#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pj4 s GLU 2023N 0.00 0.55 -0.04 1.97 0.41 -1.26 -5.08 118.70 115.25 1pj4 s GLU 2023Ca 0.00 0.95 -0.27 0.00 -0.41 0.00 0.00 54.97 55.24 1pj4 s GLU 2023Cb 0.00 -1.72 0.06 0.00 -1.78 0.00 0.00 34.13 30.69 1pj4 s GLU 2023CO 0.00 -2.76 0.58 0.21 -0.49 0.00 0.00 175.26 172.80 1pj4 s LYS 2024N -4.75 0.96 2.11 1.61 2.20 -1.26 -4.94 119.74 115.67 1pj4 s LYS 2024Ca 0.66 0.13 0.00 0.00 -0.36 0.00 0.00 55.97 56.39 1pj4 s LYS 2024Cb -0.21 0.45 0.00 0.00 -1.51 0.00 0.00 37.83 36.56 1pj4 s LYS 2024CO 0.59 -0.30 0.00 0.41 -0.36 0.00 0.00 175.35 175.70 1pj4 n GLY 2025N 0.98 -1.34 0.39 5.54 0.00 0.11 -4.18 105.19 106.69 1pj4 n GLY 2025Ca -0.20 -1.28 0.27 0.00 0.00 0.00 0.00 46.02 44.81 1pj4 n GLY 2025CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1pj4 h LYS 2026N 0.00 0.28 -0.30 1.61 1.63 -1.87 -0.27 116.57 117.64 1pj4 h LYS 2026Ca 0.00 -0.02 0.09 0.00 -0.85 0.00 0.00 60.65 59.87 1pj4 h LYS 2026Cb 0.00 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 31.55 1pj4 h LYS 2026CO 0.00 0.19 0.26 -1.35 -3.45 0.00 0.00 179.45 175.10 1pj4 h PRO 2027N 0.29 0.00 -0.83 1.90 0.11 -1.99 -2.44 132.00 129.03 1pj4 h PRO 2027Ca 0.72 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.83 1pj4 h PRO 2027Cb 1.86 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.97 1pj4 h PRO 2027CO -0.47 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 178.60 1pj4 n LEU 2028N -4.06 0.42 0.00 2.35 4.77 -0.12 -2.33 117.00 118.03 1pj4 n LEU 2028Ca 0.04 -0.21 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 1pj4 n LEU 2028Cb 0.42 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 1pj4 n LEU 2028CO 0.31 0.08 0.00 0.18 -1.33 0.00 0.00 177.39 176.63 1pj4 n LEU 2030N 0.58 0.00 -4.51 2.23 4.77 -0.92 -2.22 117.00 116.93 1pj4 n LEU 2030Ca 0.00 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.55 1pj4 n LEU 2030Cb 0.08 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.09 1pj4 n LEU 2030CO 0.00 0.00 0.21 0.21 -1.33 0.00 0.00 177.39 176.48 1pj4 s ASN 2031N 0.00 6.25 0.61 -1.43 3.84 -0.98 -4.93 114.94 118.29 1pj4 s ASN 2031Ca 0.00 -0.45 0.29 0.00 0.21 0.00 0.00 52.86 52.91 1pj4 s ASN 2031Cb 0.00 -2.26 1.58 0.00 -0.55 0.00 0.00 41.25 40.02 1pj4 s ASN 2031CO 0.00 -0.62 1.97 1.55 -2.79 0.00 0.00 177.10 177.21 1pj4 h PRO 2032N 8.73 0.00 -0.63 0.43 0.13 -1.79 0.89 132.00 139.76 1pj4 h PRO 2032Ca -0.26 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.79 1pj4 h PRO 2032Cb 1.11 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.21 1pj4 h PRO 2032CO 0.82 0.00 0.11 -0.09 -0.23 0.00 0.00 178.00 178.61 1pj4 h ARG 2033N 0.00 1.02 0.00 0.86 9.65 -1.90 0.19 114.38 124.20 1pj4 h ARG 2033Ca 0.13 -0.26 -0.11 0.00 -1.10 0.00 0.00 59.98 58.65 1pj4 h ARG 2033Cb 0.85 -0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 29.28 1pj4 h ARG 2033CO -0.00 0.93 -1.91 0.25 2.80 0.00 0.00 179.97 182.04 1pj4 n THR 2034N -4.22 0.40 -1.67 0.20 -2.24 -0.26 -4.76 114.28 101.73 1pj4 n THR 2034Ca 0.04 -0.50 -0.43 0.00 -2.27 0.00 0.00 64.05 60.89 1pj4 n THR 2034Cb 0.28 -0.14 -0.03 0.00 -2.10 0.00 0.00 70.33 68.33 1pj4 n THR 2034CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1pj4 n ASN 2035N -2.28 4.03 -0.20 3.42 5.15 0.15 -4.87 115.26 120.66 1pj4 n ASN 2035Ca -0.12 0.92 0.08 0.00 -0.60 0.00 0.00 54.58 54.86 1pj4 n ASN 2035Cb 0.66 -1.50 -0.04 0.00 -0.53 0.00 0.00 39.78 38.37 1pj4 n ASN 2035CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1pj4 n LYS 2036N 7.18 1.81 0.00 1.20 5.02 -1.26 -4.61 118.16 127.50 1pj4 n LYS 2036Ca 0.20 -0.43 0.00 0.00 -2.02 0.00 0.00 58.31 56.06 1pj4 n LYS 2036Cb 0.38 -1.25 0.00 0.00 -0.02 0.00 0.00 35.03 34.14 1pj4 n LYS 2036CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pj4 n GLY 2037N 1.25 0.86 3.88 0.72 0.00 -1.26 -4.32 105.19 106.32 1pj4 n GLY 2037Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1pj4 n GLY 2037CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pj4 n ALA 2039N 0.00 0.00 -1.84 4.61 0.00 -1.25 -4.98 120.51 117.04 1pj4 n ALA 2039Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 1pj4 n ALA 2039Cb 0.00 -0.38 -0.03 0.00 0.00 0.00 0.00 19.45 19.04 1pj4 n ALA 2039CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1pj4 s PHE 2040N -0.59 2.68 0.92 0.00 0.40 -1.26 -4.82 117.98 115.31 1pj4 s PHE 2040Ca 0.00 0.36 -0.12 0.00 -0.60 0.00 0.00 56.93 56.56 1pj4 s PHE 2040Cb 0.00 -4.03 0.14 0.00 0.51 0.00 0.00 43.02 39.64 1pj4 s PHE 2040CO 0.00 -4.02 1.11 0.95 0.70 0.00 0.00 175.22 173.96 1pj4 s THR 2041N 1.86 2.31 0.16 0.64 -4.23 -1.26 -4.79 115.64 110.33 1pj4 s THR 2041Ca 0.74 0.10 -0.16 0.00 -1.18 0.00 0.00 61.69 61.20 1pj4 s THR 2041Cb -0.44 -2.71 0.02 0.00 1.34 0.00 0.00 72.50 70.70 1pj4 s THR 2041CO 0.33 -0.13 1.81 0.25 -0.54 0.00 0.00 174.62 176.33 1pj4 h LEU 2042N -1.58 0.50 -0.26 4.79 5.85 -1.98 -0.82 115.31 121.82 1pj4 h LEU 2042Ca -0.51 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.18 1pj4 h LEU 2042Cb 1.31 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.20 1pj4 h LEU 2042CO 0.59 0.38 0.17 1.56 -0.34 0.00 0.00 178.44 180.79 1pj4 h GLN 2043N 0.58 0.33 -0.71 1.25 4.20 -1.99 -1.58 115.11 117.18 1pj4 h GLN 2043Ca 0.16 -0.02 0.04 0.00 0.06 0.00 0.00 58.65 58.89 1pj4 h GLN 2043Cb -0.04 -0.07 -0.05 0.00 0.30 0.00 0.00 27.48 27.62 1pj4 h GLN 2043CO -0.03 0.22 0.43 0.93 -0.67 0.00 0.00 178.83 179.71 1pj4 h GLU 2044N 0.34 0.80 -0.47 1.46 5.08 -1.85 -2.73 114.58 117.21 1pj4 h GLU 2044Ca 0.09 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 1pj4 h GLU 2044Cb -0.03 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.01 1pj4 h GLU 2044CO -0.03 0.53 0.19 0.00 -1.00 0.00 0.00 179.01 178.70 1pj4 h ARG 2045N 0.83 0.71 -0.76 2.33 3.08 -0.82 -0.55 114.38 119.19 1pj4 h ARG 2045Ca 0.30 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 60.21 1pj4 h ARG 2045Cb 0.08 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.01 1pj4 h ARG 2045CO -0.13 0.64 0.00 1.04 -1.07 0.00 0.00 179.97 180.45 1pj4 n GLN 2046N -4.57 0.47 0.00 0.04 6.02 -0.62 -0.12 117.38 118.59 1pj4 n GLN 2046Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.00 1pj4 n GLN 2046Cb 0.16 -1.24 0.00 0.00 1.02 0.00 0.00 30.24 30.17 1pj4 n GLN 2046CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1pj4 n LEU 2048N 0.40 0.00 -1.84 1.08 4.77 -0.22 -4.75 117.00 116.44 1pj4 n LEU 2048Ca 0.00 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.87 1pj4 n LEU 2048Cb 0.15 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.27 1pj4 n LEU 2048CO 0.00 0.00 0.10 0.61 -1.33 0.00 0.00 177.39 176.77 1pj4 n GLY 2049N 0.00 0.27 0.06 -0.72 0.00 -0.99 0.06 105.19 103.86 1pj4 n GLY 2049Ca 0.00 -0.27 0.02 0.00 0.00 0.00 0.00 46.02 45.77 1pj4 n GLY 2049CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pj4 n LEU 2050N -2.46 0.57 -4.68 0.99 4.77 0.83 -4.34 117.00 112.68 1pj4 n LEU 2050Ca -0.00 -0.66 -0.45 0.00 -0.03 0.00 0.00 56.01 54.87 1pj4 n LEU 2050Cb 0.53 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.58 1pj4 n LEU 2050CO 0.28 0.13 1.29 0.00 -1.33 0.00 0.00 177.39 177.76 1pj4 n GLN 2051N -0.65 2.35 0.00 3.23 1.13 -1.04 -1.04 117.38 121.36 1pj4 n GLN 2051Ca 0.01 0.85 0.00 0.00 -1.94 0.00 0.00 57.00 55.92 1pj4 n GLN 2051Cb 0.08 -2.65 0.00 0.00 0.11 0.00 0.00 30.24 27.77 1pj4 n GLN 2051CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1pj4 n GLY 2052N 3.70 2.21 0.38 1.08 0.00 -1.26 -4.84 105.19 106.46 1pj4 n GLY 2052Ca 0.17 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.31 1pj4 n GLY 2052CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pj4 n LEU 2053N 0.00 1.53 -4.23 0.99 4.77 -0.21 -4.88 117.00 114.97 1pj4 n LEU 2053Ca 0.00 -0.51 -0.18 0.00 -0.03 0.00 0.00 56.01 55.29 1pj4 n LEU 2053Cb 0.00 -0.06 -0.11 0.00 -2.33 0.00 0.00 43.42 40.92 1pj4 n LEU 2053CO 0.00 0.28 -0.45 -0.76 -1.33 0.00 0.00 177.39 175.13 1pj4 s LEU 2054N -2.47 2.38 0.74 2.23 1.43 -1.24 -5.13 118.68 116.62 1pj4 s LEU 2054Ca 0.22 -0.78 -0.15 0.00 -1.03 0.00 0.00 54.13 52.39 1pj4 s LEU 2054Cb 0.19 -0.54 0.04 0.00 0.03 0.00 0.00 46.19 45.91 1pj4 s LEU 2054CO 0.54 -0.14 1.22 -2.84 0.23 0.00 0.00 176.35 175.36 1pj4 s PRO 2055N -2.52 2.07 0.48 1.29 0.02 -1.26 -4.88 135.00 130.20 1pj4 s PRO 2055Ca 0.07 1.79 0.22 0.00 0.02 0.00 0.00 61.00 63.10 1pj4 s PRO 2055Cb -0.06 -1.82 1.25 0.00 0.02 0.00 0.00 34.50 33.89 1pj4 s PRO 2055CO 0.03 -1.89 1.93 -1.35 -0.33 0.00 0.00 177.00 175.38 1pj4 h PRO 2056N -0.33 0.20 -6.78 5.54 0.11 -2.00 -3.44 132.00 125.30 1pj4 h PRO 2056Ca -0.48 -0.01 -0.53 0.00 0.11 0.00 0.00 66.00 65.09 1pj4 h PRO 2056Cb 1.30 -0.04 0.08 0.00 0.11 0.00 0.00 31.00 32.45 1pj4 h PRO 2056CO 0.49 0.13 0.89 1.17 -0.21 0.00 0.00 178.00 180.48 1pj4 n LYS 2057N -4.41 2.71 -3.82 1.05 3.00 -1.26 -5.01 118.16 110.42 1pj4 n LYS 2057Ca 0.14 0.96 -0.36 0.00 -0.00 0.00 0.00 58.31 59.06 1pj4 n LYS 2057Cb 0.66 -2.75 -0.11 0.00 0.00 0.00 0.00 35.03 32.83 1pj4 n LYS 2057CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 1pj4 s ILE 2058N 0.11 4.80 0.34 3.15 -1.09 -1.26 -4.85 121.20 122.40 1pj4 s ILE 2058Ca 0.65 -0.02 0.08 0.00 -2.23 0.00 0.00 60.65 59.14 1pj4 s ILE 2058Cb -0.50 -3.22 -0.04 0.00 -1.58 0.00 0.00 42.46 37.12 1pj4 s ILE 2058CO 0.47 0.37 0.13 -1.61 -1.23 0.00 0.00 174.94 173.07 1pj4 s GLU 2059N 1.06 2.33 0.33 2.79 2.02 -1.26 -4.98 118.70 121.00 1pj4 s GLU 2059Ca 0.05 -1.58 0.07 0.00 0.02 0.00 0.00 54.97 53.54 1pj4 s GLU 2059Cb -0.14 -2.14 -0.03 0.00 0.10 0.00 0.00 34.13 31.92 1pj4 s GLU 2059CO 0.04 0.11 0.28 0.95 0.02 0.00 0.00 175.26 176.66 1pj4 s THR 2060N -2.44 3.56 0.39 3.63 -4.23 -1.26 -3.94 115.64 111.35 1pj4 s THR 2060Ca 0.37 -1.38 0.12 0.00 -1.18 0.00 0.00 61.69 59.63 1pj4 s THR 2060Cb -0.02 -3.19 0.12 0.00 1.34 0.00 0.00 72.50 70.75 1pj4 s THR 2060CO 0.22 -0.18 1.88 -0.61 -0.54 0.00 0.00 174.62 175.39 1pj4 h GLN 2061N 1.27 0.04 -0.70 3.99 4.15 -1.97 -2.46 115.11 119.43 1pj4 h GLN 2061Ca -0.45 -0.01 0.03 0.00 0.77 0.00 0.00 58.65 58.98 1pj4 h GLN 2061Cb 1.25 -0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.90 1pj4 h GLN 2061CO 0.59 0.33 0.44 -0.44 -1.93 0.00 0.00 178.83 177.81 1pj4 h ASP 2062N 0.04 0.73 -0.45 -0.69 3.45 -1.99 0.92 116.42 118.43 1pj4 h ASP 2062Ca 0.00 -0.00 -0.07 0.00 0.43 0.00 0.00 57.03 57.39 1pj4 h ASP 2062Cb 0.53 -0.16 -0.02 0.00 -0.56 0.00 0.00 39.33 39.12 1pj4 h ASP 2062CO 0.04 0.51 -0.01 0.40 -1.57 0.00 0.00 179.24 178.61 1pj4 h ILE 2063N 0.87 1.26 -0.60 0.35 2.04 -1.85 -1.41 117.51 118.18 1pj4 h ILE 2063Ca 0.27 -1.06 -0.05 0.00 1.00 0.00 0.00 64.86 65.03 1pj4 h ILE 2063Cb -0.01 1.05 -0.03 0.00 -0.74 0.00 0.00 36.82 37.10 1pj4 h ILE 2063CO -0.10 0.37 0.19 1.56 0.00 0.00 0.00 178.15 180.17 1pj4 h GLN 2064N 0.65 0.91 -0.67 2.37 4.20 -1.18 -1.47 115.11 119.91 1pj4 h GLN 2064Ca 0.13 -0.17 -0.08 0.00 0.06 0.00 0.00 58.65 58.59 1pj4 h GLN 2064Cb 0.51 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 28.12 1pj4 h GLN 2064CO 0.03 0.78 0.12 0.00 -0.67 0.00 0.00 178.83 179.09 1pj4 h ALA 2065N 1.33 0.89 -0.61 3.87 0.00 -0.53 -2.45 119.26 121.76 1pj4 h ALA 2065Ca 0.20 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 1pj4 h ALA 2065Cb 0.25 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1pj4 h ALA 2065CO -0.01 0.66 0.17 -0.07 0.00 0.00 0.00 179.25 179.99 1pj4 h LEU 2066N 1.04 0.88 -0.37 0.00 3.38 -0.59 -2.03 115.31 117.62 1pj4 h LEU 2066Ca 0.21 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1pj4 h LEU 2066Cb 0.43 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 1pj4 h LEU 2066CO 0.01 0.84 0.21 -0.09 0.09 0.00 0.00 178.44 179.50 1pj4 h ARG 2067N 0.90 0.51 0.67 1.13 2.43 -1.01 -1.62 114.38 117.39 1pj4 h ARG 2067Ca 0.20 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.29 1pj4 h ARG 2067Cb 0.29 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.74 1pj4 h ARG 2067CO -0.00 0.40 -0.42 0.35 -1.51 0.00 0.00 179.97 178.79 1pj4 h PHE 2068N 0.48 -1.10 -0.38 2.20 3.57 -1.02 -1.49 116.94 119.19 1pj4 h PHE 2068Ca 0.13 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.69 1pj4 h PHE 2068Cb 0.03 0.39 -0.02 0.00 2.79 0.00 0.00 35.95 39.15 1pj4 h PHE 2068CO -0.03 -0.63 0.26 0.45 -2.23 0.00 0.00 178.31 176.14 1pj4 h HIS 2069N -1.02 0.24 -0.01 0.41 3.86 -1.34 0.21 115.15 117.49 1pj4 h HIS 2069Ca -0.08 0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.13 1pj4 h HIS 2069Cb 0.83 -0.08 -0.00 0.00 1.06 0.00 0.00 27.41 29.22 1pj4 h HIS 2069CO -0.11 0.13 0.00 -0.09 0.86 0.00 0.00 177.93 178.73 1pj4 h ARG 2070N 0.24 0.02 -0.37 2.45 9.65 -1.03 -2.05 114.38 123.29 1pj4 h ARG 2070Ca 0.17 -0.01 -0.06 0.00 -1.10 0.00 0.00 59.98 58.99 1pj4 h ARG 2070Cb 0.38 -0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.94 1pj4 h ARG 2070CO -0.03 0.25 -0.00 -0.91 2.80 0.00 0.00 179.97 182.07 1pj4 h ASN 2071N -0.21 0.64 -0.90 -3.80 2.35 -0.16 -3.11 115.58 110.40 1pj4 h ASN 2071Ca 0.00 -0.31 0.05 0.00 -0.55 0.00 0.00 56.30 55.49 1pj4 h ASN 2071Cb 0.24 -0.17 -0.05 0.00 0.05 0.00 0.00 38.32 38.38 1pj4 h ASN 2071CO 0.00 0.80 0.59 0.25 -1.65 0.00 0.00 177.43 177.42 1pj4 h LEU 2072N 0.47 0.95 -0.80 1.61 5.85 -0.62 -2.25 115.31 120.53 1pj4 h LEU 2072Ca 0.10 -0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.87 1pj4 h LEU 2072Cb 0.47 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.24 1pj4 h LEU 2072CO 0.02 0.63 0.50 0.50 -0.34 0.00 0.00 178.44 179.75 1pj4 h LYS 2073N 1.09 0.91 -3.12 1.25 1.63 -1.29 -3.44 116.57 113.59 1pj4 h LYS 2073Ca 0.37 -0.05 -0.30 0.00 -0.85 0.00 0.00 60.65 59.82 1pj4 h LYS 2073Cb 0.09 -0.20 -0.00 0.00 -0.60 0.00 0.00 32.23 31.52 1pj4 h LYS 2073CO -0.12 0.60 1.83 1.63 -3.45 0.00 0.00 179.45 179.93 1pj4 n LYS 2074N -4.63 1.82 0.00 1.90 5.02 -0.85 -5.13 118.16 116.28 1pj4 n LYS 2074Ca 0.10 -1.19 0.00 0.00 -2.02 0.00 0.00 58.31 55.20 1pj4 n LYS 2074Cb 0.13 -2.25 0.00 0.00 -0.02 0.00 0.00 35.03 32.89 1pj4 n LYS 2074CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1pj4 n THR 2076N 3.74 0.00 -2.58 -0.18 -1.04 -1.26 -5.14 114.28 107.81 1pj4 n THR 2076Ca 0.39 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 62.07 1pj4 n THR 2076Cb 0.25 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.71 1pj4 n THR 2076CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1pj4 s SER 2077N -3.09 6.76 0.17 8.00 1.04 -1.26 -4.99 113.70 120.33 1pj4 s SER 2077Ca 0.00 1.62 -0.13 0.00 0.48 0.00 0.00 55.95 57.92 1pj4 s SER 2077Cb 0.00 -2.52 0.06 0.00 0.10 0.00 0.00 66.02 63.66 1pj4 s SER 2077CO 0.00 -0.49 1.73 -0.65 0.98 0.00 0.00 173.24 174.81 1pj4 h PRO 2078N 1.35 0.84 -0.72 4.02 0.11 -2.00 -2.29 132.00 133.33 1pj4 h PRO 2078Ca -0.48 -0.15 0.01 0.00 0.11 0.00 0.00 66.00 65.49 1pj4 h PRO 2078Cb 1.18 -0.14 -0.04 0.00 0.11 0.00 0.00 31.00 32.12 1pj4 h PRO 2078CO 0.61 0.72 0.48 1.25 -0.21 0.00 0.00 178.00 180.85 1pj4 h LEU 2079N 0.78 0.82 -0.82 2.35 5.85 -1.94 0.31 115.31 122.65 1pj4 h LEU 2079Ca 0.19 -0.02 -0.11 0.00 0.84 0.00 0.00 57.88 58.78 1pj4 h LEU 2079Cb 0.19 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 1pj4 h LEU 2079CO -0.02 0.59 -0.29 -0.08 -0.34 0.00 0.00 178.44 178.30 1pj4 h GLU 2080N 0.96 0.56 -0.17 1.25 4.81 -1.90 -1.62 114.58 118.47 1pj4 h GLU 2080Ca 0.27 -0.23 -0.16 0.00 -0.13 0.00 0.00 59.36 59.10 1pj4 h GLU 2080Cb -0.09 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.26 1pj4 h GLU 2080CO -0.06 0.79 -0.56 0.87 -0.73 0.00 0.00 179.01 179.32 1pj4 h LYS 2081N 0.48 0.53 -0.29 1.92 1.57 -0.50 -2.64 116.57 117.65 1pj4 h LYS 2081Ca 0.06 -0.34 -0.03 0.00 -1.87 0.00 0.00 60.65 58.47 1pj4 h LYS 2081Cb 0.74 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.08 1pj4 h LYS 2081CO 0.06 0.95 0.07 -0.92 -0.57 0.00 0.00 179.45 179.04 1pj4 h TYR 2082N 0.41 0.49 -0.78 -1.35 3.20 -0.20 -1.33 116.97 117.41 1pj4 h TYR 2082Ca 0.01 -0.06 -0.02 0.00 3.14 0.00 0.00 58.73 61.80 1pj4 h TYR 2082Cb 1.10 -0.14 -0.04 0.00 1.54 0.00 0.00 36.73 39.20 1pj4 h TYR 2082CO 0.04 0.53 0.41 0.82 -1.64 0.00 0.00 178.16 178.32 1pj4 h ILE 2083N 0.31 1.23 0.13 1.81 2.04 -1.28 -3.16 117.51 118.59 1pj4 h ILE 2083Ca 0.09 -0.60 -0.01 0.00 1.00 0.00 0.00 64.86 65.34 1pj4 h ILE 2083Cb 0.28 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 36.56 1pj4 h ILE 2083CO 0.00 0.27 -0.06 0.22 0.00 0.00 0.00 178.15 178.58 1pj4 h TYR 2084N 1.09 -0.16 0.00 1.37 3.20 -1.32 -2.47 116.97 118.68 1pj4 h TYR 2084Ca 0.27 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.14 1pj4 h TYR 2084Cb 0.05 0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.37 1pj4 h TYR 2084CO 0.01 0.29 0.00 0.44 -1.64 0.00 0.00 178.16 177.26 1pj4 n ILE 2085N -4.94 0.22 0.00 1.81 -5.35 -0.52 -2.60 119.36 107.99 1pj4 n ILE 2085Ca -0.08 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.40 1pj4 n ILE 2085Cb 0.26 -0.59 0.00 0.00 -1.74 0.00 0.00 39.64 37.57 1pj4 n ILE 2085CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1pj4 n GLY 2087N 0.86 0.00 0.19 3.28 0.00 -0.93 -3.12 105.19 105.47 1pj4 n GLY 2087Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 1pj4 n GLY 2087CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1pj4 h ILE 2088N 0.00 1.31 0.00 -0.61 2.04 -1.79 -2.19 117.51 116.27 1pj4 h ILE 2088Ca 0.00 -1.50 -0.01 0.00 1.00 0.00 0.00 64.86 64.35 1pj4 h ILE 2088Cb 0.00 1.69 -0.00 0.00 -0.74 0.00 0.00 36.82 37.76 1pj4 h ILE 2088CO 0.00 0.45 -0.06 -0.61 0.00 0.00 0.00 178.15 177.92 1pj4 h GLN 2089N 0.18 0.00 -0.13 2.37 4.15 -1.77 0.41 115.11 120.32 1pj4 h GLN 2089Ca 0.02 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.44 1pj4 h GLN 2089Cb 0.80 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.49 1pj4 h GLN 2089CO 0.06 0.06 0.00 0.39 -1.93 0.00 0.00 178.83 177.42 1pj4 n GLU 2090N -3.45 2.09 -0.00 1.69 -0.58 -0.84 -4.18 120.64 115.36 1pj4 n GLU 2090Ca -0.02 -1.61 -0.00 0.00 -0.42 0.00 0.00 57.16 55.11 1pj4 n GLU 2090Cb 0.20 -1.47 -0.00 0.00 -0.57 0.00 0.00 31.44 29.60 1pj4 n GLU 2090CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1pj4 n ARG 2091N 0.90 0.00 -3.39 3.49 1.74 -0.42 -4.50 116.66 114.48 1pj4 n ARG 2091Ca 0.17 0.00 -0.18 0.00 -0.77 0.00 0.00 57.85 57.07 1pj4 n ARG 2091Cb 0.49 -0.76 -0.09 0.00 -1.02 0.00 0.00 32.46 31.08 1pj4 n ARG 2091CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1pj4 s ASN 2092N -4.51 1.56 0.15 0.55 3.84 0.13 -4.19 114.94 112.48 1pj4 s ASN 2092Ca -0.00 -1.31 -0.17 0.00 0.21 0.00 0.00 52.86 51.58 1pj4 s ASN 2092Cb 0.00 0.44 0.05 0.00 -0.55 0.00 0.00 41.25 41.19 1pj4 s ASN 2092CO 0.00 -0.32 1.73 -0.08 -2.79 0.00 0.00 177.10 175.64 1pj4 h GLU 2093N 7.54 0.16 -0.24 0.43 4.81 -1.09 -0.93 114.58 125.26 1pj4 h GLU 2093Ca -0.02 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.23 1pj4 h GLU 2093Cb 1.05 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.36 1pj4 h GLU 2093CO 0.26 0.11 0.03 0.87 -0.73 0.00 0.00 179.01 179.55 1pj4 h LYS 2094N 0.17 0.12 -0.56 1.92 1.79 -1.86 -2.11 116.57 116.04 1pj4 h LYS 2094Ca 0.15 -0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 58.60 1pj4 h LYS 2094Cb 0.17 -0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 30.77 1pj4 h LYS 2094CO -0.21 0.08 0.26 1.25 -1.08 0.00 0.00 179.45 179.75 1pj4 h LEU 2095N 0.12 0.71 -0.02 2.94 5.85 -1.77 -1.42 115.31 121.71 1pj4 h LEU 2095Ca 0.11 -0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.78 1pj4 h LEU 2095Cb 0.12 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 1pj4 h LEU 2095CO -0.16 0.61 -0.06 0.15 -0.34 0.00 0.00 178.44 178.64 1pj4 h PHE 2096N 0.79 -0.16 -0.05 1.25 3.57 -0.52 -0.58 116.94 121.24 1pj4 h PHE 2096Ca 0.20 0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.58 1pj4 h PHE 2096Cb 0.09 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.90 1pj4 h PHE 2096CO 0.01 -0.10 -0.54 1.88 -2.23 0.00 0.00 178.31 177.33 1pj4 h TYR 2097N -0.10 0.19 -0.86 0.41 -1.99 -1.22 -2.36 116.97 111.02 1pj4 h TYR 2097Ca 0.04 -0.06 -0.02 0.00 2.00 0.00 0.00 58.73 60.68 1pj4 h TYR 2097Cb 0.15 -0.04 -0.04 0.00 2.00 0.00 0.00 36.73 38.80 1pj4 h TYR 2097CO -0.15 0.66 0.46 -0.09 -0.00 0.00 0.00 178.16 179.04 1pj4 h ARG 2098N 0.12 1.22 -0.52 4.88 9.65 -0.91 -0.74 114.38 128.07 1pj4 h ARG 2098Ca -0.00 -0.15 -0.03 0.00 -1.10 0.00 0.00 59.98 58.70 1pj4 h ARG 2098Cb 0.99 -0.23 -0.02 0.00 -1.39 0.00 0.00 29.97 29.31 1pj4 h ARG 2098CO 0.08 0.90 0.23 0.82 2.80 0.00 0.00 179.97 184.80 1pj4 h ILE 2099N 1.22 1.21 -0.25 1.20 1.08 -0.62 -1.17 117.51 120.18 1pj4 h ILE 2099Ca 0.30 -0.63 -0.03 0.00 -0.39 0.00 0.00 64.86 64.11 1pj4 h ILE 2099Cb 0.06 0.65 -0.01 0.00 -3.07 0.00 0.00 36.82 34.45 1pj4 h ILE 2099CO -0.05 0.24 0.02 -0.07 -0.69 0.00 0.00 178.15 177.61 1pj4 h LEU 2100N 0.70 0.41 -1.65 1.44 4.07 -1.12 -3.03 115.31 116.13 1pj4 h LEU 2100Ca 0.18 -0.28 0.04 0.00 0.08 0.00 0.00 57.88 57.89 1pj4 h LEU 2100Cb 0.17 -0.11 -0.02 0.00 1.08 0.00 0.00 40.66 41.77 1pj4 h LEU 2100CO -0.02 0.59 0.30 -0.61 -1.08 0.00 0.00 178.44 177.62 1pj4 h GLN 2101N 0.22 0.44 -0.99 1.13 4.15 -0.97 0.12 115.11 119.21 1pj4 h GLN 2101Ca 0.07 -0.03 0.03 0.00 0.77 0.00 0.00 58.65 59.50 1pj4 h GLN 2101Cb 0.37 -0.10 -0.06 0.00 0.21 0.00 0.00 27.48 27.90 1pj4 h GLN 2101CO 0.01 0.29 0.65 -0.44 -1.93 0.00 0.00 178.83 177.41 1pj4 h ASP 2102N 0.45 1.08 -0.20 -0.69 3.32 -1.08 -3.38 116.42 115.92 1pj4 h ASP 2102Ca 0.19 -0.01 -0.22 0.00 0.02 0.00 0.00 57.03 57.00 1pj4 h ASP 2102Cb 0.18 -0.25 -0.15 0.00 0.22 0.00 0.00 39.33 39.32 1pj4 h ASP 2102CO -0.05 0.75 -0.51 -0.67 -1.72 0.00 0.00 179.24 177.04 1pj4 n ASP 2103N -4.43 -2.87 0.19 6.45 -0.08 -0.92 -5.00 116.55 109.89 1pj4 n ASP 2103Ca 0.13 -3.24 0.15 0.00 -1.51 0.00 0.00 54.79 50.33 1pj4 n ASP 2103Cb 0.09 1.74 0.77 0.00 2.34 0.00 0.00 41.12 46.06 1pj4 n ASP 2103CO 0.00 0.00 0.00 -0.29 0.12 0.00 0.00 177.20 177.03 1pj4 h ILE 2104N 3.23 0.66 -0.22 5.18 6.09 -0.96 -2.55 117.51 128.95 1pj4 h ILE 2104Ca -0.11 0.00 -0.13 0.00 -1.37 0.00 0.00 64.86 63.25 1pj4 h ILE 2104Cb 1.03 0.88 -0.01 0.00 0.47 0.00 0.00 36.82 39.20 1pj4 h ILE 2104CO 0.29 0.00 -0.41 -0.08 -3.07 0.00 0.00 178.15 174.88 1pj4 h GLU 2105N 0.00 0.51 0.00 2.19 4.81 -1.85 -3.19 114.58 117.05 1pj4 h GLU 2105Ca 0.08 -0.26 -0.14 0.00 -0.13 0.00 0.00 59.36 58.92 1pj4 h GLU 2105Cb 0.40 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.76 1pj4 h GLU 2105CO -0.00 0.83 -1.17 0.66 -0.73 0.00 0.00 179.01 178.60 1pj4 h SER 2106N 0.42 0.00 -0.87 1.04 4.64 -1.86 -3.41 113.55 113.51 1pj4 h SER 2106Ca 0.04 0.00 -0.63 0.00 -0.47 0.00 0.00 61.79 60.72 1pj4 h SER 2106Cb 0.90 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 62.88 1pj4 h SER 2106CO 0.08 0.50 1.94 0.18 -0.87 0.00 0.00 176.83 178.66 1pj4 n LEU 2107N -2.94 7.58 0.00 5.97 4.77 -1.09 -4.50 117.00 126.80 1pj4 n LEU 2107Ca -0.06 -4.49 0.00 0.00 -0.03 0.00 0.00 56.01 51.43 1pj4 n LEU 2107Cb 0.79 -1.36 0.00 0.00 -2.33 0.00 0.00 43.42 40.51 1pj4 n LEU 2107CO 0.42 1.96 0.00 -2.65 -1.33 0.00 0.00 177.39 175.79 1pj4 n PRO 2109N 1.86 0.00 -0.10 3.23 -0.02 -1.26 -0.97 135.00 137.74 1pj4 n PRO 2109Ca 0.60 0.00 -0.23 0.00 -2.02 0.00 0.00 63.50 61.86 1pj4 n PRO 2109Cb 0.37 0.00 -0.12 0.00 -0.02 0.00 0.00 33.50 33.73 1pj4 n PRO 2109CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1pj4 n ILE 2110N 0.00 1.56 0.42 4.25 2.08 -1.26 -2.30 119.36 124.10 1pj4 n ILE 2110Ca 0.00 -0.12 0.12 0.00 0.56 0.00 0.00 62.75 63.31 1pj4 n ILE 2110Cb 0.00 -2.00 0.19 0.00 -0.75 0.00 0.00 39.64 37.08 1pj4 n ILE 2110CO 0.00 0.00 0.00 1.62 0.56 0.00 0.00 176.55 178.73 1pj4 h VAL 2111N -0.90 0.00 -1.42 1.39 3.04 -1.44 -3.37 116.25 113.56 1pj4 h VAL 2111Ca -0.39 -0.69 0.00 0.00 -1.01 0.00 0.00 66.70 64.61 1pj4 h VAL 2111Cb 1.40 1.44 0.00 0.00 -2.01 0.00 0.00 31.29 32.12 1pj4 h VAL 2111CO -0.21 0.00 0.00 0.00 -1.01 0.00 0.00 177.57 176.35 1pj4 n TYR 2112N -2.46 0.00 -2.08 3.17 9.36 -1.26 -4.65 117.16 119.24 1pj4 n TYR 2112Ca 0.03 0.00 -0.40 0.00 3.32 0.00 0.00 57.90 60.85 1pj4 n TYR 2112Cb 0.48 0.00 -0.02 0.00 -0.63 0.00 0.00 39.34 39.17 1pj4 n TYR 2112CO 0.00 0.00 0.00 -0.08 0.22 0.00 0.00 176.86 177.00 1pj4 s THR 2113N 0.97 2.66 -0.05 2.97 -1.32 -1.26 -1.05 115.64 118.55 1pj4 s THR 2113Ca 0.00 0.64 0.13 0.00 -1.21 0.00 0.00 61.69 61.25 1pj4 s THR 2113Cb 0.00 -3.40 -0.16 0.00 -1.51 0.00 0.00 72.50 67.42 1pj4 s THR 2113CO 0.00 0.14 0.92 1.55 -2.21 0.00 0.00 174.62 175.02 1pj4 h PRO 2114N 3.19 0.00 -1.02 7.08 0.13 -1.95 -3.36 132.00 136.07 1pj4 h PRO 2114Ca -0.49 0.00 0.28 0.00 -0.87 0.00 0.00 66.00 64.92 1pj4 h PRO 2114Cb 1.23 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.30 1pj4 h PRO 2114CO 0.65 0.53 0.70 1.15 -0.23 0.00 0.00 178.00 180.80 1pj4 h THR 2115N 0.00 0.52 -0.07 1.56 2.02 -1.17 0.28 112.91 116.06 1pj4 h THR 2115Ca -0.16 -0.06 -0.04 0.00 0.77 0.00 0.00 66.41 66.92 1pj4 h THR 2115Cb 1.76 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 68.51 1pj4 h THR 2115CO 0.08 0.03 -0.13 1.62 0.37 0.00 0.00 175.52 177.48 1pj4 h VAL 2116N 0.17 1.14 -0.49 3.16 3.04 -1.25 -0.51 116.25 121.51 1pj4 h VAL 2116Ca 0.52 -0.62 -0.13 0.00 -1.01 0.00 0.00 66.70 65.46 1pj4 h VAL 2116Cb 1.73 1.24 -0.01 0.00 -2.01 0.00 0.00 31.29 32.24 1pj4 h VAL 2116CO -0.11 0.18 -0.20 1.23 -1.01 0.00 0.00 177.57 177.67 1pj4 h GLY 2117N 0.57 1.06 0.97 3.17 0.00 -1.19 -1.03 103.07 106.62 1pj4 h GLY 2117Ca 0.02 -0.92 -0.06 0.00 0.00 0.00 0.00 47.33 46.38 1pj4 h GLY 2117CO 0.02 0.84 0.07 -2.00 0.00 0.00 0.00 176.54 175.47 1pj4 h LEU 2118N 0.85 0.74 -0.78 3.11 5.85 -1.23 -2.26 115.31 121.58 1pj4 h LEU 2118Ca 0.12 -0.26 -0.04 0.00 0.84 0.00 0.00 57.88 58.53 1pj4 h LEU 2118Cb 0.77 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.56 1pj4 h LEU 2118CO 0.06 0.81 0.34 0.00 -0.34 0.00 0.00 178.44 179.31 1pj4 h ALA 2119N 0.95 1.02 -0.53 1.25 0.00 -0.94 -2.75 119.26 118.26 1pj4 h ALA 2119Ca 0.14 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1pj4 h ALA 2119Cb 0.39 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1pj4 h ALA 2119CO 0.01 0.62 0.29 0.00 0.00 0.00 0.00 179.25 180.17 1pj4 h SER 2121N 0.71 0.00 0.00 0.00 4.64 -1.12 -2.26 113.55 115.52 1pj4 h SER 2121Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 1pj4 h SER 2121Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 1pj4 h SER 2121CO -0.03 0.00 -0.08 0.00 -0.87 0.00 0.00 176.83 175.85 1pj4 n GLN 2122N -2.47 1.45 -0.32 4.77 6.02 -0.80 -4.86 117.38 121.17 1pj4 n GLN 2122Ca -0.01 -1.72 0.21 0.00 -0.01 0.00 0.00 57.00 55.47 1pj4 n GLN 2122Cb 0.12 -1.05 0.42 0.00 1.02 0.00 0.00 30.24 30.75 1pj4 n GLN 2122CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 177.06 175.13 1pj4 h TYR 2123N 0.00 0.70 0.00 1.08 3.20 0.49 0.27 116.97 122.71 1pj4 h TYR 2123Ca 0.00 0.04 -0.06 0.00 3.14 0.00 0.00 58.73 61.86 1pj4 h TYR 2123Cb 0.91 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 39.02 1pj4 h TYR 2123CO 0.02 -0.22 -0.28 0.78 -1.64 0.00 0.00 178.16 176.82 1pj4 h GLY 2124N 0.25 0.00 1.83 1.82 0.00 -1.84 -2.19 103.07 102.94 1pj4 h GLY 2124Ca 0.68 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.79 1pj4 h GLY 2124CO -0.65 0.00 -1.12 0.45 0.00 0.00 0.00 176.54 175.22 1pj4 h HIS 2125N 0.00 0.05 -0.14 5.60 3.86 -0.75 -3.34 115.15 120.43 1pj4 h HIS 2125Ca -0.00 -0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.17 1pj4 h HIS 2125Cb 0.70 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.17 1pj4 h HIS 2125CO 0.00 1.04 0.00 0.44 0.86 0.00 0.00 177.93 180.27 1pj4 n ILE 2126N -3.33 0.20 -1.61 2.45 -5.35 -0.96 -5.02 119.36 105.74 1pj4 n ILE 2126Ca -0.03 -0.60 -0.46 0.00 -0.27 0.00 0.00 62.75 61.39 1pj4 n ILE 2126Cb 0.96 1.24 -0.03 0.00 -1.74 0.00 0.00 39.64 40.08 1pj4 n ILE 2126CO 0.00 0.00 0.00 0.33 -1.76 0.00 0.00 176.55 175.12 1pj4 n PHE 2127N 1.17 1.49 0.00 4.28 7.35 -0.83 -4.88 117.46 126.05 1pj4 n PHE 2127Ca 0.14 0.63 0.00 0.00 -0.76 0.00 0.00 57.45 57.46 1pj4 n PHE 2127Cb 0.52 -2.31 0.00 0.00 0.35 0.00 0.00 39.48 38.04 1pj4 n PHE 2127CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 1pj4 n ARG 2128N 1.39 0.00 -3.91 -4.13 1.74 -1.26 -5.09 116.66 105.39 1pj4 n ARG 2128Ca 0.12 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 57.09 1pj4 n ARG 2128Cb 0.29 -0.11 -0.13 0.00 -1.02 0.00 0.00 32.46 31.49 1pj4 n ARG 2128CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1pj4 s ARG 2129N -1.96 0.13 0.45 5.56 0.52 -1.26 -5.15 118.95 117.23 1pj4 s ARG 2129Ca 0.00 -0.24 -0.17 0.00 -0.52 0.00 0.00 55.73 54.80 1pj4 s ARG 2129Cb 0.00 0.05 -0.09 0.00 0.52 0.00 0.00 34.95 35.43 1pj4 s ARG 2129CO 0.00 -0.02 0.92 -1.25 0.02 0.00 0.00 175.30 174.96 1pj4 s PRO 2130N -0.59 4.02 0.01 3.54 0.04 -1.26 -5.07 135.00 135.70 1pj4 s PRO 2130Ca -0.06 0.90 0.04 0.00 0.04 0.00 0.00 61.00 61.92 1pj4 s PRO 2130Cb -0.04 -2.22 -0.01 0.00 0.04 0.00 0.00 34.50 32.27 1pj4 s PRO 2130CO -0.00 -0.11 -0.12 0.15 0.04 0.00 0.00 177.00 176.95 1pj4 s LYS 2131N -3.64 0.90 0.00 4.56 1.02 -1.26 -5.10 119.74 116.22 1pj4 s LYS 2131Ca 0.58 -0.56 0.00 0.00 0.02 0.00 0.00 55.97 56.01 1pj4 s LYS 2131Cb -0.10 -0.88 0.00 0.00 -0.52 0.00 0.00 37.83 36.34 1pj4 s LYS 2131CO 0.24 0.23 0.00 0.41 -0.92 0.00 0.00 175.35 175.31 1pj4 n GLY 2132N 2.38 -1.29 3.72 -3.33 0.00 -1.26 -4.93 105.19 100.48 1pj4 n GLY 2132Ca -0.16 -1.57 -0.35 0.00 0.00 0.00 0.00 46.02 43.94 1pj4 n GLY 2132CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pj4 s LEU 2133N -2.47 4.07 -0.19 0.99 1.43 -0.03 -5.00 118.68 117.49 1pj4 s LEU 2133Ca 0.00 0.22 -0.03 0.00 -1.03 0.00 0.00 54.13 53.29 1pj4 s LEU 2133Cb 0.00 -2.03 -0.01 0.00 0.03 0.00 0.00 46.19 44.18 1pj4 s LEU 2133CO 0.00 0.24 -0.06 -0.36 0.23 0.00 0.00 176.35 176.39 1pj4 s PHE 2134N 0.01 2.93 -0.17 0.29 0.40 -1.26 -1.08 117.98 119.10 1pj4 s PHE 2134Ca 0.08 -0.75 0.01 0.00 -0.60 0.00 0.00 56.93 55.67 1pj4 s PHE 2134Cb -0.12 -2.01 0.03 0.00 0.51 0.00 0.00 43.02 41.43 1pj4 s PHE 2134CO 0.00 -0.37 -0.15 0.42 0.70 0.00 0.00 175.22 175.82 1pj4 s ILE 2135N 0.99 1.78 0.23 0.64 1.01 -0.42 -5.00 121.20 120.43 1pj4 s ILE 2135Ca -0.00 -0.85 0.08 0.00 0.00 0.00 0.00 60.65 59.88 1pj4 s ILE 2135Cb -0.15 -1.69 -0.04 0.00 0.01 0.00 0.00 42.46 40.60 1pj4 s ILE 2135CO 0.00 0.42 0.07 -0.94 0.00 0.00 0.00 174.94 174.49 1pj4 s SER 2136N 1.39 5.00 0.62 3.58 1.04 -1.26 0.04 113.70 124.11 1pj4 s SER 2136Ca 0.03 -0.41 0.32 0.00 0.48 0.00 0.00 55.95 56.38 1pj4 s SER 2136Cb -0.14 -1.12 1.78 0.00 0.10 0.00 0.00 66.02 66.64 1pj4 s SER 2136CO -0.11 0.02 2.09 -0.29 0.98 0.00 0.00 173.24 175.93 1pj4 h ILE 2137N 1.93 0.27 0.00 -1.02 6.09 -1.38 0.61 117.51 124.02 1pj4 h ILE 2137Ca -0.47 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.02 1pj4 h ILE 2137Cb 1.23 0.81 0.00 0.00 0.47 0.00 0.00 36.82 39.33 1pj4 h ILE 2137CO 0.60 0.00 0.00 -1.20 -3.07 0.00 0.00 178.15 174.48 1pj4 n SER 2138N -3.46 0.00 -1.07 2.19 7.64 -1.26 -2.51 113.62 115.15 1pj4 n SER 2138Ca 0.00 0.15 0.10 0.00 1.01 0.00 0.00 58.87 60.13 1pj4 n SER 2138Cb 0.32 -0.36 0.23 0.00 -1.01 0.00 0.00 64.21 63.39 1pj4 n SER 2138CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1pj4 n ASP 2139N -1.36 3.44 -4.65 6.43 8.00 0.21 -4.99 116.55 123.63 1pj4 n ASP 2139Ca 0.09 -1.96 -0.47 0.00 0.71 0.00 0.00 54.79 53.16 1pj4 n ASP 2139Cb 0.21 -0.32 -0.04 0.00 -0.02 0.00 0.00 41.12 40.95 1pj4 n ASP 2139CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 1pj4 n ARG 2140N 1.29 1.91 -0.01 -1.24 1.85 -1.04 -0.53 116.66 118.88 1pj4 n ARG 2140Ca 0.19 0.69 0.00 0.00 -1.00 0.00 0.00 57.85 57.72 1pj4 n ARG 2140Cb 0.55 -2.41 0.00 0.00 -1.05 0.00 0.00 32.46 29.55 1pj4 n ARG 2140CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1pj4 n GLY 2141N 3.07 0.52 0.62 2.89 0.00 -1.26 -4.85 105.19 106.18 1pj4 n GLY 2141Ca 0.17 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.21 1pj4 n GLY 2141CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1pj4 n HIS 2142N -2.00 0.00 0.16 1.61 8.25 0.31 -4.87 115.22 118.68 1pj4 n HIS 2142Ca 0.00 -0.26 0.05 0.00 -0.26 0.00 0.00 57.72 57.25 1pj4 n HIS 2142Cb 0.00 -0.09 0.51 0.00 1.12 0.00 0.00 29.99 31.54 1pj4 n HIS 2142CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1pj4 h VAL 2143N 5.90 1.08 -0.51 1.59 2.07 -1.87 -2.82 116.25 121.70 1pj4 h VAL 2143Ca -0.04 -0.29 -0.08 0.00 0.82 0.00 0.00 66.70 67.11 1pj4 h VAL 2143Cb 1.42 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 32.13 1pj4 h VAL 2143CO 0.02 0.10 0.01 -0.09 0.02 0.00 0.00 177.57 177.63 1pj4 h ARG 2144N 0.19 0.89 0.00 1.57 9.65 -1.89 -1.97 114.38 122.82 1pj4 h ARG 2144Ca 0.05 -0.28 -0.04 0.00 -1.10 0.00 0.00 59.98 58.61 1pj4 h ARG 2144Cb 0.10 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 28.60 1pj4 h ARG 2144CO -0.00 0.91 -0.18 0.66 2.80 0.00 0.00 179.97 184.16 1pj4 h SER 2145N 0.76 0.00 -0.07 -3.80 4.64 -1.89 -0.88 113.55 112.31 1pj4 h SER 2145Ca 0.15 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.44 1pj4 h SER 2145Cb 0.51 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.59 1pj4 h SER 2145CO 0.02 0.18 -0.07 0.40 -0.87 0.00 0.00 176.83 176.50 1pj4 h ILE 2146N 0.00 1.37 -0.09 0.95 2.04 -1.38 -2.99 117.51 117.41 1pj4 h ILE 2146Ca -0.00 -1.22 -0.01 0.00 1.00 0.00 0.00 64.86 64.62 1pj4 h ILE 2146Cb 0.41 2.03 -0.01 0.00 -0.74 0.00 0.00 36.82 38.51 1pj4 h ILE 2146CO 0.02 0.34 -0.01 0.58 0.00 0.00 0.00 178.15 179.08 1pj4 h VAL 2147N -0.27 1.07 0.00 1.67 2.07 -0.85 -0.51 116.25 119.44 1pj4 h VAL 2147Ca 0.01 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.25 1pj4 h VAL 2147Cb 0.57 1.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.37 1pj4 h VAL 2147CO 0.02 0.09 0.00 0.47 0.02 0.00 0.00 177.57 178.17 1pj4 n ASP 2148N -4.44 0.00 0.10 0.57 8.00 -0.38 -2.49 116.55 117.90 1pj4 n ASP 2148Ca -0.02 0.43 0.12 0.00 0.71 0.00 0.00 54.79 56.03 1pj4 n ASP 2148Cb 0.14 -0.47 0.22 0.00 -0.02 0.00 0.00 41.12 41.00 1pj4 n ASP 2148CO 0.00 0.00 0.00 0.78 -0.39 0.00 0.00 177.20 177.59 1pj4 h ASN 2149N 0.00 0.00 -2.84 -2.24 2.35 -0.95 -3.45 115.58 108.46 1pj4 h ASN 2149Ca 0.00 -0.10 -0.54 0.00 -0.55 0.00 0.00 56.30 55.11 1pj4 h ASN 2149Cb 0.33 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.72 1pj4 h ASN 2149CO 0.00 0.05 0.88 0.86 -1.65 0.00 0.00 177.43 177.57 1pj4 s TRP 2150N -3.17 2.78 0.26 1.19 -0.11 -1.04 -4.91 118.94 113.94 1pj4 s TRP 2150Ca 0.07 0.64 -0.04 0.00 1.22 0.00 0.00 56.10 58.00 1pj4 s TRP 2150Cb 0.12 -3.80 0.38 0.00 -1.50 0.00 0.00 33.47 28.67 1pj4 s TRP 2150CO 0.68 -3.03 1.87 -1.35 -4.62 0.00 0.00 176.95 170.50 1pj4 h PRO 2151N 7.75 1.06 -6.60 5.86 0.11 -1.90 -3.44 132.00 134.84 1pj4 h PRO 2151Ca -0.41 -0.06 -0.52 0.00 0.11 0.00 0.00 66.00 65.12 1pj4 h PRO 2151Cb 1.19 -0.24 0.01 0.00 0.11 0.00 0.00 31.00 32.08 1pj4 h PRO 2151CO 0.91 0.70 0.54 -1.21 -0.21 0.00 0.00 178.00 178.73 1pj4 s GLU 2152N -6.05 4.49 0.07 1.05 0.41 -1.26 -4.96 118.70 112.45 1pj4 s GLU 2152Ca -0.13 1.81 0.23 0.00 -0.41 0.00 0.00 54.97 56.48 1pj4 s GLU 2152Cb 0.19 -3.28 0.09 0.00 -1.78 0.00 0.00 34.13 29.36 1pj4 s GLU 2152CO 0.80 -0.11 1.07 0.09 -0.49 0.00 0.00 175.26 176.62 1pj4 n ASN 2153N 2.94 0.62 -3.19 -0.19 3.02 -1.26 -4.62 115.26 112.58 1pj4 n ASN 2153Ca 0.06 -0.13 -0.25 0.00 -0.03 0.00 0.00 54.58 54.22 1pj4 n ASN 2153Cb 0.45 0.69 -0.06 0.00 -0.61 0.00 0.00 39.78 40.26 1pj4 n ASN 2153CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 1pj4 n HIS 2154N -2.01 2.41 -2.42 3.10 -0.00 -1.26 -4.92 115.22 110.11 1pj4 n HIS 2154Ca 0.02 -3.94 -0.42 0.00 0.46 0.00 0.00 57.72 53.84 1pj4 n HIS 2154Cb 0.44 -0.47 -0.03 0.00 -0.12 0.00 0.00 29.99 29.81 1pj4 n HIS 2154CO 0.00 0.00 0.00 0.08 0.46 0.00 0.00 176.34 176.88 1pj4 s VAL 2155N -2.84 4.02 -0.01 3.57 1.01 -1.26 -4.55 120.40 120.34 1pj4 s VAL 2155Ca 0.42 1.45 0.06 0.00 0.00 0.00 0.00 61.98 63.91 1pj4 s VAL 2155Cb 0.23 -3.93 -0.09 0.00 0.00 0.00 0.00 36.38 32.59 1pj4 s VAL 2155CO -0.08 0.11 0.12 0.29 0.00 0.00 0.00 175.10 175.55 1pj4 n LYS 2156N 3.93 0.38 -3.78 2.72 4.76 0.81 -4.89 118.16 122.09 1pj4 n LYS 2156Ca 0.09 -0.05 -0.15 0.00 -2.87 0.00 0.00 58.31 55.33 1pj4 n LYS 2156Cb 0.46 -1.14 -0.16 0.00 -1.84 0.00 0.00 35.03 32.35 1pj4 n LYS 2156CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1pj4 s ALA 2157N -2.40 0.09 -0.04 7.82 0.00 -0.42 -1.64 121.76 125.16 1pj4 s ALA 2157Ca -0.02 0.30 0.05 0.00 0.00 0.00 0.00 51.96 52.30 1pj4 s ALA 2157Cb 0.04 -0.25 -0.01 0.00 0.00 0.00 0.00 23.12 22.90 1pj4 s ALA 2157CO 0.25 -0.11 -0.21 0.08 0.00 0.00 0.00 175.76 175.77 1pj4 s VAL 2158N 1.07 1.70 -0.16 0.00 1.01 0.34 -0.22 120.40 124.15 1pj4 s VAL 2158Ca -0.09 -0.88 0.01 0.00 0.00 0.00 0.00 61.98 61.02 1pj4 s VAL 2158Cb -0.13 -1.44 0.02 0.00 0.00 0.00 0.00 36.38 34.82 1pj4 s VAL 2158CO -0.03 0.48 -0.18 -0.69 0.00 0.00 0.00 175.10 174.68 1pj4 s VAL 2159N -0.14 1.87 0.03 2.92 1.01 -0.90 -0.29 120.40 124.90 1pj4 s VAL 2159Ca -0.01 -0.83 0.07 0.00 0.00 0.00 0.00 61.98 61.20 1pj4 s VAL 2159Cb -0.12 -1.70 -0.02 0.00 0.00 0.00 0.00 36.38 34.54 1pj4 s VAL 2159CO 0.02 0.51 -0.20 0.54 0.00 0.00 0.00 175.10 175.97 1pj4 s VAL 2160N 1.24 1.63 0.10 2.92 0.11 -0.60 -0.63 120.40 125.16 1pj4 s VAL 2160Ca 0.02 -1.11 -0.01 0.00 -2.93 0.00 0.00 61.98 57.95 1pj4 s VAL 2160Cb -0.14 -1.40 -0.04 0.00 -1.53 0.00 0.00 36.38 33.28 1pj4 s VAL 2160CO -0.09 0.26 0.03 0.28 -3.33 0.00 0.00 175.10 172.24 1pj4 s THR 2161N -0.72 0.15 0.00 5.04 -1.32 -0.84 -0.40 115.64 117.54 1pj4 s THR 2161Ca 0.07 -1.86 0.00 0.00 -1.21 0.00 0.00 61.69 58.69 1pj4 s THR 2161Cb -0.08 -1.84 0.00 0.00 -1.51 0.00 0.00 72.50 69.07 1pj4 s THR 2161CO 0.01 -0.66 0.88 -0.90 -2.21 0.00 0.00 174.62 171.73 1pj4 n ASP 2162N -0.02 1.65 -2.19 8.08 5.75 -1.26 -0.98 116.55 127.59 1pj4 n ASP 2162Ca -0.09 -1.77 -0.17 0.00 -0.01 0.00 0.00 54.79 52.75 1pj4 n ASP 2162Cb 0.63 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.69 1pj4 n ASP 2162CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1pj4 n GLY 2163N -0.38 0.03 0.12 6.12 0.00 -1.26 -4.65 105.19 105.17 1pj4 n GLY 2163Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 1pj4 n GLY 2163CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1pj4 h GLU 2164N 0.00 0.00 -2.07 1.61 4.81 -1.81 -0.72 114.58 116.41 1pj4 h GLU 2164Ca -0.40 0.00 -0.57 0.00 -0.13 0.00 0.00 59.36 58.26 1pj4 h GLU 2164Cb 1.26 0.00 -0.40 0.00 0.63 0.00 0.00 28.75 30.24 1pj4 h GLU 2164CO 0.49 0.25 -0.99 -2.13 -0.73 0.00 0.00 179.01 175.90 1pj4 n ARG 2165N -2.95 1.09 -2.62 1.92 0.63 -1.01 -2.40 116.66 111.32 1pj4 n ARG 2165Ca -0.03 -3.54 -0.43 0.00 -0.92 0.00 0.00 57.85 52.93 1pj4 n ARG 2165Cb 0.72 -1.46 -0.02 0.00 0.45 0.00 0.00 32.46 32.14 1pj4 n ARG 2165CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1pj4 s ILE 2166N -1.41 4.25 0.00 5.15 -1.09 0.21 -4.52 121.20 123.79 1pj4 s ILE 2166Ca 0.36 1.24 0.00 0.00 -2.23 0.00 0.00 60.65 60.02 1pj4 s ILE 2166Cb 0.16 -4.58 0.00 0.00 -1.58 0.00 0.00 42.46 36.46 1pj4 s ILE 2166CO -0.09 -0.95 0.00 0.18 -1.23 0.00 0.00 174.94 172.84 1pj4 n LEU 2167N 7.72 0.00 -0.33 2.97 4.77 -1.26 -0.22 117.00 130.65 1pj4 n LEU 2167Ca 0.12 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 56.19 1pj4 n LEU 2167Cb 0.49 0.00 0.17 0.00 -2.33 0.00 0.00 43.42 41.75 1pj4 n LEU 2167CO 0.70 0.00 0.60 0.61 -1.33 0.00 0.00 177.39 177.97 1pj4 n GLY 2168N 0.00 4.69 0.05 -0.72 0.00 0.19 -4.62 105.19 104.78 1pj4 n GLY 2168Ca 0.00 -1.13 0.12 0.00 0.00 0.00 0.00 46.02 45.01 1pj4 n GLY 2168CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pj4 n LEU 2169N -1.19 0.65 0.00 0.99 7.99 0.69 -4.82 117.00 121.31 1pj4 n LEU 2169Ca 0.18 0.13 0.00 0.00 -0.01 0.00 0.00 56.01 56.31 1pj4 n LEU 2169Cb 0.72 -0.17 0.00 0.00 -0.11 0.00 0.00 43.42 43.86 1pj4 n LEU 2169CO 0.05 -0.00 0.00 0.61 -1.51 0.00 0.00 177.39 176.53 1pj4 n GLY 2170N 1.37 0.09 3.61 -0.72 0.00 -1.19 -4.87 105.19 103.47 1pj4 n GLY 2170Ca 0.03 -1.58 -0.42 0.00 0.00 0.00 0.00 46.02 44.05 1pj4 n GLY 2170CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1pj4 s ASP 2171N -4.00 6.69 -0.06 1.61 -1.08 -1.01 -0.62 116.67 118.20 1pj4 s ASP 2171Ca 0.00 0.61 0.09 0.00 -0.52 0.00 0.00 52.55 52.73 1pj4 s ASP 2171Cb 0.00 -2.46 0.13 0.00 -1.46 0.00 0.00 42.92 39.13 1pj4 s ASP 2171CO 0.00 -0.81 1.04 0.18 0.52 0.00 0.00 175.17 176.10 1pj4 n LEU 2172N 6.66 1.92 0.00 -1.34 4.77 -0.29 -4.60 117.00 124.11 1pj4 n LEU 2172Ca 0.07 -2.31 0.00 0.00 -0.03 0.00 0.00 56.01 53.74 1pj4 n LEU 2172Cb 0.48 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 1pj4 n LEU 2172CO 0.57 0.55 0.00 0.61 -1.33 0.00 0.00 177.39 177.79 1pj4 n GLY 2173N -0.86 1.82 0.32 -0.72 0.00 -1.10 -1.04 105.19 103.61 1pj4 n GLY 2173Ca 0.07 -0.34 0.21 0.00 0.00 0.00 0.00 46.02 45.96 1pj4 n GLY 2173CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1pj4 h VAL 2174N 0.00 0.00 0.00 1.61 2.07 -1.90 -0.62 116.25 117.41 1pj4 h VAL 2174Ca 0.00 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.44 1pj4 h VAL 2174Cb 0.00 1.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 1pj4 h VAL 2174CO 0.00 0.00 0.00 1.88 0.02 0.00 0.00 177.57 179.47 1pj4 h TYR 2175N 0.00 0.00 -0.25 1.57 0.99 -1.38 -3.43 116.97 114.48 1pj4 h TYR 2175Ca 0.00 0.00 -0.52 0.00 2.00 0.00 0.00 58.73 60.21 1pj4 h TYR 2175Cb 0.08 0.00 0.00 0.00 1.00 0.00 0.00 36.73 37.81 1pj4 h TYR 2175CO 0.00 0.00 1.79 0.41 -0.00 0.00 0.00 178.16 180.36 1pj4 n GLY 2176N -0.98 1.94 3.59 3.88 0.00 -0.24 -4.58 105.19 108.79 1pj4 n GLY 2176Ca -0.02 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 44.97 1pj4 n GLY 2176CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pj4 n GLY 2178N 5.10 0.00 0.05 -0.02 0.00 -1.26 -4.10 105.19 104.96 1pj4 n GLY 2178Ca 0.48 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.37 1pj4 n GLY 2178CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1pj4 h ILE 2179N 0.00 1.32 -0.37 -0.61 1.08 -1.90 -1.12 117.51 115.92 1pj4 h ILE 2179Ca 0.00 -0.94 -0.04 0.00 -0.39 0.00 0.00 64.86 63.49 1pj4 h ILE 2179Cb 0.00 1.96 -0.02 0.00 -3.07 0.00 0.00 36.82 35.69 1pj4 h ILE 2179CO 0.00 0.24 0.06 -0.65 -0.69 0.00 0.00 178.15 177.11 1pj4 h PRO 2180N -0.40 0.55 -0.30 2.37 0.11 -1.90 -0.96 132.00 131.47 1pj4 h PRO 2180Ca -0.00 -0.10 -0.07 0.00 0.11 0.00 0.00 66.00 65.94 1pj4 h PRO 2180Cb 0.40 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.41 1pj4 h PRO 2180CO 0.00 0.54 -0.07 0.28 -0.21 0.00 0.00 178.00 178.54 1pj4 h VAL 2181N 0.54 1.28 -0.61 3.15 2.07 -1.89 -2.05 116.25 118.73 1pj4 h VAL 2181Ca 0.12 -1.10 -0.07 0.00 0.82 0.00 0.00 66.70 66.47 1pj4 h VAL 2181Cb 0.26 1.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.38 1pj4 h VAL 2181CO 0.00 0.35 0.11 1.23 0.02 0.00 0.00 177.57 179.29 1pj4 h GLY 2182N 0.35 1.08 0.81 2.17 0.00 -0.92 -2.57 103.07 103.99 1pj4 h GLY 2182Ca 0.08 -0.71 0.02 0.00 0.00 0.00 0.00 47.33 46.72 1pj4 h GLY 2182CO 0.03 0.66 0.03 1.70 0.00 0.00 0.00 176.54 178.96 1pj4 h LYS 2183N 0.91 0.10 0.00 4.80 1.63 -1.10 -2.39 116.57 120.51 1pj4 h LYS 2183Ca 0.19 -0.01 -0.04 0.00 -0.85 0.00 0.00 60.65 59.94 1pj4 h LYS 2183Cb 0.41 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.01 1pj4 h LYS 2183CO 0.01 0.06 -0.20 -0.07 -3.45 0.00 0.00 179.45 175.80 1pj4 h LEU 2184N 0.10 0.00 -0.98 5.20 3.38 -1.31 -1.90 115.31 119.80 1pj4 h LEU 2184Ca 0.08 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 1pj4 h LEU 2184Cb 0.07 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 1pj4 h LEU 2184CO -0.10 0.20 0.33 0.00 0.09 0.00 0.00 178.44 178.97 1pj4 h LEU 2186N 1.05 0.00 -0.25 0.00 3.38 -1.14 0.12 115.31 118.47 1pj4 h LEU 2186Ca 0.25 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.27 1pj4 h LEU 2186Cb 0.14 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 1pj4 h LEU 2186CO -0.03 0.48 -0.02 1.88 0.09 0.00 0.00 178.44 180.84 1pj4 h TYR 2187N 0.00 -0.05 0.00 1.13 -1.99 -0.89 0.25 116.97 115.42 1pj4 h TYR 2187Ca -0.00 0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.73 1pj4 h TYR 2187Cb 1.08 0.06 0.00 0.00 2.00 0.00 0.00 36.73 39.87 1pj4 h TYR 2187CO 0.00 -0.06 -0.06 1.15 -0.00 0.00 0.00 178.16 179.19 1pj4 h THR 2188N 0.05 1.67 -0.83 -2.88 2.02 -1.41 -1.87 112.91 109.67 1pj4 h THR 2188Ca 0.12 -2.05 -0.01 0.00 0.77 0.00 0.00 66.41 65.24 1pj4 h THR 2188Cb 0.17 3.05 -0.04 0.00 -1.74 0.00 0.00 68.15 69.59 1pj4 h THR 2188CO -0.22 0.54 0.47 0.00 0.37 0.00 0.00 175.52 176.67 1pj4 h ALA 2189N 0.14 1.06 0.09 6.16 0.00 -0.71 -1.13 119.26 124.87 1pj4 h ALA 2189Ca -0.01 -0.11 -0.28 0.00 0.00 0.00 0.00 54.91 54.51 1pj4 h ALA 2189Cb 0.92 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1pj4 h ALA 2189CO 0.01 0.55 -1.46 0.00 0.00 0.00 0.00 179.25 178.36 1pj4 n ALA 2191N -3.07 2.34 -1.89 0.00 0.00 -0.72 -4.36 120.51 112.81 1pj4 n ALA 2191Ca -0.28 -0.84 -0.15 0.00 0.00 0.00 0.00 53.44 52.17 1pj4 n ALA 2191Cb 0.86 -0.40 -0.03 0.00 0.00 0.00 0.00 19.45 19.89 1pj4 n ALA 2191CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pj4 n GLY 2192N 0.56 0.56 3.74 0.00 0.00 -0.43 -4.75 105.19 104.87 1pj4 n GLY 2192Ca 0.09 -0.30 -0.41 0.00 0.00 0.00 0.00 46.02 45.39 1pj4 n GLY 2192CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pj4 s ILE 2193N -2.64 3.55 0.10 -0.61 1.01 -1.12 0.64 121.20 122.13 1pj4 s ILE 2193Ca 0.00 1.34 -0.31 0.00 0.00 0.00 0.00 60.65 61.68 1pj4 s ILE 2193Cb 0.00 -3.85 -0.10 0.00 0.01 0.00 0.00 42.46 38.52 1pj4 s ILE 2193CO 0.00 0.23 1.84 -0.13 0.00 0.00 0.00 174.94 176.88 1pj4 s ARG 2194N -0.44 4.14 0.36 2.79 0.52 -1.26 -4.03 118.95 121.03 1pj4 s ARG 2194Ca 0.51 2.58 0.06 0.00 -0.52 0.00 0.00 55.73 58.36 1pj4 s ARG 2194Cb -0.33 -3.70 0.75 0.00 0.52 0.00 0.00 34.95 32.19 1pj4 s ARG 2194CO 0.38 -0.86 1.94 -1.00 0.02 0.00 0.00 175.30 175.78 1pj4 h PRO 2195N 8.96 0.73 0.00 3.54 0.13 -1.95 -0.84 132.00 142.57 1pj4 h PRO 2195Ca -0.46 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1pj4 h PRO 2195Cb 1.22 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.18 1pj4 h PRO 2195CO 0.95 0.48 0.00 -0.40 -0.23 0.00 0.00 178.00 178.80 1pj4 n ASP 2196N -4.49 0.00 -0.92 1.44 5.75 -1.26 -1.95 116.55 115.11 1pj4 n ASP 2196Ca 0.12 -0.06 0.09 0.00 -0.01 0.00 0.00 54.79 54.93 1pj4 n ASP 2196Cb 0.28 -0.26 0.19 0.00 -1.03 0.00 0.00 41.12 40.30 1pj4 n ASP 2196CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1pj4 n ARG 2197N -1.26 2.34 -4.29 0.11 5.12 -0.32 -4.64 116.66 113.73 1pj4 n ARG 2197Ca 0.10 -2.10 -0.32 0.00 -1.93 0.00 0.00 57.85 53.60 1pj4 n ARG 2197Cb 0.15 -1.40 -0.09 0.00 -1.16 0.00 0.00 32.46 29.96 1pj4 n ARG 2197CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1pj4 s LEU 2199N -1.75 0.24 0.16 0.00 2.96 0.69 -4.96 118.68 116.01 1pj4 s LEU 2199Ca 0.21 -0.46 -0.26 0.00 -0.22 0.00 0.00 54.13 53.39 1pj4 s LEU 2199Cb -0.11 -0.11 -0.08 0.00 0.50 0.00 0.00 46.19 46.39 1pj4 s LEU 2199CO 0.12 -0.34 0.81 -2.84 -1.32 0.00 0.00 176.35 172.78 1pj4 s PRO 2200N 2.18 4.61 -0.01 0.98 0.02 -1.26 -2.12 135.00 139.40 1pj4 s PRO 2200Ca 0.03 1.21 0.01 0.00 0.02 0.00 0.00 61.00 62.27 1pj4 s PRO 2200Cb -0.16 -3.29 0.00 0.00 0.02 0.00 0.00 34.50 31.08 1pj4 s PRO 2200CO -0.09 0.50 -0.03 0.08 -0.33 0.00 0.00 177.00 177.13 1pj4 s VAL 2201N -0.93 0.28 -0.14 3.83 1.01 0.20 -0.85 120.40 123.79 1pj4 s VAL 2201Ca 0.37 -0.13 0.01 0.00 0.00 0.00 0.00 61.98 62.24 1pj4 s VAL 2201Cb -0.23 -0.25 0.02 0.00 0.00 0.00 0.00 36.38 35.91 1pj4 s VAL 2201CO 0.27 0.09 -0.18 0.00 0.00 0.00 0.00 175.10 175.28 1pj4 s ILE 2203N 1.15 5.22 -0.36 0.00 -1.09 -0.15 -1.30 121.20 124.67 1pj4 s ILE 2203Ca -0.01 -0.25 -0.11 0.00 -2.23 0.00 0.00 60.65 58.05 1pj4 s ILE 2203Cb -0.14 -3.84 0.02 0.00 -1.58 0.00 0.00 42.46 36.92 1pj4 s ILE 2203CO -0.07 -0.15 0.21 -0.62 -1.23 0.00 0.00 174.94 173.07 1pj4 s ASP 2204N 1.73 5.74 -0.09 3.58 2.15 0.11 -4.35 116.67 125.54 1pj4 s ASP 2204Ca 0.08 -0.85 0.13 0.00 0.43 0.00 0.00 52.55 52.35 1pj4 s ASP 2204Cb -0.17 -2.04 0.20 0.00 -0.30 0.00 0.00 42.92 40.61 1pj4 s ASP 2204CO 0.11 -0.34 1.09 1.33 -0.17 0.00 0.00 175.17 177.20 1pj4 n VAL 2205N 5.02 1.54 0.00 1.11 0.24 -1.26 -0.89 118.33 124.09 1pj4 n VAL 2205Ca -0.12 -1.80 0.00 0.00 -2.04 0.00 0.00 64.34 60.37 1pj4 n VAL 2205Cb 0.47 -0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.84 1pj4 n VAL 2205CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1pj4 n GLY 2206N -1.11 -1.70 3.24 7.63 0.00 -1.26 -1.28 105.19 110.70 1pj4 n GLY 2206Ca 0.11 -2.22 -0.13 0.00 0.00 0.00 0.00 46.02 43.78 1pj4 n GLY 2206CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1pj4 s THR 2207N -0.87 0.05 -2.64 2.61 -1.32 -0.52 -4.51 115.64 108.45 1pj4 s THR 2207Ca 0.00 -0.44 0.24 0.00 -1.21 0.00 0.00 61.69 60.27 1pj4 s THR 2207Cb 0.00 -0.60 0.36 0.00 -1.51 0.00 0.00 72.50 70.74 1pj4 s THR 2207CO 0.00 -0.24 1.38 0.47 -2.21 0.00 0.00 174.62 174.02 1pj4 n ASP 2208N 1.38 3.14 -4.57 8.08 8.00 -1.26 -3.60 116.55 127.71 1pj4 n ASP 2208Ca -0.21 -1.96 -0.42 0.00 0.71 0.00 0.00 54.79 52.91 1pj4 n ASP 2208Cb 0.56 -0.15 -0.03 0.00 -0.02 0.00 0.00 41.12 41.48 1pj4 n ASP 2208CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1pj4 s ASN 2209N -1.68 6.27 0.38 -2.24 3.84 -1.26 -4.88 114.94 115.38 1pj4 s ASN 2209Ca 0.35 0.12 0.07 0.00 0.21 0.00 0.00 52.86 53.61 1pj4 s ASN 2209Cb 0.22 -2.55 0.80 0.00 -0.55 0.00 0.00 41.25 39.16 1pj4 s ASN 2209CO 0.31 -1.62 1.99 0.40 -2.79 0.00 0.00 177.10 175.39 1pj4 h ILE 2210N 6.24 1.04 -0.51 -5.21 1.08 -1.96 -2.33 117.51 115.86 1pj4 h ILE 2210Ca -0.26 -0.23 0.03 0.00 -0.39 0.00 0.00 64.86 64.01 1pj4 h ILE 2210Cb 1.07 0.31 -0.04 0.00 -3.07 0.00 0.00 36.82 35.09 1pj4 h ILE 2210CO 1.19 0.12 0.30 0.00 -0.69 0.00 0.00 178.15 179.07 1pj4 h ALA 2211N 1.65 0.66 -0.08 1.87 0.00 -2.00 -2.70 119.26 118.67 1pj4 h ALA 2211Ca 0.26 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 55.06 1pj4 h ALA 2211Cb 0.18 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1pj4 h ALA 2211CO -0.08 -0.01 -0.44 -0.07 0.00 0.00 0.00 179.25 178.65 1pj4 h LEU 2212N 0.59 0.19 -1.33 0.00 3.38 -1.82 -2.82 115.31 113.50 1pj4 h LEU 2212Ca 0.21 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1pj4 h LEU 2212Cb 0.05 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1pj4 h LEU 2212CO -0.11 0.62 0.00 -0.07 0.09 0.00 0.00 178.44 178.97 1pj4 h LEU 2213N 0.15 0.00 -2.25 1.67 3.38 -1.19 -1.59 115.31 115.48 1pj4 h LEU 2213Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1pj4 h LEU 2213Cb 0.85 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.60 1pj4 h LEU 2213CO 0.07 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.89 1pj4 n LYS 2214N -2.45 1.77 -3.02 1.13 5.02 -1.08 -4.96 118.16 114.58 1pj4 n LYS 2214Ca 0.00 -1.55 -0.42 0.00 -2.02 0.00 0.00 58.31 54.33 1pj4 n LYS 2214Cb 0.15 -1.19 -0.06 0.00 -0.02 0.00 0.00 35.03 33.91 1pj4 n LYS 2214CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1pj4 s ASP 2215N -0.88 6.56 0.17 4.39 -1.08 -0.60 -4.94 116.67 120.29 1pj4 s ASP 2215Ca 0.15 0.46 0.18 0.00 -0.52 0.00 0.00 52.55 52.82 1pj4 s ASP 2215Cb 0.09 -2.37 0.81 0.00 -1.46 0.00 0.00 42.92 39.98 1pj4 s ASP 2215CO 0.12 -0.60 1.55 -0.81 0.52 0.00 0.00 175.17 175.95 1pj4 n PRO 2216N 6.13 0.11 -0.07 4.34 -0.04 -1.26 -1.94 135.00 142.27 1pj4 n PRO 2216Ca 0.02 0.43 0.12 0.00 -0.04 0.00 0.00 63.50 64.03 1pj4 n PRO 2216Cb 0.48 -1.75 0.15 0.00 -0.04 0.00 0.00 33.50 32.34 1pj4 n PRO 2216CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1pj4 n PHE 2217N -1.97 0.18 0.00 0.54 3.72 -1.26 -5.17 117.46 113.50 1pj4 n PHE 2217Ca 0.02 -0.09 0.00 0.00 -0.05 0.00 0.00 57.45 57.33 1pj4 n PHE 2217Cb 0.15 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.69 1pj4 n PHE 2217CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 1pj4 n TYR 2218N 1.39 -1.31 0.00 1.38 -0.00 -0.82 -4.47 117.16 113.33 1pj4 n TYR 2218Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 58.06 1pj4 n TYR 2218Cb 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.94 1pj4 n TYR 2218CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1pj4 n GLY 2220N 0.00 0.00 3.73 2.98 0.00 -1.26 -5.07 105.19 105.57 1pj4 n GLY 2220Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1pj4 n GLY 2220CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pj4 s LEU 2221N 0.00 4.44 -1.26 0.99 1.43 -1.26 -4.94 118.68 118.07 1pj4 s LEU 2221Ca 0.00 2.21 -0.14 0.00 -1.03 0.00 0.00 54.13 55.17 1pj4 s LEU 2221Cb 0.00 -3.60 0.13 0.00 0.03 0.00 0.00 46.19 42.75 1pj4 s LEU 2221CO 0.00 -0.39 1.64 -1.22 0.23 0.00 0.00 176.35 176.61 1pj4 n TYR 2222N 2.71 4.50 -3.48 0.29 4.02 -1.26 -4.56 117.16 119.37 1pj4 n TYR 2222Ca 0.05 -3.11 -0.12 0.00 -0.01 0.00 0.00 57.90 54.70 1pj4 n TYR 2222Cb 0.45 -2.30 -0.03 0.00 -0.02 0.00 0.00 39.34 37.43 1pj4 n TYR 2222CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 176.86 176.99 1pj4 s GLN 2223N 2.23 1.20 0.84 -0.72 -2.07 -1.26 -5.09 119.66 114.78 1pj4 s GLN 2223Ca 0.46 -0.43 -0.11 0.00 -1.82 0.00 0.00 55.36 53.45 1pj4 s GLN 2223Cb 0.02 0.55 0.10 0.00 -1.09 0.00 0.00 33.01 32.58 1pj4 s GLN 2223CO 0.02 -0.49 1.09 0.15 -1.32 0.00 0.00 175.29 174.73 1pj4 s LYS 2224N -3.41 1.69 0.23 9.60 -0.14 -1.25 -1.44 119.74 125.02 1pj4 s LYS 2224Ca -0.00 0.88 -0.31 0.00 -1.36 0.00 0.00 55.97 55.18 1pj4 s LYS 2224Cb -0.00 -1.85 -0.11 0.00 -1.68 0.00 0.00 37.83 34.18 1pj4 s LYS 2224CO -0.10 -1.96 1.57 1.03 -0.76 0.00 0.00 175.35 175.13 1pj4 s ARG 2225N -4.96 4.18 -0.45 1.68 0.52 -1.24 -4.30 118.95 114.39 1pj4 s ARG 2225Ca 0.62 2.45 -0.27 0.00 -0.52 0.00 0.00 55.73 58.02 1pj4 s ARG 2225Cb -0.17 -3.09 0.03 0.00 0.52 0.00 0.00 34.95 32.24 1pj4 s ARG 2225CO 0.56 -0.59 1.01 0.34 0.02 0.00 0.00 175.30 176.64 1pj4 s ASP 2226N 0.74 6.59 -0.08 0.23 -1.08 -0.41 -4.88 116.67 117.79 1pj4 s ASP 2226Ca 0.66 0.35 0.17 0.00 -0.52 0.00 0.00 52.55 53.20 1pj4 s ASP 2226Cb -0.45 -2.49 0.58 0.00 -1.46 0.00 0.00 42.92 39.09 1pj4 s ASP 2226CO 0.40 -1.10 1.49 0.54 0.52 0.00 0.00 175.17 177.03 1pj4 n ARG 2227N 7.36 3.25 -0.95 4.34 1.74 -1.26 -4.58 116.66 126.56 1pj4 n ARG 2227Ca 0.09 -2.64 -0.13 0.00 -0.77 0.00 0.00 57.85 54.40 1pj4 n ARG 2227Cb 0.49 -1.68 0.09 0.00 -1.02 0.00 0.00 32.46 30.34 1pj4 n ARG 2227CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1pj4 n THR 2228N 0.83 0.00 0.33 0.55 -2.24 -1.26 -4.89 114.28 107.60 1pj4 n THR 2228Ca 0.21 -0.49 0.22 0.00 -2.27 0.00 0.00 64.05 61.73 1pj4 n THR 2228Cb 0.73 -1.70 1.12 0.00 -2.10 0.00 0.00 70.33 68.38 1pj4 n THR 2228CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 1pj4 h GLN 2229N 0.00 0.00 0.00 -0.78 5.75 -2.01 -1.53 115.11 116.55 1pj4 h GLN 2229Ca -0.19 0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.28 1pj4 h GLN 2229Cb 0.55 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.09 1pj4 h GLN 2229CO 0.14 0.00 -0.15 1.96 -2.65 0.00 0.00 178.83 178.14 1pj4 h GLN 2230N 0.00 0.00 0.02 1.69 4.20 -1.93 0.10 115.11 119.19 1pj4 h GLN 2230Ca 0.00 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 1pj4 h GLN 2230Cb 0.10 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.88 1pj4 h GLN 2230CO 0.00 0.15 -0.01 -0.92 -0.67 0.00 0.00 178.83 177.37 1pj4 h TYR 2231N 0.00 -0.03 -0.74 2.96 3.20 -1.52 -0.25 116.97 120.60 1pj4 h TYR 2231Ca -0.00 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.83 1pj4 h TYR 2231Cb 0.28 0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.53 1pj4 h TYR 2231CO 0.00 0.31 0.32 -0.44 -1.64 0.00 0.00 178.16 176.71 1pj4 h ASP 2232N -0.36 0.98 -0.67 -2.11 3.45 -1.51 -1.42 116.42 114.78 1pj4 h ASP 2232Ca -0.00 -0.13 -0.05 0.00 0.43 0.00 0.00 57.03 57.28 1pj4 h ASP 2232Cb 0.35 -0.25 -0.03 0.00 -0.56 0.00 0.00 39.33 38.83 1pj4 h ASP 2232CO 0.00 0.85 0.23 0.44 -1.57 0.00 0.00 179.24 179.19 1pj4 h ASP 2233N 1.05 0.98 -0.05 6.45 3.45 -0.67 -1.51 116.42 126.12 1pj4 h ASP 2233Ca 0.25 -0.17 -0.00 0.00 0.43 0.00 0.00 57.03 57.54 1pj4 h ASP 2233Cb 0.16 -0.26 -0.00 0.00 -0.56 0.00 0.00 39.33 38.67 1pj4 h ASP 2233CO -0.03 0.91 0.01 0.25 -1.57 0.00 0.00 179.24 178.81 1pj4 h LEU 2234N 1.02 0.07 -1.43 1.55 5.85 -0.40 0.43 115.31 122.40 1pj4 h LEU 2234Ca 0.23 -0.22 0.03 0.00 0.84 0.00 0.00 57.88 58.76 1pj4 h LEU 2234Cb 0.27 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.25 1pj4 h LEU 2234CO -0.01 0.27 0.42 0.40 -0.34 0.00 0.00 178.44 179.18 1pj4 h ILE 2235N -0.13 1.08 -0.28 4.05 1.08 -1.12 0.15 117.51 122.34 1pj4 h ILE 2235Ca 0.01 -0.25 -0.11 0.00 -0.39 0.00 0.00 64.86 64.12 1pj4 h ILE 2235Cb 0.23 0.28 -0.00 0.00 -3.07 0.00 0.00 36.82 34.25 1pj4 h ILE 2235CO -0.00 0.14 -0.24 -0.78 -0.69 0.00 0.00 178.15 176.57 1pj4 h ASP 2236N 0.74 0.70 -0.77 1.72 1.82 -0.96 -2.95 116.42 116.72 1pj4 h ASP 2236Ca 0.25 -0.46 -0.01 0.00 -0.39 0.00 0.00 57.03 56.43 1pj4 h ASP 2236Cb 0.09 -0.20 -0.04 0.00 0.68 0.00 0.00 39.33 39.86 1pj4 h ASP 2236CO -0.07 1.01 0.46 -0.08 -1.61 0.00 0.00 179.24 178.95 1pj4 h GLU 2237N 0.40 1.05 -0.64 0.28 4.81 -0.04 -1.96 114.58 118.48 1pj4 h GLU 2237Ca 0.05 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1pj4 h GLU 2237Cb 0.80 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.96 1pj4 h GLU 2237CO 0.06 0.75 0.00 0.34 -0.73 0.00 0.00 179.01 179.43 1pj4 n PHE 2238N -4.37 0.00 0.00 0.92 7.35 -0.04 -0.72 117.46 120.59 1pj4 n PHE 2238Ca 0.08 -0.03 0.00 0.00 -0.76 0.00 0.00 57.45 56.74 1pj4 n PHE 2238Cb 0.07 -0.05 0.00 0.00 0.35 0.00 0.00 39.48 39.85 1pj4 n PHE 2238CO 0.00 0.00 0.00 1.17 -0.76 0.00 0.00 176.76 177.17 1pj4 n LYS 2240N 0.52 0.00 -0.15 -4.13 4.81 -0.74 -1.11 118.16 117.36 1pj4 n LYS 2240Ca 0.00 0.00 -0.08 0.00 -0.87 0.00 0.00 58.31 57.36 1pj4 n LYS 2240Cb 0.07 0.00 0.01 0.00 0.02 0.00 0.00 35.03 35.13 1pj4 n LYS 2240CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1pj4 h ALA 2241N 0.00 0.58 -0.06 3.14 0.00 -1.18 0.61 119.26 122.35 1pj4 h ALA 2241Ca 0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1pj4 h ALA 2241Cb 0.00 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 1pj4 h ALA 2241CO 0.00 0.06 0.03 0.82 0.00 0.00 0.00 179.25 180.16 1pj4 h ILE 2242N 0.61 1.12 -0.01 0.00 1.08 -1.37 -2.76 117.51 116.17 1pj4 h ILE 2242Ca 0.16 -0.34 -0.09 0.00 -0.39 0.00 0.00 64.86 64.20 1pj4 h ILE 2242Cb -0.02 1.24 -0.01 0.00 -3.07 0.00 0.00 36.82 34.95 1pj4 h ILE 2242CO -0.03 0.10 -0.44 0.71 -0.69 0.00 0.00 178.15 177.80 1pj4 h THR 2243N -0.04 1.32 -0.03 -0.27 1.35 -1.73 -1.17 112.91 112.34 1pj4 h THR 2243Ca 0.02 -1.51 -0.10 0.00 -0.55 0.00 0.00 66.41 64.27 1pj4 h THR 2243Cb 0.13 1.80 -0.01 0.00 -1.73 0.00 0.00 68.15 68.34 1pj4 h THR 2243CO -0.00 0.43 -0.47 0.44 -0.25 0.00 0.00 175.52 175.68 1pj4 h ASP 2244N 0.03 0.08 0.12 5.36 3.32 -0.78 0.11 116.42 124.66 1pj4 h ASP 2244Ca -0.00 -0.03 -0.36 0.00 0.02 0.00 0.00 57.03 56.66 1pj4 h ASP 2244Cb 0.78 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 40.29 1pj4 h ASP 2244CO 0.06 0.54 -1.95 -1.14 -1.72 0.00 0.00 179.24 175.03 1pj4 n ARG 2245N -3.98 0.75 -0.00 3.56 0.63 -1.05 -4.61 116.66 111.96 1pj4 n ARG 2245Ca -0.02 0.28 0.09 0.00 -0.92 0.00 0.00 57.85 57.28 1pj4 n ARG 2245Cb 0.50 -1.72 -0.12 0.00 0.45 0.00 0.00 32.46 31.57 1pj4 n ARG 2245CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 1pj4 n TYR 2246N -3.54 0.00 0.00 -0.14 0.53 -0.46 -5.04 117.16 108.51 1pj4 n TYR 2246Ca -0.32 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.56 1pj4 n TYR 2246Cb 1.03 -0.18 0.00 0.00 -1.03 0.00 0.00 39.34 39.16 1pj4 n TYR 2246CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1pj4 n GLY 2247N 1.44 3.68 0.25 2.72 0.00 0.03 -4.79 105.19 108.52 1pj4 n GLY 2247Ca 0.00 -1.65 0.16 0.00 0.00 0.00 0.00 46.02 44.54 1pj4 n GLY 2247CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1pj4 h ARG 2248N 0.00 0.00 -0.67 1.61 9.65 -1.93 -2.95 114.38 120.09 1pj4 h ARG 2248Ca 0.00 0.00 -0.12 0.00 -1.10 0.00 0.00 59.98 58.76 1pj4 h ARG 2248Cb 0.00 0.00 -0.07 0.00 -1.39 0.00 0.00 29.97 28.51 1pj4 h ARG 2248CO 0.00 0.00 0.15 0.27 2.80 0.00 0.00 179.97 183.19 1pj4 n ASN 2249N -2.96 5.30 -4.70 -3.80 6.94 -1.26 -4.01 115.26 110.76 1pj4 n ASN 2249Ca 0.01 -3.09 -0.42 0.00 -0.02 0.00 0.00 54.58 51.06 1pj4 n ASN 2249Cb 0.33 -0.72 -0.03 0.00 -2.36 0.00 0.00 39.78 37.00 1pj4 n ASN 2249CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 1pj4 s THR 2250N -2.90 3.70 -0.06 5.53 2.01 -1.11 -4.87 115.64 117.94 1pj4 s THR 2250Ca 0.55 1.17 -0.30 0.00 0.31 0.00 0.00 61.69 63.43 1pj4 s THR 2250Cb 0.43 -3.75 -0.04 0.00 0.01 0.00 0.00 72.50 69.14 1pj4 s THR 2250CO 0.15 0.05 1.47 -0.22 -0.69 0.00 0.00 174.62 175.38 1pj4 s LEU 2251N 1.60 4.28 -0.28 4.42 0.20 -0.65 -4.34 118.68 123.91 1pj4 s LEU 2251Ca 0.62 2.06 0.01 0.00 0.69 0.00 0.00 54.13 57.52 1pj4 s LEU 2251Cb -0.32 -3.54 0.06 0.00 -0.43 0.00 0.00 46.19 41.96 1pj4 s LEU 2251CO 0.28 -0.82 -0.05 -0.63 -0.29 0.00 0.00 176.35 174.84 1pj4 s ILE 2252N 3.37 2.46 -0.36 6.68 1.01 -0.27 -0.50 121.20 133.58 1pj4 s ILE 2252Ca 0.66 -1.63 -0.14 0.00 0.00 0.00 0.00 60.65 59.53 1pj4 s ILE 2252Cb -0.30 -2.48 -0.01 0.00 0.01 0.00 0.00 42.46 39.69 1pj4 s ILE 2252CO 0.25 -0.12 0.30 -1.58 0.00 0.00 0.00 174.94 173.78 1pj4 s GLN 2253N 1.13 3.39 0.02 2.79 0.74 0.60 -2.44 119.66 125.89 1pj4 s GLN 2253Ca -0.06 -0.66 -0.29 0.00 0.05 0.00 0.00 55.36 54.40 1pj4 s GLN 2253Cb -0.20 -3.85 -0.04 0.00 1.10 0.00 0.00 33.01 30.02 1pj4 s GLN 2253CO -0.04 -0.55 0.93 -0.06 -0.55 0.00 0.00 175.29 175.02 1pj4 s PHE 2254N 1.82 3.69 -0.05 1.67 0.40 -0.24 -1.56 117.98 123.71 1pj4 s PHE 2254Ca 0.08 1.66 0.01 0.00 -0.60 0.00 0.00 56.93 58.07 1pj4 s PHE 2254Cb -0.17 -3.05 0.02 0.00 0.51 0.00 0.00 43.02 40.33 1pj4 s PHE 2254CO 0.11 0.07 -0.05 -2.00 0.70 0.00 0.00 175.22 174.05 1pj4 s GLU 2255N 0.68 0.88 -1.28 0.44 2.56 0.47 -2.01 118.70 120.44 1pj4 s GLU 2255Ca 0.48 -0.11 -0.00 0.00 0.00 0.00 0.00 54.97 55.34 1pj4 s GLU 2255Cb -0.21 -0.91 0.00 0.00 2.00 0.00 0.00 34.13 35.01 1pj4 s GLU 2255CO 0.27 -0.10 0.78 -0.25 -0.56 0.00 0.00 175.26 175.40 1pj4 n ASP 2256N 4.16 -1.42 -4.94 -1.70 9.92 -1.26 -4.02 116.55 117.30 1pj4 n ASP 2256Ca -0.23 -0.76 -0.25 0.00 -0.53 0.00 0.00 54.79 53.02 1pj4 n ASP 2256Cb 0.51 -4.36 -0.02 0.00 -0.64 0.00 0.00 41.12 36.61 1pj4 n ASP 2256CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 1pj4 s PHE 2257N -3.58 3.48 1.03 1.24 0.40 -1.26 -2.39 117.98 116.89 1pj4 s PHE 2257Ca 0.00 0.25 -0.11 0.00 -0.60 0.00 0.00 56.93 56.48 1pj4 s PHE 2257Cb -0.00 -1.80 0.21 0.00 0.51 0.00 0.00 43.02 41.94 1pj4 s PHE 2257CO 0.79 0.31 1.09 0.41 0.70 0.00 0.00 175.22 178.51 1pj4 n GLY 2258N -1.24 -1.07 0.22 4.36 0.00 -1.26 -4.55 105.19 101.65 1pj4 n GLY 2258Ca -0.06 -0.91 -0.10 0.00 0.00 0.00 0.00 46.02 44.95 1pj4 n GLY 2258CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1pj4 h ASN 2259N -2.24 -0.55 0.19 1.61 -0.73 -1.97 -0.92 115.58 110.97 1pj4 h ASN 2259Ca -0.51 0.09 -0.01 0.00 1.87 0.00 0.00 56.30 57.74 1pj4 h ASN 2259Cb 1.30 0.25 0.00 0.00 0.27 0.00 0.00 38.32 40.13 1pj4 h ASN 2259CO 0.44 -0.24 -0.09 -0.74 -0.37 0.00 0.00 177.43 176.43 1pj4 h HIS 2260N -0.26 -0.24 -0.74 0.67 2.76 -2.02 -3.15 115.15 112.18 1pj4 h HIS 2260Ca 0.08 -0.01 0.07 0.00 -2.20 0.00 0.00 60.37 58.32 1pj4 h HIS 2260Cb 0.37 0.08 -0.05 0.00 1.55 0.00 0.00 27.41 29.36 1pj4 h HIS 2260CO -0.27 0.03 0.48 -0.91 -1.30 0.00 0.00 177.93 175.97 1pj4 h ASN 2261N -0.49 0.66 -0.04 3.26 -0.26 -1.92 -2.72 115.58 114.07 1pj4 h ASN 2261Ca -0.03 0.01 0.02 0.00 -0.56 0.00 0.00 56.30 55.74 1pj4 h ASN 2261Cb 0.37 -0.13 -0.03 0.00 -1.06 0.00 0.00 38.32 37.47 1pj4 h ASN 2261CO 0.04 0.42 -0.09 0.00 -1.06 0.00 0.00 177.43 176.74 1pj4 h ALA 2262N 1.61 -0.07 -0.04 -0.83 0.00 -1.12 -0.23 119.26 118.58 1pj4 h ALA 2262Ca 0.32 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 1pj4 h ALA 2262Cb 0.30 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 1pj4 h ALA 2262CO -0.11 -0.58 -0.01 0.74 0.00 0.00 0.00 179.25 179.29 1pj4 h PHE 2263N -0.15 0.09 -0.69 0.00 -1.00 -1.54 -2.05 116.94 111.61 1pj4 h PHE 2263Ca 0.05 -0.02 0.05 0.00 2.81 0.00 0.00 57.97 60.86 1pj4 h PHE 2263Cb 0.21 -0.02 -0.04 0.00 3.61 0.00 0.00 35.95 39.71 1pj4 h PHE 2263CO -0.18 0.44 0.45 -0.09 -1.61 0.00 0.00 178.31 177.33 1pj4 h ARG 2264N -0.29 0.73 0.10 1.51 2.43 -1.42 0.87 114.38 118.31 1pj4 h ARG 2264Ca 0.01 -0.04 -0.27 0.00 -0.81 0.00 0.00 59.98 58.86 1pj4 h ARG 2264Cb 0.41 -0.16 0.01 0.00 -0.42 0.00 0.00 29.97 29.81 1pj4 h ARG 2264CO 0.00 0.48 -1.18 0.74 -1.51 0.00 0.00 179.97 178.50 1pj4 h PHE 2265N 0.75 0.69 0.12 2.20 0.05 -1.03 -1.47 116.94 118.25 1pj4 h PHE 2265Ca 0.29 -0.45 -0.01 0.00 3.82 0.00 0.00 57.97 61.62 1pj4 h PHE 2265Cb 0.20 -0.05 0.00 0.00 2.00 0.00 0.00 35.95 38.10 1pj4 h PHE 2265CO -0.00 1.32 -0.06 1.25 -0.18 0.00 0.00 178.31 180.64 1pj4 h LEU 2266N 0.17 -0.14 -0.65 1.54 5.85 -0.68 -0.83 115.31 120.58 1pj4 h LEU 2266Ca -0.14 -0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.52 1pj4 h LEU 2266Cb 1.87 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 42.90 1pj4 h LEU 2266CO 0.21 -0.03 0.42 -0.09 -0.34 0.00 0.00 178.44 178.61 1pj4 h ARG 2267N -0.24 0.85 -0.10 1.25 2.43 -0.91 0.12 114.38 117.79 1pj4 h ARG 2267Ca -0.02 -0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 59.01 1pj4 h ARG 2267Cb 0.19 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 1pj4 h ARG 2267CO 0.03 0.57 -0.36 -0.22 -1.51 0.00 0.00 179.97 178.48 1pj4 h LYS 2268N 0.88 0.19 0.00 0.20 3.64 -1.09 -3.36 116.57 117.03 1pj4 h LYS 2268Ca 0.24 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 1pj4 h LYS 2268Cb -0.09 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.72 1pj4 h LYS 2268CO -0.05 0.53 -1.07 0.66 -2.27 0.00 0.00 179.45 177.25 1pj4 n TYR 2269N -4.07 0.00 -0.04 1.91 4.02 -0.33 -4.63 117.16 114.01 1pj4 n TYR 2269Ca -0.01 0.00 0.19 0.00 -0.01 0.00 0.00 57.90 58.06 1pj4 n TYR 2269Cb 0.43 -0.14 0.64 0.00 -0.02 0.00 0.00 39.34 40.25 1pj4 n TYR 2269CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 176.86 175.92 1pj4 h ARG 2270N 0.00 0.11 0.00 -0.72 0.11 -0.90 0.80 114.38 113.78 1pj4 h ARG 2270Ca 0.00 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.07 1pj4 h ARG 2270Cb 0.38 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 31.43 1pj4 h ARG 2270CO 0.00 0.07 -0.82 0.39 0.10 0.00 0.00 179.97 179.71 1pj4 n GLU 2271N -4.40 0.07 -0.07 0.08 -0.58 -1.26 -4.33 120.64 110.14 1pj4 n GLU 2271Ca 0.11 -0.00 -0.05 0.00 -0.42 0.00 0.00 57.16 56.79 1pj4 n GLU 2271Cb 0.58 -1.52 -0.13 0.00 -0.57 0.00 0.00 31.44 29.80 1pj4 n GLU 2271CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1pj4 n LYS 2272N -1.61 1.17 -4.45 3.49 4.81 -0.47 -5.02 118.16 116.09 1pj4 n LYS 2272Ca 0.04 -0.03 -0.22 0.00 -0.87 0.00 0.00 58.31 57.22 1pj4 n LYS 2272Cb 0.36 -1.43 -0.09 0.00 0.02 0.00 0.00 35.03 33.89 1pj4 n LYS 2272CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 1pj4 s TYR 2273N -2.53 1.78 -0.82 5.64 1.51 0.15 -5.07 117.35 118.01 1pj4 s TYR 2273Ca -0.08 -1.20 -0.18 0.00 -1.01 0.00 0.00 57.07 54.60 1pj4 s TYR 2273Cb 0.06 -1.12 0.14 0.00 -0.11 0.00 0.00 41.96 40.93 1pj4 s TYR 2273CO 0.69 -0.25 0.96 0.00 -1.11 0.00 0.00 175.55 175.84 1pj4 s THR 2275N 2.35 0.12 0.14 0.00 -1.32 -1.26 -1.12 115.64 114.56 1pj4 s THR 2275Ca 0.25 -1.00 -0.18 0.00 -1.21 0.00 0.00 61.69 59.54 1pj4 s THR 2275Cb -0.11 -1.03 0.04 0.00 -1.51 0.00 0.00 72.50 69.90 1pj4 s THR 2275CO -0.04 -0.55 0.47 0.72 -2.21 0.00 0.00 174.62 173.01 1pj4 s PHE 2276N -2.91 -0.29 -0.23 9.09 -0.12 -1.02 -4.53 117.98 117.97 1pj4 s PHE 2276Ca -0.02 -0.01 -0.04 0.00 -0.05 0.00 0.00 56.93 56.81 1pj4 s PHE 2276Cb 0.01 0.36 -0.01 0.00 -0.63 0.00 0.00 43.02 42.75 1pj4 s PHE 2276CO -0.06 -0.77 -0.02 1.21 -0.05 0.00 0.00 175.22 175.53 1pj4 s ASN 2277N -2.80 4.46 0.30 1.98 3.84 -1.26 -1.07 114.94 120.38 1pj4 s ASN 2277Ca 0.03 -0.40 -0.01 0.00 0.21 0.00 0.00 52.86 52.70 1pj4 s ASN 2277Cb 0.01 -1.77 0.45 0.00 -0.55 0.00 0.00 41.25 39.39 1pj4 s ASN 2277CO -0.11 -0.03 1.89 -0.78 -2.79 0.00 0.00 177.10 175.28 1pj4 h ASP 2278N 8.13 0.80 1.28 -4.21 3.58 -1.76 0.48 116.42 124.72 1pj4 h ASP 2278Ca -0.40 -0.09 -0.04 0.00 0.42 0.00 0.00 57.03 56.92 1pj4 h ASP 2278Cb 1.16 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 42.00 1pj4 h ASP 2278CO 0.60 0.70 -0.17 0.44 -2.88 0.00 0.00 179.24 177.93 1pj4 h ASP 2279N 0.88 0.00 0.00 2.28 3.32 -1.95 -0.30 116.42 120.65 1pj4 h ASP 2279Ca 0.21 0.00 -0.41 0.00 0.02 0.00 0.00 57.03 56.85 1pj4 h ASP 2279Cb 0.13 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.62 1pj4 h ASP 2279CO -0.02 0.17 -2.31 -0.38 -1.72 0.00 0.00 179.24 174.98 1pj4 n ILE 2280N -3.23 1.53 -0.04 0.35 5.41 -1.09 -3.55 119.36 118.73 1pj4 n ILE 2280Ca 0.01 -0.31 -0.21 0.00 1.00 0.00 0.00 62.75 63.24 1pj4 n ILE 2280Cb 0.48 -1.93 -0.13 0.00 -0.71 0.00 0.00 39.64 37.35 1pj4 n ILE 2280CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1pj4 n GLN 2281N -4.29 0.70 -0.07 0.38 6.02 0.14 -3.23 117.38 117.04 1pj4 n GLN 2281Ca -0.50 0.31 -0.12 0.00 -0.01 0.00 0.00 57.00 56.68 1pj4 n GLN 2281Cb 0.84 -1.68 -0.05 0.00 1.02 0.00 0.00 30.24 30.37 1pj4 n GLN 2281CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 1pj4 h GLY 2282N 0.74 0.39 1.43 1.08 0.00 -1.23 -1.12 103.07 104.36 1pj4 h GLY 2282Ca -0.44 -0.29 -0.07 0.00 0.00 0.00 0.00 47.33 46.53 1pj4 h GLY 2282CO -0.01 0.27 -0.01 -0.84 0.00 0.00 0.00 176.54 175.94 1pj4 h THR 2283N 0.12 1.23 -0.55 4.70 2.02 -1.33 -2.32 112.91 116.78 1pj4 h THR 2283Ca 0.06 -0.95 0.03 0.00 0.77 0.00 0.00 66.41 66.31 1pj4 h THR 2283Cb 0.40 0.92 -0.04 0.00 -1.74 0.00 0.00 68.15 67.70 1pj4 h THR 2283CO 0.01 0.33 0.33 0.00 0.37 0.00 0.00 175.52 176.56 1pj4 h ALA 2284N 1.33 0.71 -0.33 6.16 0.00 -1.47 -1.54 119.26 124.12 1pj4 h ALA 2284Ca 0.13 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.90 1pj4 h ALA 2284Cb 0.43 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1pj4 h ALA 2284CO 0.02 0.05 -0.31 0.00 0.00 0.00 0.00 179.25 179.01 1pj4 h ALA 2285N 1.24 0.84 -0.21 0.00 0.00 -0.74 -2.04 119.26 118.35 1pj4 h ALA 2285Ca 0.22 -0.40 -0.19 0.00 0.00 0.00 0.00 54.91 54.54 1pj4 h ALA 2285Cb 0.03 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1pj4 h ALA 2285CO -0.10 0.64 -0.63 0.28 0.00 0.00 0.00 179.25 179.44 1pj4 h VAL 2286N 0.60 1.30 -0.05 0.00 2.07 -1.26 -2.10 116.25 116.82 1pj4 h VAL 2286Ca 0.07 -1.85 -0.00 0.00 0.82 0.00 0.00 66.70 65.74 1pj4 h VAL 2286Cb 0.82 1.80 -0.00 0.00 -1.52 0.00 0.00 31.29 32.38 1pj4 h VAL 2286CO 0.07 0.59 0.02 0.00 0.02 0.00 0.00 177.57 178.27 1pj4 h ALA 2287N 0.75 0.06 -0.49 1.67 0.00 -1.24 -2.15 119.26 117.86 1pj4 h ALA 2287Ca -0.01 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 54.92 1pj4 h ALA 2287Cb 1.22 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.92 1pj4 h ALA 2287CO 0.13 -0.38 0.10 1.25 0.00 0.00 0.00 179.25 180.35 1pj4 h LEU 2288N -0.04 0.00 -1.48 0.00 5.85 -1.35 0.77 115.31 119.07 1pj4 h LEU 2288Ca 0.02 0.09 0.14 0.00 0.84 0.00 0.00 57.88 58.96 1pj4 h LEU 2288Cb 0.11 0.12 -0.06 0.00 0.37 0.00 0.00 40.66 41.21 1pj4 h LEU 2288CO -0.00 0.03 0.52 0.00 -0.34 0.00 0.00 178.44 178.65 1pj4 h ALA 2289N 1.38 2.00 -0.24 1.25 0.00 -1.07 0.80 119.26 123.38 1pj4 h ALA 2289Ca 0.25 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 55.03 1pj4 h ALA 2289Cb 0.33 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1pj4 h ALA 2289CO -0.32 -0.21 -0.37 0.78 0.00 0.00 0.00 179.25 179.13 1pj4 h GLY 2290N 0.52 0.73 1.22 0.00 0.00 -0.25 -2.48 103.07 102.81 1pj4 h GLY 2290Ca 0.39 -0.82 -0.04 0.00 0.00 0.00 0.00 47.33 46.86 1pj4 h GLY 2290CO -0.14 0.74 0.25 1.41 0.00 0.00 0.00 176.54 178.80 1pj4 h LEU 2291N 0.38 0.91 -0.71 3.11 4.07 0.10 -0.42 115.31 122.75 1pj4 h LEU 2291Ca 0.02 -0.14 -0.11 0.00 0.08 0.00 0.00 57.88 57.74 1pj4 h LEU 2291Cb 0.96 -0.24 -0.02 0.00 1.08 0.00 0.00 40.66 42.45 1pj4 h LEU 2291CO 0.08 0.82 -0.19 -0.07 -1.08 0.00 0.00 178.44 178.00 1pj4 h LEU 2292N 0.97 0.79 -0.33 1.67 4.07 -0.87 -0.81 115.31 120.79 1pj4 h LEU 2292Ca 0.22 -0.27 -0.09 0.00 0.08 0.00 0.00 57.88 57.82 1pj4 h LEU 2292Cb 0.21 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 41.72 1pj4 h LEU 2292CO -0.02 0.97 -0.15 0.00 -1.08 0.00 0.00 178.44 178.16 1pj4 h ALA 2293N 1.09 0.47 -0.12 1.53 0.00 -1.07 -2.60 119.26 118.55 1pj4 h ALA 2293Ca 0.10 -0.34 0.02 0.00 0.00 0.00 0.00 54.91 54.69 1pj4 h ALA 2293Cb 0.70 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1pj4 h ALA 2293CO 0.05 0.37 0.02 0.00 0.00 0.00 0.00 179.25 179.69 1pj4 h ALA 2294N 0.78 0.12 -0.12 0.00 0.00 -0.88 -0.62 119.26 118.53 1pj4 h ALA 2294Ca 0.07 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.04 1pj4 h ALA 2294Cb 0.69 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 1pj4 h ALA 2294CO 0.05 -0.44 0.15 0.37 0.00 0.00 0.00 179.25 179.38 1pj4 h GLN 2295N 0.07 0.00 0.00 0.00 5.75 -1.10 0.19 115.11 120.02 1pj4 h GLN 2295Ca 0.06 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.56 1pj4 h GLN 2295Cb 0.05 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.60 1pj4 h GLN 2295CO -0.08 0.00 0.00 -0.22 -2.65 0.00 0.00 178.83 175.88 1pj4 h LYS 2296N 0.00 0.00 0.00 1.69 3.64 -0.70 0.23 116.57 121.42 1pj4 h LYS 2296Ca 0.06 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1pj4 h LYS 2296Cb 0.36 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 1pj4 h LYS 2296CO -0.00 0.00 -1.45 1.33 -2.27 0.00 0.00 179.45 177.06 1pj4 n VAL 2297N -3.05 0.00 -0.04 2.00 0.24 0.51 -4.65 118.33 113.34 1pj4 n VAL 2297Ca 0.01 -0.25 -0.18 0.00 -2.04 0.00 0.00 64.34 61.88 1pj4 n VAL 2297Cb 0.30 0.29 -0.14 0.00 -1.47 0.00 0.00 33.84 32.83 1pj4 n VAL 2297CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 1pj4 n ILE 2298N -1.85 1.65 -3.78 1.34 5.41 -0.20 -5.01 119.36 116.91 1pj4 n ILE 2298Ca -0.02 -0.67 -0.29 0.00 1.00 0.00 0.00 62.75 62.77 1pj4 n ILE 2298Cb 0.28 -1.45 0.02 0.00 -0.71 0.00 0.00 39.64 37.78 1pj4 n ILE 2298CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 1pj4 n SER 2299N -3.30 -3.31 -4.77 4.38 7.64 0.78 -4.93 113.62 110.11 1pj4 n SER 2299Ca -0.34 -1.00 -0.38 0.00 1.01 0.00 0.00 58.87 58.16 1pj4 n SER 2299Cb 1.04 -3.29 -0.06 0.00 -1.01 0.00 0.00 64.21 60.89 1pj4 n SER 2299CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1pj4 s LYS 2300N -6.20 4.15 -0.07 1.43 2.20 -1.26 -5.01 119.74 114.97 1pj4 s LYS 2300Ca 0.28 0.40 -0.36 0.00 -0.36 0.00 0.00 55.97 55.93 1pj4 s LYS 2300Cb -0.10 -3.34 -0.14 0.00 -1.51 0.00 0.00 37.83 32.74 1pj4 s LYS 2300CO 0.87 0.41 1.72 -2.30 -0.36 0.00 0.00 175.35 175.69 1pj4 n PRO 2301N 2.80 1.77 -0.08 4.03 -0.02 -1.26 -4.80 135.00 137.44 1pj4 n PRO 2301Ca -0.11 0.65 0.25 0.00 -2.02 0.00 0.00 63.50 62.27 1pj4 n PRO 2301Cb 0.52 -2.41 0.59 0.00 -0.02 0.00 0.00 33.50 32.18 1pj4 n PRO 2301CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1pj4 h ILE 2302N 4.77 0.17 0.00 4.25 2.10 -1.99 0.71 117.51 127.52 1pj4 h ILE 2302Ca -0.47 0.00 -0.06 0.00 1.08 0.00 0.00 64.86 65.40 1pj4 h ILE 2302Cb 1.29 0.30 -0.01 0.00 -1.09 0.00 0.00 36.82 37.31 1pj4 h ILE 2302CO 0.92 0.00 -0.31 0.77 -1.08 0.00 0.00 178.15 178.45 1pj4 h SER 2303N 0.00 0.00 -0.49 2.19 4.64 -2.01 -3.23 113.55 114.64 1pj4 h SER 2303Ca 0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.68 1pj4 h SER 2303Cb 2.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.18 1pj4 h SER 2303CO -0.00 0.31 0.00 -0.62 -0.87 0.00 0.00 176.83 175.64 1pj4 n GLU 2304N -3.21 2.63 -2.84 4.77 1.02 0.25 -4.91 120.64 118.34 1pj4 n GLU 2304Ca 0.02 -1.97 -0.41 0.00 -0.02 0.00 0.00 57.16 54.78 1pj4 n GLU 2304Cb 0.62 -1.58 -0.04 0.00 -0.02 0.00 0.00 31.44 30.42 1pj4 n GLU 2304CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1pj4 s HIS 2305N -1.56 3.70 -0.17 -0.32 3.76 -1.22 -4.86 115.29 114.62 1pj4 s HIS 2305Ca 0.36 1.58 -0.05 0.00 -0.15 0.00 0.00 55.06 56.81 1pj4 s HIS 2305Cb 0.21 -2.98 0.06 0.00 1.11 0.00 0.00 32.58 30.99 1pj4 s HIS 2305CO 0.20 0.12 0.08 0.21 -0.85 0.00 0.00 174.74 174.51 1pj4 s LYS 2306N 0.49 0.12 -0.16 1.40 2.47 -1.26 -4.81 119.74 117.99 1pj4 s LYS 2306Ca 0.45 -0.11 -0.07 0.00 -1.56 0.00 0.00 55.97 54.69 1pj4 s LYS 2306Cb -0.21 -1.83 -0.04 0.00 -1.46 0.00 0.00 37.83 34.29 1pj4 s LYS 2306CO 0.25 -0.66 0.07 0.42 0.16 0.00 0.00 175.35 175.59 1pj4 s ILE 2307N 2.11 4.88 -0.14 5.43 1.09 -0.17 -0.11 121.20 134.29 1pj4 s ILE 2307Ca 0.02 -0.01 0.01 0.00 -1.10 0.00 0.00 60.65 59.57 1pj4 s ILE 2307Cb -0.16 -3.17 0.02 0.00 -1.06 0.00 0.00 42.46 38.09 1pj4 s ILE 2307CO -0.09 0.51 -0.17 -0.22 -0.10 0.00 0.00 174.94 174.87 1pj4 s LEU 2308N -0.06 1.85 -0.11 2.97 2.96 -0.44 -0.40 118.68 125.45 1pj4 s LEU 2308Ca 0.07 -0.52 -0.10 0.00 -0.22 0.00 0.00 54.13 53.37 1pj4 s LEU 2308Cb -0.12 -1.25 -0.05 0.00 0.50 0.00 0.00 46.19 45.27 1pj4 s LEU 2308CO 0.01 0.01 0.20 -0.36 -1.32 0.00 0.00 176.35 174.89 1pj4 s PHE 2309N 1.14 3.58 -0.52 5.38 0.08 0.32 -1.61 117.98 126.36 1pj4 s PHE 2309Ca -0.02 0.59 -0.15 0.00 0.12 0.00 0.00 56.93 57.48 1pj4 s PHE 2309Cb -0.14 -2.07 0.12 0.00 -0.57 0.00 0.00 43.02 40.35 1pj4 s PHE 2309CO -0.06 0.61 0.46 -1.17 -0.10 0.00 0.00 175.22 174.96 1pj4 s LEU 2310N -0.70 6.03 0.00 -0.37 2.96 0.05 -0.60 118.68 126.05 1pj4 s LEU 2310Ca 0.16 -1.72 0.00 0.00 -0.22 0.00 0.00 54.13 52.35 1pj4 s LEU 2310Cb -0.13 -2.18 0.00 0.00 0.50 0.00 0.00 46.19 44.38 1pj4 s LEU 2310CO 0.05 -0.80 0.00 0.61 -1.32 0.00 0.00 176.35 174.89 1pj4 n GLY 2311N 5.20 2.86 2.69 7.98 0.00 0.11 -1.10 105.19 122.94 1pj4 n GLY 2311Ca -0.13 -1.81 -0.07 0.00 0.00 0.00 0.00 46.02 44.01 1pj4 n GLY 2311CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pj4 n ALA 2312N 0.27 2.95 -2.79 4.61 0.00 -1.26 -4.35 120.51 119.94 1pj4 n ALA 2312Ca 0.00 -2.72 0.00 0.00 0.00 0.00 0.00 53.44 50.72 1pj4 n ALA 2312Cb 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 18.51 1pj4 n ALA 2312CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pj4 n GLY 2313N -0.26 4.40 0.39 0.00 0.00 -1.26 -4.75 105.19 103.70 1pj4 n GLY 2313Ca 0.06 -1.79 -0.08 0.00 0.00 0.00 0.00 46.02 44.22 1pj4 n GLY 2313CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1pj4 n GLU 2314N 0.00 -0.36 -0.08 1.61 1.02 -1.26 -0.69 120.64 120.88 1pj4 n GLU 2314Ca 0.00 1.46 -0.13 0.00 -0.02 0.00 0.00 57.16 58.47 1pj4 n GLU 2314Cb 0.00 -2.15 -0.05 0.00 -0.02 0.00 0.00 31.44 29.21 1pj4 n GLU 2314CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1pj4 h ALA 2315N 0.74 0.31 -0.05 0.62 0.00 -1.87 -1.53 119.26 117.48 1pj4 h ALA 2315Ca 0.21 -0.32 0.01 0.00 0.00 0.00 0.00 54.91 54.81 1pj4 h ALA 2315Cb 0.45 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1pj4 h ALA 2315CO -0.92 0.20 -0.01 0.00 0.00 0.00 0.00 179.25 178.52 1pj4 h ALA 2316N 0.69 0.04 -0.64 0.00 0.00 -1.74 0.11 119.26 117.71 1pj4 h ALA 2316Ca 0.04 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 1pj4 h ALA 2316Cb 0.67 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 1pj4 h ALA 2316CO 0.04 -0.49 0.08 -0.07 0.00 0.00 0.00 179.25 178.81 1pj4 h LEU 2317N 0.01 1.03 -0.15 0.00 3.38 -0.95 0.92 115.31 119.56 1pj4 h LEU 2317Ca 0.02 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.72 1pj4 h LEU 2317Cb 0.03 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 1pj4 h LEU 2317CO -0.04 1.04 0.02 1.23 0.09 0.00 0.00 178.44 180.77 1pj4 h GLY 2318N 1.04 0.27 0.93 0.83 0.00 -1.08 -1.68 103.07 103.37 1pj4 h GLY 2318Ca 0.19 -0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.34 1pj4 h GLY 2318CO 0.02 0.17 0.10 -2.22 0.00 0.00 0.00 176.54 174.61 1pj4 h ILE 2319N 0.02 1.12 -0.04 2.60 2.04 -0.65 -2.03 117.51 120.58 1pj4 h ILE 2319Ca 0.04 -0.35 0.03 0.00 1.00 0.00 0.00 64.86 65.58 1pj4 h ILE 2319Cb 0.31 0.98 -0.04 0.00 -0.74 0.00 0.00 36.82 37.34 1pj4 h ILE 2319CO 0.00 0.12 -0.15 0.00 0.00 0.00 0.00 178.15 178.12 1pj4 h ALA 2320N 0.98 -0.15 -0.43 1.87 0.00 -0.80 0.11 119.26 120.85 1pj4 h ALA 2320Ca 0.07 0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.07 1pj4 h ALA 2320Cb 0.10 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1pj4 h ALA 2320CO -0.01 -0.63 0.29 -0.91 0.00 0.00 0.00 179.25 177.99 1pj4 h ASN 2321N -0.23 0.27 0.80 0.00 2.35 -1.20 0.25 115.58 117.82 1pj4 h ASN 2321Ca 0.06 0.00 -0.25 0.00 -0.55 0.00 0.00 56.30 55.57 1pj4 h ASN 2321Cb 0.32 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.61 1pj4 h ASN 2321CO -0.17 0.17 -1.17 0.25 -1.65 0.00 0.00 177.43 174.86 1pj4 h LEU 2322N 0.31 0.19 -0.54 1.61 5.85 -0.59 -3.21 115.31 118.93 1pj4 h LEU 2322Ca 0.19 -0.21 -0.06 0.00 0.84 0.00 0.00 57.88 58.64 1pj4 h LEU 2322Cb 0.36 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 1pj4 h LEU 2322CO -0.04 1.17 0.11 0.40 -0.34 0.00 0.00 178.44 179.74 1pj4 h ILE 2323N 0.03 1.25 0.00 4.05 2.04 0.15 -2.55 117.51 122.48 1pj4 h ILE 2323Ca -0.09 -0.91 0.00 0.00 1.00 0.00 0.00 64.86 64.86 1pj4 h ILE 2323Cb 1.88 0.80 0.00 0.00 -0.74 0.00 0.00 36.82 38.76 1pj4 h ILE 2323CO 0.16 0.33 0.00 0.52 0.00 0.00 0.00 178.15 179.16 1pj4 n VAL 2324N -4.39 0.00 -0.69 1.67 0.31 -0.01 -4.68 118.33 110.54 1pj4 n VAL 2324Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 1pj4 n VAL 2324Cb 0.25 -0.17 0.00 0.00 -0.91 0.00 0.00 33.84 33.01 1pj4 n VAL 2324CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1pj4 n SER 2326N 0.63 -0.07 0.00 4.52 2.88 -0.97 -4.64 113.62 115.97 1pj4 n SER 2326Ca 0.00 0.04 0.00 0.00 -1.33 0.00 0.00 58.87 57.58 1pj4 n SER 2326Cb 0.00 -0.31 0.00 0.00 -0.75 0.00 0.00 64.21 63.15 1pj4 n SER 2326CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1pj4 n VAL 2328N -0.65 0.00 0.54 2.46 0.31 -1.25 -2.79 118.33 116.94 1pj4 n VAL 2328Ca 0.00 0.00 0.06 0.00 -0.01 0.00 0.00 64.34 64.39 1pj4 n VAL 2328Cb 0.04 0.00 0.30 0.00 -0.91 0.00 0.00 33.84 33.26 1pj4 n VAL 2328CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1pj4 n GLU 2329N 0.00 0.13 -0.45 5.55 2.13 -1.26 -2.17 120.64 124.57 1pj4 n GLU 2329Ca 0.00 0.20 0.07 0.00 0.66 0.00 0.00 57.16 58.10 1pj4 n GLU 2329Cb 0.00 -1.50 0.19 0.00 0.27 0.00 0.00 31.44 30.40 1pj4 n GLU 2329CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1pj4 n ASN 2330N -1.35 1.90 0.00 4.31 3.02 -1.12 -5.04 115.26 116.99 1pj4 n ASN 2330Ca 0.05 -3.67 0.00 0.00 -0.03 0.00 0.00 54.58 50.93 1pj4 n ASN 2330Cb 0.11 -0.50 0.00 0.00 -0.61 0.00 0.00 39.78 38.78 1pj4 n ASN 2330CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1pj4 n GLY 2331N -1.21 2.38 2.43 7.41 0.00 -0.92 -5.09 105.19 110.19 1pj4 n GLY 2331Ca 0.18 -0.73 -0.29 0.00 0.00 0.00 0.00 46.02 45.18 1pj4 n GLY 2331CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pj4 n LEU 2332N 0.00 -3.95 -4.95 0.99 4.32 -1.26 -4.81 117.00 107.34 1pj4 n LEU 2332Ca 0.00 0.30 -0.23 0.00 -0.02 0.00 0.00 56.01 56.06 1pj4 n LEU 2332Cb 0.00 -0.63 0.00 0.00 -1.62 0.00 0.00 43.42 41.18 1pj4 n LEU 2332CO 0.00 -4.32 0.23 -0.94 -1.22 0.00 0.00 177.39 171.14 1pj4 s SER 2333N -0.78 5.96 0.36 -1.43 1.04 -1.26 -3.86 113.70 113.72 1pj4 s SER 2333Ca 0.37 0.27 0.07 0.00 0.48 0.00 0.00 55.95 57.14 1pj4 s SER 2333Cb -0.25 -1.62 0.76 0.00 0.10 0.00 0.00 66.02 65.01 1pj4 s SER 2333CO 0.59 -0.57 1.93 -0.08 0.98 0.00 0.00 173.24 176.09 1pj4 h GLU 2334N 0.54 0.72 -0.20 4.02 4.81 -1.93 -1.67 114.58 120.88 1pj4 h GLU 2334Ca -0.47 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 58.66 1pj4 h GLU 2334Cb 1.24 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 30.46 1pj4 h GLU 2334CO 0.58 0.48 -0.11 0.37 -0.73 0.00 0.00 179.01 179.60 1pj4 h GLN 2335N 0.74 0.43 -0.54 1.92 4.15 -1.99 -2.08 115.11 117.74 1pj4 h GLN 2335Ca 0.36 -0.19 -0.05 0.00 0.77 0.00 0.00 58.65 59.54 1pj4 h GLN 2335Cb 0.42 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.07 1pj4 h GLN 2335CO -0.14 0.73 0.16 0.93 -1.93 0.00 0.00 178.83 178.58 1pj4 h GLU 2336N 0.12 0.85 -0.40 1.69 5.08 -1.86 -2.86 114.58 117.20 1pj4 h GLU 2336Ca 0.04 -0.19 -0.02 0.00 -1.00 0.00 0.00 59.36 58.20 1pj4 h GLU 2336Cb 0.60 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 1pj4 h GLU 2336CO 0.03 0.78 0.18 0.00 -1.00 0.00 0.00 179.01 179.01 1pj4 h ALA 2337N 1.02 0.51 0.00 3.43 0.00 -1.33 -2.63 119.26 120.26 1pj4 h ALA 2337Ca 0.17 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1pj4 h ALA 2337Cb 0.30 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1pj4 h ALA 2337CO -0.00 0.09 -0.06 1.96 0.00 0.00 0.00 179.25 181.24 1pj4 h GLN 2338N 0.50 0.00 0.00 0.00 4.20 -1.31 -1.88 115.11 116.62 1pj4 h GLN 2338Ca 0.13 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.84 1pj4 h GLN 2338Cb 0.14 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.92 1pj4 h GLN 2338CO -0.02 0.06 0.00 1.17 -0.67 0.00 0.00 178.83 179.37 1pj4 n LYS 2339N -4.19 0.23 -0.04 1.46 3.00 -1.00 -2.61 118.16 115.01 1pj4 n LYS 2339Ca -0.03 0.30 0.12 0.00 -0.00 0.00 0.00 58.31 58.70 1pj4 n LYS 2339Cb 0.14 -1.83 0.48 0.00 0.00 0.00 0.00 35.03 33.82 1pj4 n LYS 2339CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1pj4 n LYS 2340N -2.24 1.56 -4.48 1.64 5.02 -0.71 -4.81 118.16 114.14 1pj4 n LYS 2340Ca 0.04 -0.84 -0.33 0.00 -2.02 0.00 0.00 58.31 55.17 1pj4 n LYS 2340Cb 0.34 -1.41 -0.16 0.00 -0.02 0.00 0.00 35.03 33.78 1pj4 n LYS 2340CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1pj4 s ILE 2341N -1.89 2.19 0.00 -0.18 1.01 -1.07 -1.00 121.20 120.26 1pj4 s ILE 2341Ca 0.34 -0.92 0.00 0.00 0.00 0.00 0.00 60.65 60.07 1pj4 s ILE 2341Cb 0.18 -1.90 0.00 0.00 0.01 0.00 0.00 42.46 40.75 1pj4 s ILE 2341CO 0.28 0.54 0.00 0.79 0.00 0.00 0.00 174.94 176.55 1pj4 n TRP 2342N 4.23 -0.15 -3.15 3.97 7.02 0.46 -4.81 117.44 125.01 1pj4 n TRP 2342Ca -0.20 0.00 0.06 0.00 -1.02 0.00 0.00 57.50 56.34 1pj4 n TRP 2342Cb 0.51 0.00 -0.02 0.00 -2.42 0.00 0.00 31.31 29.38 1pj4 n TRP 2342CO 0.00 0.00 0.00 0.12 -2.02 0.00 0.00 177.69 175.79 1pj4 s PHE 2344N -0.19 -0.18 0.00 -5.99 5.36 0.23 -0.52 117.98 116.69 1pj4 s PHE 2344Ca 0.00 0.18 0.00 0.00 -0.96 0.00 0.00 56.93 56.15 1pj4 s PHE 2344Cb 0.00 0.06 0.00 0.00 -0.34 0.00 0.00 43.02 42.74 1pj4 s PHE 2344CO 0.00 -0.10 0.00 -0.40 -1.46 0.00 0.00 175.22 173.26 1pj4 n ASP 2345N 5.43 0.14 0.00 6.13 5.75 -0.84 0.09 116.55 133.26 1pj4 n ASP 2345Ca -0.06 -0.20 0.05 0.00 -0.01 0.00 0.00 54.79 54.57 1pj4 n ASP 2345Cb 0.55 0.00 0.28 0.00 -1.03 0.00 0.00 41.12 40.92 1pj4 n ASP 2345CO 0.00 0.00 0.00 2.29 -0.11 0.00 0.00 177.20 179.38 1pj4 n LYS 2346N -0.19 0.19 -0.02 0.11 2.85 -1.26 -1.98 118.16 117.86 1pj4 n LYS 2346Ca 0.00 0.15 0.03 0.00 -1.05 0.00 0.00 58.31 57.43 1pj4 n LYS 2346Cb 0.00 -1.50 0.03 0.00 -0.65 0.00 0.00 35.03 32.91 1pj4 n LYS 2346CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1pj4 n TYR 2347N -1.23 0.05 0.00 5.58 4.02 -1.26 -5.11 117.16 119.21 1pj4 n TYR 2347Ca 0.06 -0.12 0.00 0.00 -0.01 0.00 0.00 57.90 57.83 1pj4 n TYR 2347Cb 0.07 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.39 1pj4 n TYR 2347CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1pj4 n GLY 2348N 0.21 -0.38 3.76 2.72 0.00 -0.84 -5.00 105.19 105.67 1pj4 n GLY 2348Ca 0.03 -2.24 -0.41 0.00 0.00 0.00 0.00 46.02 43.40 1pj4 n GLY 2348CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1pj4 s LEU 2349N 0.00 4.34 -0.69 0.99 2.96 -1.26 -1.98 118.68 123.03 1pj4 s LEU 2349Ca 0.00 2.96 -0.27 0.00 -0.22 0.00 0.00 54.13 56.60 1pj4 s LEU 2349Cb 0.00 -3.65 0.03 0.00 0.50 0.00 0.00 46.19 43.07 1pj4 s LEU 2349CO 0.00 -0.85 1.21 -0.76 -1.32 0.00 0.00 176.35 174.63 1pj4 s LEU 2350N -1.34 3.39 0.10 -0.68 1.43 -1.26 -4.93 118.68 115.38 1pj4 s LEU 2350Ca 0.57 -0.40 0.08 0.00 -1.03 0.00 0.00 54.13 53.36 1pj4 s LEU 2350Cb -0.46 -2.67 -0.03 0.00 0.03 0.00 0.00 46.19 43.05 1pj4 s LEU 2350CO 0.55 -1.70 -0.22 0.68 0.23 0.00 0.00 176.35 175.89 1pj4 s VAL 2351N 5.33 1.78 0.07 -1.59 -7.23 -1.26 -3.36 120.40 114.13 1pj4 s VAL 2351Ca 0.35 -1.52 -0.34 0.00 -1.81 0.00 0.00 61.98 58.66 1pj4 s VAL 2351Cb -0.09 -1.60 -0.13 0.00 0.56 0.00 0.00 36.38 35.12 1pj4 s VAL 2351CO 0.17 0.00 1.68 0.29 -0.31 0.00 0.00 175.10 176.93 1pj4 n LYS 2352N 1.19 2.12 -0.85 4.82 5.02 0.18 -2.16 118.16 128.47 1pj4 n LYS 2352Ca -0.19 0.77 0.00 0.00 -2.02 0.00 0.00 58.31 56.87 1pj4 n LYS 2352Cb 0.53 -2.56 0.00 0.00 -0.02 0.00 0.00 35.03 32.98 1pj4 n LYS 2352CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pj4 n GLY 2353N 3.74 0.50 3.84 0.72 0.00 -1.26 -4.67 105.19 108.05 1pj4 n GLY 2353Ca 0.19 -0.70 -0.31 0.00 0.00 0.00 0.00 46.02 45.20 1pj4 n GLY 2353CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1pj4 s ARG 2354N -1.31 3.28 0.32 1.61 1.70 -0.92 -4.96 118.95 118.67 1pj4 s ARG 2354Ca 0.00 0.90 0.00 0.00 -0.47 0.00 0.00 55.73 56.16 1pj4 s ARG 2354Cb 0.00 -2.04 0.52 0.00 -0.57 0.00 0.00 34.95 32.87 1pj4 s ARG 2354CO 0.00 -0.83 1.94 -0.22 -1.08 0.00 0.00 175.30 175.11 1pj4 h LYS 2355N -0.37 0.87 -6.74 3.89 1.63 -1.97 -3.43 116.57 110.45 1pj4 h LYS 2355Ca -0.44 -0.09 -0.49 0.00 -0.85 0.00 0.00 60.65 58.77 1pj4 h LYS 2355Cb 1.20 -0.17 -0.02 0.00 -0.60 0.00 0.00 32.23 32.64 1pj4 h LYS 2355CO 0.59 0.65 0.33 0.00 -3.45 0.00 0.00 179.45 177.56 1pj4 s ALA 2356N -5.57 3.34 0.87 5.00 0.00 -1.26 -5.02 121.76 119.11 1pj4 s ALA 2356Ca -0.10 0.58 -0.16 0.00 0.00 0.00 0.00 51.96 52.28 1pj4 s ALA 2356Cb 0.17 -3.18 -0.07 0.00 0.00 0.00 0.00 23.12 20.04 1pj4 s ALA 2356CO 0.78 0.22 -0.09 1.63 0.00 0.00 0.00 175.76 178.29 1pj4 n LYS 2357N 1.38 -0.02 -3.38 0.00 4.76 -1.26 -5.03 118.16 114.61 1pj4 n LYS 2357Ca -0.02 0.02 -0.11 0.00 -2.87 0.00 0.00 58.31 55.33 1pj4 n LYS 2357Cb 0.48 -1.42 -0.09 0.00 -1.84 0.00 0.00 35.03 32.16 1pj4 n LYS 2357CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1pj4 s ILE 2358N -2.09 -0.54 0.86 -0.18 -1.09 -1.26 -5.08 121.20 111.82 1pj4 s ILE 2358Ca 0.52 -0.12 -0.11 0.00 -2.23 0.00 0.00 60.65 58.71 1pj4 s ILE 2358Cb -0.26 -0.81 0.15 0.00 -1.58 0.00 0.00 42.46 39.96 1pj4 s ILE 2358CO 0.71 -0.17 1.20 1.51 -1.23 0.00 0.00 174.94 176.97 1pj4 s ASP 2359N 2.49 3.75 0.34 3.58 3.84 -1.26 -4.82 116.67 124.60 1pj4 s ASP 2359Ca 0.11 0.25 0.08 0.00 -0.00 0.00 0.00 52.55 52.99 1pj4 s ASP 2359Cb -0.15 -0.49 0.80 0.00 -1.38 0.00 0.00 42.92 41.70 1pj4 s ASP 2359CO -0.17 -2.31 1.83 0.77 -0.00 0.00 0.00 175.17 175.29 1pj4 h SER 2360N -1.22 0.69 0.32 2.11 4.64 -2.02 -1.28 113.55 116.79 1pj4 h SER 2360Ca -0.43 0.06 -0.19 0.00 -0.47 0.00 0.00 61.79 60.76 1pj4 h SER 2360Cb 1.26 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 63.28 1pj4 h SER 2360CO 0.45 0.31 -0.76 1.88 -0.87 0.00 0.00 176.83 177.84 1pj4 h TYR 2361N 0.71 0.49 0.00 4.77 -1.99 -2.02 -3.23 116.97 115.70 1pj4 h TYR 2361Ca 0.50 -0.23 -0.10 0.00 2.00 0.00 0.00 58.73 60.91 1pj4 h TYR 2361Cb 0.83 -0.07 -0.01 0.00 2.00 0.00 0.00 36.73 39.47 1pj4 h TYR 2361CO -0.00 0.99 -0.46 1.96 -0.00 0.00 0.00 178.16 180.65 1pj4 h GLN 2362N 0.24 0.00 -0.79 4.88 4.20 -1.77 -3.36 115.11 118.51 1pj4 h GLN 2362Ca -0.03 0.00 0.15 0.00 0.06 0.00 0.00 58.65 58.83 1pj4 h GLN 2362Cb 1.34 0.00 -0.15 0.00 0.30 0.00 0.00 27.48 28.97 1pj4 h GLN 2362CO 0.13 0.46 -0.22 1.49 -0.67 0.00 0.00 178.83 180.01 1pj4 h GLU 2363N 0.00 -0.02 -0.00 1.46 4.22 -1.27 0.12 114.58 119.10 1pj4 h GLU 2363Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 1pj4 h GLU 2363Cb 1.29 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.54 1pj4 h GLU 2363CO 0.06 -0.01 0.01 -1.35 -2.18 0.00 0.00 179.01 175.54 1pj4 h PRO 2364N -0.02 0.00 -0.26 0.92 0.11 -1.76 -2.11 132.00 128.88 1pj4 h PRO 2364Ca 0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.48 1pj4 h PRO 2364Cb 0.58 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.69 1pj4 h PRO 2364CO -0.82 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 178.16 1pj4 n PHE 2365N -3.26 0.35 -3.30 0.65 3.01 0.34 -4.70 117.46 110.55 1pj4 n PHE 2365Ca -0.03 -0.41 -0.44 0.00 1.01 0.00 0.00 57.45 57.59 1pj4 n PHE 2365Cb 0.08 -0.02 -0.08 0.00 -0.01 0.00 0.00 39.48 39.45 1pj4 n PHE 2365CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 1pj4 s THR 2366N -0.97 5.08 0.49 4.37 2.01 -0.72 -4.71 115.64 121.19 1pj4 s THR 2366Ca 0.20 -0.61 0.08 0.00 0.31 0.00 0.00 61.69 61.67 1pj4 s THR 2366Cb 0.11 -4.13 0.02 0.00 0.01 0.00 0.00 72.50 68.51 1pj4 s THR 2366CO 0.14 -0.57 0.51 -1.00 -0.69 0.00 0.00 174.62 173.02 1pj4 s HIS 2367N 2.11 2.12 0.23 4.92 3.76 -1.21 -4.49 115.29 122.72 1pj4 s HIS 2367Ca 0.10 -0.63 -0.30 0.00 -0.15 0.00 0.00 55.06 54.08 1pj4 s HIS 2367Cb -0.20 -2.14 -0.10 0.00 1.11 0.00 0.00 32.58 31.26 1pj4 s HIS 2367CO 0.11 -0.50 1.39 -1.12 -0.85 0.00 0.00 174.74 173.77 1pj4 s SER 2368N -4.33 6.74 0.09 1.40 0.01 -1.26 -0.65 113.70 115.71 1pj4 s SER 2368Ca 0.49 2.57 -0.36 0.00 1.31 0.00 0.00 55.95 59.95 1pj4 s SER 2368Cb -0.04 -2.62 -0.17 0.00 0.21 0.00 0.00 66.02 63.40 1pj4 s SER 2368CO 0.29 -0.64 1.28 0.00 0.41 0.00 0.00 173.24 174.59 1pj4 n ALA 2369N 2.42 -1.21 -1.26 1.44 0.00 -1.26 -4.87 120.51 115.77 1pj4 n ALA 2369Ca 0.06 0.52 -0.13 0.00 0.00 0.00 0.00 53.44 53.89 1pj4 n ALA 2369Cb 0.41 -2.03 0.15 0.00 0.00 0.00 0.00 19.45 17.97 1pj4 n ALA 2369CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1pj4 n PRO 2370N 2.29 -1.75 -0.32 0.00 -0.04 -1.26 -4.92 135.00 129.00 1pj4 n PRO 2370Ca 0.18 -1.19 0.07 0.00 -0.04 0.00 0.00 63.50 62.52 1pj4 n PRO 2370Cb 0.19 -0.97 0.17 0.00 -0.04 0.00 0.00 33.50 32.84 1pj4 n PRO 2370CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1pj4 h GLU 2371N 0.00 0.01 -4.33 0.54 3.07 -1.97 -3.40 114.58 108.50 1pj4 h GLU 2371Ca -0.27 -0.00 -0.31 0.00 -0.50 0.00 0.00 59.36 58.28 1pj4 h GLU 2371Cb 0.78 -0.00 -0.27 0.00 -0.84 0.00 0.00 28.75 28.42 1pj4 h GLU 2371CO 0.18 0.01 -0.75 -1.12 -1.40 0.00 0.00 179.01 175.93 1pj4 s SER 2372N -5.19 0.63 -0.40 1.42 0.01 -1.26 -5.12 113.70 103.79 1pj4 s SER 2372Ca -0.14 -0.18 -0.27 0.00 1.31 0.00 0.00 55.95 56.66 1pj4 s SER 2372Cb 0.26 -0.04 0.02 0.00 0.21 0.00 0.00 66.02 66.47 1pj4 s SER 2372CO 0.77 0.01 1.02 -0.63 0.41 0.00 0.00 173.24 174.82 1pj4 s ILE 2373N -0.37 4.45 0.32 1.44 -1.09 -1.26 -5.01 121.20 119.67 1pj4 s ILE 2373Ca -0.01 1.28 -0.29 0.00 -2.23 0.00 0.00 60.65 59.40 1pj4 s ILE 2373Cb -0.04 -4.44 -0.10 0.00 -1.58 0.00 0.00 42.46 36.30 1pj4 s ILE 2373CO -0.00 -0.69 1.41 -2.16 -1.23 0.00 0.00 174.94 172.27 1pj4 s PRO 2374N 3.82 4.25 -0.12 2.79 0.04 -1.26 -4.95 135.00 139.57 1pj4 s PRO 2374Ca 0.42 2.36 0.13 0.00 0.04 0.00 0.00 61.00 63.95 1pj4 s PRO 2374Cb -0.10 -3.05 -0.24 0.00 0.04 0.00 0.00 34.50 31.15 1pj4 s PRO 2374CO 0.22 -0.37 0.36 -0.25 0.04 0.00 0.00 177.00 177.00 1pj4 n ASP 2375N 1.22 0.70 -4.45 6.66 9.92 -1.26 -4.56 116.55 124.79 1pj4 n ASP 2375Ca 0.03 0.21 -0.23 0.00 -0.53 0.00 0.00 54.79 54.26 1pj4 n ASP 2375Cb 0.40 0.26 -0.10 0.00 -0.64 0.00 0.00 41.12 41.04 1pj4 n ASP 2375CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 1pj4 s THR 2376N -2.55 1.22 0.35 -3.53 -4.23 -1.26 -4.93 115.64 100.71 1pj4 s THR 2376Ca -0.10 -2.00 0.10 0.00 -1.18 0.00 0.00 61.69 58.51 1pj4 s THR 2376Cb 0.07 -2.74 0.08 0.00 1.34 0.00 0.00 72.50 71.25 1pj4 s THR 2376CO 0.81 0.00 1.79 0.15 -0.54 0.00 0.00 174.62 176.83 1pj4 h PHE 2377N 2.00 0.14 -0.68 3.99 3.57 -1.94 -2.35 116.94 121.67 1pj4 h PHE 2377Ca -0.41 -0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.01 1pj4 h PHE 2377Cb 1.25 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.93 1pj4 h PHE 2377CO 0.74 0.46 0.20 1.49 -2.23 0.00 0.00 178.31 178.97 1pj4 h GLU 2378N 0.11 1.05 -0.36 1.11 4.81 -1.96 -1.26 114.58 118.08 1pj4 h GLU 2378Ca 0.01 -0.22 -0.10 0.00 -0.13 0.00 0.00 59.36 58.92 1pj4 h GLU 2378Cb 0.67 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.88 1pj4 h GLU 2378CO 0.05 0.91 -0.17 -0.44 -0.73 0.00 0.00 179.01 178.62 1pj4 h ASP 2379N 1.01 0.66 -0.74 1.04 3.32 -1.86 -1.70 116.42 118.15 1pj4 h ASP 2379Ca 0.22 -0.21 -0.04 0.00 0.02 0.00 0.00 57.03 57.02 1pj4 h ASP 2379Cb 0.30 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.64 1pj4 h ASP 2379CO -0.01 0.85 0.31 0.00 -1.72 0.00 0.00 179.24 178.67 1pj4 h ALA 2380N 1.21 0.96 -0.42 3.45 0.00 -0.95 -0.10 119.26 123.42 1pj4 h ALA 2380Ca 0.10 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1pj4 h ALA 2380Cb 0.63 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1pj4 h ALA 2380CO 0.04 0.57 0.14 0.28 0.00 0.00 0.00 179.25 180.28 1pj4 h VAL 2381N 1.06 1.22 -0.33 0.00 2.07 -0.82 0.94 116.25 120.39 1pj4 h VAL 2381Ca 0.25 -0.71 -0.13 0.00 0.82 0.00 0.00 66.70 66.93 1pj4 h VAL 2381Cb 0.19 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 1pj4 h VAL 2381CO -0.02 0.25 -0.33 0.78 0.02 0.00 0.00 177.57 178.27 1pj4 h ASN 2382N 0.54 0.76 0.02 0.57 2.35 -1.04 0.72 115.58 119.50 1pj4 h ASN 2382Ca 0.14 -0.32 -0.00 0.00 -0.55 0.00 0.00 56.30 55.57 1pj4 h ASN 2382Cb 0.25 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.41 1pj4 h ASN 2382CO -0.01 1.03 -0.01 0.40 -1.65 0.00 0.00 177.43 177.19 1pj4 h ILE 2383N 0.61 1.47 0.00 2.81 2.04 -0.94 -3.35 117.51 120.16 1pj4 h ILE 2383Ca 0.07 -1.81 -0.04 0.00 1.00 0.00 0.00 64.86 64.08 1pj4 h ILE 2383Cb 0.86 2.64 -0.01 0.00 -0.74 0.00 0.00 36.82 39.57 1pj4 h ILE 2383CO 0.07 0.45 -0.19 -0.07 0.00 0.00 0.00 178.15 178.41 1pj4 h LEU 2384N -0.85 0.00 -1.15 1.44 4.07 -0.90 -3.48 115.31 114.44 1pj4 h LEU 2384Ca -0.00 0.00 -0.46 0.00 0.08 0.00 0.00 57.88 57.49 1pj4 h LEU 2384Cb 0.75 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.47 1pj4 h LEU 2384CO 0.00 0.19 -0.77 0.29 -1.08 0.00 0.00 178.44 177.07 1pj4 n LYS 2385N -3.17 -5.41 -1.34 1.13 4.01 0.24 -4.93 118.16 108.70 1pj4 n LYS 2385Ca 0.03 0.60 -0.35 0.00 -0.51 0.00 0.00 58.31 58.08 1pj4 n LYS 2385Cb 0.57 -5.42 0.11 0.00 -0.51 0.00 0.00 35.03 29.78 1pj4 n LYS 2385CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 1pj4 s PRO 2386N -6.50 1.96 0.04 1.97 0.04 -1.26 -4.93 135.00 126.33 1pj4 s PRO 2386Ca 0.52 1.85 0.22 0.00 0.04 0.00 0.00 61.00 63.64 1pj4 s PRO 2386Cb -0.26 -1.80 -0.17 0.00 0.04 0.00 0.00 34.50 32.31 1pj4 s PRO 2386CO 0.83 -1.99 0.76 -1.13 0.04 0.00 0.00 177.00 175.51 1pj4 n SER 2387N -2.82 0.41 -3.89 6.66 3.41 0.84 -4.87 113.62 113.36 1pj4 n SER 2387Ca 0.14 -0.05 -0.17 0.00 -0.26 0.00 0.00 58.87 58.53 1pj4 n SER 2387Cb 0.50 1.30 -0.15 0.00 -0.26 0.00 0.00 64.21 65.59 1pj4 n SER 2387CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1pj4 s THR 2388N -3.37 0.32 -0.12 6.66 2.01 -0.96 -2.54 115.64 117.64 1pj4 s THR 2388Ca -0.02 -0.08 0.02 0.00 0.31 0.00 0.00 61.69 61.91 1pj4 s THR 2388Cb 0.13 -0.33 0.01 0.00 0.01 0.00 0.00 72.50 72.33 1pj4 s THR 2388CO 0.86 0.13 -0.18 -0.51 -0.69 0.00 0.00 174.62 174.23 1pj4 s ILE 2389N 0.44 1.71 -0.23 1.82 1.10 0.47 -1.32 121.20 125.18 1pj4 s ILE 2389Ca -0.05 -0.77 0.02 0.00 -0.51 0.00 0.00 60.65 59.34 1pj4 s ILE 2389Cb -0.08 -1.54 0.05 0.00 0.15 0.00 0.00 42.46 41.04 1pj4 s ILE 2389CO -0.01 0.48 -0.13 -0.63 -2.11 0.00 0.00 174.94 172.55 1pj4 s ILE 2390N 0.89 2.02 -0.37 2.00 1.01 -0.63 -0.93 121.20 125.19 1pj4 s ILE 2390Ca -0.07 -1.33 -0.23 0.00 0.00 0.00 0.00 60.65 59.01 1pj4 s ILE 2390Cb -0.15 -2.05 0.01 0.00 0.01 0.00 0.00 42.46 40.28 1pj4 s ILE 2390CO -0.01 0.15 0.78 -0.83 0.00 0.00 0.00 174.94 175.03 1pj4 s GLY 2391N 1.22 1.65 -0.36 6.18 0.00 0.43 -0.77 107.32 115.67 1pj4 s GLY 2391Ca -0.04 -0.69 0.14 0.00 0.00 0.00 0.00 44.72 44.13 1pj4 s GLY 2391CO -0.08 1.76 1.11 1.55 0.00 0.00 0.00 173.10 177.44 1pj4 n VAL 2392N 5.82 0.55 0.54 1.40 3.14 -0.26 -1.24 118.33 128.28 1pj4 n VAL 2392Ca 0.03 -2.43 0.08 0.00 -2.96 0.00 0.00 64.34 59.06 1pj4 n VAL 2392Cb 0.48 0.80 -0.11 0.00 -1.06 0.00 0.00 33.84 33.95 1pj4 n VAL 2392CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1pj4 n ALA 2393N -0.26 3.71 -2.91 1.55 0.00 -1.08 -4.59 120.51 116.93 1pj4 n ALA 2393Ca 0.04 -0.46 -0.20 0.00 0.00 0.00 0.00 53.44 52.83 1pj4 n ALA 2393Cb 0.83 -0.61 0.01 0.00 0.00 0.00 0.00 19.45 19.67 1pj4 n ALA 2393CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pj4 n GLY 2394N 1.44 -0.50 0.88 0.00 0.00 -1.26 -4.88 105.19 100.86 1pj4 n GLY 2394Ca 0.01 0.07 0.05 0.00 0.00 0.00 0.00 46.02 46.15 1pj4 n GLY 2394CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pj4 n ALA 2395N -3.02 2.92 0.00 4.61 0.00 -1.26 -4.82 120.51 118.95 1pj4 n ALA 2395Ca -0.11 -2.71 0.00 0.00 0.00 0.00 0.00 53.44 50.62 1pj4 n ALA 2395Cb 0.60 -0.51 0.00 0.00 0.00 0.00 0.00 19.45 19.54 1pj4 n ALA 2395CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pj4 n GLY 2396N -0.46 -1.81 2.96 0.00 0.00 -0.89 -4.71 105.19 100.27 1pj4 n GLY 2396Ca 0.12 -1.83 -0.27 0.00 0.00 0.00 0.00 46.02 44.04 1pj4 n GLY 2396CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pj4 n ARG 2397N 0.00 1.20 0.09 1.61 5.12 -1.13 -3.57 116.66 119.98 1pj4 n ARG 2397Ca 0.00 -1.32 0.13 0.00 -1.93 0.00 0.00 57.85 54.73 1pj4 n ARG 2397Cb 0.00 -2.51 0.45 0.00 -1.16 0.00 0.00 32.46 29.24 1pj4 n ARG 2397CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1pj4 n LEU 2398N 6.02 0.61 -4.01 0.55 7.99 -1.17 -4.02 117.00 122.98 1pj4 n LEU 2398Ca 0.38 0.58 -0.43 0.00 -0.01 0.00 0.00 56.01 56.52 1pj4 n LEU 2398Cb 0.23 -0.40 0.00 0.00 -0.11 0.00 0.00 43.42 43.14 1pj4 n LEU 2398CO 0.83 -0.22 1.84 0.49 -1.51 0.00 0.00 177.39 178.83 1pj4 n PHE 2399N -2.09 3.44 -0.76 -1.77 0.99 -0.42 -4.96 117.46 111.90 1pj4 n PHE 2399Ca 0.05 -2.93 -0.30 0.00 -0.00 0.00 0.00 57.45 54.27 1pj4 n PHE 2399Cb 0.37 -2.02 0.17 0.00 -1.00 0.00 0.00 39.48 37.00 1pj4 n PHE 2399CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.76 177.71 1pj4 s THR 2400N 0.75 2.23 0.44 4.37 -4.23 -1.26 -4.68 115.64 113.27 1pj4 s THR 2400Ca 0.41 0.08 0.17 0.00 -1.18 0.00 0.00 61.69 61.16 1pj4 s THR 2400Cb 0.07 -2.18 0.36 0.00 1.34 0.00 0.00 72.50 72.09 1pj4 s THR 2400CO 0.00 -0.10 1.93 -0.65 -0.54 0.00 0.00 174.62 175.26 1pj4 h PRO 2401N -1.92 0.37 -0.28 3.99 0.11 -1.94 0.01 132.00 132.34 1pj4 h PRO 2401Ca -0.47 -0.02 -0.15 0.00 0.11 0.00 0.00 66.00 65.46 1pj4 h PRO 2401Cb 1.28 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1pj4 h PRO 2401CO 0.45 0.24 -0.45 -0.44 -0.21 0.00 0.00 178.00 177.59 1pj4 h ASP 2402N 0.38 0.77 -0.35 -2.05 3.32 -1.99 -0.65 116.42 115.85 1pj4 h ASP 2402Ca 0.36 -0.37 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 1pj4 h ASP 2402Cb 0.86 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.18 1pj4 h ASP 2402CO -0.11 1.10 0.18 0.58 -1.72 0.00 0.00 179.24 179.27 1pj4 h VAL 2403N 0.57 1.15 -0.40 -1.35 2.07 -1.36 -0.69 116.25 116.24 1pj4 h VAL 2403Ca 0.04 -0.41 -0.05 0.00 0.82 0.00 0.00 66.70 67.09 1pj4 h VAL 2403Cb 1.00 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.55 1pj4 h VAL 2403CO 0.09 0.16 0.04 0.40 0.02 0.00 0.00 177.57 178.28 1pj4 h ILE 2404N 0.43 1.25 -0.80 4.57 2.04 -1.16 -2.91 117.51 120.91 1pj4 h ILE 2404Ca 0.12 -0.92 -0.03 0.00 1.00 0.00 0.00 64.86 65.03 1pj4 h ILE 2404Cb 0.09 1.07 -0.04 0.00 -0.74 0.00 0.00 36.82 37.20 1pj4 h ILE 2404CO -0.02 0.31 0.38 0.03 0.00 0.00 0.00 178.15 178.85 1pj4 h ARG 2405N 0.52 1.16 -0.60 2.37 3.08 -1.00 -2.29 114.38 117.61 1pj4 h ARG 2405Ca 0.12 -0.17 0.00 0.00 0.07 0.00 0.00 59.98 59.99 1pj4 h ARG 2405Cb 0.41 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.25 1pj4 h ARG 2405CO 0.01 0.90 0.00 0.00 -1.07 0.00 0.00 179.97 179.81 1pj4 n ALA 2406N -2.43 0.98 0.00 0.04 0.00 -0.27 -1.05 120.51 117.79 1pj4 n ALA 2406Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1pj4 n ALA 2406Cb 0.15 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 18.75 1pj4 n ALA 2406CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pj4 n ALA 2408N 0.59 0.00 0.07 0.00 0.00 -0.86 -1.07 120.51 119.23 1pj4 n ALA 2408Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 1pj4 n ALA 2408Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 1pj4 n ALA 2408CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1pj4 h SER 2409N 0.00 0.44 0.28 0.00 0.87 -1.36 -3.32 113.55 110.45 1pj4 h SER 2409Ca 0.00 -0.32 -0.34 0.00 -1.23 0.00 0.00 61.79 59.90 1pj4 h SER 2409Cb 0.00 -0.13 0.02 0.00 -0.44 0.00 0.00 62.40 61.85 1pj4 h SER 2409CO 0.00 1.10 -1.60 0.40 -0.53 0.00 0.00 176.83 176.20 1pj4 h ILE 2410N 0.22 1.12 -3.82 2.23 2.04 -1.35 -3.47 117.51 114.48 1pj4 h ILE 2410Ca -0.05 -2.65 -0.68 0.00 1.00 0.00 0.00 64.86 62.47 1pj4 h ILE 2410Cb 1.44 2.87 -0.20 0.00 -0.74 0.00 0.00 36.82 40.19 1pj4 h ILE 2410CO 0.14 0.84 -0.83 0.20 0.00 0.00 0.00 178.15 178.50 1pj4 s ASN 2411N -7.35 3.65 0.05 1.72 0.01 -1.25 -5.03 114.94 106.74 1pj4 s ASN 2411Ca -0.12 -0.63 -0.15 0.00 -0.71 0.00 0.00 52.86 51.25 1pj4 s ASN 2411Cb 0.05 -0.41 -0.26 0.00 0.41 0.00 0.00 41.25 41.03 1pj4 s ASN 2411CO 0.89 0.18 1.13 -0.08 -1.51 0.00 0.00 177.10 177.71 1pj4 h GLU 2412N 3.84 0.62 -2.47 -0.60 4.57 -1.91 -3.39 114.58 115.24 1pj4 h GLU 2412Ca -0.50 -0.75 -0.60 0.00 -1.18 0.00 0.00 59.36 56.33 1pj4 h GLU 2412Cb 1.17 0.23 -0.40 0.00 -0.16 0.00 0.00 28.75 29.59 1pj4 h GLU 2412CO 0.43 1.33 -0.80 0.54 -1.18 0.00 0.00 179.01 179.32 1pj4 n ARG 2413N -3.88 1.27 -2.03 1.92 5.12 -1.26 -4.76 116.66 113.04 1pj4 n ARG 2413Ca -0.12 -3.89 -0.40 0.00 -1.93 0.00 0.00 57.85 51.51 1pj4 n ARG 2413Cb 0.90 -1.89 -0.01 0.00 -1.16 0.00 0.00 32.46 30.31 1pj4 n ARG 2413CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 1pj4 s PRO 2414N -1.17 4.18 -0.32 5.56 0.04 -1.26 -4.78 135.00 137.25 1pj4 s PRO 2414Ca 0.32 2.27 -0.11 0.00 0.04 0.00 0.00 61.00 63.53 1pj4 s PRO 2414Cb 0.06 -2.95 -0.02 0.00 0.04 0.00 0.00 34.50 31.64 1pj4 s PRO 2414CO -0.13 -0.36 0.19 0.08 0.04 0.00 0.00 177.00 176.82 1pj4 s VAL 2415N -1.17 4.93 -0.20 -0.36 1.01 -1.05 -1.59 120.40 121.97 1pj4 s VAL 2415Ca 0.52 -0.27 0.01 0.00 0.00 0.00 0.00 61.98 62.24 1pj4 s VAL 2415Cb -0.41 -3.50 0.04 0.00 0.00 0.00 0.00 36.38 32.52 1pj4 s VAL 2415CO 0.54 0.06 -0.11 -0.63 0.00 0.00 0.00 175.10 174.96 1pj4 s ILE 2416N 1.67 1.73 -0.19 2.22 1.01 -0.51 -0.40 121.20 126.74 1pj4 s ILE 2416Ca 0.05 -1.06 -0.01 0.00 0.00 0.00 0.00 60.65 59.63 1pj4 s ILE 2416Cb -0.17 -1.78 0.00 0.00 0.01 0.00 0.00 42.46 40.52 1pj4 s ILE 2416CO 0.08 0.19 -0.13 -0.36 0.00 0.00 0.00 174.94 174.72 1pj4 s PHE 2417N 1.36 2.85 -0.66 3.97 0.40 -0.11 -2.85 117.98 122.93 1pj4 s PHE 2417Ca -0.01 -1.25 0.00 0.00 -0.60 0.00 0.00 56.93 55.07 1pj4 s PHE 2417Cb -0.16 -1.98 0.17 0.00 0.51 0.00 0.00 43.02 41.55 1pj4 s PHE 2417CO -0.08 -0.64 0.47 0.00 0.70 0.00 0.00 175.22 175.67 1pj4 s ALA 2418N 1.25 3.67 -0.85 5.36 0.00 -0.59 0.16 121.76 130.76 1pj4 s ALA 2418Ca 0.03 -3.47 0.26 0.00 0.00 0.00 0.00 51.96 48.78 1pj4 s ALA 2418Cb -0.14 -2.50 0.68 0.00 0.00 0.00 0.00 23.12 21.16 1pj4 s ALA 2418CO -0.06 -2.10 1.56 1.28 0.00 0.00 0.00 175.76 176.44 1pj4 n LEU 2419N 2.95 0.49 -4.76 0.00 4.77 -0.37 -1.67 117.00 118.41 1pj4 n LEU 2419Ca 0.11 0.27 -0.37 0.00 -0.03 0.00 0.00 56.01 56.00 1pj4 n LEU 2419Cb 0.36 -0.30 0.03 0.00 -2.33 0.00 0.00 43.42 41.17 1pj4 n LEU 2419CO 0.33 -0.00 0.89 -0.44 -1.33 0.00 0.00 177.39 176.84 1pj4 s SER 2420N -3.59 5.43 0.13 -1.43 0.01 -1.22 -3.84 113.70 109.19 1pj4 s SER 2420Ca 0.10 2.51 0.06 0.00 1.31 0.00 0.00 55.95 59.94 1pj4 s SER 2420Cb 0.16 -2.61 -0.04 0.00 0.21 0.00 0.00 66.02 63.74 1pj4 s SER 2420CO 0.65 -1.44 -0.14 0.20 0.41 0.00 0.00 173.24 172.93 1pj4 s ASN 2421N -1.30 2.01 0.68 2.44 0.01 -1.26 -3.80 114.94 113.72 1pj4 s ASN 2421Ca 0.72 -0.85 0.00 0.00 -0.71 0.00 0.00 52.86 52.02 1pj4 s ASN 2421Cb -0.34 -0.07 0.00 0.00 0.41 0.00 0.00 41.25 41.26 1pj4 s ASN 2421CO 0.39 -0.17 0.00 -0.81 -1.51 0.00 0.00 177.10 175.00 1pj4 n PRO 2422N 0.37 0.35 -0.32 -0.60 -0.04 -1.26 0.53 135.00 134.03 1pj4 n PRO 2422Ca -0.14 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.35 1pj4 n PRO 2422Cb 0.58 0.00 0.11 0.00 -0.04 0.00 0.00 33.50 34.15 1pj4 n PRO 2422CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1pj4 h THR 2423N -0.68 0.10 -0.04 0.52 2.02 -1.92 0.10 112.91 113.00 1pj4 h THR 2423Ca 0.00 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.19 1pj4 h THR 2423Cb 0.00 0.10 -0.00 0.00 -1.74 0.00 0.00 68.15 66.51 1pj4 h THR 2423CO 0.00 0.00 0.04 0.00 0.37 0.00 0.00 175.52 175.93 1pj4 h ALA 2424N 1.83 1.81 -0.01 6.16 0.00 -1.94 -1.36 119.26 125.75 1pj4 h ALA 2424Ca 0.42 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.33 1pj4 h ALA 2424Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1pj4 h ALA 2424CO -0.92 -0.06 -0.22 1.04 0.00 0.00 0.00 179.25 179.10 1pj4 n GLN 2425N -4.19 0.82 -1.87 0.00 1.13 0.33 -4.40 117.38 109.20 1pj4 n GLN 2425Ca -0.02 -0.44 -0.39 0.00 -1.94 0.00 0.00 57.00 54.21 1pj4 n GLN 2425Cb 0.13 -1.49 0.01 0.00 0.11 0.00 0.00 30.24 29.00 1pj4 n GLN 2425CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1pj4 s ALA 2426N -2.49 3.19 0.40 -1.58 0.00 -0.51 -2.10 121.76 118.67 1pj4 s ALA 2426Ca 0.26 1.38 0.31 0.00 0.00 0.00 0.00 51.96 53.90 1pj4 s ALA 2426Cb 0.19 -3.56 1.58 0.00 0.00 0.00 0.00 23.12 21.33 1pj4 s ALA 2426CO 0.51 -1.11 2.10 0.93 0.00 0.00 0.00 175.76 178.19 1pj4 h GLU 2427N 2.31 0.00 -1.55 0.00 3.07 -1.83 -2.98 114.58 113.60 1pj4 h GLU 2427Ca -0.50 0.00 0.29 0.00 -0.50 0.00 0.00 59.36 58.65 1pj4 h GLU 2427Cb 1.26 0.00 -0.13 0.00 -0.84 0.00 0.00 28.75 29.04 1pj4 h GLU 2427CO 0.61 0.08 0.79 0.00 -1.40 0.00 0.00 179.01 179.09 1pj4 s THR 2429N -2.52 4.08 0.13 0.00 -4.23 -1.26 -4.90 115.64 106.94 1pj4 s THR 2429Ca 0.13 -1.00 -0.17 0.00 -1.18 0.00 0.00 61.69 59.46 1pj4 s THR 2429Cb 0.03 -3.41 -0.02 0.00 1.34 0.00 0.00 72.50 70.44 1pj4 s THR 2429CO -0.04 -0.16 1.70 0.00 -0.54 0.00 0.00 174.62 175.59 1pj4 h ALA 2430N 0.90 0.45 -0.72 3.99 0.00 -1.97 -1.89 119.26 120.02 1pj4 h ALA 2430Ca -0.46 -0.10 0.09 0.00 0.00 0.00 0.00 54.91 54.44 1pj4 h ALA 2430Cb 1.26 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 18.84 1pj4 h ALA 2430CO 0.53 0.01 0.36 1.49 0.00 0.00 0.00 179.25 181.65 1pj4 h GLU 2431N 0.43 0.60 -0.38 0.00 4.81 -1.95 -0.79 114.58 117.28 1pj4 h GLU 2431Ca 0.12 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.27 1pj4 h GLU 2431Cb 0.12 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 1pj4 h GLU 2431CO -0.01 0.40 0.06 0.93 -0.73 0.00 0.00 179.01 179.65 1pj4 h GLU 2432N 0.62 0.64 0.47 1.92 5.08 -1.89 -2.20 114.58 119.22 1pj4 h GLU 2432Ca 0.36 -0.17 -0.02 0.00 -1.00 0.00 0.00 59.36 58.52 1pj4 h GLU 2432Cb 0.38 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1pj4 h GLU 2432CO -0.27 0.70 -0.23 0.00 -1.00 0.00 0.00 179.01 178.22 1pj4 h ALA 2433N 0.91 -0.63 -0.85 3.43 0.00 -0.73 -1.67 119.26 119.73 1pj4 h ALA 2433Ca 0.12 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1pj4 h ALA 2433Cb 0.37 0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 1pj4 h ALA 2433CO 0.01 -0.77 0.42 1.88 0.00 0.00 0.00 179.25 180.79 1pj4 h TYR 2434N -0.80 1.21 -0.03 0.00 -1.99 -1.23 -2.63 116.97 111.50 1pj4 h TYR 2434Ca -0.06 -0.05 -0.02 0.00 2.00 0.00 0.00 58.73 60.59 1pj4 h TYR 2434Cb 0.56 -0.38 0.00 0.00 2.00 0.00 0.00 36.73 38.91 1pj4 h TYR 2434CO -0.01 0.87 -0.07 1.79 -0.00 0.00 0.00 178.16 180.74 1pj4 h THR 2435N 1.21 1.45 0.00 -2.88 1.35 -1.43 0.64 112.91 113.24 1pj4 h THR 2435Ca 0.29 -1.45 0.00 0.00 -0.55 0.00 0.00 66.41 64.71 1pj4 h THR 2435Cb 0.10 2.35 0.00 0.00 -1.73 0.00 0.00 68.15 68.87 1pj4 h THR 2435CO -0.04 0.39 0.00 0.18 -0.25 0.00 0.00 175.52 175.80 1pj4 n LEU 2436N -4.71 0.50 -0.36 3.87 4.32 -0.63 -1.77 117.00 118.23 1pj4 n LEU 2436Ca -0.08 0.66 0.03 0.00 -0.02 0.00 0.00 56.01 56.60 1pj4 n LEU 2436Cb 0.34 -0.63 0.09 0.00 -1.62 0.00 0.00 43.42 41.60 1pj4 n LEU 2436CO 0.36 -0.63 0.57 0.35 -1.22 0.00 0.00 177.39 176.82 1pj4 n THR 2437N -2.09 1.03 -2.93 -5.08 -2.24 -0.99 -4.53 114.28 97.44 1pj4 n THR 2437Ca 0.01 -1.03 -0.22 0.00 -2.27 0.00 0.00 64.05 60.54 1pj4 n THR 2437Cb 0.15 0.48 0.03 0.00 -2.10 0.00 0.00 70.33 68.89 1pj4 n THR 2437CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1pj4 n GLU 2438N 0.03 -4.32 -1.33 -0.78 -0.58 -0.73 -1.77 120.64 111.17 1pj4 n GLU 2438Ca 0.07 0.91 -0.09 0.00 -0.42 0.00 0.00 57.16 57.63 1pj4 n GLU 2438Cb 0.36 -5.74 -0.04 0.00 -0.57 0.00 0.00 31.44 25.45 1pj4 n GLU 2438CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1pj4 n GLY 2439N -1.43 1.01 0.07 0.62 0.00 0.22 -4.91 105.19 100.77 1pj4 n GLY 2439Ca -0.13 -0.61 0.11 0.00 0.00 0.00 0.00 46.02 45.39 1pj4 n GLY 2439CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pj4 n ARG 2440N -2.67 0.60 -1.93 1.61 1.74 -0.73 -4.98 116.66 110.30 1pj4 n ARG 2440Ca -0.09 -0.02 -0.30 0.00 -0.77 0.00 0.00 57.85 56.67 1pj4 n ARG 2440Cb 0.32 -1.68 0.04 0.00 -1.02 0.00 0.00 32.46 30.12 1pj4 n ARG 2440CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1pj4 s LEU 2442N -5.31 3.08 0.13 0.00 1.43 -0.62 -4.96 118.68 112.43 1pj4 s LEU 2442Ca 0.57 -0.86 0.09 0.00 -1.03 0.00 0.00 54.13 52.91 1pj4 s LEU 2442Cb -0.11 -1.64 -0.04 0.00 0.03 0.00 0.00 46.19 44.43 1pj4 s LEU 2442CO 0.51 -0.11 -0.18 0.12 0.23 0.00 0.00 176.35 176.92 1pj4 s PHE 2443N 1.31 2.51 -0.13 0.29 5.36 -1.26 -1.42 117.98 124.65 1pj4 s PHE 2443Ca 0.00 -0.27 -0.19 0.00 -0.96 0.00 0.00 56.93 55.51 1pj4 s PHE 2443Cb -0.16 -1.32 0.05 0.00 -0.34 0.00 0.00 43.02 41.24 1pj4 s PHE 2443CO -0.05 0.40 0.49 0.00 -1.46 0.00 0.00 175.22 174.59 1pj4 s ALA 2444N -1.21 -1.22 0.15 11.12 0.00 -1.13 -3.87 121.76 125.59 1pj4 s ALA 2444Ca 0.18 1.15 0.02 0.00 0.00 0.00 0.00 51.96 53.32 1pj4 s ALA 2444Cb -0.10 -0.49 -0.04 0.00 0.00 0.00 0.00 23.12 22.48 1pj4 s ALA 2444CO 0.10 -0.26 -0.04 -1.54 0.00 0.00 0.00 175.76 174.02 1pj4 s SER 2445N -0.32 1.29 0.10 0.00 1.04 -1.06 -1.54 113.70 113.22 1pj4 s SER 2445Ca -0.05 -1.10 -0.06 0.00 0.48 0.00 0.00 55.95 55.22 1pj4 s SER 2445Cb -0.03 0.09 -0.17 0.00 0.10 0.00 0.00 66.02 66.00 1pj4 s SER 2445CO 0.03 -0.50 1.23 1.23 0.98 0.00 0.00 173.24 176.21 1pj4 h GLY 2446N 2.79 0.47 -3.40 7.32 0.00 -1.42 0.39 103.07 109.23 1pj4 h GLY 2446Ca -0.36 -0.93 -0.48 0.00 0.00 0.00 0.00 47.33 45.56 1pj4 h GLY 2446CO 0.63 0.82 -0.44 -0.56 0.00 0.00 0.00 176.54 177.00 1pj4 s SER 2447N -7.16 6.32 0.27 0.19 0.01 -1.26 -4.49 113.70 107.57 1pj4 s SER 2447Ca -0.06 0.09 -0.29 0.00 1.31 0.00 0.00 55.95 57.00 1pj4 s SER 2447Cb 0.08 -1.87 -0.09 0.00 0.21 0.00 0.00 66.02 64.34 1pj4 s SER 2447CO 0.88 -0.04 1.13 -2.16 0.41 0.00 0.00 173.24 173.46 1pj4 s PRO 2448N -3.80 4.59 -0.01 12.44 0.04 -1.26 -4.92 135.00 142.07 1pj4 s PRO 2448Ca 0.34 1.85 0.01 0.00 0.04 0.00 0.00 61.00 63.24 1pj4 s PRO 2448Cb -0.09 -3.19 0.01 0.00 0.04 0.00 0.00 34.50 31.26 1pj4 s PRO 2448CO 0.29 0.13 -0.02 -0.06 0.04 0.00 0.00 177.00 177.37 1pj4 s PHE 2449N -0.97 0.33 0.95 0.56 0.40 -1.26 -5.03 117.98 112.96 1pj4 s PHE 2449Ca 0.46 -0.05 -0.15 0.00 -0.60 0.00 0.00 56.93 56.59 1pj4 s PHE 2449Cb -0.33 -0.29 0.18 0.00 0.51 0.00 0.00 43.02 43.10 1pj4 s PHE 2449CO 0.41 -0.05 1.27 0.20 0.70 0.00 0.00 175.22 177.75 1pj4 s GLY 2450N 0.30 1.72 0.67 4.36 0.00 -1.26 -4.72 107.32 108.39 1pj4 s GLY 2450Ca -0.03 -1.04 -0.17 0.00 0.00 0.00 0.00 44.72 43.48 1pj4 s GLY 2450CO -0.01 -0.32 0.80 -1.05 0.00 0.00 0.00 173.10 172.52 1pj4 n PRO 2451N -3.78 0.55 -4.64 2.90 -0.02 -1.26 -4.73 135.00 124.02 1pj4 n PRO 2451Ca 0.13 0.23 -0.32 0.00 -2.02 0.00 0.00 63.50 61.53 1pj4 n PRO 2451Cb 0.60 -2.04 -0.17 0.00 -0.02 0.00 0.00 33.50 31.87 1pj4 n PRO 2451CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1pj4 s VAL 2452N -1.75 1.99 -0.24 -1.45 1.01 0.09 -4.96 120.40 115.10 1pj4 s VAL 2452Ca 0.72 -0.94 -0.06 0.00 0.00 0.00 0.00 61.98 61.70 1pj4 s VAL 2452Cb -0.38 -1.76 -0.02 0.00 0.00 0.00 0.00 36.38 34.22 1pj4 s VAL 2452CO 0.52 0.54 0.03 -0.75 0.00 0.00 0.00 175.10 175.43 1pj4 s LYS 2453N 0.84 3.56 0.63 2.72 2.20 -1.26 -0.73 119.74 127.70 1pj4 s LYS 2453Ca -0.07 -0.53 -0.11 0.00 -0.36 0.00 0.00 55.97 54.90 1pj4 s LYS 2453Cb -0.15 -3.21 -0.03 0.00 -1.51 0.00 0.00 37.83 32.93 1pj4 s LYS 2453CO -0.02 -0.18 1.04 -0.51 -0.36 0.00 0.00 175.35 175.32 1pj4 s LEU 2454N 1.53 3.19 0.55 5.43 1.43 0.03 -4.91 118.68 125.93 1pj4 s LEU 2454Ca 0.06 1.39 0.31 0.00 -1.03 0.00 0.00 54.13 54.86 1pj4 s LEU 2454Cb -0.15 -4.41 1.47 0.00 0.03 0.00 0.00 46.19 43.13 1pj4 s LEU 2454CO 0.01 -0.94 1.88 0.74 0.23 0.00 0.00 176.35 178.27 1pj4 h THR 2455N -0.37 0.50 -0.09 5.49 2.02 -1.99 0.35 112.91 118.82 1pj4 h THR 2455Ca -0.44 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.74 1pj4 h THR 2455Cb 1.20 0.56 0.00 0.00 -1.74 0.00 0.00 68.15 68.17 1pj4 h THR 2455CO 0.62 0.00 0.00 -0.90 0.37 0.00 0.00 175.52 175.61 1pj4 n ASP 2456N -4.11 0.93 0.00 4.18 5.68 -1.26 -4.92 116.55 117.04 1pj4 n ASP 2456Ca 0.16 -1.56 0.00 0.00 -0.50 0.00 0.00 54.79 52.89 1pj4 n ASP 2456Cb 0.90 -0.05 0.00 0.00 -1.14 0.00 0.00 41.12 40.82 1pj4 n ASP 2456CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1pj4 n GLY 2457N 0.99 2.55 3.77 6.12 0.00 0.12 -5.06 105.19 113.68 1pj4 n GLY 2457Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1pj4 n GLY 2457CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pj4 s ARG 2458N -0.90 4.27 -0.18 1.61 0.52 -1.26 -4.71 118.95 118.31 1pj4 s ARG 2458Ca 0.00 2.34 -0.02 0.00 -0.52 0.00 0.00 55.73 57.53 1pj4 s ARG 2458Cb 0.00 -3.04 -0.01 0.00 0.52 0.00 0.00 34.95 32.42 1pj4 s ARG 2458CO 0.00 -0.31 -0.09 0.08 0.02 0.00 0.00 175.30 175.00 1pj4 s VAL 2459N -1.10 3.10 -0.12 3.52 1.01 -1.26 -0.79 120.40 124.76 1pj4 s VAL 2459Ca 0.50 -0.61 0.01 0.00 0.00 0.00 0.00 61.98 61.89 1pj4 s VAL 2459Cb -0.42 -2.36 -0.01 0.00 0.00 0.00 0.00 36.38 33.59 1pj4 s VAL 2459CO 0.56 0.48 -0.17 -0.36 0.00 0.00 0.00 175.10 175.61 1pj4 s PHE 2460N 1.01 2.72 -0.42 5.22 0.08 0.09 -4.94 117.98 121.74 1pj4 s PHE 2460Ca -0.01 -0.83 -0.09 0.00 0.12 0.00 0.00 56.93 56.12 1pj4 s PHE 2460Cb -0.15 -1.80 0.08 0.00 -0.57 0.00 0.00 43.02 40.58 1pj4 s PHE 2460CO -0.01 -0.31 0.27 0.99 -0.10 0.00 0.00 175.22 176.05 1pj4 s THR 2461N 0.39 4.23 0.43 0.64 2.01 -1.01 -0.73 115.64 121.61 1pj4 s THR 2461Ca -0.13 -1.43 -0.23 0.00 0.31 0.00 0.00 61.69 60.21 1pj4 s THR 2461Cb -0.17 -3.61 -0.09 0.00 0.01 0.00 0.00 72.50 68.65 1pj4 s THR 2461CO 0.06 -0.53 1.07 -2.16 -0.69 0.00 0.00 174.62 172.36 1pj4 s PRO 2462N 1.42 3.99 0.35 4.92 0.04 -1.26 -3.24 135.00 141.22 1pj4 s PRO 2462Ca 0.03 1.51 0.02 0.00 0.04 0.00 0.00 61.00 62.61 1pj4 s PRO 2462Cb -0.23 -2.39 -0.02 0.00 0.04 0.00 0.00 34.50 31.89 1pj4 s PRO 2462CO 0.02 -0.29 0.54 0.20 0.04 0.00 0.00 177.00 177.50 1pj4 s GLY 2463N -1.65 1.41 -0.39 0.56 0.00 -1.25 -4.93 107.32 101.08 1pj4 s GLY 2463Ca 0.61 -1.07 -0.09 0.00 0.00 0.00 0.00 44.72 44.17 1pj4 s GLY 2463CO 0.27 -0.99 0.20 1.62 0.00 0.00 0.00 173.10 174.20 1pj4 s GLN 2464N -4.31 2.63 -1.32 2.90 0.74 -1.26 -2.55 119.66 116.50 1pj4 s GLN 2464Ca 0.42 -1.32 -0.14 0.00 0.05 0.00 0.00 55.36 54.37 1pj4 s GLN 2464Cb -0.10 -3.68 0.11 0.00 1.10 0.00 0.00 33.01 30.45 1pj4 s GLN 2464CO 0.35 -0.83 1.84 0.41 -0.55 0.00 0.00 175.29 176.51 1pj4 n GLY 2465N 4.89 3.86 3.35 2.59 0.00 0.14 -4.90 105.19 115.12 1pj4 n GLY 2465Ca -0.11 -1.79 -0.31 0.00 0.00 0.00 0.00 46.02 43.80 1pj4 n GLY 2465CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1pj4 s ASN 2466N 2.71 3.30 0.00 1.61 3.84 -1.26 -4.25 114.94 120.89 1pj4 s ASN 2466Ca 0.46 -0.41 0.02 0.00 0.21 0.00 0.00 52.86 53.14 1pj4 s ASN 2466Cb 0.07 -0.46 0.14 0.00 -0.55 0.00 0.00 41.25 40.45 1pj4 s ASN 2466CO -0.00 0.32 0.77 -0.46 -2.79 0.00 0.00 177.10 174.94 1pj4 n ASN 2467N 2.34 0.00 0.30 -4.21 0.23 -1.26 -2.34 115.26 110.32 1pj4 n ASN 2467Ca -0.16 0.10 0.18 0.00 -0.53 0.00 0.00 54.58 54.16 1pj4 n ASN 2467Cb 0.51 -0.15 0.93 0.00 -2.08 0.00 0.00 39.78 39.00 1pj4 n ASN 2467CO 0.00 0.00 0.00 1.62 -0.93 0.00 0.00 177.26 177.95 1pj4 h VAL 2468N 0.00 0.22 0.00 3.53 3.04 -1.95 0.52 116.25 121.61 1pj4 h VAL 2468Ca 0.00 -0.26 -0.01 0.00 -1.01 0.00 0.00 66.70 65.42 1pj4 h VAL 2468Cb 0.01 1.21 -0.00 0.00 -2.01 0.00 0.00 31.29 30.50 1pj4 h VAL 2468CO 0.00 0.03 -0.03 1.88 -1.01 0.00 0.00 177.57 178.45 1pj4 h TYR 2469N 0.00 0.00 0.00 3.17 -1.99 -1.84 -3.39 116.97 112.92 1pj4 h TYR 2469Ca -0.00 0.00 -0.08 0.00 2.00 0.00 0.00 58.73 60.65 1pj4 h TYR 2469Cb 0.21 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.92 1pj4 h TYR 2469CO 0.00 0.03 -1.08 -0.89 -0.00 0.00 0.00 178.16 176.22 1pj4 n ILE 2470N -3.12 1.38 -0.11 -2.88 2.08 0.10 -4.71 119.36 112.11 1pj4 n ILE 2470Ca 0.02 0.09 0.15 0.00 0.56 0.00 0.00 62.75 63.57 1pj4 n ILE 2470Cb 0.40 -2.08 0.54 0.00 -0.75 0.00 0.00 39.64 37.74 1pj4 n ILE 2470CO 0.00 0.00 0.00 2.19 0.56 0.00 0.00 176.55 179.30 1pj4 h PHE 2471N -0.76 0.38 -0.30 1.39 -5.15 -1.59 -2.28 116.94 108.63 1pj4 h PHE 2471Ca -0.12 0.01 -0.02 0.00 -0.20 0.00 0.00 57.97 57.64 1pj4 h PHE 2471Cb 0.92 -0.12 -0.01 0.00 0.22 0.00 0.00 35.95 36.95 1pj4 h PHE 2471CO -0.27 0.16 0.10 -1.35 -2.00 0.00 0.00 178.31 174.95 1pj4 h PRO 2472N 0.33 0.47 -0.38 6.09 0.11 -1.83 0.19 132.00 136.98 1pj4 h PRO 2472Ca 0.32 -0.10 -0.15 0.00 0.11 0.00 0.00 66.00 66.18 1pj4 h PRO 2472Cb 0.78 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.81 1pj4 h PRO 2472CO -0.08 0.51 -0.34 0.78 -0.21 0.00 0.00 178.00 178.66 1pj4 h GLY 2473N 0.34 0.97 0.86 -0.55 0.00 -1.67 -1.86 103.07 101.16 1pj4 h GLY 2473Ca 0.10 -0.98 -0.03 0.00 0.00 0.00 0.00 47.33 46.42 1pj4 h GLY 2473CO -0.00 0.88 0.03 -2.08 0.00 0.00 0.00 176.54 175.37 1pj4 h VAL 2474N 0.70 1.24 -0.65 4.60 2.07 -1.39 -1.81 116.25 121.01 1pj4 h VAL 2474Ca 0.06 -0.81 0.03 0.00 0.82 0.00 0.00 66.70 66.80 1pj4 h VAL 2474Cb 0.92 1.29 -0.04 0.00 -1.52 0.00 0.00 31.29 31.94 1pj4 h VAL 2474CO 0.09 0.26 0.40 0.00 0.02 0.00 0.00 177.57 178.33 1pj4 h ALA 2475N 0.84 0.85 -0.28 1.67 0.00 -0.94 -1.08 119.26 120.32 1pj4 h ALA 2475Ca 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1pj4 h ALA 2475Cb 0.36 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1pj4 h ALA 2475CO 0.01 0.15 0.18 1.25 0.00 0.00 0.00 179.25 180.84 1pj4 h LEU 2476N 0.78 0.32 -0.14 0.00 5.85 -1.15 -1.58 115.31 119.39 1pj4 h LEU 2476Ca 0.26 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.97 1pj4 h LEU 2476Cb 0.03 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 1pj4 h LEU 2476CO -0.11 0.23 0.06 0.00 -0.34 0.00 0.00 178.44 178.28 1pj4 h ALA 2477N 1.10 0.18 -0.34 1.25 0.00 -0.93 -1.42 119.26 119.09 1pj4 h ALA 2477Ca 0.10 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.96 1pj4 h ALA 2477Cb -0.04 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 1pj4 h ALA 2477CO -0.02 -0.25 0.12 0.28 0.00 0.00 0.00 179.25 179.38 1pj4 h VAL 2478N 0.09 0.91 0.60 0.00 2.07 -1.14 -0.92 116.25 117.86 1pj4 h VAL 2478Ca 0.05 -0.09 -0.03 0.00 0.82 0.00 0.00 66.70 67.44 1pj4 h VAL 2478Cb 0.13 0.61 0.01 0.00 -1.52 0.00 0.00 31.29 30.52 1pj4 h VAL 2478CO -0.01 0.05 -0.29 0.40 0.02 0.00 0.00 177.57 177.74 1pj4 h ILE 2479N 0.27 0.40 -0.37 4.57 2.04 -1.19 -2.34 117.51 120.90 1pj4 h ILE 2479Ca 0.15 -0.02 0.07 0.00 1.00 0.00 0.00 64.86 66.06 1pj4 h ILE 2479Cb 0.12 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 36.60 1pj4 h ILE 2479CO -0.15 0.00 0.26 -0.07 0.00 0.00 0.00 178.15 178.19 1pj4 h LEU 2480N -0.82 0.19 -0.72 1.44 3.38 -1.12 -2.03 115.31 115.62 1pj4 h LEU 2480Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1pj4 h LEU 2480Cb 0.63 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1pj4 h LEU 2480CO 0.14 0.12 -0.09 0.00 0.09 0.00 0.00 178.44 178.69 1pj4 n ASN 2482N -0.22 -5.77 -4.76 0.00 5.03 -0.77 -0.76 115.26 108.01 1pj4 n ASN 2482Ca 0.17 -0.63 -0.37 0.00 0.87 0.00 0.00 54.58 54.62 1pj4 n ASN 2482Cb 0.34 -4.56 0.01 0.00 -1.02 0.00 0.00 39.78 34.55 1pj4 n ASN 2482CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1pj4 s THR 2483N -3.30 2.79 -0.21 3.41 2.01 -0.93 -3.71 115.64 115.69 1pj4 s THR 2483Ca 0.62 0.57 0.02 0.00 0.31 0.00 0.00 61.69 63.21 1pj4 s THR 2483Cb -0.29 -3.28 -0.21 0.00 0.01 0.00 0.00 72.50 68.74 1pj4 s THR 2483CO 0.76 -0.03 -0.00 0.54 -0.69 0.00 0.00 174.62 175.20 1pj4 n ARG 2484N -0.81 0.68 -3.97 4.92 1.74 -1.26 -4.84 116.66 113.13 1pj4 n ARG 2484Ca 0.09 0.16 -0.10 0.00 -0.77 0.00 0.00 57.85 57.24 1pj4 n ARG 2484Cb 0.48 -1.58 -0.11 0.00 -1.02 0.00 0.00 32.46 30.22 1pj4 n ARG 2484CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1pj4 s HIS 2485N -2.53 0.23 -0.32 -1.55 3.76 -1.26 -2.75 115.29 110.87 1pj4 s HIS 2485Ca -0.27 -0.45 -0.08 0.00 -0.15 0.00 0.00 55.06 54.12 1pj4 s HIS 2485Cb 0.08 -0.17 0.02 0.00 1.11 0.00 0.00 32.58 33.62 1pj4 s HIS 2485CO 0.68 -0.16 0.12 0.42 -0.85 0.00 0.00 174.74 174.95 1pj4 s ILE 2486N -1.23 4.06 0.43 0.60 1.01 -1.26 -5.02 121.20 119.80 1pj4 s ILE 2486Ca -0.13 -0.85 -0.09 0.00 0.00 0.00 0.00 60.65 59.58 1pj4 s ILE 2486Cb -0.08 -3.19 -0.05 0.00 0.01 0.00 0.00 42.46 39.14 1pj4 s ILE 2486CO -0.01 -0.06 0.78 -0.94 0.00 0.00 0.00 174.94 174.71 1pj4 s SER 2487N 1.49 6.43 0.49 3.58 1.04 -1.26 -4.96 113.70 120.50 1pj4 s SER 2487Ca 0.01 1.07 0.16 0.00 0.48 0.00 0.00 55.95 57.67 1pj4 s SER 2487Cb -0.18 -2.30 1.20 0.00 0.10 0.00 0.00 66.02 64.83 1pj4 s SER 2487CO 0.04 -0.47 2.08 0.44 0.98 0.00 0.00 173.24 176.31 1pj4 h ASP 2488N 0.88 0.13 0.15 7.02 3.32 -2.01 -0.83 116.42 125.08 1pj4 h ASP 2488Ca -0.47 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.57 1pj4 h ASP 2488Cb 1.19 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 40.71 1pj4 h ASP 2488CO 0.63 0.09 -0.06 0.77 -1.72 0.00 0.00 179.24 178.95 1pj4 h SER 2489N 0.15 0.00 -0.87 6.45 4.64 -2.00 -1.04 113.55 120.88 1pj4 h SER 2489Ca 0.11 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.41 1pj4 h SER 2489Cb 0.27 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.32 1pj4 h SER 2489CO -0.02 0.06 0.45 0.58 -0.87 0.00 0.00 176.83 177.03 1pj4 h VAL 2490N 0.00 1.26 0.00 0.95 2.07 -1.53 -0.90 116.25 118.10 1pj4 h VAL 2490Ca -0.00 -0.69 -0.11 0.00 0.82 0.00 0.00 66.70 66.72 1pj4 h VAL 2490Cb 0.15 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.02 1pj4 h VAL 2490CO 0.01 0.30 -0.54 -0.26 0.02 0.00 0.00 177.57 177.10 1pj4 h PHE 2491N 1.23 0.00 -0.51 1.57 -1.00 -1.32 -0.73 116.94 116.18 1pj4 h PHE 2491Ca 0.30 0.00 -0.10 0.00 2.81 0.00 0.00 57.97 60.98 1pj4 h PHE 2491Cb 0.07 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.62 1pj4 h PHE 2491CO 0.01 0.54 -0.09 1.25 -1.61 0.00 0.00 178.31 178.42 1pj4 h LEU 2492N 0.00 0.97 -0.93 1.54 5.85 -1.09 -0.01 115.31 121.64 1pj4 h LEU 2492Ca -0.01 -0.35 -0.08 0.00 0.84 0.00 0.00 57.88 58.29 1pj4 h LEU 2492Cb 0.97 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.72 1pj4 h LEU 2492CO 0.07 1.09 -0.09 -0.08 -0.34 0.00 0.00 178.44 179.09 1pj4 h GLU 2493N 0.83 0.68 -0.46 1.25 4.57 -0.84 -1.73 114.58 118.89 1pj4 h GLU 2493Ca 0.14 -0.21 -0.08 0.00 -1.18 0.00 0.00 59.36 58.03 1pj4 h GLU 2493Cb 0.64 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 29.15 1pj4 h GLU 2493CO 0.04 0.76 -0.04 0.00 -1.18 0.00 0.00 179.01 178.59 1pj4 h ALA 2494N 1.28 0.62 -0.55 2.92 0.00 -0.66 -1.45 119.26 121.42 1pj4 h ALA 2494Ca 0.11 -0.30 0.04 0.00 0.00 0.00 0.00 54.91 54.77 1pj4 h ALA 2494Cb 0.52 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 1pj4 h ALA 2494CO 0.03 0.46 0.30 0.00 0.00 0.00 0.00 179.25 180.03 1pj4 h ALA 2495N 0.90 0.71 -0.53 0.00 0.00 -0.54 -0.30 119.26 119.49 1pj4 h ALA 2495Ca 0.12 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 1pj4 h ALA 2495Cb 0.56 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1pj4 h ALA 2495CO 0.03 -0.03 0.01 0.87 0.00 0.00 0.00 179.25 180.14 1pj4 h LYS 2496N 0.57 0.93 -0.60 0.00 1.57 -1.18 -2.54 116.57 115.33 1pj4 h LYS 2496Ca 0.24 -0.29 -0.05 0.00 -1.87 0.00 0.00 60.65 58.68 1pj4 h LYS 2496Cb 0.11 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.31 1pj4 h LYS 2496CO -0.15 0.94 0.17 0.00 -0.57 0.00 0.00 179.45 179.85 1pj4 h ALA 2497N 0.96 1.18 0.35 3.86 0.00 -0.72 -0.89 119.26 124.01 1pj4 h ALA 2497Ca 0.15 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1pj4 h ALA 2497Cb 0.51 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1pj4 h ALA 2497CO 0.02 0.57 -0.17 1.25 0.00 0.00 0.00 179.25 180.92 1pj4 h LEU 2498N 0.88 -0.40 -1.37 0.00 5.85 -0.93 -3.20 115.31 116.13 1pj4 h LEU 2498Ca 0.20 -0.13 -0.03 0.00 0.84 0.00 0.00 57.88 58.76 1pj4 h LEU 2498Cb 0.27 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 1pj4 h LEU 2498CO -0.01 -0.07 0.11 0.00 -0.34 0.00 0.00 178.44 178.13 1pj4 h THR 2499N -0.76 1.16 0.00 1.05 1.03 -1.40 -2.28 112.91 111.71 1pj4 h THR 2499Ca -0.05 -0.55 0.00 0.00 -0.01 0.00 0.00 66.41 65.80 1pj4 h THR 2499Cb 0.51 0.76 0.00 0.00 -1.07 0.00 0.00 68.15 68.35 1pj4 h THR 2499CO 0.08 0.20 0.00 -1.54 -0.01 0.00 0.00 175.52 174.25 1pj4 n SER 2500N -4.36 0.00 -0.55 0.00 3.41 -0.34 -1.38 113.62 110.39 1pj4 n SER 2500Ca 0.02 0.02 0.09 0.00 -0.26 0.00 0.00 58.87 58.74 1pj4 n SER 2500Cb 0.17 -0.17 0.03 0.00 -0.26 0.00 0.00 64.21 63.97 1pj4 n SER 2500CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pj4 n GLN 2501N -1.17 1.59 -2.38 4.33 6.02 -0.86 -4.92 117.38 119.98 1pj4 n GLN 2501Ca 0.04 -1.17 -0.43 0.00 -0.01 0.00 0.00 57.00 55.44 1pj4 n GLN 2501Cb 0.05 -1.36 -0.02 0.00 1.02 0.00 0.00 30.24 29.92 1pj4 n GLN 2501CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1pj4 s LEU 2502N -2.00 4.23 0.28 1.08 0.20 -0.48 -4.88 118.68 117.10 1pj4 s LEU 2502Ca 0.18 1.80 -0.19 0.00 0.69 0.00 0.00 54.13 56.61 1pj4 s LEU 2502Cb 0.15 -3.54 -0.09 0.00 -0.43 0.00 0.00 46.19 42.28 1pj4 s LEU 2502CO 0.39 -0.73 0.76 0.42 -0.29 0.00 0.00 176.35 176.90 1pj4 s THR 2503N 3.17 4.57 0.28 3.68 -4.23 -1.26 -4.97 115.64 116.87 1pj4 s THR 2503Ca 0.57 1.22 0.02 0.00 -1.18 0.00 0.00 61.69 62.32 1pj4 s THR 2503Cb -0.24 -3.76 0.27 0.00 1.34 0.00 0.00 72.50 70.11 1pj4 s THR 2503CO 0.18 0.01 1.76 0.44 -0.54 0.00 0.00 174.62 176.48 1pj4 h ASP 2504N 2.84 0.61 -0.76 3.99 3.32 -2.00 -1.02 116.42 123.41 1pj4 h ASP 2504Ca -0.48 0.10 0.08 0.00 0.02 0.00 0.00 57.03 56.76 1pj4 h ASP 2504Cb 1.18 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.69 1pj4 h ASP 2504CO 0.65 0.22 0.50 -0.33 -1.72 0.00 0.00 179.24 178.56 1pj4 h GLU 2505N 0.66 0.71 0.00 3.56 3.07 -2.01 -1.64 114.58 118.93 1pj4 h GLU 2505Ca 0.52 -0.04 -0.18 0.00 -0.50 0.00 0.00 59.36 59.16 1pj4 h GLU 2505Cb 0.80 -0.16 -0.02 0.00 -0.84 0.00 0.00 28.75 28.53 1pj4 h GLU 2505CO -0.39 0.47 -0.84 0.93 -1.40 0.00 0.00 179.01 177.78 1pj4 h GLU 2506N 0.73 0.07 -0.25 2.33 5.08 -1.56 -3.08 114.58 117.90 1pj4 h GLU 2506Ca 0.34 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.61 1pj4 h GLU 2506Cb 0.38 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 1pj4 h GLU 2506CO -0.12 0.86 0.12 -0.07 -1.00 0.00 0.00 179.01 178.80 1pj4 h LEU 2507N 0.04 0.32 -0.95 1.33 3.38 -1.01 -1.89 115.31 116.54 1pj4 h LEU 2507Ca -0.02 -0.13 0.13 0.00 0.09 0.00 0.00 57.88 57.95 1pj4 h LEU 2507Cb 1.46 -0.08 -0.09 0.00 0.09 0.00 0.00 40.66 42.04 1pj4 h LEU 2507CO 0.12 0.36 0.57 0.00 0.09 0.00 0.00 178.44 179.57 1pj4 h ALA 2508N 0.98 1.44 0.00 1.53 0.00 -1.41 0.85 119.26 122.65 1pj4 h ALA 2508Ca 0.08 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1pj4 h ALA 2508Cb 0.12 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1pj4 h ALA 2508CO -0.01 0.11 -0.05 1.96 0.00 0.00 0.00 179.25 181.26 1pj4 h GLN 2509N 0.86 0.00 0.00 0.00 4.20 -1.40 -3.45 115.11 115.32 1pj4 h GLN 2509Ca 0.49 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.20 1pj4 h GLN 2509Cb 0.55 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.33 1pj4 h GLN 2509CO -0.30 0.05 0.00 0.41 -0.67 0.00 0.00 178.83 178.32 1pj4 n GLY 2510N -0.79 1.31 3.67 3.46 0.00 0.29 -2.40 105.19 110.73 1pj4 n GLY 2510Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 1pj4 n GLY 2510CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pj4 s ARG 2511N -0.35 4.29 0.00 1.61 0.52 -0.74 -4.25 118.95 120.03 1pj4 s ARG 2511Ca 0.00 0.93 0.23 0.00 -0.52 0.00 0.00 55.73 56.37 1pj4 s ARG 2511Cb 0.00 -3.57 0.38 0.00 0.52 0.00 0.00 34.95 32.28 1pj4 s ARG 2511CO 0.00 -0.29 1.36 1.28 0.02 0.00 0.00 175.30 177.67 1pj4 n LEU 2512N 5.11 3.35 -3.92 2.53 4.77 -1.26 -3.95 117.00 123.63 1pj4 n LEU 2512Ca 0.03 -1.43 -0.09 0.00 -0.03 0.00 0.00 56.01 54.49 1pj4 n LEU 2512Cb 0.49 -0.21 -0.09 0.00 -2.33 0.00 0.00 43.42 41.29 1pj4 n LEU 2512CO 0.47 0.70 -0.18 -0.31 -1.33 0.00 0.00 177.39 176.74 1pj4 s TYR 2513N -1.53 0.22 0.63 -1.77 1.51 -1.26 -4.50 117.35 110.64 1pj4 s TYR 2513Ca 0.36 -0.59 -0.18 0.00 -1.01 0.00 0.00 57.07 55.65 1pj4 s TYR 2513Cb 0.22 -0.14 -0.02 0.00 -0.11 0.00 0.00 41.96 41.91 1pj4 s TYR 2513CO 0.31 -0.43 1.22 -2.14 -1.11 0.00 0.00 175.55 173.39 1pj4 s PRO 2514N -3.22 2.76 0.19 -1.71 0.02 -1.26 -4.89 135.00 126.89 1pj4 s PRO 2514Ca 0.00 1.85 -0.33 0.00 0.02 0.00 0.00 61.00 62.54 1pj4 s PRO 2514Cb 0.02 -1.90 -0.14 0.00 0.02 0.00 0.00 34.50 32.51 1pj4 s PRO 2514CO -0.07 -1.38 1.53 -2.30 -0.33 0.00 0.00 177.00 174.45 1pj4 n PRO 2515N -1.85 2.15 -0.17 5.54 -0.02 -1.26 -4.85 135.00 134.54 1pj4 n PRO 2515Ca 0.14 0.77 0.21 0.00 -2.02 0.00 0.00 63.50 62.60 1pj4 n PRO 2515Cb 0.49 -2.51 0.60 0.00 -0.02 0.00 0.00 33.50 32.06 1pj4 n PRO 2515CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1pj4 h LEU 2516N 5.44 0.22 -2.03 2.45 5.85 -2.00 0.09 115.31 125.32 1pj4 h LEU 2516Ca -0.45 0.02 0.11 0.00 0.84 0.00 0.00 57.88 58.40 1pj4 h LEU 2516Cb 1.26 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 42.25 1pj4 h LEU 2516CO 0.85 0.10 0.29 0.00 -0.34 0.00 0.00 178.44 179.34 1pj4 h ALA 2517N 1.62 2.29 -0.78 1.25 0.00 -1.96 0.00 119.26 121.68 1pj4 h ALA 2517Ca 0.40 -0.01 -0.29 0.00 0.00 0.00 0.00 54.91 55.01 1pj4 h ALA 2517Cb 1.23 0.03 -0.17 0.00 0.00 0.00 0.00 17.79 18.88 1pj4 h ALA 2517CO -0.09 -0.48 0.35 0.09 0.00 0.00 0.00 179.25 179.12 1pj4 n ASN 2518N -4.28 4.46 -0.28 0.00 4.13 0.02 -4.67 115.26 114.63 1pj4 n ASN 2518Ca 0.06 -3.35 0.13 0.00 1.68 0.00 0.00 54.58 53.10 1pj4 n ASN 2518Cb 0.47 -0.76 0.38 0.00 -1.54 0.00 0.00 39.78 38.33 1pj4 n ASN 2518CO 0.00 0.00 0.00 -0.29 0.28 0.00 0.00 177.26 177.25 1pj4 h ILE 2519N 2.16 0.80 0.73 2.41 6.09 -1.07 -1.60 117.51 127.02 1pj4 h ILE 2519Ca 0.36 -0.23 -0.04 0.00 -1.37 0.00 0.00 64.86 63.58 1pj4 h ILE 2519Cb 2.44 0.06 0.01 0.00 0.47 0.00 0.00 36.82 39.79 1pj4 h ILE 2519CO 0.81 0.12 -0.35 1.56 -3.07 0.00 0.00 178.15 177.23 1pj4 h GLN 2520N 0.68 -0.94 -0.05 2.19 7.50 -1.83 -1.28 115.11 121.38 1pj4 h GLN 2520Ca 0.47 0.06 -0.06 0.00 0.50 0.00 0.00 58.65 59.63 1pj4 h GLN 2520Cb 0.80 0.21 -0.01 0.00 0.05 0.00 0.00 27.48 28.53 1pj4 h GLN 2520CO -0.23 -0.61 -0.25 1.05 -1.50 0.00 0.00 178.83 177.29 1pj4 h GLU 2521N -1.07 0.08 -0.57 1.46 4.11 -1.79 -1.92 114.58 114.89 1pj4 h GLU 2521Ca -0.10 -0.02 -0.08 0.00 0.07 0.00 0.00 59.36 59.23 1pj4 h GLU 2521Cb 0.77 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.99 1pj4 h GLU 2521CO 0.16 0.33 0.04 0.28 0.07 0.00 0.00 179.01 179.90 1pj4 h VAL 2522N 0.08 1.26 -0.40 -1.06 2.07 -1.23 -1.28 116.25 115.70 1pj4 h VAL 2522Ca 0.01 -1.07 -0.11 0.00 0.82 0.00 0.00 66.70 66.35 1pj4 h VAL 2522Cb 0.49 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 1pj4 h VAL 2522CO 0.03 0.39 -0.20 0.28 0.02 0.00 0.00 177.57 178.09 1pj4 h SER 2523N 0.87 0.86 -0.86 0.57 0.02 -0.84 -2.02 113.55 112.15 1pj4 h SER 2523Ca 0.17 -0.41 -0.02 0.00 -0.84 0.00 0.00 61.79 60.69 1pj4 h SER 2523Cb 0.49 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.75 1pj4 h SER 2523CO 0.02 1.08 0.48 0.40 -1.14 0.00 0.00 176.83 177.66 1pj4 h ILE 2524N 0.64 1.25 -0.26 3.27 1.08 -1.24 -0.96 117.51 121.29 1pj4 h ILE 2524Ca 0.09 -0.61 -0.09 0.00 -0.39 0.00 0.00 64.86 63.85 1pj4 h ILE 2524Cb 0.75 0.09 -0.01 0.00 -3.07 0.00 0.00 36.82 34.58 1pj4 h ILE 2524CO 0.06 0.28 -0.24 0.78 -0.69 0.00 0.00 178.15 178.34 1pj4 h ASN 2525N 1.20 0.49 -0.09 1.72 2.35 -1.09 -1.33 115.58 118.82 1pj4 h ASN 2525Ca 0.30 -0.16 -0.13 0.00 -0.55 0.00 0.00 56.30 55.76 1pj4 h ASN 2525Cb 0.02 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.25 1pj4 h ASN 2525CO -0.05 0.73 -0.37 0.40 -1.65 0.00 0.00 177.43 176.48 1pj4 h ILE 2526N 0.43 1.29 -0.46 2.81 2.04 -0.87 -2.08 117.51 120.67 1pj4 h ILE 2526Ca 0.07 -1.52 -0.04 0.00 1.00 0.00 0.00 64.86 64.36 1pj4 h ILE 2526Cb 0.65 1.49 -0.02 0.00 -0.74 0.00 0.00 36.82 38.21 1pj4 h ILE 2526CO 0.05 0.49 0.12 0.00 0.00 0.00 0.00 178.15 178.80 1pj4 h ALA 2527N 1.09 0.61 0.01 1.87 0.00 -0.76 -0.03 119.26 122.05 1pj4 h ALA 2527Ca 0.05 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1pj4 h ALA 2527Cb 0.87 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1pj4 h ALA 2527CO 0.08 0.29 -0.00 0.82 0.00 0.00 0.00 179.25 180.43 1pj4 h ILE 2528N 0.62 1.01 -0.88 0.00 2.04 -1.09 0.95 117.51 120.16 1pj4 h ILE 2528Ca 0.15 -0.04 -0.02 0.00 1.00 0.00 0.00 64.86 65.95 1pj4 h ILE 2528Cb 0.32 1.04 -0.04 0.00 -0.74 0.00 0.00 36.82 37.39 1pj4 h ILE 2528CO 0.00 0.01 0.49 0.11 0.00 0.00 0.00 178.15 178.76 1pj4 h LYS 2529N -0.03 1.22 -0.05 2.37 1.79 -1.24 -1.40 116.57 119.23 1pj4 h LYS 2529Ca -0.00 -0.14 -0.16 0.00 -2.18 0.00 0.00 60.65 58.17 1pj4 h LYS 2529Cb 0.03 -0.24 -0.01 0.00 -1.58 0.00 0.00 32.23 30.42 1pj4 h LYS 2529CO 0.00 0.89 -0.69 0.28 -1.08 0.00 0.00 179.45 178.85 1pj4 h VAL 2530N 1.23 1.41 -0.42 0.50 2.07 -0.79 -2.07 116.25 118.18 1pj4 h VAL 2530Ca 0.31 -2.17 -0.10 0.00 0.82 0.00 0.00 66.70 65.56 1pj4 h VAL 2530Cb 0.02 2.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.91 1pj4 h VAL 2530CO -0.05 0.64 -0.13 0.71 0.02 0.00 0.00 177.57 178.76 1pj4 h THR 2531N 0.18 1.28 -0.74 2.57 1.35 -0.35 0.03 112.91 117.22 1pj4 h THR 2531Ca -0.02 -1.25 0.02 0.00 -0.55 0.00 0.00 66.41 64.61 1pj4 h THR 2531Cb 1.24 1.20 -0.04 0.00 -1.73 0.00 0.00 68.15 68.82 1pj4 h THR 2531CO 0.11 0.42 0.49 -0.33 -0.25 0.00 0.00 175.52 175.96 1pj4 h GLU 2532N 0.66 0.94 -0.22 4.72 5.08 -1.20 -1.28 114.58 123.28 1pj4 h GLU 2532Ca 0.10 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.34 1pj4 h GLU 2532Cb 0.67 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 1pj4 h GLU 2532CO 0.05 0.62 -0.11 -0.92 -1.00 0.00 0.00 179.01 177.65 1pj4 h TYR 2533N 0.97 0.54 -0.78 4.33 3.20 -0.89 -2.11 116.97 122.23 1pj4 h TYR 2533Ca 0.28 -0.14 -0.00 0.00 3.14 0.00 0.00 58.73 62.01 1pj4 h TYR 2533Cb -0.06 -0.12 -0.04 0.00 1.54 0.00 0.00 36.73 38.04 1pj4 h TYR 2533CO -0.00 0.75 0.48 -0.07 -1.64 0.00 0.00 178.16 177.68 1pj4 h LEU 2534N 0.17 0.92 -0.49 2.82 3.38 -0.47 -2.26 115.31 119.38 1pj4 h LEU 2534Ca 0.05 -0.05 -0.16 0.00 0.09 0.00 0.00 57.88 57.80 1pj4 h LEU 2534Cb 0.61 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1pj4 h LEU 2534CO 0.03 0.70 -0.54 1.88 0.09 0.00 0.00 178.44 180.61 1pj4 h TYR 2535N 1.06 0.77 0.00 1.13 -1.99 -1.27 -2.67 116.97 113.99 1pj4 h TYR 2535Ca 0.28 -0.27 0.00 0.00 2.00 0.00 0.00 58.73 60.74 1pj4 h TYR 2535Cb -0.06 -0.15 0.00 0.00 2.00 0.00 0.00 36.73 38.52 1pj4 h TYR 2535CO -0.01 1.02 0.00 0.00 -0.00 0.00 0.00 178.16 179.17 1pj4 n ALA 2536N -2.53 1.74 -1.52 3.88 0.00 -0.80 -2.84 120.51 118.45 1pj4 n ALA 2536Ca -0.03 0.03 0.07 0.00 0.00 0.00 0.00 53.44 53.51 1pj4 n ALA 2536Cb 0.60 -1.36 0.16 0.00 0.00 0.00 0.00 19.45 18.86 1pj4 n ALA 2536CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1pj4 n ASN 2537N -2.01 1.77 -3.06 0.00 3.02 -0.88 -5.08 115.26 109.03 1pj4 n ASN 2537Ca 0.03 -3.37 -0.08 0.00 -0.03 0.00 0.00 54.58 51.13 1pj4 n ASN 2537Cb 0.24 -0.46 0.01 0.00 -0.61 0.00 0.00 39.78 38.96 1pj4 n ASN 2537CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1pj4 n LYS 2538N -1.03 -1.84 -0.11 3.52 4.01 -1.13 -5.02 118.16 116.56 1pj4 n LYS 2538Ca 0.16 1.69 0.00 0.00 -0.51 0.00 0.00 58.31 59.65 1pj4 n LYS 2538Cb 0.71 -3.16 0.00 0.00 -0.51 0.00 0.00 35.03 32.08 1pj4 n LYS 2538CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1pj4 n ALA 2540N 0.62 -1.00 -0.46 7.82 0.00 -1.02 -5.04 120.51 121.43 1pj4 n ALA 2540Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.49 1pj4 n ALA 2540Cb 0.38 -0.04 0.07 0.00 0.00 0.00 0.00 19.45 19.86 1pj4 n ALA 2540CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1pj4 n PHE 2541N -0.00 0.05 -2.72 0.00 3.01 0.06 -4.89 117.46 112.97 1pj4 n PHE 2541Ca 0.00 -0.71 -0.42 0.00 1.01 0.00 0.00 57.45 57.33 1pj4 n PHE 2541Cb 0.00 -0.10 -0.03 0.00 -0.01 0.00 0.00 39.48 39.34 1pj4 n PHE 2541CO 0.00 0.00 0.00 0.50 1.01 0.00 0.00 176.76 178.27 1pj4 s ARG 2542N -1.80 4.53 0.08 -1.08 3.00 -0.86 -4.94 118.95 117.88 1pj4 s ARG 2542Ca 0.15 1.39 0.06 0.00 -1.00 0.00 0.00 55.73 56.33 1pj4 s ARG 2542Cb 0.13 -3.47 -0.03 0.00 0.00 0.00 0.00 34.95 31.57 1pj4 s ARG 2542CO 0.02 -0.09 -0.17 1.52 0.00 0.00 0.00 175.30 176.58 1pj4 s TYR 2543N 1.17 1.43 0.82 5.12 -0.85 -1.26 -4.01 117.35 119.78 1pj4 s TYR 2543Ca 0.51 -0.44 -0.12 0.00 -0.52 0.00 0.00 57.07 56.50 1pj4 s TYR 2543Cb -0.20 -0.80 0.09 0.00 0.38 0.00 0.00 41.96 41.42 1pj4 s TYR 2543CO 0.26 0.11 1.12 -1.25 -1.52 0.00 0.00 175.55 174.27 1pj4 s PRO 2544N -1.74 1.86 0.02 -3.49 0.04 -1.26 -5.08 135.00 125.36 1pj4 s PRO 2544Ca 0.01 0.40 -0.30 0.00 0.04 0.00 0.00 61.00 61.15 1pj4 s PRO 2544Cb -0.10 -1.91 -0.05 0.00 0.04 0.00 0.00 34.50 32.48 1pj4 s PRO 2544CO 0.03 -1.72 1.25 -2.00 0.04 0.00 0.00 177.00 174.60 1pj4 s GLU 2545N -5.30 4.37 0.42 4.56 2.12 -1.26 -4.99 118.70 118.63 1pj4 s GLU 2545Ca 0.62 1.81 -0.25 0.00 0.36 0.00 0.00 54.97 57.51 1pj4 s GLU 2545Cb -0.13 -3.44 -0.08 0.00 0.26 0.00 0.00 34.13 30.74 1pj4 s GLU 2545CO 0.53 -0.38 1.21 -1.25 -0.54 0.00 0.00 175.26 174.82 1pj4 s PRO 2546N 1.62 3.91 -0.01 4.30 0.04 -1.26 -4.97 135.00 138.63 1pj4 s PRO 2546Ca 0.59 1.92 -0.22 0.00 0.04 0.00 0.00 61.00 63.33 1pj4 s PRO 2546Cb -0.29 -2.61 -0.13 0.00 0.04 0.00 0.00 34.50 31.52 1pj4 s PRO 2546CO 0.27 -0.46 0.93 0.93 0.04 0.00 0.00 177.00 178.71 1pj4 h GLU 2547N 2.44 -0.72 -4.14 4.56 4.39 -2.05 -3.40 114.58 115.66 1pj4 h GLU 2547Ca -0.49 0.05 -0.76 0.00 0.34 0.00 0.00 59.36 58.50 1pj4 h GLU 2547Cb 1.24 0.16 -0.24 0.00 -0.10 0.00 0.00 28.75 29.82 1pj4 h GLU 2547CO 0.62 -0.45 0.08 0.34 -1.16 0.00 0.00 179.01 178.43 1pj4 s ASP 2548N -4.71 6.51 0.39 1.42 -1.08 -1.26 -4.95 116.67 113.00 1pj4 s ASP 2548Ca -0.12 -2.20 0.09 0.00 -0.52 0.00 0.00 52.55 49.80 1pj4 s ASP 2548Cb 0.01 -2.24 0.86 0.00 -1.46 0.00 0.00 42.92 40.09 1pj4 s ASP 2548CO 0.37 -0.78 1.96 0.11 0.52 0.00 0.00 175.17 177.35 1pj4 h LYS 2549N 8.39 0.59 -0.54 4.34 6.56 -1.96 -1.70 116.57 132.26 1pj4 h LYS 2549Ca -0.06 -0.04 -0.03 0.00 -1.06 0.00 0.00 60.65 59.47 1pj4 h LYS 2549Cb 1.06 -0.13 -0.02 0.00 -0.57 0.00 0.00 32.23 32.56 1pj4 h LYS 2549CO 0.92 0.39 0.22 0.00 -2.06 0.00 0.00 179.45 178.92 1pj4 h ALA 2550N 1.65 0.70 -0.39 3.86 0.00 -1.92 -1.04 119.26 122.12 1pj4 h ALA 2550Ca 0.30 -0.15 -0.16 0.00 0.00 0.00 0.00 54.91 54.90 1pj4 h ALA 2550Cb 0.39 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1pj4 h ALA 2550CO -0.10 0.30 -0.37 -0.22 0.00 0.00 0.00 179.25 178.87 1pj4 h LYS 2551N 0.73 0.93 -0.31 0.00 3.64 -1.86 -2.15 116.57 117.55 1pj4 h LYS 2551Ca 0.18 -0.48 0.04 0.00 -1.27 0.00 0.00 60.65 59.12 1pj4 h LYS 2551Cb 0.19 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 31.98 1pj4 h LYS 2551CO -0.02 1.13 0.09 -0.92 -2.27 0.00 0.00 179.45 177.46 1pj4 h TYR 2552N 0.76 0.15 0.03 1.91 3.20 -1.07 -1.77 116.97 120.18 1pj4 h TYR 2552Ca 0.07 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.95 1pj4 h TYR 2552Cb 0.96 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 39.21 1pj4 h TYR 2552CO 0.06 0.05 -0.02 0.28 -1.64 0.00 0.00 178.16 176.90 1pj4 h VAL 2553N 0.21 1.27 -0.05 1.81 2.07 -1.16 -3.26 116.25 117.13 1pj4 h VAL 2553Ca 0.14 -0.98 -0.02 0.00 0.82 0.00 0.00 66.70 66.67 1pj4 h VAL 2553Cb 0.14 1.91 -0.00 0.00 -1.52 0.00 0.00 31.29 31.81 1pj4 h VAL 2553CO -0.17 0.25 -0.04 0.11 0.02 0.00 0.00 177.57 177.73 1pj4 h LYS 2554N -0.48 0.07 0.00 1.57 1.57 -1.36 -2.25 116.57 115.71 1pj4 h LYS 2554Ca -0.00 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.73 1pj4 h LYS 2554Cb 0.44 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 1pj4 h LYS 2554CO 0.01 0.13 -0.18 0.93 -0.57 0.00 0.00 179.45 179.76 1pj4 h GLU 2555N 0.07 0.00 -0.59 3.15 5.08 -1.37 -3.27 114.58 117.65 1pj4 h GLU 2555Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1pj4 h GLU 2555Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1pj4 h GLU 2555CO 0.01 0.18 0.00 0.54 -1.00 0.00 0.00 179.01 178.74 1pj4 n ARG 2556N -3.33 2.76 -2.80 2.33 1.74 -0.85 -4.97 116.66 111.54 1pj4 n ARG 2556Ca 0.00 -2.45 -0.40 0.00 -0.77 0.00 0.00 57.85 54.24 1pj4 n ARG 2556Cb 0.41 -1.47 -0.05 0.00 -1.02 0.00 0.00 32.46 30.33 1pj4 n ARG 2556CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1pj4 s THR 2557N -1.01 4.31 0.33 0.55 -4.23 -1.21 -4.92 115.64 109.45 1pj4 s THR 2557Ca 0.40 1.99 -0.28 0.00 -1.18 0.00 0.00 61.69 62.62 1pj4 s THR 2557Cb 0.21 -4.28 -0.09 0.00 1.34 0.00 0.00 72.50 69.67 1pj4 s THR 2557CO 0.27 0.43 1.18 0.86 -0.54 0.00 0.00 174.62 176.82 1pj4 s TRP 2558N -0.69 3.28 0.09 3.99 -0.00 0.21 -5.02 118.94 120.79 1pj4 s TRP 2558Ca 0.42 1.58 0.08 0.00 -0.00 0.00 0.00 56.10 58.17 1pj4 s TRP 2558Cb -0.24 -3.43 -0.04 0.00 -0.00 0.00 0.00 33.47 29.76 1pj4 s TRP 2558CO 0.30 -1.14 -0.14 1.03 -0.00 0.00 0.00 176.95 176.99 1pj4 s ARG 2559N -1.81 2.02 0.00 5.86 3.00 -1.26 -4.62 118.95 122.14 1pj4 s ARG 2559Ca 0.49 -1.05 0.30 0.00 0.00 0.00 0.00 55.73 55.47 1pj4 s ARG 2559Cb -0.34 -2.23 1.55 0.00 0.00 0.00 0.00 34.95 33.93 1pj4 s ARG 2559CO 0.44 0.51 2.05 -1.13 0.00 0.00 0.00 175.30 177.16 1pj4 n SER 2560N 0.93 0.20 -4.78 0.23 3.41 -1.26 -4.87 113.62 107.48 1pj4 n SER 2560Ca -0.15 -0.61 -0.37 0.00 -0.26 0.00 0.00 58.87 57.49 1pj4 n SER 2560Cb 0.52 -0.12 -0.03 0.00 -0.26 0.00 0.00 64.21 64.32 1pj4 n SER 2560CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 1pj4 s GLU 2561N -2.33 4.04 0.32 4.33 1.03 -1.26 -4.69 118.70 120.13 1pj4 s GLU 2561Ca 0.35 1.61 -0.29 0.00 0.03 0.00 0.00 54.97 56.68 1pj4 s GLU 2561Cb 0.21 -2.51 -0.10 0.00 -0.80 0.00 0.00 34.13 30.92 1pj4 s GLU 2561CO 0.43 -0.28 1.36 0.71 -1.33 0.00 0.00 175.26 176.15 1pj4 s TYR 2562N -1.61 2.98 0.31 4.83 4.12 -1.26 -5.03 117.35 121.69 1pj4 s TYR 2562Ca 0.59 1.30 0.03 0.00 0.02 0.00 0.00 57.07 59.01 1pj4 s TYR 2562Cb -0.25 -3.76 -0.03 0.00 -1.52 0.00 0.00 41.96 36.41 1pj4 s TYR 2562CO 0.30 -2.19 0.48 -0.51 0.02 0.00 0.00 175.55 173.66 1pj4 s ASP 2563N -0.26 6.22 0.07 2.29 1.01 -1.26 -5.08 116.67 119.68 1pj4 s ASP 2563Ca 0.52 0.22 -0.27 0.00 0.71 0.00 0.00 52.55 53.72 1pj4 s ASP 2563Cb -0.41 -1.83 -0.06 0.00 1.01 0.00 0.00 42.92 41.63 1pj4 s ASP 2563CO 0.52 -0.26 0.86 -0.55 0.21 0.00 0.00 175.17 175.95 1pj4 s SER 2564N -4.05 7.35 -0.07 0.27 0.15 -1.26 -4.94 113.70 111.16 1pj4 s SER 2564Ca 0.39 1.61 0.17 0.00 0.70 0.00 0.00 55.95 58.82 1pj4 s SER 2564Cb -0.09 -2.53 0.57 0.00 -1.71 0.00 0.00 66.02 62.26 1pj4 s SER 2564CO 0.33 -0.03 1.49 0.18 1.20 0.00 0.00 173.24 176.41 1pj4 n LEU 2565N 2.82 4.01 -4.75 3.45 4.77 -1.26 -4.99 117.00 121.05 1pj4 n LEU 2565Ca -0.00 -2.30 -0.41 0.00 -0.03 0.00 0.00 56.01 53.27 1pj4 n LEU 2565Cb 0.50 -0.46 -0.04 0.00 -2.33 0.00 0.00 43.42 41.08 1pj4 n LEU 2565CO 0.49 0.81 0.79 -0.76 -1.33 0.00 0.00 177.39 177.40 1pj4 s LEU 2566N -1.56 4.52 0.54 2.23 1.43 -1.26 -5.02 118.68 119.57 1pj4 s LEU 2566Ca 0.42 2.17 -0.19 0.00 -1.03 0.00 0.00 54.13 55.50 1pj4 s LEU 2566Cb 0.26 -3.61 -0.06 0.00 0.03 0.00 0.00 46.19 42.81 1pj4 s LEU 2566CO 0.22 -0.17 1.09 -2.16 0.23 0.00 0.00 176.35 175.55 1pj4 s PRO 2567N -0.87 3.45 -0.58 1.29 0.04 -1.26 -4.91 135.00 132.15 1pj4 s PRO 2567Ca 0.47 1.44 -0.27 0.00 0.04 0.00 0.00 61.00 62.68 1pj4 s PRO 2567Cb -0.30 -2.03 -0.02 0.00 0.04 0.00 0.00 34.50 32.19 1pj4 s PRO 2567CO 0.37 -0.74 1.79 0.34 0.04 0.00 0.00 177.00 178.80 1pj4 s ASP 2568N -2.07 5.45 -0.17 6.66 -1.08 -1.26 -4.96 116.67 119.24 1pj4 s ASP 2568Ca 0.69 0.40 -0.04 0.00 -0.52 0.00 0.00 52.55 53.07 1pj4 s ASP 2568Cb -0.20 -2.53 -0.03 0.00 -1.46 0.00 0.00 42.92 38.70 1pj4 s ASP 2568CO 0.27 -2.23 -0.02 -0.69 0.52 0.00 0.00 175.17 173.02 1pj4 s VAL 2569N 8.45 3.97 0.14 1.11 1.01 -1.26 -5.09 120.40 128.72 1pj4 s VAL 2569Ca 0.66 -0.33 -0.24 0.00 0.00 0.00 0.00 61.98 62.07 1pj4 s VAL 2569Cb -0.13 -2.75 0.07 0.00 0.00 0.00 0.00 36.38 33.57 1pj4 s VAL 2569CO 0.22 0.48 0.64 -0.72 0.00 0.00 0.00 175.10 175.72 1pj4 s TYR 2570N 0.49 -0.50 0.12 5.22 -0.85 -1.26 -5.18 117.35 115.38 1pj4 s TYR 2570Ca -0.02 0.30 -0.05 0.00 -0.52 0.00 0.00 57.07 56.78 1pj4 s TYR 2570Cb -0.14 0.56 -0.05 0.00 0.38 0.00 0.00 41.96 42.71 1pj4 s TYR 2570CO 0.02 -0.81 0.35 -2.00 -1.52 0.00 0.00 175.55 171.59 1pj4 s GLU 2571N -3.66 3.60 0.04 -3.49 2.56 -1.26 -5.09 118.70 111.39 1pj4 s GLU 2571Ca 0.02 -0.11 -0.18 0.00 0.00 0.00 0.00 54.97 54.70 1pj4 s GLU 2571Cb -0.01 -2.90 -0.06 0.00 2.00 0.00 0.00 34.13 33.15 1pj4 s GLU 2571CO -0.12 0.51 0.51 -1.58 -0.56 0.00 0.00 175.26 174.02 1pj4 s TRP 2572N -1.59 3.77 -2.00 5.30 0.51 -1.26 -5.36 118.94 118.31 1pj4 s TRP 2572Ca 0.38 1.17 0.13 0.00 -2.12 0.00 0.00 56.10 55.66 1pj4 s TRP 2572Cb -0.12 -2.44 0.78 0.00 -0.81 0.00 0.00 33.47 30.88 1pj4 s TRP 2572CO 0.24 0.58 1.20 -0.35 -0.51 0.00 0.00 176.95 178.11