#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 -6.39 -4.26 1.61 7.64 -1.26 -4.80 113.62 106.16 1xwe n SER 1509Ca 0.00 0.46 -0.32 0.00 1.01 0.00 0.00 58.87 60.02 1xwe n SER 1509Cb 0.00 -1.31 -0.16 0.00 -1.01 0.00 0.00 64.21 61.73 1xwe n SER 1509CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1xwe s HIS 1510N -0.68 2.64 -0.20 1.43 4.02 -1.26 -5.11 115.29 116.13 1xwe s HIS 1510Ca 0.00 -0.95 -0.02 0.00 1.02 0.00 0.00 55.06 55.11 1xwe s HIS 1510Cb 0.00 -1.75 -0.01 0.00 -1.02 0.00 0.00 32.58 29.80 1xwe s HIS 1510CO 0.00 -0.37 -0.08 -1.64 1.02 0.00 0.00 174.74 173.67 1xwe s MET 1511N 0.37 3.33 0.04 1.40 1.00 -1.26 -4.94 119.30 119.24 1xwe s MET 1511Ca -0.16 -0.66 -0.18 0.00 0.00 0.00 0.00 55.69 54.69 1xwe s MET 1511Cb -0.17 -2.88 0.03 0.00 0.00 0.00 0.00 34.83 31.82 1xwe s MET 1511CO 0.08 -0.11 0.40 0.00 0.00 0.00 0.00 175.02 175.38 1xwe s ALA 1512N 1.22 -0.98 0.01 3.03 0.00 -1.26 -5.09 121.76 118.68 1xwe s ALA 1512Ca 0.02 0.32 -0.13 0.00 0.00 0.00 0.00 51.96 52.17 1xwe s ALA 1512Cb -0.14 0.31 -0.07 0.00 0.00 0.00 0.00 23.12 23.21 1xwe s ALA 1512CO -0.03 -0.43 0.90 -0.44 0.00 0.00 0.00 175.76 175.76 1xwe h ASP 1513N 3.11 -0.38 -4.90 0.00 5.19 -1.99 -3.39 116.42 114.06 1xwe h ASP 1513Ca -0.31 0.01 0.01 0.00 -0.62 0.00 0.00 57.03 56.12 1xwe h ASP 1513Cb 1.20 0.10 -0.07 0.00 0.18 0.00 0.00 39.33 40.74 1xwe h ASP 1513CO 0.43 -0.21 -1.27 0.00 -3.12 0.00 0.00 179.24 175.07 1xwe n GLY 1515N 1.82 2.51 2.75 0.00 0.00 -1.20 -3.30 105.19 107.76 1xwe n GLY 1515Ca -0.22 -0.54 -0.03 0.00 0.00 0.00 0.00 46.02 45.23 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 -3.54 -4.00 1.61 -0.06 -1.26 -3.80 117.38 106.33 1xwe n GLN 1516Ca 0.00 2.78 -0.25 0.00 -2.00 0.00 0.00 57.00 57.53 1xwe n GLN 1516Cb 0.00 -4.11 -0.04 0.00 -4.06 0.00 0.00 30.24 22.03 1xwe n GLN 1516CO 0.00 0.00 0.00 -1.64 -0.20 0.00 0.00 177.06 175.22 1xwe s MET 1517N -0.76 3.24 0.46 3.69 -1.94 -1.18 -4.55 119.30 118.25 1xwe s MET 1517Ca -0.17 -0.74 -0.05 0.00 -1.71 0.00 0.00 55.69 53.03 1xwe s MET 1517Cb 0.01 -2.83 0.10 0.00 2.01 0.00 0.00 34.83 34.13 1xwe s MET 1517CO 0.60 0.49 0.63 0.00 -0.01 0.00 0.00 175.02 176.73 1xwe n GLN 1518N -0.66 -0.25 -0.04 2.03 10.64 -1.20 -5.04 117.38 122.86 1xwe n GLN 1518Ca -0.08 -1.29 -0.01 0.00 -1.83 0.00 0.00 57.00 53.79 1xwe n GLN 1518Cb 0.55 -0.56 0.01 0.00 -0.86 0.00 0.00 30.24 29.38 1xwe n GLN 1518CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 1xwe n GLU 1519N -2.27 -1.10 -4.28 2.61 1.02 -1.26 -4.92 120.64 110.44 1xwe n GLU 1519Ca 0.09 -0.06 -0.21 0.00 -0.02 0.00 0.00 57.16 56.96 1xwe n GLU 1519Cb 0.32 -0.06 -0.16 0.00 -0.02 0.00 0.00 31.44 31.51 1xwe n GLU 1519CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1xwe s GLU 1520N -3.09 1.01 -1.57 3.49 2.02 -1.26 -4.55 118.70 114.75 1xwe s GLU 1520Ca 0.03 -0.19 0.00 0.00 0.02 0.00 0.00 54.97 54.83 1xwe s GLU 1520Cb -0.00 -0.94 0.00 0.00 0.10 0.00 0.00 34.13 33.28 1xwe s GLU 1520CO 0.02 -0.03 0.00 1.28 0.02 0.00 0.00 175.26 176.54 1xwe n LEU 1521N 3.89 -0.79 -4.55 1.80 4.77 -1.26 -4.92 117.00 115.94 1xwe n LEU 1521Ca -0.24 0.37 -0.43 0.00 -0.03 0.00 0.00 56.01 55.68 1xwe n LEU 1521Cb 0.51 -2.74 -0.04 0.00 -2.33 0.00 0.00 43.42 38.82 1xwe n LEU 1521CO 0.24 -1.06 0.79 -1.81 -1.33 0.00 0.00 177.39 174.23 1xwe s ASP 1522N -2.53 6.44 0.00 -1.43 1.11 -1.26 -4.87 116.67 114.12 1xwe s ASP 1522Ca 0.00 -0.04 0.12 0.00 0.18 0.00 0.00 52.55 52.81 1xwe s ASP 1522Cb 0.00 -2.46 0.70 0.00 1.07 0.00 0.00 42.92 42.23 1xwe s ASP 1522CO 0.00 -1.16 1.27 0.18 1.18 0.00 0.00 175.17 176.64 1xwe n LEU 1523N 7.42 0.00 0.30 1.23 4.77 -1.26 -3.51 117.00 125.96 1xwe n LEU 1523Ca 0.05 0.00 0.16 0.00 -0.03 0.00 0.00 56.01 56.19 1xwe n LEU 1523Cb 0.48 0.00 0.93 0.00 -2.33 0.00 0.00 43.42 42.50 1xwe n LEU 1523CO 0.65 0.00 1.11 0.00 -1.33 0.00 0.00 177.39 177.82 1xwe h THR 1524N 0.00 0.46 -3.33 -5.08 1.03 -2.01 -3.41 112.91 100.58 1xwe h THR 1524Ca 0.00 -0.07 -0.57 0.00 -0.01 0.00 0.00 66.41 65.76 1xwe h THR 1524Cb 0.00 1.05 -0.07 0.00 -1.07 0.00 0.00 68.15 68.06 1xwe h THR 1524CO 0.00 0.02 -0.05 -0.63 -0.01 0.00 0.00 175.52 174.84 1xwe s ILE 1525N -4.51 5.11 0.55 0.00 1.01 -1.23 -5.07 121.20 117.05 1xwe s ILE 1525Ca -0.05 1.14 -0.01 0.00 0.00 0.00 0.00 60.65 61.73 1xwe s ILE 1525Cb 0.15 -3.90 0.02 0.00 0.01 0.00 0.00 42.46 38.74 1xwe s ILE 1525CO 0.53 0.32 0.79 -0.55 0.00 0.00 0.00 174.94 176.04 1xwe s SER 1526N 0.53 5.44 0.52 3.58 0.15 -1.26 -4.99 113.70 117.68 1xwe s SER 1526Ca 0.30 0.26 0.31 0.00 0.70 0.00 0.00 55.95 57.53 1xwe s SER 1526Cb -0.16 -1.25 1.24 0.00 -1.71 0.00 0.00 66.02 64.13 1xwe s SER 1526CO 0.14 -1.05 1.94 0.00 1.20 0.00 0.00 173.24 175.46 1xwe h ALA 1527N 0.04 1.01 0.12 5.45 0.00 -1.98 -2.88 119.26 121.03 1xwe h ALA 1527Ca -0.44 -0.05 -0.36 0.00 0.00 0.00 0.00 54.91 54.06 1xwe h ALA 1527Cb 1.28 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 1xwe h ALA 1527CO 0.56 0.06 -2.00 0.39 0.00 0.00 0.00 179.25 178.27 1xwe n GLU 1528N -3.17 0.76 -0.22 0.00 1.02 -1.26 -3.50 120.64 114.26 1xwe n GLU 1528Ca 0.01 0.26 0.03 0.00 -0.02 0.00 0.00 57.16 57.44 1xwe n GLU 1528Cb 0.34 -1.71 0.27 0.00 -0.02 0.00 0.00 31.44 30.32 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 0.06 1.13 -0.10 2.62 2.02 -1.94 -1.54 112.91 115.16 1xwe h THR 1529Ca -0.43 -0.33 -0.16 0.00 0.77 0.00 0.00 66.41 66.26 1xwe h THR 1529Cb 2.03 0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 68.52 1xwe h THR 1529CO 0.08 0.17 -0.64 -0.09 0.37 0.00 0.00 175.52 175.42 1xwe h ARG 1530N 0.96 0.38 0.00 6.66 2.43 -1.67 -3.00 114.38 120.14 1xwe h ARG 1530Ca 0.31 -0.28 -0.06 0.00 -0.81 0.00 0.00 59.98 59.15 1xwe h ARG 1530Cb 0.04 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 1xwe h ARG 1530CO -0.09 0.90 -0.27 -0.22 -1.51 0.00 0.00 179.97 178.78 1xwe h LYS 1531N 0.28 0.00 -0.02 0.20 1.63 -1.35 -2.31 116.57 114.99 1xwe h LYS 1531Ca -0.01 0.00 0.01 0.00 -0.85 0.00 0.00 60.65 59.79 1xwe h LYS 1531Cb 1.19 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.81 1xwe h LYS 1531CO 0.11 0.27 0.13 1.96 -3.45 0.00 0.00 179.45 178.47 1xwe h GLN 1532N 0.00 0.00 0.00 1.90 1.08 -1.19 0.85 115.11 117.75 1xwe h GLN 1532Ca -0.00 0.00 -0.30 0.00 -1.45 0.00 0.00 58.65 56.90 1xwe h GLN 1532Cb 0.57 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.95 1xwe h GLN 1532CO 0.03 0.00 -1.75 2.41 -0.95 0.00 0.00 178.83 178.57 1xwe n THR 1533N -3.10 1.60 1.28 -0.54 -1.04 -0.87 -3.90 114.28 107.71 1xwe n THR 1533Ca -0.02 -0.80 0.09 0.00 -2.04 0.00 0.00 64.05 61.28 1xwe n THR 1533Cb 0.20 -1.03 0.51 0.00 -1.82 0.00 0.00 70.33 68.19 1xwe n THR 1533CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1xwe n ALA 1534N -2.58 2.24 -0.19 2.41 0.00 0.28 -2.19 120.51 120.49 1xwe n ALA 1534Ca -0.18 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.15 1xwe n ALA 1534Cb 1.06 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 19.23 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 -0.62 4.06 0.50 0.00 1.02 -0.93 -4.97 119.74 118.80 1xwe s LYS 1536Ca 0.00 0.67 0.16 0.00 0.02 0.00 0.00 55.97 56.82 1xwe s LYS 1536Cb 0.00 -2.66 1.20 0.00 -0.52 0.00 0.00 37.83 35.84 1xwe s LYS 1536CO 0.00 0.29 2.11 -1.35 -0.92 0.00 0.00 175.35 175.48 1xwe h PRO 1537N 2.83 0.00 0.00 -1.68 0.11 -1.96 -0.48 132.00 130.83 1xwe h PRO 1537Ca -0.48 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1xwe h PRO 1537Cb 1.18 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1xwe h PRO 1537CO 0.66 0.05 0.00 0.39 -0.21 0.00 0.00 178.00 178.89 1xwe n GLU 1538N -4.48 0.10 -3.97 1.05 -0.58 -1.26 -4.53 120.64 106.98 1xwe n GLU 1538Ca -0.03 0.29 -0.34 0.00 -0.42 0.00 0.00 57.16 56.65 1xwe n GLU 1538Cb 0.13 -1.67 -0.14 0.00 -0.57 0.00 0.00 31.44 29.18 1xwe n GLU 1538CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1xwe s ILE 1539N -3.13 2.84 -0.19 -3.67 -1.09 -0.19 -0.83 121.20 114.94 1xwe s ILE 1539Ca 0.07 -1.04 -0.16 0.00 -2.23 0.00 0.00 60.65 57.29 1xwe s ILE 1539Cb 0.11 -2.44 -0.12 0.00 -1.58 0.00 0.00 42.46 38.43 1xwe s ILE 1539CO 0.38 0.20 -0.04 0.00 -1.23 0.00 0.00 174.94 174.25 1xwe n ALA 1540N 4.66 0.72 -2.58 9.38 0.00 0.30 -4.55 120.51 128.44 1xwe n ALA 1540Ca -0.16 -0.56 -0.23 0.00 0.00 0.00 0.00 53.44 52.48 1xwe n ALA 1540Cb 0.47 -0.23 -0.07 0.00 0.00 0.00 0.00 19.45 19.62 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 -2.38 2.71 -0.30 0.00 -0.85 -0.34 -4.57 117.35 111.61 1xwe s TYR 1541Ca -0.25 -0.31 0.03 0.00 -0.52 0.00 0.00 57.07 56.01 1xwe s TYR 1541Cb 0.05 -1.45 0.17 0.00 0.38 0.00 0.00 41.96 41.11 1xwe s TYR 1541CO 0.44 0.46 0.44 0.00 -1.52 0.00 0.00 175.55 175.37 1xwe s ALA 1542N -2.38 -1.34 0.32 9.51 0.00 -0.91 -1.94 121.76 125.03 1xwe s ALA 1542Ca 0.35 0.21 0.04 0.00 0.00 0.00 0.00 51.96 52.56 1xwe s ALA 1542Cb -0.04 -2.17 -0.02 0.00 0.00 0.00 0.00 23.12 20.90 1xwe s ALA 1542CO 0.21 -1.82 0.34 2.48 0.00 0.00 0.00 175.76 176.97 1xwe n TYR 1543N 5.22 -0.98 -4.39 0.00 0.18 -0.81 0.01 117.16 116.40 1xwe n TYR 1543Ca 0.02 -2.54 -0.34 0.00 1.88 0.00 0.00 57.90 56.93 1xwe n TYR 1543Cb 0.50 0.36 -0.14 0.00 -0.38 0.00 0.00 39.34 39.68 1xwe n TYR 1543CO 0.00 0.00 0.00 0.21 -2.08 0.00 0.00 176.86 174.99 1xwe s LYS 1544N -3.12 3.38 0.48 -3.48 2.20 -0.26 -1.92 119.74 117.02 1xwe s LYS 1544Ca 0.35 -0.66 0.01 0.00 -0.36 0.00 0.00 55.97 55.31 1xwe s LYS 1544Cb 0.01 -2.78 0.01 0.00 -1.51 0.00 0.00 37.83 33.55 1xwe s LYS 1544CO 0.25 0.04 0.07 1.33 -0.36 0.00 0.00 175.35 176.68 1xwe n VAL 1545N 4.05 0.00 -3.49 4.02 0.24 -0.66 -0.07 118.33 122.42 1xwe n VAL 1545Ca -0.18 -2.19 -0.11 0.00 -2.04 0.00 0.00 64.34 59.81 1xwe n VAL 1545Cb 0.52 0.35 -0.10 0.00 -1.47 0.00 0.00 33.84 33.14 1xwe n VAL 1545CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1xwe s SER 1546N -3.67 0.35 -0.10 -1.34 1.04 0.50 -2.14 113.70 108.34 1xwe s SER 1546Ca 0.05 0.37 -0.34 0.00 0.48 0.00 0.00 55.95 56.51 1xwe s SER 1546Cb -0.00 0.97 -0.11 0.00 0.10 0.00 0.00 66.02 66.98 1xwe s SER 1546CO 0.03 -0.28 1.93 -0.38 0.98 0.00 0.00 173.24 175.52 1xwe n ILE 1547N 5.36 0.58 -0.00 -1.02 2.08 -0.61 -0.67 119.36 125.08 1xwe n ILE 1547Ca -0.05 -0.13 0.02 0.00 0.56 0.00 0.00 62.75 63.14 1xwe n ILE 1547Cb 0.50 -1.95 -0.03 0.00 -0.75 0.00 0.00 39.64 37.40 1xwe n ILE 1547CO 0.00 0.00 0.00 1.07 0.56 0.00 0.00 176.55 178.18 1xwe n THR 1548N 5.43 0.01 -3.82 1.39 5.66 -0.95 -0.83 114.28 121.16 1xwe n THR 1548Ca 0.24 -0.11 -0.11 0.00 -3.05 0.00 0.00 64.05 61.02 1xwe n THR 1548Cb 0.31 0.34 -0.08 0.00 -1.55 0.00 0.00 70.33 69.35 1xwe n THR 1548CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 1xwe s SER 1549N -2.56 -0.02 -0.09 1.09 0.15 -0.60 -4.85 113.70 106.83 1xwe s SER 1549Ca -0.02 -0.26 -0.08 0.00 0.70 0.00 0.00 55.95 56.29 1xwe s SER 1549Cb 0.03 0.29 0.02 0.00 -1.71 0.00 0.00 66.02 64.65 1xwe s SER 1549CO 0.19 -0.53 0.23 -0.63 1.20 0.00 0.00 173.24 173.70 1xwe s ILE 1550N -2.25 0.00 -0.05 6.45 1.01 -1.26 -2.11 121.20 123.00 1xwe s ILE 1550Ca -0.07 -0.02 -0.02 0.00 0.00 0.00 0.00 60.65 60.54 1xwe s ILE 1550Cb -0.02 -0.34 0.04 0.00 0.01 0.00 0.00 42.46 42.14 1xwe s ILE 1550CO -0.02 -0.01 0.09 -0.89 0.00 0.00 0.00 174.94 174.12 1xwe s THR 1551N 0.08 -0.09 -0.19 2.92 2.01 -0.54 -5.01 115.64 114.83 1xwe s THR 1551Ca -0.00 0.25 -0.05 0.00 0.31 0.00 0.00 61.69 62.20 1xwe s THR 1551Cb -0.02 -0.18 -0.03 0.00 0.01 0.00 0.00 72.50 72.29 1xwe s THR 1551CO 0.00 0.10 -0.00 -0.69 -0.69 0.00 0.00 174.62 173.34 1xwe s VAL 1552N 1.41 4.02 0.00 3.82 1.01 -1.26 0.18 120.40 129.57 1xwe s VAL 1552Ca -0.06 -0.30 0.00 0.00 0.00 0.00 0.00 61.98 61.63 1xwe s VAL 1552Cb -0.12 -2.80 0.00 0.00 0.00 0.00 0.00 36.38 33.45 1xwe s VAL 1552CO -0.04 0.44 0.00 -0.62 0.00 0.00 0.00 175.10 174.88 1xwe n GLU 1553N 4.02 2.02 0.00 2.72 -0.58 -0.79 -4.95 120.64 123.08 1xwe n GLU 1553Ca -0.17 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.57 1xwe n GLU 1553Cb 0.52 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.39 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 -1.54 0.00 -0.12 1.62 5.03 -1.26 -4.58 115.26 114.41 1xwe n ASN 1554Ca 0.00 0.81 -0.23 0.00 0.87 0.00 0.00 54.58 56.03 1xwe n ASN 1554Cb 0.00 -0.37 -0.11 0.00 -1.02 0.00 0.00 39.78 38.27 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 -1.61 1.54 -2.57 2.41 0.31 -1.26 -4.97 118.33 112.18 1xwe n VAL 1555Ca 0.00 -0.45 -0.23 0.00 -0.01 0.00 0.00 64.34 63.65 1xwe n VAL 1555Cb 0.00 -1.70 0.04 0.00 -0.91 0.00 0.00 33.84 31.27 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 -2.50 2.93 -0.05 3.52 0.08 -1.26 -2.03 117.98 118.67 1xwe s PHE 1556Ca -0.34 0.14 -0.01 0.00 0.12 0.00 0.00 56.93 56.84 1xwe s PHE 1556Cb 0.11 -2.80 0.03 0.00 -0.57 0.00 0.00 43.02 39.79 1xwe s PHE 1556CO 0.58 -0.93 0.02 0.08 -0.10 0.00 0.00 175.22 174.87 1xwe s VAL 1557N -2.85 0.17 0.29 -0.44 1.01 -0.10 -1.89 120.40 116.59 1xwe s VAL 1557Ca 0.57 0.21 -0.16 0.00 0.00 0.00 0.00 61.98 62.59 1xwe s VAL 1557Cb -0.10 -0.34 -0.09 0.00 0.00 0.00 0.00 36.38 35.85 1xwe s VAL 1557CO 0.40 0.20 0.74 -0.54 0.00 0.00 0.00 175.10 175.90 1xwe s LYS 1558N 1.77 4.08 -0.05 2.72 -0.14 0.13 -2.06 119.74 126.18 1xwe s LYS 1558Ca 0.01 0.74 -0.07 0.00 -1.36 0.00 0.00 55.97 55.29 1xwe s LYS 1558Cb -0.13 -2.56 0.01 0.00 -1.68 0.00 0.00 37.83 33.48 1xwe s LYS 1558CO -0.03 0.22 0.18 0.71 -0.76 0.00 0.00 175.35 175.67 1xwe s TYR 1559N -1.85 -0.14 -0.03 3.18 2.02 0.16 -1.47 117.35 119.21 1xwe s TYR 1559Ca 0.51 0.34 0.00 0.00 -0.37 0.00 0.00 57.07 57.55 1xwe s TYR 1559Cb -0.12 0.04 0.03 0.00 -0.40 0.00 0.00 41.96 41.51 1xwe s TYR 1559CO 0.18 -0.15 0.00 0.15 -1.57 0.00 0.00 175.55 174.16 1xwe s LYS 1560N -0.31 0.34 0.01 -0.62 1.02 -0.89 -0.39 119.74 118.89 1xwe s LYS 1560Ca -0.04 0.08 0.01 0.00 0.02 0.00 0.00 55.97 56.04 1xwe s LYS 1560Cb -0.03 -0.55 -0.01 0.00 -0.52 0.00 0.00 37.83 36.72 1xwe s LYS 1560CO 0.01 -0.16 -0.04 0.00 -0.92 0.00 0.00 175.35 174.24 1xwe s ALA 1561N 1.15 0.32 -0.16 5.17 0.00 -0.99 -1.56 121.76 125.70 1xwe s ALA 1561Ca -0.08 -0.28 -0.25 0.00 0.00 0.00 0.00 51.96 51.35 1xwe s ALA 1561Cb -0.13 -0.04 -0.02 0.00 0.00 0.00 0.00 23.12 22.93 1xwe s ALA 1561CO -0.02 0.04 0.82 0.99 0.00 0.00 0.00 175.76 177.59 1xwe s THR 1562N -0.40 4.90 -0.65 0.00 2.01 0.16 -3.34 115.64 118.32 1xwe s THR 1562Ca -0.02 1.62 -0.26 0.00 0.31 0.00 0.00 61.69 63.34 1xwe s THR 1562Cb -0.03 -4.13 -0.05 0.00 0.01 0.00 0.00 72.50 68.30 1xwe s THR 1562CO -0.00 0.05 2.05 -0.22 -0.69 0.00 0.00 174.62 175.81 1xwe s LEU 1563N 1.99 3.26 0.17 4.42 2.96 -1.15 -0.37 118.68 129.96 1xwe s LEU 1563Ca 0.38 0.31 -0.15 0.00 -0.22 0.00 0.00 54.13 54.46 1xwe s LEU 1563Cb -0.17 -2.53 0.12 0.00 0.50 0.00 0.00 46.19 44.11 1xwe s LEU 1563CO 0.13 -2.68 1.71 -0.07 -1.32 0.00 0.00 176.35 174.12 1xwe h LEU 1564N 17.92 -0.08 -7.14 -0.68 3.38 -0.74 0.31 115.31 128.28 1xwe h LEU 1564Ca -0.17 0.08 0.11 0.00 0.09 0.00 0.00 57.88 57.99 1xwe h LEU 1564Cb 1.15 0.13 -0.13 0.00 0.09 0.00 0.00 40.66 41.89 1xwe h LEU 1564CO 1.19 -0.00 0.47 -0.62 0.09 0.00 0.00 178.44 179.56 1xwe s ASP 1565N -5.28 -0.34 -0.10 -0.43 2.15 -0.56 -4.19 116.67 107.92 1xwe s ASP 1565Ca -0.13 -0.08 -0.01 0.00 0.43 0.00 0.00 52.55 52.75 1xwe s ASP 1565Cb 0.14 0.42 -0.03 0.00 -0.30 0.00 0.00 42.92 43.16 1xwe s ASP 1565CO 0.71 -0.71 -0.06 -0.63 -0.17 0.00 0.00 175.17 174.32 1xwe s ILE 1566N -3.21 3.78 -0.11 4.11 1.01 -1.26 -1.10 121.20 124.41 1xwe s ILE 1566Ca 0.06 -0.43 0.08 0.00 0.00 0.00 0.00 60.65 60.36 1xwe s ILE 1566Cb -0.01 -2.58 -0.11 0.00 0.01 0.00 0.00 42.46 39.77 1xwe s ILE 1566CO -0.07 0.57 0.22 -1.22 0.00 0.00 0.00 174.94 174.43 1xwe n TYR 1567N 2.65 0.00 -3.36 3.97 4.02 -0.57 -4.94 117.16 118.93 1xwe n TYR 1567Ca -0.18 0.00 -0.05 0.00 -0.01 0.00 0.00 57.90 57.66 1xwe n TYR 1567Cb 0.53 -0.12 -0.06 0.00 -0.02 0.00 0.00 39.34 39.66 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 -2.29 0.42 0.47 -0.72 2.20 0.10 -4.40 119.74 115.52 1xwe s LYS 1568Ca -0.01 0.80 -0.21 0.00 -0.36 0.00 0.00 55.97 56.19 1xwe s LYS 1568Cb 0.05 0.01 -0.12 0.00 -1.51 0.00 0.00 37.83 36.26 1xwe s LYS 1568CO 0.32 -0.55 0.42 2.41 -0.36 0.00 0.00 175.35 177.59 1xwe n THR 1569N 5.39 1.57 -4.13 3.43 -1.04 -1.26 -2.13 114.28 116.11 1xwe n THR 1569Ca -0.04 -0.50 -0.35 0.00 -2.04 0.00 0.00 64.05 61.12 1xwe n THR 1569Cb 0.50 -0.46 -0.09 0.00 -1.82 0.00 0.00 70.33 68.45 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 1.90 0.55 3.41 0.00 -1.26 -4.20 107.32 106.71 1xwe s GLY 1570Ca 0.64 -0.76 0.23 0.00 0.00 0.00 0.00 44.72 44.83 1xwe s GLY 1570CO 0.59 -0.18 2.18 0.83 0.00 0.00 0.00 173.10 176.52 1xwe h GLU 1571N 6.07 0.00 -1.68 2.90 4.39 -1.93 -2.03 114.58 122.30 1xwe h GLU 1571Ca -0.42 0.00 -0.31 0.00 0.34 0.00 0.00 59.36 58.97 1xwe h GLU 1571Cb 1.18 0.00 -0.13 0.00 -0.10 0.00 0.00 28.75 29.71 1xwe h GLU 1571CO 0.64 0.00 0.33 0.00 -1.16 0.00 0.00 179.01 178.81 1xwe n ALA 1572N -2.44 5.29 -2.82 3.43 0.00 -1.26 -4.86 120.51 117.85 1xwe n ALA 1572Ca -0.02 -1.72 -0.00 0.00 0.00 0.00 0.00 53.44 51.70 1xwe n ALA 1572Cb 0.13 -1.51 -0.00 0.00 0.00 0.00 0.00 19.45 18.07 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 0.68 -9.90 -4.57 0.00 0.31 -0.78 -4.90 118.33 99.17 1xwe n VAL 1573Ca 0.30 1.58 -0.34 0.00 -0.01 0.00 0.00 64.34 65.87 1xwe n VAL 1573Cb 0.58 -6.08 -0.11 0.00 -0.91 0.00 0.00 33.84 27.32 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 -1.49 2.99 -0.02 3.52 0.00 -1.11 -4.93 121.76 120.74 1xwe s ALA 1574Ca -0.00 -0.87 -0.07 0.00 0.00 0.00 0.00 51.96 51.02 1xwe s ALA 1574Cb 0.00 -1.31 0.01 0.00 0.00 0.00 0.00 23.12 21.82 1xwe s ALA 1574CO 0.62 0.50 0.15 -1.83 0.00 0.00 0.00 175.76 175.19 1xwe s GLU 1575N -0.56 0.39 0.56 0.00 1.03 -1.26 -4.60 118.70 114.26 1xwe s GLU 1575Ca 0.08 -0.19 -0.20 0.00 0.03 0.00 0.00 54.97 54.70 1xwe s GLU 1575Cb -0.12 0.16 -0.06 0.00 -0.80 0.00 0.00 34.13 33.32 1xwe s GLU 1575CO 0.02 -0.08 0.98 1.17 -1.33 0.00 0.00 175.26 176.02 1xwe n LYS 1576N 1.97 1.03 -4.20 -4.83 4.81 -1.26 -2.26 118.16 113.42 1xwe n LYS 1576Ca -0.19 0.39 -0.36 0.00 -0.87 0.00 0.00 58.31 57.28 1xwe n LYS 1576Cb 0.57 -2.15 -0.02 0.00 0.02 0.00 0.00 35.03 33.44 1xwe n LYS 1576CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 1xwe n ASP 1577N -0.49 -3.25 -2.17 3.14 5.68 0.11 -4.94 116.55 114.63 1xwe n ASP 1577Ca 0.12 -1.00 0.00 0.00 -0.50 0.00 0.00 54.79 53.41 1xwe n ASP 1577Cb 0.46 -2.82 0.00 0.00 -1.14 0.00 0.00 41.12 37.62 1xwe n ASP 1577CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 1xwe n SER 1578N -2.68 0.00 -3.82 -1.12 2.88 -0.96 -4.76 113.62 103.17 1xwe n SER 1578Ca 0.06 -0.66 -0.28 0.00 -1.33 0.00 0.00 58.87 56.65 1xwe n SER 1578Cb 0.50 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.80 1xwe n SER 1578CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 1xwe s GLU 1579N -1.70 1.06 0.04 -1.46 2.56 -1.26 -2.94 118.70 115.00 1xwe s GLU 1579Ca 0.00 -0.58 0.08 0.00 0.00 0.00 0.00 54.97 54.48 1xwe s GLU 1579Cb 0.00 -2.18 -0.03 0.00 2.00 0.00 0.00 34.13 33.93 1xwe s GLU 1579CO 0.00 -0.58 -0.23 0.96 -0.56 0.00 0.00 175.26 174.85 1xwe s ILE 1580N 1.69 1.86 -0.13 -3.70 -4.36 -1.21 -5.04 121.20 110.31 1xwe s ILE 1580Ca -0.02 -1.27 0.02 0.00 -0.26 0.00 0.00 60.65 59.12 1xwe s ILE 1580Cb -0.17 -1.61 0.01 0.00 1.25 0.00 0.00 42.46 41.95 1xwe s ILE 1580CO -0.07 0.28 -0.17 -0.89 0.24 0.00 0.00 174.94 174.32 1xwe s THR 1581N -0.79 1.73 0.05 8.37 2.01 -1.26 -2.34 115.64 123.40 1xwe s THR 1581Ca 0.09 -0.77 0.06 0.00 0.31 0.00 0.00 61.69 61.38 1xwe s THR 1581Cb -0.09 -1.56 -0.04 0.00 0.01 0.00 0.00 72.50 70.82 1xwe s THR 1581CO 0.02 0.49 -0.10 -0.36 -0.69 0.00 0.00 174.62 173.97 1xwe s PHE 1582N 1.04 2.77 0.02 4.92 0.40 0.48 -2.12 117.98 125.49 1xwe s PHE 1582Ca -0.04 -0.13 0.00 0.00 -0.60 0.00 0.00 56.93 56.17 1xwe s PHE 1582Cb -0.15 -1.51 -0.02 0.00 0.51 0.00 0.00 43.02 41.85 1xwe s PHE 1582CO -0.04 0.37 -0.03 0.96 0.70 0.00 0.00 175.22 177.18 1xwe s ILE 1583N -1.08 0.15 0.14 0.64 -4.36 -0.75 0.38 121.20 116.31 1xwe s ILE 1583Ca 0.19 -0.97 0.01 0.00 -0.26 0.00 0.00 60.65 59.62 1xwe s ILE 1583Cb -0.11 -0.35 -0.00 0.00 1.25 0.00 0.00 42.46 43.25 1xwe s ILE 1583CO 0.10 -0.52 0.17 2.29 0.24 0.00 0.00 174.94 177.22 1xwe n LYS 1584N 1.52 0.25 -2.23 0.37 2.85 -0.88 -3.39 118.16 116.64 1xwe n LYS 1584Ca -0.23 -1.22 -0.13 0.00 -1.05 0.00 0.00 58.31 55.67 1xwe n LYS 1584Cb 0.55 1.11 0.05 0.00 -0.65 0.00 0.00 35.03 36.09 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 -0.24 0.62 0.05 -1.58 5.02 -1.26 -0.93 118.16 119.84 1xwe n LYS 1585Ca 0.01 -2.02 0.01 0.00 -2.02 0.00 0.00 58.31 54.29 1xwe n LYS 1585Cb 0.24 -0.21 -0.06 0.00 -0.02 0.00 0.00 35.03 34.98 1xwe n LYS 1585CO 0.00 0.00 0.00 -0.24 -0.52 0.00 0.00 177.40 176.64 1xwe h VAL 1586N -0.05 0.54 0.00 -0.18 3.04 -1.76 -3.32 116.25 114.53 1xwe h VAL 1586Ca -0.19 -1.99 -0.03 0.00 -1.01 0.00 0.00 66.70 63.48 1xwe h VAL 1586Cb 0.82 2.08 -0.00 0.00 -2.01 0.00 0.00 31.29 32.18 1xwe h VAL 1586CO 0.25 0.31 -0.15 0.71 -1.01 0.00 0.00 177.57 177.69 1xwe h THR 1587N 0.00 0.39 -1.72 3.17 1.35 -1.92 -3.42 112.91 110.76 1xwe h THR 1587Ca -0.13 -0.87 -0.52 0.00 -0.55 0.00 0.00 66.41 64.34 1xwe h THR 1587Cb 1.52 1.64 0.00 0.00 -1.73 0.00 0.00 68.15 69.59 1xwe h THR 1587CO 0.05 0.14 1.57 0.00 -0.25 0.00 0.00 175.52 177.04 1xwe n THR 1589N 7.87 1.26 0.27 0.00 -1.04 -1.21 -4.35 114.28 117.09 1xwe n THR 1589Ca 0.35 -0.72 0.15 0.00 -2.04 0.00 0.00 64.05 61.78 1xwe n THR 1589Cb 0.49 -0.65 0.44 0.00 -1.82 0.00 0.00 70.33 68.78 1xwe n THR 1589CO 0.00 0.00 0.00 0.78 -0.64 0.00 0.00 175.07 175.21 1xwe h ASN 1590N 0.00 0.00 -3.64 8.00 -0.26 -1.75 -3.41 115.58 114.52 1xwe h ASN 1590Ca -0.50 0.00 -0.70 0.00 -0.56 0.00 0.00 56.30 54.54 1xwe h ASN 1590Cb 2.06 0.00 -0.28 0.00 -1.06 0.00 0.00 38.32 39.04 1xwe h ASN 1590CO 0.01 0.00 -0.58 0.00 -1.06 0.00 0.00 177.43 175.80 1xwe s ALA 1591N -3.43 3.10 -0.21 -0.83 0.00 -1.21 -3.13 121.76 116.06 1xwe s ALA 1591Ca 0.04 -1.79 -0.04 0.00 0.00 0.00 0.00 51.96 50.17 1xwe s ALA 1591Cb 0.07 -2.35 0.08 0.00 0.00 0.00 0.00 23.12 20.93 1xwe s ALA 1591CO 0.59 -1.38 0.16 -2.00 0.00 0.00 0.00 175.76 173.14 1xwe s GLU 1592N 1.42 0.15 0.64 0.00 2.12 -1.26 -4.91 118.70 116.86 1xwe s GLU 1592Ca -0.01 -0.03 -0.08 0.00 0.36 0.00 0.00 54.97 55.21 1xwe s GLU 1592Cb -0.20 -1.42 0.01 0.00 0.26 0.00 0.00 34.13 32.79 1xwe s GLU 1592CO 0.03 -0.73 0.99 -0.51 -0.54 0.00 0.00 175.26 174.50 1xwe s LEU 1593N 2.23 3.08 -0.04 2.70 1.43 -1.26 -5.10 118.68 121.73 1xwe s LEU 1593Ca 0.05 0.89 0.02 0.00 -1.03 0.00 0.00 54.13 54.07 1xwe s LEU 1593Cb -0.16 -3.70 0.01 0.00 0.03 0.00 0.00 46.19 42.37 1xwe s LEU 1593CO -0.15 -1.19 -0.08 -0.69 0.23 0.00 0.00 176.35 174.46 1xwe s VAL 1594N -3.16 0.75 0.30 -1.59 1.01 -1.26 -5.12 120.40 111.33 1xwe s VAL 1594Ca 0.56 -0.30 -0.30 0.00 0.00 0.00 0.00 61.98 61.94 1xwe s VAL 1594Cb -0.11 -0.70 -0.11 0.00 0.00 0.00 0.00 36.38 35.47 1xwe s VAL 1594CO 0.48 0.25 1.50 -0.75 0.00 0.00 0.00 175.10 176.58 1xwe s LYS 1595N 0.47 4.19 -0.74 2.72 2.20 -1.26 -3.72 119.74 123.61 1xwe s LYS 1595Ca -0.08 2.45 -0.01 0.00 -0.36 0.00 0.00 55.97 57.98 1xwe s LYS 1595Cb -0.11 -3.05 -0.01 0.00 -1.51 0.00 0.00 37.83 33.15 1xwe s LYS 1595CO 0.01 -0.50 0.69 0.41 -0.36 0.00 0.00 175.35 175.60 1xwe n GLY 1596N 1.75 -1.17 3.51 5.54 0.00 -0.01 -5.01 105.19 109.80 1xwe n GLY 1596Ca 0.06 0.45 -0.14 0.00 0.00 0.00 0.00 46.02 46.38 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 -3.17 0.97 -0.05 1.61 3.52 -1.24 -4.96 118.95 115.62 1xwe s ARG 1597Ca 0.06 0.06 -0.18 0.00 -0.13 0.00 0.00 55.73 55.55 1xwe s ARG 1597Cb -0.01 0.46 -0.05 0.00 -1.56 0.00 0.00 34.95 33.79 1xwe s ARG 1597CO 0.71 -0.34 0.48 -0.65 -0.81 0.00 0.00 175.30 174.69 1xwe s GLN 1598N -1.77 4.21 0.01 5.12 -0.21 -1.26 -1.58 119.66 124.19 1xwe s GLN 1598Ca -0.06 0.51 0.01 0.00 0.02 0.00 0.00 55.36 55.84 1xwe s GLN 1598Cb -0.00 -3.34 -0.01 0.00 1.00 0.00 0.00 33.01 30.65 1xwe s GLN 1598CO 0.03 0.39 -0.03 0.71 -2.12 0.00 0.00 175.29 174.26 1xwe s TYR 1599N -0.14 0.29 -0.29 0.91 2.02 -0.91 -1.90 117.35 117.33 1xwe s TYR 1599Ca 0.26 -0.27 -0.15 0.00 -0.37 0.00 0.00 57.07 56.54 1xwe s TYR 1599Cb -0.16 -0.19 -0.03 0.00 -0.40 0.00 0.00 41.96 41.17 1xwe s TYR 1599CO 0.13 -0.08 0.38 -1.17 -1.57 0.00 0.00 175.55 173.24 1xwe s LEU 1600N -0.76 4.12 -0.19 -1.29 2.96 -0.53 -1.66 118.68 121.32 1xwe s LEU 1600Ca -0.06 0.18 -0.03 0.00 -0.22 0.00 0.00 54.13 54.00 1xwe s LEU 1600Cb -0.05 -2.42 -0.01 0.00 0.50 0.00 0.00 46.19 44.21 1xwe s LEU 1600CO -0.00 -0.22 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.12 1xwe s ILE 1601N 2.08 3.39 -0.21 6.68 1.01 -0.81 -1.84 121.20 131.51 1xwe s ILE 1601Ca 0.15 -0.50 -0.04 0.00 0.00 0.00 0.00 60.65 60.26 1xwe s ILE 1601Cb -0.16 -2.52 0.07 0.00 0.01 0.00 0.00 42.46 39.87 1xwe s ILE 1601CO 0.10 0.45 0.07 -0.04 0.00 0.00 0.00 174.94 175.53 1xwe s MET 1602N 1.12 0.38 0.14 2.79 -1.94 -0.73 -1.93 119.30 119.12 1xwe s MET 1602Ca 0.01 -0.38 -0.24 0.00 -1.71 0.00 0.00 55.69 53.38 1xwe s MET 1602Cb -0.15 -1.86 0.08 0.00 2.01 0.00 0.00 34.83 34.92 1xwe s MET 1602CO -0.01 -0.74 1.09 0.20 -0.01 0.00 0.00 175.02 175.56 1xwe s GLY 1603N 1.97 0.04 1.10 -0.03 0.00 -0.82 -1.41 107.32 108.17 1xwe s GLY 1603Ca 0.03 -0.21 -0.13 0.00 0.00 0.00 0.00 44.72 44.41 1xwe s GLY 1603CO -0.14 2.92 0.94 0.58 0.00 0.00 0.00 173.10 177.40 1xwe n LYS 1604N -0.73 -1.79 0.00 2.90 -0.00 -0.01 -0.54 118.16 118.00 1xwe n LYS 1604Ca -0.02 -0.48 0.00 0.00 -0.00 0.00 0.00 58.31 57.81 1xwe n LYS 1604Cb 0.59 -2.17 0.00 0.00 -0.00 0.00 0.00 35.03 33.45 1xwe n LYS 1604CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 1xwe n GLU 1605N -4.41 -1.00 -0.40 -1.58 0.28 -1.26 -4.57 120.64 107.70 1xwe n GLU 1605Ca 0.05 0.00 -0.04 0.00 -0.16 0.00 0.00 57.16 57.02 1xwe n GLU 1605Cb 0.54 0.00 0.02 0.00 1.43 0.00 0.00 31.44 33.44 1xwe n GLU 1605CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1xwe n ALA 1606N -3.00 -0.15 -1.62 -1.84 0.00 -1.26 -5.01 120.51 107.62 1xwe n ALA 1606Ca 0.00 -0.24 0.04 0.00 0.00 0.00 0.00 53.44 53.24 1xwe n ALA 1606Cb 0.00 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.51 1xwe n ALA 1606CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1xwe n LEU 1607N 0.00 1.00 -3.27 0.00 7.94 -1.26 -5.02 117.00 116.38 1xwe n LEU 1607Ca 0.02 -1.89 -0.11 0.00 -1.11 0.00 0.00 56.01 52.93 1xwe n LEU 1607Cb 0.08 -0.18 0.01 0.00 0.53 0.00 0.00 43.42 43.86 1xwe n LEU 1607CO 0.06 0.45 -0.44 1.67 -1.11 0.00 0.00 177.39 178.02 1xwe n GLN 1608N -0.59 -0.71 -0.04 1.96 7.27 -1.26 -4.86 117.38 119.15 1xwe n GLN 1608Ca 0.07 0.95 -0.10 0.00 0.07 0.00 0.00 57.00 57.98 1xwe n GLN 1608Cb 0.68 -1.27 -0.04 0.00 2.41 0.00 0.00 30.24 32.02 1xwe n GLN 1608CO 0.00 0.00 0.00 0.97 0.07 0.00 0.00 177.06 178.10 1xwe h ILE 1609N 3.19 1.04 -0.52 1.69 6.09 -1.91 -3.47 117.51 123.61 1xwe h ILE 1609Ca -0.15 -0.08 0.00 0.00 -1.37 0.00 0.00 64.86 63.25 1xwe h ILE 1609Cb 1.11 0.78 0.00 0.00 0.47 0.00 0.00 36.82 39.17 1xwe h ILE 1609CO 0.06 0.04 0.00 1.17 -3.07 0.00 0.00 178.15 176.36 1xwe n LYS 1610N -4.97 0.00 -1.18 2.19 4.81 -1.26 -4.94 118.16 112.82 1xwe n LYS 1610Ca -0.03 0.00 0.15 0.00 -0.87 0.00 0.00 58.31 57.55 1xwe n LYS 1610Cb 0.03 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 35.02 1xwe n LYS 1610CO 0.00 0.00 0.00 0.98 1.17 0.00 0.00 177.40 179.55 1xwe n TYR 1611N -0.10 -3.10 0.00 5.64 9.36 -1.26 -4.68 117.16 123.02 1xwe n TYR 1611Ca 0.00 1.65 0.00 0.00 3.32 0.00 0.00 57.90 62.87 1xwe n TYR 1611Cb 0.00 -2.82 0.00 0.00 -0.63 0.00 0.00 39.34 35.89 1xwe n TYR 1611CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 1xwe n ASN 1612N -3.96 0.00 0.01 2.98 5.15 -1.26 -3.22 115.26 114.96 1xwe n ASN 1612Ca -0.05 0.00 -0.01 0.00 -0.60 0.00 0.00 54.58 53.92 1xwe n ASN 1612Cb 0.55 0.00 -0.00 0.00 -0.53 0.00 0.00 39.78 39.80 1xwe n ASN 1612CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1xwe n ALA 1613N 1.49 2.52 -3.67 5.20 0.00 -1.26 -5.14 120.51 119.64 1xwe n ALA 1613Ca 0.00 -0.11 -0.06 0.00 0.00 0.00 0.00 53.44 53.27 1xwe n ALA 1613Cb 0.00 0.12 -0.02 0.00 0.00 0.00 0.00 19.45 19.55 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 -5.47 -0.28 0.41 0.00 0.15 -1.20 -5.11 113.70 102.20 1xwe s SER 1614Ca -0.03 -0.30 -0.27 0.00 0.70 0.00 0.00 55.95 56.06 1xwe s SER 1614Cb 0.00 0.52 -0.10 0.00 -1.71 0.00 0.00 66.02 64.73 1xwe s SER 1614CO 0.05 -0.92 1.44 2.22 1.20 0.00 0.00 173.24 177.23 1xwe n PHE 1615N -0.40 2.78 -0.03 3.44 -1.74 -1.26 -4.20 117.46 116.04 1xwe n PHE 1615Ca -0.08 0.45 0.00 0.00 -0.56 0.00 0.00 57.45 57.27 1xwe n PHE 1615Cb 0.61 -2.48 0.00 0.00 1.52 0.00 0.00 39.48 39.13 1xwe n PHE 1615CO 0.00 0.00 0.00 0.54 -0.56 0.00 0.00 176.76 176.74 1xwe n ARG 1616N 0.13 4.54 -1.75 3.97 1.74 -1.26 -4.81 116.66 119.22 1xwe n ARG 1616Ca 0.04 -0.04 -0.18 0.00 -0.77 0.00 0.00 57.85 56.89 1xwe n ARG 1616Cb 0.40 -0.44 -0.06 0.00 -1.02 0.00 0.00 32.46 31.34 1xwe n ARG 1616CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1xwe n TYR 1617N -0.66 -0.38 -1.73 -1.55 4.02 -1.26 -4.76 117.16 110.83 1xwe n TYR 1617Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.47 1xwe n TYR 1617Cb 0.01 -3.28 -0.01 0.00 -0.02 0.00 0.00 39.34 36.04 1xwe n TYR 1617CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 176.86 176.29 1xwe n ILE 1618N -2.61 1.83 -3.67 -0.72 -5.35 -1.26 -4.60 119.36 102.98 1xwe n ILE 1618Ca -0.19 -0.46 -0.37 0.00 -0.27 0.00 0.00 62.75 61.46 1xwe n ILE 1618Cb 0.62 -1.77 -0.06 0.00 -1.74 0.00 0.00 39.64 36.68 1xwe n ILE 1618CO 0.00 0.00 0.00 -0.31 -1.76 0.00 0.00 176.55 174.48 1xwe s TYR 1619N -0.92 3.58 -0.42 4.28 1.51 -0.90 -4.29 117.35 120.19 1xwe s TYR 1619Ca 0.56 0.65 0.22 0.00 -1.01 0.00 0.00 57.07 57.49 1xwe s TYR 1619Cb -0.53 -2.16 1.01 0.00 -0.11 0.00 0.00 41.96 40.17 1xwe s TYR 1619CO 0.61 0.53 1.68 -0.35 -1.11 0.00 0.00 175.55 176.91 1xwe n PRO 1620N 2.54 0.17 -2.94 -1.71 -0.04 -1.26 -1.82 135.00 129.95 1xwe n PRO 1620Ca -0.16 0.48 -0.01 0.00 -0.04 0.00 0.00 63.50 63.77 1xwe n PRO 1620Cb 0.53 -1.88 0.00 0.00 -0.04 0.00 0.00 33.50 32.11 1xwe n PRO 1620CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1xwe n LEU 1621N -2.22 -6.03 0.00 1.53 7.94 -1.22 -4.36 117.00 112.64 1xwe n LEU 1621Ca 0.01 0.94 -0.09 0.00 -1.11 0.00 0.00 56.01 55.76 1xwe n LEU 1621Cb 0.17 -2.57 -0.01 0.00 0.53 0.00 0.00 43.42 41.53 1xwe n LEU 1621CO 0.16 -2.37 -0.05 0.47 -1.11 0.00 0.00 177.39 174.50 1xwe n ASP 1622N 0.90 2.19 0.17 1.96 9.92 -1.26 -4.29 116.55 126.14 1xwe n ASP 1622Ca 0.00 -1.62 0.13 0.00 -0.53 0.00 0.00 54.79 52.77 1xwe n ASP 1622Cb 0.24 0.08 0.58 0.00 -0.64 0.00 0.00 41.12 41.38 1xwe n ASP 1622CO 0.00 0.00 0.00 0.77 0.13 0.00 0.00 177.20 178.10 1xwe h SER 1623N 0.31 0.00 0.41 -2.24 4.64 -1.87 -1.26 113.55 113.54 1xwe h SER 1623Ca -0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.20 1xwe h SER 1623Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1xwe h SER 1623CO 0.19 0.00 -0.00 0.00 -0.87 0.00 0.00 176.83 176.15 1xwe n LEU 1624N -2.36 0.01 -4.50 5.97 -0.00 -1.26 -4.67 117.00 110.18 1xwe n LEU 1624Ca 0.00 0.20 -0.43 0.00 -0.00 0.00 0.00 56.01 55.78 1xwe n LEU 1624Cb 0.16 -0.20 -0.05 0.00 -0.00 0.00 0.00 43.42 43.33 1xwe n LEU 1624CO 0.17 0.00 0.63 -0.89 -0.00 0.00 0.00 177.39 177.30 1xwe s THR 1625N -2.41 4.53 -0.52 1.47 2.01 -0.48 -4.67 115.64 115.58 1xwe s THR 1625Ca 0.34 0.05 -0.27 0.00 0.31 0.00 0.00 61.69 62.12 1xwe s THR 1625Cb 0.21 -4.47 -0.02 0.00 0.01 0.00 0.00 72.50 68.23 1xwe s THR 1625CO 0.44 -1.02 1.88 0.86 -0.69 0.00 0.00 174.62 176.08 1xwe s TRP 1626N 3.55 1.67 -0.21 4.92 -0.11 -0.50 -4.83 118.94 123.44 1xwe s TRP 1626Ca 0.26 0.80 -0.04 0.00 1.22 0.00 0.00 56.10 58.34 1xwe s TRP 1626Cb -0.14 -4.06 -0.02 0.00 -1.50 0.00 0.00 33.47 27.74 1xwe s TRP 1626CO 0.17 -2.50 -0.02 0.42 -4.62 0.00 0.00 176.95 170.40 1xwe s ILE 1627N 8.62 3.63 0.09 5.86 1.01 -1.25 -1.78 121.20 137.38 1xwe s ILE 1627Ca 0.73 -0.41 0.09 0.00 0.00 0.00 0.00 60.65 61.06 1xwe s ILE 1627Cb -0.16 -2.65 -0.03 0.00 0.01 0.00 0.00 42.46 39.63 1xwe s ILE 1627CO 0.25 0.42 -0.24 -0.70 0.00 0.00 0.00 174.94 174.68 1xwe s GLU 1628N 1.25 1.38 -0.15 2.79 2.12 -0.77 -3.24 118.70 122.09 1xwe s GLU 1628Ca 0.03 -1.16 -0.25 0.00 0.36 0.00 0.00 54.97 53.95 1xwe s GLU 1628Cb -0.14 -1.66 -0.02 0.00 0.26 0.00 0.00 34.13 32.56 1xwe s GLU 1628CO -0.00 0.41 0.83 -0.47 -0.54 0.00 0.00 175.26 175.48 1xwe s TYR 1629N -0.99 3.45 -0.59 5.30 6.14 -1.26 -1.45 117.35 127.95 1xwe s TYR 1629Ca 0.10 1.28 -0.10 0.00 0.64 0.00 0.00 57.07 58.99 1xwe s TYR 1629Cb -0.10 -3.00 0.15 0.00 0.42 0.00 0.00 41.96 39.44 1xwe s TYR 1629CO 0.04 -0.19 0.48 -0.46 0.64 0.00 0.00 175.55 176.06 1xwe s TRP 1630N 1.94 3.48 -0.20 4.97 -0.11 -0.80 -4.81 118.94 123.40 1xwe s TRP 1630Ca 0.39 -1.98 -0.32 0.00 1.22 0.00 0.00 56.10 55.40 1xwe s TRP 1630Cb -0.17 -3.56 -0.09 0.00 -1.50 0.00 0.00 33.47 28.15 1xwe s TRP 1630CO 0.14 -0.97 2.09 -2.30 -4.62 0.00 0.00 176.95 171.29 1xwe n PRO 1631N 4.47 1.81 0.12 5.86 -0.02 -1.26 -4.28 135.00 141.70 1xwe n PRO 1631Ca -0.01 0.57 -0.03 0.00 -2.02 0.00 0.00 63.50 62.02 1xwe n PRO 1631Cb 0.42 -2.80 0.13 0.00 -0.02 0.00 0.00 33.50 31.23 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 12.15 0.04 -6.53 -0.52 9.65 -1.96 -3.44 114.38 123.77 1xwe h ARG 1632Ca -0.40 -0.03 -0.53 0.00 -1.10 0.00 0.00 59.98 57.92 1xwe h ARG 1632Cb 1.27 0.01 0.02 0.00 -1.39 0.00 0.00 29.97 29.88 1xwe h ARG 1632CO 0.97 0.68 0.69 0.16 2.80 0.00 0.00 179.97 185.28 1xwe s ASP 1633N -6.85 6.88 0.00 -3.80 -4.77 -1.26 -4.86 116.67 102.01 1xwe s ASP 1633Ca -0.02 2.26 0.00 0.00 -3.30 0.00 0.00 52.55 51.50 1xwe s ASP 1633Cb 0.12 -2.58 0.00 0.00 -1.09 0.00 0.00 42.92 39.37 1xwe s ASP 1633CO 0.78 -0.62 0.01 0.35 0.70 0.00 0.00 175.17 176.39 1xwe n THR 1634N 3.95 0.00 0.23 2.11 -2.24 -1.26 -4.50 114.28 112.56 1xwe n THR 1634Ca 0.11 -0.02 0.07 0.00 -2.27 0.00 0.00 64.05 61.94 1xwe n THR 1634Cb 0.43 1.47 0.55 0.00 -2.10 0.00 0.00 70.33 70.68 1xwe n THR 1634CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xwe h THR 1635N 0.47 1.03 -2.98 4.28 1.03 -2.00 -3.42 112.91 111.32 1xwe h THR 1635Ca 0.00 -0.58 -0.64 0.00 -0.01 0.00 0.00 66.41 65.18 1xwe h THR 1635Cb 0.24 1.32 -0.10 0.00 -1.07 0.00 0.00 68.15 68.53 1xwe h THR 1635CO 0.00 0.16 -0.50 0.00 -0.01 0.00 0.00 175.52 175.17 1xwe n SER 1637N 2.74 0.03 -0.17 0.00 7.64 -1.26 -1.56 113.62 121.05 1xwe n SER 1637Ca -0.18 -0.61 0.14 0.00 1.01 0.00 0.00 58.87 59.23 1xwe n SER 1637Cb 0.53 -0.13 0.55 0.00 -1.01 0.00 0.00 64.21 64.16 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 -1.11 0.66 0.00 6.43 7.64 -1.26 -4.09 113.62 121.89 1xwe n SER 1638Ca 0.19 -0.72 0.00 0.00 1.01 0.00 0.00 58.87 59.36 1xwe n SER 1638Cb 0.18 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.36 1xwe n SER 1638CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xwe h GLN 1640N 0.00 0.00 -0.38 0.00 4.15 -1.44 -2.54 115.11 114.90 1xwe h GLN 1640Ca 0.00 0.00 0.11 0.00 0.77 0.00 0.00 58.65 59.53 1xwe h GLN 1640Cb 0.04 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.71 1xwe h GLN 1640CO 0.00 0.01 0.28 0.00 -1.93 0.00 0.00 178.83 177.19 1xwe h ALA 1641N 1.99 2.33 -0.00 3.38 0.00 -1.84 0.89 119.26 126.02 1xwe h ALA 1641Ca -0.00 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.72 1xwe h ALA 1641Cb 0.26 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1xwe h ALA 1641CO 0.00 -0.47 -0.81 0.35 0.00 0.00 0.00 179.25 178.32 1xwe h PHE 1642N 0.00 0.11 0.00 0.00 3.57 -1.82 -2.98 116.94 115.82 1xwe h PHE 1642Ca 0.18 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.62 1xwe h PHE 1642Cb 0.73 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.46 1xwe h PHE 1642CO 0.00 0.85 0.00 1.28 -2.23 0.00 0.00 178.31 178.21 1xwe n LEU 1643N -3.63 0.00 0.08 0.59 7.99 0.27 -3.35 117.00 118.95 1xwe n LEU 1643Ca -0.02 0.32 -0.23 0.00 -0.01 0.00 0.00 56.01 56.07 1xwe n LEU 1643Cb 0.77 -0.32 -0.15 0.00 -0.11 0.00 0.00 43.42 43.61 1xwe n LEU 1643CO 0.45 -0.02 -0.40 0.00 -1.51 0.00 0.00 177.39 175.91 1xwe h ALA 1644N 3.26 0.05 0.00 -1.18 0.00 -1.28 -3.23 119.26 116.89 1xwe h ALA 1644Ca 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 54.91 53.88 1xwe h ALA 1644Cb 0.29 0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1xwe h ALA 1644CO 0.00 0.86 0.00 0.27 0.00 0.00 0.00 179.25 180.38 1xwe n ASN 1645N -3.71 0.00 -0.06 0.00 6.94 -1.21 -3.02 115.26 114.20 1xwe n ASN 1645Ca -0.22 -0.68 -0.15 0.00 -0.02 0.00 0.00 54.58 53.51 1xwe n ASN 1645Cb 1.04 -0.06 -0.14 0.00 -2.36 0.00 0.00 39.78 38.26 1xwe n ASN 1645CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1xwe n LEU 1646N -1.06 1.68 -0.02 -4.53 4.77 -1.24 -4.02 117.00 112.58 1xwe n LEU 1646Ca 0.19 0.12 -0.00 0.00 -0.03 0.00 0.00 56.01 56.28 1xwe n LEU 1646Cb 0.12 -0.38 0.29 0.00 -2.33 0.00 0.00 43.42 41.12 1xwe n LEU 1646CO 0.16 0.68 0.96 -0.78 -1.33 0.00 0.00 177.39 177.09 1xwe h ASP 1647N 0.02 0.53 -0.57 -1.43 3.58 -1.55 -2.53 116.42 114.47 1xwe h ASP 1647Ca -0.46 -0.09 -0.11 0.00 0.42 0.00 0.00 57.03 56.79 1xwe h ASP 1647Cb 2.05 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 42.94 1xwe h ASP 1647CO 0.03 0.58 -0.06 -0.08 -2.88 0.00 0.00 179.24 176.82 1xwe h GLU 1648N 0.55 1.05 0.00 0.28 4.81 -1.74 -2.66 114.58 116.88 1xwe h GLU 1648Ca 0.12 -0.36 -0.03 0.00 -0.13 0.00 0.00 59.36 58.96 1xwe h GLU 1648Cb 0.29 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.59 1xwe h GLU 1648CO 0.00 1.06 -0.14 0.35 -0.73 0.00 0.00 179.01 179.56 1xwe h PHE 1649N 0.95 0.00 0.58 0.92 3.57 -1.60 -0.76 116.94 120.60 1xwe h PHE 1649Ca 0.16 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.64 1xwe h PHE 1649Cb 0.62 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.35 1xwe h PHE 1649CO 0.04 0.14 -0.47 0.00 -2.23 0.00 0.00 178.31 175.79 1xwe h ALA 1650N 1.86 -1.18 0.00 2.41 0.00 -1.21 -2.77 119.26 118.37 1xwe h ALA 1650Ca -0.00 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.64 1xwe h ALA 1650Cb 0.27 0.66 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1xwe h ALA 1650CO 0.02 -1.18 -0.32 1.05 0.00 0.00 0.00 179.25 178.82 1xwe h GLU 1651N -1.02 0.00 0.00 0.00 4.11 -1.61 -0.69 114.58 115.37 1xwe h GLU 1651Ca -0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.35 1xwe h GLU 1651Cb 0.86 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.11 1xwe h GLU 1651CO 0.00 0.32 0.00 -3.47 0.07 0.00 0.00 179.01 175.93 1xwe n ASP 1652N -3.33 0.00 0.00 3.06 2.03 -0.30 -1.66 116.55 116.34 1xwe n ASP 1652Ca 0.01 0.26 0.00 0.00 0.52 0.00 0.00 54.79 55.57 1xwe n ASP 1652Cb 0.54 -0.34 0.00 0.00 -0.72 0.00 0.00 41.12 40.61 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 -1.34 0.00 0.07 5.18 3.06 -1.08 -4.30 119.36 120.95 1xwe n ILE 1653Ca 0.03 0.00 -0.11 0.00 -2.50 0.00 0.00 62.75 60.18 1xwe n ILE 1653Cb 0.07 -0.12 -0.01 0.00 0.54 0.00 0.00 39.64 40.12 1xwe n ILE 1653CO 0.00 0.00 0.00 0.15 -2.50 0.00 0.00 176.55 174.20 1xwe h PHE 1654N 0.00 0.49 0.03 9.51 3.04 -0.99 -1.47 116.94 127.55 1xwe h PHE 1654Ca 0.00 -0.25 -0.06 0.00 3.98 0.00 0.00 57.97 61.64 1xwe h PHE 1654Cb 0.19 -0.06 0.00 0.00 2.56 0.00 0.00 35.95 38.64 1xwe h PHE 1654CO 0.00 1.04 -0.29 1.25 -2.02 0.00 0.00 178.31 178.29 1xwe h LEU 1655N 0.21 0.10 0.00 0.59 6.46 -1.56 -3.44 115.31 117.67 1xwe h LEU 1655Ca -0.05 -0.95 0.00 0.00 -0.12 0.00 0.00 57.88 56.76 1xwe h LEU 1655Cb 1.45 -0.03 0.00 0.00 -0.73 0.00 0.00 40.66 41.35 1xwe h LEU 1655CO 0.14 1.13 -0.19 -0.46 -0.62 0.00 0.00 178.44 178.44 1xwe n ASN 1656N -4.49 0.38 -1.93 1.25 0.23 -1.25 -5.11 115.26 104.34 1xwe n ASN 1656Ca -0.13 0.07 -0.02 0.00 -0.53 0.00 0.00 54.58 53.97 1xwe n ASN 1656Cb 0.57 -0.55 -0.02 0.00 -2.08 0.00 0.00 39.78 37.70 1xwe n ASN 1656CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1xwe n GLY 1657N 1.49 -3.98 0.00 4.83 0.00 -0.55 -5.00 105.19 101.98 1xwe n GLY 1657Ca -0.03 0.49 0.03 0.00 0.00 0.00 0.00 46.02 46.51 1xwe n GLY 1657CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32