#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 0.00 -4.53 1.61 7.64 -1.26 -5.06 113.62 112.03 1xwe n SER 1509Ca 0.00 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.46 1xwe n SER 1509Cb 0.00 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.11 1xwe n SER 1509CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 1xwe s HIS 1510N -1.00 3.19 -0.01 1.43 5.65 -1.26 -5.07 115.29 118.23 1xwe s HIS 1510Ca 0.00 -0.11 -0.04 0.00 0.25 0.00 0.00 55.06 55.16 1xwe s HIS 1510Cb 0.00 -2.78 -0.04 0.00 -1.18 0.00 0.00 32.58 28.58 1xwe s HIS 1510CO 0.00 -0.53 0.21 1.41 -0.65 0.00 0.00 174.74 175.18 1xwe s MET 1511N 2.11 3.48 -0.21 2.88 -2.45 -1.26 -5.09 119.30 118.76 1xwe s MET 1511Ca 0.13 -0.23 -0.06 0.00 -1.25 0.00 0.00 55.69 54.28 1xwe s MET 1511Cb -0.17 -3.10 -0.03 0.00 1.25 0.00 0.00 34.83 32.79 1xwe s MET 1511CO 0.12 0.67 0.03 0.00 1.05 0.00 0.00 175.02 176.89 1xwe s ALA 1512N -1.30 3.12 -1.05 4.11 0.00 -1.26 -4.97 121.76 120.41 1xwe s ALA 1512Ca 0.27 -0.98 0.29 0.00 0.00 0.00 0.00 51.96 51.54 1xwe s ALA 1512Cb -0.13 -1.86 1.23 0.00 0.00 0.00 0.00 23.12 22.36 1xwe s ALA 1512CO 0.17 -0.16 1.91 -0.25 0.00 0.00 0.00 175.76 177.43 1xwe n ASP 1513N 4.26 0.03 0.00 0.00 9.92 -1.26 -3.87 116.55 125.63 1xwe n ASP 1513Ca -0.17 0.39 0.00 0.00 -0.53 0.00 0.00 54.79 54.48 1xwe n ASP 1513Cb 0.52 -0.43 0.00 0.00 -0.64 0.00 0.00 41.12 40.57 1xwe n ASP 1513CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1xwe s GLY 1515N -2.63 -1.08 0.00 0.00 0.00 -0.13 -3.80 107.32 99.69 1xwe s GLY 1515Ca 0.00 -1.54 -0.38 0.00 0.00 0.00 0.00 44.72 42.81 1xwe s GLY 1515CO 0.00 4.26 1.43 0.61 0.00 0.00 0.00 173.10 179.40 1xwe n GLN 1516N 8.16 1.14 -3.61 2.90 0.00 -1.24 -4.55 117.38 120.18 1xwe n GLN 1516Ca 0.41 0.41 -0.27 0.00 0.00 0.00 0.00 57.00 57.55 1xwe n GLN 1516Cb 0.47 -2.06 -0.03 0.00 0.00 0.00 0.00 30.24 28.61 1xwe n GLN 1516CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1xwe s MET 1517N 1.17 3.54 0.60 2.61 0.23 -1.26 -4.39 119.30 121.81 1xwe s MET 1517Ca 0.88 -0.27 0.07 0.00 -1.03 0.00 0.00 55.69 55.34 1xwe s MET 1517Cb -0.98 -2.79 0.09 0.00 -1.53 0.00 0.00 34.83 29.62 1xwe s MET 1517CO 0.51 0.35 0.83 -0.65 -2.03 0.00 0.00 175.02 174.03 1xwe s GLN 1518N -3.42 2.17 0.90 3.16 -0.21 -1.22 -5.06 119.66 115.98 1xwe s GLN 1518Ca 0.40 -1.49 -0.15 0.00 0.02 0.00 0.00 55.36 54.13 1xwe s GLN 1518Cb -0.11 -2.57 0.23 0.00 1.00 0.00 0.00 33.01 31.56 1xwe s GLN 1518CO 0.29 -0.98 0.66 0.39 -2.12 0.00 0.00 175.29 173.54 1xwe n GLU 1519N -2.37 -3.17 -0.31 2.91 1.02 -1.26 -4.82 120.64 112.64 1xwe n GLU 1519Ca 0.15 -1.08 -0.12 0.00 -0.02 0.00 0.00 57.16 56.09 1xwe n GLU 1519Cb 0.61 -1.18 0.10 0.00 -0.02 0.00 0.00 31.44 30.95 1xwe n GLU 1519CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1xwe n GLU 1520N -4.14 -2.24 -1.71 3.49 1.02 -1.26 -4.49 120.64 111.31 1xwe n GLU 1520Ca 0.10 -0.65 -0.43 0.00 -0.02 0.00 0.00 57.16 56.15 1xwe n GLU 1520Cb 0.40 -0.67 -0.03 0.00 -0.02 0.00 0.00 31.44 31.12 1xwe n GLU 1520CO 0.00 0.00 0.00 1.47 1.18 0.00 0.00 177.13 179.78 1xwe n LEU 1521N 0.00 3.81 -3.70 -4.62 -0.00 -1.26 -4.89 117.00 106.35 1xwe n LEU 1521Ca 0.06 1.11 -0.11 0.00 -0.00 0.00 0.00 56.01 57.06 1xwe n LEU 1521Cb 0.23 -1.53 -0.10 0.00 -0.00 0.00 0.00 43.42 42.02 1xwe n LEU 1521CO 0.16 -0.02 0.11 -0.62 -0.00 0.00 0.00 177.39 177.02 1xwe s ASP 1522N 0.76 -0.55 -0.03 1.45 2.15 -1.26 -4.95 116.67 114.24 1xwe s ASP 1522Ca 0.71 0.96 0.01 0.00 0.43 0.00 0.00 52.55 54.66 1xwe s ASP 1522Cb -0.56 0.88 0.08 0.00 -0.30 0.00 0.00 42.92 43.03 1xwe s ASP 1522CO 0.41 -0.19 0.77 0.18 -0.17 0.00 0.00 175.17 176.18 1xwe n LEU 1523N 3.82 2.07 0.04 -1.34 4.32 -1.26 -3.50 117.00 121.15 1xwe n LEU 1523Ca -0.20 -1.05 0.10 0.00 -0.02 0.00 0.00 56.01 54.84 1xwe n LEU 1523Cb 0.56 -0.53 -0.09 0.00 -1.62 0.00 0.00 43.42 41.74 1xwe n LEU 1523CO 0.08 0.37 -0.41 0.35 -1.22 0.00 0.00 177.39 176.56 1xwe n THR 1524N 0.14 0.37 -2.76 -5.08 -2.24 -1.26 -4.91 114.28 98.54 1xwe n THR 1524Ca 0.04 -0.54 -0.41 0.00 -2.27 0.00 0.00 64.05 60.87 1xwe n THR 1524Cb 0.43 -0.20 -0.05 0.00 -2.10 0.00 0.00 70.33 68.42 1xwe n THR 1524CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1xwe s ILE 1525N -3.39 4.37 0.76 2.28 1.01 -1.23 -5.06 121.20 119.94 1xwe s ILE 1525Ca -0.05 2.03 -0.06 0.00 0.00 0.00 0.00 60.65 62.58 1xwe s ILE 1525Cb 0.12 -4.30 0.12 0.00 0.01 0.00 0.00 42.46 38.40 1xwe s ILE 1525CO 0.85 0.39 1.07 -0.55 0.00 0.00 0.00 174.94 176.70 1xwe s SER 1526N -0.45 4.24 0.24 3.58 0.15 -1.26 -5.00 113.70 115.19 1xwe s SER 1526Ca 0.44 0.05 0.13 0.00 0.70 0.00 0.00 55.95 57.27 1xwe s SER 1526Cb -0.24 -0.45 -0.00 0.00 -1.71 0.00 0.00 66.02 63.62 1xwe s SER 1526CO 0.30 -1.95 1.39 0.00 1.20 0.00 0.00 173.24 174.18 1xwe h ALA 1527N -0.78 0.60 0.00 5.45 0.00 -1.97 -3.19 119.26 119.36 1xwe h ALA 1527Ca -0.41 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 53.93 1xwe h ALA 1527Cb 1.27 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1xwe h ALA 1527CO 0.46 0.77 0.00 0.93 0.00 0.00 0.00 179.25 181.41 1xwe h GLU 1528N 0.00 0.00 0.00 0.00 5.08 -1.96 -1.81 114.58 115.89 1xwe h GLU 1528Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1xwe h GLU 1528Cb 1.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.73 1xwe h GLU 1528CO 0.08 0.00 0.00 1.15 -1.00 0.00 0.00 179.01 179.24 1xwe h THR 1529N 0.00 0.00 0.00 1.13 2.02 -1.95 -1.38 112.91 112.73 1xwe h THR 1529Ca 0.00 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 67.06 1xwe h THR 1529Cb 0.72 0.96 0.00 0.00 -1.74 0.00 0.00 68.15 68.09 1xwe h THR 1529CO 0.00 0.00 -0.88 0.54 0.37 0.00 0.00 175.52 175.55 1xwe n ARG 1530N -2.79 2.04 0.04 6.66 1.74 -1.15 -4.73 116.66 118.47 1xwe n ARG 1530Ca -0.01 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.93 1xwe n ARG 1530Cb 0.12 -0.94 -0.03 0.00 -1.02 0.00 0.00 32.46 30.60 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 0.00 0.51 0.00 5.56 1.63 -1.19 0.28 116.57 123.36 1xwe h LYS 1531Ca 0.00 -0.47 0.00 0.00 -0.85 0.00 0.00 60.65 59.33 1xwe h LYS 1531Cb 0.41 0.11 0.00 0.00 -0.60 0.00 0.00 32.23 32.15 1xwe h LYS 1531CO 0.00 1.10 0.00 1.04 -3.45 0.00 0.00 179.45 178.14 1xwe n GLN 1532N -3.83 0.72 0.00 1.90 1.13 -0.53 -2.92 117.38 113.84 1xwe n GLN 1532Ca -0.06 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.00 1xwe n GLN 1532Cb 0.77 -1.13 0.00 0.00 0.11 0.00 0.00 30.24 29.99 1xwe n GLN 1532CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 1xwe n THR 1533N -0.63 0.00 0.73 5.09 -1.04 -1.12 -4.68 114.28 112.62 1xwe n THR 1533Ca 0.05 0.00 0.13 0.00 -2.04 0.00 0.00 64.05 62.18 1xwe n THR 1533Cb 0.02 0.06 0.49 0.00 -1.82 0.00 0.00 70.33 69.08 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 -0.39 2.15 -0.09 2.41 0.00 0.96 -3.29 120.51 122.26 1xwe n ALA 1534Ca 0.00 -0.04 -0.08 0.00 0.00 0.00 0.00 53.44 53.31 1xwe n ALA 1534Cb 0.02 -1.43 -0.16 0.00 0.00 0.00 0.00 19.45 17.88 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 -2.55 3.30 0.13 0.00 1.02 -1.21 -4.87 119.74 115.56 1xwe s LYS 1536Ca -0.10 2.09 0.09 0.00 0.02 0.00 0.00 55.97 58.07 1xwe s LYS 1536Cb 0.06 -2.28 0.49 0.00 -0.52 0.00 0.00 37.83 35.58 1xwe s LYS 1536CO 0.82 -1.02 1.28 -2.30 -0.92 0.00 0.00 175.35 173.21 1xwe n PRO 1537N -0.91 0.06 0.00 -1.68 -0.02 -1.26 -1.76 135.00 129.43 1xwe n PRO 1537Ca 0.10 0.55 0.06 0.00 -2.02 0.00 0.00 63.50 62.19 1xwe n PRO 1537Cb 0.46 -1.69 0.27 0.00 -0.02 0.00 0.00 33.50 32.52 1xwe n PRO 1537CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1xwe n GLU 1538N -1.81 0.07 -3.91 -0.52 2.13 -1.26 -4.49 120.64 110.85 1xwe n GLU 1538Ca -0.01 0.25 -0.27 0.00 0.66 0.00 0.00 57.16 57.79 1xwe n GLU 1538Cb 0.02 -1.50 -0.17 0.00 0.27 0.00 0.00 31.44 30.06 1xwe n GLU 1538CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 1xwe s ILE 1539N -2.82 1.11 0.00 6.31 -1.09 -0.72 -4.46 121.20 119.53 1xwe s ILE 1539Ca 0.08 -0.41 0.00 0.00 -2.23 0.00 0.00 60.65 58.09 1xwe s ILE 1539Cb 0.08 -1.15 0.00 0.00 -1.58 0.00 0.00 42.46 39.81 1xwe s ILE 1539CO 0.20 0.32 0.22 0.00 -1.23 0.00 0.00 174.94 174.45 1xwe n ALA 1540N 4.91 -0.09 -2.85 9.38 0.00 0.23 -4.86 120.51 127.23 1xwe n ALA 1540Ca -0.13 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 52.97 1xwe n ALA 1540Cb 0.49 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.83 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 -1.12 3.07 -0.09 0.00 1.13 -0.64 -3.13 117.35 116.58 1xwe s TYR 1541Ca 0.00 -0.12 -0.03 0.00 -1.41 0.00 0.00 57.07 55.51 1xwe s TYR 1541Cb 0.00 -1.91 0.04 0.00 -1.10 0.00 0.00 41.96 38.99 1xwe s TYR 1541CO 0.00 0.13 0.07 0.00 -2.51 0.00 0.00 175.55 173.23 1xwe s ALA 1542N -0.00 0.33 0.00 9.51 0.00 -1.00 -1.44 121.76 129.15 1xwe s ALA 1542Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 51.96 51.97 1xwe s ALA 1542Cb -0.13 -0.78 0.00 0.00 0.00 0.00 0.00 23.12 22.21 1xwe s ALA 1542CO 0.02 -0.73 0.00 0.98 0.00 0.00 0.00 175.76 176.03 1xwe n TYR 1543N 5.28 0.00 -4.75 0.00 4.19 -0.97 -1.37 117.16 119.54 1xwe n TYR 1543Ca -0.05 0.00 -0.26 0.00 3.31 0.00 0.00 57.90 60.91 1xwe n TYR 1543Cb 0.50 0.00 -0.16 0.00 0.49 0.00 0.00 39.34 40.16 1xwe n TYR 1543CO 0.00 0.00 0.00 0.21 0.91 0.00 0.00 176.86 177.98 1xwe s LYS 1544N 0.00 1.86 0.03 2.98 2.20 -1.09 -2.33 119.74 123.38 1xwe s LYS 1544Ca 0.00 -0.54 0.01 0.00 -0.36 0.00 0.00 55.97 55.08 1xwe s LYS 1544Cb 0.00 -1.54 -0.02 0.00 -1.51 0.00 0.00 37.83 34.76 1xwe s LYS 1544CO 0.00 0.14 -0.06 0.14 -0.36 0.00 0.00 175.35 175.21 1xwe s VAL 1545N 0.35 0.39 0.22 4.02 -7.23 -0.96 -1.00 120.40 116.19 1xwe s VAL 1545Ca -0.10 -0.80 0.11 0.00 -1.81 0.00 0.00 61.98 59.37 1xwe s VAL 1545Cb -0.14 -0.45 -0.05 0.00 0.56 0.00 0.00 36.38 36.31 1xwe s VAL 1545CO 0.04 -0.28 -0.16 -0.55 -0.31 0.00 0.00 175.10 173.83 1xwe s SER 1546N -1.16 3.84 -0.07 4.85 0.15 -0.55 -0.87 113.70 119.89 1xwe s SER 1546Ca -0.08 -0.81 -0.11 0.00 0.70 0.00 0.00 55.95 55.65 1xwe s SER 1546Cb -0.08 -0.47 -0.05 0.00 -1.71 0.00 0.00 66.02 63.72 1xwe s SER 1546CO -0.00 0.08 0.27 -0.63 1.20 0.00 0.00 173.24 174.16 1xwe s ILE 1547N -1.99 5.28 0.00 6.45 -1.09 -1.14 -0.85 121.20 127.86 1xwe s ILE 1547Ca 0.26 0.51 0.00 0.00 -2.23 0.00 0.00 60.65 59.18 1xwe s ILE 1547Cb -0.07 -3.55 0.00 0.00 -1.58 0.00 0.00 42.46 37.26 1xwe s ILE 1547CO 0.14 0.59 0.00 1.07 -1.23 0.00 0.00 174.94 175.51 1xwe n THR 1548N 2.02 0.00 -3.66 2.92 5.66 -1.16 -0.29 114.28 119.77 1xwe n THR 1548Ca -0.17 -0.03 -0.09 0.00 -3.05 0.00 0.00 64.05 60.70 1xwe n THR 1548Cb 0.54 0.97 -0.08 0.00 -1.55 0.00 0.00 70.33 70.20 1xwe n THR 1548CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 1xwe s SER 1549N -0.07 -0.77 -0.21 1.09 0.01 -0.93 -4.90 113.70 107.91 1xwe s SER 1549Ca 0.00 1.30 -0.02 0.00 1.31 0.00 0.00 55.95 58.54 1xwe s SER 1549Cb 0.00 1.20 0.06 0.00 0.21 0.00 0.00 66.02 67.49 1xwe s SER 1549CO 0.00 -0.22 0.00 -0.63 0.41 0.00 0.00 173.24 172.80 1xwe s ILE 1550N 1.28 0.89 0.02 1.44 1.01 -1.26 -0.96 121.20 123.63 1xwe s ILE 1550Ca -0.08 -0.81 0.07 0.00 0.00 0.00 0.00 60.65 59.83 1xwe s ILE 1550Cb -0.06 -1.32 -0.02 0.00 0.01 0.00 0.00 42.46 41.07 1xwe s ILE 1550CO -0.13 -0.17 -0.20 -0.89 0.00 0.00 0.00 174.94 173.54 1xwe s THR 1551N 1.69 1.59 -0.02 2.92 2.01 -1.14 -5.04 115.64 117.65 1xwe s THR 1551Ca -0.03 -1.07 0.02 0.00 0.31 0.00 0.00 61.69 60.93 1xwe s THR 1551Cb -0.18 -1.36 -0.00 0.00 0.01 0.00 0.00 72.50 70.97 1xwe s THR 1551CO -0.07 0.27 -0.08 0.54 -0.69 0.00 0.00 174.62 174.59 1xwe s VAL 1552N -0.69 0.66 0.00 3.82 0.11 -1.26 -1.49 120.40 121.54 1xwe s VAL 1552Ca 0.07 -0.32 0.00 0.00 -2.93 0.00 0.00 61.98 58.80 1xwe s VAL 1552Cb -0.08 -0.58 0.00 0.00 -1.53 0.00 0.00 36.38 34.19 1xwe s VAL 1552CO 0.01 0.20 0.00 -0.62 -3.33 0.00 0.00 175.10 171.36 1xwe n GLU 1553N 3.13 0.00 0.00 1.54 1.02 -1.24 -5.02 120.64 120.08 1xwe n GLU 1553Ca -0.16 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.98 1xwe n GLU 1553Cb 0.56 -0.10 0.00 0.00 -0.02 0.00 0.00 31.44 31.88 1xwe n GLU 1553CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1xwe n ASN 1554N -1.23 0.00 -0.10 1.62 5.03 -1.26 -5.01 115.26 114.32 1xwe n ASN 1554Ca 0.00 0.00 -0.18 0.00 0.87 0.00 0.00 54.58 55.27 1xwe n ASN 1554Cb 0.00 0.00 -0.08 0.00 -1.02 0.00 0.00 39.78 38.68 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 -2.16 1.14 -2.82 2.41 0.31 -1.26 -4.94 118.33 111.01 1xwe n VAL 1555Ca 0.00 -0.36 -0.42 0.00 -0.01 0.00 0.00 64.34 63.55 1xwe n VAL 1555Cb 0.00 -1.50 -0.04 0.00 -0.91 0.00 0.00 33.84 31.39 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 -2.39 3.35 -0.22 3.52 0.08 -1.26 -2.97 117.98 118.09 1xwe s PHE 1556Ca -0.28 1.27 -0.11 0.00 0.12 0.00 0.00 56.93 57.93 1xwe s PHE 1556Cb 0.09 -3.11 -0.05 0.00 -0.57 0.00 0.00 43.02 39.38 1xwe s PHE 1556CO 0.41 -0.39 0.16 0.08 -0.10 0.00 0.00 175.22 175.38 1xwe s VAL 1557N 2.79 5.37 0.12 -0.44 1.01 -0.83 -3.64 120.40 124.79 1xwe s VAL 1557Ca 0.39 0.21 0.01 0.00 0.00 0.00 0.00 61.98 62.59 1xwe s VAL 1557Cb -0.16 -3.50 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 1xwe s VAL 1557CO 0.08 0.37 0.27 -0.54 0.00 0.00 0.00 175.10 175.29 1xwe s LYS 1558N 0.83 3.45 -0.21 2.72 3.01 -0.56 -1.54 119.74 127.44 1xwe s LYS 1558Ca 0.08 -0.51 -0.04 0.00 -1.01 0.00 0.00 55.97 54.49 1xwe s LYS 1558Cb -0.13 -2.98 0.07 0.00 -1.01 0.00 0.00 37.83 33.79 1xwe s LYS 1558CO 0.02 0.54 0.10 0.71 0.51 0.00 0.00 175.35 177.23 1xwe s TYR 1559N -1.68 0.34 -0.70 3.18 2.02 0.47 -2.89 117.35 118.09 1xwe s TYR 1559Ca 0.35 -0.57 -0.25 0.00 -0.37 0.00 0.00 57.07 56.24 1xwe s TYR 1559Cb -0.12 -0.81 0.05 0.00 -0.40 0.00 0.00 41.96 40.69 1xwe s TYR 1559CO 0.28 -0.63 1.12 0.15 -1.57 0.00 0.00 175.55 174.91 1xwe s LYS 1560N 2.09 3.15 0.34 -0.62 -0.14 -0.13 -1.94 119.74 122.49 1xwe s LYS 1560Ca 0.04 -0.55 0.09 0.00 -1.36 0.00 0.00 55.97 54.19 1xwe s LYS 1560Cb -0.16 -4.21 -0.05 0.00 -1.68 0.00 0.00 37.83 31.73 1xwe s LYS 1560CO -0.18 -1.98 0.01 0.00 -0.76 0.00 0.00 175.35 172.44 1xwe s ALA 1561N 4.88 3.19 -0.16 5.17 0.00 -0.46 -2.20 121.76 132.18 1xwe s ALA 1561Ca 0.28 -1.98 0.01 0.00 0.00 0.00 0.00 51.96 50.28 1xwe s ALA 1561Cb -0.12 -0.34 0.02 0.00 0.00 0.00 0.00 23.12 22.67 1xwe s ALA 1561CO 0.12 0.06 -0.19 0.99 0.00 0.00 0.00 175.76 176.75 1xwe s THR 1562N -2.53 1.91 -0.59 0.00 2.01 -0.03 -1.98 115.64 114.43 1xwe s THR 1562Ca 0.35 -0.85 -0.27 0.00 0.31 0.00 0.00 61.69 61.23 1xwe s THR 1562Cb 0.00 -1.73 -0.02 0.00 0.01 0.00 0.00 72.50 70.76 1xwe s THR 1562CO 0.19 0.52 1.88 -0.22 -0.69 0.00 0.00 174.62 176.30 1xwe s LEU 1563N 1.26 3.31 0.07 4.42 2.96 -1.16 -1.48 118.68 128.06 1xwe s LEU 1563Ca 0.03 0.42 -0.34 0.00 -0.22 0.00 0.00 54.13 54.02 1xwe s LEU 1563Cb -0.13 -2.58 -0.19 0.00 0.50 0.00 0.00 46.19 43.78 1xwe s LEU 1563CO -0.10 -2.36 1.61 -0.07 -1.32 0.00 0.00 176.35 174.10 1xwe h LEU 1564N 16.42 -0.88 -8.32 -0.68 -0.00 -1.41 1.45 115.31 121.88 1xwe h LEU 1564Ca -0.26 0.03 -0.24 0.00 -0.00 0.00 0.00 57.88 57.41 1xwe h LEU 1564Cb 1.17 0.23 -0.17 0.00 -0.00 0.00 0.00 40.66 41.89 1xwe h LEU 1564CO 1.21 -0.62 -0.71 -1.81 -0.00 0.00 0.00 178.44 176.51 1xwe s ASP 1565N -4.31 1.00 -0.09 -0.43 1.01 -0.93 -0.96 116.67 111.96 1xwe s ASP 1565Ca -0.18 -0.82 -0.01 0.00 0.71 0.00 0.00 52.55 52.25 1xwe s ASP 1565Cb 0.03 0.07 0.03 0.00 1.01 0.00 0.00 42.92 44.06 1xwe s ASP 1565CO 0.62 -0.36 -0.02 -0.51 0.21 0.00 0.00 175.17 175.10 1xwe s ILE 1566N -2.73 0.60 -0.03 0.77 1.10 -1.26 -2.67 121.20 116.98 1xwe s ILE 1566Ca 0.03 -0.03 -0.00 0.00 -0.51 0.00 0.00 60.65 60.14 1xwe s ILE 1566Cb -0.01 -0.71 -0.00 0.00 0.15 0.00 0.00 42.46 41.89 1xwe s ILE 1566CO -0.03 0.29 -0.01 1.88 -2.11 0.00 0.00 174.94 174.96 1xwe h TYR 1567N 8.28 0.00 -3.33 3.50 0.05 -1.62 -3.44 116.97 120.41 1xwe h TYR 1567Ca -0.23 0.00 -0.70 0.00 0.05 0.00 0.00 58.73 57.85 1xwe h TYR 1567Cb 1.13 0.00 -0.19 0.00 1.01 0.00 0.00 36.73 38.67 1xwe h TYR 1567CO 0.47 0.00 -0.11 0.21 -1.05 0.00 0.00 178.16 177.68 1xwe s LYS 1568N -1.17 3.08 0.23 4.88 2.36 -1.14 -4.96 119.74 123.01 1xwe s LYS 1568Ca -0.00 -1.00 -0.30 0.00 -2.55 0.00 0.00 55.97 52.11 1xwe s LYS 1568Cb 0.00 -4.08 -0.15 0.00 -1.05 0.00 0.00 37.83 32.55 1xwe s LYS 1568CO 0.01 -1.09 1.07 2.41 1.55 0.00 0.00 175.35 179.29 1xwe n THR 1569N 5.46 1.44 -2.75 3.43 -1.04 -1.26 -2.36 114.28 117.19 1xwe n THR 1569Ca -0.08 -0.36 -0.42 0.00 -2.04 0.00 0.00 64.05 61.14 1xwe n THR 1569Cb 0.45 -0.88 -0.03 0.00 -1.82 0.00 0.00 70.33 68.05 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 -0.29 1.79 0.63 3.41 0.00 -1.18 -4.37 107.32 107.30 1xwe s GLY 1570Ca 0.66 0.08 0.31 0.00 0.00 0.00 0.00 44.72 45.78 1xwe s GLY 1570CO 0.56 2.01 2.04 0.83 0.00 0.00 0.00 173.10 178.54 1xwe h GLU 1571N 7.49 0.00 -1.63 2.90 5.08 -1.91 -0.89 114.58 125.62 1xwe h GLU 1571Ca -0.22 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.57 1xwe h GLU 1571Cb 1.08 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 30.11 1xwe h GLU 1571CO 0.93 0.00 0.68 0.00 -1.00 0.00 0.00 179.01 179.62 1xwe n ALA 1572N -2.14 6.13 -2.53 3.43 0.00 -1.26 -4.88 120.51 119.25 1xwe n ALA 1572Ca 0.01 -3.08 -0.03 0.00 0.00 0.00 0.00 53.44 50.34 1xwe n ALA 1572Cb 0.37 -1.83 -0.02 0.00 0.00 0.00 0.00 19.45 17.97 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 -0.05-11.48 -3.67 0.00 0.31 -0.37 -4.85 118.33 98.21 1xwe n VAL 1573Ca 0.49 2.08 -0.11 0.00 -0.01 0.00 0.00 64.34 66.79 1xwe n VAL 1573Cb 0.51 -6.46 -0.11 0.00 -0.91 0.00 0.00 33.84 26.87 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 -1.04 -0.85 -0.01 3.52 0.00 -1.02 -4.88 121.76 117.48 1xwe s ALA 1574Ca -0.13 1.24 -0.11 0.00 0.00 0.00 0.00 51.96 52.96 1xwe s ALA 1574Cb 0.01 -1.06 0.01 0.00 0.00 0.00 0.00 23.12 22.08 1xwe s ALA 1574CO 0.71 -0.57 0.23 -1.21 0.00 0.00 0.00 175.76 174.92 1xwe s GLU 1575N 2.18 0.56 -0.10 0.00 0.41 -1.26 -3.49 118.70 117.00 1xwe s GLU 1575Ca -0.03 -0.25 -0.41 0.00 -0.41 0.00 0.00 54.97 53.87 1xwe s GLU 1575Cb -0.11 0.24 -0.19 0.00 -1.78 0.00 0.00 34.13 32.29 1xwe s GLU 1575CO -0.11 -0.14 1.28 0.36 -0.49 0.00 0.00 175.26 176.16 1xwe n LYS 1576N 1.47 0.32 -2.89 1.61 2.85 -1.26 -2.79 118.16 117.46 1xwe n LYS 1576Ca -0.22 0.12 -0.03 0.00 -1.05 0.00 0.00 58.31 57.13 1xwe n LYS 1576Cb 0.56 -1.66 0.00 0.00 -0.65 0.00 0.00 35.03 33.28 1xwe n LYS 1576CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1xwe n ASP 1577N 2.49 -7.56 -0.91 -5.58 2.03 0.49 -4.93 116.55 102.59 1xwe n ASP 1577Ca 0.22 0.17 0.00 0.00 0.52 0.00 0.00 54.79 55.70 1xwe n ASP 1577Cb 0.08 -5.12 0.00 0.00 -0.72 0.00 0.00 41.12 35.36 1xwe n ASP 1577CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1xwe n SER 1578N -1.15 0.26 -4.40 1.67 2.88 -1.01 -4.96 113.62 106.91 1xwe n SER 1578Ca 0.05 -0.81 -0.33 0.00 -1.33 0.00 0.00 58.87 56.44 1xwe n SER 1578Cb 0.47 0.00 -0.14 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 -1.43 3.48 0.00 -1.46 2.12 -1.26 -2.99 118.70 117.17 1xwe s GLU 1579Ca 0.00 -0.62 -0.02 0.00 0.36 0.00 0.00 54.97 54.68 1xwe s GLU 1579Cb 0.00 -2.77 -0.01 0.00 0.26 0.00 0.00 34.13 31.61 1xwe s GLU 1579CO 0.00 0.17 0.04 0.96 -0.54 0.00 0.00 175.26 175.89 1xwe s ILE 1580N 0.49 0.07 -0.01 -3.70 -4.36 -0.83 -4.93 121.20 107.92 1xwe s ILE 1580Ca -0.07 -0.54 0.03 0.00 -0.26 0.00 0.00 60.65 59.81 1xwe s ILE 1580Cb -0.15 -0.24 -0.01 0.00 1.25 0.00 0.00 42.46 43.31 1xwe s ILE 1580CO 0.04 -0.30 -0.08 -0.89 0.24 0.00 0.00 174.94 173.95 1xwe s THR 1581N -0.92 0.67 0.06 8.37 2.01 -1.26 -1.35 115.64 123.22 1xwe s THR 1581Ca -0.10 -0.36 0.08 0.00 0.31 0.00 0.00 61.69 61.62 1xwe s THR 1581Cb -0.06 -0.56 -0.03 0.00 0.01 0.00 0.00 72.50 71.86 1xwe s THR 1581CO -0.00 0.19 -0.23 -0.36 -0.69 0.00 0.00 174.62 173.53 1xwe s PHE 1582N -0.20 2.00 0.08 4.92 0.08 -0.82 -1.12 117.98 122.91 1xwe s PHE 1582Ca 0.03 -0.39 0.07 0.00 0.12 0.00 0.00 56.93 56.76 1xwe s PHE 1582Cb -0.03 -1.17 -0.03 0.00 -0.57 0.00 0.00 43.02 41.22 1xwe s PHE 1582CO -0.00 0.15 -0.17 0.96 -0.10 0.00 0.00 175.22 176.05 1xwe s ILE 1583N -0.89 1.40 0.00 0.64 -4.36 -0.75 -0.40 121.20 116.85 1xwe s ILE 1583Ca 0.09 -1.35 0.00 0.00 -0.26 0.00 0.00 60.65 59.14 1xwe s ILE 1583Cb -0.09 -1.29 0.00 0.00 1.25 0.00 0.00 42.46 42.33 1xwe s ILE 1583CO 0.03 -0.09 0.00 2.29 0.24 0.00 0.00 174.94 177.41 1xwe n LYS 1584N 1.34 0.00 -3.15 0.37 2.85 -0.59 -3.33 118.16 115.65 1xwe n LYS 1584Ca -0.20 0.00 -0.17 0.00 -1.05 0.00 0.00 58.31 56.89 1xwe n LYS 1584Cb 0.54 0.00 -0.01 0.00 -0.65 0.00 0.00 35.03 34.91 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 0.00 1.05 0.00 -1.58 4.01 -1.26 -1.96 118.16 118.42 1xwe n LYS 1585Ca 0.00 -2.19 0.14 0.00 -0.51 0.00 0.00 58.31 55.74 1xwe n LYS 1585Cb 0.00 0.34 0.45 0.00 -0.51 0.00 0.00 35.03 35.31 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 -1.16 0.00 -0.06 -0.18 0.24 -1.16 -3.91 118.33 112.10 1xwe n VAL 1586Ca -0.05 -0.22 -0.12 0.00 -2.04 0.00 0.00 64.34 61.91 1xwe n VAL 1586Cb 0.39 0.53 -0.15 0.00 -1.47 0.00 0.00 33.84 33.15 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 -0.03 1.54 -2.09 3.34 -2.24 -1.26 -4.72 114.28 108.82 1xwe n THR 1587Ca 0.17 -0.77 -0.28 0.00 -2.27 0.00 0.00 64.05 60.89 1xwe n THR 1587Cb 0.37 -0.96 -0.06 0.00 -2.10 0.00 0.00 70.33 67.58 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 7.77 0.10 0.17 0.00 -2.24 -1.26 -3.94 114.28 114.88 1xwe n THR 1589Ca 0.43 -0.12 0.06 0.00 -2.27 0.00 0.00 64.05 62.15 1xwe n THR 1589Cb 0.47 0.31 0.21 0.00 -2.10 0.00 0.00 70.33 69.21 1xwe n THR 1589CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1xwe h ASN 1590N 0.00 0.00 -3.91 3.42 2.35 -1.82 -3.38 115.58 112.23 1xwe h ASN 1590Ca 0.00 0.00 -0.75 0.00 -0.55 0.00 0.00 56.30 55.00 1xwe h ASN 1590Cb 0.61 0.00 -0.30 0.00 0.05 0.00 0.00 38.32 38.68 1xwe h ASN 1590CO 0.00 0.38 -0.07 0.00 -1.65 0.00 0.00 177.43 176.09 1xwe s ALA 1591N -3.28 3.95 -0.28 -0.83 0.00 -1.25 -4.19 121.76 115.88 1xwe s ALA 1591Ca 0.02 -3.38 0.00 0.00 0.00 0.00 0.00 51.96 48.61 1xwe s ALA 1591Cb 0.09 -3.15 0.08 0.00 0.00 0.00 0.00 23.12 20.14 1xwe s ALA 1591CO 0.70 -2.20 0.03 -1.21 0.00 0.00 0.00 175.76 173.08 1xwe s GLU 1592N -0.14 1.16 0.62 0.00 2.02 -1.26 -5.03 118.70 116.07 1xwe s GLU 1592Ca 0.19 -1.13 -0.10 0.00 0.02 0.00 0.00 54.97 53.96 1xwe s GLU 1592Cb -0.14 -2.44 -0.02 0.00 0.10 0.00 0.00 34.13 31.64 1xwe s GLU 1592CO -0.07 -0.81 1.01 -0.51 0.02 0.00 0.00 175.26 174.90 1xwe s LEU 1593N 1.43 3.19 -0.03 1.80 1.02 -1.26 -5.08 118.68 119.76 1xwe s LEU 1593Ca 0.04 1.22 0.02 0.00 0.02 0.00 0.00 54.13 55.42 1xwe s LEU 1593Cb -0.18 -4.17 -0.03 0.00 0.02 0.00 0.00 46.19 41.83 1xwe s LEU 1593CO -0.14 -0.98 -0.05 -0.69 0.02 0.00 0.00 176.35 174.52 1xwe s VAL 1594N -3.16 3.82 0.23 -1.59 1.01 -1.26 -5.09 120.40 114.35 1xwe s VAL 1594Ca 0.55 -0.60 -0.30 0.00 0.00 0.00 0.00 61.98 61.63 1xwe s VAL 1594Cb -0.11 -2.63 -0.09 0.00 0.00 0.00 0.00 36.38 33.55 1xwe s VAL 1594CO 0.51 0.48 1.24 -0.75 0.00 0.00 0.00 175.10 176.58 1xwe s LYS 1595N -1.20 4.46 -0.72 2.72 2.20 -1.26 -3.95 119.74 121.99 1xwe s LYS 1595Ca 0.16 1.98 -0.02 0.00 -0.36 0.00 0.00 55.97 57.72 1xwe s LYS 1595Cb -0.11 -3.19 -0.03 0.00 -1.51 0.00 0.00 37.83 32.99 1xwe s LYS 1595CO 0.06 -0.12 0.65 0.41 -0.36 0.00 0.00 175.35 175.99 1xwe n GLY 1596N 1.90 -0.92 3.64 5.54 0.00 0.60 -4.97 105.19 110.98 1xwe n GLY 1596Ca 0.04 0.38 -0.08 0.00 0.00 0.00 0.00 46.02 46.35 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 -3.54 0.45 0.22 1.61 3.52 -1.25 -4.95 118.95 115.01 1xwe s ARG 1597Ca 0.18 0.54 -0.30 0.00 -0.13 0.00 0.00 55.73 56.02 1xwe s ARG 1597Cb -0.02 0.22 -0.08 0.00 -1.56 0.00 0.00 34.95 33.50 1xwe s ARG 1597CO 0.60 -0.05 0.99 -0.65 -0.81 0.00 0.00 175.30 175.37 1xwe s GLN 1598N 0.24 4.77 -0.08 5.12 -0.21 -1.26 -2.87 119.66 125.37 1xwe s GLN 1598Ca 0.03 1.56 -0.04 0.00 0.02 0.00 0.00 55.36 56.93 1xwe s GLN 1598Cb -0.05 -3.28 0.04 0.00 1.00 0.00 0.00 33.01 30.72 1xwe s GLN 1598CO -0.08 0.37 0.18 0.71 -2.12 0.00 0.00 175.29 174.36 1xwe s TYR 1599N -0.89 -0.22 -0.01 0.91 2.02 -0.05 -2.08 117.35 117.03 1xwe s TYR 1599Ca 0.43 0.58 -0.30 0.00 -0.37 0.00 0.00 57.07 57.42 1xwe s TYR 1599Cb -0.27 -0.02 -0.06 0.00 -0.40 0.00 0.00 41.96 41.22 1xwe s TYR 1599CO 0.34 -0.18 1.50 -1.17 -1.57 0.00 0.00 175.55 174.47 1xwe s LEU 1600N 1.04 4.32 0.00 -1.29 1.98 0.31 -2.27 118.68 122.77 1xwe s LEU 1600Ca -0.08 2.19 0.00 0.00 -2.89 0.00 0.00 54.13 53.36 1xwe s LEU 1600Cb -0.10 -3.55 -0.00 0.00 0.66 0.00 0.00 46.19 43.20 1xwe s LEU 1600CO -0.06 -0.80 -0.02 -0.63 -1.89 0.00 0.00 176.35 172.95 1xwe s ILE 1601N 2.86 0.12 -0.43 6.68 1.01 -0.98 -1.04 121.20 129.41 1xwe s ILE 1601Ca 0.67 -0.22 0.02 0.00 0.00 0.00 0.00 60.65 61.12 1xwe s ILE 1601Cb -0.33 -0.14 0.14 0.00 0.01 0.00 0.00 42.46 42.14 1xwe s ILE 1601CO 0.28 -0.07 0.24 -0.04 0.00 0.00 0.00 174.94 175.34 1xwe s MET 1602N -0.30 1.24 0.26 2.79 -1.94 -0.78 -2.29 119.30 118.27 1xwe s MET 1602Ca -0.02 -1.96 -0.05 0.00 -1.71 0.00 0.00 55.69 51.95 1xwe s MET 1602Cb -0.02 -2.27 -0.05 0.00 2.01 0.00 0.00 34.83 34.49 1xwe s MET 1602CO -0.00 -1.16 0.52 0.20 -0.01 0.00 0.00 175.02 174.57 1xwe s GLY 1603N 0.41 1.92 0.45 -0.03 0.00 -0.52 -3.23 107.32 106.31 1xwe s GLY 1603Ca 0.18 -0.56 -0.02 0.00 0.00 0.00 0.00 44.72 44.32 1xwe s GLY 1603CO 0.00 -0.46 0.70 1.25 0.00 0.00 0.00 173.10 174.59 1xwe s LYS 1604N -3.39 3.23 0.17 2.90 2.47 -1.26 0.75 119.74 124.61 1xwe s LYS 1604Ca 0.43 -0.25 -0.33 0.00 -1.56 0.00 0.00 55.97 54.26 1xwe s LYS 1604Cb -0.11 -2.50 -0.15 0.00 -1.46 0.00 0.00 37.83 33.61 1xwe s LYS 1604CO 0.29 -0.23 1.38 -1.91 0.16 0.00 0.00 175.35 175.04 1xwe n GLU 1605N -2.12 1.68 -0.64 4.03 2.13 -1.26 -4.68 120.64 119.77 1xwe n GLU 1605Ca 0.00 0.60 -0.01 0.00 0.66 0.00 0.00 57.16 58.42 1xwe n GLU 1605Cb 0.57 -2.25 0.00 0.00 0.27 0.00 0.00 31.44 30.03 1xwe n GLU 1605CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1xwe n ALA 1606N 2.35 0.00 -1.80 4.31 0.00 -1.26 -4.91 120.51 119.20 1xwe n ALA 1606Ca 0.15 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1xwe n ALA 1606Cb 0.27 0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.72 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 -3.15 0.00 7.99 -1.17 -4.94 117.00 115.73 1xwe n LEU 1607Ca 0.00 0.00 0.04 0.00 -0.01 0.00 0.00 56.01 56.05 1xwe n LEU 1607Cb 0.01 0.00 -0.00 0.00 -0.11 0.00 0.00 43.42 43.32 1xwe n LEU 1607CO 0.01 -0.32 0.18 -1.58 -1.51 0.00 0.00 177.39 174.17 1xwe s GLN 1608N -1.06 0.49 -0.08 3.23 0.74 -1.25 -4.32 119.66 117.41 1xwe s GLN 1608Ca 0.00 0.54 -0.01 0.00 0.05 0.00 0.00 55.36 55.94 1xwe s GLN 1608Cb 0.00 0.26 -0.26 0.00 1.10 0.00 0.00 33.01 34.11 1xwe s GLN 1608CO 0.00 -0.87 0.53 0.82 -0.55 0.00 0.00 175.29 175.23 1xwe h ILE 1609N 5.77 0.77 -5.58 -2.34 2.04 -1.35 -3.48 117.51 113.33 1xwe h ILE 1609Ca -0.05 -2.51 0.00 0.00 1.00 0.00 0.00 64.86 63.30 1xwe h ILE 1609Cb 1.18 2.53 -0.01 0.00 -0.74 0.00 0.00 36.82 39.78 1xwe h ILE 1609CO 0.12 0.77 -1.00 1.17 0.00 0.00 0.00 178.15 179.21 1xwe n LYS 1610N -3.36 -2.47 -2.52 2.37 4.81 -1.25 -4.85 118.16 110.90 1xwe n LYS 1610Ca -0.25 2.13 -0.24 0.00 -0.87 0.00 0.00 58.31 59.08 1xwe n LYS 1610Cb 1.05 -3.69 0.11 0.00 0.02 0.00 0.00 35.03 32.52 1xwe n LYS 1610CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 1xwe s TYR 1611N -1.24 1.76 0.11 5.64 2.02 -1.05 -4.85 117.35 119.74 1xwe s TYR 1611Ca -0.03 -0.17 -0.13 0.00 -0.37 0.00 0.00 57.07 56.37 1xwe s TYR 1611Cb 0.00 -3.07 -0.09 0.00 -0.40 0.00 0.00 41.96 38.41 1xwe s TYR 1611CO 0.49 -1.69 1.40 -0.97 -1.57 0.00 0.00 175.55 173.21 1xwe h ASN 1612N -0.57 0.89 0.05 2.29 -1.24 -2.01 -3.29 115.58 111.72 1xwe h ASN 1612Ca -0.38 -0.51 -0.20 0.00 0.71 0.00 0.00 56.30 55.91 1xwe h ASN 1612Cb 1.27 -0.26 0.02 0.00 0.73 0.00 0.00 38.32 40.08 1xwe h ASN 1612CO 0.42 1.24 -0.83 0.00 -1.29 0.00 0.00 177.43 176.97 1xwe h ALA 1613N 0.68 0.03 -1.61 1.57 0.00 -2.04 -3.47 119.26 114.42 1xwe h ALA 1613Ca 0.03 -0.65 0.06 0.00 0.00 0.00 0.00 54.91 54.34 1xwe h ALA 1613Cb 1.05 0.07 -0.26 0.00 0.00 0.00 0.00 17.79 18.64 1xwe h ALA 1613CO 0.10 0.46 0.45 0.45 0.00 0.00 0.00 179.25 180.72 1xwe s SER 1614N -7.00 -0.45 0.65 0.00 0.15 -1.24 -5.16 113.70 100.65 1xwe s SER 1614Ca -0.12 0.86 -0.16 0.00 0.70 0.00 0.00 55.95 57.23 1xwe s SER 1614Cb 0.04 0.86 -0.00 0.00 -1.71 0.00 0.00 66.02 65.21 1xwe s SER 1614CO 0.86 -0.16 1.14 0.72 1.20 0.00 0.00 173.24 176.99 1xwe s PHE 1615N 0.17 2.51 0.03 3.44 -0.12 -1.26 -2.54 117.98 120.22 1xwe s PHE 1615Ca 0.03 1.56 0.03 0.00 -0.05 0.00 0.00 56.93 58.50 1xwe s PHE 1615Cb -0.05 -3.26 -0.02 0.00 -0.63 0.00 0.00 43.02 39.06 1xwe s PHE 1615CO -0.06 -1.87 -0.09 0.50 -0.05 0.00 0.00 175.22 173.65 1xwe s ARG 1616N -3.90 0.63 0.10 1.99 3.52 -1.26 -4.77 118.95 115.26 1xwe s ARG 1616Ca 0.70 -0.65 0.00 0.00 -0.13 0.00 0.00 55.73 55.65 1xwe s ARG 1616Cb -0.23 -0.53 0.00 0.00 -1.56 0.00 0.00 34.95 32.63 1xwe s ARG 1616CO 0.39 0.12 0.00 0.66 -0.81 0.00 0.00 175.30 175.66 1xwe n TYR 1617N 1.88 -0.08 -2.20 5.12 4.02 -1.26 -0.91 117.16 123.73 1xwe n TYR 1617Ca -0.19 0.01 -0.01 0.00 -0.01 0.00 0.00 57.90 57.70 1xwe n TYR 1617Cb 0.55 0.02 -0.01 0.00 -0.02 0.00 0.00 39.34 39.89 1xwe n TYR 1617CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 176.86 174.96 1xwe n ILE 1618N -3.46-11.90 -3.07 -0.72 2.08 -1.26 -3.06 119.36 97.97 1xwe n ILE 1618Ca 0.00 2.71 -0.39 0.00 0.56 0.00 0.00 62.75 65.63 1xwe n ILE 1618Cb 0.00 -5.75 -0.06 0.00 -0.75 0.00 0.00 39.64 33.08 1xwe n ILE 1618CO 0.00 0.00 0.00 -0.31 0.56 0.00 0.00 176.55 176.80 1xwe s TYR 1619N -0.53 3.81 0.64 1.39 2.02 -0.28 -3.95 117.35 120.45 1xwe s TYR 1619Ca -0.03 1.46 -0.11 0.00 -0.37 0.00 0.00 57.07 58.02 1xwe s TYR 1619Cb 0.00 -2.71 0.15 0.00 -0.40 0.00 0.00 41.96 39.00 1xwe s TYR 1619CO 0.09 0.44 0.81 -0.35 -1.57 0.00 0.00 175.55 174.96 1xwe n PRO 1620N 2.13 -1.10 -2.69 -1.71 -0.04 -1.26 -1.81 135.00 128.52 1xwe n PRO 1620Ca -0.06 -1.26 -0.07 0.00 -0.04 0.00 0.00 63.50 62.08 1xwe n PRO 1620Cb 0.50 -0.89 0.05 0.00 -0.04 0.00 0.00 33.50 33.11 1xwe n PRO 1620CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1xwe n LEU 1621N 0.00 0.95 -4.29 1.53 4.77 -1.21 -4.58 117.00 114.17 1xwe n LEU 1621Ca 0.10 -3.56 -0.30 0.00 -0.03 0.00 0.00 56.01 52.22 1xwe n LEU 1621Cb 0.36 0.38 0.29 0.00 -2.33 0.00 0.00 43.42 42.12 1xwe n LEU 1621CO 0.26 1.52 0.40 -1.81 -1.33 0.00 0.00 177.39 176.43 1xwe s ASP 1622N -2.93 -1.06 0.00 -1.43 1.11 -1.26 -2.31 116.67 108.78 1xwe s ASP 1622Ca 0.26 0.94 0.04 0.00 0.18 0.00 0.00 52.55 53.97 1xwe s ASP 1622Cb 0.43 -1.35 0.21 0.00 1.07 0.00 0.00 42.92 43.28 1xwe s ASP 1622CO 0.01 -5.38 1.06 -1.54 1.18 0.00 0.00 175.17 170.50 1xwe n SER 1623N -5.65 0.00 -0.83 0.27 3.41 -1.25 -0.95 113.62 108.62 1xwe n SER 1623Ca 0.11 -1.72 0.08 0.00 -0.26 0.00 0.00 58.87 57.09 1xwe n SER 1623Cb 0.59 0.00 0.16 0.00 -0.26 0.00 0.00 64.21 64.70 1xwe n SER 1623CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xwe n LEU 1624N -0.56 2.94 -4.59 1.04 -0.00 -1.26 -4.56 117.00 110.00 1xwe n LEU 1624Ca 0.03 -1.54 -0.42 0.00 -0.00 0.00 0.00 56.01 54.07 1xwe n LEU 1624Cb 0.01 -0.19 -0.05 0.00 -0.00 0.00 0.00 43.42 43.19 1xwe n LEU 1624CO 0.02 0.65 0.60 -0.89 -0.00 0.00 0.00 177.39 177.78 1xwe s THR 1625N -1.18 4.71 0.10 1.47 2.01 -1.10 -4.94 115.64 116.70 1xwe s THR 1625Ca 0.28 0.92 -0.31 0.00 0.31 0.00 0.00 61.69 62.89 1xwe s THR 1625Cb 0.16 -4.23 -0.07 0.00 0.01 0.00 0.00 72.50 68.38 1xwe s THR 1625CO 0.22 -0.45 1.28 0.86 -0.69 0.00 0.00 174.62 175.85 1xwe s TRP 1626N 3.15 3.35 -0.01 4.92 -0.11 -1.20 -4.40 118.94 124.64 1xwe s TRP 1626Ca 0.32 1.15 0.01 0.00 1.22 0.00 0.00 56.10 58.81 1xwe s TRP 1626Cb -0.13 -3.54 0.00 0.00 -1.50 0.00 0.00 33.47 28.30 1xwe s TRP 1626CO 0.17 -1.77 -0.04 0.42 -4.62 0.00 0.00 176.95 171.11 1xwe s ILE 1627N 0.99 0.38 0.05 5.86 1.01 -1.25 -1.87 121.20 126.37 1xwe s ILE 1627Ca 0.61 -0.16 -0.14 0.00 0.00 0.00 0.00 60.65 60.96 1xwe s ILE 1627Cb -0.33 -0.35 0.02 0.00 0.01 0.00 0.00 42.46 41.81 1xwe s ILE 1627CO 0.30 0.13 0.32 -0.70 0.00 0.00 0.00 174.94 175.00 1xwe s GLU 1628N 0.18 0.84 -0.26 2.79 2.56 -0.21 -3.42 118.70 121.19 1xwe s GLU 1628Ca -0.02 -0.50 -0.19 0.00 0.00 0.00 0.00 54.97 54.26 1xwe s GLU 1628Cb -0.05 0.37 -0.02 0.00 2.00 0.00 0.00 34.13 36.42 1xwe s GLU 1628CO -0.00 -0.28 0.57 -0.47 -0.56 0.00 0.00 175.26 174.52 1xwe s TYR 1629N -2.63 3.27 -0.31 5.30 5.04 -1.26 -0.53 117.35 126.23 1xwe s TYR 1629Ca -0.04 0.73 -0.11 0.00 -2.44 0.00 0.00 57.07 55.20 1xwe s TYR 1629Cb -0.01 -2.78 -0.03 0.00 0.35 0.00 0.00 41.96 39.50 1xwe s TYR 1629CO -0.04 -0.30 0.19 -0.46 -1.34 0.00 0.00 175.55 173.61 1xwe s TRP 1630N 2.40 3.21 -0.62 4.97 -0.11 -0.89 -4.37 118.94 123.53 1xwe s TRP 1630Ca 0.24 -0.18 -0.30 0.00 1.22 0.00 0.00 56.10 57.07 1xwe s TRP 1630Cb -0.16 -2.40 -0.13 0.00 -1.50 0.00 0.00 33.47 29.28 1xwe s TRP 1630CO 0.09 -0.31 2.45 -2.30 -4.62 0.00 0.00 176.95 172.26 1xwe n PRO 1631N 5.05 0.69 0.29 5.86 -0.02 -1.26 -4.32 135.00 141.29 1xwe n PRO 1631Ca -0.14 0.07 0.14 0.00 -2.02 0.00 0.00 63.50 61.56 1xwe n PRO 1631Cb 0.50 -2.52 0.86 0.00 -0.02 0.00 0.00 33.50 32.32 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 15.10 0.00 -6.20 -0.52 2.43 -1.94 -3.41 114.38 119.83 1xwe h ARG 1632Ca -0.18 0.00 -0.67 0.00 -0.81 0.00 0.00 59.98 58.32 1xwe h ARG 1632Cb 1.30 0.00 -0.15 0.00 -0.42 0.00 0.00 29.97 30.70 1xwe h ARG 1632CO 1.20 0.02 -0.66 0.34 -1.51 0.00 0.00 179.97 179.36 1xwe s ASP 1633N -6.26 4.94 0.00 -3.80 -1.08 -1.26 -4.98 116.67 104.23 1xwe s ASP 1633Ca -0.05 -0.06 0.00 0.00 -0.52 0.00 0.00 52.55 51.93 1xwe s ASP 1633Cb 0.15 -1.24 0.00 0.00 -1.46 0.00 0.00 42.92 40.37 1xwe s ASP 1633CO 0.57 0.28 0.00 0.35 0.52 0.00 0.00 175.17 176.89 1xwe n THR 1634N 1.46 0.00 -0.28 1.71 -2.24 -1.25 -4.59 114.28 109.09 1xwe n THR 1634Ca -0.15 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.59 1xwe n THR 1634Cb 0.53 1.07 0.10 0.00 -2.10 0.00 0.00 70.33 69.93 1xwe n THR 1634CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1xwe h THR 1635N 0.13 1.25 -3.98 4.28 1.35 -1.94 -3.40 112.91 110.60 1xwe h THR 1635Ca 0.00 -0.75 -0.49 0.00 -0.55 0.00 0.00 66.41 64.62 1xwe h THR 1635Cb 0.06 0.27 0.03 0.00 -1.73 0.00 0.00 68.15 66.78 1xwe h THR 1635CO 0.00 0.31 0.43 0.00 -0.25 0.00 0.00 175.52 176.01 1xwe h SER 1637N 2.31 0.68 1.83 0.00 0.87 -1.93 -2.08 113.55 115.23 1xwe h SER 1637Ca -0.49 -0.14 0.00 0.00 -1.23 0.00 0.00 61.79 59.93 1xwe h SER 1637Cb 1.22 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 63.00 1xwe h SER 1637CO 0.62 0.73 0.00 -1.28 -0.53 0.00 0.00 176.83 176.37 1xwe h SER 1638N 0.68 0.00 -0.55 6.23 0.87 -1.94 -3.10 113.55 115.74 1xwe h SER 1638Ca 0.14 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.70 1xwe h SER 1638Cb 0.38 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.34 1xwe h SER 1638CO 0.01 0.00 0.00 0.00 -0.53 0.00 0.00 176.83 176.31 1xwe n GLN 1640N 0.76 0.85 0.13 0.00 7.27 -1.02 -3.83 117.38 121.53 1xwe n GLN 1640Ca 0.24 -3.49 0.00 0.00 0.07 0.00 0.00 57.00 53.82 1xwe n GLN 1640Cb 0.97 -1.59 0.00 0.00 2.41 0.00 0.00 30.24 32.04 1xwe n GLN 1640CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1xwe n ALA 1641N 1.88 3.00 0.30 1.69 0.00 -1.26 -4.83 120.51 121.28 1xwe n ALA 1641Ca 0.25 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.87 1xwe n ALA 1641Cb 0.48 0.05 0.89 0.00 0.00 0.00 0.00 19.45 20.87 1xwe n ALA 1641CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1xwe h PHE 1642N 0.00 0.00 0.00 0.00 3.57 -1.91 -1.99 116.94 116.61 1xwe h PHE 1642Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1xwe h PHE 1642Cb 0.00 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.74 1xwe h PHE 1642CO 0.00 0.03 0.00 -0.07 -2.23 0.00 0.00 178.31 176.04 1xwe h LEU 1643N 0.00 0.00 -0.36 0.59 -0.00 -1.90 -0.40 115.31 113.24 1xwe h LEU 1643Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1xwe h LEU 1643Cb 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.95 1xwe h LEU 1643CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 178.44 178.44 1xwe n ALA 1644N -1.89 2.56 0.74 1.53 0.00 -0.75 -2.99 120.51 119.72 1xwe n ALA 1644Ca -0.01 -0.23 0.08 0.00 0.00 0.00 0.00 53.44 53.28 1xwe n ALA 1644Cb 0.13 -1.18 -0.04 0.00 0.00 0.00 0.00 19.45 18.36 1xwe n ALA 1644CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1xwe n ASN 1645N -0.39 1.26 -0.03 0.00 3.02 -0.16 -4.38 115.26 114.59 1xwe n ASN 1645Ca 0.12 -1.13 0.04 0.00 -0.03 0.00 0.00 54.58 53.59 1xwe n ASN 1645Cb 0.14 0.70 -0.15 0.00 -0.61 0.00 0.00 39.78 39.85 1xwe n ASN 1645CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1xwe n LEU 1646N -0.65 0.00 0.01 3.41 7.99 -1.16 -4.05 117.00 122.54 1xwe n LEU 1646Ca 0.05 0.00 -0.01 0.00 -0.01 0.00 0.00 56.01 56.04 1xwe n LEU 1646Cb 0.30 0.13 0.26 0.00 -0.11 0.00 0.00 43.42 44.00 1xwe n LEU 1646CO 0.25 0.13 0.85 -2.24 -1.51 0.00 0.00 177.39 174.88 1xwe h ASP 1647N 0.00 0.49 0.85 -1.43 3.04 -1.76 -0.22 116.42 117.39 1xwe h ASP 1647Ca -0.15 -0.12 -0.23 0.00 -3.24 0.00 0.00 57.03 53.29 1xwe h ASP 1647Cb 1.28 -0.13 -0.02 0.00 -1.04 0.00 0.00 39.33 39.42 1xwe h ASP 1647CO 0.01 0.63 -1.06 -0.08 -2.04 0.00 0.00 179.24 176.70 1xwe h GLU 1648N 0.47 0.10 -0.00 4.15 4.81 -1.80 -3.13 114.58 119.18 1xwe h GLU 1648Ca 0.09 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1xwe h GLU 1648Cb 0.47 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.90 1xwe h GLU 1648CO 0.03 1.06 -0.07 0.34 -0.73 0.00 0.00 179.01 179.63 1xwe n PHE 1649N -3.44 0.00 -0.03 0.92 7.35 -1.03 -3.20 117.46 118.04 1xwe n PHE 1649Ca -0.03 0.00 -0.02 0.00 -0.76 0.00 0.00 57.45 56.65 1xwe n PHE 1649Cb 0.95 -0.36 -0.01 0.00 0.35 0.00 0.00 39.48 40.42 1xwe n PHE 1649CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1xwe h ALA 1650N 3.22 0.00 0.00 3.13 0.00 -1.00 -3.32 119.26 121.29 1xwe h ALA 1650Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1xwe h ALA 1650Cb 0.41 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1xwe h ALA 1650CO 0.00 0.17 0.00 -1.91 0.00 0.00 0.00 179.25 177.51 1xwe n GLU 1651N -3.28 0.11 0.00 0.00 2.13 -1.19 -2.21 120.64 116.21 1xwe n GLU 1651Ca -0.02 0.22 0.00 0.00 0.66 0.00 0.00 57.16 58.01 1xwe n GLU 1651Cb 0.09 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.30 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 -1.30 0.00 -0.11 4.31 -0.08 -1.19 -2.62 116.55 115.55 1xwe n ASP 1652Ca 0.04 0.19 0.21 0.00 -1.51 0.00 0.00 54.79 53.72 1xwe n ASP 1652Cb 0.07 -0.25 0.63 0.00 2.34 0.00 0.00 41.12 43.91 1xwe n ASP 1652CO 0.00 0.00 0.00 -0.29 0.12 0.00 0.00 177.20 177.03 1xwe h ILE 1653N 0.00 0.71 0.16 5.18 6.09 -1.66 0.87 117.51 128.86 1xwe h ILE 1653Ca 0.00 -0.05 -0.01 0.00 -1.37 0.00 0.00 64.86 63.43 1xwe h ILE 1653Cb 0.00 0.53 0.00 0.00 0.47 0.00 0.00 36.82 37.83 1xwe h ILE 1653CO 0.00 0.03 -0.08 0.15 -3.07 0.00 0.00 178.15 175.18 1xwe h PHE 1654N 0.16 -0.20 0.00 2.19 3.57 -1.63 -3.29 116.94 117.74 1xwe h PHE 1654Ca 0.34 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.84 1xwe h PHE 1654Cb 1.13 0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.94 1xwe h PHE 1654CO -0.00 0.24 -0.02 1.25 -2.23 0.00 0.00 178.31 177.55 1xwe h LEU 1655N -0.75 0.00 0.00 0.59 5.85 -1.11 -3.44 115.31 116.44 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 0.52 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.55 1xwe h LEU 1655CO 0.04 0.03 0.00 0.59 -0.34 0.00 0.00 178.44 178.76 1xwe n ASN 1656N -2.31 0.00 0.00 1.25 5.03 0.27 -5.03 115.26 114.46 1xwe n ASN 1656Ca -0.00 0.80 0.00 0.00 0.87 0.00 0.00 54.58 56.24 1xwe n ASN 1656Cb 0.01 -0.30 0.00 0.00 -1.02 0.00 0.00 39.78 38.47 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 -0.79 1.18 0.00 7.41 0.00 0.87 -4.93 105.19 108.92 1xwe n GLY 1657Ca 0.00 -1.80 0.04 0.00 0.00 0.00 0.00 46.02 44.26 1xwe n GLY 1657CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32