#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xwe n SER 1509N 0.00 1.36 0.03 1.61 3.41 -1.26 -3.94 113.62 114.83 1xwe n SER 1509Ca 0.00 -1.63 -0.20 0.00 -0.26 0.00 0.00 58.87 56.78 1xwe n SER 1509Cb 0.00 -0.08 -0.14 0.00 -0.26 0.00 0.00 64.21 63.73 1xwe n SER 1509CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 1xwe h HIS 1510N 1.85 0.46 -2.94 7.33 -0.00 -2.06 -3.46 115.15 116.33 1xwe h HIS 1510Ca 0.00 -0.34 -0.60 0.00 -0.00 0.00 0.00 60.37 59.43 1xwe h HIS 1510Cb 0.40 -0.02 -0.04 0.00 -0.00 0.00 0.00 27.41 27.76 1xwe h HIS 1510CO 0.08 1.32 -0.45 0.00 -0.00 0.00 0.00 177.93 178.88 1xwe s MET 1511N -2.41 3.48 0.00 5.26 0.00 -1.25 -4.95 119.30 119.43 1xwe s MET 1511Ca -0.15 -0.37 0.00 0.00 0.00 0.00 0.00 55.69 55.17 1xwe s MET 1511Cb 0.01 -2.98 0.00 0.00 0.00 0.00 0.00 34.83 31.86 1xwe s MET 1511CO 0.80 0.56 0.00 0.00 0.00 0.00 0.00 175.02 176.38 1xwe n ALA 1512N 0.14 0.00 -2.30 3.16 0.00 -1.26 -4.99 120.51 115.25 1xwe n ALA 1512Ca -0.05 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.42 1xwe n ALA 1512Cb 0.51 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.98 1xwe n ALA 1512CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1xwe n ASP 1513N -1.44 0.59 -4.48 0.00 9.92 -1.26 -4.73 116.55 115.16 1xwe n ASP 1513Ca 0.00 -1.99 -0.43 0.00 -0.53 0.00 0.00 54.79 51.83 1xwe n ASP 1513Cb 0.00 -0.25 -0.09 0.00 -0.64 0.00 0.00 41.12 40.13 1xwe n ASP 1513CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1xwe n GLY 1515N 6.44 0.67 3.66 0.00 0.00 -1.26 -1.96 105.19 112.74 1xwe n GLY 1515Ca 0.50 -0.56 -0.59 0.00 0.00 0.00 0.00 46.02 45.37 1xwe n GLY 1515CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1xwe n GLN 1516N -0.77 0.75 -1.91 1.61 7.27 0.12 -3.37 117.38 121.07 1xwe n GLN 1516Ca 0.00 0.27 0.00 0.00 0.07 0.00 0.00 57.00 57.34 1xwe n GLN 1516Cb 0.49 -1.88 0.00 0.00 2.41 0.00 0.00 30.24 31.26 1xwe n GLN 1516CO 0.00 0.00 0.00 -1.33 0.07 0.00 0.00 177.06 175.80 1xwe n MET 1517N 3.88 1.91 -4.38 3.69 2.81 -1.22 -4.61 117.12 119.20 1xwe n MET 1517Ca 0.25 0.00 -0.21 0.00 -1.81 0.00 0.00 57.70 55.92 1xwe n MET 1517Cb 0.10 0.00 -0.10 0.00 -0.71 0.00 0.00 33.22 32.50 1xwe n MET 1517CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 1xwe s GLN 1518N -1.87 1.42 1.16 0.03 -1.52 -1.17 -5.01 119.66 112.70 1xwe s GLN 1518Ca 0.00 -1.58 -0.18 0.00 -1.95 0.00 0.00 55.36 51.64 1xwe s GLN 1518Cb 0.00 -1.40 0.27 0.00 -0.22 0.00 0.00 33.01 31.66 1xwe s GLN 1518CO 0.00 0.26 1.15 -1.21 -0.25 0.00 0.00 175.29 175.24 1xwe s GLU 1519N -3.30 -0.86 0.00 2.91 0.41 -1.26 -4.60 118.70 111.99 1xwe s GLU 1519Ca 0.22 -0.12 0.00 0.00 -0.41 0.00 0.00 54.97 54.67 1xwe s GLU 1519Cb -0.04 -1.64 0.00 0.00 -1.78 0.00 0.00 34.13 30.67 1xwe s GLU 1519CO 0.09 -3.46 0.23 0.39 -0.49 0.00 0.00 175.26 172.02 1xwe n GLU 1520N -4.57 0.00 -3.49 1.61 4.71 -1.26 -4.41 120.64 113.23 1xwe n GLU 1520Ca 0.13 0.00 -0.42 0.00 -0.01 0.00 0.00 57.16 56.86 1xwe n GLU 1520Cb 0.59 -0.72 -0.10 0.00 -1.01 0.00 0.00 31.44 30.21 1xwe n GLU 1520CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 1xwe s LEU 1521N -0.97 5.14 -0.35 -4.62 1.43 -1.26 -4.81 118.68 113.23 1xwe s LEU 1521Ca 0.00 -1.08 0.01 0.00 -1.03 0.00 0.00 54.13 52.04 1xwe s LEU 1521Cb 0.00 -2.12 0.11 0.00 0.03 0.00 0.00 46.19 44.21 1xwe s LEU 1521CO 0.00 -0.49 0.12 -0.62 0.23 0.00 0.00 176.35 175.59 1xwe s ASP 1522N 1.89 4.15 -0.90 2.29 2.15 -1.26 -5.07 116.67 119.93 1xwe s ASP 1522Ca 0.04 -2.02 -0.20 0.00 0.43 0.00 0.00 52.55 50.80 1xwe s ASP 1522Cb -0.21 -1.12 0.11 0.00 -0.30 0.00 0.00 42.92 41.40 1xwe s ASP 1522CO 0.08 -0.37 1.16 -0.76 -0.17 0.00 0.00 175.17 175.11 1xwe s LEU 1523N 1.11 4.64 0.00 -1.34 1.43 -1.26 -3.98 118.68 119.28 1xwe s LEU 1523Ca 0.12 -1.75 0.00 0.00 -1.03 0.00 0.00 54.13 51.47 1xwe s LEU 1523Cb -0.19 -2.44 0.00 0.00 0.03 0.00 0.00 46.19 43.59 1xwe s LEU 1523CO -0.15 -1.21 0.00 1.07 0.23 0.00 0.00 176.35 176.29 1xwe n THR 1524N 5.83 0.00 -3.44 5.49 5.66 -1.26 -5.13 114.28 121.43 1xwe n THR 1524Ca 0.21 0.00 -0.37 0.00 -3.05 0.00 0.00 64.05 60.84 1xwe n THR 1524Cb 0.49 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.20 1xwe n THR 1524CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 1xwe s ILE 1525N 0.00 5.24 0.54 1.09 1.01 -1.26 -5.08 121.20 122.75 1xwe s ILE 1525Ca 0.00 0.67 -0.05 0.00 0.00 0.00 0.00 60.65 61.27 1xwe s ILE 1525Cb 0.00 -3.70 -0.01 0.00 0.01 0.00 0.00 42.46 38.77 1xwe s ILE 1525CO 0.00 0.32 0.84 -0.44 0.00 0.00 0.00 174.94 175.66 1xwe s SER 1526N 0.75 5.80 0.04 3.58 0.01 -1.26 -4.94 113.70 117.68 1xwe s SER 1526Ca 0.19 0.72 -0.31 0.00 1.31 0.00 0.00 55.95 57.85 1xwe s SER 1526Cb -0.14 -1.83 -0.18 0.00 0.21 0.00 0.00 66.02 64.08 1xwe s SER 1526CO 0.07 -0.89 1.42 0.00 0.41 0.00 0.00 173.24 174.25 1xwe h ALA 1527N 0.00 -0.95 -0.08 1.44 0.00 -1.87 -2.84 119.26 114.96 1xwe h ALA 1527Ca -0.46 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.25 1xwe h ALA 1527Cb 1.24 0.37 -0.00 0.00 0.00 0.00 0.00 17.79 19.40 1xwe h ALA 1527CO 0.60 -0.97 0.09 1.05 0.00 0.00 0.00 179.25 180.02 1xwe h GLU 1528N -1.08 0.00 -0.62 0.00 4.11 -1.94 0.19 114.58 115.24 1xwe h GLU 1528Ca -0.10 0.00 0.04 0.00 0.07 0.00 0.00 59.36 59.37 1xwe h GLU 1528Cb 0.75 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.96 1xwe h GLU 1528CO 0.16 0.00 0.37 1.15 0.07 0.00 0.00 179.01 180.76 1xwe h THR 1529N 0.00 1.04 0.00 -1.06 2.02 -1.90 -2.50 112.91 110.52 1xwe h THR 1529Ca 0.04 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 66.97 1xwe h THR 1529Cb 0.21 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 66.89 1xwe h THR 1529CO -0.00 0.13 -1.40 -2.11 0.37 0.00 0.00 175.52 172.51 1xwe n ARG 1530N -4.75 0.34 -0.10 6.66 1.85 -0.84 -4.34 116.66 115.49 1xwe n ARG 1530Ca 0.06 -0.08 -0.09 0.00 -1.00 0.00 0.00 57.85 56.74 1xwe n ARG 1530Cb 0.11 -1.49 0.06 0.00 -1.05 0.00 0.00 32.46 30.08 1xwe n ARG 1530CO 0.00 0.00 0.00 -0.22 -0.01 0.00 0.00 177.63 177.40 1xwe h LYS 1531N 0.00 0.81 0.00 2.89 3.11 -0.44 -2.34 116.57 120.61 1xwe h LYS 1531Ca 0.00 -0.35 0.00 0.00 -2.81 0.00 0.00 60.65 57.49 1xwe h LYS 1531Cb 0.69 -0.03 0.00 0.00 -1.00 0.00 0.00 32.23 31.90 1xwe h LYS 1531CO 0.00 0.98 0.05 1.96 -2.81 0.00 0.00 179.45 179.63 1xwe h GLN 1532N 0.70 0.00 0.00 1.90 4.20 -1.65 0.16 115.11 120.42 1xwe h GLN 1532Ca 0.09 0.00 -0.21 0.00 0.06 0.00 0.00 58.65 58.59 1xwe h GLN 1532Cb 0.79 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.54 1xwe h GLN 1532CO 0.07 0.00 -1.14 1.15 -0.67 0.00 0.00 178.83 178.24 1xwe h THR 1533N 0.00 1.26 -0.00 -0.54 2.02 -1.67 -2.74 112.91 111.23 1xwe h THR 1533Ca 0.00 -2.93 -0.00 0.00 0.77 0.00 0.00 66.41 64.25 1xwe h THR 1533Cb 0.10 2.60 -0.00 0.00 -1.74 0.00 0.00 68.15 69.12 1xwe h THR 1533CO 0.00 0.72 0.00 0.00 0.37 0.00 0.00 175.52 176.61 1xwe h ALA 1534N 1.11 0.00 -0.07 6.16 0.00 -0.65 -2.48 119.26 123.34 1xwe h ALA 1534Ca -0.09 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1xwe h ALA 1534Cb 1.76 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.55 1xwe h ALA 1534CO 0.10 -0.45 0.00 0.00 0.00 0.00 0.00 179.25 178.90 1xwe n LYS 1536N 0.01 2.42 0.34 0.00 4.81 -0.93 -4.86 118.16 119.95 1xwe n LYS 1536Ca 0.18 0.85 0.23 0.00 -0.87 0.00 0.00 58.31 58.70 1xwe n LYS 1536Cb 0.29 -2.53 1.21 0.00 0.02 0.00 0.00 35.03 34.02 1xwe n LYS 1536CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 1xwe h PRO 1537N 3.18 0.00 0.00 1.64 0.13 -1.89 0.40 132.00 135.47 1xwe h PRO 1537Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1xwe h PRO 1537Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1xwe h PRO 1537CO 0.67 0.00 -0.47 1.49 -0.23 0.00 0.00 178.00 179.46 1xwe h GLU 1538N 0.00 0.00 -4.96 0.86 4.81 -1.90 -3.44 114.58 109.96 1xwe h GLU 1538Ca -0.00 0.00 -0.66 0.00 -0.13 0.00 0.00 59.36 58.57 1xwe h GLU 1538Cb 0.02 0.00 -0.28 0.00 0.63 0.00 0.00 28.75 29.11 1xwe h GLU 1538CO 0.00 0.00 -0.72 0.42 -0.73 0.00 0.00 179.01 177.98 1xwe s ILE 1539N -3.20 3.34 -0.01 2.32 -1.09 0.13 -3.60 121.20 119.09 1xwe s ILE 1539Ca 0.06 -0.62 -0.00 0.00 -2.23 0.00 0.00 60.65 57.85 1xwe s ILE 1539Cb 0.11 -2.58 -0.00 0.00 -1.58 0.00 0.00 42.46 38.41 1xwe s ILE 1539CO 0.70 0.34 0.11 0.00 -1.23 0.00 0.00 174.94 174.86 1xwe h ALA 1540N 8.11 -0.11 -2.67 9.38 0.00 -0.79 -3.40 119.26 129.78 1xwe h ALA 1540Ca -0.39 -0.00 -0.57 0.00 0.00 0.00 0.00 54.91 53.95 1xwe h ALA 1540Cb 1.15 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 1xwe h ALA 1540CO 0.60 -0.11 -0.34 1.52 0.00 0.00 0.00 179.25 180.92 1xwe s TYR 1541N -1.27 3.48 -0.31 0.00 -0.85 -0.50 -4.71 117.35 113.20 1xwe s TYR 1541Ca -0.00 0.44 -0.00 0.00 -0.52 0.00 0.00 57.07 56.99 1xwe s TYR 1541Cb 0.00 -1.92 0.14 0.00 0.38 0.00 0.00 41.96 40.55 1xwe s TYR 1541CO 0.00 0.43 0.29 0.00 -1.52 0.00 0.00 175.55 174.75 1xwe s ALA 1542N -1.72 -0.26 0.31 9.51 0.00 -0.82 -1.77 121.76 127.01 1xwe s ALA 1542Ca 0.39 -0.60 -0.12 0.00 0.00 0.00 0.00 51.96 51.63 1xwe s ALA 1542Cb -0.12 -1.79 0.02 0.00 0.00 0.00 0.00 23.12 21.23 1xwe s ALA 1542CO 0.27 -1.80 0.59 1.52 0.00 0.00 0.00 175.76 176.34 1xwe s TYR 1543N 2.11 0.40 0.06 0.00 -0.85 -0.80 -0.65 117.35 117.62 1xwe s TYR 1543Ca 0.11 -0.82 0.05 0.00 -0.52 0.00 0.00 57.07 55.89 1xwe s TYR 1543Cb -0.15 0.35 -0.04 0.00 0.38 0.00 0.00 41.96 42.51 1xwe s TYR 1543CO -0.27 -1.21 -0.06 -1.59 -1.52 0.00 0.00 175.55 170.91 1xwe s LYS 1544N -3.34 2.40 0.25 -3.49 -2.85 -0.95 -1.23 119.74 110.53 1xwe s LYS 1544Ca 0.21 -0.86 0.05 0.00 -1.00 0.00 0.00 55.97 54.37 1xwe s LYS 1544Cb -0.02 -2.44 -0.02 0.00 -2.06 0.00 0.00 37.83 33.28 1xwe s LYS 1544CO 0.12 0.55 0.17 1.33 0.10 0.00 0.00 175.35 177.63 1xwe n VAL 1545N 0.99 0.00 -3.70 1.79 0.24 -0.49 -0.60 118.33 116.55 1xwe n VAL 1545Ca -0.13 -1.69 -0.14 0.00 -2.04 0.00 0.00 64.34 60.33 1xwe n VAL 1545Cb 0.52 0.79 -0.14 0.00 -1.47 0.00 0.00 33.84 33.54 1xwe n VAL 1545CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1xwe s SER 1546N -2.66 0.19 0.28 -1.34 0.15 -0.77 -2.04 113.70 107.52 1xwe s SER 1546Ca 0.25 0.44 -0.29 0.00 0.70 0.00 0.00 55.95 57.04 1xwe s SER 1546Cb 0.01 0.39 -0.10 0.00 -1.71 0.00 0.00 66.02 64.61 1xwe s SER 1546CO 0.17 -0.20 1.26 -0.63 1.20 0.00 0.00 173.24 175.04 1xwe s ILE 1547N 1.80 3.04 0.00 6.45 -1.09 -0.70 -2.02 121.20 128.68 1xwe s ILE 1547Ca -0.03 0.99 0.00 0.00 -2.23 0.00 0.00 60.65 59.37 1xwe s ILE 1547Cb -0.12 -3.63 0.00 0.00 -1.58 0.00 0.00 42.46 37.14 1xwe s ILE 1547CO -0.07 0.21 0.00 0.35 -1.23 0.00 0.00 174.94 174.20 1xwe n THR 1548N 1.39 0.00 -3.72 2.92 -2.24 -1.14 -2.73 114.28 108.75 1xwe n THR 1548Ca 0.01 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.67 1xwe n THR 1548Cb 0.43 -0.53 -0.07 0.00 -2.10 0.00 0.00 70.33 68.06 1xwe n THR 1548CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1xwe s SER 1549N -2.08 -0.22 -0.03 3.42 0.01 0.03 -4.83 113.70 110.01 1xwe s SER 1549Ca 0.00 0.00 0.02 0.00 1.31 0.00 0.00 55.95 57.28 1xwe s SER 1549Cb 0.00 0.37 0.01 0.00 0.21 0.00 0.00 66.02 66.61 1xwe s SER 1549CO 0.00 -0.57 -0.06 -0.63 0.41 0.00 0.00 173.24 172.38 1xwe s ILE 1550N -2.06 0.60 -0.04 1.44 1.01 -1.26 -0.75 121.20 120.14 1xwe s ILE 1550Ca -0.08 -0.24 0.01 0.00 0.00 0.00 0.00 60.65 60.33 1xwe s ILE 1550Cb -0.02 -0.56 0.02 0.00 0.01 0.00 0.00 42.46 41.92 1xwe s ILE 1550CO 0.00 0.20 -0.02 -0.89 0.00 0.00 0.00 174.94 174.24 1xwe s THR 1551N 0.35 0.32 -0.24 2.92 2.01 -0.84 -4.95 115.64 115.21 1xwe s THR 1551Ca -0.05 0.01 -0.10 0.00 0.31 0.00 0.00 61.69 61.87 1xwe s THR 1551Cb -0.09 -0.40 -0.05 0.00 0.01 0.00 0.00 72.50 71.98 1xwe s THR 1551CO 0.00 0.18 0.13 -0.69 -0.69 0.00 0.00 174.62 173.56 1xwe s VAL 1552N 1.05 5.09 -0.46 3.82 1.01 -1.26 -0.35 120.40 129.30 1xwe s VAL 1552Ca -0.09 0.09 0.01 0.00 0.00 0.00 0.00 61.98 61.98 1xwe s VAL 1552Cb -0.14 -3.37 0.12 0.00 0.00 0.00 0.00 36.38 32.99 1xwe s VAL 1552CO -0.01 0.35 0.22 -0.70 0.00 0.00 0.00 175.10 174.95 1xwe s GLU 1553N 1.15 1.95 1.48 2.72 2.12 -0.95 -4.96 118.70 122.21 1xwe s GLU 1553Ca 0.06 -2.17 0.00 0.00 0.36 0.00 0.00 54.97 53.22 1xwe s GLU 1553Cb -0.14 -3.44 0.00 0.00 0.26 0.00 0.00 34.13 30.81 1xwe s GLU 1553CO 0.05 -1.06 0.00 0.09 -0.54 0.00 0.00 175.26 173.80 1xwe n ASN 1554N 3.91 0.00 -0.05 -1.70 5.03 -1.26 -2.35 115.26 118.85 1xwe n ASN 1554Ca 0.03 0.00 -0.08 0.00 0.87 0.00 0.00 54.58 55.40 1xwe n ASN 1554Cb 0.39 0.00 -0.03 0.00 -1.02 0.00 0.00 39.78 39.12 1xwe n ASN 1554CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 1xwe n VAL 1555N 0.00 1.34 -2.11 2.41 0.31 -1.26 -4.95 118.33 114.06 1xwe n VAL 1555Ca 0.00 0.16 -0.42 0.00 -0.01 0.00 0.00 64.34 64.06 1xwe n VAL 1555Cb 0.00 -2.03 -0.03 0.00 -0.91 0.00 0.00 33.84 30.88 1xwe n VAL 1555CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 1xwe s PHE 1556N -2.54 2.18 -0.35 3.52 0.08 -0.99 -3.83 117.98 116.05 1xwe s PHE 1556Ca -0.20 0.42 -0.17 0.00 0.12 0.00 0.00 56.93 57.10 1xwe s PHE 1556Cb 0.04 -3.84 -0.01 0.00 -0.57 0.00 0.00 43.02 38.64 1xwe s PHE 1556CO 0.28 -3.26 0.44 0.08 -0.10 0.00 0.00 175.22 172.67 1xwe s VAL 1557N 4.10 5.09 0.50 -0.44 1.01 -0.86 -2.25 120.40 127.55 1xwe s VAL 1557Ca 0.69 0.19 -0.06 0.00 0.00 0.00 0.00 61.98 62.81 1xwe s VAL 1557Cb -0.30 -3.90 -0.03 0.00 0.00 0.00 0.00 36.38 32.15 1xwe s VAL 1557CO 0.26 -0.17 0.81 -0.54 0.00 0.00 0.00 175.10 175.47 1xwe s LYS 1558N 2.22 3.51 -0.14 2.72 3.01 0.53 -1.71 119.74 129.87 1xwe s LYS 1558Ca 0.15 0.23 -0.04 0.00 -1.01 0.00 0.00 55.97 55.30 1xwe s LYS 1558Cb -0.16 -2.34 0.05 0.00 -1.01 0.00 0.00 37.83 34.37 1xwe s LYS 1558CO 0.13 -0.27 0.08 0.71 0.51 0.00 0.00 175.35 176.51 1xwe s TYR 1559N -2.79 0.24 -0.63 3.18 1.51 0.14 -1.99 117.35 117.01 1xwe s TYR 1559Ca 0.48 -0.23 -0.24 0.00 -1.01 0.00 0.00 57.07 56.07 1xwe s TYR 1559Cb -0.10 -0.67 0.05 0.00 -0.11 0.00 0.00 41.96 41.12 1xwe s TYR 1559CO 0.46 -0.45 1.03 0.15 -1.11 0.00 0.00 175.55 175.63 1xwe s LYS 1560N 2.12 3.24 0.37 -0.62 -0.14 0.07 -1.74 119.74 123.04 1xwe s LYS 1560Ca 0.02 -0.43 0.01 0.00 -1.36 0.00 0.00 55.97 54.21 1xwe s LYS 1560Cb -0.15 -4.14 -0.00 0.00 -1.68 0.00 0.00 37.83 31.86 1xwe s LYS 1560CO -0.08 -1.74 0.03 0.00 -0.76 0.00 0.00 175.35 172.81 1xwe n ALA 1561N 7.96 0.36 -3.71 5.17 0.00 -0.93 -0.79 120.51 128.58 1xwe n ALA 1561Ca 0.00 -1.71 -0.20 0.00 0.00 0.00 0.00 53.44 51.53 1xwe n ALA 1561Cb 0.47 0.99 -0.17 0.00 0.00 0.00 0.00 19.45 20.74 1xwe n ALA 1561CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1xwe s THR 1562N -2.50 0.30 0.32 0.00 2.01 -0.85 -2.90 115.64 112.01 1xwe s THR 1562Ca 0.04 0.09 -0.30 0.00 0.31 0.00 0.00 61.69 61.84 1xwe s THR 1562Cb 0.00 -0.42 -0.11 0.00 0.01 0.00 0.00 72.50 71.98 1xwe s THR 1562CO 0.03 0.21 1.58 -0.11 -0.69 0.00 0.00 174.62 175.64 1xwe n LEU 1563N 4.63 4.53 -0.12 4.42 0.00 -0.92 -1.85 117.00 127.69 1xwe n LEU 1563Ca -0.16 1.17 -0.26 0.00 0.00 0.00 0.00 56.01 56.75 1xwe n LEU 1563Cb 0.50 -1.61 -0.11 0.00 0.00 0.00 0.00 43.42 42.21 1xwe n LEU 1563CO 0.16 0.19 -1.11 0.18 0.00 0.00 0.00 177.39 176.82 1xwe n LEU 1564N 1.76 2.01 -3.66 -1.96 4.77 0.23 -2.53 117.00 117.62 1xwe n LEU 1564Ca 0.07 0.33 -0.07 0.00 -0.03 0.00 0.00 56.01 56.31 1xwe n LEU 1564Cb 0.37 -0.89 -0.08 0.00 -2.33 0.00 0.00 43.42 40.50 1xwe n LEU 1564CO 0.64 0.51 0.22 -0.62 -1.33 0.00 0.00 177.39 176.80 1xwe s ASP 1565N -7.21 -0.78 -0.45 -1.43 -1.08 -1.02 -4.09 116.67 100.61 1xwe s ASP 1565Ca -0.35 1.29 -0.24 0.00 -0.52 0.00 0.00 52.55 52.74 1xwe s ASP 1565Cb 0.11 1.36 0.02 0.00 -1.46 0.00 0.00 42.92 42.95 1xwe s ASP 1565CO 0.54 -0.22 0.82 0.27 0.52 0.00 0.00 175.17 177.10 1xwe s ILE 1566N 1.88 4.61 -0.59 4.11 -4.36 -1.26 -2.23 121.20 123.36 1xwe s ILE 1566Ca -0.08 0.55 0.24 0.00 -0.26 0.00 0.00 60.65 61.10 1xwe s ILE 1566Cb -0.08 -4.34 0.15 0.00 1.25 0.00 0.00 42.46 39.44 1xwe s ILE 1566CO -0.17 -0.72 1.45 1.88 0.24 0.00 0.00 174.94 177.62 1xwe h TYR 1567N 8.96 0.00 -1.16 1.37 -1.99 -1.51 -3.41 116.97 119.24 1xwe h TYR 1567Ca -0.25 0.00 -0.13 0.00 2.00 0.00 0.00 58.73 60.35 1xwe h TYR 1567Cb 1.08 0.00 -0.20 0.00 2.00 0.00 0.00 36.73 39.61 1xwe h TYR 1567CO 0.82 0.00 -0.50 0.21 -0.00 0.00 0.00 178.16 178.68 1xwe s LYS 1568N -3.18 0.86 0.10 4.88 2.36 0.17 -4.80 119.74 120.13 1xwe s LYS 1568Ca 0.07 -0.56 -0.27 0.00 -2.55 0.00 0.00 55.97 52.66 1xwe s LYS 1568Cb 0.11 -0.08 -0.15 0.00 -1.05 0.00 0.00 37.83 36.67 1xwe s LYS 1568CO 0.69 -1.23 0.60 2.41 1.55 0.00 0.00 175.35 179.37 1xwe n THR 1569N 4.03 1.00 0.00 3.43 -1.04 -1.26 -1.94 114.28 118.50 1xwe n THR 1569Ca 0.13 -0.25 0.00 0.00 -2.04 0.00 0.00 64.05 61.89 1xwe n THR 1569Cb 0.55 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.06 1xwe n THR 1569CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1xwe n GLY 1570N 1.48 -1.23 0.00 3.41 0.00 -1.26 -4.58 105.19 103.00 1xwe n GLY 1570Ca 0.15 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.84 1xwe n GLY 1570CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xwe n GLU 1571N 0.00 2.92 -3.37 1.61 1.02 -1.26 -4.83 120.64 116.73 1xwe n GLU 1571Ca 0.00 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.79 1xwe n GLU 1571Cb 0.00 -0.73 -0.05 0.00 -0.02 0.00 0.00 31.44 30.64 1xwe n GLU 1571CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1xwe n ALA 1572N -0.77 4.33 -2.85 0.62 0.00 -1.26 -4.90 120.51 115.68 1xwe n ALA 1572Ca 0.00 -4.73 -0.01 0.00 0.00 0.00 0.00 53.44 48.71 1xwe n ALA 1572Cb 0.00 -1.60 -0.00 0.00 0.00 0.00 0.00 19.45 17.84 1xwe n ALA 1572CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1xwe n VAL 1573N 1.46 -9.01 -4.35 0.00 0.31 -1.26 -4.94 118.33 100.55 1xwe n VAL 1573Ca 0.26 1.50 -0.20 0.00 -0.01 0.00 0.00 64.34 65.89 1xwe n VAL 1573Cb 0.37 -5.67 -0.13 0.00 -0.91 0.00 0.00 33.84 27.50 1xwe n VAL 1573CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1xwe s ALA 1574N -1.32 1.26 0.13 3.52 0.00 -1.26 -4.93 121.76 119.15 1xwe s ALA 1574Ca -0.03 -0.90 -0.19 0.00 0.00 0.00 0.00 51.96 50.85 1xwe s ALA 1574Cb 0.00 -0.19 0.05 0.00 0.00 0.00 0.00 23.12 22.98 1xwe s ALA 1574CO 0.54 0.23 0.48 -1.21 0.00 0.00 0.00 175.76 175.81 1xwe s GLU 1575N -1.28 1.14 0.00 0.00 0.41 -1.26 -4.76 118.70 112.95 1xwe s GLU 1575Ca 0.02 -0.59 0.00 0.00 -0.41 0.00 0.00 54.97 53.99 1xwe s GLU 1575Cb -0.08 0.51 0.00 0.00 -1.78 0.00 0.00 34.13 32.78 1xwe s GLU 1575CO 0.02 -0.46 1.81 0.36 -0.49 0.00 0.00 175.26 176.49 1xwe n LYS 1576N -0.23 0.91 0.00 1.61 2.85 -1.26 -2.84 118.16 119.20 1xwe n LYS 1576Ca -0.17 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.09 1xwe n LYS 1576Cb 0.64 -1.04 0.00 0.00 -0.65 0.00 0.00 35.03 33.97 1xwe n LYS 1576CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1xwe n ASP 1577N 1.53 0.00 -2.27 -5.58 2.03 -1.05 -4.03 116.55 107.18 1xwe n ASP 1577Ca 0.00 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.30 1xwe n ASP 1577Cb 0.46 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 40.87 1xwe n ASP 1577CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1xwe n SER 1578N 0.00 -0.40 -4.90 1.67 3.41 -1.13 -4.66 113.62 107.60 1xwe n SER 1578Ca 0.00 -0.83 -0.32 0.00 -0.26 0.00 0.00 58.87 57.45 1xwe n SER 1578Cb 0.00 -0.05 -0.05 0.00 -0.26 0.00 0.00 64.21 63.86 1xwe n SER 1578CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1xwe s GLU 1579N -3.13 3.54 -0.02 4.33 2.12 -1.26 -2.17 118.70 122.11 1xwe s GLU 1579Ca 0.03 -0.21 -0.09 0.00 0.36 0.00 0.00 54.97 55.07 1xwe s GLU 1579Cb -0.00 -3.00 0.01 0.00 0.26 0.00 0.00 34.13 31.40 1xwe s GLU 1579CO 0.02 0.58 0.20 0.96 -0.54 0.00 0.00 175.26 176.48 1xwe s ILE 1580N -1.47 0.05 -0.29 -3.70 -4.36 -1.14 -4.83 121.20 105.45 1xwe s ILE 1580Ca 0.34 -0.45 -0.03 0.00 -0.26 0.00 0.00 60.65 60.25 1xwe s ILE 1580Cb -0.13 -0.44 0.10 0.00 1.25 0.00 0.00 42.46 43.24 1xwe s ILE 1580CO 0.22 -0.25 0.11 -0.89 0.24 0.00 0.00 174.94 174.38 1xwe s THR 1581N -0.96 0.35 0.39 8.37 2.01 -1.26 -2.18 115.64 122.37 1xwe s THR 1581Ca -0.10 -1.02 -0.14 0.00 0.31 0.00 0.00 61.69 60.74 1xwe s THR 1581Cb -0.05 -1.27 -0.08 0.00 0.01 0.00 0.00 72.50 71.11 1xwe s THR 1581CO 0.02 -0.69 0.80 -0.36 -0.69 0.00 0.00 174.62 173.70 1xwe s PHE 1582N 1.89 3.42 -0.02 4.92 0.08 -0.71 -1.52 117.98 126.04 1xwe s PHE 1582Ca 0.09 1.20 0.02 0.00 0.12 0.00 0.00 56.93 58.36 1xwe s PHE 1582Cb -0.17 -2.55 0.00 0.00 -0.57 0.00 0.00 43.02 39.74 1xwe s PHE 1582CO -0.31 -0.07 -0.05 0.96 -0.10 0.00 0.00 175.22 175.65 1xwe s ILE 1583N -2.26 0.47 0.03 0.64 -4.36 -0.32 0.26 121.20 115.67 1xwe s ILE 1583Ca 0.54 -0.20 0.04 0.00 -0.26 0.00 0.00 60.65 60.77 1xwe s ILE 1583Cb -0.10 -0.43 -0.02 0.00 1.25 0.00 0.00 42.46 43.16 1xwe s ILE 1583CO 0.25 0.16 -0.11 -0.75 0.24 0.00 0.00 174.94 174.73 1xwe s LYS 1584N 0.19 0.75 -0.04 0.37 2.20 -0.69 -2.51 119.74 120.01 1xwe s LYS 1584Ca -0.02 -0.66 -0.28 0.00 -0.36 0.00 0.00 55.97 54.65 1xwe s LYS 1584Cb -0.06 -0.69 -0.03 0.00 -1.51 0.00 0.00 37.83 35.54 1xwe s LYS 1584CO -0.00 0.17 0.88 0.15 -0.36 0.00 0.00 175.35 176.19 1xwe s LYS 1585N -1.08 4.49 0.00 4.03 3.01 -1.26 -2.03 119.74 126.90 1xwe s LYS 1585Ca -0.01 1.22 0.08 0.00 -1.01 0.00 0.00 55.97 56.25 1xwe s LYS 1585Cb -0.07 -3.47 0.38 0.00 -1.01 0.00 0.00 37.83 33.66 1xwe s LYS 1585CO 0.01 -0.06 1.22 1.55 0.51 0.00 0.00 175.35 178.59 1xwe n VAL 1586N 3.97 1.20 1.22 3.17 3.14 -1.25 -1.43 118.33 128.36 1xwe n VAL 1586Ca 0.04 0.30 0.13 0.00 -2.96 0.00 0.00 64.34 61.85 1xwe n VAL 1586Cb 0.51 -1.16 0.47 0.00 -1.06 0.00 0.00 33.84 32.60 1xwe n VAL 1586CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 1xwe n THR 1587N -1.42 0.00 -1.19 1.55 -2.24 -1.26 -4.90 114.28 104.82 1xwe n THR 1587Ca 0.03 -0.05 -0.24 0.00 -2.27 0.00 0.00 64.05 61.51 1xwe n THR 1587Cb 0.09 0.06 0.20 0.00 -2.10 0.00 0.00 70.33 68.57 1xwe n THR 1587CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xwe n THR 1589N -4.17 0.00 -0.21 0.00 -1.04 -1.24 -4.89 114.28 102.73 1xwe n THR 1589Ca 0.13 0.00 0.10 0.00 -2.04 0.00 0.00 64.05 62.24 1xwe n THR 1589Cb 0.48 0.00 0.26 0.00 -1.82 0.00 0.00 70.33 69.25 1xwe n THR 1589CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 1xwe n ASN 1590N -0.18 3.58 -4.03 8.00 4.05 -1.04 -4.87 115.26 120.78 1xwe n ASN 1590Ca 0.00 -1.98 -0.31 0.00 0.45 0.00 0.00 54.58 52.73 1xwe n ASN 1590Cb 0.00 -0.38 -0.16 0.00 1.23 0.00 0.00 39.78 40.47 1xwe n ASN 1590CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1xwe s ALA 1591N -1.07 2.17 0.00 5.20 0.00 -0.83 -3.46 121.76 123.78 1xwe s ALA 1591Ca 0.40 -1.33 0.00 0.00 0.00 0.00 0.00 51.96 51.04 1xwe s ALA 1591Cb 0.21 -1.33 -0.00 0.00 0.00 0.00 0.00 23.12 22.00 1xwe s ALA 1591CO 0.28 -0.82 -0.00 -1.21 0.00 0.00 0.00 175.76 174.01 1xwe s GLU 1592N 1.32 0.04 0.35 0.00 2.02 -1.26 -4.99 118.70 116.17 1xwe s GLU 1592Ca -0.02 -0.04 0.05 0.00 0.02 0.00 0.00 54.97 54.98 1xwe s GLU 1592Cb -0.16 -0.02 -0.07 0.00 0.10 0.00 0.00 34.13 33.98 1xwe s GLU 1592CO -0.08 0.00 0.04 -0.51 0.02 0.00 0.00 175.26 174.73 1xwe s LEU 1593N -0.07 2.39 -0.02 1.80 1.43 -1.26 -5.11 118.68 117.84 1xwe s LEU 1593Ca -0.01 -1.37 -0.09 0.00 -1.03 0.00 0.00 54.13 51.64 1xwe s LEU 1593Cb -0.01 -0.54 0.01 0.00 0.03 0.00 0.00 46.19 45.68 1xwe s LEU 1593CO -0.00 -0.55 0.19 0.54 0.23 0.00 0.00 176.35 176.76 1xwe s VAL 1594N -3.12 0.06 -0.15 -1.59 0.11 -1.26 -5.14 120.40 109.31 1xwe s VAL 1594Ca 0.36 -0.46 -0.19 0.00 -2.93 0.00 0.00 61.98 58.76 1xwe s VAL 1594Cb 0.09 -0.43 -0.04 0.00 -1.53 0.00 0.00 36.38 34.47 1xwe s VAL 1594CO 0.16 -0.25 0.54 -0.75 -3.33 0.00 0.00 175.10 171.46 1xwe s LYS 1595N -0.97 4.29 0.00 1.54 2.20 -1.26 -4.03 119.74 121.52 1xwe s LYS 1595Ca -0.10 0.51 0.00 0.00 -0.36 0.00 0.00 55.97 56.02 1xwe s LYS 1595Cb -0.05 -3.49 0.00 0.00 -1.51 0.00 0.00 37.83 32.77 1xwe s LYS 1595CO 0.02 0.00 0.00 0.41 -0.36 0.00 0.00 175.35 175.42 1xwe n GLY 1596N 3.50 1.85 4.01 5.54 0.00 -1.11 -5.00 105.19 113.98 1xwe n GLY 1596Ca -0.05 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.77 1xwe n GLY 1596CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xwe s ARG 1597N -0.13 2.23 0.12 1.61 0.52 -1.26 -4.87 118.95 117.18 1xwe s ARG 1597Ca 0.00 -1.34 0.09 0.00 -0.52 0.00 0.00 55.73 53.96 1xwe s ARG 1597Cb 0.00 -2.56 -0.04 0.00 0.52 0.00 0.00 34.95 32.87 1xwe s ARG 1597CO 0.00 -0.93 -0.19 -0.65 0.02 0.00 0.00 175.30 173.55 1xwe s GLN 1598N -4.77 1.73 -0.02 3.54 -0.21 -1.26 -1.73 119.66 116.94 1xwe s GLN 1598Ca 0.62 -1.21 -0.04 0.00 0.02 0.00 0.00 55.36 54.75 1xwe s GLN 1598Cb -0.07 -2.08 0.00 0.00 1.00 0.00 0.00 33.01 31.87 1xwe s GLN 1598CO 0.40 0.47 0.09 0.71 -2.12 0.00 0.00 175.29 174.84 1xwe s TYR 1599N -1.14 0.00 -0.25 0.91 1.51 -0.86 -2.27 117.35 115.24 1xwe s TYR 1599Ca 0.17 0.00 -0.17 0.00 -1.01 0.00 0.00 57.07 56.07 1xwe s TYR 1599Cb -0.10 -0.03 -0.03 0.00 -0.11 0.00 0.00 41.96 41.68 1xwe s TYR 1599CO 0.10 -0.15 0.45 -1.17 -1.11 0.00 0.00 175.55 173.67 1xwe s LEU 1600N -0.67 4.07 -0.12 -1.29 2.96 -0.30 -1.40 118.68 121.93 1xwe s LEU 1600Ca -0.08 0.46 0.02 0.00 -0.22 0.00 0.00 54.13 54.31 1xwe s LEU 1600Cb -0.05 -2.57 -0.01 0.00 0.50 0.00 0.00 46.19 44.07 1xwe s LEU 1600CO 0.00 -0.22 -0.19 -0.63 -1.32 0.00 0.00 176.35 174.00 1xwe s ILE 1601N 2.06 2.53 -0.17 6.68 1.09 -0.36 -1.78 121.20 131.25 1xwe s ILE 1601Ca 0.19 -0.85 -0.04 0.00 -1.10 0.00 0.00 60.65 58.85 1xwe s ILE 1601Cb -0.16 -2.02 0.07 0.00 -1.06 0.00 0.00 42.46 39.29 1xwe s ILE 1601CO 0.09 0.54 0.13 -0.04 -0.10 0.00 0.00 174.94 175.56 1xwe s MET 1602N 0.40 0.09 0.29 2.79 -1.94 -0.83 -1.91 119.30 118.19 1xwe s MET 1602Ca -0.14 0.06 -0.11 0.00 -1.71 0.00 0.00 55.69 53.79 1xwe s MET 1602Cb -0.17 -1.50 0.04 0.00 2.01 0.00 0.00 34.83 35.22 1xwe s MET 1602CO 0.07 -0.63 0.58 0.41 -0.01 0.00 0.00 175.02 175.44 1xwe n GLY 1603N 5.29 1.27 3.62 -0.03 0.00 -0.73 -2.97 105.19 111.65 1xwe n GLY 1603Ca -0.06 -1.20 -0.30 0.00 0.00 0.00 0.00 46.02 44.46 1xwe n GLY 1603CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xwe s LYS 1604N -2.08 0.46 0.59 1.61 2.47 -1.24 -0.18 119.74 121.38 1xwe s LYS 1604Ca 0.12 1.23 -0.18 0.00 -1.56 0.00 0.00 55.97 55.58 1xwe s LYS 1604Cb -0.04 -1.69 -0.09 0.00 -1.46 0.00 0.00 37.83 34.56 1xwe s LYS 1604CO 0.09 -2.91 0.41 -1.91 0.16 0.00 0.00 175.35 171.20 1xwe n GLU 1605N -4.39 0.40 -0.96 4.03 2.13 -1.26 -4.57 120.64 116.01 1xwe n GLU 1605Ca 0.08 0.16 -0.30 0.00 0.66 0.00 0.00 57.16 57.76 1xwe n GLU 1605Cb 0.53 -1.61 0.24 0.00 0.27 0.00 0.00 31.44 30.87 1xwe n GLU 1605CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1xwe s ALA 1606N -1.79 0.38 0.96 4.31 0.00 -1.26 -5.00 121.76 119.36 1xwe s ALA 1606Ca 0.66 -0.88 -0.16 0.00 0.00 0.00 0.00 51.96 51.59 1xwe s ALA 1606Cb -0.43 -2.91 0.19 0.00 0.00 0.00 0.00 23.12 19.96 1xwe s ALA 1606CO 0.57 -3.72 1.28 -0.51 0.00 0.00 0.00 175.76 173.38 1xwe s LEU 1607N -7.07 2.49 -0.33 0.00 1.02 -0.64 -4.93 118.68 109.23 1xwe s LEU 1607Ca 0.70 0.39 0.03 0.00 0.02 0.00 0.00 54.13 55.27 1xwe s LEU 1607Cb -0.11 -2.48 0.16 0.00 0.02 0.00 0.00 46.19 43.78 1xwe s LEU 1607CO 0.57 -2.73 0.42 -1.10 0.02 0.00 0.00 176.35 173.52 1xwe s GLN 1608N -5.79 0.52 -0.00 1.70 -0.21 -1.26 -4.24 119.66 110.38 1xwe s GLN 1608Ca 0.72 -0.23 0.21 0.00 0.02 0.00 0.00 55.36 56.08 1xwe s GLN 1608Cb -0.06 -0.41 -0.24 0.00 1.00 0.00 0.00 33.01 33.30 1xwe s GLN 1608CO 0.53 -1.10 0.85 -0.89 -2.12 0.00 0.00 175.29 172.56 1xwe n ILE 1609N 4.92 0.00 -3.05 1.08 2.08 -0.96 -4.97 119.36 118.47 1xwe n ILE 1609Ca 0.05 -0.05 -0.27 0.00 0.56 0.00 0.00 62.75 63.04 1xwe n ILE 1609Cb 0.49 0.90 0.02 0.00 -0.75 0.00 0.00 39.64 40.30 1xwe n ILE 1609CO 0.00 0.00 0.00 2.29 0.56 0.00 0.00 176.55 179.40 1xwe n LYS 1610N -1.57 -1.35 -2.79 0.38 2.85 -1.26 -4.73 118.16 109.68 1xwe n LYS 1610Ca 0.03 0.91 -0.43 0.00 -1.05 0.00 0.00 58.31 57.78 1xwe n LYS 1610Cb 0.35 -1.53 -0.04 0.00 -0.65 0.00 0.00 35.03 33.17 1xwe n LYS 1610CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 177.40 176.88 1xwe s TYR 1611N -1.55 3.02 0.00 5.58 5.04 -0.75 -4.81 117.35 123.88 1xwe s TYR 1611Ca 0.21 0.66 0.00 0.00 -2.44 0.00 0.00 57.07 55.50 1xwe s TYR 1611Cb -0.02 -3.80 0.00 0.00 0.35 0.00 0.00 41.96 38.49 1xwe s TYR 1611CO 0.66 -0.93 0.00 0.09 -1.34 0.00 0.00 175.55 174.02 1xwe n ASN 1612N 6.96 -1.85 0.29 4.32 5.03 -1.26 -2.21 115.26 126.54 1xwe n ASN 1612Ca 0.07 0.00 0.16 0.00 0.87 0.00 0.00 54.58 55.68 1xwe n ASN 1612Cb 0.48 0.00 0.86 0.00 -1.02 0.00 0.00 39.78 40.10 1xwe n ASN 1612CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1xwe h ALA 1613N -0.99 1.15 -1.02 5.41 0.00 -2.03 -3.42 119.26 118.37 1xwe h ALA 1613Ca 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 54.91 54.44 1xwe h ALA 1613Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 17.79 17.82 1xwe h ALA 1613CO 0.00 -0.15 -0.13 0.45 0.00 0.00 0.00 179.25 179.42 1xwe s SER 1614N -4.48 5.22 0.02 0.00 0.15 -0.94 -5.13 113.70 108.55 1xwe s SER 1614Ca -0.04 -0.69 0.09 0.00 0.70 0.00 0.00 55.95 56.01 1xwe s SER 1614Cb 0.09 -0.00 -0.03 0.00 -1.71 0.00 0.00 66.02 64.37 1xwe s SER 1614CO 0.29 -1.21 -0.26 -0.36 1.20 0.00 0.00 173.24 172.91 1xwe s PHE 1615N -2.61 2.26 -0.43 3.44 0.40 -1.26 -1.80 117.98 117.98 1xwe s PHE 1615Ca 0.60 -0.42 -0.11 0.00 -0.60 0.00 0.00 56.93 56.41 1xwe s PHE 1615Cb -0.07 -1.39 0.08 0.00 0.51 0.00 0.00 43.02 42.15 1xwe s PHE 1615CO 0.38 0.06 0.30 0.50 0.70 0.00 0.00 175.22 177.16 1xwe s ARG 1616N -1.00 2.71 -0.19 0.44 3.52 -1.26 -4.69 118.95 118.48 1xwe s ARG 1616Ca 0.11 -1.43 -0.05 0.00 -0.13 0.00 0.00 55.73 54.22 1xwe s ARG 1616Cb -0.10 -3.88 -0.03 0.00 -1.56 0.00 0.00 34.95 29.38 1xwe s ARG 1616CO 0.01 -0.98 0.01 0.71 -0.81 0.00 0.00 175.30 174.24 1xwe s TYR 1617N 1.49 3.07 0.04 5.12 2.02 -1.26 -2.26 117.35 125.58 1xwe s TYR 1617Ca 0.03 -0.33 -0.00 0.00 -0.37 0.00 0.00 57.07 56.40 1xwe s TYR 1617Cb -0.23 -2.07 -0.03 0.00 -0.40 0.00 0.00 41.96 39.23 1xwe s TYR 1617CO 0.03 -0.14 -0.04 0.96 -1.57 0.00 0.00 175.55 174.80 1xwe s ILE 1618N 0.81 0.26 -0.11 2.71 -4.36 -1.26 -4.63 121.20 114.61 1xwe s ILE 1618Ca 0.01 -1.48 -0.00 0.00 -0.26 0.00 0.00 60.65 58.92 1xwe s ILE 1618Cb -0.14 -1.06 -0.02 0.00 1.25 0.00 0.00 42.46 42.49 1xwe s ILE 1618CO 0.02 -0.78 -0.11 -0.31 0.24 0.00 0.00 174.94 174.00 1xwe s TYR 1619N -2.90 2.84 1.09 1.37 1.51 -0.58 -1.63 117.35 119.06 1xwe s TYR 1619Ca -0.01 -0.43 -0.17 0.00 -1.01 0.00 0.00 57.07 55.44 1xwe s TYR 1619Cb 0.01 -1.81 0.24 0.00 -0.11 0.00 0.00 41.96 40.28 1xwe s TYR 1619CO -0.06 -0.06 1.19 -1.25 -1.11 0.00 0.00 175.55 174.26 1xwe s PRO 1620N 0.05 -0.31 0.00 -1.71 0.04 -1.26 -1.17 135.00 130.64 1xwe s PRO 1620Ca -0.04 -0.14 0.06 0.00 0.04 0.00 0.00 61.00 60.92 1xwe s PRO 1620Cb -0.14 -1.71 0.11 0.00 0.04 0.00 0.00 34.50 32.79 1xwe s PRO 1620CO 0.04 -3.09 0.95 1.28 0.04 0.00 0.00 177.00 176.22 1xwe n LEU 1621N -4.31 0.16 0.00 -3.56 4.77 -1.04 -4.60 117.00 108.42 1xwe n LEU 1621Ca 0.13 -1.33 0.00 0.00 -0.03 0.00 0.00 56.01 54.78 1xwe n LEU 1621Cb 0.59 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.68 1xwe n LEU 1621CO 0.47 0.55 0.00 -0.90 -1.33 0.00 0.00 177.39 176.18 1xwe n ASP 1622N 0.12 -0.98 -0.17 -1.43 5.75 -1.26 -4.25 116.55 114.32 1xwe n ASP 1622Ca -0.01 -0.29 -0.08 0.00 -0.01 0.00 0.00 54.79 54.41 1xwe n ASP 1622Cb 0.78 0.00 0.02 0.00 -1.03 0.00 0.00 41.12 40.88 1xwe n ASP 1622CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 1xwe h SER 1623N -0.98 0.64 -0.43 -1.12 4.64 -1.86 -2.26 113.55 112.18 1xwe h SER 1623Ca 0.00 -0.10 0.10 0.00 -0.47 0.00 0.00 61.79 61.31 1xwe h SER 1623Cb 0.00 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 61.91 1xwe h SER 1623CO 0.00 0.56 0.30 0.25 -0.87 0.00 0.00 176.83 177.07 1xwe h LEU 1624N 0.67 0.12 -9.20 5.97 7.12 -1.91 -3.40 115.31 114.69 1xwe h LEU 1624Ca 0.18 0.00 -0.55 0.00 0.13 0.00 0.00 57.88 57.64 1xwe h LEU 1624Cb 0.07 -0.02 0.00 0.00 -0.53 0.00 0.00 40.66 40.18 1xwe h LEU 1624CO -0.03 0.07 1.28 -0.89 -0.13 0.00 0.00 178.44 178.74 1xwe s THR 1625N -5.15 3.16 -0.40 1.05 2.01 -0.85 -4.90 115.64 110.57 1xwe s THR 1625Ca -0.06 0.19 -0.24 0.00 0.31 0.00 0.00 61.69 61.89 1xwe s THR 1625Cb 0.19 -3.15 0.02 0.00 0.01 0.00 0.00 72.50 69.56 1xwe s THR 1625CO 0.72 -0.05 0.86 0.86 -0.69 0.00 0.00 174.62 176.32 1xwe s TRP 1626N 5.60 3.05 -0.07 4.92 -0.11 -1.16 -4.80 118.94 126.37 1xwe s TRP 1626Ca 0.88 0.54 0.03 0.00 1.22 0.00 0.00 56.10 58.77 1xwe s TRP 1626Cb -0.37 -3.63 0.01 0.00 -1.50 0.00 0.00 33.47 27.98 1xwe s TRP 1626CO 0.37 -0.87 -0.15 0.42 -4.62 0.00 0.00 176.95 172.10 1xwe s ILE 1627N 3.38 1.36 -0.12 5.86 1.01 -1.25 -1.96 121.20 129.48 1xwe s ILE 1627Ca 0.35 -0.61 -0.03 0.00 0.00 0.00 0.00 60.65 60.35 1xwe s ILE 1627Cb -0.12 -1.21 0.05 0.00 0.01 0.00 0.00 42.46 41.18 1xwe s ILE 1627CO 0.20 0.40 0.06 -0.70 0.00 0.00 0.00 174.94 174.90 1xwe s GLU 1628N 0.54 0.19 0.18 2.79 2.56 -0.73 -3.03 118.70 121.19 1xwe s GLU 1628Ca -0.15 0.04 -0.33 0.00 0.00 0.00 0.00 54.97 54.53 1xwe s GLU 1628Cb -0.16 -1.34 -0.14 0.00 2.00 0.00 0.00 34.13 34.49 1xwe s GLU 1628CO 0.05 -0.51 1.43 0.98 -0.56 0.00 0.00 175.26 176.65 1xwe n TYR 1629N 5.23 1.99 -3.37 5.30 9.36 -1.26 -1.15 117.16 133.27 1xwe n TYR 1629Ca -0.06 0.44 -0.44 0.00 3.32 0.00 0.00 57.90 61.15 1xwe n TYR 1629Cb 0.49 -2.45 -0.08 0.00 -0.63 0.00 0.00 39.34 36.68 1xwe n TYR 1629CO 0.00 0.00 0.00 -0.46 0.22 0.00 0.00 176.86 176.62 1xwe s TRP 1630N 0.37 3.22 -0.58 2.98 -0.11 -0.96 -4.87 118.94 119.00 1xwe s TRP 1630Ca 0.75 -0.86 -0.33 0.00 1.22 0.00 0.00 56.10 56.88 1xwe s TRP 1630Cb -0.73 -3.16 -0.14 0.00 -1.50 0.00 0.00 33.47 27.93 1xwe s TRP 1630CO 0.45 -0.80 2.37 -2.30 -4.62 0.00 0.00 176.95 172.05 1xwe n PRO 1631N 5.30 0.64 -0.02 5.86 -0.02 -1.26 -4.56 135.00 140.93 1xwe n PRO 1631Ca -0.12 0.11 -0.07 0.00 -2.02 0.00 0.00 63.50 61.41 1xwe n PRO 1631Cb 0.44 -2.28 0.12 0.00 -0.02 0.00 0.00 33.50 31.76 1xwe n PRO 1631CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1xwe h ARG 1632N 13.35 0.60 -6.80 -0.52 9.65 -1.95 -3.44 114.38 125.28 1xwe h ARG 1632Ca -0.18 -0.28 -0.50 0.00 -1.10 0.00 0.00 59.98 57.92 1xwe h ARG 1632Cb 1.32 -0.01 0.01 0.00 -1.39 0.00 0.00 29.97 29.90 1xwe h ARG 1632CO 1.16 0.86 0.45 -0.51 2.80 0.00 0.00 179.97 184.73 1xwe s ASP 1633N -6.83 7.34 -0.43 -3.80 1.11 -1.26 -5.02 116.67 107.79 1xwe s ASP 1633Ca -0.08 2.20 0.05 0.00 0.18 0.00 0.00 52.55 54.90 1xwe s ASP 1633Cb 0.13 -2.62 0.17 0.00 1.07 0.00 0.00 42.92 41.67 1xwe s ASP 1633CO 0.82 -0.08 0.50 0.42 1.18 0.00 0.00 175.17 178.01 1xwe s THR 1634N -1.18 -0.42 0.63 -1.27 -4.23 -1.26 -4.81 115.64 103.10 1xwe s THR 1634Ca 0.44 -1.36 0.32 0.00 -1.18 0.00 0.00 61.69 59.91 1xwe s THR 1634Cb -0.31 -0.56 0.36 0.00 1.34 0.00 0.00 72.50 73.34 1xwe s THR 1634CO 0.39 -0.53 2.06 0.71 -0.54 0.00 0.00 174.62 176.71 1xwe h THR 1635N 4.90 0.23 -4.09 3.99 1.35 -1.95 -3.42 112.91 113.93 1xwe h THR 1635Ca 0.11 0.00 -0.32 0.00 -0.55 0.00 0.00 66.41 65.66 1xwe h THR 1635Cb 1.04 0.78 0.09 0.00 -1.73 0.00 0.00 68.15 68.34 1xwe h THR 1635CO 0.18 0.00 0.19 0.00 -0.25 0.00 0.00 175.52 175.64 1xwe n SER 1637N -3.27 3.20 0.01 0.00 3.41 -1.26 -4.74 113.62 110.97 1xwe n SER 1637Ca 0.12 -1.96 0.00 0.00 -0.26 0.00 0.00 58.87 56.77 1xwe n SER 1637Cb 0.41 -0.29 0.00 0.00 -0.26 0.00 0.00 64.21 64.07 1xwe n SER 1637CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1xwe n SER 1638N 0.94 -0.15 -3.68 4.04 7.64 -1.26 -5.12 113.62 116.03 1xwe n SER 1638Ca 0.16 0.04 -0.09 0.00 1.01 0.00 0.00 58.87 59.99 1xwe n SER 1638Cb 0.49 0.40 -0.10 0.00 -1.01 0.00 0.00 64.21 63.99 1xwe n SER 1638CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xwe n GLN 1640N 4.66 0.00 0.00 0.00 7.27 -1.26 -4.63 117.38 123.42 1xwe n GLN 1640Ca -0.18 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.89 1xwe n GLN 1640Cb 0.54 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.19 1xwe n GLN 1640CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1xwe n ALA 1641N -3.00 0.00 0.29 1.69 0.00 -1.26 -4.44 120.51 113.79 1xwe n ALA 1641Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.58 1xwe n ALA 1641Cb 0.00 0.00 0.68 0.00 0.00 0.00 0.00 19.45 20.13 1xwe n ALA 1641CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1xwe h PHE 1642N 0.00 0.00 0.00 0.00 3.57 -1.94 -1.90 116.94 116.67 1xwe h PHE 1642Ca 0.00 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 1xwe h PHE 1642Cb 0.00 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.74 1xwe h PHE 1642CO 0.00 0.00 -0.11 -0.07 -2.23 0.00 0.00 178.31 175.90 1xwe h LEU 1643N 0.00 0.00 -1.67 0.59 -0.00 -1.91 -0.98 115.31 111.34 1xwe h LEU 1643Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 57.84 1xwe h LEU 1643Cb 0.21 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.87 1xwe h LEU 1643CO 0.00 0.11 -0.17 0.00 -0.00 0.00 0.00 178.44 178.39 1xwe h ALA 1644N 1.89 1.24 0.00 1.53 0.00 -1.55 -0.99 119.26 121.37 1xwe h ALA 1644Ca -0.00 -0.15 -0.27 0.00 0.00 0.00 0.00 54.91 54.48 1xwe h ALA 1644Cb 0.22 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 1xwe h ALA 1644CO 0.01 0.21 -1.53 -0.91 0.00 0.00 0.00 179.25 177.04 1xwe h ASN 1645N 0.00 0.01 1.03 0.00 -0.26 -1.37 -3.33 115.58 111.66 1xwe h ASN 1645Ca -0.00 -0.02 -0.11 0.00 -0.56 0.00 0.00 56.30 55.61 1xwe h ASN 1645Cb 0.45 -0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.70 1xwe h ASN 1645CO 0.02 1.02 -0.52 -0.07 -1.06 0.00 0.00 177.43 176.82 1xwe h LEU 1646N 0.00 0.00 -1.16 1.61 3.38 -0.97 -3.09 115.31 115.08 1xwe h LEU 1646Ca -0.22 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.67 1xwe h LEU 1646Cb 1.95 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.69 1xwe h LEU 1646CO 0.09 0.52 -0.41 -0.78 0.09 0.00 0.00 178.44 177.95 1xwe h ASP 1647N 0.00 0.00 -0.03 -0.43 1.82 -1.30 -1.17 116.42 115.31 1xwe h ASP 1647Ca -0.01 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.63 1xwe h ASP 1647Cb 1.17 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.18 1xwe h ASP 1647CO 0.07 0.41 0.00 -0.62 -1.61 0.00 0.00 179.24 177.49 1xwe n GLU 1648N -3.98 1.21 -0.05 0.28 -0.58 -1.17 -3.70 120.64 112.65 1xwe n GLU 1648Ca -0.02 -0.31 -0.09 0.00 -0.42 0.00 0.00 57.16 56.33 1xwe n GLU 1648Cb 0.45 -1.41 -0.04 0.00 -0.57 0.00 0.00 31.44 29.87 1xwe n GLU 1648CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1xwe n PHE 1649N -0.55 0.00 0.23 -0.32 7.35 -0.77 -4.00 117.46 119.40 1xwe n PHE 1649Ca 0.18 0.00 0.14 0.00 -0.76 0.00 0.00 57.45 57.02 1xwe n PHE 1649Cb 0.16 -0.39 0.75 0.00 0.35 0.00 0.00 39.48 40.35 1xwe n PHE 1649CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1xwe h ALA 1650N -0.15 1.00 -0.01 3.13 0.00 -1.34 -0.42 119.26 121.47 1xwe h ALA 1650Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1xwe h ALA 1650Cb 1.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1xwe h ALA 1650CO -0.09 0.00 -0.09 -1.91 0.00 0.00 0.00 179.25 177.16 1xwe n GLU 1651N -2.50 1.55 -0.02 0.00 2.13 -1.24 -3.88 120.64 116.68 1xwe n GLU 1651Ca -0.01 -0.63 0.08 0.00 0.66 0.00 0.00 57.16 57.26 1xwe n GLU 1651Cb 0.07 -1.03 -0.15 0.00 0.27 0.00 0.00 31.44 30.60 1xwe n GLU 1651CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1xwe n ASP 1652N -0.09 0.56 -0.04 4.31 2.03 -0.30 -3.73 116.55 119.29 1xwe n ASP 1652Ca 0.03 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.33 1xwe n ASP 1652Cb 0.15 1.80 -0.11 0.00 -0.72 0.00 0.00 41.12 42.25 1xwe n ASP 1652CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1xwe n ILE 1653N -2.22 0.53 -0.07 5.18 0.13 -0.45 -3.86 119.36 118.60 1xwe n ILE 1653Ca -0.06 -0.46 -0.19 0.00 -1.10 0.00 0.00 62.75 60.94 1xwe n ILE 1653Cb 0.56 -0.31 -0.13 0.00 -0.84 0.00 0.00 39.64 38.92 1xwe n ILE 1653CO 0.00 0.00 0.00 0.15 2.80 0.00 0.00 176.55 179.50 1xwe h PHE 1654N 0.00 0.08 -0.11 9.51 3.04 -1.75 -2.78 116.94 124.94 1xwe h PHE 1654Ca -0.21 -0.06 -0.10 0.00 3.98 0.00 0.00 57.97 61.58 1xwe h PHE 1654Cb 1.33 -0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.84 1xwe h PHE 1654CO 0.00 1.31 -0.33 1.25 -2.02 0.00 0.00 178.31 178.52 1xwe h LEU 1655N -0.88 0.48 0.00 0.59 6.46 -1.80 -3.39 115.31 116.77 1xwe h LEU 1655Ca -0.20 -0.60 0.00 0.00 -0.12 0.00 0.00 57.88 56.95 1xwe h LEU 1655Cb 1.27 -0.14 0.00 0.00 -0.73 0.00 0.00 40.66 41.06 1xwe h LEU 1655CO -0.08 1.00 0.00 0.59 -0.62 0.00 0.00 178.44 179.33 1xwe n ASN 1656N -4.39 0.00 0.00 1.25 5.03 -1.25 -5.04 115.26 110.86 1xwe n ASN 1656Ca -0.07 0.22 0.00 0.00 0.87 0.00 0.00 54.58 55.59 1xwe n ASN 1656Cb 0.50 -0.22 0.00 0.00 -1.02 0.00 0.00 39.78 39.04 1xwe n ASN 1656CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1xwe n GLY 1657N 2.28 3.24 0.00 7.41 0.00 -1.05 -5.02 105.19 112.05 1xwe n GLY 1657Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.31 1xwe n GLY 1657CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32