#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 -0.04 1.61 3.41 -1.26 -4.96 113.62 112.38 1xwe n SER 1509Ca 0.00 -0.84 -0.00 0.00 -0.26 0.00 0.00 58.87 57.77 1xwe n SER 1509Cb 0.00 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1xwe n SER 1509CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 1xwe h HIS 1510N 0.00 0.00 -4.46 7.33 -0.00 -2.09 -3.49 115.15 112.44 1xwe h HIS 1510Ca 0.00 0.00 -0.28 0.00 -0.00 0.00 0.00 60.37 60.09 1xwe h HIS 1510Cb 0.42 0.00 -0.12 0.00 -0.00 0.00 0.00 27.41 27.71 1xwe h HIS 1510CO 0.00 0.00 -0.44 0.00 -0.00 0.00 0.00 177.93 177.49 1xwe s MET 1511N -1.45 1.53 -0.26 5.26 0.00 -1.26 -5.12 119.30 118.00 1xwe s MET 1511Ca -0.00 -1.70 -0.05 0.00 0.00 0.00 0.00 55.69 53.94 1xwe s MET 1511Cb 0.00 0.35 0.14 0.00 0.00 0.00 0.00 34.83 35.31 1xwe s MET 1511CO 0.00 -0.57 0.49 0.00 0.00 0.00 0.00 175.02 174.95 1xwe s ALA 1512N -3.74 -1.58 0.31 3.16 0.00 -1.22 -5.02 121.76 113.67 1xwe s ALA 1512Ca 0.36 1.56 -0.29 0.00 0.00 0.00 0.00 51.96 53.59 1xwe s ALA 1512Cb 0.03 -1.73 -0.11 0.00 0.00 0.00 0.00 23.12 21.32 1xwe s ALA 1512CO 0.17 -1.09 1.44 -0.51 0.00 0.00 0.00 175.76 175.78 1xwe s ASP 1513N 2.71 6.55 0.00 0.00 1.11 -1.24 -3.63 116.67 122.18 1xwe s ASP 1513Ca 0.08 2.82 0.00 0.00 0.18 0.00 0.00 52.55 55.63 1xwe s ASP 1513Cb -0.14 -2.64 0.00 0.00 1.07 0.00 0.00 42.92 41.21 1xwe s ASP 1513CO -0.17 -0.74 0.71 0.00 1.18 0.00 0.00 175.17 176.15 1xwe n GLY 1515N 0.32 0.77 3.70 0.00 0.00 -1.12 -3.02 105.19 105.85 1xwe n GLY 1515Ca 0.00 -0.62 -0.58 0.00 0.00 0.00 0.00 46.02 44.82 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 0.00 1.01 -2.30 1.61 10.64 -1.26 -4.83 117.38 122.24 1xwe n GLN 1516Ca 0.00 0.37 -0.40 0.00 -1.83 0.00 0.00 57.00 55.13 1xwe n GLN 1516Cb 0.00 -2.02 -0.03 0.00 -0.86 0.00 0.00 30.24 27.32 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 3.08 4.48 1.07 2.61 -1.94 -1.26 -4.93 119.30 122.42 1xwe s MET 1517Ca 0.97 2.00 -0.12 0.00 -1.71 0.00 0.00 55.69 56.84 1xwe s MET 1517Cb -1.11 -3.11 0.23 0.00 2.01 0.00 0.00 34.83 32.85 1xwe s MET 1517CO 0.65 0.00 1.06 -0.65 -0.01 0.00 0.00 175.02 176.08 1xwe s GLN 1518N -1.64 -0.19 0.97 2.03 -1.52 -1.25 -4.99 119.66 113.06 1xwe s GLN 1518Ca 0.47 0.89 -0.11 0.00 -1.95 0.00 0.00 55.36 54.66 1xwe s GLN 1518Cb -0.36 -1.64 0.17 0.00 -0.22 0.00 0.00 33.01 30.97 1xwe s GLN 1518CO 0.47 -3.25 1.10 -1.21 -0.25 0.00 0.00 175.29 172.14 1xwe s GLU 1519N -4.62 0.64 -0.09 2.91 0.41 -1.26 -4.91 118.70 111.78 1xwe s GLU 1519Ca 0.67 1.15 -0.14 0.00 -0.41 0.00 0.00 54.97 56.24 1xwe s GLU 1519Cb -0.23 -1.71 -0.05 0.00 -1.78 0.00 0.00 34.13 30.36 1xwe s GLU 1519CO 0.62 -2.76 0.33 -2.00 -0.49 0.00 0.00 175.26 170.96 1xwe s GLU 1520N -4.69 4.01 -1.98 1.61 2.12 -1.26 -4.11 118.70 114.40 1xwe s GLU 1520Ca 0.66 0.22 0.00 0.00 0.36 0.00 0.00 54.97 56.21 1xwe s GLU 1520Cb -0.22 -3.31 0.00 0.00 0.26 0.00 0.00 34.13 30.86 1xwe s GLU 1520CO 0.59 0.49 0.00 1.28 -0.54 0.00 0.00 175.26 177.08 1xwe n LEU 1521N 2.66 -1.48 -4.56 2.70 4.77 -1.26 -4.85 117.00 114.99 1xwe n LEU 1521Ca -0.13 0.40 -0.37 0.00 -0.03 0.00 0.00 56.01 55.87 1xwe n LEU 1521Cb 0.52 -2.71 -0.03 0.00 -2.33 0.00 0.00 43.42 38.88 1xwe n LEU 1521CO 0.38 -0.87 1.98 -0.62 -1.33 0.00 0.00 177.39 176.93 1xwe s ASP 1522N -2.53 4.60 -0.68 -1.43 2.15 -1.26 -4.90 116.67 112.62 1xwe s ASP 1522Ca 0.00 1.15 -0.15 0.00 0.43 0.00 0.00 52.55 53.98 1xwe s ASP 1522Cb 0.00 -2.50 0.17 0.00 -0.30 0.00 0.00 42.92 40.28 1xwe s ASP 1522CO 0.00 -2.74 0.65 -0.76 -0.17 0.00 0.00 175.17 172.14 1xwe s LEU 1523N 11.57 6.36 0.00 -1.34 1.43 -1.26 -4.37 118.68 131.06 1xwe s LEU 1523Ca 0.96 -2.16 0.00 0.00 -1.03 0.00 0.00 54.13 51.90 1xwe s LEU 1523Cb -0.19 -2.22 0.00 0.00 0.03 0.00 0.00 46.19 43.81 1xwe s LEU 1523CO 0.27 -0.76 0.00 1.07 0.23 0.00 0.00 176.35 177.16 1xwe n THR 1524N 4.72 0.00 -2.90 5.49 5.66 -1.26 -5.13 114.28 120.87 1xwe n THR 1524Ca -0.01 0.00 -0.41 0.00 -3.05 0.00 0.00 64.05 60.58 1xwe n THR 1524Cb 0.43 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.17 1xwe n THR 1524CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 1xwe s ILE 1525N -0.02 4.94 0.67 1.09 1.01 -1.26 -5.05 121.20 122.58 1xwe s ILE 1525Ca 0.00 1.67 -0.11 0.00 0.00 0.00 0.00 60.65 62.21 1xwe s ILE 1525Cb 0.00 -4.15 -0.01 0.00 0.01 0.00 0.00 42.46 38.31 1xwe s ILE 1525CO 0.00 0.14 1.05 -0.55 0.00 0.00 0.00 174.94 175.58 1xwe s SER 1526N 0.99 5.67 0.23 3.58 0.15 -1.26 -4.94 113.70 118.12 1xwe s SER 1526Ca 0.41 1.51 0.23 0.00 0.70 0.00 0.00 55.95 58.80 1xwe s SER 1526Cb -0.18 -2.44 0.95 0.00 -1.71 0.00 0.00 66.02 62.64 1xwe s SER 1526CO 0.18 -1.24 1.69 0.00 1.20 0.00 0.00 173.24 175.07 1xwe n ALA 1527N -2.99 1.66 -0.02 5.45 0.00 -1.26 -2.52 120.51 120.83 1xwe n ALA 1527Ca 0.07 0.07 -0.12 0.00 0.00 0.00 0.00 53.44 53.46 1xwe n ALA 1527Cb 0.54 -1.37 -0.14 0.00 0.00 0.00 0.00 19.45 18.48 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 -2.17 0.67 -0.16 0.00 1.02 -1.26 -3.25 120.64 115.48 1xwe n GLU 1528Ca 0.02 0.28 -0.02 0.00 -0.02 0.00 0.00 57.16 57.42 1xwe n GLU 1528Cb 0.22 -1.76 0.20 0.00 -0.02 0.00 0.00 31.44 30.08 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 0.02 1.22 0.00 2.62 2.02 -1.87 -1.01 112.91 115.91 1xwe h THR 1529Ca -0.33 -0.69 0.00 0.00 0.77 0.00 0.00 66.41 66.16 1xwe h THR 1529Cb 2.03 0.49 0.00 0.00 -1.74 0.00 0.00 68.15 68.93 1xwe h THR 1529CO 0.08 0.27 -0.43 -2.11 0.37 0.00 0.00 175.52 173.70 1xwe n ARG 1530N -4.31 0.04 0.03 6.66 1.85 -1.21 -3.86 116.66 115.86 1xwe n ARG 1530Ca 0.05 0.01 -0.15 0.00 -1.00 0.00 0.00 57.85 56.77 1xwe n ARG 1530Cb 0.17 -1.53 -0.14 0.00 -1.05 0.00 0.00 32.46 29.91 1xwe n ARG 1530CO 0.00 0.00 0.00 -0.22 -0.01 0.00 0.00 177.63 177.40 1xwe h LYS 1531N 0.00 0.17 0.00 2.89 1.63 -1.34 -3.30 116.57 116.62 1xwe h LYS 1531Ca 0.00 -0.28 0.00 0.00 -0.85 0.00 0.00 60.65 59.52 1xwe h LYS 1531Cb 0.53 0.11 0.00 0.00 -0.60 0.00 0.00 32.23 32.27 1xwe h LYS 1531CO 0.00 0.95 0.00 1.04 -3.45 0.00 0.00 179.45 177.99 1xwe n GLN 1532N -3.34 0.11 0.03 1.90 6.02 -0.46 -0.95 117.38 120.70 1xwe n GLN 1532Ca -0.18 0.54 -0.02 0.00 -0.01 0.00 0.00 57.00 57.33 1xwe n GLN 1532Cb 1.04 -1.81 -0.09 0.00 1.02 0.00 0.00 30.24 30.40 1xwe n GLN 1532CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.06 177.20 1xwe h THR 1533N 0.00 0.64 0.60 5.09 2.02 -1.74 -3.23 112.91 116.29 1xwe h THR 1533Ca 0.00 -2.20 -0.03 0.00 0.77 0.00 0.00 66.41 64.95 1xwe h THR 1533Cb 0.08 2.17 0.01 0.00 -1.74 0.00 0.00 68.15 68.67 1xwe h THR 1533CO 0.00 0.36 -0.29 0.00 0.37 0.00 0.00 175.52 175.97 1xwe h ALA 1534N 1.33 -0.81 0.00 6.16 0.00 -1.17 -2.99 119.26 121.79 1xwe h ALA 1534Ca -0.17 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1xwe h ALA 1534Cb 1.65 0.31 0.00 0.00 0.00 0.00 0.00 17.79 19.76 1xwe h ALA 1534CO 0.06 -0.79 0.00 0.00 0.00 0.00 0.00 179.25 178.52 1xwe s LYS 1536N -2.77 4.20 0.50 0.00 2.20 -1.13 -4.89 119.74 117.85 1xwe s LYS 1536Ca 0.11 2.44 0.21 0.00 -0.36 0.00 0.00 55.97 58.37 1xwe s LYS 1536Cb 0.10 -3.03 1.28 0.00 -1.51 0.00 0.00 37.83 34.67 1xwe s LYS 1536CO 0.25 -0.45 2.01 -1.00 -0.36 0.00 0.00 175.35 175.79 1xwe h PRO 1537N 3.90 0.11 0.00 4.03 0.13 -1.87 0.10 132.00 138.40 1xwe h PRO 1537Ca -0.49 -0.01 -0.03 0.00 -0.87 0.00 0.00 66.00 64.61 1xwe h PRO 1537Cb 1.23 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 1xwe h PRO 1537CO 0.70 0.07 -0.12 1.49 -0.23 0.00 0.00 178.00 179.92 1xwe h GLU 1538N 0.11 0.00 -5.27 0.86 4.57 -1.90 -3.41 114.58 109.55 1xwe h GLU 1538Ca 0.23 0.00 -0.62 0.00 -1.18 0.00 0.00 59.36 57.79 1xwe h GLU 1538Cb 0.78 0.00 -0.18 0.00 -0.16 0.00 0.00 28.75 29.19 1xwe h GLU 1538CO -0.03 0.12 -0.59 0.42 -1.18 0.00 0.00 179.01 177.75 1xwe s ILE 1539N -4.23 4.55 -0.24 2.32 1.09 0.02 -2.30 121.20 122.40 1xwe s ILE 1539Ca -0.03 -0.12 -0.02 0.00 -1.10 0.00 0.00 60.65 59.38 1xwe s ILE 1539Cb 0.13 -3.04 -0.18 0.00 -1.06 0.00 0.00 42.46 38.32 1xwe s ILE 1539CO 0.59 0.46 -0.16 0.00 -0.10 0.00 0.00 174.94 175.73 1xwe n ALA 1540N 3.61 1.32 -2.41 9.38 0.00 -0.01 -4.64 120.51 127.76 1xwe n ALA 1540Ca -0.17 -1.03 -0.21 0.00 0.00 0.00 0.00 53.44 52.03 1xwe n ALA 1540Cb 0.52 -0.15 -0.10 0.00 0.00 0.00 0.00 19.45 19.72 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 -2.52 1.95 -0.26 0.00 -0.85 -0.57 -4.32 117.35 110.78 1xwe s TYR 1541Ca -0.34 -0.47 -0.02 0.00 -0.52 0.00 0.00 57.07 55.72 1xwe s TYR 1541Cb 0.09 -0.89 0.15 0.00 0.38 0.00 0.00 41.96 41.69 1xwe s TYR 1541CO 0.61 0.49 0.43 0.00 -1.52 0.00 0.00 175.55 175.55 1xwe s ALA 1542N -2.63 -1.35 0.34 9.51 0.00 -0.90 -2.06 121.76 124.66 1xwe s ALA 1542Ca 0.24 1.13 -0.10 0.00 0.00 0.00 0.00 51.96 53.23 1xwe s ALA 1542Cb -0.03 -1.78 0.04 0.00 0.00 0.00 0.00 23.12 21.35 1xwe s ALA 1542CO 0.10 -1.27 0.62 2.48 0.00 0.00 0.00 175.76 177.68 1xwe n TYR 1543N 5.38 -1.96 -4.89 0.00 0.18 -0.80 0.29 117.16 115.36 1xwe n TYR 1543Ca -0.03 -1.77 -0.33 0.00 1.88 0.00 0.00 57.90 57.65 1xwe n TYR 1543Cb 0.50 0.72 -0.14 0.00 -0.38 0.00 0.00 39.34 40.05 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 -2.26 2.89 0.37 -3.48 2.20 -0.92 -2.26 119.74 116.28 1xwe s LYS 1544Ca 0.17 -0.72 0.03 0.00 -0.36 0.00 0.00 55.97 55.10 1xwe s LYS 1544Cb -0.03 -2.46 -0.04 0.00 -1.51 0.00 0.00 37.83 33.79 1xwe s LYS 1544CO 0.13 0.42 0.10 0.14 -0.36 0.00 0.00 175.35 175.78 1xwe s VAL 1545N -0.20 0.77 -0.11 4.02 -7.23 -0.93 -0.14 120.40 116.58 1xwe s VAL 1545Ca 0.00 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.13 1xwe s VAL 1545Cb -0.13 -2.51 0.06 0.00 0.56 0.00 0.00 36.38 34.36 1xwe s VAL 1545CO 0.03 0.00 0.17 -0.94 -0.31 0.00 0.00 175.10 174.05 1xwe s SER 1546N -3.55 0.95 0.33 4.85 1.04 0.57 -2.29 113.70 115.61 1xwe s SER 1546Ca 0.29 0.19 -0.28 0.00 0.48 0.00 0.00 55.95 56.62 1xwe s SER 1546Cb 0.05 0.28 -0.12 0.00 0.10 0.00 0.00 66.02 66.33 1xwe s SER 1546CO 0.15 -0.27 1.28 -0.38 0.98 0.00 0.00 173.24 175.00 1xwe n ILE 1547N 5.32 1.90 0.00 -1.02 2.08 -0.61 -0.93 119.36 126.10 1xwe n ILE 1547Ca -0.05 -0.48 0.00 0.00 0.56 0.00 0.00 62.75 62.78 1xwe n ILE 1547Cb 0.50 -1.53 0.00 0.00 -0.75 0.00 0.00 39.64 37.86 1xwe n ILE 1547CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 1xwe n THR 1548N 0.48 0.00 -3.65 1.39 -2.24 -0.74 -2.20 114.28 107.32 1xwe n THR 1548Ca 0.06 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.73 1xwe n THR 1548Cb 0.35 0.15 -0.05 0.00 -2.10 0.00 0.00 70.33 68.68 1xwe n THR 1548CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1xwe s SER 1549N -1.34 -0.23 -0.13 3.42 0.15 -0.84 -4.82 113.70 109.90 1xwe s SER 1549Ca 0.00 -0.25 -0.04 0.00 0.70 0.00 0.00 55.95 56.36 1xwe s SER 1549Cb 0.00 0.46 0.06 0.00 -1.71 0.00 0.00 66.02 64.83 1xwe s SER 1549CO 0.00 -0.80 0.19 -0.63 1.20 0.00 0.00 173.24 173.19 1xwe s ILE 1550N -3.47 -0.29 -0.34 6.45 1.01 -1.26 -1.87 121.20 121.43 1xwe s ILE 1550Ca 0.01 0.19 -0.05 0.00 0.00 0.00 0.00 60.65 60.79 1xwe s ILE 1550Cb 0.01 -0.43 0.05 0.00 0.01 0.00 0.00 42.46 42.09 1xwe s ILE 1550CO -0.10 0.02 0.09 -0.89 0.00 0.00 0.00 174.94 174.07 1xwe s THR 1551N 2.31 3.62 -0.22 2.92 2.01 -0.40 -5.02 115.64 120.86 1xwe s THR 1551Ca 0.04 -1.22 -0.07 0.00 0.31 0.00 0.00 61.69 60.75 1xwe s THR 1551Cb -0.13 -3.08 -0.03 0.00 0.01 0.00 0.00 72.50 69.27 1xwe s THR 1551CO -0.08 -0.19 0.05 0.54 -0.69 0.00 0.00 174.62 174.25 1xwe s VAL 1552N 1.36 4.32 0.48 3.82 0.11 -1.26 0.11 120.40 129.35 1xwe s VAL 1552Ca -0.02 -0.18 0.06 0.00 -2.93 0.00 0.00 61.98 58.92 1xwe s VAL 1552Cb -0.20 -2.99 0.00 0.00 -1.53 0.00 0.00 36.38 31.67 1xwe s VAL 1552CO 0.02 0.39 0.34 -0.70 -3.33 0.00 0.00 175.10 171.82 1xwe s GLU 1553N 1.18 2.31 0.62 1.54 2.56 -1.19 -4.99 118.70 120.73 1xwe s GLU 1553Ca 0.04 -1.87 0.30 0.00 0.00 0.00 0.00 54.97 53.44 1xwe s GLU 1553Cb -0.14 -2.13 1.64 0.00 2.00 0.00 0.00 34.13 35.50 1xwe s GLU 1553CO 0.03 -0.40 1.99 -0.91 -0.56 0.00 0.00 175.26 175.40 1xwe h ASN 1554N 0.98 0.00 0.00 -1.70 2.35 -2.04 -3.40 115.58 111.77 1xwe h ASN 1554Ca -0.39 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.36 1xwe h ASN 1554Cb 1.28 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.65 1xwe h ASN 1554CO 0.60 0.00 0.00 0.52 -1.65 0.00 0.00 177.43 176.90 1xwe n VAL 1555N -3.40 0.00 -2.52 2.81 0.31 -1.26 -5.07 118.33 109.20 1xwe n VAL 1555Ca 0.02 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 63.92 1xwe n VAL 1555Cb 0.44 -0.05 -0.02 0.00 -0.91 0.00 0.00 33.84 33.29 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 -0.57 3.05 -0.30 3.52 0.08 -1.26 -4.35 117.98 118.14 1xwe s PHE 1556Ca 0.00 1.19 -0.07 0.00 0.12 0.00 0.00 56.93 58.17 1xwe s PHE 1556Cb 0.00 -3.41 0.00 0.00 -0.57 0.00 0.00 43.02 39.05 1xwe s PHE 1556CO 0.00 -1.21 0.09 0.54 -0.10 0.00 0.00 175.22 174.54 1xwe s VAL 1557N 3.37 4.08 0.35 -0.44 0.11 -0.80 -3.15 120.40 123.93 1xwe s VAL 1557Ca 0.50 -0.63 -0.06 0.00 -2.93 0.00 0.00 61.98 58.86 1xwe s VAL 1557Cb -0.19 -3.09 -0.05 0.00 -1.53 0.00 0.00 36.38 31.52 1xwe s VAL 1557CO 0.11 0.09 0.65 -0.54 -3.33 0.00 0.00 175.10 172.08 1xwe s LYS 1558N 1.52 3.66 -0.04 1.54 3.01 0.12 -0.81 119.74 128.75 1xwe s LYS 1558Ca 0.03 0.16 0.01 0.00 -1.01 0.00 0.00 55.97 55.16 1xwe s LYS 1558Cb -0.17 -2.53 0.02 0.00 -1.01 0.00 0.00 37.83 34.14 1xwe s LYS 1558CO 0.03 0.08 -0.03 0.71 0.51 0.00 0.00 175.35 176.65 1xwe s TYR 1559N -2.27 0.56 -0.14 3.18 2.02 0.46 -1.27 117.35 119.88 1xwe s TYR 1559Ca 0.46 -0.12 -0.04 0.00 -0.37 0.00 0.00 57.07 57.01 1xwe s TYR 1559Cb -0.10 -0.54 -0.03 0.00 -0.40 0.00 0.00 41.96 40.89 1xwe s TYR 1559CO 0.32 -0.15 -0.02 0.21 -1.57 0.00 0.00 175.55 174.34 1xwe s LYS 1560N 0.87 3.56 0.26 -0.62 2.47 -0.78 -0.86 119.74 124.64 1xwe s LYS 1560Ca -0.10 -0.48 0.02 0.00 -1.56 0.00 0.00 55.97 53.84 1xwe s LYS 1560Cb -0.13 -2.91 -0.04 0.00 -1.46 0.00 0.00 37.83 33.28 1xwe s LYS 1560CO -0.00 0.34 0.17 0.00 0.16 0.00 0.00 175.35 176.02 1xwe s ALA 1561N 0.11 1.56 -0.10 3.13 0.00 -0.97 -1.79 121.76 123.71 1xwe s ALA 1561Ca 0.00 -1.82 0.03 0.00 0.00 0.00 0.00 51.96 50.17 1xwe s ALA 1561Cb -0.13 1.34 0.01 0.00 0.00 0.00 0.00 23.12 24.34 1xwe s ALA 1561CO 0.02 -0.58 -0.18 0.99 0.00 0.00 0.00 175.76 176.01 1xwe s THR 1562N -3.82 1.62 -0.88 0.00 2.01 -0.11 -3.08 115.64 111.38 1xwe s THR 1562Ca 0.39 -0.74 -0.25 0.00 0.31 0.00 0.00 61.69 61.40 1xwe s THR 1562Cb 0.05 -1.45 -0.04 0.00 0.01 0.00 0.00 72.50 71.07 1xwe s THR 1562CO 0.18 0.46 1.93 -0.22 -0.69 0.00 0.00 174.62 176.28 1xwe s LEU 1563N 0.73 3.19 0.25 4.42 2.96 -1.17 -0.31 118.68 128.74 1xwe s LEU 1563Ca -0.12 -0.60 -0.04 0.00 -0.22 0.00 0.00 54.13 53.16 1xwe s LEU 1563Cb -0.16 -2.56 0.51 0.00 0.50 0.00 0.00 46.19 44.48 1xwe s LEU 1563CO 0.02 -2.68 1.68 -0.07 -1.32 0.00 0.00 176.35 173.98 1xwe h LEU 1564N 17.62 0.04 -7.00 -0.68 3.38 -0.83 -1.53 115.31 126.31 1xwe h LEU 1564Ca 0.06 0.15 0.11 0.00 0.09 0.00 0.00 57.88 58.30 1xwe h LEU 1564Cb 1.02 0.20 -0.21 0.00 0.09 0.00 0.00 40.66 41.76 1xwe h LEU 1564CO 1.22 -0.04 0.57 -0.62 0.09 0.00 0.00 178.44 179.66 1xwe s ASP 1565N -5.23 -0.34 -0.19 -0.43 -1.08 -0.89 -4.58 116.67 103.94 1xwe s ASP 1565Ca -0.13 0.25 -0.09 0.00 -0.52 0.00 0.00 52.55 52.06 1xwe s ASP 1565Cb 0.22 0.30 -0.05 0.00 -1.46 0.00 0.00 42.92 41.93 1xwe s ASP 1565CO 0.76 -0.40 0.11 -0.63 0.52 0.00 0.00 175.17 175.54 1xwe s ILE 1566N -1.76 5.26 -0.05 4.11 1.01 -1.26 -2.16 121.20 126.35 1xwe s ILE 1566Ca 0.01 0.14 0.11 0.00 0.00 0.00 0.00 60.65 60.90 1xwe s ILE 1566Cb -0.01 -3.39 -0.16 0.00 0.01 0.00 0.00 42.46 38.91 1xwe s ILE 1566CO -0.02 0.45 0.16 -1.22 0.00 0.00 0.00 174.94 174.30 1xwe n TYR 1567N 3.50 0.00 -3.44 3.97 4.01 -0.64 -4.91 117.16 119.64 1xwe n TYR 1567Ca -0.16 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.41 1xwe n TYR 1567Cb 0.52 -0.37 -0.11 0.00 -0.31 0.00 0.00 39.34 39.07 1xwe n TYR 1567CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 1xwe s LYS 1568N -2.56 0.26 0.15 -0.72 2.47 0.14 -4.76 119.74 114.73 1xwe s LYS 1568Ca -0.05 0.13 -0.33 0.00 -1.56 0.00 0.00 55.97 54.17 1xwe s LYS 1568Cb 0.05 -0.92 -0.17 0.00 -1.46 0.00 0.00 37.83 35.34 1xwe s LYS 1568CO 0.46 -0.78 1.04 2.41 0.16 0.00 0.00 175.35 178.64 1xwe n THR 1569N 5.32 0.95 -3.31 3.43 -1.04 -1.26 -2.13 114.28 116.25 1xwe n THR 1569Ca -0.04 -0.24 -0.38 0.00 -2.04 0.00 0.00 64.05 61.35 1xwe n THR 1569Cb 0.48 -0.57 -0.06 0.00 -1.82 0.00 0.00 70.33 68.37 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 -0.18 2.44 0.66 3.41 0.00 -1.26 -4.39 107.32 108.00 1xwe s GLY 1570Ca 0.74 -0.15 0.42 0.00 0.00 0.00 0.00 44.72 45.73 1xwe s GLY 1570CO 0.54 0.71 2.32 0.83 0.00 0.00 0.00 173.10 177.50 1xwe h GLU 1571N 6.35 0.00 -1.74 2.90 4.39 -1.92 -2.31 114.58 122.26 1xwe h GLU 1571Ca -0.43 0.00 -0.38 0.00 0.34 0.00 0.00 59.36 58.90 1xwe h GLU 1571Cb 1.19 0.00 -0.15 0.00 -0.10 0.00 0.00 28.75 29.69 1xwe h GLU 1571CO 0.73 0.00 0.36 0.00 -1.16 0.00 0.00 179.01 178.94 1xwe n ALA 1572N -2.09 5.68 -2.67 3.43 0.00 -1.26 -4.86 120.51 118.73 1xwe n ALA 1572Ca -0.03 -2.17 -0.03 0.00 0.00 0.00 0.00 53.44 51.21 1xwe n ALA 1572Cb 0.11 -1.71 -0.03 0.00 0.00 0.00 0.00 19.45 17.82 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 0.69-12.15 -3.46 0.00 0.31 -0.88 -4.88 118.33 97.96 1xwe n VAL 1573Ca 0.37 2.34 -0.35 0.00 -0.01 0.00 0.00 64.34 66.69 1xwe n VAL 1573Cb 0.59 -6.55 -0.06 0.00 -0.91 0.00 0.00 33.84 26.91 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 -1.03 3.65 -0.10 3.52 0.00 -1.12 -4.90 121.76 121.78 1xwe s ALA 1574Ca -0.17 -0.24 -0.08 0.00 0.00 0.00 0.00 51.96 51.47 1xwe s ALA 1574Cb 0.01 -2.40 0.03 0.00 0.00 0.00 0.00 23.12 20.76 1xwe s ALA 1574CO 0.76 0.50 0.26 -2.00 0.00 0.00 0.00 175.76 175.28 1xwe s GLU 1575N -1.85 0.28 0.23 0.00 2.56 -1.26 -4.93 118.70 113.74 1xwe s GLU 1575Ca 0.34 0.40 -0.32 0.00 0.00 0.00 0.00 54.97 55.39 1xwe s GLU 1575Cb -0.15 0.09 -0.13 0.00 2.00 0.00 0.00 34.13 35.95 1xwe s GLU 1575CO 0.18 -0.06 1.48 1.17 -0.56 0.00 0.00 175.26 177.47 1xwe n LYS 1576N 3.20 2.19 -4.14 4.30 3.00 -1.26 -1.42 118.16 124.03 1xwe n LYS 1576Ca -0.15 0.78 -0.35 0.00 -0.00 0.00 0.00 58.31 58.59 1xwe n LYS 1576Cb 0.57 -2.49 -0.03 0.00 0.00 0.00 0.00 35.03 33.08 1xwe n LYS 1576CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1xwe n ASP 1577N 2.45 -3.05 -2.85 3.14 5.68 -0.58 -4.92 116.55 116.42 1xwe n ASP 1577Ca 0.12 -0.94 0.00 0.00 -0.50 0.00 0.00 54.79 53.47 1xwe n ASP 1577Cb 0.32 -2.53 0.00 0.00 -1.14 0.00 0.00 41.12 37.77 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 -2.54 -1.43 -3.98 -1.12 2.88 -0.51 -4.54 113.62 102.39 1xwe n SER 1578Ca 0.08 -0.21 -0.31 0.00 -1.33 0.00 0.00 58.87 57.10 1xwe n SER 1578Cb 0.49 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.79 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 -2.77 1.61 0.08 -1.46 2.12 -1.26 -3.02 118.70 114.00 1xwe s GLU 1579Ca 0.00 -1.41 -0.00 0.00 0.36 0.00 0.00 54.97 53.92 1xwe s GLU 1579Cb 0.00 -2.81 -0.04 0.00 0.26 0.00 0.00 34.13 31.54 1xwe s GLU 1579CO 0.00 -0.76 0.24 0.96 -0.54 0.00 0.00 175.26 175.16 1xwe s ILE 1580N 1.17 5.35 -0.25 -3.70 -4.36 -1.18 -5.02 121.20 113.22 1xwe s ILE 1580Ca 0.01 -0.36 -0.03 0.00 -0.26 0.00 0.00 60.65 60.02 1xwe s ILE 1580Cb -0.19 -3.64 0.08 0.00 1.25 0.00 0.00 42.46 39.96 1xwe s ILE 1580CO -0.09 0.10 0.07 -0.89 0.24 0.00 0.00 174.94 174.38 1xwe s THR 1581N -1.56 0.50 -0.31 8.37 2.01 -1.26 -2.28 115.64 121.11 1xwe s THR 1581Ca 0.36 -0.84 -0.12 0.00 0.31 0.00 0.00 61.69 61.41 1xwe s THR 1581Cb -0.13 -1.20 -0.03 0.00 0.01 0.00 0.00 72.50 71.15 1xwe s THR 1581CO 0.28 -0.45 0.21 -0.36 -0.69 0.00 0.00 174.62 173.60 1xwe s PHE 1582N 1.84 3.22 0.07 4.92 0.40 -0.04 -1.18 117.98 127.21 1xwe s PHE 1582Ca 0.04 -0.12 -0.02 0.00 -0.60 0.00 0.00 56.93 56.24 1xwe s PHE 1582Cb -0.17 -2.42 -0.04 0.00 0.51 0.00 0.00 43.02 40.90 1xwe s PHE 1582CO -0.18 -0.29 0.25 0.96 0.70 0.00 0.00 175.22 176.65 1xwe s ILE 1583N 1.72 5.34 0.12 0.64 -4.36 -0.84 -0.41 121.20 123.42 1xwe s ILE 1583Ca 0.06 -0.25 0.03 0.00 -0.26 0.00 0.00 60.65 60.24 1xwe s ILE 1583Cb -0.17 -3.62 -0.04 0.00 1.25 0.00 0.00 42.46 39.88 1xwe s ILE 1583CO 0.10 0.14 -0.09 -0.75 0.24 0.00 0.00 174.94 174.59 1xwe s LYS 1584N -2.45 0.94 0.00 0.37 2.20 0.01 -3.36 119.74 117.45 1xwe s LYS 1584Ca 0.35 -1.35 0.00 0.00 -0.36 0.00 0.00 55.97 54.61 1xwe s LYS 1584Cb -0.13 -0.48 0.00 0.00 -1.51 0.00 0.00 37.83 35.72 1xwe s LYS 1584CO 0.26 0.05 0.00 1.63 -0.36 0.00 0.00 175.35 176.93 1xwe n LYS 1585N 0.01 1.56 -0.11 4.03 5.02 -1.26 -1.91 118.16 125.50 1xwe n LYS 1585Ca -0.12 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.29 1xwe n LYS 1585Cb 0.60 0.00 0.27 0.00 -0.02 0.00 0.00 35.03 35.88 1xwe n LYS 1585CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 1xwe n VAL 1586N -0.53 0.29 1.11 -0.18 0.24 -1.26 -3.94 118.33 114.06 1xwe n VAL 1586Ca 0.00 -0.54 0.12 0.00 -2.04 0.00 0.00 64.34 61.88 1xwe n VAL 1586Cb 0.00 0.82 0.19 0.00 -1.47 0.00 0.00 33.84 33.39 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 0.99 0.00 0.00 3.34 -2.24 -1.26 -4.51 114.28 110.60 1xwe n THR 1587Ca 0.17 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 1xwe n THR 1587Cb 0.50 0.72 0.00 0.00 -2.10 0.00 0.00 70.33 69.44 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 -1.80 -0.19 -0.31 0.00 -2.24 -1.26 -4.63 114.28 103.84 1xwe n THR 1589Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1xwe n THR 1589Cb 0.00 -1.09 0.00 0.00 -2.10 0.00 0.00 70.33 67.14 1xwe n THR 1589CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1xwe n ASN 1590N -0.79 0.13 -4.70 3.42 4.13 -1.26 -5.05 115.26 111.13 1xwe n ASN 1590Ca -0.10 -0.52 -0.39 0.00 1.68 0.00 0.00 54.58 55.25 1xwe n ASN 1590Cb 0.43 0.16 -0.05 0.00 -1.54 0.00 0.00 39.78 38.78 1xwe n ASN 1590CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1xwe s ALA 1591N -0.16 3.45 -0.31 5.41 0.00 -1.26 -4.37 121.76 124.52 1xwe s ALA 1591Ca 0.00 -0.11 0.03 0.00 0.00 0.00 0.00 51.96 51.88 1xwe s ALA 1591Cb 0.00 -2.87 0.08 0.00 0.00 0.00 0.00 23.12 20.33 1xwe s ALA 1591CO 0.00 -0.23 -0.01 -1.21 0.00 0.00 0.00 175.76 174.31 1xwe s GLU 1592N 1.15 1.85 -0.40 0.00 0.41 -1.26 -5.06 118.70 115.39 1xwe s GLU 1592Ca 0.31 -1.64 0.04 0.00 -0.41 0.00 0.00 54.97 53.27 1xwe s GLU 1592Cb -0.16 -3.10 0.11 0.00 -1.78 0.00 0.00 34.13 29.20 1xwe s GLU 1592CO 0.13 -0.78 0.13 -0.51 -0.49 0.00 0.00 175.26 173.74 1xwe s LEU 1593N 1.01 4.36 0.44 1.80 1.43 -1.26 -5.10 118.68 121.35 1xwe s LEU 1593Ca 0.02 -2.44 -0.22 0.00 -1.03 0.00 0.00 54.13 50.46 1xwe s LEU 1593Cb -0.20 -1.56 -0.09 0.00 0.03 0.00 0.00 46.19 44.38 1xwe s LEU 1593CO -0.06 -0.33 1.05 -0.69 0.23 0.00 0.00 176.35 176.55 1xwe s VAL 1594N 0.51 3.70 0.27 -1.59 1.01 -1.26 -4.99 120.40 118.05 1xwe s VAL 1594Ca 0.13 1.20 -0.30 0.00 0.00 0.00 0.00 61.98 63.01 1xwe s VAL 1594Cb -0.22 -3.56 -0.10 0.00 0.00 0.00 0.00 36.38 32.50 1xwe s VAL 1594CO -0.06 -0.10 1.42 -0.75 0.00 0.00 0.00 175.10 175.61 1xwe s LYS 1595N -2.82 4.27 -1.34 2.72 2.20 -1.26 -2.61 119.74 120.90 1xwe s LYS 1595Ca 0.62 2.30 -0.03 0.00 -0.36 0.00 0.00 55.97 58.51 1xwe s LYS 1595Cb -0.20 -3.09 0.00 0.00 -1.51 0.00 0.00 37.83 33.03 1xwe s LYS 1595CO 0.25 -0.39 0.34 0.41 -0.36 0.00 0.00 175.35 175.60 1xwe n GLY 1596N 1.87 -0.32 3.66 5.54 0.00 -0.93 -5.01 105.19 110.00 1xwe n GLY 1596Ca 0.05 -0.08 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 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 -5.28 2.45 -0.12 1.61 6.06 -1.07 -4.86 118.95 117.74 1xwe s ARG 1597Ca 0.17 -0.88 -0.19 0.00 -2.50 0.00 0.00 55.73 52.33 1xwe s ARG 1597Cb -0.07 -2.48 -0.04 0.00 0.06 0.00 0.00 34.95 32.41 1xwe s ARG 1597CO 0.21 0.53 0.51 -0.65 -2.50 0.00 0.00 175.30 173.40 1xwe s GLN 1598N -2.26 4.34 0.04 5.12 -0.21 -1.26 -1.58 119.66 123.85 1xwe s GLN 1598Ca 0.24 0.51 0.02 0.00 0.02 0.00 0.00 55.36 56.15 1xwe s GLN 1598Cb -0.12 -3.45 -0.02 0.00 1.00 0.00 0.00 33.01 30.42 1xwe s GLN 1598CO 0.17 0.11 -0.08 0.71 -2.12 0.00 0.00 175.29 174.08 1xwe s TYR 1599N 0.75 0.68 -0.18 0.91 2.02 -0.97 -2.10 117.35 118.47 1xwe s TYR 1599Ca 0.27 -0.50 -0.11 0.00 -0.37 0.00 0.00 57.07 56.37 1xwe s TYR 1599Cb -0.15 -0.41 -0.05 0.00 -0.40 0.00 0.00 41.96 40.95 1xwe s TYR 1599CO 0.11 -0.08 0.18 -1.17 -1.57 0.00 0.00 175.55 173.02 1xwe s LEU 1600N -1.58 4.25 -0.09 -1.29 0.20 -0.20 -2.19 118.68 117.77 1xwe s LEU 1600Ca -0.10 0.35 0.03 0.00 0.69 0.00 0.00 54.13 55.10 1xwe s LEU 1600Cb -0.10 -2.18 0.01 0.00 -0.43 0.00 0.00 46.19 43.49 1xwe s LEU 1600CO 0.00 0.19 -0.17 -0.63 -0.29 0.00 0.00 176.35 175.45 1xwe s ILE 1601N 0.20 1.54 -0.20 6.68 1.01 -0.96 -2.00 121.20 127.47 1xwe s ILE 1601Ca 0.11 -0.70 -0.04 0.00 0.00 0.00 0.00 60.65 60.02 1xwe s ILE 1601Cb -0.12 -1.38 0.10 0.00 0.01 0.00 0.00 42.46 41.07 1xwe s ILE 1601CO 0.01 0.45 0.30 -0.04 0.00 0.00 0.00 174.94 175.65 1xwe s MET 1602N 0.66 0.24 -0.07 2.79 -1.94 -0.67 -1.91 119.30 118.41 1xwe s MET 1602Ca -0.13 0.53 -0.30 0.00 -1.71 0.00 0.00 55.69 54.07 1xwe s MET 1602Cb -0.16 -0.53 0.10 0.00 2.01 0.00 0.00 34.83 36.25 1xwe s MET 1602CO 0.04 -0.52 1.34 0.20 -0.01 0.00 0.00 175.02 176.07 1xwe s GLY 1603N 2.45 -0.18 0.89 -0.03 0.00 -0.87 -1.24 107.32 108.34 1xwe s GLY 1603Ca 0.07 0.10 -0.13 0.00 0.00 0.00 0.00 44.72 44.76 1xwe s GLY 1603CO -0.12 6.61 0.73 1.17 0.00 0.00 0.00 173.10 181.49 1xwe n LYS 1604N -0.97 -0.17 -0.39 2.90 3.00 -0.97 -0.83 118.16 120.73 1xwe n LYS 1604Ca 0.06 0.01 -0.30 0.00 -0.00 0.00 0.00 58.31 58.08 1xwe n LYS 1604Cb 0.58 -2.07 0.28 0.00 0.00 0.00 0.00 35.03 33.82 1xwe n LYS 1604CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 1xwe s GLU 1605N -3.82 -2.42 0.41 1.64 -1.05 -1.26 -4.59 118.70 107.61 1xwe s GLU 1605Ca 0.63 0.37 -0.07 0.00 -0.15 0.00 0.00 54.97 55.75 1xwe s GLU 1605Cb -0.25 -1.42 0.10 0.00 -0.44 0.00 0.00 34.13 32.13 1xwe s GLU 1605CO 0.61 -4.60 0.40 0.00 0.95 0.00 0.00 175.26 172.62 1xwe n ALA 1606N -5.47 -1.06 -3.82 -0.84 0.00 -1.26 -4.98 120.51 103.08 1xwe n ALA 1606Ca 0.09 -0.58 -0.27 0.00 0.00 0.00 0.00 53.44 52.68 1xwe n ALA 1606Cb 0.58 -0.04 -0.17 0.00 0.00 0.00 0.00 19.45 19.83 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 1.32 0.09 0.00 1.43 -1.13 -4.96 118.68 115.44 1xwe s LEU 1607Ca 0.25 -0.62 -0.26 0.00 -1.03 0.00 0.00 54.13 52.47 1xwe s LEU 1607Cb -0.02 -0.74 -0.06 0.00 0.03 0.00 0.00 46.19 45.40 1xwe s LEU 1607CO 0.19 -0.22 0.81 0.00 0.23 0.00 0.00 176.35 177.36 1xwe s GLN 1608N 1.76 4.56 -0.00 1.70 1.03 -1.24 -3.74 119.66 123.72 1xwe s GLN 1608Ca 0.01 1.17 0.00 0.00 0.04 0.00 0.00 55.36 56.58 1xwe s GLN 1608Cb -0.15 -3.34 0.00 0.00 0.03 0.00 0.00 33.01 29.55 1xwe s GLN 1608CO -0.07 0.34 0.34 1.51 -2.54 0.00 0.00 175.29 174.87 1xwe n ILE 1609N 2.49 0.00 0.00 3.63 3.06 -1.17 -4.75 119.36 122.62 1xwe n ILE 1609Ca -0.02 -0.01 0.00 0.00 -2.50 0.00 0.00 62.75 60.22 1xwe n ILE 1609Cb 0.50 0.33 0.00 0.00 0.54 0.00 0.00 39.64 41.00 1xwe n ILE 1609CO 0.00 0.00 0.00 1.17 -2.50 0.00 0.00 176.55 175.22 1xwe n LYS 1610N -0.02 0.00 -3.15 9.51 4.81 -1.26 -4.53 118.16 123.52 1xwe n LYS 1610Ca -0.00 0.85 -0.06 0.00 -0.87 0.00 0.00 58.31 58.23 1xwe n LYS 1610Cb 0.42 -1.43 -0.03 0.00 0.02 0.00 0.00 35.03 34.01 1xwe n LYS 1610CO 0.00 0.00 0.00 -0.47 1.17 0.00 0.00 177.40 178.10 1xwe s TYR 1611N -2.72 -1.19 0.00 5.64 5.04 -1.24 -4.87 117.35 118.01 1xwe s TYR 1611Ca 0.00 -0.36 0.00 0.00 -2.44 0.00 0.00 57.07 54.27 1xwe s TYR 1611Cb 0.00 0.07 0.00 0.00 0.35 0.00 0.00 41.96 42.38 1xwe s TYR 1611CO 0.00 -1.13 0.00 -1.71 -1.34 0.00 0.00 175.55 171.37 1xwe n ASN 1612N 3.93 0.00 0.39 4.32 5.15 -1.26 -2.27 115.26 125.53 1xwe n ASN 1612Ca 0.14 0.00 -0.17 0.00 -0.60 0.00 0.00 54.58 53.95 1xwe n ASN 1612Cb 0.53 0.00 -0.08 0.00 -0.53 0.00 0.00 39.78 39.70 1xwe n ASN 1612CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1xwe h ALA 1613N -0.53 -1.25 -3.18 5.20 0.00 -1.98 -3.44 119.26 114.08 1xwe h ALA 1613Ca 0.00 -0.23 -0.38 0.00 0.00 0.00 0.00 54.91 54.31 1xwe h ALA 1613Cb 0.00 0.51 0.21 0.00 0.00 0.00 0.00 17.79 18.50 1xwe h ALA 1613CO 0.00 -1.20 -0.03 0.45 0.00 0.00 0.00 179.25 178.48 1xwe n SER 1614N -5.06 -3.12 -3.73 0.00 2.88 -0.96 -5.03 113.62 98.60 1xwe n SER 1614Ca -0.13 -1.02 -0.12 0.00 -1.33 0.00 0.00 58.87 56.27 1xwe n SER 1614Cb 0.43 -1.00 -0.11 0.00 -0.75 0.00 0.00 64.21 62.79 1xwe n SER 1614CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 1xwe s PHE 1615N -2.54 -0.44 -0.19 0.66 -0.12 -1.26 -3.72 117.98 110.36 1xwe s PHE 1615Ca 0.69 1.01 0.00 0.00 -0.05 0.00 0.00 56.93 58.58 1xwe s PHE 1615Cb -0.09 0.16 0.02 0.00 -0.63 0.00 0.00 43.02 42.47 1xwe s PHE 1615CO 0.55 -0.25 -0.17 0.50 -0.05 0.00 0.00 175.22 175.81 1xwe s ARG 1616N 0.84 3.03 -0.69 1.99 3.52 -1.26 -4.49 118.95 121.88 1xwe s ARG 1616Ca -0.05 -0.81 -0.23 0.00 -0.13 0.00 0.00 55.73 54.51 1xwe s ARG 1616Cb -0.06 -2.66 0.07 0.00 -1.56 0.00 0.00 34.95 30.74 1xwe s ARG 1616CO -0.06 -0.22 1.01 0.71 -0.81 0.00 0.00 175.30 175.93 1xwe s TYR 1617N 1.32 2.68 0.16 5.12 1.51 -1.26 -3.03 117.35 123.84 1xwe s TYR 1617Ca 0.05 -0.59 0.11 0.00 -1.01 0.00 0.00 57.07 55.63 1xwe s TYR 1617Cb -0.13 -4.32 -0.04 0.00 -0.11 0.00 0.00 41.96 37.35 1xwe s TYR 1617CO -0.11 -1.67 -0.26 0.96 -1.11 0.00 0.00 175.55 173.36 1xwe s ILE 1618N 4.08 2.29 -0.30 2.71 -5.25 -1.25 -4.89 121.20 118.60 1xwe s ILE 1618Ca 0.24 -1.87 -0.12 0.00 -0.99 0.00 0.00 60.65 57.91 1xwe s ILE 1618Cb -0.15 -2.05 -0.04 0.00 2.95 0.00 0.00 42.46 43.17 1xwe s ILE 1618CO 0.08 0.00 0.23 -0.31 -1.79 0.00 0.00 174.94 173.15 1xwe s TYR 1619N -1.31 3.22 0.73 1.37 1.51 -0.32 -2.83 117.35 119.72 1xwe s TYR 1619Ca 0.17 0.06 -0.09 0.00 -1.01 0.00 0.00 57.07 56.20 1xwe s TYR 1619Cb -0.09 -2.43 0.16 0.00 -0.11 0.00 0.00 41.96 39.49 1xwe s TYR 1619CO 0.08 -0.22 0.99 -0.35 -1.11 0.00 0.00 175.55 174.93 1xwe n PRO 1620N 5.11 -0.66 -3.60 -1.71 -0.04 -1.26 -1.98 135.00 130.85 1xwe n PRO 1620Ca -0.13 -1.90 -0.29 0.00 -0.04 0.00 0.00 63.50 61.14 1xwe n PRO 1620Cb 0.51 -0.91 -0.14 0.00 -0.04 0.00 0.00 33.50 32.93 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 1.55 0.54 1.53 1.43 -1.21 -4.68 118.68 117.82 1xwe s LEU 1621Ca 0.59 -1.90 0.02 0.00 -1.03 0.00 0.00 54.13 51.81 1xwe s LEU 1621Cb -0.02 -0.64 0.01 0.00 0.03 0.00 0.00 46.19 45.57 1xwe s LEU 1621CO 0.41 -0.36 0.13 -1.81 0.23 0.00 0.00 176.35 174.95 1xwe s ASP 1622N 1.33 4.31 0.00 2.29 1.01 -1.17 -4.44 116.67 120.00 1xwe s ASP 1622Ca 0.13 -1.56 0.23 0.00 0.71 0.00 0.00 52.55 52.06 1xwe s ASP 1622Cb -0.20 0.61 1.37 0.00 1.01 0.00 0.00 42.92 45.71 1xwe s ASP 1622CO -0.15 -0.99 1.75 -0.24 0.21 0.00 0.00 175.17 175.75 1xwe n SER 1623N -1.46 0.00 -0.03 0.27 2.88 -1.25 -2.70 113.62 111.32 1xwe n SER 1623Ca -0.15 -0.69 -0.14 0.00 -1.33 0.00 0.00 58.87 56.57 1xwe n SER 1623Cb 0.66 -0.02 -0.14 0.00 -0.75 0.00 0.00 64.21 63.96 1xwe n SER 1623CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1xwe n LEU 1624N -1.02 1.50 -4.68 2.46 -0.00 -1.26 -4.82 117.00 109.19 1xwe n LEU 1624Ca 0.17 0.24 -0.46 0.00 -0.00 0.00 0.00 56.01 55.96 1xwe n LEU 1624Cb 0.09 -0.29 -0.04 0.00 -0.00 0.00 0.00 43.42 43.17 1xwe n LEU 1624CO 0.13 0.60 1.38 0.41 -0.00 0.00 0.00 177.39 179.91 1xwe n THR 1625N -3.16 0.32 -3.05 1.47 -1.04 -1.10 -4.86 114.28 102.86 1xwe n THR 1625Ca -0.27 -0.06 -0.43 0.00 -2.04 0.00 0.00 64.05 61.25 1xwe n THR 1625Cb 1.06 -1.80 -0.06 0.00 -1.82 0.00 0.00 70.33 67.71 1xwe n THR 1625CO 0.00 0.00 0.00 0.86 -0.64 0.00 0.00 175.07 175.29 1xwe s TRP 1626N 2.61 2.99 -0.15 -1.42 -0.11 -0.37 -4.92 118.94 117.57 1xwe s TRP 1626Ca 0.85 -0.18 -0.00 0.00 1.22 0.00 0.00 56.10 57.99 1xwe s TRP 1626Cb -0.64 -3.60 -0.01 0.00 -1.50 0.00 0.00 33.47 27.72 1xwe s TRP 1626CO 0.43 -1.04 -0.14 0.42 -4.62 0.00 0.00 176.95 172.01 1xwe s ILE 1627N 3.05 2.88 -0.16 5.86 1.09 -1.25 -1.67 121.20 131.00 1xwe s ILE 1627Ca 0.23 -0.71 -0.01 0.00 -1.10 0.00 0.00 60.65 59.06 1xwe s ILE 1627Cb -0.15 -2.22 0.04 0.00 -1.06 0.00 0.00 42.46 39.07 1xwe s ILE 1627CO 0.17 0.51 -0.01 -0.70 -0.10 0.00 0.00 174.94 174.81 1xwe s GLU 1628N 0.65 1.02 0.00 2.79 2.12 -0.85 -3.97 118.70 120.46 1xwe s GLU 1628Ca -0.07 -0.36 -0.32 0.00 0.36 0.00 0.00 54.97 54.58 1xwe s GLU 1628Cb -0.16 -1.83 -0.10 0.00 0.26 0.00 0.00 34.13 32.30 1xwe s GLU 1628CO 0.02 -0.47 1.92 0.98 -0.54 0.00 0.00 175.26 177.17 1xwe n TYR 1629N 4.98 2.45 -3.30 5.30 9.36 -1.26 -1.04 117.16 133.65 1xwe n TYR 1629Ca -0.10 -0.20 -0.45 0.00 3.32 0.00 0.00 57.90 60.47 1xwe n TYR 1629Cb 0.48 -2.74 -0.06 0.00 -0.63 0.00 0.00 39.34 36.39 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 4.05 3.20 -0.72 2.98 -0.11 -0.89 -4.92 118.94 122.53 1xwe s TRP 1630Ca 0.89 -1.05 -0.27 0.00 1.22 0.00 0.00 56.10 56.89 1xwe s TRP 1630Cb -0.54 -3.57 -0.14 0.00 -1.50 0.00 0.00 33.47 27.71 1xwe s TRP 1630CO 0.45 -0.97 2.51 -0.35 -4.62 0.00 0.00 176.95 173.97 1xwe n PRO 1631N 5.44 0.59 0.28 5.86 -0.04 -1.26 -4.46 135.00 141.41 1xwe n PRO 1631Ca -0.12 -0.07 0.12 0.00 -0.04 0.00 0.00 63.50 63.40 1xwe n PRO 1631Cb 0.42 -2.66 0.79 0.00 -0.04 0.00 0.00 33.50 32.01 1xwe n PRO 1631CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 1xwe h ARG 1632N 16.07 0.00 -6.03 0.54 2.43 -1.95 -3.41 114.38 122.03 1xwe h ARG 1632Ca -0.14 0.00 -0.56 0.00 -0.81 0.00 0.00 59.98 58.46 1xwe h ARG 1632Cb 1.26 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.75 1xwe h ARG 1632CO 1.25 0.05 0.01 -0.51 -1.51 0.00 0.00 179.97 179.26 1xwe s ASP 1633N -6.39 6.95 0.00 -3.80 1.11 -1.26 -4.92 116.67 108.37 1xwe s ASP 1633Ca -0.04 1.14 0.00 0.00 0.18 0.00 0.00 52.55 53.83 1xwe s ASP 1633Cb 0.15 -2.38 0.00 0.00 1.07 0.00 0.00 42.92 41.77 1xwe s ASP 1633CO 0.59 0.02 0.16 0.35 1.18 0.00 0.00 175.17 177.47 1xwe n THR 1634N 3.18 0.02 1.41 -1.27 -2.24 -1.26 -4.75 114.28 109.37 1xwe n THR 1634Ca -0.05 -0.13 0.14 0.00 -2.27 0.00 0.00 64.05 61.74 1xwe n THR 1634Cb 0.51 1.68 0.48 0.00 -2.10 0.00 0.00 70.33 70.91 1xwe n THR 1634CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1xwe n THR 1635N -0.01 0.00 0.36 4.28 5.66 -1.26 -3.85 114.28 119.46 1xwe n THR 1635Ca 0.00 -0.19 0.13 0.00 -3.05 0.00 0.00 64.05 60.94 1xwe n THR 1635Cb 0.21 0.41 0.55 0.00 -1.55 0.00 0.00 70.33 69.96 1xwe n THR 1635CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1xwe n SER 1637N -2.45 -3.09 0.00 0.00 3.41 -1.25 -4.55 113.62 105.69 1xwe n SER 1637Ca 0.02 0.25 0.00 0.00 -0.26 0.00 0.00 58.87 58.88 1xwe n SER 1637Cb 0.24 -2.84 0.00 0.00 -0.26 0.00 0.00 64.21 61.35 1xwe n SER 1637CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1xwe n SER 1638N -0.83 0.45 -0.99 4.04 2.88 -1.26 -4.82 113.62 113.09 1xwe n SER 1638Ca -0.11 0.00 0.10 0.00 -1.33 0.00 0.00 58.87 57.53 1xwe n SER 1638Cb 0.45 0.02 0.18 0.00 -0.75 0.00 0.00 64.21 64.11 1xwe n SER 1638CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1xwe h GLN 1640N 3.87 0.00 -0.00 0.00 4.15 -1.86 -2.83 115.11 118.44 1xwe h GLN 1640Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1xwe h GLN 1640Cb 0.89 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.58 1xwe h GLN 1640CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 178.83 176.90 1xwe h ALA 1641N 2.03 1.07 0.02 3.38 0.00 -1.95 -0.37 119.26 123.44 1xwe h ALA 1641Ca 0.00 -0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.69 1xwe h ALA 1641Cb 0.49 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1xwe h ALA 1641CO 0.00 -0.00 -1.04 0.35 0.00 0.00 0.00 179.25 178.55 1xwe h PHE 1642N 0.00 0.08 0.00 0.00 3.57 -1.84 -3.18 116.94 115.56 1xwe h PHE 1642Ca 0.00 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.44 1xwe h PHE 1642Cb 0.01 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.75 1xwe h PHE 1642CO 0.00 1.04 0.00 1.28 -2.23 0.00 0.00 178.31 178.40 1xwe n LEU 1643N -3.38 0.76 -0.11 0.59 7.99 -0.16 -3.20 117.00 119.49 1xwe n LEU 1643Ca -0.01 0.63 -0.11 0.00 -0.01 0.00 0.00 56.01 56.50 1xwe n LEU 1643Cb 0.95 -0.46 -0.03 0.00 -0.11 0.00 0.00 43.42 43.77 1xwe n LEU 1643CO 0.48 -0.41 0.71 0.00 -1.51 0.00 0.00 177.39 176.66 1xwe h ALA 1644N 2.36 0.44 0.00 -1.18 0.00 -1.50 -1.78 119.26 117.60 1xwe h ALA 1644Ca 0.00 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 1xwe h ALA 1644Cb 0.53 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1xwe h ALA 1644CO 0.00 0.28 -0.10 -0.91 0.00 0.00 0.00 179.25 178.53 1xwe h ASN 1645N 0.40 0.00 1.22 0.00 2.35 -1.70 -2.94 115.58 114.91 1xwe h ASN 1645Ca 0.08 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.67 1xwe h ASN 1645Cb 0.58 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.93 1xwe h ASN 1645CO 0.03 0.10 -0.77 -0.07 -1.65 0.00 0.00 177.43 175.07 1xwe h LEU 1646N 0.00 0.00 -1.29 1.61 3.38 -1.52 -3.22 115.31 114.28 1xwe h LEU 1646Ca -0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 1xwe h LEU 1646Cb 0.75 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 1xwe h LEU 1646CO 0.01 0.77 -0.34 -0.78 0.09 0.00 0.00 178.44 178.19 1xwe h ASP 1647N 0.00 0.00 -0.04 -0.43 1.82 -1.14 -1.73 116.42 114.90 1xwe h ASP 1647Ca -0.01 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.63 1xwe h ASP 1647Cb 1.58 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.59 1xwe h ASP 1647CO 0.10 0.34 0.00 -0.62 -1.61 0.00 0.00 179.24 177.45 1xwe n GLU 1648N -3.89 1.31 -0.00 0.28 -0.58 -1.21 -3.40 120.64 113.14 1xwe n GLU 1648Ca -0.02 -0.46 0.04 0.00 -0.42 0.00 0.00 57.16 56.30 1xwe n GLU 1648Cb 0.40 -1.41 -0.06 0.00 -0.57 0.00 0.00 31.44 29.81 1xwe n GLU 1648CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1xwe n PHE 1649N -0.38 0.00 0.02 -0.32 7.35 -0.71 -4.26 117.46 119.17 1xwe n PHE 1649Ca 0.18 0.00 -0.02 0.00 -0.76 0.00 0.00 57.45 56.85 1xwe n PHE 1649Cb 0.20 -0.16 -0.01 0.00 0.35 0.00 0.00 39.48 39.86 1xwe n PHE 1649CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1xwe h ALA 1650N 0.65 -0.20 -0.28 3.13 0.00 -1.41 -3.25 119.26 117.90 1xwe h ALA 1650Ca -0.00 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1xwe h ALA 1650Cb 0.34 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1xwe h ALA 1650CO 0.00 -0.19 0.05 1.05 0.00 0.00 0.00 179.25 180.16 1xwe h GLU 1651N -0.55 0.41 0.00 0.00 4.11 -1.86 -2.29 114.58 114.39 1xwe h GLU 1651Ca -0.01 -0.06 0.00 0.00 0.07 0.00 0.00 59.36 59.36 1xwe h GLU 1651Cb 0.09 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1xwe h GLU 1651CO 0.02 0.40 0.00 -3.47 0.07 0.00 0.00 179.01 176.03 1xwe n ASP 1652N -4.36 0.00 0.13 3.06 2.03 -1.26 0.85 116.55 117.00 1xwe n ASP 1652Ca 0.01 0.77 0.15 0.00 0.52 0.00 0.00 54.79 56.23 1xwe n ASP 1652Cb 0.18 -0.27 0.69 0.00 -0.72 0.00 0.00 41.12 41.00 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 0.82 0.00 5.18 6.09 -1.61 0.23 117.51 128.21 1xwe h ILE 1653Ca 0.00 0.00 -0.12 0.00 -1.37 0.00 0.00 64.86 63.37 1xwe h ILE 1653Cb 0.00 0.86 -0.02 0.00 0.47 0.00 0.00 36.82 38.13 1xwe h ILE 1653CO 0.00 0.00 -0.57 0.15 -3.07 0.00 0.00 178.15 174.66 1xwe h PHE 1654N 0.00 0.00 0.00 2.19 3.04 -1.05 -3.30 116.94 117.81 1xwe h PHE 1654Ca 0.13 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.08 1xwe h PHE 1654Cb 0.52 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.03 1xwe h PHE 1654CO 0.00 0.57 0.00 1.28 -2.02 0.00 0.00 178.31 178.14 1xwe n LEU 1655N -3.83 0.00 0.02 0.59 4.77 0.25 -4.90 117.00 113.90 1xwe n LEU 1655Ca -0.01 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.90 1xwe n LEU 1655Cb 0.58 -0.18 -0.05 0.00 -2.33 0.00 0.00 43.42 41.44 1xwe n LEU 1655CO 0.41 -0.22 0.21 -0.55 -1.33 0.00 0.00 177.39 175.91 1xwe h ASN 1656N 0.00 -0.13 0.00 -1.43 7.08 -0.82 -3.49 115.58 116.79 1xwe h ASN 1656Ca 0.00 -0.26 0.00 0.00 -3.08 0.00 0.00 56.30 52.96 1xwe h ASN 1656Cb 0.00 0.03 0.00 0.00 -2.08 0.00 0.00 38.32 36.27 1xwe h ASN 1656CO 0.00 0.46 0.00 0.61 -2.08 0.00 0.00 177.43 176.42 1xwe n GLY 1657N 1.19 2.30 0.00 9.14 0.00 -0.02 -4.93 105.19 112.86 1xwe n GLY 1657Ca -0.05 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.46 1xwe n GLY 1657CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32