#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 -1.19 0.05 1.61 3.41 -1.26 -5.07 113.62 111.17 1xwe n SER 1509Ca 0.00 -3.04 -0.22 0.00 -0.26 0.00 0.00 58.87 55.35 1xwe n SER 1509Cb 0.00 2.33 -0.15 0.00 -0.26 0.00 0.00 64.21 66.14 1xwe n SER 1509CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 1xwe h HIS 1510N 2.06 0.62 -3.02 7.33 -0.00 -2.09 -3.46 115.15 116.59 1xwe h HIS 1510Ca -0.27 -0.45 -0.61 0.00 -0.00 0.00 0.00 60.37 59.04 1xwe h HIS 1510Cb 1.22 -0.02 -0.06 0.00 -0.00 0.00 0.00 27.41 28.55 1xwe h HIS 1510CO 0.00 1.68 -0.23 1.41 -0.00 0.00 0.00 177.93 180.79 1xwe s MET 1511N -2.58 3.92 -0.05 2.45 -2.45 -1.26 -5.03 119.30 114.30 1xwe s MET 1511Ca -0.17 0.36 -0.08 0.00 -1.25 0.00 0.00 55.69 54.54 1xwe s MET 1511Cb 0.06 -3.24 0.02 0.00 1.25 0.00 0.00 34.83 32.91 1xwe s MET 1511CO 0.83 0.64 0.21 0.00 1.05 0.00 0.00 175.02 177.75 1xwe s ALA 1512N -0.89 -0.51 -0.31 4.11 0.00 -1.26 -5.04 121.76 117.86 1xwe s ALA 1512Ca 0.23 0.38 0.03 0.00 0.00 0.00 0.00 51.96 52.60 1xwe s ALA 1512Cb -0.16 -0.18 0.45 0.00 0.00 0.00 0.00 23.12 23.23 1xwe s ALA 1512CO 0.12 -0.15 1.59 -0.40 0.00 0.00 0.00 175.76 176.91 1xwe n ASP 1513N 2.33 3.55 -4.48 0.00 5.75 -1.26 -3.51 116.55 118.94 1xwe n ASP 1513Ca -0.17 -3.03 -0.45 0.00 -0.01 0.00 0.00 54.79 51.14 1xwe n ASP 1513Cb 0.57 -0.72 -0.08 0.00 -1.03 0.00 0.00 41.12 39.86 1xwe n ASP 1513CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1xwe n GLY 1515N 6.44 0.86 3.57 0.00 0.00 -1.05 -3.37 105.19 111.64 1xwe n GLY 1515Ca 0.47 -0.62 -0.60 0.00 0.00 0.00 0.00 46.02 45.27 1xwe n GLY 1515CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xwe n GLN 1516N -0.58 0.58 -3.94 1.61 10.64 0.10 -4.00 117.38 121.79 1xwe n GLN 1516Ca 0.00 0.20 -0.28 0.00 -1.83 0.00 0.00 57.00 55.09 1xwe n GLN 1516Cb 0.49 -1.87 -0.03 0.00 -0.86 0.00 0.00 30.24 27.96 1xwe n GLN 1516CO 0.00 0.00 0.00 -1.64 -1.83 0.00 0.00 177.06 173.59 1xwe s MET 1517N 4.43 3.44 0.73 2.61 -1.94 -1.08 -4.58 119.30 122.91 1xwe s MET 1517Ca 1.07 -0.55 -0.01 0.00 -1.71 0.00 0.00 55.69 54.49 1xwe s MET 1517Cb -1.24 -2.99 0.13 0.00 2.01 0.00 0.00 34.83 32.74 1xwe s MET 1517CO 0.67 0.55 1.00 -0.65 -0.01 0.00 0.00 175.02 176.58 1xwe s GLN 1518N -3.01 1.65 0.51 2.03 -1.52 -1.22 -5.06 119.66 113.03 1xwe s GLN 1518Ca 0.35 -1.11 -0.21 0.00 -1.95 0.00 0.00 55.36 52.43 1xwe s GLN 1518Cb -0.12 -2.32 -0.06 0.00 -0.22 0.00 0.00 33.01 30.29 1xwe s GLN 1518CO 0.28 -1.47 1.19 -1.21 -0.25 0.00 0.00 175.29 173.83 1xwe s GLU 1519N -5.16 3.46 0.55 2.91 0.41 -1.26 -4.68 118.70 114.93 1xwe s GLU 1519Ca 0.67 1.80 0.34 0.00 -0.41 0.00 0.00 54.97 57.36 1xwe s GLU 1519Cb -0.05 -2.21 1.46 0.00 -1.78 0.00 0.00 34.13 31.55 1xwe s GLU 1519CO 0.45 -0.81 2.02 0.93 -0.49 0.00 0.00 175.26 177.36 1xwe h GLU 1520N 1.58 0.00 -1.95 1.61 5.08 -1.97 -3.39 114.58 115.54 1xwe h GLU 1520Ca -0.50 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 57.59 1xwe h GLU 1520Cb 1.27 0.00 -0.31 0.00 0.50 0.00 0.00 28.75 30.21 1xwe h GLU 1520CO 0.58 0.04 -0.59 -0.51 -1.00 0.00 0.00 179.01 177.52 1xwe s LEU 1521N -6.33 -0.48 -0.25 1.33 1.43 -1.26 -4.54 118.68 108.58 1xwe s LEU 1521Ca -0.00 -0.60 -0.02 0.00 -1.03 0.00 0.00 54.13 52.48 1xwe s LEU 1521Cb 0.10 0.77 0.08 0.00 0.03 0.00 0.00 46.19 47.17 1xwe s LEU 1521CO 0.54 -0.37 0.06 1.51 0.23 0.00 0.00 176.35 178.32 1xwe s ASP 1522N 2.43 3.47 -0.00 2.29 -4.77 -1.26 -4.98 116.67 113.85 1xwe s ASP 1522Ca 0.10 -1.20 0.02 0.00 -3.30 0.00 0.00 52.55 48.16 1xwe s ASP 1522Cb -0.13 -0.72 0.07 0.00 -1.09 0.00 0.00 42.92 41.04 1xwe s ASP 1522CO -0.32 -0.35 1.02 0.18 0.70 0.00 0.00 175.17 176.40 1xwe n LEU 1523N 4.96 0.47 0.05 2.11 4.77 -1.26 -3.57 117.00 124.53 1xwe n LEU 1523Ca -0.06 -0.24 -0.22 0.00 -0.03 0.00 0.00 56.01 55.46 1xwe n LEU 1523Cb 0.44 -0.08 -0.14 0.00 -2.33 0.00 0.00 43.42 41.31 1xwe n LEU 1523CO 0.12 0.11 -0.56 0.71 -1.33 0.00 0.00 177.39 176.44 1xwe h THR 1524N 0.43 0.90 -3.37 -5.08 1.35 -2.03 -3.46 112.91 101.66 1xwe h THR 1524Ca 0.00 -2.45 -0.53 0.00 -0.55 0.00 0.00 66.41 62.87 1xwe h THR 1524Cb 0.14 2.70 -0.01 0.00 -1.73 0.00 0.00 68.15 69.25 1xwe h THR 1524CO 0.00 0.83 0.43 -0.63 -0.25 0.00 0.00 175.52 175.91 1xwe s ILE 1525N -2.55 4.52 0.31 6.82 1.01 -1.23 -5.05 121.20 125.02 1xwe s ILE 1525Ca -0.18 1.85 -0.02 0.00 0.00 0.00 0.00 60.65 62.30 1xwe s ILE 1525Cb 0.05 -4.18 0.07 0.00 0.01 0.00 0.00 42.46 38.41 1xwe s ILE 1525CO 0.82 0.17 0.43 -1.54 0.00 0.00 0.00 174.94 174.81 1xwe n SER 1526N 3.71 0.37 -0.38 3.58 3.41 -1.26 -4.98 113.62 118.08 1xwe n SER 1526Ca 0.06 -1.36 0.13 0.00 -0.26 0.00 0.00 58.87 57.44 1xwe n SER 1526Cb 0.49 -0.29 0.55 0.00 -0.26 0.00 0.00 64.21 64.70 1xwe n SER 1526CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xwe n ALA 1527N -3.08 2.58 -0.01 7.33 0.00 -1.26 -3.89 120.51 122.19 1xwe n ALA 1527Ca -0.07 -0.40 -0.01 0.00 0.00 0.00 0.00 53.44 52.96 1xwe n ALA 1527Cb 0.23 -1.21 -0.02 0.00 0.00 0.00 0.00 19.45 18.45 1xwe n ALA 1527CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1xwe n GLU 1528N -0.06 3.36 -0.16 0.00 1.02 -1.26 -4.16 120.64 119.38 1xwe n GLU 1528Ca 0.19 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.30 1xwe n GLU 1528Cb 0.28 -1.06 0.19 0.00 -0.02 0.00 0.00 31.44 30.84 1xwe n GLU 1528CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 1xwe h THR 1529N 0.00 1.22 -0.01 2.62 2.02 -1.95 -2.41 112.91 114.40 1xwe h THR 1529Ca -0.06 -0.72 0.00 0.00 0.77 0.00 0.00 66.41 66.40 1xwe h THR 1529Cb 1.14 0.53 0.00 0.00 -1.74 0.00 0.00 68.15 68.08 1xwe h THR 1529CO 0.00 0.28 -0.46 -2.11 0.37 0.00 0.00 175.52 173.60 1xwe n ARG 1530N -4.30 1.09 0.03 6.66 1.85 -1.25 -4.17 116.66 116.56 1xwe n ARG 1530Ca 0.05 -0.87 -0.09 0.00 -1.00 0.00 0.00 57.85 55.94 1xwe n ARG 1530Cb 0.19 -1.48 -0.13 0.00 -1.05 0.00 0.00 32.46 29.98 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 2.11 0.05 -0.44 2.89 3.11 -1.61 -3.29 116.57 119.39 1xwe h LYS 1531Ca 0.00 -0.08 0.13 0.00 -2.81 0.00 0.00 60.65 57.89 1xwe h LYS 1531Cb 0.70 0.03 -0.02 0.00 -1.00 0.00 0.00 32.23 31.94 1xwe h LYS 1531CO 0.00 0.86 0.39 1.96 -2.81 0.00 0.00 179.45 179.85 1xwe h GLN 1532N 0.01 0.00 -0.03 1.90 1.08 -1.61 0.32 115.11 116.79 1xwe h GLN 1532Ca -0.14 0.00 -0.17 0.00 -1.45 0.00 0.00 58.65 56.89 1xwe h GLN 1532Cb 1.89 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 29.31 1xwe h GLN 1532CO 0.12 0.00 -0.75 1.15 -0.95 0.00 0.00 178.83 178.40 1xwe h THR 1533N 0.00 1.45 0.00 -0.54 2.02 -1.82 -2.76 112.91 111.26 1xwe h THR 1533Ca 0.21 -2.34 0.00 0.00 0.77 0.00 0.00 66.41 65.05 1xwe h THR 1533Cb 0.99 2.26 0.00 0.00 -1.74 0.00 0.00 68.15 69.66 1xwe h THR 1533CO -0.00 0.68 0.00 0.00 0.37 0.00 0.00 175.52 176.57 1xwe n ALA 1534N -2.46 1.94 0.00 6.16 0.00 0.11 -2.09 120.51 124.18 1xwe n ALA 1534Ca -0.03 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1xwe n ALA 1534Cb 0.72 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 19.02 1xwe n ALA 1534CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xwe s LYS 1536N -0.54 1.95 0.48 0.00 1.02 -0.89 -4.90 119.74 116.86 1xwe s LYS 1536Ca 0.00 1.89 0.18 0.00 0.02 0.00 0.00 55.97 58.06 1xwe s LYS 1536Cb 0.00 -1.80 1.17 0.00 -0.52 0.00 0.00 37.83 36.68 1xwe s LYS 1536CO 0.00 -2.01 2.04 -1.00 -0.92 0.00 0.00 175.35 173.46 1xwe h PRO 1537N -0.38 0.00 0.00 -1.68 0.13 -1.93 -1.20 132.00 126.94 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 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1xwe h PRO 1537CO 0.49 0.14 0.00 -1.91 -0.23 0.00 0.00 178.00 176.48 1xwe n GLU 1538N -4.20 0.10 -4.93 0.86 4.07 -1.26 -4.65 120.64 110.63 1xwe n GLU 1538Ca -0.02 0.30 -0.33 0.00 -0.06 0.00 0.00 57.16 57.05 1xwe n GLU 1538Cb 0.21 -1.68 -0.14 0.00 -0.06 0.00 0.00 31.44 29.77 1xwe n GLU 1538CO 0.00 0.00 0.00 0.42 -0.06 0.00 0.00 177.13 177.49 1xwe s ILE 1539N -3.14 2.84 -0.03 6.31 -1.09 -0.45 -3.15 121.20 122.48 1xwe s ILE 1539Ca 0.07 -0.78 -0.04 0.00 -2.23 0.00 0.00 60.65 57.67 1xwe s ILE 1539Cb 0.10 -2.13 -0.01 0.00 -1.58 0.00 0.00 42.46 38.84 1xwe s ILE 1539CO 0.37 0.56 -0.08 0.00 -1.23 0.00 0.00 174.94 174.56 1xwe n ALA 1540N 2.89 0.83 -2.90 9.38 0.00 0.38 -4.63 120.51 126.47 1xwe n ALA 1540Ca -0.18 -0.32 -0.23 0.00 0.00 0.00 0.00 53.44 52.71 1xwe n ALA 1540Cb 0.52 0.02 -0.02 0.00 0.00 0.00 0.00 19.45 19.97 1xwe n ALA 1540CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1xwe s TYR 1541N -1.49 3.47 -0.30 0.00 -0.85 -0.55 -4.73 117.35 112.91 1xwe s TYR 1541Ca -0.06 0.10 -0.00 0.00 -0.52 0.00 0.00 57.07 56.59 1xwe s TYR 1541Cb 0.01 -1.67 0.13 0.00 0.38 0.00 0.00 41.96 40.81 1xwe s TYR 1541CO 0.10 0.41 0.29 0.00 -1.52 0.00 0.00 175.55 174.82 1xwe s ALA 1542N -1.95 -0.31 0.24 9.51 0.00 -0.93 -1.82 121.76 126.50 1xwe s ALA 1542Ca 0.35 -0.53 -0.13 0.00 0.00 0.00 0.00 51.96 51.66 1xwe s ALA 1542Cb -0.10 -1.79 -0.00 0.00 0.00 0.00 0.00 23.12 21.23 1xwe s ALA 1542CO 0.30 -1.77 0.47 1.52 0.00 0.00 0.00 175.76 176.28 1xwe s TYR 1543N 2.18 0.36 -0.12 0.00 -0.85 -0.95 -0.51 117.35 117.46 1xwe s TYR 1543Ca 0.11 -0.72 -0.06 0.00 -0.52 0.00 0.00 57.07 55.88 1xwe s TYR 1543Cb -0.15 0.18 -0.04 0.00 0.38 0.00 0.00 41.96 42.34 1xwe s TYR 1543CO -0.29 -0.98 0.09 0.21 -1.52 0.00 0.00 175.55 173.06 1xwe s LYS 1544N -4.01 3.44 0.30 -3.49 2.20 -0.69 -2.00 119.74 115.48 1xwe s LYS 1544Ca 0.22 -0.24 0.04 0.00 -0.36 0.00 0.00 55.97 55.63 1xwe s LYS 1544Cb -0.01 -3.10 -0.04 0.00 -1.51 0.00 0.00 37.83 33.18 1xwe s LYS 1544CO 0.09 0.66 0.19 0.14 -0.36 0.00 0.00 175.35 176.06 1xwe s VAL 1545N -0.72 0.18 -0.02 4.02 -7.23 -0.90 -0.54 120.40 115.20 1xwe s VAL 1545Ca 0.13 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.27 1xwe s VAL 1545Cb -0.12 -2.50 0.00 0.00 0.56 0.00 0.00 36.38 34.33 1xwe s VAL 1545CO 0.03 0.00 0.07 -0.55 -0.31 0.00 0.00 175.10 174.34 1xwe s SER 1546N -3.34 -0.03 0.11 4.85 0.15 -0.79 -1.46 113.70 113.18 1xwe s SER 1546Ca 0.37 0.05 -0.25 0.00 0.70 0.00 0.00 55.95 56.82 1xwe s SER 1546Cb 0.04 0.15 -0.07 0.00 -1.71 0.00 0.00 66.02 64.44 1xwe s SER 1546CO 0.19 -0.09 0.76 -0.63 1.20 0.00 0.00 173.24 174.67 1xwe s ILE 1547N -0.26 4.55 0.00 6.45 -1.09 -1.03 -1.71 121.20 128.11 1xwe s ILE 1547Ca -0.03 1.63 0.00 0.00 -2.23 0.00 0.00 60.65 60.02 1xwe s ILE 1547Cb -0.02 -4.11 0.00 0.00 -1.58 0.00 0.00 42.46 36.75 1xwe s ILE 1547CO 0.00 0.46 0.00 0.35 -1.23 0.00 0.00 174.94 174.52 1xwe n THR 1548N 2.12 0.00 -5.03 2.92 -2.24 -1.17 -1.12 114.28 109.76 1xwe n THR 1548Ca -0.05 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.43 1xwe n THR 1548Cb 0.49 -0.39 -0.15 0.00 -2.10 0.00 0.00 70.33 68.19 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 -3.79 3.27 -0.03 3.42 0.01 -1.08 -4.75 113.70 110.74 1xwe s SER 1549Ca 0.00 -0.49 0.00 0.00 1.31 0.00 0.00 55.95 56.77 1xwe s SER 1549Cb 0.00 -0.40 0.03 0.00 0.21 0.00 0.00 66.02 65.86 1xwe s SER 1549CO 0.00 0.29 -0.01 -0.63 0.41 0.00 0.00 173.24 173.30 1xwe s ILE 1550N -0.74 0.28 -0.01 1.44 1.01 -1.26 -1.98 121.20 119.94 1xwe s ILE 1550Ca 0.11 0.03 0.01 0.00 0.00 0.00 0.00 60.65 60.81 1xwe s ILE 1550Cb -0.10 -0.36 -0.00 0.00 0.01 0.00 0.00 42.46 42.01 1xwe s ILE 1550CO 0.01 0.17 -0.04 -0.89 0.00 0.00 0.00 174.94 174.19 1xwe s THR 1551N 1.03 0.33 -0.13 2.92 2.01 -0.98 -5.04 115.64 115.78 1xwe s THR 1551Ca -0.10 -0.16 0.02 0.00 0.31 0.00 0.00 61.69 61.76 1xwe s THR 1551Cb -0.14 -0.29 0.01 0.00 0.01 0.00 0.00 72.50 72.09 1xwe s THR 1551CO -0.01 0.10 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.12 1xwe s VAL 1552N -0.01 1.93 0.00 3.82 1.01 -1.26 -0.80 120.40 125.10 1xwe s VAL 1552Ca 0.01 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 61.08 1xwe s VAL 1552Cb -0.03 -1.72 0.00 0.00 0.00 0.00 0.00 36.38 34.63 1xwe s VAL 1552CO -0.00 0.53 0.00 -0.62 0.00 0.00 0.00 175.10 175.00 1xwe n GLU 1553N 4.11 0.00 0.00 2.72 -0.58 -1.25 -4.99 120.64 120.66 1xwe n GLU 1553Ca -0.20 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.54 1xwe n GLU 1553Cb 0.51 -0.15 0.00 0.00 -0.57 0.00 0.00 31.44 31.23 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 -0.88 0.00 -0.10 1.62 3.02 -1.26 -4.99 115.26 112.66 1xwe n ASN 1554Ca 0.00 0.00 -0.11 0.00 -0.03 0.00 0.00 54.58 54.44 1xwe n ASN 1554Cb 0.00 0.20 -0.15 0.00 -0.61 0.00 0.00 39.78 39.22 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 -2.22 1.38 -3.76 2.41 0.31 -1.26 -4.87 118.33 110.32 1xwe n VAL 1555Ca 0.00 -0.79 -0.37 0.00 -0.01 0.00 0.00 64.34 63.17 1xwe n VAL 1555Cb 0.00 -0.66 -0.12 0.00 -0.91 0.00 0.00 33.84 32.15 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 -2.49 3.19 0.03 3.52 0.08 -1.26 -2.82 117.98 118.23 1xwe s PHE 1556Ca -0.15 -1.15 -0.28 0.00 0.12 0.00 0.00 56.93 55.48 1xwe s PHE 1556Cb 0.06 -2.26 -0.04 0.00 -0.57 0.00 0.00 43.02 40.21 1xwe s PHE 1556CO 0.77 -0.64 0.89 0.08 -0.10 0.00 0.00 175.22 176.22 1xwe s VAL 1557N 1.46 4.78 -0.02 -0.44 1.01 -0.68 -3.86 120.40 122.65 1xwe s VAL 1557Ca 0.01 1.88 -0.05 0.00 0.00 0.00 0.00 61.98 63.81 1xwe s VAL 1557Cb -0.18 -4.23 -0.04 0.00 0.00 0.00 0.00 36.38 31.92 1xwe s VAL 1557CO 0.03 0.26 0.21 -0.54 0.00 0.00 0.00 175.10 175.05 1xwe s LYS 1558N 0.51 3.50 -0.04 2.72 -0.14 0.02 -1.91 119.74 124.40 1xwe s LYS 1558Ca 0.46 -0.18 -0.02 0.00 -1.36 0.00 0.00 55.97 54.87 1xwe s LYS 1558Cb -0.21 -3.11 0.03 0.00 -1.68 0.00 0.00 37.83 32.86 1xwe s LYS 1558CO 0.26 0.69 0.07 0.71 -0.76 0.00 0.00 175.35 176.31 1xwe s TYR 1559N -1.26 0.02 -0.19 3.18 2.02 0.60 -2.33 117.35 119.40 1xwe s TYR 1559Ca 0.25 0.28 -0.06 0.00 -0.37 0.00 0.00 57.07 57.17 1xwe s TYR 1559Cb -0.13 -0.40 -0.03 0.00 -0.40 0.00 0.00 41.96 41.00 1xwe s TYR 1559CO 0.15 -0.18 0.02 0.15 -1.57 0.00 0.00 175.55 174.12 1xwe s LYS 1560N 1.96 3.72 0.40 -0.62 -0.14 -0.84 -1.10 119.74 123.12 1xwe s LYS 1560Ca 0.02 -0.47 0.05 0.00 -1.36 0.00 0.00 55.97 54.21 1xwe s LYS 1560Cb -0.12 -3.11 -0.02 0.00 -1.68 0.00 0.00 37.83 32.89 1xwe s LYS 1560CO -0.03 0.09 0.18 0.00 -0.76 0.00 0.00 175.35 174.83 1xwe s ALA 1561N 0.81 2.68 0.01 5.17 0.00 -0.96 -2.64 121.76 126.83 1xwe s ALA 1561Ca 0.01 -1.42 0.05 0.00 0.00 0.00 0.00 51.96 50.60 1xwe s ALA 1561Cb -0.14 0.97 -0.02 0.00 0.00 0.00 0.00 23.12 23.93 1xwe s ALA 1561CO 0.02 -0.44 -0.15 0.99 0.00 0.00 0.00 175.76 176.19 1xwe s THR 1562N -3.26 1.17 -0.76 0.00 2.01 -0.69 -3.24 115.64 110.88 1xwe s THR 1562Ca 0.28 -0.78 -0.26 0.00 0.31 0.00 0.00 61.69 61.23 1xwe s THR 1562Cb 0.02 -1.01 0.02 0.00 0.01 0.00 0.00 72.50 71.54 1xwe s THR 1562CO 0.19 0.21 1.39 -0.22 -0.69 0.00 0.00 174.62 175.50 1xwe s LEU 1563N -0.66 3.22 0.20 4.42 0.20 -1.15 -1.89 118.68 123.02 1xwe s LEU 1563Ca 0.04 -0.47 -0.11 0.00 0.69 0.00 0.00 54.13 54.28 1xwe s LEU 1563Cb -0.07 -2.56 0.16 0.00 -0.43 0.00 0.00 46.19 43.30 1xwe s LEU 1563CO 0.00 -1.89 1.83 -0.07 -0.29 0.00 0.00 176.35 175.93 1xwe h LEU 1564N 13.56 0.62 -7.00 -0.68 4.07 -1.14 -0.96 115.31 123.78 1xwe h LEU 1564Ca -0.21 0.01 0.11 0.00 0.08 0.00 0.00 57.88 57.87 1xwe h LEU 1564Cb 1.06 -0.13 -0.27 0.00 1.08 0.00 0.00 40.66 42.40 1xwe h LEU 1564CO 1.29 0.43 0.63 -0.62 -1.08 0.00 0.00 178.44 179.09 1xwe s ASP 1565N -5.67 -0.30 -0.15 -0.43 -1.08 -0.95 -4.66 116.67 103.43 1xwe s ASP 1565Ca -0.13 0.48 -0.14 0.00 -0.52 0.00 0.00 52.55 52.25 1xwe s ASP 1565Cb 0.15 0.46 -0.05 0.00 -1.46 0.00 0.00 42.92 42.02 1xwe s ASP 1565CO 0.76 -0.16 0.30 -0.63 0.52 0.00 0.00 175.17 175.95 1xwe s ILE 1566N -0.32 5.30 -0.17 4.11 1.01 -1.26 -1.71 121.20 128.16 1xwe s ILE 1566Ca 0.03 0.56 0.13 0.00 0.00 0.00 0.00 60.65 61.37 1xwe s ILE 1566Cb -0.03 -3.63 -0.19 0.00 0.01 0.00 0.00 42.46 38.62 1xwe s ILE 1566CO -0.06 0.40 0.35 -1.22 0.00 0.00 0.00 174.94 174.41 1xwe n TYR 1567N 3.46 0.00 -3.36 3.97 4.02 -0.52 -4.92 117.16 119.80 1xwe n TYR 1567Ca -0.12 0.00 -0.01 0.00 -0.01 0.00 0.00 57.90 57.76 1xwe n TYR 1567Cb 0.52 -0.22 -0.04 0.00 -0.02 0.00 0.00 39.34 39.57 1xwe n TYR 1567CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 176.86 176.06 1xwe s LYS 1568N -2.73 0.50 0.48 -0.72 2.20 0.33 -4.62 119.74 115.18 1xwe s LYS 1568Ca -0.02 1.02 -0.20 0.00 -0.36 0.00 0.00 55.97 56.41 1xwe s LYS 1568Cb 0.09 0.40 -0.12 0.00 -1.51 0.00 0.00 37.83 36.69 1xwe s LYS 1568CO 0.54 -0.49 0.44 2.41 -0.36 0.00 0.00 175.35 177.90 1xwe n THR 1569N 5.42 1.66 -4.54 3.43 -1.04 -1.26 -2.19 114.28 115.75 1xwe n THR 1569Ca -0.05 -0.50 -0.34 0.00 -2.04 0.00 0.00 64.05 61.12 1xwe n THR 1569Cb 0.50 -0.50 -0.12 0.00 -1.82 0.00 0.00 70.33 68.39 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 1.70 0.57 3.41 0.00 -1.26 -4.31 107.32 106.41 1xwe s GLY 1570Ca 0.64 -0.86 0.38 0.00 0.00 0.00 0.00 44.72 44.88 1xwe s GLY 1570CO 0.58 -0.40 2.15 0.83 0.00 0.00 0.00 173.10 176.26 1xwe h GLU 1571N 5.89 0.00 -1.74 2.90 5.08 -1.92 -2.48 114.58 122.31 1xwe h GLU 1571Ca -0.40 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 57.70 1xwe h GLU 1571Cb 1.18 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.33 1xwe h GLU 1571CO 0.57 0.00 0.25 0.00 -1.00 0.00 0.00 179.01 178.83 1xwe n ALA 1572N -2.02 5.12 -3.22 3.43 0.00 -1.26 -4.81 120.51 117.75 1xwe n ALA 1572Ca -0.02 -1.44 -0.13 0.00 0.00 0.00 0.00 53.44 51.85 1xwe n ALA 1572Cb 0.12 -1.45 0.01 0.00 0.00 0.00 0.00 19.45 18.12 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 0.86 -8.13 -3.33 0.00 0.31 -1.01 -4.97 118.33 102.06 1xwe n VAL 1573Ca 0.26 0.14 -0.33 0.00 -0.01 0.00 0.00 64.34 64.39 1xwe n VAL 1573Cb 0.58 -5.73 -0.06 0.00 -0.91 0.00 0.00 33.84 27.73 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 -2.70 3.52 -0.20 3.52 0.00 -0.97 -4.98 121.76 119.96 1xwe s ALA 1574Ca 0.11 -0.15 -0.17 0.00 0.00 0.00 0.00 51.96 51.76 1xwe s ALA 1574Cb -0.02 -2.54 0.06 0.00 0.00 0.00 0.00 23.12 20.61 1xwe s ALA 1574CO 0.80 0.45 0.53 -2.00 0.00 0.00 0.00 175.76 175.54 1xwe s GLU 1575N -2.49 0.60 -0.28 0.00 2.56 -1.26 -4.75 118.70 113.07 1xwe s GLU 1575Ca 0.45 0.79 -0.39 0.00 0.00 0.00 0.00 54.97 55.83 1xwe s GLU 1575Cb -0.13 0.24 -0.14 0.00 2.00 0.00 0.00 34.13 36.10 1xwe s GLU 1575CO 0.20 -0.09 1.87 1.17 -0.56 0.00 0.00 175.26 177.85 1xwe n LYS 1576N 3.15 1.23 -3.10 4.30 4.81 -1.26 -0.90 118.16 126.40 1xwe n LYS 1576Ca -0.16 0.43 -0.13 0.00 -0.87 0.00 0.00 58.31 57.58 1xwe n LYS 1576Cb 0.56 -2.23 0.07 0.00 0.02 0.00 0.00 35.03 33.45 1xwe n LYS 1576CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1xwe n ASP 1577N 6.58 -2.53 -1.85 3.14 2.03 -0.36 -5.01 116.55 118.54 1xwe n ASP 1577Ca 0.30 -0.45 0.00 0.00 0.52 0.00 0.00 54.79 55.16 1xwe n ASP 1577Cb 0.16 -3.92 0.00 0.00 -0.72 0.00 0.00 41.12 36.65 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 -2.46 0.00 -4.14 1.67 3.41 -0.07 -4.68 113.62 107.35 1xwe n SER 1578Ca -0.18 -0.51 -0.33 0.00 -0.26 0.00 0.00 58.87 57.59 1xwe n SER 1578Cb 0.61 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.41 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 -0.68 2.87 0.01 4.33 2.12 -1.26 -2.91 118.70 123.18 1xwe s GLU 1579Ca 0.00 -0.92 0.05 0.00 0.36 0.00 0.00 54.97 54.46 1xwe s GLU 1579Cb 0.00 -2.71 -0.03 0.00 0.26 0.00 0.00 34.13 31.65 1xwe s GLU 1579CO 0.00 -0.29 -0.12 0.96 -0.54 0.00 0.00 175.26 175.27 1xwe s ILE 1580N 1.28 3.24 -0.31 -3.70 -4.36 -1.20 -5.04 121.20 111.10 1xwe s ILE 1580Ca 0.02 -0.93 0.01 0.00 -0.26 0.00 0.00 60.65 59.49 1xwe s ILE 1580Cb -0.15 -2.38 0.10 0.00 1.25 0.00 0.00 42.46 41.28 1xwe s ILE 1580CO -0.10 0.39 0.07 -0.89 0.24 0.00 0.00 174.94 174.65 1xwe s THR 1581N -0.94 1.44 -0.13 8.37 2.01 -1.26 -2.27 115.64 122.86 1xwe s THR 1581Ca 0.16 -1.73 -0.10 0.00 0.31 0.00 0.00 61.69 60.32 1xwe s THR 1581Cb -0.11 -2.05 -0.05 0.00 0.01 0.00 0.00 72.50 70.30 1xwe s THR 1581CO 0.06 -0.60 0.21 -0.36 -0.69 0.00 0.00 174.62 173.23 1xwe s PHE 1582N 1.34 3.54 0.07 4.92 0.40 -0.26 -0.41 117.98 127.57 1xwe s PHE 1582Ca 0.09 0.56 0.03 0.00 -0.60 0.00 0.00 56.93 57.01 1xwe s PHE 1582Cb -0.18 -2.13 -0.03 0.00 0.51 0.00 0.00 43.02 41.19 1xwe s PHE 1582CO -0.17 0.51 -0.09 0.96 0.70 0.00 0.00 175.22 177.13 1xwe s ILE 1583N -0.37 0.74 0.35 0.64 -4.36 -0.71 -0.29 121.20 117.19 1xwe s ILE 1583Ca 0.15 -1.37 0.04 0.00 -0.26 0.00 0.00 60.65 59.20 1xwe s ILE 1583Cb -0.13 -1.02 -0.06 0.00 1.25 0.00 0.00 42.46 42.51 1xwe s ILE 1583CO 0.04 -0.47 0.06 -1.59 0.24 0.00 0.00 174.94 173.21 1xwe s LYS 1584N -2.23 1.73 -0.32 0.37 -2.85 -0.80 -2.99 119.74 112.65 1xwe s LYS 1584Ca -0.02 -1.98 0.02 0.00 -1.00 0.00 0.00 55.97 53.00 1xwe s LYS 1584Cb -0.06 -0.97 0.44 0.00 -2.06 0.00 0.00 37.83 35.18 1xwe s LYS 1584CO -0.00 -0.20 1.67 1.63 0.10 0.00 0.00 175.35 178.55 1xwe n LYS 1585N -0.76 1.89 -1.27 1.78 5.02 -1.26 -1.69 118.16 121.87 1xwe n LYS 1585Ca -0.03 -2.08 -0.07 0.00 -2.02 0.00 0.00 58.31 54.11 1xwe n LYS 1585Cb 0.67 -1.81 -0.03 0.00 -0.02 0.00 0.00 35.03 33.83 1xwe n LYS 1585CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 1xwe n VAL 1586N -0.58 -0.02 0.00 -0.18 3.14 -1.13 -4.60 118.33 114.97 1xwe n VAL 1586Ca 0.41 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.79 1xwe n VAL 1586Cb 1.23 -0.69 0.00 0.00 -1.06 0.00 0.00 33.84 33.33 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 -1.54 0.00 -1.63 1.55 -2.24 -1.26 -5.00 114.28 104.15 1xwe n THR 1587Ca -0.07 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.28 1xwe n THR 1587Cb 0.25 -0.11 -0.03 0.00 -2.10 0.00 0.00 70.33 68.34 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 7.36 1.54 1.95 0.00 -1.04 -1.24 -4.10 114.28 118.74 1xwe n THR 1589Ca 0.28 -0.76 0.05 0.00 -2.04 0.00 0.00 64.05 61.57 1xwe n THR 1589Cb 0.44 -0.99 0.28 0.00 -1.82 0.00 0.00 70.33 68.24 1xwe n THR 1589CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1xwe n ASN 1590N -3.04 0.00 -3.67 8.00 5.03 -1.23 -4.56 115.26 115.79 1xwe n ASN 1590Ca -0.30 -1.66 -0.27 0.00 0.87 0.00 0.00 54.58 53.23 1xwe n ASN 1590Cb 1.08 0.00 -0.17 0.00 -1.02 0.00 0.00 39.78 39.67 1xwe n ASN 1590CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1xwe s ALA 1591N -2.00 0.75 -0.21 5.41 0.00 -1.22 -2.64 121.76 121.85 1xwe s ALA 1591Ca 0.14 -0.56 -0.03 0.00 0.00 0.00 0.00 51.96 51.51 1xwe s ALA 1591Cb 0.06 -1.13 0.07 0.00 0.00 0.00 0.00 23.12 22.12 1xwe s ALA 1591CO 0.11 -1.20 0.04 -1.21 0.00 0.00 0.00 175.76 173.50 1xwe s GLU 1592N 1.98 0.68 0.02 0.00 2.02 -1.26 -4.87 118.70 117.27 1xwe s GLU 1592Ca 0.01 -0.51 -0.14 0.00 0.02 0.00 0.00 54.97 54.35 1xwe s GLU 1592Cb -0.17 -2.09 -0.06 0.00 0.10 0.00 0.00 34.13 31.92 1xwe s GLU 1592CO -0.10 -0.69 0.41 -0.51 0.02 0.00 0.00 175.26 174.39 1xwe s LEU 1593N 1.82 4.45 -0.00 1.80 1.43 -1.26 -5.09 118.68 121.83 1xwe s LEU 1593Ca 0.00 0.94 0.01 0.00 -1.03 0.00 0.00 54.13 54.05 1xwe s LEU 1593Cb -0.17 -2.67 -0.00 0.00 0.03 0.00 0.00 46.19 43.38 1xwe s LEU 1593CO -0.11 0.29 -0.02 0.54 0.23 0.00 0.00 176.35 177.28 1xwe s VAL 1594N -1.15 0.19 0.69 -1.59 0.11 -1.26 -5.11 120.40 112.28 1xwe s VAL 1594Ca 0.26 -0.14 -0.15 0.00 -2.93 0.00 0.00 61.98 59.02 1xwe s VAL 1594Cb -0.16 -0.17 0.02 0.00 -1.53 0.00 0.00 36.38 34.53 1xwe s VAL 1594CO 0.14 0.03 1.13 -1.59 -3.33 0.00 0.00 175.10 171.49 1xwe s LYS 1595N -0.12 2.57 0.00 1.54 0.00 -1.26 -3.41 119.74 119.06 1xwe s LYS 1595Ca 0.00 1.47 0.00 0.00 0.00 0.00 0.00 55.97 57.44 1xwe s LYS 1595Cb -0.01 -1.91 0.00 0.00 0.00 0.00 0.00 37.83 35.90 1xwe s LYS 1595CO -0.00 -1.44 0.00 0.41 0.00 0.00 0.00 175.35 174.31 1xwe n GLY 1596N -0.32 2.77 3.99 0.59 0.00 -0.27 -4.95 105.19 107.00 1xwe n GLY 1596Ca 0.11 -0.08 -0.20 0.00 0.00 0.00 0.00 46.02 45.85 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 0.00 2.47 0.03 1.61 3.00 -1.22 -4.95 118.95 119.89 1xwe s ARG 1597Ca 0.00 -1.02 0.08 0.00 0.00 0.00 0.00 55.73 54.80 1xwe s ARG 1597Cb 0.00 -2.55 -0.03 0.00 0.00 0.00 0.00 34.95 32.38 1xwe s ARG 1597CO 0.00 -0.72 -0.24 -0.65 0.00 0.00 0.00 175.30 173.68 1xwe s GLN 1598N -4.71 1.69 -0.00 3.54 -0.21 -1.26 -2.47 119.66 116.23 1xwe s GLN 1598Ca 0.58 -1.01 -0.01 0.00 0.02 0.00 0.00 55.36 54.95 1xwe s GLN 1598Cb -0.09 -1.80 -0.00 0.00 1.00 0.00 0.00 33.01 32.11 1xwe s GLN 1598CO 0.38 0.47 0.01 0.71 -2.12 0.00 0.00 175.29 174.74 1xwe s TYR 1599N -0.76 0.03 -0.14 0.91 1.51 -0.54 -2.16 117.35 116.20 1xwe s TYR 1599Ca 0.10 -0.05 -0.20 0.00 -1.01 0.00 0.00 57.07 55.91 1xwe s TYR 1599Cb -0.09 -0.03 -0.03 0.00 -0.11 0.00 0.00 41.96 41.69 1xwe s TYR 1599CO 0.01 -0.05 0.57 -1.17 -1.11 0.00 0.00 175.55 173.81 1xwe s LEU 1600N -0.27 4.22 -0.08 -1.29 2.96 -0.52 -2.11 118.68 121.59 1xwe s LEU 1600Ca -0.03 0.87 0.04 0.00 -0.22 0.00 0.00 54.13 54.79 1xwe s LEU 1600Cb -0.02 -2.83 0.00 0.00 0.50 0.00 0.00 46.19 43.84 1xwe s LEU 1600CO -0.00 -0.13 -0.21 -0.63 -1.32 0.00 0.00 176.35 174.06 1xwe s ILE 1601N 1.19 1.79 -0.15 6.68 1.01 -0.85 -2.07 121.20 128.81 1xwe s ILE 1601Ca 0.29 -0.88 -0.04 0.00 0.00 0.00 0.00 60.65 60.02 1xwe s ILE 1601Cb -0.16 -1.55 0.07 0.00 0.01 0.00 0.00 42.46 40.83 1xwe s ILE 1601CO 0.12 0.50 0.21 -0.04 0.00 0.00 0.00 174.94 175.73 1xwe s MET 1602N 0.29 0.13 0.00 2.79 -1.94 -0.80 -2.23 119.30 117.54 1xwe s MET 1602Ca -0.14 0.46 -0.05 0.00 -1.71 0.00 0.00 55.69 54.26 1xwe s MET 1602Cb -0.16 -0.60 0.02 0.00 2.01 0.00 0.00 34.83 36.09 1xwe s MET 1602CO 0.06 -0.45 0.22 0.41 -0.01 0.00 0.00 175.02 175.25 1xwe n GLY 1603N 5.33 0.65 3.25 -0.03 0.00 -0.75 -2.06 105.19 111.58 1xwe n GLY 1603Ca -0.05 -0.88 -0.35 0.00 0.00 0.00 0.00 46.02 44.74 1xwe n GLY 1603CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xwe n LYS 1604N -0.16 -0.10 -0.75 1.61 4.76 -1.19 -0.47 118.16 121.87 1xwe n LYS 1604Ca 0.01 -0.00 -0.07 0.00 -2.87 0.00 0.00 58.31 55.38 1xwe n LYS 1604Cb 0.10 -1.48 -0.05 0.00 -1.84 0.00 0.00 35.03 31.76 1xwe n LYS 1604CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 1xwe n GLU 1605N 0.18 1.46 0.00 1.97 -0.00 -1.26 -4.62 120.64 118.38 1xwe n GLU 1605Ca 0.04 -0.59 0.00 0.00 -0.00 0.00 0.00 57.16 56.61 1xwe n GLU 1605Cb 0.54 -1.43 0.00 0.00 -0.00 0.00 0.00 31.44 30.55 1xwe n GLU 1605CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1xwe n ALA 1606N 1.67 0.00 -1.98 -1.84 0.00 -1.26 -4.27 120.51 112.82 1xwe n ALA 1606Ca 0.19 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.42 1xwe n ALA 1606Cb 0.64 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.13 1xwe n ALA 1606CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1xwe s LEU 1607N 0.00 3.29 0.00 0.00 1.02 -1.21 -4.99 118.68 116.79 1xwe s LEU 1607Ca 0.00 -0.15 0.00 0.00 0.02 0.00 0.00 54.13 54.00 1xwe s LEU 1607Cb 0.00 -2.68 0.00 0.00 0.02 0.00 0.00 46.19 43.53 1xwe s LEU 1607CO 0.00 -1.17 0.47 0.00 0.02 0.00 0.00 176.35 175.67 1xwe n GLN 1608N -2.32 0.31 -3.09 1.70 10.64 -1.25 -4.09 117.38 119.29 1xwe n GLN 1608Ca 0.09 -0.58 -0.16 0.00 -1.83 0.00 0.00 57.00 54.52 1xwe n GLN 1608Cb 0.60 -0.78 -0.05 0.00 -0.86 0.00 0.00 30.24 29.15 1xwe n GLN 1608CO 0.00 0.00 0.00 0.44 -1.83 0.00 0.00 177.06 175.67 1xwe n ILE 1609N -0.11 -0.63 0.31 -0.39 -6.64 -1.15 -3.15 119.36 107.61 1xwe n ILE 1609Ca 0.00 -2.33 0.15 0.00 -1.77 0.00 0.00 62.75 58.80 1xwe n ILE 1609Cb 0.21 -0.41 0.68 0.00 -1.44 0.00 0.00 39.64 38.68 1xwe n ILE 1609CO 0.00 0.00 0.00 0.50 -1.77 0.00 0.00 176.55 175.28 1xwe h LYS 1610N 5.23 0.00 -5.67 6.28 3.64 -1.75 -3.44 116.57 120.85 1xwe h LYS 1610Ca 0.15 0.00 -0.61 0.00 -1.27 0.00 0.00 60.65 58.92 1xwe h LYS 1610Cb 1.00 0.00 -0.11 0.00 -0.41 0.00 0.00 32.23 32.71 1xwe h LYS 1610CO 0.22 0.00 -0.52 0.71 -2.27 0.00 0.00 179.45 177.59 1xwe s TYR 1611N -3.59 2.33 -0.06 1.91 1.51 -1.24 -4.97 117.35 113.25 1xwe s TYR 1611Ca 0.01 -0.72 -0.21 0.00 -1.01 0.00 0.00 57.07 55.14 1xwe s TYR 1611Cb 0.09 -1.82 -0.16 0.00 -0.11 0.00 0.00 41.96 39.96 1xwe s TYR 1611CO 0.42 0.23 0.84 -0.91 -1.11 0.00 0.00 175.55 175.02 1xwe h ASN 1612N 1.47 -0.14 0.07 2.29 4.21 -2.03 -3.39 115.58 118.05 1xwe h ASN 1612Ca -0.43 -0.41 -0.38 0.00 1.21 0.00 0.00 56.30 56.30 1xwe h ASN 1612Cb 1.27 0.04 -0.04 0.00 -1.12 0.00 0.00 38.32 38.46 1xwe h ASN 1612CO 0.74 0.45 -2.22 0.00 -1.29 0.00 0.00 177.43 175.10 1xwe n ALA 1613N -2.57 1.14 -1.93 -0.83 0.00 -1.26 -4.97 120.51 110.10 1xwe n ALA 1613Ca -0.08 -0.83 -0.28 0.00 0.00 0.00 0.00 53.44 52.26 1xwe n ALA 1613Cb 0.27 -0.42 0.11 0.00 0.00 0.00 0.00 19.45 19.42 1xwe n ALA 1613CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1xwe s SER 1614N -6.79 4.22 -0.01 0.00 0.15 -1.26 -5.10 113.70 104.90 1xwe s SER 1614Ca -0.28 0.45 0.02 0.00 0.70 0.00 0.00 55.95 56.85 1xwe s SER 1614Cb 0.08 -0.86 -0.00 0.00 -1.71 0.00 0.00 66.02 63.52 1xwe s SER 1614CO 0.69 -2.03 -0.08 0.72 1.20 0.00 0.00 173.24 173.74 1xwe s PHE 1615N -3.53 0.73 -0.01 3.44 -0.71 -1.26 -3.58 117.98 113.06 1xwe s PHE 1615Ca 0.65 -0.15 -0.16 0.00 -1.04 0.00 0.00 56.93 56.23 1xwe s PHE 1615Cb -0.09 -0.49 0.03 0.00 -1.21 0.00 0.00 43.02 41.26 1xwe s PHE 1615CO 0.48 -0.03 0.35 0.50 -1.34 0.00 0.00 175.22 175.18 1xwe s ARG 1616N -0.09 0.73 -0.32 1.99 6.06 -1.19 -4.78 118.95 121.34 1xwe s ARG 1616Ca 0.02 -0.19 -0.10 0.00 -2.50 0.00 0.00 55.73 52.96 1xwe s ARG 1616Cb -0.04 0.32 0.00 0.00 0.06 0.00 0.00 34.95 35.29 1xwe s ARG 1616CO -0.00 -0.21 0.16 0.71 -2.50 0.00 0.00 175.30 173.46 1xwe s TYR 1617N -1.47 3.19 -0.03 5.12 1.51 -1.26 -2.92 117.35 121.49 1xwe s TYR 1617Ca -0.12 -0.68 0.01 0.00 -1.01 0.00 0.00 57.07 55.26 1xwe s TYR 1617Cb -0.04 -2.37 0.02 0.00 -0.11 0.00 0.00 41.96 39.46 1xwe s TYR 1617CO 0.04 -0.50 -0.03 0.96 -1.11 0.00 0.00 175.55 174.90 1xwe s ILE 1618N 1.59 0.37 -0.22 2.71 -4.36 -1.26 -4.89 121.20 115.15 1xwe s ILE 1618Ca 0.04 -0.08 -0.29 0.00 -0.26 0.00 0.00 60.65 60.06 1xwe s ILE 1618Cb -0.18 -0.40 0.01 0.00 1.25 0.00 0.00 42.46 43.14 1xwe s ILE 1618CO 0.06 0.16 1.03 -0.31 0.24 0.00 0.00 174.94 176.13 1xwe s TYR 1619N 0.64 3.36 0.00 1.37 1.51 0.45 -3.33 117.35 121.35 1xwe s TYR 1619Ca -0.07 1.48 0.00 0.00 -1.01 0.00 0.00 57.07 57.46 1xwe s TYR 1619Cb -0.11 -3.26 0.00 0.00 -0.11 0.00 0.00 41.96 38.49 1xwe s TYR 1619CO -0.00 -0.45 0.00 -0.35 -1.11 0.00 0.00 175.55 173.64 1xwe n PRO 1620N 6.17 0.44 -3.47 -1.71 -0.04 -1.26 -1.75 135.00 133.38 1xwe n PRO 1620Ca 0.12 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.38 1xwe n PRO 1620Cb 0.46 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.80 1xwe n PRO 1620CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1xwe s LEU 1621N 0.00 -0.03 0.43 1.53 1.43 -1.16 -4.49 118.68 116.39 1xwe s LEU 1621Ca 0.00 -0.65 0.04 0.00 -1.03 0.00 0.00 54.13 52.48 1xwe s LEU 1621Cb 0.00 0.28 -0.02 0.00 0.03 0.00 0.00 46.19 46.48 1xwe s LEU 1621CO 0.00 -0.37 0.13 -1.81 0.23 0.00 0.00 176.35 174.53 1xwe s ASP 1622N 2.29 2.95 0.35 2.29 1.11 -1.26 -4.66 116.67 119.75 1xwe s ASP 1622Ca 0.08 -1.71 0.27 0.00 0.18 0.00 0.00 52.55 51.37 1xwe s ASP 1622Cb -0.15 0.57 1.14 0.00 1.07 0.00 0.00 42.92 45.55 1xwe s ASP 1622CO -0.25 -0.97 1.80 0.77 1.18 0.00 0.00 175.17 177.70 1xwe h SER 1623N 1.72 0.00 0.74 0.27 4.64 -1.88 -1.89 113.55 117.14 1xwe h SER 1623Ca -0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 1xwe h SER 1623Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1xwe h SER 1623CO 0.56 0.00 -0.29 0.00 -0.87 0.00 0.00 176.83 176.23 1xwe n LEU 1624N -2.48 0.31 -4.60 5.97 -0.00 -1.26 -4.56 117.00 110.38 1xwe n LEU 1624Ca 0.01 0.22 -0.43 0.00 -0.00 0.00 0.00 56.01 55.82 1xwe n LEU 1624Cb 0.23 -0.35 -0.02 0.00 -0.00 0.00 0.00 43.42 43.28 1xwe n LEU 1624CO 0.21 0.06 1.11 -0.89 -0.00 0.00 0.00 177.39 177.88 1xwe s THR 1625N -3.01 4.09 -0.32 1.47 2.01 -0.74 -4.79 115.64 114.35 1xwe s THR 1625Ca 0.12 1.11 -0.29 0.00 0.31 0.00 0.00 61.69 62.94 1xwe s THR 1625Cb 0.18 -4.45 -0.00 0.00 0.01 0.00 0.00 72.50 68.24 1xwe s THR 1625CO 0.63 -0.91 1.39 0.86 -0.69 0.00 0.00 174.62 175.90 1xwe s TRP 1626N 4.83 2.50 -0.22 4.92 -0.11 -0.87 -4.69 118.94 125.30 1xwe s TRP 1626Ca 0.53 0.76 -0.01 0.00 1.22 0.00 0.00 56.10 58.60 1xwe s TRP 1626Cb -0.10 -4.04 0.06 0.00 -1.50 0.00 0.00 33.47 27.89 1xwe s TRP 1626CO 0.32 -1.99 0.01 0.42 -4.62 0.00 0.00 176.95 171.09 1xwe s ILE 1627N 4.86 0.91 -0.16 5.86 1.01 -1.24 -1.90 121.20 130.53 1xwe s ILE 1627Ca 0.60 -0.86 0.01 0.00 0.00 0.00 0.00 60.65 60.40 1xwe s ILE 1627Cb -0.17 -1.35 0.02 0.00 0.01 0.00 0.00 42.46 40.97 1xwe s ILE 1627CO 0.27 -0.21 -0.18 -0.70 0.00 0.00 0.00 174.94 174.13 1xwe s GLU 1628N 1.67 2.70 0.15 2.79 -6.30 -0.88 -3.42 118.70 115.42 1xwe s GLU 1628Ca -0.02 -0.72 -0.33 0.00 -2.50 0.00 0.00 54.97 51.41 1xwe s GLU 1628Cb -0.18 -2.37 -0.12 0.00 0.00 0.00 0.00 34.13 31.46 1xwe s GLU 1628CO -0.08 -0.21 1.71 0.98 0.02 0.00 0.00 175.26 177.68 1xwe n TYR 1629N 4.65 2.53 -3.17 5.30 9.36 -1.26 -1.44 117.16 133.14 1xwe n TYR 1629Ca -0.19 0.07 -0.43 0.00 3.32 0.00 0.00 57.90 60.66 1xwe n TYR 1629Cb 0.50 -2.64 -0.07 0.00 -0.63 0.00 0.00 39.34 36.50 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 1.66 3.07 -0.31 2.98 -0.11 -0.92 -4.83 118.94 120.49 1xwe s TRP 1630Ca 0.79 -0.41 -0.37 0.00 1.22 0.00 0.00 56.10 57.33 1xwe s TRP 1630Cb -0.57 -3.41 -0.13 0.00 -1.50 0.00 0.00 33.47 27.86 1xwe s TRP 1630CO 0.37 -0.96 2.03 -2.30 -4.62 0.00 0.00 176.95 171.47 1xwe n PRO 1631N 6.12 1.18 0.08 5.86 -0.02 -1.26 -4.61 135.00 142.35 1xwe n PRO 1631Ca -0.06 0.37 -0.05 0.00 -2.02 0.00 0.00 63.50 61.75 1xwe n PRO 1631Cb 0.46 -2.34 -0.07 0.00 -0.02 0.00 0.00 33.50 31.52 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 10.46 0.00 -6.30 -0.52 2.43 -1.94 -3.44 114.38 115.06 1xwe h ARG 1632Ca -0.34 0.00 -0.55 0.00 -0.81 0.00 0.00 59.98 58.28 1xwe h ARG 1632Cb 1.32 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.84 1xwe h ARG 1632CO 1.00 0.87 0.43 -0.51 -1.51 0.00 0.00 179.97 180.25 1xwe s ASP 1633N -6.66 7.27 0.00 -3.80 1.01 -1.26 -4.86 116.67 108.37 1xwe s ASP 1633Ca 0.02 1.55 0.00 0.00 0.71 0.00 0.00 52.55 54.82 1xwe s ASP 1633Cb 0.10 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.48 1xwe s ASP 1633CO 0.80 -0.33 0.00 0.35 0.21 0.00 0.00 175.17 176.20 1xwe n THR 1634N 4.20 0.00 0.55 -1.27 -2.24 -1.26 -4.58 114.28 109.67 1xwe n THR 1634Ca 0.06 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.93 1xwe n THR 1634Cb 0.50 -0.22 0.24 0.00 -2.10 0.00 0.00 70.33 68.75 1xwe n THR 1634CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1xwe n THR 1635N -0.84 0.58 -2.87 4.28 -2.24 -1.26 -4.35 114.28 107.58 1xwe n THR 1635Ca 0.00 -0.62 -0.43 0.00 -2.27 0.00 0.00 64.05 60.73 1xwe n THR 1635Cb 0.12 0.38 -0.04 0.00 -2.10 0.00 0.00 70.33 68.69 1xwe n THR 1635CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xwe n SER 1637N 7.55 0.00 -0.43 0.00 2.88 -1.26 -2.21 113.62 120.15 1xwe n SER 1637Ca -0.02 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.50 1xwe n SER 1637Cb 0.46 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.91 1xwe n SER 1637CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1xwe n SER 1638N 2.43 -0.18 0.00 -3.46 2.88 -1.26 -4.95 113.62 109.08 1xwe n SER 1638Ca 0.00 -0.69 0.02 0.00 -1.33 0.00 0.00 58.87 56.87 1xwe n SER 1638Cb 0.00 0.05 0.12 0.00 -0.75 0.00 0.00 64.21 63.63 1xwe n SER 1638CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1xwe n GLN 1640N -0.58 1.09 0.27 0.00 10.64 -1.26 -3.84 117.38 123.70 1xwe n GLN 1640Ca 0.03 -0.14 0.11 0.00 -1.83 0.00 0.00 57.00 55.16 1xwe n GLN 1640Cb 0.01 -1.04 0.73 0.00 -0.86 0.00 0.00 30.24 29.08 1xwe n GLN 1640CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1xwe h ALA 1641N 3.08 1.71 -0.03 2.61 0.00 -1.93 -1.97 119.26 122.73 1xwe h ALA 1641Ca 0.00 -0.04 -0.24 0.00 0.00 0.00 0.00 54.91 54.63 1xwe h ALA 1641Cb 0.05 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.85 1xwe h ALA 1641CO 0.00 0.05 -0.94 0.35 0.00 0.00 0.00 179.25 178.71 1xwe h PHE 1642N 0.00 0.86 0.00 0.00 3.57 -1.91 -3.09 116.94 116.37 1xwe h PHE 1642Ca -0.00 -0.44 0.00 0.00 3.53 0.00 0.00 57.97 61.06 1xwe h PHE 1642Cb 0.09 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 38.72 1xwe h PHE 1642CO 0.00 1.27 0.00 -0.07 -2.23 0.00 0.00 178.31 177.28 1xwe h LEU 1643N 0.35 0.00 -1.80 0.59 -0.00 -1.63 -1.88 115.31 110.93 1xwe h LEU 1643Ca -0.09 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.78 1xwe h LEU 1643Cb 1.57 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 42.23 1xwe h LEU 1643CO 0.18 0.00 -0.05 0.00 -0.00 0.00 0.00 178.44 178.57 1xwe h ALA 1644N 2.09 1.05 0.07 1.53 0.00 -1.43 -2.58 119.26 119.99 1xwe h ALA 1644Ca 0.00 -0.04 -0.28 0.00 0.00 0.00 0.00 54.91 54.59 1xwe h ALA 1644Cb 0.22 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1xwe h ALA 1644CO 0.00 0.06 -1.47 -0.91 0.00 0.00 0.00 179.25 176.93 1xwe h ASN 1645N 0.00 0.22 -0.01 0.00 2.35 -1.51 -3.32 115.58 113.31 1xwe h ASN 1645Ca -0.00 -0.31 -0.05 0.00 -0.55 0.00 0.00 56.30 55.38 1xwe h ASN 1645Cb 0.41 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.69 1xwe h ASN 1645CO 0.01 1.26 -0.13 -0.07 -1.65 0.00 0.00 177.43 176.85 1xwe h LEU 1646N 0.04 0.27 -0.64 1.61 -0.00 -1.55 -1.85 115.31 113.20 1xwe h LEU 1646Ca -0.21 -0.06 -0.01 0.00 -0.00 0.00 0.00 57.88 57.60 1xwe h LEU 1646Cb 1.96 -0.07 -0.03 0.00 -0.00 0.00 0.00 40.66 42.52 1xwe h LEU 1646CO 0.13 0.44 0.35 -0.78 -0.00 0.00 0.00 178.44 178.58 1xwe h ASP 1647N 0.27 0.80 0.15 -0.43 1.82 -1.62 -0.57 116.42 116.84 1xwe h ASP 1647Ca 0.05 -0.10 -0.18 0.00 -0.39 0.00 0.00 57.03 56.42 1xwe h ASP 1647Cb 0.40 -0.20 -0.00 0.00 0.68 0.00 0.00 39.33 40.21 1xwe h ASP 1647CO 0.02 0.67 -0.66 -0.33 -1.61 0.00 0.00 179.24 177.33 1xwe h GLU 1648N 0.87 0.48 -0.10 0.28 4.39 -1.61 -3.08 114.58 115.81 1xwe h GLU 1648Ca 0.22 -0.36 -0.08 0.00 0.34 0.00 0.00 59.36 59.49 1xwe h GLU 1648Cb 0.05 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.75 1xwe h GLU 1648CO -0.04 0.98 -0.29 0.35 -1.16 0.00 0.00 179.01 178.86 1xwe h PHE 1649N 0.35 0.20 0.00 4.33 3.57 -1.01 0.15 116.94 124.53 1xwe h PHE 1649Ca -0.02 -0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.42 1xwe h PHE 1649Cb 1.23 -0.05 -0.00 0.00 2.79 0.00 0.00 35.95 39.91 1xwe h PHE 1649CO 0.05 0.45 -0.10 0.00 -2.23 0.00 0.00 178.31 176.48 1xwe h ALA 1650N 1.55 1.01 -0.01 2.41 0.00 -1.02 -2.92 119.26 120.28 1xwe h ALA 1650Ca 0.02 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1xwe h ALA 1650Cb 0.60 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1xwe h ALA 1650CO 0.04 0.12 -0.19 -1.91 0.00 0.00 0.00 179.25 177.31 1xwe n GLU 1651N -3.22 1.78 0.00 0.00 2.13 -0.90 -4.26 120.64 116.17 1xwe n GLU 1651Ca 0.01 -0.73 0.00 0.00 0.66 0.00 0.00 57.16 57.10 1xwe n GLU 1651Cb 0.37 -1.13 0.00 0.00 0.27 0.00 0.00 31.44 30.95 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 0.00 0.18 4.31 2.03 0.48 -3.10 116.55 120.36 1xwe n ASP 1652Ca 0.05 0.21 0.14 0.00 0.52 0.00 0.00 54.79 55.71 1xwe n ASP 1652Cb 0.24 -0.48 0.73 0.00 -0.72 0.00 0.00 41.12 40.90 1xwe n ASP 1652CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 1xwe h ILE 1653N 0.00 0.74 0.06 5.18 -0.00 -1.77 0.48 117.51 122.20 1xwe h ILE 1653Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 64.86 64.86 1xwe h ILE 1653Cb 0.00 0.89 0.00 0.00 -0.00 0.00 0.00 36.82 37.71 1xwe h ILE 1653CO 0.00 0.00 -0.03 0.15 -0.00 0.00 0.00 178.15 178.27 1xwe h PHE 1654N 0.00 -0.08 0.00 2.19 3.57 -1.75 -3.29 116.94 117.59 1xwe h PHE 1654Ca 0.09 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.59 1xwe h PHE 1654Cb 0.39 0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.16 1xwe h PHE 1654CO 0.00 0.52 -0.01 1.25 -2.23 0.00 0.00 178.31 177.83 1xwe h LEU 1655N -0.86 0.00 0.00 0.59 6.46 -1.40 -3.43 115.31 116.68 1xwe h LEU 1655Ca -0.01 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.75 1xwe h LEU 1655Cb 0.63 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.56 1xwe h LEU 1655CO 0.01 0.04 0.00 0.59 -0.62 0.00 0.00 178.44 178.46 1xwe n ASN 1656N -2.28 0.00 -0.83 1.25 3.02 0.16 -5.01 115.26 111.57 1xwe n ASN 1656Ca -0.00 0.64 0.02 0.00 -0.03 0.00 0.00 54.58 55.20 1xwe n ASN 1656Cb 0.01 -0.14 -0.01 0.00 -0.61 0.00 0.00 39.78 39.03 1xwe n ASN 1656CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xwe n GLY 1657N -0.74 -3.40 0.00 7.41 0.00 -0.50 -4.98 105.19 102.98 1xwe n GLY 1657Ca 0.00 -1.09 0.07 0.00 0.00 0.00 0.00 46.02 45.00 1xwe n GLY 1657CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32