0.00 4.40 -0.59 0.99 2.96 -1.26 -1.01 118.68 124.17 1pj3 s LEU 2349Ca 0.00 2.71 -0.27 0.00 -0.22 0.00 0.00 54.13 56.35 1pj3 s LEU 2349Cb 0.00 -3.64 0.03 0.00 0.50 0.00 0.00 46.19 43.08 1pj3 s LEU 2349CO 0.00 -0.64 1.14 -0.76 -1.32 0.00 0.00 176.35 174.77 1pj3 s LEU 2350N -1.18 3.59 0.08 -0.68 1.43 -1.26 -4.92 118.68 115.73 1pj3 s LEU 2350Ca 0.54 -0.06 0.06 0.00 -1.03 0.00 0.00 54.13 53.64 1pj3 s LEU 2350Cb -0.41 -3.03 -0.03 0.00 0.03 0.00 0.00 46.19 42.75 1pj3 s LEU 2350CO 0.50 -1.45 -0.16 0.68 0.23 0.00 0.00 176.35 176.14 1pj3 s VAL 2351N 4.78 1.27 0.25 -1.59 -7.23 -1.26 -3.54 120.40 113.08 1pj3 s VAL 2351Ca 0.39 -1.35 -0.31 0.00 -1.81 0.00 0.00 61.98 58.90 1pj3 s VAL 2351Cb -0.09 -1.19 -0.12 0.00 0.56 0.00 0.00 36.38 35.54 1pj3 s VAL 2351CO 0.23 -0.17 1.65 0.29 -0.31 0.00 0.00 175.10 176.79 1pj3 n LYS 2352N 1.26 2.71 -0.58 4.82 5.02 0.55 -2.24 118.16 129.70 1pj3 n LYS 2352Ca -0.21 0.97 0.00 0.00 -2.02 0.00 0.00 58.31 57.05 1pj3 n LYS 2352Cb 0.54 -2.78 0.00 0.00 -0.02 0.00 0.00 35.03 32.77 1pj3 n LYS 2352CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pj3 n GLY 2353N 2.97 0.78 3.79 0.72 0.00 -1.26 -4.61 105.19 107.58 1pj3 n GLY 2353Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 1pj3 n GLY 2353CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1pj3 s ARG 2354N -0.42 3.41 0.07 1.61 1.70 -0.95 -4.97 118.95 119.39 1pj3 s ARG 2354Ca 0.00 1.33 -0.25 0.00 -0.47 0.00 0.00 55.73 56.34 1pj3 s ARG 2354Cb 0.00 -2.04 -0.16 0.00 -0.57 0.00 0.00 34.95 32.18 1pj3 s ARG 2354CO 0.00 -0.75 1.64 -0.22 -1.08 0.00 0.00 175.30 174.88 1pj3 h LYS 2355N 0.82 -0.16 -6.78 3.89 3.64 -1.97 -3.44 116.57 112.58 1pj3 h LYS 2355Ca -0.48 0.01 -0.57 0.00 -1.27 0.00 0.00 60.65 58.34 1pj3 h LYS 2355Cb 1.23 0.04 0.13 0.00 -0.41 0.00 0.00 32.23 33.22 1pj3 h LYS 2355CO 0.57 -0.04 0.34 0.00 -2.27 0.00 0.00 179.45 178.06 1pj3 n ALA 2356N -2.20 0.79 -0.74 5.00 0.00 -1.26 -4.94 120.51 117.17 1pj3 n ALA 2356Ca -0.08 0.21 -0.32 0.00 0.00 0.00 0.00 53.44 53.25 1pj3 n ALA 2356Cb 0.12 -2.19 0.14 0.00 0.00 0.00 0.00 19.45 17.52 1pj3 n ALA 2356CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1pj3 n LYS 2357N -0.11 -0.51 -3.52 0.00 4.76 -1.26 -5.04 118.16 112.48 1pj3 n LYS 2357Ca 0.09 -0.10 -0.15 0.00 -2.87 0.00 0.00 58.31 55.28 1pj3 n LYS 2357Cb 0.41 -2.01 -0.12 0.00 -1.84 0.00 0.00 35.03 31.46 1pj3 n LYS 2357CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1pj3 s ILE 2358N -2.46 -0.42 0.76 -0.18 1.01 -1.26 -5.12 121.20 113.53 1pj3 s ILE 2358Ca 0.60 0.03 -0.11 0.00 0.00 0.00 0.00 60.65 61.16 1pj3 s ILE 2358Cb -0.21 -0.63 0.05 0.00 0.01 0.00 0.00 42.46 41.67 1pj3 s ILE 2358CO 0.64 -0.08 1.09 1.51 0.00 0.00 0.00 174.94 178.10 1pj3 s ASP 2359N 2.41 4.86 0.64 3.58 3.84 -1.26 -4.80 116.67 125.94 1pj3 s ASP 2359Ca 0.06 1.34 0.36 0.00 -0.00 0.00 0.00 52.55 54.32 1pj3 s ASP 2359Cb -0.14 -2.12 2.03 0.00 -1.38 0.00 0.00 42.92 41.30 1pj3 s ASP 2359CO -0.12 -1.74 2.21 0.77 -0.00 0.00 0.00 175.17 176.29 1pj3 h SER 2360N -0.93 0.00 0.74 2.11 4.64 -2.01 -0.62 113.55 117.47 1pj3 h SER 2360Ca -0.46 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 60.61 1pj3 h SER 2360Cb 1.25 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.32 1pj3 h SER 2360CO 0.60 0.00 -1.28 1.88 -0.87 0.00 0.00 176.83 177.15 1pj3 h TYR 2361N 0.00 0.16 0.00 4.77 -1.99 -2.01 -3.34 116.97 114.55 1pj3 h TYR 2361Ca 0.02 -0.11 -0.19 0.00 2.00 0.00 0.00 58.73 60.44 1pj3 h TYR 2361Cb 0.24 -0.01 -0.03 0.00 2.00 0.00 0.00 36.73 38.94 1pj3 h TYR 2361CO 0.00 1.12 -0.95 1.96 -0.00 0.00 0.00 178.16 180.29 1pj3 h GLN 2362N 0.02 0.00 -0.77 4.88 4.20 -1.51 -3.37 115.11 118.55 1pj3 h GLN 2362Ca -0.13 0.00 0.15 0.00 0.06 0.00 0.00 58.65 58.73 1pj3 h GLN 2362Cb 1.90 0.00 -0.14 0.00 0.30 0.00 0.00 27.48 29.53 1pj3 h GLN 2362CO 0.14 0.88 -0.25 1.49 -0.67 0.00 0.00 178.83 180.41 1pj3 h GLU 2363N 0.00 -0.04 -0.22 1.46 4.22 -1.40 0.58 114.58 119.18 1pj3 h GLU 2363Ca -0.02 0.00 0.06 0.00 0.08 0.00 0.00 59.36 59.48 1pj3 h GLU 2363Cb 1.71 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.96 1pj3 h GLU 2363CO 0.11 -0.03 0.38 -1.35 -2.18 0.00 0.00 179.01 175.95 1pj3 h PRO 2364N -0.04 0.00 -0.33 0.92 0.11 -1.79 0.17 132.00 131.05 1pj3 h PRO 2364Ca 0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.45 1pj3 h PRO 2364Cb 0.58 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.69 1pj3 h PRO 2364CO -0.81 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 178.17 1pj3 n PHE 2365N -3.37 0.43 -3.29 0.65 3.01 0.14 -4.72 117.46 110.31 1pj3 n PHE 2365Ca 0.03 -0.47 -0.44 0.00 1.01 0.00 0.00 57.45 57.58 1pj3 n PHE 2365Cb 0.50 -0.03 -0.08 0.00 -0.01 0.00 0.00 39.48 39.87 1pj3 n PHE 2365CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 1pj3 s THR 2366N -1.00 5.06 0.50 4.37 2.01 0.60 -4.72 115.64 122.47 1pj3 s THR 2366Ca 0.22 -0.57 0.07 0.00 0.31 0.00 0.00 61.69 61.73 1pj3 s THR 2366Cb 0.12 -4.14 0.02 0.00 0.01 0.00 0.00 72.50 68.51 1pj3 s THR 2366CO 0.16 -0.58 0.47 -1.00 -0.69 0.00 0.00 174.62 172.97 1pj3 s HIS 2367N 2.17 2.00 0.41 4.92 3.76 -1.23 -4.52 115.29 122.79 1pj3 s HIS 2367Ca 0.11 -0.69 -0.26 0.00 -0.15 0.00 0.00 55.06 54.08 1pj3 s HIS 2367Cb -0.19 -2.07 -0.09 0.00 1.11 0.00 0.00 32.58 31.34 1pj3 s HIS 2367CO 0.11 -0.47 1.29 -1.12 -0.85 0.00 0.00 174.74 173.71 1pj3 s SER 2368N -4.30 6.31 0.32 1.40 0.01 -1.26 -0.33 113.70 115.85 1pj3 s SER 2368Ca 0.45 2.64 -0.28 0.00 1.31 0.00 0.00 55.95 60.06 1pj3 s SER 2368Cb -0.03 -2.64 -0.13 0.00 0.21 0.00 0.00 66.02 63.43 1pj3 s SER 2368CO 0.27 -0.85 1.14 0.00 0.41 0.00 0.00 173.24 174.21 1pj3 n ALA 2369N 0.11 0.48 -1.41 1.44 0.00 -1.26 -4.83 120.51 115.05 1pj3 n ALA 2369Ca 0.04 0.37 -0.13 0.00 0.00 0.00 0.00 53.44 53.72 1pj3 n ALA 2369Cb 0.44 -2.13 0.14 0.00 0.00 0.00 0.00 19.45 17.90 1pj3 n ALA 2369CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1pj3 n PRO 2370N 0.63 -1.34 -0.27 0.00 -0.04 -1.26 -4.87 135.00 127.85 1pj3 n PRO 2370Ca 0.07 -1.24 0.12 0.00 -0.04 0.00 0.00 63.50 62.40 1pj3 n PRO 2370Cb 0.34 -0.93 0.23 0.00 -0.04 0.00 0.00 33.50 33.10 1pj3 n PRO 2370CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1pj3 n GLU 2371N -3.07 -0.06 -4.16 0.54 2.13 -1.26 -4.49 120.64 110.27 1pj3 n GLU 2371Ca 0.10 1.18 -0.10 0.00 0.66 0.00 0.00 57.16 59.00 1pj3 n GLU 2371Cb 0.37 -1.88 -0.10 0.00 0.27 0.00 0.00 31.44 30.10 1pj3 n GLU 2371CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 1pj3 s SER 2372N -5.01 0.78 -0.39 4.31 1.04 -1.26 -5.13 113.70 108.06 1pj3 s SER 2372Ca -0.10 -1.09 -0.15 0.00 0.48 0.00 0.00 55.95 55.08 1pj3 s SER 2372Cb 0.23 0.18 0.01 0.00 0.10 0.00 0.00 66.02 66.54 1pj3 s SER 2372CO 0.62 -0.59 0.35 -0.63 0.98 0.00 0.00 173.24 173.96 1pj3 s ILE 2373N -3.81 5.19 0.32 -1.02 1.01 -1.26 -5.06 121.20 116.57 1pj3 s ILE 2373Ca 0.16 -0.33 -0.29 0.00 0.00 0.00 0.00 60.65 60.19 1pj3 s ILE 2373Cb 0.07 -3.90 -0.11 0.00 0.01 0.00 0.00 42.46 38.53 1pj3 s ILE 2373CO -0.02 -0.24 1.44 -2.16 0.00 0.00 0.00 174.94 173.95 1pj3 s PRO 2374N 1.90 4.22 -0.06 2.79 0.04 -1.26 -4.96 135.00 137.67 1pj3 s PRO 2374Ca 0.09 2.40 -0.14 0.00 0.04 0.00 0.00 61.00 63.40 1pj3 s PRO 2374Cb -0.18 -3.04 -0.30 0.00 0.04 0.00 0.00 34.50 31.02 1pj3 s PRO 2374CO 0.12 -0.42 0.67 -0.44 0.04 0.00 0.00 177.00 176.96 1pj3 h ASP 2375N 3.87 0.55 -1.30 6.66 3.45 -1.97 -3.42 116.42 124.26 1pj3 h ASP 2375Ca -0.49 -0.91 -0.64 0.00 0.43 0.00 0.00 57.03 55.42 1pj3 h ASP 2375Cb 1.23 -0.18 -0.13 0.00 -0.56 0.00 0.00 39.33 39.69 1pj3 h ASP 2375CO 0.70 1.71 -0.57 0.42 -1.57 0.00 0.00 179.24 179.93 1pj3 s THR 2376N -2.54 1.67 0.30 0.35 -4.23 -1.26 -4.95 115.64 104.98 1pj3 s THR 2376Ca -0.17 -2.00 0.17 0.00 -1.18 0.00 0.00 61.69 58.51 1pj3 s THR 2376Cb 0.05 -2.70 0.13 0.00 1.34 0.00 0.00 72.50 71.31 1pj3 s THR 2376CO 0.83 0.00 1.82 0.15 -0.54 0.00 0.00 174.62 176.88 1pj3 h PHE 2377N 1.64 0.00 -0.37 3.99 3.57 -1.93 -2.39 116.94 121.46 1pj3 h PHE 2377Ca -0.44 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.03 1pj3 h PHE 2377Cb 1.27 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.99 1pj3 h PHE 2377CO 1.00 0.35 0.11 1.49 -2.23 0.00 0.00 178.31 179.04 1pj3 h GLU 2378N 0.00 0.58 -0.75 1.11 4.81 -1.95 -1.57 114.58 116.80 1pj3 h GLU 2378Ca -0.00 -0.13 -0.02 0.00 -0.13 0.00 0.00 59.36 59.08 1pj3 h GLU 2378Cb 0.72 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.98 1pj3 h GLU 2378CO 0.05 0.59 0.38 -0.44 -0.73 0.00 0.00 179.01 178.86 1pj3 h ASP 2379N 0.45 0.96 -0.69 1.04 3.32 -1.88 -2.26 116.42 117.36 1pj3 h ASP 2379Ca 0.12 -0.12 0.06 0.00 0.02 0.00 0.00 57.03 57.11 1pj3 h ASP 2379Cb 0.26 -0.25 -0.05 0.00 0.22 0.00 0.00 39.33 39.51 1pj3 h ASP 2379CO -0.00 0.81 0.39 0.00 -1.72 0.00 0.00 179.24 178.72 1pj3 h ALA 2380N 1.19 0.92 -0.70 3.45 0.00 -1.09 0.58 119.26 123.62 1pj3 h ALA 2380Ca 0.26 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.14 1pj3 h ALA 2380Cb 0.08 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1pj3 h ALA 2380CO -0.04 0.08 0.26 0.28 0.00 0.00 0.00 179.25 179.83 1pj3 h VAL 2381N 0.73 1.25 -0.21 0.00 2.07 -0.83 0.61 116.25 119.86 1pj3 h VAL 2381Ca 0.30 -0.80 -0.21 0.00 0.82 0.00 0.00 66.70 66.81 1pj3 h VAL 2381Cb 0.17 0.43 0.01 0.00 -1.52 0.00 0.00 31.29 30.38 1pj3 h VAL 2381CO -0.17 0.32 -0.69 0.78 0.02 0.00 0.00 177.57 177.83 1pj3 h ASN 2382N 1.02 0.97 0.09 0.57 2.35 -0.78 0.23 115.58 120.03 1pj3 h ASN 2382Ca 0.23 -0.59 -0.00 0.00 -0.55 0.00 0.00 56.30 55.39 1pj3 h ASN 2382Cb 0.23 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.32 1pj3 h ASN 2382CO -0.02 1.39 -0.04 0.40 -1.65 0.00 0.00 177.43 177.51 1pj3 h ILE 2383N 0.60 1.16 -0.00 2.81 5.03 -0.80 -3.34 117.51 122.97 1pj3 h ILE 2383Ca -0.03 -1.24 -0.17 0.00 -0.12 0.00 0.00 64.86 63.30 1pj3 h ILE 2383Cb 1.31 1.91 -0.02 0.00 -3.03 0.00 0.00 36.82 36.99 1pj3 h ILE 2383CO 0.15 0.29 -0.81 -0.07 -0.68 0.00 0.00 178.15 177.02 1pj3 h LEU 2384N -0.72 0.08 -1.81 1.44 4.07 -0.99 -3.49 115.31 113.89 1pj3 h LEU 2384Ca -0.01 -0.06 -0.42 0.00 0.08 0.00 0.00 57.88 57.46 1pj3 h LEU 2384Cb 0.56 -0.02 0.05 0.00 1.08 0.00 0.00 40.66 42.33 1pj3 h LEU 2384CO 0.02 0.85 -0.84 0.29 -1.08 0.00 0.00 178.44 177.69 1pj3 n LYS 2385N -3.62 -4.76 -1.24 1.13 5.02 0.80 -4.96 118.16 110.53 1pj3 n LYS 2385Ca -0.01 0.61 -0.31 0.00 -2.02 0.00 0.00 58.31 56.57 1pj3 n LYS 2385Cb 0.77 -5.13 0.10 0.00 -0.02 0.00 0.00 35.03 30.75 1pj3 n LYS 2385CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1pj3 s PRO 2386N -6.00 2.12 -0.00 1.97 0.04 -1.26 -4.95 135.00 126.91 1pj3 s PRO 2386Ca 0.01 1.29 0.22 0.00 0.04 0.00 0.00 61.00 62.55 1pj3 s PRO 2386Cb -0.00 -1.87 -0.23 0.00 0.04 0.00 0.00 34.50 32.44 1pj3 s PRO 2386CO 0.82 -1.76 0.78 -1.13 0.04 0.00 0.00 177.00 175.74 1pj3 n SER 2387N -3.45 0.62 -3.80 6.66 3.41 -0.44 -4.86 113.62 111.77 1pj3 n SER 2387Ca 0.10 -0.57 -0.14 0.00 -0.26 0.00 0.00 58.87 58.00 1pj3 n SER 2387Cb 0.53 1.30 -0.15 0.00 -0.26 0.00 0.00 64.21 65.63 1pj3 n SER 2387CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1pj3 s THR 2388N -3.20 -0.04 -0.05 6.66 2.01 -1.15 -1.89 115.64 117.99 1pj3 s THR 2388Ca 0.02 0.15 0.05 0.00 0.31 0.00 0.00 61.69 62.22 1pj3 s THR 2388Cb 0.15 -0.08 -0.01 0.00 0.01 0.00 0.00 72.50 72.58 1pj3 s THR 2388CO 0.87 0.06 -0.20 0.27 -0.69 0.00 0.00 174.62 174.94 1pj3 s ILE 2389N 0.77 1.62 -0.16 1.82 -4.36 -0.64 -0.93 121.20 119.33 1pj3 s ILE 2389Ca -0.06 -0.83 0.00 0.00 -0.26 0.00 0.00 60.65 59.50 1pj3 s ILE 2389Cb -0.09 -1.39 0.03 0.00 1.25 0.00 0.00 42.46 42.26 1pj3 s ILE 2389CO -0.02 0.46 -0.11 -0.63 0.24 0.00 0.00 174.94 174.88 1pj3 s ILE 2390N -0.05 1.45 -0.32 8.37 1.01 -0.62 -1.41 121.20 129.63 1pj3 s ILE 2390Ca -0.03 -0.69 -0.16 0.00 0.00 0.00 0.00 60.65 59.77 1pj3 s ILE 2390Cb -0.12 -1.46 -0.02 0.00 0.01 0.00 0.00 42.46 40.87 1pj3 s ILE 2390CO 0.02 0.32 0.41 -0.83 0.00 0.00 0.00 174.94 174.87 1pj3 s GLY 2391N 1.51 1.87 -0.36 6.18 0.00 0.21 -0.75 107.32 115.98 1pj3 s GLY 2391Ca 0.03 -1.00 0.14 0.00 0.00 0.00 0.00 44.72 43.88 1pj3 s GLY 2391CO -0.09 1.08 0.93 3.33 0.00 0.00 0.00 173.10 178.35 1pj3 n VAL 2392N 5.25 0.36 0.05 1.40 0.24 -0.28 -1.32 118.33 124.02 1pj3 n VAL 2392Ca -0.07 -3.29 0.07 0.00 -2.04 0.00 0.00 64.34 59.01 1pj3 n VAL 2392Cb 0.50 0.45 -0.11 0.00 -1.47 0.00 0.00 33.84 33.20 1pj3 n VAL 2392CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1pj3 n ALA 2393N 0.04 2.65 -2.36 2.33 0.00 -1.17 -4.58 120.51 117.42 1pj3 n ALA 2393Ca 0.13 -0.36 -0.18 0.00 0.00 0.00 0.00 53.44 53.04 1pj3 n ALA 2393Cb 0.75 -0.51 -0.01 0.00 0.00 0.00 0.00 19.45 19.68 1pj3 n ALA 2393CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pj3 n GLY 2394N 1.64 -0.38 0.25 0.00 0.00 -1.26 -4.87 105.19 100.57 1pj3 n GLY 2394Ca -0.02 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.05 1pj3 n GLY 2394CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pj3 n ALA 2395N -1.91 2.26 0.00 4.61 0.00 -1.25 -4.81 120.51 119.41 1pj3 n ALA 2395Ca -0.21 -1.77 0.00 0.00 0.00 0.00 0.00 53.44 51.46 1pj3 n ALA 2395Cb 0.66 -0.30 0.00 0.00 0.00 0.00 0.00 19.45 19.81 1pj3 n ALA 2395CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pj3 n GLY 2396N -0.67 -1.39 2.85 0.00 0.00 -0.70 -4.78 105.19 100.50 1pj3 n GLY 2396Ca 0.10 -2.09 -0.36 0.00 0.00 0.00 0.00 46.02 43.68 1pj3 n GLY 2396CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pj3 n ARG 2397N 0.00 1.97 0.07 1.61 5.12 -1.08 -3.42 116.66 120.91 1pj3 n ARG 2397Ca 0.00 -1.83 0.13 0.00 -1.93 0.00 0.00 57.85 54.23 1pj3 n ARG 2397Cb 0.00 -2.80 0.43 0.00 -1.16 0.00 0.00 32.46 28.92 1pj3 n ARG 2397CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1pj3 n LEU 2398N 6.04 0.57 -4.01 0.55 7.99 -1.13 -4.06 117.00 122.96 1pj3 n LEU 2398Ca 0.50 0.49 -0.43 0.00 -0.01 0.00 0.00 56.01 56.55 1pj3 n LEU 2398Cb 0.30 -0.35 0.00 0.00 -0.11 0.00 0.00 43.42 43.27 1pj3 n LEU 2398CO 0.90 -0.10 1.72 0.49 -1.51 0.00 0.00 177.39 178.89 1pj3 n PHE 2399N -2.01 3.32 -0.53 -1.77 0.99 -0.46 -4.92 117.46 112.09 1pj3 n PHE 2399Ca 0.06 -2.91 -0.29 0.00 -0.00 0.00 0.00 57.45 54.31 1pj3 n PHE 2399Cb 0.40 -1.91 0.24 0.00 -1.00 0.00 0.00 39.48 37.21 1pj3 n PHE 2399CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 1pj3 n THR 2400N 3.33 0.00 -0.10 4.37 -2.24 -1.26 -4.63 114.28 113.75 1pj3 n THR 2400Ca 0.37 -0.38 0.04 0.00 -2.27 0.00 0.00 64.05 61.81 1pj3 n THR 2400Cb 0.37 -0.94 0.36 0.00 -2.10 0.00 0.00 70.33 68.02 1pj3 n THR 2400CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1pj3 h PRO 2401N -2.52 0.70 -0.06 -0.78 0.11 -1.94 -1.50 132.00 126.01 1pj3 h PRO 2401Ca -0.58 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 65.36 1pj3 h PRO 2401Cb 1.33 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 1pj3 h PRO 2401CO 0.47 0.46 -0.51 -0.44 -0.21 0.00 0.00 178.00 177.76 1pj3 h ASP 2402N 0.72 0.19 -0.39 -2.05 3.32 -1.99 0.40 116.42 116.62 1pj3 h ASP 2402Ca 0.22 -0.09 -0.05 0.00 0.02 0.00 0.00 57.03 57.13 1pj3 h ASP 2402Cb -0.00 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 1pj3 h ASP 2402CO -0.05 0.67 0.07 0.58 -1.72 0.00 0.00 179.24 178.78 1pj3 h VAL 2403N 0.14 1.24 -0.49 -1.35 2.07 -1.62 -1.16 116.25 115.07 1pj3 h VAL 2403Ca 0.00 -0.85 -0.09 0.00 0.82 0.00 0.00 66.70 66.58 1pj3 h VAL 2403Cb 0.96 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.75 1pj3 h VAL 2403CO 0.08 0.29 -0.06 0.40 0.02 0.00 0.00 177.57 178.30 1pj3 h ILE 2404N 0.50 1.27 -0.58 4.57 2.04 -1.13 -2.93 117.51 121.23 1pj3 h ILE 2404Ca 0.12 -1.17 -0.01 0.00 1.00 0.00 0.00 64.86 64.80 1pj3 h ILE 2404Cb 0.36 1.03 -0.03 0.00 -0.74 0.00 0.00 36.82 37.44 1pj3 h ILE 2404CO 0.01 0.41 0.34 0.03 0.00 0.00 0.00 178.15 178.94 1pj3 h ARG 2405N 0.76 0.80 -1.11 2.37 3.08 -0.81 -1.71 114.38 117.77 1pj3 h ARG 2405Ca 0.13 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1pj3 h ARG 2405Cb 0.60 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.48 1pj3 h ARG 2405CO 0.04 0.58 0.00 0.00 -1.07 0.00 0.00 179.97 179.52 1pj3 n ALA 2406N -2.29 1.19 0.00 0.04 0.00 -0.45 -0.95 120.51 118.04 1pj3 n ALA 2406Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1pj3 n ALA 2406Cb 0.06 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 18.59 1pj3 n ALA 2406CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pj3 n ALA 2408N 0.75 0.00 0.07 0.00 0.00 -0.64 -0.78 120.51 119.91 1pj3 n ALA 2408Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 1pj3 n ALA 2408Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 1pj3 n ALA 2408CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1pj3 h SER 2409N 0.00 0.53 0.46 0.00 0.87 -1.31 -3.33 113.55 110.78 1pj3 h SER 2409Ca 0.00 -0.44 -0.30 0.00 -1.23 0.00 0.00 61.79 59.81 1pj3 h SER 2409Cb 0.00 -0.16 0.02 0.00 -0.44 0.00 0.00 62.40 61.81 1pj3 h SER 2409CO 0.00 1.26 -1.39 0.40 -0.53 0.00 0.00 176.83 176.57 1pj3 h ILE 2410N 0.21 1.36 -4.18 2.23 2.04 -1.21 -3.46 117.51 114.49 1pj3 h ILE 2410Ca -0.09 -2.88 -0.68 0.00 1.00 0.00 0.00 64.86 62.21 1pj3 h ILE 2410Cb 1.64 2.95 -0.25 0.00 -0.74 0.00 0.00 36.82 40.42 1pj3 h ILE 2410CO 0.17 0.85 -0.87 0.20 0.00 0.00 0.00 178.15 178.50 1pj3 s ASN 2411N -7.29 3.13 0.05 1.72 0.01 -1.25 -5.03 114.94 106.27 1pj3 s ASN 2411Ca -0.07 -0.63 -0.20 0.00 -0.71 0.00 0.00 52.86 51.25 1pj3 s ASN 2411Cb 0.06 -0.26 -0.13 0.00 0.41 0.00 0.00 41.25 41.33 1pj3 s ASN 2411CO 0.90 0.22 1.40 -0.08 -1.51 0.00 0.00 177.10 178.04 1pj3 h GLU 2412N 4.54 0.37 -2.72 -0.60 4.81 -1.91 -3.37 114.58 115.70 1pj3 h GLU 2412Ca -0.47 -0.17 -0.61 0.00 -0.13 0.00 0.00 59.36 57.99 1pj3 h GLU 2412Cb 1.15 -0.01 -0.40 0.00 0.63 0.00 0.00 28.75 30.12 1pj3 h GLU 2412CO 0.42 0.69 -0.76 0.54 -0.73 0.00 0.00 179.01 179.17 1pj3 n ARG 2413N -4.59 1.12 -2.20 1.92 5.12 -1.26 -4.78 116.66 111.99 1pj3 n ARG 2413Ca -0.05 -3.90 -0.40 0.00 -1.93 0.00 0.00 57.85 51.56 1pj3 n ARG 2413Cb 0.32 -2.00 -0.02 0.00 -1.16 0.00 0.00 32.46 29.60 1pj3 n ARG 2413CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 1pj3 s PRO 2414N -0.84 4.30 -0.28 5.56 0.04 -1.26 -4.74 135.00 137.78 1pj3 s PRO 2414Ca 0.29 2.07 -0.13 0.00 0.04 0.00 0.00 61.00 63.27 1pj3 s PRO 2414Cb 0.00 -2.98 -0.04 0.00 0.04 0.00 0.00 34.50 31.52 1pj3 s PRO 2414CO -0.18 -0.18 0.27 0.08 0.04 0.00 0.00 177.00 177.03 1pj3 s VAL 2415N -1.21 5.25 -0.21 -0.36 1.01 -0.79 -0.87 120.40 123.23 1pj3 s VAL 2415Ca 0.51 0.29 0.01 0.00 0.00 0.00 0.00 61.98 62.78 1pj3 s VAL 2415Cb -0.36 -3.61 0.05 0.00 0.00 0.00 0.00 36.38 32.45 1pj3 s VAL 2415CO 0.48 0.19 -0.09 -0.63 0.00 0.00 0.00 175.10 175.05 1pj3 s ILE 2416N 1.88 1.61 -0.26 2.22 1.01 -0.30 -1.61 121.20 125.75 1pj3 s ILE 2416Ca 0.10 -1.07 -0.02 0.00 0.00 0.00 0.00 60.65 59.66 1pj3 s ILE 2416Cb -0.16 -1.74 0.03 0.00 0.01 0.00 0.00 42.46 40.60 1pj3 s ILE 2416CO 0.11 0.09 -0.04 -0.36 0.00 0.00 0.00 174.94 174.74 1pj3 s PHE 2417N 1.39 3.10 -0.85 3.97 0.40 -0.50 -2.69 117.98 122.81 1pj3 s PHE 2417Ca -0.03 -1.54 -0.06 0.00 -0.60 0.00 0.00 56.93 54.70 1pj3 s PHE 2417Cb -0.17 -2.09 0.22 0.00 0.51 0.00 0.00 43.02 41.49 1pj3 s PHE 2417CO -0.07 -0.72 0.75 0.00 0.70 0.00 0.00 175.22 175.87 1pj3 s ALA 2418N 1.33 4.13 -1.45 5.36 0.00 -0.57 0.67 121.76 131.24 1pj3 s ALA 2418Ca -0.00 -3.57 0.26 0.00 0.00 0.00 0.00 51.96 48.65 1pj3 s ALA 2418Cb -0.17 -3.09 0.75 0.00 0.00 0.00 0.00 23.12 20.60 1pj3 s ALA 2418CO -0.03 -2.18 1.56 1.28 0.00 0.00 0.00 175.76 176.39 1pj3 n LEU 2419N 3.09 0.73 -4.76 0.00 4.77 -0.44 -1.43 117.00 118.96 1pj3 n LEU 2419Ca 0.16 -0.11 -0.38 0.00 -0.03 0.00 0.00 56.01 55.66 1pj3 n LEU 2419Cb 0.40 -0.19 0.01 0.00 -2.33 0.00 0.00 43.42 41.31 1pj3 n LEU 2419CO 0.37 0.15 0.91 -0.44 -1.33 0.00 0.00 177.39 177.05 1pj3 s SER 2420N -2.69 5.89 0.12 -1.43 0.01 -1.14 -3.83 113.70 110.63 1pj3 s SER 2420Ca 0.20 2.55 0.07 0.00 1.31 0.00 0.00 55.95 60.07 1pj3 s SER 2420Cb 0.19 -2.62 -0.04 0.00 0.21 0.00 0.00 66.02 63.76 1pj3 s SER 2420CO 0.58 -1.13 -0.17 0.20 0.41 0.00 0.00 173.24 173.13 1pj3 s ASN 2421N -1.08 2.23 0.90 2.44 0.01 -1.26 -3.90 114.94 114.28 1pj3 s ASN 2421Ca 0.65 -0.77 0.00 0.00 -0.71 0.00 0.00 52.86 52.03 1pj3 s ASN 2421Cb -0.35 -0.10 0.00 0.00 0.41 0.00 0.00 41.25 41.21 1pj3 s ASN 2421CO 0.42 -0.07 0.00 -0.81 -1.51 0.00 0.00 177.10 175.14 1pj3 n PRO 2422N 0.70 0.10 -0.29 -0.60 -0.04 -1.26 0.25 135.00 133.86 1pj3 n PRO 2422Ca -0.17 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.42 1pj3 n PRO 2422Cb 0.56 0.00 0.28 0.00 -0.04 0.00 0.00 33.50 34.30 1pj3 n PRO 2422CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1pj3 h THR 2423N -0.90 0.33 -0.06 0.52 2.02 -1.91 -0.02 112.91 112.88 1pj3 h THR 2423Ca 0.00 -0.07 0.02 0.00 0.77 0.00 0.00 66.41 67.12 1pj3 h THR 2423Cb 0.00 0.10 -0.00 0.00 -1.74 0.00 0.00 68.15 66.50 1pj3 h THR 2423CO 0.00 0.04 0.04 0.00 0.37 0.00 0.00 175.52 175.97 1pj3 h ALA 2424N 1.77 2.04 -0.01 6.16 0.00 -1.94 -1.55 119.26 125.73 1pj3 h ALA 2424Ca 0.54 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.45 1pj3 h ALA 2424Cb 1.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1pj3 h ALA 2424CO -0.64 -0.06 -0.16 1.04 0.00 0.00 0.00 179.25 179.43 1pj3 n GLN 2425N -4.52 1.27 -1.73 0.00 3.00 -0.04 -4.48 117.38 110.87 1pj3 n GLN 2425Ca -0.02 -0.80 -0.38 0.00 -0.01 0.00 0.00 57.00 55.80 1pj3 n GLN 2425Cb 0.14 -1.48 0.06 0.00 0.00 0.00 0.00 30.24 28.96 1pj3 n GLN 2425CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1pj3 n ALA 2426N -0.17 1.30 0.18 -1.58 0.00 -0.59 -1.72 120.51 117.94 1pj3 n ALA 2426Ca 0.15 0.04 0.02 0.00 0.00 0.00 0.00 53.44 53.65 1pj3 n ALA 2426Cb 0.38 -2.34 0.37 0.00 0.00 0.00 0.00 19.45 17.86 1pj3 n ALA 2426CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1pj3 h GLU 2427N 0.84 0.05 -1.76 0.00 3.07 -1.83 -2.87 114.58 112.07 1pj3 h GLU 2427Ca -0.51 -0.02 0.26 0.00 -0.50 0.00 0.00 59.36 58.60 1pj3 h GLU 2427Cb 1.33 -0.00 -0.12 0.00 -0.84 0.00 0.00 28.75 29.12 1pj3 h GLU 2427CO 0.54 0.36 0.71 0.00 -1.40 0.00 0.00 179.01 179.22 1pj3 s THR 2429N -2.72 4.22 0.15 0.00 -4.23 -1.26 -4.89 115.64 106.91 1pj3 s THR 2429Ca 0.13 -0.65 -0.12 0.00 -1.18 0.00 0.00 61.69 59.87 1pj3 s THR 2429Cb 0.02 -3.53 0.02 0.00 1.34 0.00 0.00 72.50 70.35 1pj3 s THR 2429CO -0.02 -0.32 1.61 0.00 -0.54 0.00 0.00 174.62 175.35 1pj3 h ALA 2430N 0.61 0.67 -0.56 3.99 0.00 -1.98 -1.70 119.26 120.30 1pj3 h ALA 2430Ca -0.47 -0.28 0.09 0.00 0.00 0.00 0.00 54.91 54.25 1pj3 h ALA 2430Cb 1.25 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 18.78 1pj3 h ALA 2430CO 0.57 0.47 0.18 1.49 0.00 0.00 0.00 179.25 181.96 1pj3 h GLU 2431N 0.74 0.33 -0.23 0.00 4.81 -1.95 -1.01 114.58 117.28 1pj3 h GLU 2431Ca 0.14 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.33 1pj3 h GLU 2431Cb 0.50 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 1pj3 h GLU 2431CO 0.02 0.22 0.06 0.93 -0.73 0.00 0.00 179.01 179.51 1pj3 h GLU 2432N 0.34 0.36 0.26 1.92 5.08 -1.90 -2.06 114.58 118.59 1pj3 h GLU 2432Ca 0.28 -0.09 -0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1pj3 h GLU 2432Cb 0.36 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1pj3 h GLU 2432CO -0.31 0.47 -0.19 0.00 -1.00 0.00 0.00 179.01 177.98 1pj3 h ALA 2433N 0.87 -0.44 -0.47 3.43 0.00 -0.63 0.08 119.26 122.11 1pj3 h ALA 2433Ca 0.07 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1pj3 h ALA 2433Cb 0.27 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1pj3 h ALA 2433CO 0.00 -0.76 -0.03 1.88 0.00 0.00 0.00 179.25 180.34 1pj3 h TYR 2434N -0.46 0.93 0.46 0.00 -1.99 -1.28 -2.69 116.97 111.94 1pj3 h TYR 2434Ca -0.02 -0.17 -0.02 0.00 2.00 0.00 0.00 58.73 60.52 1pj3 h TYR 2434Cb 0.40 -0.24 0.00 0.00 2.00 0.00 0.00 36.73 38.89 1pj3 h TYR 2434CO -0.11 0.90 -0.22 1.15 -0.00 0.00 0.00 178.16 179.87 1pj3 h THR 2435N 0.70 0.53 0.00 -2.88 2.02 -1.29 0.12 112.91 112.11 1pj3 h THR 2435Ca 0.13 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 67.13 1pj3 h THR 2435Cb 0.55 0.62 0.00 0.00 -1.74 0.00 0.00 68.15 67.58 1pj3 h THR 2435CO 0.03 0.03 0.00 0.18 0.37 0.00 0.00 175.52 176.13 1pj3 n LEU 2436N -5.32 0.00 -0.11 2.58 7.99 0.01 -1.87 117.00 120.28 1pj3 n LEU 2436Ca -0.11 0.34 0.01 0.00 -0.01 0.00 0.00 56.01 56.24 1pj3 n LEU 2436Cb 0.28 -0.34 0.03 0.00 -0.11 0.00 0.00 43.42 43.28 1pj3 n LEU 2436CO 0.35 -0.22 0.52 0.35 -1.51 0.00 0.00 177.39 176.88 1pj3 n THR 2437N -1.34 0.97 -3.80 -5.08 -2.24 -1.02 -4.50 114.28 97.28 1pj3 n THR 2437Ca 0.04 -0.98 -0.29 0.00 -2.27 0.00 0.00 64.05 60.55 1pj3 n THR 2437Cb 0.10 0.52 0.02 0.00 -2.10 0.00 0.00 70.33 68.86 1pj3 n THR 2437CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1pj3 n GLU 2438N -0.31 -5.04 -1.02 -0.78 1.02 -0.66 -1.35 120.64 112.51 1pj3 n GLU 2438Ca 0.02 0.59 -0.01 0.00 -0.02 0.00 0.00 57.16 57.74 1pj3 n GLU 2438Cb 0.27 -5.44 -0.00 0.00 -0.02 0.00 0.00 31.44 26.25 1pj3 n GLU 2438CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1pj3 n GLY 2439N -1.59 0.47 0.08 0.62 0.00 0.35 -4.92 105.19 100.20 1pj3 n GLY 2439Ca 0.03 -0.20 0.09 0.00 0.00 0.00 0.00 46.02 45.93 1pj3 n GLY 2439CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pj3 n ARG 2440N -2.43 0.62 -1.75 1.61 1.74 -0.46 -4.97 116.66 111.03 1pj3 n ARG 2440Ca -0.01 0.05 -0.33 0.00 -0.77 0.00 0.00 57.85 56.80 1pj3 n ARG 2440Cb 0.09 -1.74 0.05 0.00 -1.02 0.00 0.00 32.46 29.85 1pj3 n ARG 2440CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1pj3 s LEU 2442N -4.89 5.18 0.10 0.00 1.43 -0.05 -4.95 118.68 115.51 1pj3 s LEU 2442Ca 0.67 -1.88 0.04 0.00 -1.03 0.00 0.00 54.13 51.93 1pj3 s LEU 2442Cb -0.20 -1.86 -0.04 0.00 0.03 0.00 0.00 46.19 44.12 1pj3 s LEU 2442CO 0.42 -0.54 0.04 0.12 0.23 0.00 0.00 176.35 176.62 1pj3 s PHE 2443N 1.22 3.06 -0.06 0.29 5.36 -1.26 -1.15 117.98 125.44 1pj3 s PHE 2443Ca 0.06 -0.00 -0.22 0.00 -0.96 0.00 0.00 56.93 55.81 1pj3 s PHE 2443Cb -0.23 -1.55 0.05 0.00 -0.34 0.00 0.00 43.02 40.95 1pj3 s PHE 2443CO -0.03 0.50 0.50 0.00 -1.46 0.00 0.00 175.22 174.73 1pj3 s ALA 2444N -1.43 -1.27 0.10 11.12 0.00 -1.10 -4.18 121.76 125.01 1pj3 s ALA 2444Ca 0.28 0.91 0.01 0.00 0.00 0.00 0.00 51.96 53.16 1pj3 s ALA 2444Cb -0.11 -0.09 -0.04 0.00 0.00 0.00 0.00 23.12 22.87 1pj3 s ALA 2444CO 0.20 -0.30 -0.04 -1.54 0.00 0.00 0.00 175.76 174.07 1pj3 s SER 2445N -1.04 1.00 0.11 0.00 1.04 -1.10 -1.51 113.70 112.21 1pj3 s SER 2445Ca -0.11 -1.04 -0.05 0.00 0.48 0.00 0.00 55.95 55.24 1pj3 s SER 2445Cb -0.03 0.13 -0.15 0.00 0.10 0.00 0.00 66.02 66.07 1pj3 s SER 2445CO 0.06 -0.52 1.26 1.23 0.98 0.00 0.00 173.24 176.25 1pj3 h GLY 2446N 2.95 0.42 -4.28 7.32 0.00 -1.35 0.42 103.07 108.56 1pj3 h GLY 2446Ca -0.35 -0.82 -0.61 0.00 0.00 0.00 0.00 47.33 45.54 1pj3 h GLY 2446CO 0.64 0.73 -0.59 -0.56 0.00 0.00 0.00 176.54 176.76 1pj3 s SER 2447N -7.11 5.48 0.38 0.19 0.01 -1.26 -4.58 113.70 106.81 1pj3 s SER 2447Ca -0.05 -0.07 -0.27 0.00 1.31 0.00 0.00 55.95 56.86 1pj3 s SER 2447Cb 0.08 -1.44 -0.10 0.00 0.21 0.00 0.00 66.02 64.77 1pj3 s SER 2447CO 0.87 0.13 1.42 -2.16 0.41 0.00 0.00 173.24 173.91 1pj3 s PRO 2448N -2.67 4.08 -0.01 12.44 0.04 -1.26 -4.96 135.00 142.65 1pj3 s PRO 2448Ca 0.30 2.42 -0.01 0.00 0.04 0.00 0.00 61.00 63.75 1pj3 s PRO 2448Cb -0.11 -2.91 0.01 0.00 0.04 0.00 0.00 34.50 31.52 1pj3 s PRO 2448CO 0.22 -0.50 0.04 -0.06 0.04 0.00 0.00 177.00 176.74 1pj3 s PHE 2449N -1.15 -0.03 1.01 0.56 0.40 -1.26 -5.04 117.98 112.46 1pj3 s PHE 2449Ca 0.54 0.10 -0.17 0.00 -0.60 0.00 0.00 56.93 56.80 1pj3 s PHE 2449Cb -0.44 -0.01 0.23 0.00 0.51 0.00 0.00 43.02 43.31 1pj3 s PHE 2449CO 0.58 -0.03 1.33 0.20 0.70 0.00 0.00 175.22 178.00 1pj3 s GLY 2450N 0.16 1.79 0.62 4.36 0.00 -1.26 -4.74 107.32 108.25 1pj3 s GLY 2450Ca -0.01 -1.27 -0.19 0.00 0.00 0.00 0.00 44.72 43.25 1pj3 s GLY 2450CO -0.00 -0.45 1.20 -1.05 0.00 0.00 0.00 173.10 172.80 1pj3 n PRO 2451N -3.92 1.11 -4.95 2.90 -0.02 -1.26 -4.69 135.00 124.17 1pj3 n PRO 2451Ca 0.16 0.43 -0.33 0.00 -2.02 0.00 0.00 63.50 61.75 1pj3 n PRO 2451Cb 0.59 -2.43 -0.15 0.00 -0.02 0.00 0.00 33.50 31.50 1pj3 n PRO 2451CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1pj3 s VAL 2452N -1.41 2.75 -0.18 -1.45 1.01 0.40 -4.95 120.40 116.56 1pj3 s VAL 2452Ca 0.79 -0.79 -0.00 0.00 0.00 0.00 0.00 61.98 61.98 1pj3 s VAL 2452Cb -0.40 -2.10 0.01 0.00 0.00 0.00 0.00 36.38 33.89 1pj3 s VAL 2452CO 0.43 0.55 -0.16 -0.75 0.00 0.00 0.00 175.10 175.18 1pj3 s LYS 2453N 0.05 3.11 0.43 2.72 2.20 -1.26 0.35 119.74 127.34 1pj3 s LYS 2453Ca -0.07 -0.77 -0.20 0.00 -0.36 0.00 0.00 55.97 54.57 1pj3 s LYS 2453Cb -0.15 -2.67 -0.11 0.00 -1.51 0.00 0.00 37.83 33.39 1pj3 s LYS 2453CO 0.05 -0.17 0.94 -0.51 -0.36 0.00 0.00 175.35 175.31 1pj3 s LEU 2454N 1.25 3.91 0.00 5.43 1.43 0.23 -4.89 118.68 126.04 1pj3 s LEU 2454Ca 0.03 1.66 0.00 0.00 -1.03 0.00 0.00 54.13 54.79 1pj3 s LEU 2454Cb -0.14 -4.51 0.00 0.00 0.03 0.00 0.00 46.19 41.57 1pj3 s LEU 2454CO -0.08 -0.38 0.64 0.35 0.23 0.00 0.00 176.35 177.11 1pj3 n THR 2455N -0.74 0.77 -0.31 5.49 -2.24 -1.26 0.84 114.28 116.83 1pj3 n THR 2455Ca 0.07 0.39 0.10 0.00 -2.27 0.00 0.00 64.05 62.34 1pj3 n THR 2455Cb 0.54 -1.39 0.27 0.00 -2.10 0.00 0.00 70.33 67.65 1pj3 n THR 2455CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1pj3 n ASP 2456N -1.14 3.65 0.00 3.42 5.68 -1.26 -4.96 116.55 121.93 1pj3 n ASP 2456Ca 0.00 -2.00 0.00 0.00 -0.50 0.00 0.00 54.79 52.29 1pj3 n ASP 2456Cb 0.20 -0.41 0.00 0.00 -1.14 0.00 0.00 41.12 39.77 1pj3 n ASP 2456CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1pj3 n GLY 2457N 1.30 1.60 3.71 6.12 0.00 0.25 -5.03 105.19 113.13 1pj3 n GLY 2457Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 1pj3 n GLY 2457CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pj3 s ARG 2458N -0.45 4.45 -0.18 1.61 0.52 -1.25 -4.79 118.95 118.87 1pj3 s ARG 2458Ca 0.00 1.64 -0.07 0.00 -0.52 0.00 0.00 55.73 56.78 1pj3 s ARG 2458Cb 0.00 -3.43 -0.04 0.00 0.52 0.00 0.00 34.95 32.00 1pj3 s ARG 2458CO 0.00 -0.24 0.06 0.08 0.02 0.00 0.00 175.30 175.22 1pj3 s VAL 2459N 1.31 4.79 -0.13 3.52 1.01 -1.26 -0.60 120.40 129.03 1pj3 s VAL 2459Ca 0.56 -0.03 0.02 0.00 0.00 0.00 0.00 61.98 62.52 1pj3 s VAL 2459Cb -0.26 -3.16 0.01 0.00 0.00 0.00 0.00 36.38 32.98 1pj3 s VAL 2459CO 0.27 0.46 -0.18 -0.36 0.00 0.00 0.00 175.10 175.29 1pj3 s PHE 2460N 0.39 2.32 -0.41 5.22 0.08 0.16 -4.93 117.98 120.81 1pj3 s PHE 2460Ca 0.03 -1.19 -0.09 0.00 0.12 0.00 0.00 56.93 55.80 1pj3 s PHE 2460Cb -0.12 -1.63 0.07 0.00 -0.57 0.00 0.00 43.02 40.76 1pj3 s PHE 2460CO 0.00 -0.59 0.25 0.99 -0.10 0.00 0.00 175.22 175.77 1pj3 s THR 2461N 1.04 4.25 0.29 0.64 2.01 -0.70 -0.45 115.64 122.72 1pj3 s THR 2461Ca -0.04 -1.34 -0.29 0.00 0.31 0.00 0.00 61.69 60.33 1pj3 s THR 2461Cb -0.15 -3.57 -0.10 0.00 0.01 0.00 0.00 72.50 68.70 1pj3 s THR 2461CO -0.04 -0.47 1.14 -2.16 -0.69 0.00 0.00 174.62 172.40 1pj3 s PRO 2462N 1.44 4.59 0.38 4.92 0.04 -1.26 -2.84 135.00 142.27 1pj3 s PRO 2462Ca 0.03 1.88 -0.02 0.00 0.04 0.00 0.00 61.00 62.92 1pj3 s PRO 2462Cb -0.22 -3.17 -0.04 0.00 0.04 0.00 0.00 34.50 31.11 1pj3 s PRO 2462CO 0.03 0.14 0.63 0.20 0.04 0.00 0.00 177.00 178.04 1pj3 s GLY 2463N -0.80 1.48 -0.40 0.56 0.00 -1.26 -4.90 107.32 102.01 1pj3 s GLY 2463Ca 0.45 -0.71 -0.11 0.00 0.00 0.00 0.00 44.72 44.35 1pj3 s GLY 2463CO 0.43 -0.60 0.24 1.62 0.00 0.00 0.00 173.10 174.79 1pj3 s GLN 2464N -4.34 2.79 -1.30 2.90 0.74 -1.26 -2.70 119.66 116.50 1pj3 s GLN 2464Ca 0.43 -1.19 -0.16 0.00 0.05 0.00 0.00 55.36 54.49 1pj3 s GLN 2464Cb -0.10 -3.80 0.09 0.00 1.10 0.00 0.00 33.01 30.30 1pj3 s GLN 2464CO 0.38 -0.80 1.75 0.41 -0.55 0.00 0.00 175.29 176.48 1pj3 n GLY 2465N 5.01 3.07 3.14 2.59 0.00 0.15 -4.89 105.19 114.26 1pj3 n GLY 2465Ca -0.11 -1.62 -0.25 0.00 0.00 0.00 0.00 46.02 44.04 1pj3 n GLY 2465CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1pj3 s ASN 2466N 3.68 2.03 0.00 1.61 3.84 -1.26 -4.22 114.94 120.62 1pj3 s ASN 2466Ca 0.50 -0.32 0.00 0.00 0.21 0.00 0.00 52.86 53.25 1pj3 s ASN 2466Cb 0.04 -0.36 0.00 0.00 -0.55 0.00 0.00 41.25 40.38 1pj3 s ASN 2466CO 0.04 0.18 0.72 -0.46 -2.79 0.00 0.00 177.10 174.80 1pj3 n ASN 2467N 2.85 0.00 0.29 -4.21 0.23 -1.26 -1.49 115.26 111.67 1pj3 n ASN 2467Ca -0.16 0.24 0.15 0.00 -0.53 0.00 0.00 54.58 54.29 1pj3 n ASN 2467Cb 0.54 -0.24 0.88 0.00 -2.08 0.00 0.00 39.78 38.87 1pj3 n ASN 2467CO 0.00 0.00 0.00 1.62 -0.93 0.00 0.00 177.26 177.95 1pj3 h VAL 2468N 0.00 0.45 0.00 3.53 3.04 -1.95 0.14 116.25 121.46 1pj3 h VAL 2468Ca 0.00 -0.23 0.00 0.00 -1.01 0.00 0.00 66.70 65.46 1pj3 h VAL 2468Cb 0.04 1.16 0.00 0.00 -2.01 0.00 0.00 31.29 30.48 1pj3 h VAL 2468CO 0.00 0.05 0.00 1.88 -1.01 0.00 0.00 177.57 178.49 1pj3 h TYR 2469N 0.00 0.00 0.00 3.17 -1.99 -1.63 -3.39 116.97 113.13 1pj3 h TYR 2469Ca -0.00 0.00 -0.14 0.00 2.00 0.00 0.00 58.73 60.59 1pj3 h TYR 2469Cb 0.15 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.86 1pj3 h TYR 2469CO 0.00 0.00 -1.25 -0.89 -0.00 0.00 0.00 178.16 176.02 1pj3 n ILE 2470N -2.67 1.16 -0.10 -2.88 2.08 0.41 -4.74 119.36 112.63 1pj3 n ILE 2470Ca 0.02 0.01 0.13 0.00 0.56 0.00 0.00 62.75 63.48 1pj3 n ILE 2470Cb 0.34 -1.89 0.50 0.00 -0.75 0.00 0.00 39.64 37.84 1pj3 n ILE 2470CO 0.00 0.00 0.00 2.19 0.56 0.00 0.00 176.55 179.30 1pj3 h PHE 2471N -0.60 0.44 -0.04 1.39 -5.15 -1.51 -2.11 116.94 109.36 1pj3 h PHE 2471Ca -0.21 0.01 -0.00 0.00 -0.20 0.00 0.00 57.97 57.57 1pj3 h PHE 2471Cb 0.97 -0.14 -0.00 0.00 0.22 0.00 0.00 35.95 37.00 1pj3 h PHE 2471CO -0.16 0.20 0.01 -1.35 -2.00 0.00 0.00 178.31 175.02 1pj3 h PRO 2472N 0.41 0.07 -0.45 6.09 0.11 -1.83 0.22 132.00 136.62 1pj3 h PRO 2472Ca 0.30 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 66.32 1pj3 h PRO 2472Cb 0.61 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.69 1pj3 h PRO 2472CO -0.08 0.24 -0.02 0.78 -0.21 0.00 0.00 178.00 178.71 1pj3 h GLY 2473N -0.12 0.87 1.06 -0.55 0.00 -1.70 -1.35 103.07 101.28 1pj3 h GLY 2473Ca 0.01 -0.66 -0.09 0.00 0.00 0.00 0.00 47.33 46.60 1pj3 h GLY 2473CO -0.00 0.60 0.04 -2.08 0.00 0.00 0.00 176.54 175.10 1pj3 h VAL 2474N 0.65 1.26 -0.53 4.60 2.07 -1.35 -1.47 116.25 121.47 1pj3 h VAL 2474Ca 0.12 -1.10 -0.02 0.00 0.82 0.00 0.00 66.70 66.53 1pj3 h VAL 2474Cb 0.53 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 1pj3 h VAL 2474CO 0.03 0.40 0.26 0.00 0.02 0.00 0.00 177.57 178.28 1pj3 h ALA 2475N 1.00 0.69 -0.22 1.67 0.00 -0.40 -1.56 119.26 120.43 1pj3 h ALA 2475Ca 0.18 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1pj3 h ALA 2475Cb 0.51 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1pj3 h ALA 2475CO 0.02 0.24 0.12 1.25 0.00 0.00 0.00 179.25 180.89 1pj3 h LEU 2476N 0.71 0.28 0.21 0.00 5.85 -1.03 -1.72 115.31 119.61 1pj3 h LEU 2476Ca 0.18 -0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.83 1pj3 h LEU 2476Cb 0.11 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 1pj3 h LEU 2476CO -0.02 0.28 -0.24 0.00 -0.34 0.00 0.00 178.44 178.12 1pj3 h ALA 2477N 1.01 -0.47 -0.91 1.25 0.00 -1.05 -0.94 119.26 118.14 1pj3 h ALA 2477Ca 0.08 -0.07 0.08 0.00 0.00 0.00 0.00 54.91 55.01 1pj3 h ALA 2477Cb 0.06 0.35 -0.07 0.00 0.00 0.00 0.00 17.79 18.14 1pj3 h ALA 2477CO -0.01 -0.80 0.56 0.28 0.00 0.00 0.00 179.25 179.28 1pj3 h VAL 2478N -0.50 0.99 0.03 0.00 2.07 -1.23 -1.14 116.25 116.46 1pj3 h VAL 2478Ca 0.00 -0.33 -0.00 0.00 0.82 0.00 0.00 66.70 67.19 1pj3 h VAL 2478Cb 0.47 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.18 1pj3 h VAL 2478CO -0.07 0.18 -0.01 0.40 0.02 0.00 0.00 177.57 178.08 1pj3 h ILE 2479N 0.97 1.24 -0.60 4.57 2.04 -1.07 -2.24 117.51 122.43 1pj3 h ILE 2479Ca 0.42 -0.85 0.01 0.00 1.00 0.00 0.00 64.86 65.44 1pj3 h ILE 2479Cb 0.29 1.81 -0.03 0.00 -0.74 0.00 0.00 36.82 38.15 1pj3 h ILE 2479CO -0.21 0.22 0.40 -0.07 0.00 0.00 0.00 178.15 178.48 1pj3 h LEU 2480N -0.40 0.66 -0.63 1.44 3.38 -0.90 -2.38 115.31 116.48 1pj3 h LEU 2480Ca -0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1pj3 h LEU 2480Cb 0.38 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1pj3 h LEU 2480CO 0.01 0.47 -0.01 0.00 0.09 0.00 0.00 178.44 179.00 1pj3 n ASN 2482N -0.24 -5.16 -4.77 0.00 5.03 -0.90 -0.15 115.26 109.08 1pj3 n ASN 2482Ca 0.20 -0.70 -0.39 0.00 0.87 0.00 0.00 54.58 54.57 1pj3 n ASN 2482Cb 0.27 -4.29 -0.01 0.00 -1.02 0.00 0.00 39.78 34.74 1pj3 n ASN 2482CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1pj3 s THR 2483N -3.32 2.83 -0.16 3.41 2.01 -0.87 -3.76 115.64 115.78 1pj3 s THR 2483Ca 0.61 0.69 0.11 0.00 0.31 0.00 0.00 61.69 63.41 1pj3 s THR 2483Cb -0.29 -3.39 -0.23 0.00 0.01 0.00 0.00 72.50 68.60 1pj3 s THR 2483CO 0.80 0.06 0.19 0.54 -0.69 0.00 0.00 174.62 175.52 1pj3 n ARG 2484N -0.08 0.68 -3.83 4.92 1.74 -1.26 -4.83 116.66 113.99 1pj3 n ARG 2484Ca 0.05 0.13 -0.12 0.00 -0.77 0.00 0.00 57.85 57.14 1pj3 n ARG 2484Cb 0.45 -1.61 -0.10 0.00 -1.02 0.00 0.00 32.46 30.18 1pj3 n ARG 2484CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1pj3 s HIS 2485N -2.53 -0.07 -0.25 -1.55 3.76 -1.26 -2.83 115.29 110.56 1pj3 s HIS 2485Ca -0.15 0.11 -0.07 0.00 -0.15 0.00 0.00 55.06 54.80 1pj3 s HIS 2485Cb 0.07 0.01 -0.03 0.00 1.11 0.00 0.00 32.58 33.74 1pj3 s HIS 2485CO 0.77 -0.26 0.06 0.42 -0.85 0.00 0.00 174.74 174.89 1pj3 s ILE 2486N -0.98 4.22 0.32 0.60 -1.09 -1.26 -5.03 121.20 117.97 1pj3 s ILE 2486Ca -0.11 -0.21 -0.01 0.00 -2.23 0.00 0.00 60.65 58.09 1pj3 s ILE 2486Cb -0.06 -2.98 -0.04 0.00 -1.58 0.00 0.00 42.46 37.81 1pj3 s ILE 2486CO 0.02 0.34 0.54 -0.94 -1.23 0.00 0.00 174.94 173.67 1pj3 s SER 2487N 1.60 6.34 0.54 3.58 1.04 -1.26 -4.98 113.70 120.57 1pj3 s SER 2487Ca 0.06 0.53 0.21 0.00 0.48 0.00 0.00 55.95 57.24 1pj3 s SER 2487Cb -0.15 -2.07 1.45 0.00 0.10 0.00 0.00 66.02 65.35 1pj3 s SER 2487CO 0.03 -0.25 2.16 0.44 0.98 0.00 0.00 173.24 176.60 1pj3 h ASP 2488N 1.12 0.00 0.18 7.02 3.32 -2.02 -1.07 116.42 124.97 1pj3 h ASP 2488Ca -0.49 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.56 1pj3 h ASP 2488Cb 1.21 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.76 1pj3 h ASP 2488CO 0.63 0.00 -0.00 0.77 -1.72 0.00 0.00 179.24 178.92 1pj3 h SER 2489N 0.00 0.00 -0.46 6.45 4.64 -2.00 -0.84 113.55 121.35 1pj3 h SER 2489Ca 0.03 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.23 1pj3 h SER 2489Cb 0.11 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.18 1pj3 h SER 2489CO -0.00 0.00 -0.16 0.58 -0.87 0.00 0.00 176.83 176.38 1pj3 h VAL 2490N 0.00 1.27 0.00 0.95 2.07 -1.58 -1.61 116.25 117.35 1pj3 h VAL 2490Ca -0.00 -1.31 -0.14 0.00 0.82 0.00 0.00 66.70 66.08 1pj3 h VAL 2490Cb 0.09 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 1pj3 h VAL 2490CO 0.00 0.45 -0.65 -0.26 0.02 0.00 0.00 177.57 177.13 1pj3 h PHE 2491N 0.84 0.00 -0.23 1.57 -1.00 -1.30 -0.21 116.94 116.60 1pj3 h PHE 2491Ca 0.12 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.89 1pj3 h PHE 2491Cb 0.71 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.26 1pj3 h PHE 2491CO 0.04 0.65 0.08 1.25 -1.61 0.00 0.00 178.31 178.73 1pj3 h LEU 2492N 0.00 0.32 -0.97 1.54 6.46 -1.25 0.49 115.31 121.91 1pj3 h LEU 2492Ca -0.01 -0.19 -0.03 0.00 -0.12 0.00 0.00 57.88 57.53 1pj3 h LEU 2492Cb 1.16 -0.08 -0.03 0.00 -0.73 0.00 0.00 40.66 40.97 1pj3 h LEU 2492CO 0.09 0.43 0.34 -0.08 -0.62 0.00 0.00 178.44 178.59 1pj3 h GLU 2493N 0.20 1.08 -0.66 1.25 4.57 -1.06 -2.04 114.58 117.91 1pj3 h GLU 2493Ca 0.07 -0.16 -0.05 0.00 -1.18 0.00 0.00 59.36 58.05 1pj3 h GLU 2493Cb 0.21 -0.19 -0.03 0.00 -0.16 0.00 0.00 28.75 28.58 1pj3 h GLU 2493CO -0.00 0.84 0.23 0.00 -1.18 0.00 0.00 179.01 178.90 1pj3 h ALA 2494N 1.31 0.87 -0.61 2.92 0.00 -0.52 -1.25 119.26 121.98 1pj3 h ALA 2494Ca 0.26 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 55.00 1pj3 h ALA 2494Cb 0.14 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 1pj3 h ALA 2494CO -0.03 0.52 0.37 0.00 0.00 0.00 0.00 179.25 180.10 1pj3 h ALA 2495N 1.10 0.79 -0.44 0.00 0.00 -0.25 -1.06 119.26 119.41 1pj3 h ALA 2495Ca 0.22 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.01 1pj3 h ALA 2495Cb 0.26 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1pj3 h ALA 2495CO -0.01 0.10 -0.17 0.87 0.00 0.00 0.00 179.25 180.03 1pj3 h LYS 2496N 0.72 0.85 -0.09 0.00 1.57 -1.08 -2.58 116.57 115.96 1pj3 h LYS 2496Ca 0.25 -0.32 -0.09 0.00 -1.87 0.00 0.00 60.65 58.62 1pj3 h LYS 2496Cb 0.05 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 1pj3 h LYS 2496CO -0.11 0.96 -0.34 0.00 -0.57 0.00 0.00 179.45 179.38 1pj3 h ALA 2497N 1.05 1.27 0.18 3.86 0.00 -0.73 -0.76 119.26 124.12 1pj3 h ALA 2497Ca 0.11 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1pj3 h ALA 2497Cb 0.69 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1pj3 h ALA 2497CO 0.05 0.51 -0.08 1.25 0.00 0.00 0.00 179.25 180.98 1pj3 h LEU 2498N 0.15 -0.20 -1.52 0.00 5.85 -1.01 -3.26 115.31 115.32 1pj3 h LEU 2498Ca 0.02 -0.33 -0.05 0.00 0.84 0.00 0.00 57.88 58.36 1pj3 h LEU 2498Cb 0.68 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.76 1pj3 h LEU 2498CO 0.05 0.30 -0.25 0.00 -0.34 0.00 0.00 178.44 178.20 1pj3 h THR 2499N -0.78 0.98 0.00 1.05 1.03 -1.44 -2.39 112.91 111.36 1pj3 h THR 2499Ca -0.02 -0.91 0.00 0.00 -0.01 0.00 0.00 66.41 65.47 1pj3 h THR 2499Cb 0.52 1.52 0.00 0.00 -1.07 0.00 0.00 68.15 69.12 1pj3 h THR 2499CO 0.04 0.24 0.00 0.77 -0.01 0.00 0.00 175.52 176.56 1pj3 h SER 2500N 0.00 0.00 0.46 0.00 4.64 -1.17 -1.71 113.55 115.77 1pj3 h SER 2500Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1pj3 h SER 2500Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 1pj3 h SER 2500CO 0.03 0.00 -0.50 0.00 -0.87 0.00 0.00 176.83 175.49 1pj3 n GLN 2501N -2.45 0.06 -2.21 4.77 6.02 -0.90 -4.89 117.38 117.78 1pj3 n GLN 2501Ca -0.00 -0.04 -0.42 0.00 -0.01 0.00 0.00 57.00 56.54 1pj3 n GLN 2501Cb 0.14 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 29.87 1pj3 n GLN 2501CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1pj3 s LEU 2502N -2.96 4.40 0.48 1.08 0.20 -0.64 -4.90 118.68 116.33 1pj3 s LEU 2502Ca 0.12 2.36 0.04 0.00 0.69 0.00 0.00 54.13 57.34 1pj3 s LEU 2502Cb 0.18 -3.60 0.02 0.00 -0.43 0.00 0.00 46.19 42.35 1pj3 s LEU 2502CO 0.69 -0.57 0.67 0.42 -0.29 0.00 0.00 176.35 177.27 1pj3 s THR 2503N 0.48 2.99 0.22 3.68 -4.23 -1.26 -5.00 115.64 112.52 1pj3 s THR 2503Ca 0.59 -0.80 0.01 0.00 -1.18 0.00 0.00 61.69 60.31 1pj3 s THR 2503Cb -0.36 -3.06 -0.04 0.00 1.34 0.00 0.00 72.50 70.38 1pj3 s THR 2503CO 0.35 -0.04 1.55 0.44 -0.54 0.00 0.00 174.62 176.39 1pj3 h ASP 2504N 0.37 0.43 -0.43 3.99 3.32 -1.99 -2.54 116.42 119.57 1pj3 h ASP 2504Ca -0.42 -0.23 -0.04 0.00 0.02 0.00 0.00 57.03 56.36 1pj3 h ASP 2504Cb 1.28 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.69 1pj3 h ASP 2504CO 0.50 0.90 0.11 -0.33 -1.72 0.00 0.00 179.24 178.69 1pj3 h GLU 2505N 0.30 0.68 -0.41 3.56 3.07 -1.99 -0.91 114.58 118.88 1pj3 h GLU 2505Ca 0.00 -0.16 -0.10 0.00 -0.50 0.00 0.00 59.36 58.61 1pj3 h GLU 2505Cb 1.06 -0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 28.86 1pj3 h GLU 2505CO 0.09 0.68 -0.13 0.93 -1.40 0.00 0.00 179.01 179.19 1pj3 h GLU 2506N 0.55 0.75 -0.43 2.33 5.08 -1.92 -2.40 114.58 118.55 1pj3 h GLU 2506Ca 0.14 -0.26 -0.05 0.00 -1.00 0.00 0.00 59.36 58.19 1pj3 h GLU 2506Cb 0.30 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 1pj3 h GLU 2506CO -0.00 0.85 0.08 1.25 -1.00 0.00 0.00 179.01 180.19 1pj3 h LEU 2507N 0.68 0.68 -1.78 1.33 7.12 -1.23 -1.94 115.31 120.17 1pj3 h LEU 2507Ca 0.11 -0.25 0.08 0.00 0.13 0.00 0.00 57.88 57.95 1pj3 h LEU 2507Cb 0.61 -0.18 -0.02 0.00 -0.53 0.00 0.00 40.66 40.53 1pj3 h LEU 2507CO 0.04 0.76 0.30 0.00 -0.13 0.00 0.00 178.44 179.41 1pj3 h ALA 2508N 0.95 2.07 0.00 1.25 0.00 -0.83 0.32 119.26 123.02 1pj3 h ALA 2508Ca 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1pj3 h ALA 2508Cb 0.36 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1pj3 h ALA 2508CO 0.01 -0.17 0.00 1.96 0.00 0.00 0.00 179.25 181.04 1pj3 h GLN 2509N 0.26 0.00 0.00 0.00 4.20 -0.91 -3.46 115.11 115.20 1pj3 h GLN 2509Ca 0.20 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.91 1pj3 h GLN 2509Cb 0.46 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.24 1pj3 h GLN 2509CO -0.04 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.53 1pj3 n GLY 2510N 0.11 0.85 3.68 3.46 0.00 0.11 -1.71 105.19 111.69 1pj3 n GLY 2510Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 1pj3 n GLY 2510CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pj3 s ARG 2511N -0.50 4.37 0.00 1.61 0.52 -0.79 -4.41 118.95 119.76 1pj3 s ARG 2511Ca 0.00 1.53 0.24 0.00 -0.52 0.00 0.00 55.73 56.98 1pj3 s ARG 2511Cb 0.00 -3.56 0.45 0.00 0.52 0.00 0.00 34.95 32.35 1pj3 s ARG 2511CO 0.00 -0.41 1.41 1.28 0.02 0.00 0.00 175.30 177.60 1pj3 n LEU 2512N 5.24 2.80 -4.00 2.53 4.77 -1.26 -3.98 117.00 123.09 1pj3 n LEU 2512Ca 0.10 -1.06 -0.08 0.00 -0.03 0.00 0.00 56.01 54.94 1pj3 n LEU 2512Cb 0.47 -0.09 -0.10 0.00 -2.33 0.00 0.00 43.42 41.37 1pj3 n LEU 2512CO 0.54 0.53 -0.29 -0.31 -1.33 0.00 0.00 177.39 176.52 1pj3 s TYR 2513N -1.81 0.34 0.76 -1.77 1.51 -1.26 -4.61 117.35 110.51 1pj3 s TYR 2513Ca 0.33 -0.76 -0.14 0.00 -1.01 0.00 0.00 57.07 55.49 1pj3 s TYR 2513Cb 0.21 -0.25 0.06 0.00 -0.11 0.00 0.00 41.96 41.86 1pj3 s TYR 2513CO 0.31 -0.36 1.21 -2.14 -1.11 0.00 0.00 175.55 173.46 1pj3 s PRO 2514N -3.11 1.93 0.25 -1.71 0.02 -1.26 -4.87 135.00 126.25 1pj3 s PRO 2514Ca -0.01 1.78 -0.31 0.00 0.02 0.00 0.00 61.00 62.48 1pj3 s PRO 2514Cb 0.02 -1.81 -0.13 0.00 0.02 0.00 0.00 34.50 32.60 1pj3 s PRO 2514CO -0.07 -2.00 1.42 -2.30 -0.33 0.00 0.00 177.00 173.72 1pj3 n PRO 2515N -2.93 2.10 0.27 5.54 -0.02 -1.26 -4.85 135.00 133.84 1pj3 n PRO 2515Ca 0.14 0.75 0.16 0.00 -2.02 0.00 0.00 63.50 62.53 1pj3 n PRO 2515Cb 0.50 -2.41 0.90 0.00 -0.02 0.00 0.00 33.50 32.47 1pj3 n PRO 2515CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1pj3 h LEU 2516N 4.18 0.00 -2.16 2.45 5.85 -1.99 -0.84 115.31 122.80 1pj3 h LEU 2516Ca -0.45 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.25 1pj3 h LEU 2516Cb 1.27 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.30 1pj3 h LEU 2516CO 0.75 0.00 -0.06 0.00 -0.34 0.00 0.00 178.44 178.79 1pj3 h ALA 2517N 1.89 1.23 -0.48 1.25 0.00 -1.96 -2.33 119.26 118.87 1pj3 h ALA 2517Ca 0.03 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1pj3 h ALA 2517Cb 0.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1pj3 h ALA 2517CO -0.00 0.08 0.00 0.09 0.00 0.00 0.00 179.25 179.42 1pj3 n ASN 2518N -3.50 4.68 -0.25 0.00 5.03 -0.32 -4.68 115.26 116.21 1pj3 n ASN 2518Ca -0.02 -2.76 0.23 0.00 0.87 0.00 0.00 54.58 52.90 1pj3 n ASN 2518Cb 0.19 -0.58 0.56 0.00 -1.02 0.00 0.00 39.78 38.94 1pj3 n ASN 2518CO 0.00 0.00 0.00 -0.29 -1.83 0.00 0.00 177.26 175.14 1pj3 h ILE 2519N 3.17 0.61 0.14 2.41 6.09 -1.49 0.24 117.51 128.67 1pj3 h ILE 2519Ca 0.00 -0.10 -0.01 0.00 -1.37 0.00 0.00 64.86 63.38 1pj3 h ILE 2519Cb 1.57 0.28 0.00 0.00 0.47 0.00 0.00 36.82 39.14 1pj3 h ILE 2519CO 0.30 0.06 -0.07 1.56 -3.07 0.00 0.00 178.15 176.93 1pj3 h GLN 2520N 0.30 -0.18 -0.52 2.19 7.50 -1.84 0.16 115.11 122.72 1pj3 h GLN 2520Ca 0.49 0.01 -0.03 0.00 0.50 0.00 0.00 58.65 59.62 1pj3 h GLN 2520Cb 1.40 0.04 -0.02 0.00 0.05 0.00 0.00 27.48 28.95 1pj3 h GLN 2520CO -0.16 0.07 0.21 1.49 -1.50 0.00 0.00 178.83 178.94 1pj3 h GLU 2521N -0.43 0.78 -0.85 1.46 4.81 -1.56 -2.02 114.58 116.77 1pj3 h GLU 2521Ca -0.02 -0.14 -0.02 0.00 -0.13 0.00 0.00 59.36 59.05 1pj3 h GLU 2521Cb 0.34 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.55 1pj3 h GLU 2521CO 0.03 0.69 0.44 0.28 -0.73 0.00 0.00 179.01 179.72 1pj3 h VAL 2522N 0.70 1.25 -0.34 0.32 2.07 -0.93 -1.75 116.25 117.57 1pj3 h VAL 2522Ca 0.17 -0.66 -0.06 0.00 0.82 0.00 0.00 66.70 66.98 1pj3 h VAL 2522Cb 0.20 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.08 1pj3 h VAL 2522CO -0.01 0.29 -0.02 0.28 0.02 0.00 0.00 177.57 178.13 1pj3 h SER 2523N 1.19 0.61 -0.60 0.57 0.02 -0.71 -1.93 113.55 112.70 1pj3 h SER 2523Ca 0.30 -0.32 0.01 0.00 -0.84 0.00 0.00 61.79 60.93 1pj3 h SER 2523Cb 0.06 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.40 1pj3 h SER 2523CO -0.04 0.78 0.40 0.40 -1.14 0.00 0.00 176.83 177.23 1pj3 h ILE 2524N 0.42 1.15 -0.38 3.27 1.08 -1.13 -0.24 117.51 121.69 1pj3 h ILE 2524Ca 0.10 -0.28 -0.04 0.00 -0.39 0.00 0.00 64.86 64.25 1pj3 h ILE 2524Cb 0.48 0.26 -0.02 0.00 -3.07 0.00 0.00 36.82 34.47 1pj3 h ILE 2524CO 0.02 0.15 0.07 0.78 -0.69 0.00 0.00 178.15 178.48 1pj3 h ASN 2525N 0.81 0.52 -0.44 1.72 2.35 -1.19 -0.16 115.58 119.19 1pj3 h ASN 2525Ca 0.22 -0.08 -0.13 0.00 -0.55 0.00 0.00 56.30 55.77 1pj3 h ASN 2525Cb -0.08 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.14 1pj3 h ASN 2525CO -0.05 0.54 -0.21 0.40 -1.65 0.00 0.00 177.43 176.46 1pj3 h ILE 2526N 0.55 1.27 -0.45 2.81 2.04 -0.58 -1.86 117.51 121.28 1pj3 h ILE 2526Ca 0.13 -1.37 0.01 0.00 1.00 0.00 0.00 64.86 64.62 1pj3 h ILE 2526Cb 0.25 1.21 -0.02 0.00 -0.74 0.00 0.00 36.82 37.51 1pj3 h ILE 2526CO 0.00 0.47 0.30 0.00 0.00 0.00 0.00 178.15 178.91 1pj3 h ALA 2527N 0.84 0.58 -0.12 1.87 0.00 -0.12 0.15 119.26 122.45 1pj3 h ALA 2527Ca 0.10 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.00 1pj3 h ALA 2527Cb 0.79 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1pj3 h ALA 2527CO 0.06 0.02 0.02 0.82 0.00 0.00 0.00 179.25 180.17 1pj3 h ILE 2528N 0.61 0.94 -0.62 0.00 2.04 -0.93 0.13 117.51 119.67 1pj3 h ILE 2528Ca 0.17 -0.02 -0.01 0.00 1.00 0.00 0.00 64.86 66.00 1pj3 h ILE 2528Cb -0.06 0.87 -0.03 0.00 -0.74 0.00 0.00 36.82 36.86 1pj3 h ILE 2528CO -0.04 0.01 0.36 0.11 0.00 0.00 0.00 178.15 178.59 1pj3 h LYS 2529N 0.07 0.85 -0.20 2.37 1.79 -1.01 -1.21 116.57 119.24 1pj3 h LYS 2529Ca 0.05 -0.09 -0.12 0.00 -2.18 0.00 0.00 60.65 58.32 1pj3 h LYS 2529Cb 0.05 -0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 30.52 1pj3 h LYS 2529CO -0.08 0.63 -0.38 0.28 -1.08 0.00 0.00 179.45 178.82 1pj3 h VAL 2530N 0.84 1.30 -0.41 0.50 2.07 -0.71 -1.55 116.25 118.30 1pj3 h VAL 2530Ca 0.22 -1.51 -0.03 0.00 0.82 0.00 0.00 66.70 66.20 1pj3 h VAL 2530Cb 0.01 1.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 1pj3 h VAL 2530CO -0.04 0.47 0.16 0.74 0.02 0.00 0.00 177.57 178.92 1pj3 h THR 2531N 0.37 1.20 -0.54 2.57 2.02 -0.32 0.16 112.91 118.36 1pj3 h THR 2531Ca 0.04 -0.63 -0.05 0.00 0.77 0.00 0.00 66.41 66.54 1pj3 h THR 2531Cb 0.84 0.84 -0.03 0.00 -1.74 0.00 0.00 68.15 68.07 1pj3 h THR 2531CO 0.07 0.23 0.14 -0.33 0.37 0.00 0.00 175.52 176.00 1pj3 h GLU 2532N 0.52 0.82 -0.28 6.66 5.08 -1.01 -1.87 114.58 124.49 1pj3 h GLU 2532Ca 0.14 -0.16 -0.10 0.00 -1.00 0.00 0.00 59.36 58.23 1pj3 h GLU 2532Cb 0.20 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1pj3 h GLU 2532CO -0.01 0.73 -0.22 -0.92 -1.00 0.00 0.00 179.01 177.60 1pj3 h TYR 2533N 0.80 0.76 -0.62 4.33 3.20 -0.78 -1.27 116.97 123.38 1pj3 h TYR 2533Ca 0.18 -0.21 -0.03 0.00 3.14 0.00 0.00 58.73 61.81 1pj3 h TYR 2533Cb 0.27 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.35 1pj3 h TYR 2533CO 0.02 0.92 0.28 -0.07 -1.64 0.00 0.00 178.16 177.67 1pj3 h LEU 2534N 0.38 0.83 -0.22 2.82 3.38 -0.45 -1.84 115.31 120.22 1pj3 h LEU 2534Ca 0.05 -0.15 -0.09 0.00 0.09 0.00 0.00 57.88 57.79 1pj3 h LEU 2534Cb 0.76 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 1pj3 h LEU 2534CO 0.06 0.75 -0.21 1.88 0.09 0.00 0.00 178.44 181.01 1pj3 h TYR 2535N 0.86 0.63 0.00 1.13 -1.99 -1.34 -2.75 116.97 113.51 1pj3 h TYR 2535Ca 0.21 -0.19 -0.01 0.00 2.00 0.00 0.00 58.73 60.74 1pj3 h TYR 2535Cb 0.15 -0.13 -0.00 0.00 2.00 0.00 0.00 36.73 38.75 1pj3 h TYR 2535CO 0.01 0.87 -0.06 0.00 -0.00 0.00 0.00 178.16 178.97 1pj3 h ALA 2536N 0.66 1.33 -0.35 3.88 0.00 -1.12 -2.11 119.26 121.55 1pj3 h ALA 2536Ca 0.04 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1pj3 h ALA 2536Cb 0.76 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 1pj3 h ALA 2536CO 0.05 0.07 0.00 0.09 0.00 0.00 0.00 179.25 179.46 1pj3 n ASN 2537N -3.63 4.44 -2.91 0.00 3.02 -0.70 -5.08 115.26 110.40 1pj3 n ASN 2537Ca -0.02 -3.00 -0.05 0.00 -0.03 0.00 0.00 54.58 51.47 1pj3 n ASN 2537Cb 0.16 -0.59 0.01 0.00 -0.61 0.00 0.00 39.78 38.75 1pj3 n ASN 2537CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1pj3 n LYS 2538N -0.18 -2.50 -0.42 3.52 4.01 -0.79 -5.02 118.16 116.78 1pj3 n LYS 2538Ca 0.23 2.14 0.00 0.00 -0.51 0.00 0.00 58.31 60.17 1pj3 n LYS 2538Cb 0.99 -4.31 0.00 0.00 -0.51 0.00 0.00 35.03 31.20 1pj3 n LYS 2538CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1pj3 n ALA 2540N 0.52 -1.00 -0.18 7.82 0.00 -1.10 -5.03 120.51 121.54 1pj3 n ALA 2540Ca 0.02 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.49 1pj3 n ALA 2540Cb 0.26 -0.16 0.07 0.00 0.00 0.00 0.00 19.45 19.62 1pj3 n ALA 2540CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1pj3 n PHE 2541N -0.00 0.17 -2.64 0.00 3.01 0.79 -4.91 117.46 113.88 1pj3 n PHE 2541Ca 0.00 -0.56 -0.43 0.00 1.01 0.00 0.00 57.45 57.48 1pj3 n PHE 2541Cb 0.00 -0.06 -0.02 0.00 -0.01 0.00 0.00 39.48 39.38 1pj3 n PHE 2541CO 0.00 0.00 0.00 0.50 1.01 0.00 0.00 176.76 178.27 1pj3 s ARG 2542N -1.23 4.37 0.06 -1.08 3.00 -0.93 -4.93 118.95 118.21 1pj3 s ARG 2542Ca 0.11 1.43 0.08 0.00 -1.00 0.00 0.00 55.73 56.35 1pj3 s ARG 2542Cb 0.07 -3.57 -0.03 0.00 0.00 0.00 0.00 34.95 31.42 1pj3 s ARG 2542CO 0.05 -0.41 -0.22 1.52 0.00 0.00 0.00 175.30 176.23 1pj3 s TYR 2543N 2.35 1.94 0.81 5.12 -0.85 -1.26 -4.04 117.35 121.42 1pj3 s TYR 2543Ca 0.49 -0.39 -0.12 0.00 -0.52 0.00 0.00 57.07 56.53 1pj3 s TYR 2543Cb -0.18 -1.13 0.08 0.00 0.38 0.00 0.00 41.96 41.11 1pj3 s TYR 2543CO 0.16 0.14 1.13 -1.25 -1.52 0.00 0.00 175.55 174.21 1pj3 s PRO 2544N -1.40 1.95 -0.11 -3.49 0.04 -1.26 -5.09 135.00 125.63 1pj3 s PRO 2544Ca 0.09 0.37 -0.30 0.00 0.04 0.00 0.00 61.00 61.20 1pj3 s PRO 2544Cb -0.09 -1.92 -0.03 0.00 0.04 0.00 0.00 34.50 32.50 1pj3 s PRO 2544CO 0.03 -1.66 1.30 -2.00 0.04 0.00 0.00 177.00 174.71 1pj3 s GLU 2545N -5.34 4.26 0.38 4.56 2.12 -1.26 -4.98 118.70 118.45 1pj3 s GLU 2545Ca 0.61 1.75 -0.27 0.00 0.36 0.00 0.00 54.97 57.41 1pj3 s GLU 2545Cb -0.13 -3.72 -0.10 0.00 0.26 0.00 0.00 34.13 30.44 1pj3 s GLU 2545CO 0.52 -0.65 1.40 -1.25 -0.54 0.00 0.00 175.26 174.74 1pj3 s PRO 2546N 3.16 4.08 -0.03 4.30 0.04 -1.26 -4.94 135.00 140.35 1pj3 s PRO 2546Ca 0.58 2.39 -0.25 0.00 0.04 0.00 0.00 61.00 63.76 1pj3 s PRO 2546Cb -0.24 -2.91 -0.20 0.00 0.04 0.00 0.00 34.50 31.19 1pj3 s PRO 2546CO 0.19 -0.49 1.17 0.93 0.04 0.00 0.00 177.00 178.84 1pj3 h GLU 2547N 2.94 -0.06 -4.17 4.56 5.08 -2.05 -3.39 114.58 117.49 1pj3 h GLU 2547Ca -0.50 0.00 -0.75 0.00 -1.00 0.00 0.00 59.36 57.12 1pj3 h GLU 2547Cb 1.24 0.01 -0.26 0.00 0.50 0.00 0.00 28.75 30.24 1pj3 h GLU 2547CO 0.64 0.45 -0.29 0.34 -1.00 0.00 0.00 179.01 179.15 1pj3 s ASP 2548N -5.66 5.99 0.38 1.42 2.15 -1.26 -4.95 116.67 114.74 1pj3 s ASP 2548Ca -0.16 -1.85 0.07 0.00 0.43 0.00 0.00 52.55 51.04 1pj3 s ASP 2548Cb 0.01 -2.13 0.75 0.00 -0.30 0.00 0.00 42.92 41.25 1pj3 s ASP 2548CO 0.64 -0.79 1.94 0.11 -0.17 0.00 0.00 175.17 176.90 1pj3 h LYS 2549N 8.70 0.40 0.24 4.34 6.56 -1.96 -1.39 116.57 133.46 1pj3 h LYS 2549Ca -0.26 -0.07 -0.01 0.00 -1.06 0.00 0.00 60.65 59.25 1pj3 h LYS 2549Cb 1.09 -0.07 0.00 0.00 -0.57 0.00 0.00 32.23 32.68 1pj3 h LYS 2549CO 0.96 0.43 -0.11 0.00 -2.06 0.00 0.00 179.45 178.67 1pj3 h ALA 2550N 1.62 -0.32 -0.81 3.86 0.00 -1.92 -1.79 119.26 119.91 1pj3 h ALA 2550Ca 0.09 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1pj3 h ALA 2550Cb 0.25 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 1pj3 h ALA 2550CO 0.01 -0.65 0.46 -0.22 0.00 0.00 0.00 179.25 178.84 1pj3 h LYS 2551N -0.37 1.12 -0.13 0.00 3.64 -1.95 -1.85 116.57 117.03 1pj3 h LYS 2551Ca -0.03 -0.12 0.03 0.00 -1.27 0.00 0.00 60.65 59.25 1pj3 h LYS 2551Cb 0.28 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 31.85 1pj3 h LYS 2551CO 0.05 0.82 -0.05 -0.92 -2.27 0.00 0.00 179.45 177.08 1pj3 h TYR 2552N 1.12 -0.12 0.35 1.91 3.20 -1.05 -1.59 116.97 120.78 1pj3 h TYR 2552Ca 0.29 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.15 1pj3 h TYR 2552Cb 0.01 0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.36 1pj3 h TYR 2552CO 0.00 -0.09 -0.17 0.28 -1.64 0.00 0.00 178.16 176.55 1pj3 h VAL 2553N -0.04 0.59 -0.39 1.81 2.07 -1.17 -3.10 116.25 116.02 1pj3 h VAL 2553Ca 0.07 -0.61 0.11 0.00 0.82 0.00 0.00 66.70 67.09 1pj3 h VAL 2553Cb 0.14 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 1pj3 h VAL 2553CO -0.15 0.11 0.30 0.11 0.02 0.00 0.00 177.57 177.95 1pj3 h LYS 2554N -0.85 0.00 0.00 1.57 1.57 -1.36 -0.27 116.57 117.23 1pj3 h LYS 2554Ca -0.05 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.64 1pj3 h LYS 2554Cb 0.53 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 1pj3 h LYS 2554CO 0.08 0.00 -0.46 1.49 -0.57 0.00 0.00 179.45 179.98 1pj3 h GLU 2555N 0.00 0.00 -0.67 3.15 4.81 -1.26 -3.25 114.58 117.36 1pj3 h GLU 2555Ca 0.19 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.42 1pj3 h GLU 2555Cb 0.79 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.17 1pj3 h GLU 2555CO -0.00 0.46 0.00 0.54 -0.73 0.00 0.00 179.01 179.28 1pj3 n ARG 2556N -3.65 3.05 -2.68 1.92 1.74 -0.12 -4.97 116.66 111.95 1pj3 n ARG 2556Ca -0.01 -2.68 -0.41 0.00 -0.77 0.00 0.00 57.85 53.98 1pj3 n ARG 2556Cb 0.54 -1.64 -0.04 0.00 -1.02 0.00 0.00 32.46 30.29 1pj3 n ARG 2556CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1pj3 s THR 2557N -1.28 4.29 0.29 0.55 -4.23 -1.17 -4.94 115.64 109.15 1pj3 s THR 2557Ca 0.47 1.96 -0.29 0.00 -1.18 0.00 0.00 61.69 62.65 1pj3 s THR 2557Cb 0.27 -4.25 -0.10 0.00 1.34 0.00 0.00 72.50 69.76 1pj3 s THR 2557CO 0.29 0.33 1.16 0.86 -0.54 0.00 0.00 174.62 176.72 1pj3 s TRP 2558N -0.22 3.44 0.15 3.99 -0.00 0.15 -5.04 118.94 121.41 1pj3 s TRP 2558Ca 0.47 1.62 0.08 0.00 -0.00 0.00 0.00 56.10 58.27 1pj3 s TRP 2558Cb -0.25 -3.39 -0.04 0.00 -0.00 0.00 0.00 33.47 29.79 1pj3 s TRP 2558CO 0.31 -0.90 -0.10 1.03 -0.00 0.00 0.00 176.95 177.29 1pj3 s ARG 2559N -1.53 2.06 0.06 5.86 3.00 -1.26 -4.65 118.95 122.49 1pj3 s ARG 2559Ca 0.46 -1.17 0.28 0.00 0.00 0.00 0.00 55.73 55.29 1pj3 s ARG 2559Cb -0.34 -2.21 1.00 0.00 0.00 0.00 0.00 34.95 33.40 1pj3 s ARG 2559CO 0.44 0.46 1.80 -1.13 0.00 0.00 0.00 175.30 176.87 1pj3 n SER 2560N 0.34 0.30 -4.77 0.23 3.41 -1.26 -4.87 113.62 107.01 1pj3 n SER 2560Ca -0.12 0.41 -0.40 0.00 -0.26 0.00 0.00 58.87 58.50 1pj3 n SER 2560Cb 0.54 -0.45 -0.00 0.00 -0.26 0.00 0.00 64.21 64.04 1pj3 n SER 2560CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1pj3 s GLU 2561N -3.03 4.01 0.46 4.33 8.01 -1.26 -4.71 118.70 126.51 1pj3 s GLU 2561Ca 0.12 2.32 -0.24 0.00 0.01 0.00 0.00 54.97 57.18 1pj3 s GLU 2561Cb 0.17 -2.84 -0.07 0.00 -4.31 0.00 0.00 34.13 27.07 1pj3 s GLU 2561CO 0.58 -0.52 1.33 0.71 0.01 0.00 0.00 175.26 177.37 1pj3 s TYR 2562N -1.19 2.61 0.18 1.61 4.12 -1.26 -5.03 117.35 118.39 1pj3 s TYR 2562Ca 0.55 1.38 0.05 0.00 0.02 0.00 0.00 57.07 59.08 1pj3 s TYR 2562Cb -0.41 -3.72 -0.04 0.00 -1.52 0.00 0.00 41.96 36.27 1pj3 s TYR 2562CO 0.54 -2.40 0.16 -0.51 0.02 0.00 0.00 175.55 173.36 1pj3 s ASP 2563N -0.83 5.58 0.15 2.29 1.01 -1.26 -5.08 116.67 118.52 1pj3 s ASP 2563Ca 0.62 -0.14 -0.30 0.00 0.71 0.00 0.00 52.55 53.45 1pj3 s ASP 2563Cb -0.39 -1.46 -0.07 0.00 1.01 0.00 0.00 42.92 42.01 1pj3 s ASP 2563CO 0.48 0.04 1.13 -0.55 0.21 0.00 0.00 175.17 176.48 1pj3 s SER 2564N -3.28 7.21 -0.04 0.27 0.15 -1.26 -4.91 113.70 111.83 1pj3 s SER 2564Ca 0.32 2.08 0.17 0.00 0.70 0.00 0.00 55.95 59.22 1pj3 s SER 2564Cb -0.10 -2.60 0.55 0.00 -1.71 0.00 0.00 66.02 62.16 1pj3 s SER 2564CO 0.24 -0.29 1.46 0.18 1.20 0.00 0.00 173.24 176.03 1pj3 n LEU 2565N 2.74 3.82 -4.76 3.45 4.77 -1.26 -5.00 117.00 120.75 1pj3 n LEU 2565Ca 0.04 -2.18 -0.40 0.00 -0.03 0.00 0.00 56.01 53.44 1pj3 n LEU 2565Cb 0.46 -0.43 -0.04 0.00 -2.33 0.00 0.00 43.42 41.08 1pj3 n LEU 2565CO 0.54 0.84 0.83 -0.76 -1.33 0.00 0.00 177.39 177.52 1pj3 s LEU 2566N -1.33 4.51 0.80 2.23 1.43 -1.26 -4.99 118.68 120.06 1pj3 s LEU 2566Ca 0.41 2.36 -0.11 0.00 -1.03 0.00 0.00 54.13 55.76 1pj3 s LEU 2566Cb 0.24 -3.65 0.07 0.00 0.03 0.00 0.00 46.19 42.88 1pj3 s LEU 2566CO 0.24 -0.25 1.11 -2.16 0.23 0.00 0.00 176.35 175.52 1pj3 s PRO 2567N -1.57 1.97 -0.87 1.29 0.04 -1.26 -4.89 135.00 129.71 1pj3 s PRO 2567Ca 0.46 1.33 -0.25 0.00 0.04 0.00 0.00 61.00 62.58 1pj3 s PRO 2567Cb -0.34 -1.85 0.03 0.00 0.04 0.00 0.00 34.50 32.38 1pj3 s PRO 2567CO 0.43 -1.88 1.43 0.34 0.04 0.00 0.00 177.00 177.36 1pj3 s ASP 2568N -3.05 6.20 -0.17 6.66 -1.08 -1.26 -4.98 116.67 118.99 1pj3 s ASP 2568Ca 0.64 -0.87 -0.07 0.00 -0.52 0.00 0.00 52.55 51.73 1pj3 s ASP 2568Cb -0.20 -2.56 -0.04 0.00 -1.46 0.00 0.00 42.92 38.66 1pj3 s ASP 2568CO 0.54 -1.77 0.07 -0.69 0.52 0.00 0.00 175.17 173.84 1pj3 s VAL 2569N 5.84 4.88 -0.09 1.11 1.01 -1.26 -5.08 120.40 126.80 1pj3 s VAL 2569Ca 0.44 -0.01 -0.30 0.00 0.00 0.00 0.00 61.98 62.11 1pj3 s VAL 2569Cb -0.05 -3.19 0.08 0.00 0.00 0.00 0.00 36.38 33.23 1pj3 s VAL 2569CO 0.03 0.48 0.76 -0.72 0.00 0.00 0.00 175.10 175.66 1pj3 s TYR 2570N 0.17 -0.59 0.22 5.22 -0.85 -1.26 -5.17 117.35 115.09 1pj3 s TYR 2570Ca 0.05 1.04 -0.14 0.00 -0.52 0.00 0.00 57.07 57.51 1pj3 s TYR 2570Cb -0.12 0.41 -0.08 0.00 0.38 0.00 0.00 41.96 42.56 1pj3 s TYR 2570CO 0.00 -0.53 0.61 -2.00 -1.52 0.00 0.00 175.55 172.12 1pj3 s GLU 2571N -1.08 3.97 0.27 -3.49 2.12 -1.26 -5.06 118.70 114.17 1pj3 s GLU 2571Ca -0.08 0.52 -0.25 0.00 0.36 0.00 0.00 54.97 55.51 1pj3 s GLU 2571Cb -0.00 -2.73 -0.09 0.00 0.26 0.00 0.00 34.13 31.56 1pj3 s GLU 2571CO 0.07 0.35 0.88 -1.58 -0.54 0.00 0.00 175.26 174.44 1pj3 s TRP 2572N -1.69 3.76 -2.00 5.30 0.51 -1.26 -5.35 118.94 118.21 1pj3 s TRP 2572Ca 0.45 1.71 0.01 0.00 -2.12 0.00 0.00 56.10 56.15 1pj3 s TRP 2572Cb -0.13 -2.85 0.08 0.00 -0.81 0.00 0.00 33.47 29.75 1pj3 s TRP 2572CO 0.20 0.31 0.57 -2.30 -0.51 0.00 0.00 176.95 175.22