#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 -5.19 -2.32 1.61 7.64 -1.26 -4.09 113.62 110.01 1xwe n SER 1509Ca 0.00 0.42 -0.02 0.00 1.01 0.00 0.00 58.87 60.28 1xwe n SER 1509Cb 0.00 -4.58 -0.02 0.00 -1.01 0.00 0.00 64.21 58.61 1xwe n SER 1509CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1xwe n HIS 1510N -2.49 -4.28 -1.98 1.43 -0.00 -1.26 -4.87 115.22 101.77 1xwe n HIS 1510Ca -0.20 2.53 -0.42 0.00 -0.00 0.00 0.00 57.72 59.63 1xwe n HIS 1510Cb 0.64 -3.69 -0.03 0.00 -0.00 0.00 0.00 29.99 26.91 1xwe n HIS 1510CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.34 177.75 1xwe s MET 1511N -0.74 4.23 -0.01 -0.41 -2.45 -1.26 -4.99 119.30 113.67 1xwe s MET 1511Ca -0.10 2.30 0.01 0.00 -1.25 0.00 0.00 55.69 56.65 1xwe s MET 1511Cb 0.01 -3.30 0.00 0.00 1.25 0.00 0.00 34.83 32.79 1xwe s MET 1511CO 0.27 -0.61 -0.03 0.00 1.05 0.00 0.00 175.02 175.69 1xwe s ALA 1512N 1.58 0.33 0.00 4.11 0.00 -1.26 -5.08 121.76 121.43 1xwe s ALA 1512Ca 0.70 -0.10 0.00 0.00 0.00 0.00 0.00 51.96 52.56 1xwe s ALA 1512Cb -0.41 -0.14 0.00 0.00 0.00 0.00 0.00 23.12 22.57 1xwe s ALA 1512CO 0.31 0.05 0.06 -0.25 0.00 0.00 0.00 175.76 175.93 1xwe n ASP 1513N 3.23 0.00 -3.34 0.00 9.92 -1.26 -2.87 116.55 122.23 1xwe n ASP 1513Ca -0.16 0.06 -0.26 0.00 -0.53 0.00 0.00 54.79 53.90 1xwe n ASP 1513Cb 0.57 0.00 0.02 0.00 -0.64 0.00 0.00 41.12 41.07 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 -0.52 0.97 3.48 0.00 0.00 -1.23 -3.98 105.19 103.92 1xwe n GLY 1515Ca -0.06 0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.43 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 0.00 1.02 -3.25 1.61 7.27 -1.26 -3.70 117.38 119.07 1xwe n GLN 1516Ca 0.00 0.31 -0.21 0.00 0.07 0.00 0.00 57.00 57.16 1xwe n GLN 1516Cb 0.00 -2.29 0.05 0.00 2.41 0.00 0.00 30.24 30.41 1xwe n GLN 1516CO 0.00 0.00 0.00 -1.64 0.07 0.00 0.00 177.06 175.49 1xwe s MET 1517N 5.58 2.28 0.27 3.69 -1.94 -1.26 -4.39 119.30 123.52 1xwe s MET 1517Ca 1.08 -1.75 0.06 0.00 -1.71 0.00 0.00 55.69 53.37 1xwe s MET 1517Cb -0.97 -2.51 -0.03 0.00 2.01 0.00 0.00 34.83 33.34 1xwe s MET 1517CO 0.54 -0.83 0.33 -0.65 -0.01 0.00 0.00 175.02 174.41 1xwe s GLN 1518N -4.59 3.21 1.18 2.03 -1.52 -0.61 -4.99 119.66 114.37 1xwe s GLN 1518Ca 0.55 -0.91 -0.20 0.00 -1.95 0.00 0.00 55.36 52.85 1xwe s GLN 1518Cb -0.05 -2.77 0.30 0.00 -0.22 0.00 0.00 33.01 30.27 1xwe s GLN 1518CO 0.35 0.33 0.93 0.39 -0.25 0.00 0.00 175.29 177.04 1xwe n GLU 1519N -1.39 -3.44 0.00 2.91 -0.58 -1.26 -4.51 120.64 112.38 1xwe n GLU 1519Ca -0.07 -1.51 0.00 0.00 -0.42 0.00 0.00 57.16 55.16 1xwe n GLU 1519Cb 0.58 -1.55 0.00 0.00 -0.57 0.00 0.00 31.44 29.89 1xwe n GLU 1519CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1xwe n GLU 1520N -4.80 0.00 -3.36 3.49 4.71 -1.26 -4.26 120.64 115.16 1xwe n GLU 1520Ca 0.13 0.00 -0.45 0.00 -0.01 0.00 0.00 57.16 56.83 1xwe n GLU 1520Cb 0.54 -0.10 -0.06 0.00 -1.01 0.00 0.00 31.44 30.81 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 -0.43 6.11 -0.28 -4.62 1.43 -1.26 -4.88 118.68 114.76 1xwe s LEU 1521Ca 0.00 -1.86 -0.01 0.00 -1.03 0.00 0.00 54.13 51.23 1xwe s LEU 1521Cb 0.00 -2.17 0.13 0.00 0.03 0.00 0.00 46.19 44.18 1xwe s LEU 1521CO 0.00 -0.81 0.30 -1.81 0.23 0.00 0.00 176.35 174.26 1xwe s ASP 1522N 3.35 1.44 0.00 2.29 1.11 -1.26 -4.99 116.67 118.61 1xwe s ASP 1522Ca 0.04 -0.59 0.06 0.00 0.18 0.00 0.00 52.55 52.24 1xwe s ASP 1522Cb -0.28 0.58 0.32 0.00 1.07 0.00 0.00 42.92 44.60 1xwe s ASP 1522CO 0.02 -0.37 1.21 0.18 1.18 0.00 0.00 175.17 177.38 1xwe n LEU 1523N 5.32 0.05 0.23 1.23 4.77 -1.26 -3.63 117.00 123.71 1xwe n LEU 1523Ca -0.02 -0.03 0.09 0.00 -0.03 0.00 0.00 56.01 56.02 1xwe n LEU 1523Cb 0.47 -0.01 0.56 0.00 -2.33 0.00 0.00 43.42 42.12 1xwe n LEU 1523CO 0.02 0.01 0.87 0.00 -1.33 0.00 0.00 177.39 176.96 1xwe h THR 1524N 0.06 0.80 -3.22 -5.08 1.03 -2.02 -3.42 112.91 101.07 1xwe h THR 1524Ca 0.00 -0.86 -0.59 0.00 -0.01 0.00 0.00 66.41 64.95 1xwe h THR 1524Cb 0.01 1.52 -0.08 0.00 -1.07 0.00 0.00 68.15 68.53 1xwe h THR 1524CO 0.00 0.21 -0.24 -0.63 -0.01 0.00 0.00 175.52 174.85 1xwe s ILE 1525N -4.12 5.21 0.82 0.00 1.01 -1.24 -5.09 121.20 117.80 1xwe s ILE 1525Ca -0.02 0.73 -0.08 0.00 0.00 0.00 0.00 60.65 61.28 1xwe s ILE 1525Cb 0.13 -3.70 0.15 0.00 0.01 0.00 0.00 42.46 39.05 1xwe s ILE 1525CO 0.64 0.42 1.14 -0.44 0.00 0.00 0.00 174.94 176.70 1xwe s SER 1526N 0.13 3.88 0.11 3.58 0.01 -1.26 -5.01 113.70 115.13 1xwe s SER 1526Ca 0.21 0.05 0.05 0.00 1.31 0.00 0.00 55.95 57.57 1xwe s SER 1526Cb -0.14 -0.32 -0.23 0.00 0.21 0.00 0.00 66.02 65.53 1xwe s SER 1526CO 0.08 -2.20 1.23 0.00 0.41 0.00 0.00 173.24 172.76 1xwe h ALA 1527N -1.03 0.30 0.00 1.44 0.00 -1.98 -3.29 119.26 114.70 1xwe h ALA 1527Ca -0.41 -0.92 -0.20 0.00 0.00 0.00 0.00 54.91 53.38 1xwe h ALA 1527Cb 1.26 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.92 1xwe h ALA 1527CO 0.43 1.20 -0.94 0.93 0.00 0.00 0.00 179.25 180.86 1xwe h GLU 1528N 0.02 0.00 0.00 0.00 5.08 -1.96 -2.52 114.58 115.19 1xwe h GLU 1528Ca -0.05 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1xwe h GLU 1528Cb 1.82 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.07 1xwe h GLU 1528CO 0.15 0.94 -0.06 1.15 -1.00 0.00 0.00 179.01 180.19 1xwe h THR 1529N 0.00 0.66 0.03 1.13 2.02 -1.96 -0.85 112.91 113.94 1xwe h THR 1529Ca -0.01 -0.23 -0.36 0.00 0.77 0.00 0.00 66.41 66.58 1xwe h THR 1529Cb 1.67 1.14 -0.05 0.00 -1.74 0.00 0.00 68.15 69.17 1xwe h THR 1529CO 0.12 0.06 -2.16 0.54 0.37 0.00 0.00 175.52 174.45 1xwe n ARG 1530N -3.92 0.68 -0.22 6.66 1.74 -1.21 -4.32 116.66 116.08 1xwe n ARG 1530Ca -0.03 0.17 -0.07 0.00 -0.77 0.00 0.00 57.85 57.16 1xwe n ARG 1530Cb 0.15 -1.63 0.08 0.00 -1.02 0.00 0.00 32.46 30.03 1xwe n ARG 1530CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 1xwe h LYS 1531N 0.02 1.06 0.00 5.56 1.63 -1.10 -1.80 116.57 121.94 1xwe h LYS 1531Ca -0.47 -0.26 0.00 0.00 -0.85 0.00 0.00 60.65 59.07 1xwe h LYS 1531Cb 2.05 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 33.55 1xwe h LYS 1531CO 0.02 0.96 0.03 1.96 -3.45 0.00 0.00 179.45 178.98 1xwe h GLN 1532N 1.00 0.00 0.22 1.90 4.20 -1.35 -0.92 115.11 120.16 1xwe h GLN 1532Ca 0.20 0.00 -0.31 0.00 0.06 0.00 0.00 58.65 58.60 1xwe h GLN 1532Cb 0.40 0.00 0.03 0.00 0.30 0.00 0.00 27.48 28.21 1xwe h GLN 1532CO 0.01 0.00 -1.40 1.15 -0.67 0.00 0.00 178.83 177.92 1xwe h THR 1533N 0.00 1.27 -0.05 -0.54 2.02 -1.52 -3.22 112.91 110.87 1xwe h THR 1533Ca 0.00 -2.64 -0.04 0.00 0.77 0.00 0.00 66.41 64.51 1xwe h THR 1533Cb 0.07 3.03 -0.01 0.00 -1.74 0.00 0.00 68.15 69.50 1xwe h THR 1533CO 0.00 0.80 -0.14 0.00 0.37 0.00 0.00 175.52 176.54 1xwe h ALA 1534N 0.13 1.68 0.00 6.16 0.00 -1.12 -1.75 119.26 124.36 1xwe h ALA 1534Ca -0.25 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.45 1xwe h ALA 1534Cb 2.06 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.80 1xwe h ALA 1534CO 0.24 0.24 -0.24 0.00 0.00 0.00 0.00 179.25 179.48 1xwe s LYS 1536N -3.38 2.81 0.08 0.00 1.02 -0.66 -4.88 119.74 114.73 1xwe s LYS 1536Ca 0.03 2.06 0.14 0.00 0.02 0.00 0.00 55.97 58.22 1xwe s LYS 1536Cb 0.08 -1.98 0.62 0.00 -0.52 0.00 0.00 37.83 36.03 1xwe s LYS 1536CO 0.66 -1.39 1.44 -0.35 -0.92 0.00 0.00 175.35 174.79 1xwe n PRO 1537N -1.58 0.05 -0.02 -1.68 -0.04 -1.26 -1.90 135.00 128.57 1xwe n PRO 1537Ca 0.14 0.36 0.12 0.00 -0.04 0.00 0.00 63.50 64.08 1xwe n PRO 1537Cb 0.48 -1.61 0.61 0.00 -0.04 0.00 0.00 33.50 32.93 1xwe n PRO 1537CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1xwe n GLU 1538N -1.71 1.24 -3.89 0.54 0.28 -1.26 -4.65 120.64 111.19 1xwe n GLU 1538Ca 0.02 -0.36 -0.29 0.00 -0.16 0.00 0.00 57.16 56.38 1xwe n GLU 1538Cb 0.14 -1.39 -0.16 0.00 1.43 0.00 0.00 31.44 31.46 1xwe n GLU 1538CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1xwe s ILE 1539N -1.95 1.16 -0.09 3.84 -1.09 -0.80 -3.11 121.20 119.16 1xwe s ILE 1539Ca 0.35 -0.76 -0.02 0.00 -2.23 0.00 0.00 60.65 57.99 1xwe s ILE 1539Cb 0.17 -1.38 -0.01 0.00 -1.58 0.00 0.00 42.46 39.66 1xwe s ILE 1539CO 0.28 0.05 -0.04 0.00 -1.23 0.00 0.00 174.94 173.99 1xwe h ALA 1540N 8.09 0.00 -2.28 9.38 0.00 -0.86 -3.45 119.26 130.14 1xwe h ALA 1540Ca -0.22 -0.14 -0.51 0.00 0.00 0.00 0.00 54.91 54.04 1xwe h ALA 1540Cb 1.10 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.97 1xwe h ALA 1540CO 0.40 0.12 -0.51 1.52 0.00 0.00 0.00 179.25 180.78 1xwe s TYR 1541N -1.60 3.20 -0.30 0.00 -0.85 -0.24 -4.60 117.35 112.96 1xwe s TYR 1541Ca -0.04 -0.07 0.01 0.00 -0.52 0.00 0.00 57.07 56.46 1xwe s TYR 1541Cb 0.00 -1.46 0.15 0.00 0.38 0.00 0.00 41.96 41.03 1xwe s TYR 1541CO 0.05 0.51 0.36 0.00 -1.52 0.00 0.00 175.55 174.95 1xwe s ALA 1542N -2.03 -0.83 0.32 9.51 0.00 -0.94 -1.97 121.76 125.82 1xwe s ALA 1542Ca 0.33 -0.14 -0.04 0.00 0.00 0.00 0.00 51.96 52.11 1xwe s ALA 1542Cb -0.09 -1.97 0.00 0.00 0.00 0.00 0.00 23.12 21.06 1xwe s ALA 1542CO 0.26 -1.79 0.46 1.52 0.00 0.00 0.00 175.76 176.21 1xwe s TYR 1543N 2.34 0.96 -0.10 0.00 -0.85 -0.85 -0.75 117.35 118.10 1xwe s TYR 1543Ca 0.10 -1.21 0.02 0.00 -0.52 0.00 0.00 57.07 55.46 1xwe s TYR 1543Cb -0.13 -0.06 -0.02 0.00 0.38 0.00 0.00 41.96 42.13 1xwe s TYR 1543CO -0.28 -1.10 -0.15 0.21 -1.52 0.00 0.00 175.55 172.71 1xwe s LYS 1544N -3.24 3.01 0.14 -3.49 2.20 -0.77 -1.94 119.74 115.65 1xwe s LYS 1544Ca 0.30 -0.72 0.01 0.00 -0.36 0.00 0.00 55.97 55.20 1xwe s LYS 1544Cb -0.00 -2.48 -0.00 0.00 -1.51 0.00 0.00 37.83 33.83 1xwe s LYS 1544CO 0.18 0.35 0.05 1.33 -0.36 0.00 0.00 175.35 176.90 1xwe n VAL 1545N 3.09 0.00 -3.68 4.02 0.24 -0.92 -1.48 118.33 119.60 1xwe n VAL 1545Ca -0.18 -0.83 -0.10 0.00 -2.04 0.00 0.00 64.34 61.20 1xwe n VAL 1545Cb 0.52 0.29 -0.10 0.00 -1.47 0.00 0.00 33.84 33.08 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 -1.88 -0.46 0.53 -1.34 0.15 -0.60 -1.54 113.70 108.56 1xwe s SER 1546Ca 0.07 0.95 -0.22 0.00 0.70 0.00 0.00 55.95 57.45 1xwe s SER 1546Cb 0.00 0.98 -0.05 0.00 -1.71 0.00 0.00 66.02 65.23 1xwe s SER 1546CO 0.05 -0.21 1.35 -0.38 1.20 0.00 0.00 173.24 175.26 1xwe n ILE 1547N 4.61 3.67 0.00 6.45 2.08 -0.36 -1.69 119.36 134.11 1xwe n ILE 1547Ca -0.19 -0.50 0.00 0.00 0.56 0.00 0.00 62.75 62.62 1xwe n ILE 1547Cb 0.54 -1.67 0.00 0.00 -0.75 0.00 0.00 39.64 37.76 1xwe n ILE 1547CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 1xwe n THR 1548N -0.93 0.00 -3.45 1.39 -2.24 -0.54 -1.35 114.28 107.17 1xwe n THR 1548Ca 0.10 -0.07 -0.11 0.00 -2.27 0.00 0.00 64.05 61.70 1xwe n THR 1548Cb 0.44 0.48 -0.02 0.00 -2.10 0.00 0.00 70.33 69.13 1xwe n THR 1548CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1xwe s SER 1549N -0.63 -0.51 -0.14 3.42 0.15 0.08 -4.73 113.70 111.35 1xwe s SER 1549Ca 0.00 0.03 -0.03 0.00 0.70 0.00 0.00 55.95 56.65 1xwe s SER 1549Cb 0.00 0.53 0.05 0.00 -1.71 0.00 0.00 66.02 64.89 1xwe s SER 1549CO 0.00 -0.85 0.05 -0.63 1.20 0.00 0.00 173.24 173.01 1xwe s ILE 1550N -3.45 0.18 -0.14 6.45 1.01 -1.26 -1.13 121.20 122.86 1xwe s ILE 1550Ca 0.02 -0.13 -0.07 0.00 0.00 0.00 0.00 60.65 60.46 1xwe s ILE 1550Cb -0.01 -0.63 -0.04 0.00 0.01 0.00 0.00 42.46 41.79 1xwe s ILE 1550CO -0.11 -0.08 0.12 -0.89 0.00 0.00 0.00 174.94 173.98 1xwe s THR 1551N 2.03 5.35 -0.06 2.92 2.01 -0.36 -4.98 115.64 122.55 1xwe s THR 1551Ca 0.02 0.15 -0.01 0.00 0.31 0.00 0.00 61.69 62.17 1xwe s THR 1551Cb -0.15 -3.35 0.03 0.00 0.01 0.00 0.00 72.50 69.04 1xwe s THR 1551CO -0.07 0.57 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.73 1xwe s VAL 1552N -0.65 0.42 0.00 3.82 1.01 -1.26 -1.15 120.40 122.59 1xwe s VAL 1552Ca 0.13 0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.15 1xwe s VAL 1552Cb -0.12 -0.53 0.00 0.00 0.00 0.00 0.00 36.38 35.73 1xwe s VAL 1552CO 0.02 0.24 0.00 -0.62 0.00 0.00 0.00 175.10 174.75 1xwe n GLU 1553N 4.77 0.00 0.04 2.72 -0.58 -1.25 -5.05 120.64 121.29 1xwe n GLU 1553Ca -0.13 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.61 1xwe n GLU 1553Cb 0.50 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.37 1xwe n GLU 1553CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1xwe n ASN 1554N -1.25 -0.50 -0.08 1.62 3.02 -1.26 -4.99 115.26 111.81 1xwe n ASN 1554Ca 0.00 0.16 -0.10 0.00 -0.03 0.00 0.00 54.58 54.61 1xwe n ASN 1554Cb 0.00 0.68 -0.11 0.00 -0.61 0.00 0.00 39.78 39.75 1xwe n ASN 1554CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1xwe n VAL 1555N -2.72 1.05 -3.47 2.41 0.31 -1.26 -4.89 118.33 109.75 1xwe n VAL 1555Ca 0.00 -0.54 -0.41 0.00 -0.01 0.00 0.00 64.34 63.37 1xwe n VAL 1555Cb 0.00 -0.84 -0.10 0.00 -0.91 0.00 0.00 33.84 31.99 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 -2.37 3.22 0.17 3.52 0.08 -1.26 -1.85 117.98 119.49 1xwe s PHE 1556Ca -0.15 -0.30 -0.10 0.00 0.12 0.00 0.00 56.93 56.50 1xwe s PHE 1556Cb 0.05 -2.57 -0.07 0.00 -0.57 0.00 0.00 43.02 39.86 1xwe s PHE 1556CO 0.54 -0.46 0.50 0.08 -0.10 0.00 0.00 175.22 175.77 1xwe s VAL 1557N 1.79 4.97 0.08 -0.44 1.01 0.05 -3.86 120.40 124.00 1xwe s VAL 1557Ca 0.07 0.50 0.04 0.00 0.00 0.00 0.00 61.98 62.59 1xwe s VAL 1557Cb -0.18 -3.65 -0.03 0.00 0.00 0.00 0.00 36.38 32.52 1xwe s VAL 1557CO 0.11 0.09 -0.11 -0.54 0.00 0.00 0.00 175.10 174.65 1xwe s LYS 1558N -2.42 0.77 -0.15 2.72 1.02 -0.30 0.05 119.74 121.44 1xwe s LYS 1558Ca 0.42 -1.00 -0.04 0.00 0.02 0.00 0.00 55.97 55.37 1xwe s LYS 1558Cb -0.13 -0.58 0.05 0.00 -0.52 0.00 0.00 37.83 36.66 1xwe s LYS 1558CO 0.21 0.11 0.06 0.71 -0.92 0.00 0.00 175.35 175.52 1xwe s TYR 1559N -1.82 0.44 -0.14 3.18 2.02 0.34 -1.22 117.35 120.16 1xwe s TYR 1559Ca -0.00 -0.36 -0.21 0.00 -0.37 0.00 0.00 57.07 56.13 1xwe s TYR 1559Cb -0.07 -0.76 -0.03 0.00 -0.40 0.00 0.00 41.96 40.70 1xwe s TYR 1559CO 0.01 -0.47 0.60 0.21 -1.57 0.00 0.00 175.55 174.33 1xwe s LYS 1560N 2.05 4.31 0.06 -0.62 2.47 -0.28 -2.03 119.74 125.70 1xwe s LYS 1560Ca 0.02 0.64 -0.02 0.00 -1.56 0.00 0.00 55.97 55.04 1xwe s LYS 1560Cb -0.15 -3.50 -0.03 0.00 -1.46 0.00 0.00 37.83 32.68 1xwe s LYS 1560CO -0.07 -0.04 0.00 0.00 0.16 0.00 0.00 175.35 175.40 1xwe s ALA 1561N 1.22 0.41 -0.07 3.13 0.00 -0.97 -0.74 121.76 124.74 1xwe s ALA 1561Ca 0.30 -1.13 0.02 0.00 0.00 0.00 0.00 51.96 51.16 1xwe s ALA 1561Cb -0.16 0.31 -0.02 0.00 0.00 0.00 0.00 23.12 23.25 1xwe s ALA 1561CO 0.12 -0.39 -0.12 0.99 0.00 0.00 0.00 175.76 176.36 1xwe s THR 1562N -3.91 3.20 0.29 0.00 2.01 -0.68 -2.77 115.64 113.78 1xwe s THR 1562Ca 0.07 -0.66 -0.29 0.00 0.31 0.00 0.00 61.69 61.12 1xwe s THR 1562Cb 0.08 -2.28 -0.10 0.00 0.01 0.00 0.00 72.50 70.21 1xwe s THR 1562CO -0.10 0.58 1.18 -0.22 -0.69 0.00 0.00 174.62 175.37 1xwe s LEU 1563N -0.54 4.50 -0.21 4.42 0.20 -0.99 -1.56 118.68 124.51 1xwe s LEU 1563Ca 0.07 2.43 -0.16 0.00 0.69 0.00 0.00 54.13 57.16 1xwe s LEU 1563Cb -0.12 -3.63 -0.08 0.00 -0.43 0.00 0.00 46.19 41.93 1xwe s LEU 1563CO 0.02 -0.30 -0.29 0.18 -0.29 0.00 0.00 176.35 175.67 1xwe n LEU 1564N 1.12 1.92 -3.66 -0.68 4.32 -0.55 -3.12 117.00 116.35 1xwe n LEU 1564Ca -0.00 0.38 -0.15 0.00 -0.02 0.00 0.00 56.01 56.22 1xwe n LEU 1564Cb 0.44 -0.80 -0.08 0.00 -1.62 0.00 0.00 43.42 41.36 1xwe n LEU 1564CO 0.56 -0.02 0.22 -1.81 -1.22 0.00 0.00 177.39 175.12 1xwe s ASP 1565N -6.41 -0.44 -0.17 -1.43 1.01 -0.96 -4.02 116.67 104.25 1xwe s ASP 1565Ca -0.30 0.52 -0.05 0.00 0.71 0.00 0.00 52.55 53.42 1xwe s ASP 1565Cb 0.07 0.55 -0.03 0.00 1.01 0.00 0.00 42.92 44.51 1xwe s ASP 1565CO 0.43 -0.46 0.00 -0.63 0.21 0.00 0.00 175.17 174.72 1xwe s ILE 1566N -0.96 4.23 -0.07 0.77 1.01 -1.26 -1.85 121.20 123.06 1xwe s ILE 1566Ca -0.10 -0.24 0.19 0.00 0.00 0.00 0.00 60.65 60.51 1xwe s ILE 1566Cb -0.03 -2.88 -0.29 0.00 0.01 0.00 0.00 42.46 39.27 1xwe s ILE 1566CO 0.06 0.48 0.44 -1.22 0.00 0.00 0.00 174.94 174.69 1xwe n TYR 1567N 3.60 0.00 -3.50 3.97 4.01 -0.66 -4.89 117.16 119.70 1xwe n TYR 1567Ca -0.17 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.44 1xwe n TYR 1567Cb 0.52 -0.41 -0.11 0.00 -0.31 0.00 0.00 39.34 39.03 1xwe n TYR 1567CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 1xwe s LYS 1568N -3.30 0.26 0.48 -0.72 2.20 0.07 -4.68 119.74 114.04 1xwe s LYS 1568Ca -0.06 0.55 -0.21 0.00 -0.36 0.00 0.00 55.97 55.89 1xwe s LYS 1568Cb 0.12 -0.48 -0.11 0.00 -1.51 0.00 0.00 37.83 35.85 1xwe s LYS 1568CO 0.80 -0.52 0.51 2.41 -0.36 0.00 0.00 175.35 178.18 1xwe n THR 1569N 5.35 1.82 -3.89 3.43 -1.04 -1.26 -2.21 114.28 116.48 1xwe n THR 1569Ca -0.05 -0.50 -0.35 0.00 -2.04 0.00 0.00 64.05 61.10 1xwe n THR 1569Cb 0.50 -0.57 -0.08 0.00 -1.82 0.00 0.00 70.33 68.35 1xwe n THR 1569CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1xwe s GLY 1570N -1.02 2.03 0.56 3.41 0.00 -1.26 -4.22 107.32 106.83 1xwe s GLY 1570Ca 0.65 -0.70 0.25 0.00 0.00 0.00 0.00 44.72 44.92 1xwe s GLY 1570CO 0.57 -0.10 2.14 0.83 0.00 0.00 0.00 173.10 176.54 1xwe h GLU 1571N 6.03 0.00 -1.49 2.90 5.08 -1.93 -1.21 114.58 123.96 1xwe h GLU 1571Ca -0.45 0.00 -0.39 0.00 -1.00 0.00 0.00 59.36 57.52 1xwe h GLU 1571Cb 1.18 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 30.27 1xwe h GLU 1571CO 0.68 0.00 0.48 0.00 -1.00 0.00 0.00 179.01 179.17 1xwe n ALA 1572N -2.42 5.39 -2.82 3.43 0.00 -1.26 -4.88 120.51 117.95 1xwe n ALA 1572Ca 0.00 -2.02 -0.01 0.00 0.00 0.00 0.00 53.44 51.41 1xwe n ALA 1572Cb 0.24 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 18.21 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 0.21-10.17 -4.14 0.00 0.31 -0.48 -4.85 118.33 99.20 1xwe n VAL 1573Ca 0.36 1.55 -0.34 0.00 -0.01 0.00 0.00 64.34 65.90 1xwe n VAL 1573Cb 0.58 -6.23 -0.11 0.00 -0.91 0.00 0.00 33.84 27.17 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 -1.58 3.20 0.03 3.52 0.00 -1.11 -4.91 121.76 120.92 1xwe s ALA 1574Ca 0.02 -0.83 0.06 0.00 0.00 0.00 0.00 51.96 51.20 1xwe s ALA 1574Cb -0.00 -1.78 -0.02 0.00 0.00 0.00 0.00 23.12 21.31 1xwe s ALA 1574CO 0.65 0.10 -0.16 -1.21 0.00 0.00 0.00 175.76 175.14 1xwe s GLU 1575N 0.53 1.12 0.16 0.00 0.41 -1.26 -4.52 118.70 115.14 1xwe s GLU 1575Ca 0.00 -0.78 -0.32 0.00 -0.41 0.00 0.00 54.97 53.46 1xwe s GLU 1575Cb -0.13 -1.16 -0.12 0.00 -1.78 0.00 0.00 34.13 30.94 1xwe s GLU 1575CO 0.02 0.29 1.76 1.63 -0.49 0.00 0.00 175.26 178.47 1xwe n LYS 1576N 2.00 2.69 -3.29 1.61 4.01 -1.26 -1.93 118.16 121.99 1xwe n LYS 1576Ca -0.17 0.97 -0.17 0.00 -0.51 0.00 0.00 58.31 58.43 1xwe n LYS 1576Cb 0.54 -2.83 0.06 0.00 -0.51 0.00 0.00 35.03 32.29 1xwe n LYS 1576CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 1xwe n ASP 1577N 4.68 -4.64 -1.93 4.39 2.03 -1.18 -5.01 116.55 114.88 1xwe n ASP 1577Ca 0.17 -0.43 0.00 0.00 0.52 0.00 0.00 54.79 55.05 1xwe n ASP 1577Cb 0.35 -4.00 0.00 0.00 -0.72 0.00 0.00 41.12 36.75 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 -2.12 0.00 -4.43 1.67 3.41 -0.81 -4.69 113.62 106.64 1xwe n SER 1578Ca -0.04 -0.58 -0.33 0.00 -0.26 0.00 0.00 58.87 57.65 1xwe n SER 1578Cb 0.56 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.38 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 -1.05 2.98 0.00 4.33 2.12 -1.26 -2.34 118.70 123.48 1xwe s GLU 1579Ca 0.00 -0.67 0.00 0.00 0.36 0.00 0.00 54.97 54.66 1xwe s GLU 1579Cb 0.00 -2.53 -0.00 0.00 0.26 0.00 0.00 34.13 31.86 1xwe s GLU 1579CO 0.00 0.42 -0.01 0.96 -0.54 0.00 0.00 175.26 176.09 1xwe s ILE 1580N -0.18 0.08 -0.09 -3.70 -4.36 -1.11 -4.97 121.20 106.87 1xwe s ILE 1580Ca 0.00 -0.09 -0.01 0.00 -0.26 0.00 0.00 60.65 60.29 1xwe s ILE 1580Cb -0.13 -0.09 0.03 0.00 1.25 0.00 0.00 42.46 43.52 1xwe s ILE 1580CO 0.03 -0.00 -0.03 -0.89 0.24 0.00 0.00 174.94 174.28 1xwe s THR 1581N -0.10 0.66 -0.24 8.37 2.01 -1.26 -2.30 115.64 122.78 1xwe s THR 1581Ca -0.00 -0.07 -0.05 0.00 0.31 0.00 0.00 61.69 61.88 1xwe s THR 1581Cb -0.01 -0.75 -0.01 0.00 0.01 0.00 0.00 72.50 71.74 1xwe s THR 1581CO -0.00 0.30 0.01 -0.36 -0.69 0.00 0.00 174.62 173.88 1xwe s PHE 1582N 1.79 3.03 0.41 4.92 0.40 -0.86 -1.68 117.98 125.98 1xwe s PHE 1582Ca 0.04 -0.82 0.08 0.00 -0.60 0.00 0.00 56.93 55.63 1xwe s PHE 1582Cb -0.13 -2.17 -0.02 0.00 0.51 0.00 0.00 43.02 41.22 1xwe s PHE 1582CO -0.06 -0.50 0.40 0.96 0.70 0.00 0.00 175.22 176.72 1xwe s ILE 1583N 1.52 2.84 0.01 0.64 -4.36 -0.82 -0.50 121.20 120.52 1xwe s ILE 1583Ca 0.05 -1.29 -0.02 0.00 -0.26 0.00 0.00 60.65 59.13 1xwe s ILE 1583Cb -0.15 -3.03 0.01 0.00 1.25 0.00 0.00 42.46 40.54 1xwe s ILE 1583CO -0.00 -0.02 0.10 2.29 0.24 0.00 0.00 174.94 177.55 1xwe n LYS 1584N -1.58 0.05 -3.22 0.37 2.85 0.11 -3.91 118.16 112.84 1xwe n LYS 1584Ca 0.04 -0.13 -0.17 0.00 -1.05 0.00 0.00 58.31 56.99 1xwe n LYS 1584Cb 0.61 0.18 -0.02 0.00 -0.65 0.00 0.00 35.03 35.15 1xwe n LYS 1584CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1xwe n LYS 1585N -0.07 1.16 -0.54 -1.58 4.01 -1.26 -0.77 118.16 119.10 1xwe n LYS 1585Ca -0.00 -2.08 0.07 0.00 -0.51 0.00 0.00 58.31 55.79 1xwe n LYS 1585Cb 0.06 0.40 0.30 0.00 -0.51 0.00 0.00 35.03 35.28 1xwe n LYS 1585CO 0.00 0.00 0.00 1.33 -1.11 0.00 0.00 177.40 177.62 1xwe n VAL 1586N -0.98 1.61 -0.03 -0.18 0.24 -0.77 -4.01 118.33 114.21 1xwe n VAL 1586Ca -0.07 -0.98 0.01 0.00 -2.04 0.00 0.00 64.34 61.26 1xwe n VAL 1586Cb 0.37 -0.02 -0.09 0.00 -1.47 0.00 0.00 33.84 32.62 1xwe n VAL 1586CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1xwe n THR 1587N 0.81 0.35 -2.05 3.34 -2.24 -1.26 -4.87 114.28 108.37 1xwe n THR 1587Ca 0.21 -0.38 -0.27 0.00 -2.27 0.00 0.00 64.05 61.35 1xwe n THR 1587Cb 0.80 -0.19 -0.05 0.00 -2.10 0.00 0.00 70.33 68.78 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 7.87 4.81 0.00 0.00 -1.04 -1.14 -3.92 114.28 120.86 1xwe n THR 1589Ca 0.41 -4.99 0.00 0.00 -2.04 0.00 0.00 64.05 57.42 1xwe n THR 1589Cb 0.47 -2.22 0.00 0.00 -1.82 0.00 0.00 70.33 66.76 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 2.71 0.00 -4.37 8.00 2.85 -1.25 -4.59 115.26 118.61 1xwe n ASN 1590Ca 0.36 0.00 -0.45 0.00 -0.11 0.00 0.00 54.58 54.38 1xwe n ASN 1590Cb 0.34 0.00 -0.04 0.00 1.24 0.00 0.00 39.78 41.32 1xwe n ASN 1590CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1xwe s ALA 1591N -0.32 3.57 -0.03 5.20 0.00 -1.24 -4.36 121.76 124.57 1xwe s ALA 1591Ca 0.00 -2.55 0.05 0.00 0.00 0.00 0.00 51.96 49.45 1xwe s ALA 1591Cb 0.00 -3.56 -0.01 0.00 0.00 0.00 0.00 23.12 19.55 1xwe s ALA 1591CO 0.00 -2.38 -0.17 -2.00 0.00 0.00 0.00 175.76 171.21 1xwe s GLU 1592N 2.06 1.58 -0.02 0.00 2.12 -1.26 -5.05 118.70 118.14 1xwe s GLU 1592Ca 0.14 -0.61 0.07 0.00 0.36 0.00 0.00 54.97 54.93 1xwe s GLU 1592Cb -0.20 -1.45 -0.02 0.00 0.26 0.00 0.00 34.13 32.73 1xwe s GLU 1592CO 0.01 0.31 -0.22 -0.51 -0.54 0.00 0.00 175.26 174.31 1xwe s LEU 1593N -0.18 2.04 -0.16 2.70 1.43 -1.26 -5.11 118.68 118.14 1xwe s LEU 1593Ca 0.01 -0.39 -0.08 0.00 -1.03 0.00 0.00 54.13 52.64 1xwe s LEU 1593Cb -0.09 -1.11 -0.04 0.00 0.03 0.00 0.00 46.19 44.98 1xwe s LEU 1593CO 0.01 0.26 0.10 -0.69 0.23 0.00 0.00 176.35 176.26 1xwe s VAL 1594N -0.51 5.17 0.26 -1.59 1.01 -1.26 -5.06 120.40 118.42 1xwe s VAL 1594Ca 0.08 0.10 -0.31 0.00 0.00 0.00 0.00 61.98 61.85 1xwe s VAL 1594Cb -0.08 -3.31 -0.11 0.00 0.00 0.00 0.00 36.38 32.87 1xwe s VAL 1594CO -0.01 0.51 1.64 -0.75 0.00 0.00 0.00 175.10 176.48 1xwe s LYS 1595N -0.10 4.13 -0.67 2.72 2.20 -1.26 -3.48 119.74 123.28 1xwe s LYS 1595Ca 0.09 2.58 -0.03 0.00 -0.36 0.00 0.00 55.97 58.25 1xwe s LYS 1595Cb -0.12 -3.04 -0.03 0.00 -1.51 0.00 0.00 37.83 33.13 1xwe s LYS 1595CO 0.00 -0.67 0.60 0.41 -0.36 0.00 0.00 175.35 175.34 1xwe n GLY 1596N 2.82 -0.75 3.49 5.54 0.00 -0.46 -4.95 105.19 110.88 1xwe n GLY 1596Ca 0.11 0.33 -0.15 0.00 0.00 0.00 0.00 46.02 46.30 1xwe n GLY 1596CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1xwe s ARG 1597N -3.60 0.85 0.14 1.61 3.52 -1.23 -4.93 118.95 115.31 1xwe s ARG 1597Ca 0.20 0.50 -0.27 0.00 -0.13 0.00 0.00 55.73 56.03 1xwe s ARG 1597Cb -0.03 0.40 -0.07 0.00 -1.56 0.00 0.00 34.95 33.70 1xwe s ARG 1597CO 0.54 -0.19 0.84 -0.65 -0.81 0.00 0.00 175.30 175.03 1xwe s GLN 1598N -0.46 4.63 -0.08 5.12 -0.21 -1.26 -1.22 119.66 126.17 1xwe s GLN 1598Ca -0.06 1.25 -0.08 0.00 0.02 0.00 0.00 55.36 56.49 1xwe s GLN 1598Cb -0.03 -3.32 0.02 0.00 1.00 0.00 0.00 33.01 30.69 1xwe s GLN 1598CO 0.05 0.41 0.22 0.71 -2.12 0.00 0.00 175.29 174.57 1xwe s TYR 1599N -0.63 -0.25 0.07 0.91 2.02 -0.59 -1.88 117.35 117.01 1xwe s TYR 1599Ca 0.40 0.60 -0.24 0.00 -0.37 0.00 0.00 57.07 57.46 1xwe s TYR 1599Cb -0.23 0.08 -0.06 0.00 -0.40 0.00 0.00 41.96 41.35 1xwe s TYR 1599CO 0.27 -0.12 0.72 -1.17 -1.57 0.00 0.00 175.55 173.69 1xwe s LEU 1600N 0.12 4.49 -0.06 -1.29 2.96 -0.30 -2.16 118.68 122.46 1xwe s LEU 1600Ca -0.00 1.44 0.00 0.00 -0.22 0.00 0.00 54.13 55.35 1xwe s LEU 1600Cb -0.02 -3.17 0.02 0.00 0.50 0.00 0.00 46.19 43.53 1xwe s LEU 1600CO 0.00 0.11 -0.03 -0.63 -1.32 0.00 0.00 176.35 174.48 1xwe s ILE 1601N -0.48 0.49 -0.14 6.68 1.01 -0.82 -1.89 121.20 126.05 1xwe s ILE 1601Ca 0.36 -0.04 -0.04 0.00 0.00 0.00 0.00 60.65 60.93 1xwe s ILE 1601Cb -0.21 -0.56 0.06 0.00 0.01 0.00 0.00 42.46 41.76 1xwe s ILE 1601CO 0.23 0.24 0.17 -0.04 0.00 0.00 0.00 174.94 175.54 1xwe s MET 1602N 1.32 0.09 0.13 2.79 -1.94 -0.73 -2.01 119.30 118.94 1xwe s MET 1602Ca -0.05 0.33 -0.24 0.00 -1.71 0.00 0.00 55.69 54.03 1xwe s MET 1602Cb -0.13 -0.86 0.08 0.00 2.01 0.00 0.00 34.83 35.93 1xwe s MET 1602CO -0.02 -0.49 1.11 0.20 -0.01 0.00 0.00 175.02 175.82 1xwe s GLY 1603N 2.28 0.05 1.19 -0.03 0.00 -0.83 -2.07 107.32 107.91 1xwe s GLY 1603Ca 0.04 -0.24 -0.15 0.00 0.00 0.00 0.00 44.72 44.37 1xwe s GLY 1603CO -0.08 3.51 0.69 0.28 0.00 0.00 0.00 173.10 177.49 1xwe n LYS 1604N -0.77 -2.49 -0.44 2.90 4.76 -1.18 -0.25 118.16 120.70 1xwe n LYS 1604Ca -0.01 -0.70 -0.30 0.00 -2.87 0.00 0.00 58.31 54.43 1xwe n LYS 1604Cb 0.59 -2.00 0.28 0.00 -1.84 0.00 0.00 35.03 32.06 1xwe n LYS 1604CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 1xwe s GLU 1605N -4.11 -2.39 0.53 1.97 -1.05 -1.26 -4.57 118.70 107.81 1xwe s GLU 1605Ca 0.65 0.31 0.00 0.00 -0.15 0.00 0.00 54.97 55.78 1xwe s GLU 1605Cb -0.21 -1.42 0.10 0.00 -0.44 0.00 0.00 34.13 32.16 1xwe s GLU 1605CO 0.65 -4.57 0.72 0.00 0.95 0.00 0.00 175.26 173.02 1xwe n ALA 1606N -5.44 0.19 -1.13 -0.84 0.00 -1.26 -4.99 120.51 107.03 1xwe n ALA 1606Ca 0.10 -1.44 0.00 0.00 0.00 0.00 0.00 53.44 52.10 1xwe n ALA 1606Cb 0.58 0.25 0.00 0.00 0.00 0.00 0.00 19.45 20.28 1xwe n ALA 1606CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1xwe n LEU 1607N 0.00 0.00 -3.39 0.00 4.77 -0.96 -4.95 117.00 112.47 1xwe n LEU 1607Ca 0.12 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.91 1xwe n LEU 1607Cb 0.43 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.43 1xwe n LEU 1607CO 0.29 -0.17 -0.19 -1.58 -1.33 0.00 0.00 177.39 174.42 1xwe s GLN 1608N -0.77 0.48 -0.16 3.23 0.74 -1.26 -4.57 119.66 117.35 1xwe s GLN 1608Ca 0.00 -0.60 0.16 0.00 0.05 0.00 0.00 55.36 54.97 1xwe s GLN 1608Cb 0.00 -0.77 0.54 0.00 1.10 0.00 0.00 33.01 33.88 1xwe s GLN 1608CO 0.00 -1.12 1.44 -0.89 -0.55 0.00 0.00 175.29 174.17 1xwe n ILE 1609N 4.70 2.20 -1.47 -2.34 2.08 -0.78 -5.01 119.36 118.74 1xwe n ILE 1609Ca 0.05 -1.74 -0.38 0.00 0.56 0.00 0.00 62.75 61.25 1xwe n ILE 1609Cb 0.45 -0.17 0.05 0.00 -0.75 0.00 0.00 39.64 39.21 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 -0.28 0.56 0.00 0.38 2.85 -1.26 -4.35 118.16 116.07 1xwe n LYS 1610Ca 0.21 0.23 0.00 0.00 -1.05 0.00 0.00 58.31 57.70 1xwe n LYS 1610Cb 0.87 -1.86 0.00 0.00 -0.65 0.00 0.00 35.03 33.39 1xwe n LYS 1610CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 177.40 179.83 1xwe n TYR 1611N -1.87 0.00 -2.26 5.58 4.11 -1.26 -4.90 117.16 116.55 1xwe n TYR 1611Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 58.02 1xwe n TYR 1611Cb 0.48 0.10 0.00 0.00 -0.00 0.00 0.00 39.34 39.92 1xwe n TYR 1611CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.86 177.13 1xwe n ASN 1612N 0.00 0.00 0.00 9.48 6.94 -1.26 -4.99 115.26 125.43 1xwe n ASN 1612Ca 0.00 -0.12 0.04 0.00 -0.02 0.00 0.00 54.58 54.48 1xwe n ASN 1612Cb 0.32 0.00 0.24 0.00 -2.36 0.00 0.00 39.78 37.97 1xwe n ASN 1612CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1xwe n ALA 1613N -3.00 2.02 -3.44 -2.53 0.00 -1.26 -4.14 120.51 108.16 1xwe n ALA 1613Ca 0.00 -0.05 -0.24 0.00 0.00 0.00 0.00 53.44 53.15 1xwe n ALA 1613Cb 0.00 -1.13 -0.11 0.00 0.00 0.00 0.00 19.45 18.21 1xwe n ALA 1613CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1xwe s SER 1614N -1.77 2.44 0.96 0.00 0.01 -1.26 -5.14 113.70 108.94 1xwe s SER 1614Ca 0.12 -1.66 -0.11 0.00 1.31 0.00 0.00 55.95 55.61 1xwe s SER 1614Cb 0.05 -0.02 0.12 0.00 0.21 0.00 0.00 66.02 66.39 1xwe s SER 1614CO 0.09 -0.33 0.84 2.22 0.41 0.00 0.00 173.24 176.47 1xwe n PHE 1615N 4.51 -0.18 -3.69 2.43 1.16 -1.26 -4.60 117.46 115.83 1xwe n PHE 1615Ca 0.06 0.29 -0.30 0.00 -1.87 0.00 0.00 57.45 55.63 1xwe n PHE 1615Cb 0.41 -1.88 -0.14 0.00 -1.61 0.00 0.00 39.48 36.26 1xwe n PHE 1615CO 0.00 0.00 0.00 0.50 -1.87 0.00 0.00 176.76 175.39 1xwe s ARG 1616N -4.24 0.82 -0.58 3.97 3.52 -1.26 -4.86 118.95 116.32 1xwe s ARG 1616Ca 0.63 -1.33 -0.19 0.00 -0.13 0.00 0.00 55.73 54.71 1xwe s ARG 1616Cb -0.22 -1.96 0.09 0.00 -1.56 0.00 0.00 34.95 31.30 1xwe s ARG 1616CO 0.62 -1.06 0.72 0.71 -0.81 0.00 0.00 175.30 175.48 1xwe s TYR 1617N 1.23 2.97 0.29 5.12 2.02 -1.26 -1.87 117.35 125.85 1xwe s TYR 1617Ca 0.13 -0.83 0.07 0.00 -0.37 0.00 0.00 57.07 56.07 1xwe s TYR 1617Cb -0.20 -3.96 -0.03 0.00 -0.40 0.00 0.00 41.96 37.37 1xwe s TYR 1617CO -0.16 -1.29 0.33 0.96 -1.57 0.00 0.00 175.55 173.82 1xwe s ILE 1618N 2.84 4.27 -0.07 2.71 -4.36 -1.26 -4.60 121.20 120.73 1xwe s ILE 1618Ca 0.13 -1.20 0.02 0.00 -0.26 0.00 0.00 60.65 59.35 1xwe s ILE 1618Cb -0.22 -3.44 -0.03 0.00 1.25 0.00 0.00 42.46 40.02 1xwe s ILE 1618CO 0.08 -0.25 -0.12 -0.31 0.24 0.00 0.00 174.94 174.59 1xwe s TYR 1619N -2.16 2.80 -0.04 1.37 1.51 -0.68 -2.26 117.35 117.89 1xwe s TYR 1619Ca 0.39 -0.17 0.27 0.00 -1.01 0.00 0.00 57.07 56.55 1xwe s TYR 1619Cb -0.08 -1.69 0.92 0.00 -0.11 0.00 0.00 41.96 40.99 1xwe s TYR 1619CO 0.28 0.17 1.82 -1.00 -1.11 0.00 0.00 175.55 175.71 1xwe h PRO 1620N 5.54 0.00 -5.21 -1.71 0.13 -1.89 -2.19 132.00 126.68 1xwe h PRO 1620Ca -0.44 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.70 1xwe h PRO 1620Cb 1.17 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.21 1xwe h PRO 1620CO 0.52 0.09 -1.30 -0.11 -0.23 0.00 0.00 178.00 176.97 1xwe n LEU 1621N -3.17 -6.30 0.00 1.56 7.94 -1.25 -4.44 117.00 111.33 1xwe n LEU 1621Ca 0.01 1.94 0.00 0.00 -1.11 0.00 0.00 56.01 56.85 1xwe n LEU 1621Cb 0.42 -3.07 0.00 0.00 0.53 0.00 0.00 43.42 41.30 1xwe n LEU 1621CO 0.31 -3.69 0.00 -0.90 -1.11 0.00 0.00 177.39 172.00 1xwe n ASP 1622N 1.59 0.00 0.12 1.96 5.75 -1.26 -4.40 116.55 120.30 1xwe n ASP 1622Ca -0.28 -0.76 0.07 0.00 -0.01 0.00 0.00 54.79 53.81 1xwe n ASP 1622Cb 0.45 0.00 0.53 0.00 -1.03 0.00 0.00 41.12 41.08 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 0.00 0.24 0.11 -1.12 4.64 -1.87 -0.86 113.55 114.68 1xwe h SER 1623Ca 0.00 -0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1xwe h SER 1623Cb 0.00 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 62.03 1xwe h SER 1623CO 0.00 0.17 -0.07 0.25 -0.87 0.00 0.00 176.83 176.31 1xwe h LEU 1624N 0.28 0.00 -8.62 5.97 5.85 -1.96 -3.40 115.31 113.43 1xwe h LEU 1624Ca 0.09 0.00 -0.55 0.00 0.84 0.00 0.00 57.88 58.26 1xwe h LEU 1624Cb 0.02 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 40.99 1xwe h LEU 1624CO -0.02 0.07 1.04 -0.89 -0.34 0.00 0.00 178.44 178.31 1xwe s THR 1625N -4.70 3.90 -0.60 1.05 2.01 -0.33 -4.68 115.64 112.30 1xwe s THR 1625Ca -0.04 0.82 -0.28 0.00 0.31 0.00 0.00 61.69 62.50 1xwe s THR 1625Cb 0.16 -4.52 0.01 0.00 0.01 0.00 0.00 72.50 68.16 1xwe s THR 1625CO 0.63 -1.17 1.45 0.86 -0.69 0.00 0.00 174.62 175.71 1xwe s TRP 1626N 5.51 2.20 -0.08 4.92 -0.11 -0.88 -4.71 118.94 125.78 1xwe s TRP 1626Ca 0.50 0.42 0.03 0.00 1.22 0.00 0.00 56.10 58.27 1xwe s TRP 1626Cb -0.10 -4.39 -0.01 0.00 -1.50 0.00 0.00 33.47 27.47 1xwe s TRP 1626CO 0.27 -2.05 -0.18 0.42 -4.62 0.00 0.00 176.95 170.78 1xwe s ILE 1627N 6.40 2.65 0.02 5.86 1.01 -1.25 -1.78 121.20 134.10 1xwe s ILE 1627Ca 0.51 -0.84 0.03 0.00 0.00 0.00 0.00 60.65 60.35 1xwe s ILE 1627Cb -0.11 -2.04 -0.02 0.00 0.01 0.00 0.00 42.46 40.31 1xwe s ILE 1627CO 0.23 0.56 -0.08 -0.70 0.00 0.00 0.00 174.94 174.94 1xwe s GLU 1628N -0.09 0.60 -0.20 2.79 2.12 -0.79 -1.57 118.70 121.55 1xwe s GLU 1628Ca -0.04 -0.54 -0.29 0.00 0.36 0.00 0.00 54.97 54.46 1xwe s GLU 1628Cb -0.14 -0.50 -0.00 0.00 0.26 0.00 0.00 34.13 33.74 1xwe s GLU 1628CO 0.04 0.12 1.18 -0.47 -0.54 0.00 0.00 175.26 175.60 1xwe s TYR 1629N -0.76 3.01 -0.47 5.30 5.04 -1.26 -1.15 117.35 127.06 1xwe s TYR 1629Ca -0.03 1.16 -0.11 0.00 -2.44 0.00 0.00 57.07 55.65 1xwe s TYR 1629Cb -0.06 -3.45 0.11 0.00 0.35 0.00 0.00 41.96 38.91 1xwe s TYR 1629CO 0.00 -1.27 0.36 -0.46 -1.34 0.00 0.00 175.55 172.85 1xwe s TRP 1630N 3.44 3.35 -0.42 4.97 -0.11 -0.79 -4.92 118.94 124.46 1xwe s TRP 1630Ca 0.51 -1.59 -0.40 0.00 1.22 0.00 0.00 56.10 55.84 1xwe s TRP 1630Cb -0.19 -3.41 -0.16 0.00 -1.50 0.00 0.00 33.47 28.22 1xwe s TRP 1630CO 0.12 -0.95 2.11 -2.30 -4.62 0.00 0.00 176.95 171.32 1xwe n PRO 1631N 5.01 0.54 -0.34 5.86 -0.02 -1.26 -4.15 135.00 140.64 1xwe n PRO 1631Ca -0.10 0.15 0.24 0.00 -2.02 0.00 0.00 63.50 61.78 1xwe n PRO 1631Cb 0.41 -1.95 0.51 0.00 -0.02 0.00 0.00 33.50 32.45 1xwe n PRO 1631CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xwe h ARG 1632N 10.18 0.36 -4.22 -0.52 3.08 -1.96 -3.43 114.38 117.87 1xwe h ARG 1632Ca -0.21 -0.02 -0.28 0.00 0.07 0.00 0.00 59.98 59.54 1xwe h ARG 1632Cb 1.37 -0.08 -0.09 0.00 0.08 0.00 0.00 29.97 31.24 1xwe h ARG 1632CO 1.05 0.24 -0.26 0.34 -1.07 0.00 0.00 179.97 180.26 1xwe s ASP 1633N -5.12 0.84 -0.09 7.04 2.15 -1.26 -5.05 116.67 115.19 1xwe s ASP 1633Ca -0.09 -1.46 -0.07 0.00 0.43 0.00 0.00 52.55 51.36 1xwe s ASP 1633Cb 0.27 0.62 -0.28 0.00 -0.30 0.00 0.00 42.92 43.22 1xwe s ASP 1633CO 0.80 -1.21 0.51 0.71 -0.17 0.00 0.00 175.17 175.81 1xwe h THR 1634N 2.17 0.77 -0.00 1.71 1.35 -1.91 -3.35 112.91 113.66 1xwe h THR 1634Ca -0.28 -2.44 0.00 0.00 -0.55 0.00 0.00 66.41 63.14 1xwe h THR 1634Cb 1.24 2.61 0.00 0.00 -1.73 0.00 0.00 68.15 70.27 1xwe h THR 1634CO 0.39 0.87 -0.11 1.07 -0.25 0.00 0.00 175.52 177.49 1xwe n THR 1635N -3.50 0.00 0.16 6.82 5.66 -1.26 -2.89 114.28 119.26 1xwe n THR 1635Ca -0.28 -0.03 -0.11 0.00 -3.05 0.00 0.00 64.05 60.57 1xwe n THR 1635Cb 1.06 -0.20 -0.07 0.00 -1.55 0.00 0.00 70.33 69.57 1xwe n THR 1635CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1xwe n SER 1637N -5.10 1.50 -1.17 0.00 7.64 -1.26 -4.89 113.62 110.34 1xwe n SER 1637Ca -0.09 -1.72 -0.15 0.00 1.01 0.00 0.00 58.87 57.92 1xwe n SER 1637Cb 0.27 -0.11 -0.06 0.00 -1.01 0.00 0.00 64.21 63.29 1xwe n SER 1637CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1xwe n SER 1638N 0.22 -5.44 -3.35 6.43 7.64 -1.19 -4.90 113.62 113.03 1xwe n SER 1638Ca 0.15 0.37 -0.11 0.00 1.01 0.00 0.00 58.87 60.29 1xwe n SER 1638Cb 0.29 -4.37 -0.08 0.00 -1.01 0.00 0.00 64.21 59.05 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 5.35 2.02 0.14 0.00 0.00 -1.25 -4.09 117.38 119.55 1xwe n GLN 1640Ca -0.02 -1.54 0.11 0.00 0.00 0.00 0.00 57.00 55.55 1xwe n GLN 1640Cb 0.49 -1.44 0.52 0.00 0.00 0.00 0.00 30.24 29.81 1xwe n GLN 1640CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1xwe n ALA 1641N 0.77 1.39 -0.02 2.61 0.00 -1.26 -1.91 120.51 122.09 1xwe n ALA 1641Ca 0.17 0.13 -0.12 0.00 0.00 0.00 0.00 53.44 53.62 1xwe n ALA 1641Cb 0.44 -1.35 -0.14 0.00 0.00 0.00 0.00 19.45 18.40 1xwe n ALA 1641CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1xwe n PHE 1642N -2.22 1.00 0.23 0.00 7.35 -1.26 -4.00 117.46 118.55 1xwe n PHE 1642Ca 0.01 0.31 0.11 0.00 -0.76 0.00 0.00 57.45 57.12 1xwe n PHE 1642Cb 0.14 -1.17 0.47 0.00 0.35 0.00 0.00 39.48 39.27 1xwe n PHE 1642CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1xwe h LEU 1643N 0.02 0.00 -0.80 -2.13 -0.00 -1.64 -2.65 115.31 108.11 1xwe h LEU 1643Ca -0.34 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.54 1xwe h LEU 1643Cb 2.03 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 42.69 1xwe h LEU 1643CO 0.08 0.18 -0.01 0.00 -0.00 0.00 0.00 178.44 178.69 1xwe h ALA 1644N 1.82 1.00 0.03 1.53 0.00 -1.62 -2.45 119.26 119.56 1xwe h ALA 1644Ca -0.00 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.70 1xwe h ALA 1644Cb 0.74 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1xwe h ALA 1644CO 0.02 0.01 -1.06 -0.91 0.00 0.00 0.00 179.25 177.32 1xwe h ASN 1645N 0.00 0.09 0.24 0.00 4.21 -1.63 -3.36 115.58 115.14 1xwe h ASN 1645Ca -0.00 -0.70 -0.03 0.00 1.21 0.00 0.00 56.30 56.78 1xwe h ASN 1645Cb 0.74 -0.03 -0.00 0.00 -1.12 0.00 0.00 38.32 37.90 1xwe h ASN 1645CO 0.00 1.43 -0.13 -0.07 -1.29 0.00 0.00 177.43 177.37 1xwe h LEU 1646N -0.82 0.00 -1.90 1.61 4.07 -1.57 -1.38 115.31 115.32 1xwe h LEU 1646Ca -0.27 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.66 1xwe h LEU 1646Cb 1.36 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 43.10 1xwe h LEU 1646CO -0.10 0.13 -0.12 -0.78 -1.08 0.00 0.00 178.44 176.49 1xwe h ASP 1647N 0.00 0.00 0.30 -0.43 3.58 -1.58 -2.04 116.42 116.26 1xwe h ASP 1647Ca -0.00 0.00 -0.20 0.00 0.42 0.00 0.00 57.03 57.25 1xwe h ASP 1647Cb 0.28 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.33 1xwe h ASP 1647CO 0.02 0.12 -0.79 -0.33 -2.88 0.00 0.00 179.24 175.37 1xwe h GLU 1648N 0.00 0.39 0.00 0.28 4.39 -1.38 -3.09 114.58 115.16 1xwe h GLU 1648Ca -0.00 -0.35 -0.07 0.00 0.34 0.00 0.00 59.36 59.28 1xwe h GLU 1648Cb 0.33 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.05 1xwe h GLU 1648CO 0.02 1.00 -0.33 0.35 -1.16 0.00 0.00 179.01 178.89 1xwe h PHE 1649N 0.25 0.00 0.68 4.33 3.57 -1.41 -2.71 116.94 121.64 1xwe h PHE 1649Ca -0.04 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.42 1xwe h PHE 1649Cb 1.39 0.00 0.01 0.00 2.79 0.00 0.00 35.95 40.14 1xwe h PHE 1649CO 0.05 0.33 -0.33 0.00 -2.23 0.00 0.00 178.31 176.12 1xwe h ALA 1650N 1.67 -1.24 0.00 2.41 0.00 -1.37 -2.48 119.26 118.25 1xwe h ALA 1650Ca -0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1xwe h ALA 1650Cb 0.90 0.36 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1xwe h ALA 1650CO 0.04 -1.18 0.00 -1.91 0.00 0.00 0.00 179.25 176.20 1xwe n GLU 1651N -4.46 0.13 0.01 0.00 2.13 -1.24 -2.63 120.64 114.57 1xwe n GLU 1651Ca -0.11 0.13 -0.00 0.00 0.66 0.00 0.00 57.16 57.84 1xwe n GLU 1651Cb 0.36 -1.50 -0.00 0.00 0.27 0.00 0.00 31.44 30.57 1xwe n GLU 1651CO 0.00 0.00 0.00 0.22 -0.41 0.00 0.00 177.13 176.94 1xwe h ASP 1652N 0.00 -0.02 0.13 4.31 3.58 -1.19 -1.65 116.42 121.58 1xwe h ASP 1652Ca 0.00 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.44 1xwe h ASP 1652Cb 0.27 0.01 -0.00 0.00 1.72 0.00 0.00 39.33 41.33 1xwe h ASP 1652CO 0.00 0.01 -0.07 -0.29 -2.88 0.00 0.00 179.24 176.01 1xwe h ILE 1653N -0.08 0.78 0.17 2.25 6.09 -1.55 0.43 117.51 125.59 1xwe h ILE 1653Ca -0.00 -0.29 -0.01 0.00 -1.37 0.00 0.00 64.86 63.19 1xwe h ILE 1653Cb 0.02 1.17 0.00 0.00 0.47 0.00 0.00 36.82 38.48 1xwe h ILE 1653CO 0.00 0.07 -0.08 0.15 -3.07 0.00 0.00 178.15 175.23 1xwe h PHE 1654N 0.00 -0.21 0.00 2.19 3.57 -1.62 -3.07 116.94 117.80 1xwe h PHE 1654Ca -0.00 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1xwe h PHE 1654Cb 0.16 0.07 0.00 0.00 2.79 0.00 0.00 35.95 38.97 1xwe h PHE 1654CO 0.00 0.23 -0.07 1.25 -2.23 0.00 0.00 178.31 177.49 1xwe h LEU 1655N -0.80 0.00 0.00 0.59 5.85 -1.10 -3.42 115.31 116.43 1xwe h LEU 1655Ca -0.02 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.70 1xwe h LEU 1655Cb 0.53 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.56 1xwe h LEU 1655CO 0.04 0.36 0.00 0.59 -0.34 0.00 0.00 178.44 179.09 1xwe n ASN 1656N -3.80 0.00 -0.54 1.25 5.03 0.14 -5.05 115.26 112.29 1xwe n ASN 1656Ca -0.01 0.77 0.02 0.00 0.87 0.00 0.00 54.58 56.22 1xwe n ASN 1656Cb 0.03 -0.38 -0.01 0.00 -1.02 0.00 0.00 39.78 38.40 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 -0.18 -3.15 0.00 7.41 0.00 -0.53 -4.97 105.19 103.77 1xwe n GLY 1657Ca 0.00 -1.19 0.03 0.00 0.00 0.00 0.00 46.02 44.87 1xwe n GLY 1657CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32