#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 2.57 -4.19 1.61 3.41 -1.26 -4.95 113.62 110.81 1xwe n SER 1509Ca 0.00 -1.79 -0.11 0.00 -0.26 0.00 0.00 58.87 56.70 1xwe n SER 1509Cb 0.00 0.17 -0.10 0.00 -0.26 0.00 0.00 64.21 64.02 1xwe n SER 1509CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 1xwe s HIS 1510N -2.17 0.99 0.03 7.33 0.00 -1.26 -5.17 115.29 115.04 1xwe s HIS 1510Ca 0.25 -0.96 -0.09 0.00 -3.00 0.00 0.00 55.06 51.27 1xwe s HIS 1510Cb 0.19 -0.57 0.00 0.00 -4.00 0.00 0.00 32.58 28.21 1xwe s HIS 1510CO 0.40 -0.18 0.17 0.00 -1.00 0.00 0.00 174.74 174.13 1xwe s MET 1511N -3.87 0.64 0.46 -0.38 0.00 -1.26 -5.11 119.30 109.78 1xwe s MET 1511Ca 0.16 -0.60 0.04 0.00 0.00 0.00 0.00 55.69 55.29 1xwe s MET 1511Cb 0.06 0.26 -0.04 0.00 0.00 0.00 0.00 34.83 35.11 1xwe s MET 1511CO -0.02 -0.18 0.01 0.00 0.00 0.00 0.00 175.02 174.84 1xwe s ALA 1512N -2.35 3.63 -0.55 3.16 0.00 -1.26 -5.04 121.76 119.34 1xwe s ALA 1512Ca -0.07 -1.30 0.01 0.00 0.00 0.00 0.00 51.96 50.61 1xwe s ALA 1512Cb -0.02 0.12 0.56 0.00 0.00 0.00 0.00 23.12 23.77 1xwe s ALA 1512CO -0.03 -0.08 1.97 -0.40 0.00 0.00 0.00 175.76 177.23 1xwe n ASP 1513N -1.12 5.69 -4.70 0.00 5.75 -1.26 -4.58 116.55 116.32 1xwe n ASP 1513Ca -0.12 -3.68 -0.57 0.00 -0.01 0.00 0.00 54.79 50.40 1xwe n ASP 1513Cb 0.67 -0.91 -0.07 0.00 -1.03 0.00 0.00 41.12 39.78 1xwe n ASP 1513CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1xwe n GLY 1515N 4.09 0.36 3.48 0.00 0.00 -0.96 -4.55 105.19 107.60 1xwe n GLY 1515Ca 0.26 -0.55 -0.32 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.58 -0.36 -4.18 1.61 -0.00 0.10 -4.53 117.38 108.44 1xwe n GLN 1516Ca -0.03 -0.06 -0.17 0.00 -0.00 0.00 0.00 57.00 56.74 1xwe n GLN 1516Cb 0.53 -1.99 -0.15 0.00 -0.00 0.00 0.00 30.24 28.64 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 -3.89 0.50 1.18 2.61 0.23 -1.26 -4.52 119.30 114.14 1xwe s MET 1517Ca 0.59 -0.18 -0.19 0.00 -1.03 0.00 0.00 55.69 54.88 1xwe s MET 1517Cb -0.21 -0.50 0.28 0.00 -1.53 0.00 0.00 34.83 32.87 1xwe s MET 1517CO 0.65 0.09 1.14 -0.65 -2.03 0.00 0.00 175.02 174.23 1xwe s GLN 1518N 0.02 -1.03 0.72 3.16 -1.52 -1.18 -4.99 119.66 114.85 1xwe s GLN 1518Ca 0.00 -0.14 -0.16 0.00 -1.95 0.00 0.00 55.36 53.11 1xwe s GLN 1518Cb -0.04 -1.63 0.03 0.00 -0.22 0.00 0.00 33.01 31.15 1xwe s GLN 1518CO -0.00 -3.57 1.22 -1.21 -0.25 0.00 0.00 175.29 171.48 1xwe s GLU 1519N -5.50 2.21 0.23 2.91 2.02 -1.26 -4.85 118.70 114.45 1xwe s GLU 1519Ca 0.72 1.82 0.02 0.00 0.02 0.00 0.00 54.97 57.55 1xwe s GLU 1519Cb -0.08 -1.83 0.22 0.00 0.10 0.00 0.00 34.13 32.53 1xwe s GLU 1519CO 0.56 -1.80 1.55 1.49 0.02 0.00 0.00 175.26 177.08 1xwe h GLU 1520N -0.13 0.32 -2.18 1.61 4.81 -1.94 -3.42 114.58 113.65 1xwe h GLU 1520Ca -0.48 -0.21 -0.28 0.00 -0.13 0.00 0.00 59.36 58.25 1xwe h GLU 1520Cb 1.30 0.03 -0.33 0.00 0.63 0.00 0.00 28.75 30.38 1xwe h GLU 1520CO 0.50 0.81 -0.59 -0.51 -0.73 0.00 0.00 179.01 178.49 1xwe s LEU 1521N -8.05 -0.31 -0.06 1.64 1.43 -1.26 -4.81 118.68 107.25 1xwe s LEU 1521Ca -0.05 -0.36 -0.02 0.00 -1.03 0.00 0.00 54.13 52.67 1xwe s LEU 1521Cb 0.12 0.63 0.04 0.00 0.03 0.00 0.00 46.19 47.01 1xwe s LEU 1521CO 0.81 -0.35 0.12 1.51 0.23 0.00 0.00 176.35 178.67 1xwe s ASP 1522N 2.40 -0.02 -0.01 2.29 -4.77 -1.26 -5.01 116.67 110.28 1xwe s ASP 1522Ca 0.09 0.24 0.13 0.00 -3.30 0.00 0.00 52.55 49.71 1xwe s ASP 1522Cb -0.15 0.13 0.40 0.00 -1.09 0.00 0.00 42.92 42.21 1xwe s ASP 1522CO -0.23 -0.15 1.32 0.18 0.70 0.00 0.00 175.17 176.99 1xwe n LEU 1523N 4.26 2.52 0.00 2.11 4.77 -1.26 -3.99 117.00 125.41 1xwe n LEU 1523Ca -0.26 -1.26 0.12 0.00 -0.03 0.00 0.00 56.01 54.58 1xwe n LEU 1523Cb 0.51 -0.33 0.54 0.00 -2.33 0.00 0.00 43.42 41.82 1xwe n LEU 1523CO 0.18 0.58 0.90 0.35 -1.33 0.00 0.00 177.39 178.07 1xwe n THR 1524N 0.76 0.27 -4.57 -5.08 -2.24 -1.26 -4.70 114.28 97.47 1xwe n THR 1524Ca 0.15 0.07 -0.33 0.00 -2.27 0.00 0.00 64.05 61.67 1xwe n THR 1524Cb 0.42 -0.64 -0.13 0.00 -2.10 0.00 0.00 70.33 67.87 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 -2.95 3.44 0.48 2.28 1.01 -1.26 -5.11 121.20 119.09 1xwe s ILE 1525Ca 0.13 -0.52 0.07 0.00 0.00 0.00 0.00 60.65 60.33 1xwe s ILE 1525Cb 0.16 -2.48 0.07 0.00 0.01 0.00 0.00 42.46 40.22 1xwe s ILE 1525CO 0.45 0.51 0.57 -1.20 0.00 0.00 0.00 174.94 175.27 1xwe n SER 1526N 3.60 2.01 -0.26 3.58 7.64 -1.26 -5.01 113.62 123.91 1xwe n SER 1526Ca -0.18 -2.40 0.15 0.00 1.01 0.00 0.00 58.87 57.45 1xwe n SER 1526Cb 0.52 -0.26 0.71 0.00 -1.01 0.00 0.00 64.21 64.18 1xwe n SER 1526CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xwe n ALA 1527N -2.31 2.62 -0.09 -0.43 0.00 -1.26 -3.36 120.51 115.68 1xwe n ALA 1527Ca -0.13 -0.33 -0.18 0.00 0.00 0.00 0.00 53.44 52.81 1xwe n ALA 1527Cb 0.51 -1.32 -0.06 0.00 0.00 0.00 0.00 19.45 18.58 1xwe n ALA 1527CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1xwe n GLU 1528N -0.35 0.42 0.31 0.00 1.02 -1.26 -3.78 120.64 116.99 1xwe n GLU 1528Ca 0.21 0.18 0.21 0.00 -0.02 0.00 0.00 57.16 57.74 1xwe n GLU 1528Cb 0.24 -1.21 1.05 0.00 -0.02 0.00 0.00 31.44 31.49 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 -0.73 0.00 0.00 2.62 2.02 -1.98 -0.38 112.91 114.46 1xwe h THR 1529Ca -0.37 -0.12 -0.18 0.00 0.77 0.00 0.00 66.41 66.51 1xwe h THR 1529Cb 1.25 1.07 -0.03 0.00 -1.74 0.00 0.00 68.15 68.70 1xwe h THR 1529CO -0.22 0.00 -1.81 -1.14 0.37 0.00 0.00 175.52 172.72 1xwe n ARG 1530N -3.00 0.65 0.02 6.66 0.63 -1.21 -4.15 116.66 116.24 1xwe n ARG 1530Ca -0.02 0.06 -0.20 0.00 -0.92 0.00 0.00 57.85 56.77 1xwe n ARG 1530Cb 0.12 -1.66 -0.14 0.00 0.45 0.00 0.00 32.46 31.23 1xwe n ARG 1530CO 0.00 0.00 0.00 -0.22 -2.51 0.00 0.00 177.63 174.90 1xwe h LYS 1531N 0.00 0.24 -0.34 -0.14 3.11 -1.41 -3.15 116.57 114.88 1xwe h LYS 1531Ca -0.23 -0.40 0.10 0.00 -2.81 0.00 0.00 60.65 57.31 1xwe h LYS 1531Cb 1.62 0.15 -0.01 0.00 -1.00 0.00 0.00 32.23 32.99 1xwe h LYS 1531CO 0.03 1.19 0.35 1.96 -2.81 0.00 0.00 179.45 180.17 1xwe h GLN 1532N -0.47 0.00 0.08 1.90 1.08 -1.31 0.20 115.11 116.59 1xwe h GLN 1532Ca -0.17 0.00 -0.26 0.00 -1.45 0.00 0.00 58.65 56.77 1xwe h GLN 1532Cb 1.57 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.99 1xwe h GLN 1532CO 0.10 0.00 -1.25 1.15 -0.95 0.00 0.00 178.83 177.87 1xwe h THR 1533N 0.00 1.46 0.00 -0.54 2.02 -1.72 -3.20 112.91 110.92 1xwe h THR 1533Ca 0.16 -3.11 0.00 0.00 0.77 0.00 0.00 66.41 64.24 1xwe h THR 1533Cb 0.86 2.84 0.00 0.00 -1.74 0.00 0.00 68.15 70.11 1xwe h THR 1533CO -0.00 0.88 0.00 0.00 0.37 0.00 0.00 175.52 176.77 1xwe n ALA 1534N -2.50 1.65 -0.04 6.16 0.00 0.66 -2.23 120.51 124.20 1xwe n ALA 1534Ca -0.08 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1xwe n ALA 1534Cb 1.00 -1.23 -0.15 0.00 0.00 0.00 0.00 19.45 19.07 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 -2.97 2.06 0.14 0.00 1.02 -0.95 -4.87 119.74 114.17 1xwe s LYS 1536Ca -0.08 1.68 0.13 0.00 0.02 0.00 0.00 55.97 57.72 1xwe s LYS 1536Cb 0.10 -1.83 0.63 0.00 -0.52 0.00 0.00 37.83 36.21 1xwe s LYS 1536CO 0.86 -1.88 1.40 -0.35 -0.92 0.00 0.00 175.35 174.46 1xwe n PRO 1537N -2.91 0.08 0.25 -1.68 -0.04 -1.26 -1.67 135.00 127.76 1xwe n PRO 1537Ca 0.13 0.49 0.13 0.00 -0.04 0.00 0.00 63.50 64.21 1xwe n PRO 1537Cb 0.51 -1.71 0.61 0.00 -0.04 0.00 0.00 33.50 32.87 1xwe n PRO 1537CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1xwe h GLU 1538N 0.00 0.00 -4.88 0.54 4.39 -1.89 -3.40 114.58 109.34 1xwe h GLU 1538Ca 0.00 0.00 -0.67 0.00 0.34 0.00 0.00 59.36 59.03 1xwe h GLU 1538Cb 0.10 0.00 -0.36 0.00 -0.10 0.00 0.00 28.75 28.39 1xwe h GLU 1538CO 0.00 0.13 -0.79 0.42 -1.16 0.00 0.00 179.01 177.62 1xwe s ILE 1539N -3.79 2.33 -0.12 3.13 -1.09 -0.67 -2.70 121.20 118.30 1xwe s ILE 1539Ca -0.00 -1.48 -0.20 0.00 -2.23 0.00 0.00 60.65 56.74 1xwe s ILE 1539Cb 0.11 -2.32 -0.17 0.00 -1.58 0.00 0.00 42.46 38.49 1xwe s ILE 1539CO 0.59 0.03 0.56 0.00 -1.23 0.00 0.00 174.94 174.89 1xwe h ALA 1540N 7.84 -0.02 -2.85 9.38 0.00 -1.00 -3.44 119.26 129.18 1xwe h ALA 1540Ca -0.23 -0.33 -0.62 0.00 0.00 0.00 0.00 54.91 53.73 1xwe h ALA 1540Cb 1.06 0.01 -0.15 0.00 0.00 0.00 0.00 17.79 18.71 1xwe h ALA 1540CO 0.50 -0.03 -0.75 1.52 0.00 0.00 0.00 179.25 180.49 1xwe s TYR 1541N -2.14 2.49 -0.29 0.00 -0.85 -0.88 -4.47 117.35 111.21 1xwe s TYR 1541Ca -0.13 -0.28 -0.01 0.00 -0.52 0.00 0.00 57.07 56.13 1xwe s TYR 1541Cb -0.02 -1.19 0.13 0.00 0.38 0.00 0.00 41.96 41.26 1xwe s TYR 1541CO 0.47 0.55 0.26 0.00 -1.52 0.00 0.00 175.55 175.32 1xwe s ALA 1542N -1.89 -0.27 0.34 9.51 0.00 -0.89 -2.41 121.76 126.16 1xwe s ALA 1542Ca 0.25 -0.42 -0.04 0.00 0.00 0.00 0.00 51.96 51.75 1xwe s ALA 1542Cb -0.08 -1.70 0.02 0.00 0.00 0.00 0.00 23.12 21.36 1xwe s ALA 1542CO 0.14 -1.67 0.51 2.48 0.00 0.00 0.00 175.76 177.22 1xwe n TYR 1543N 5.30 -1.57 -5.06 0.00 0.18 -0.95 -0.69 117.16 114.37 1xwe n TYR 1543Ca -0.03 -2.12 -0.28 0.00 1.88 0.00 0.00 57.90 57.34 1xwe n TYR 1543Cb 0.46 0.59 -0.16 0.00 -0.38 0.00 0.00 39.34 39.84 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 -2.62 2.03 0.24 -3.48 2.20 -0.92 -2.04 119.74 115.15 1xwe s LYS 1544Ca 0.25 -0.76 0.03 0.00 -0.36 0.00 0.00 55.97 55.12 1xwe s LYS 1544Cb -0.02 -1.80 -0.01 0.00 -1.51 0.00 0.00 37.83 34.49 1xwe s LYS 1544CO 0.18 0.37 0.11 1.33 -0.36 0.00 0.00 175.35 176.97 1xwe n VAL 1545N 2.87 0.00 -3.72 4.02 0.24 -0.89 -1.18 118.33 119.67 1xwe n VAL 1545Ca -0.17 -1.48 -0.13 0.00 -2.04 0.00 0.00 64.34 60.52 1xwe n VAL 1545Cb 0.52 0.57 -0.14 0.00 -1.47 0.00 0.00 33.84 33.33 1xwe n VAL 1545CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1xwe s SER 1546N -2.53 -0.06 0.29 -1.34 0.15 -0.76 -1.94 113.70 107.52 1xwe s SER 1546Ca 0.15 0.46 -0.29 0.00 0.70 0.00 0.00 55.95 56.97 1xwe s SER 1546Cb 0.01 0.37 -0.10 0.00 -1.71 0.00 0.00 66.02 64.59 1xwe s SER 1546CO 0.11 -0.18 1.36 -0.63 1.20 0.00 0.00 173.24 175.10 1xwe s ILE 1547N 1.48 2.75 0.00 6.45 -1.09 -0.42 -2.16 121.20 128.20 1xwe s ILE 1547Ca -0.07 0.69 0.00 0.00 -2.23 0.00 0.00 60.65 59.04 1xwe s ILE 1547Cb -0.11 -3.44 0.00 0.00 -1.58 0.00 0.00 42.46 37.33 1xwe s ILE 1547CO -0.08 0.14 0.00 1.07 -1.23 0.00 0.00 174.94 174.84 1xwe n THR 1548N 1.54 0.00 -3.72 2.92 5.66 -1.09 -0.62 114.28 118.97 1xwe n THR 1548Ca 0.03 -0.05 -0.14 0.00 -3.05 0.00 0.00 64.05 60.85 1xwe n THR 1548Cb 0.41 0.39 -0.09 0.00 -1.55 0.00 0.00 70.33 69.49 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 -0.87 -0.39 -0.02 1.09 0.01 -0.15 -4.76 113.70 108.63 1xwe s SER 1549Ca 0.00 0.60 0.03 0.00 1.31 0.00 0.00 55.95 57.89 1xwe s SER 1549Cb 0.00 0.66 -0.00 0.00 0.21 0.00 0.00 66.02 66.88 1xwe s SER 1549CO 0.00 -0.30 -0.11 -0.63 0.41 0.00 0.00 173.24 172.61 1xwe s ILE 1550N -0.43 0.89 -0.20 1.44 1.01 -1.26 -1.48 121.20 121.17 1xwe s ILE 1550Ca -0.06 -0.46 -0.03 0.00 0.00 0.00 0.00 60.65 60.11 1xwe s ILE 1550Cb -0.03 -0.76 0.06 0.00 0.01 0.00 0.00 42.46 41.74 1xwe s ILE 1550CO 0.03 0.26 0.05 -0.89 0.00 0.00 0.00 174.94 174.39 1xwe s THR 1551N -0.08 0.44 -0.24 2.92 2.01 0.10 -4.98 115.64 115.81 1xwe s THR 1551Ca 0.01 -0.56 -0.15 0.00 0.31 0.00 0.00 61.69 61.30 1xwe s THR 1551Cb -0.06 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.40 1xwe s THR 1551CO 0.00 -0.27 0.35 -0.69 -0.69 0.00 0.00 174.62 173.33 1xwe s VAL 1552N 1.89 5.21 0.31 3.82 1.01 -1.26 -0.80 120.40 130.58 1xwe s VAL 1552Ca 0.00 0.57 0.07 0.00 0.00 0.00 0.00 61.98 62.63 1xwe s VAL 1552Cb -0.17 -3.68 -0.03 0.00 0.00 0.00 0.00 36.38 32.50 1xwe s VAL 1552CO -0.10 0.22 0.25 -0.70 0.00 0.00 0.00 175.10 174.76 1xwe s GLU 1553N 1.64 2.75 0.57 2.72 2.12 -0.74 -4.99 118.70 122.77 1xwe s GLU 1553Ca 0.15 -1.25 0.35 0.00 0.36 0.00 0.00 54.97 54.59 1xwe s GLU 1553Cb -0.15 -2.47 1.91 0.00 0.26 0.00 0.00 34.13 33.68 1xwe s GLU 1553CO 0.08 0.19 2.07 -0.91 -0.54 0.00 0.00 175.26 176.15 1xwe h ASN 1554N 1.35 0.00 0.00 -1.70 2.35 -2.03 -3.38 115.58 112.17 1xwe h ASN 1554Ca -0.46 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.29 1xwe h ASN 1554Cb 1.25 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.62 1xwe h ASN 1554CO 0.59 0.00 0.00 0.52 -1.65 0.00 0.00 177.43 176.89 1xwe n VAL 1555N -2.80 0.00 -2.08 2.81 0.31 -1.26 -4.97 118.33 110.33 1xwe n VAL 1555Ca -0.02 0.00 -0.28 0.00 -0.01 0.00 0.00 64.34 64.02 1xwe n VAL 1555Cb 0.13 -0.44 0.17 0.00 -0.91 0.00 0.00 33.84 32.79 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 -0.31 1.55 -0.17 3.52 0.08 -1.26 -2.19 117.98 119.22 1xwe s PHE 1556Ca 0.00 0.17 -0.03 0.00 0.12 0.00 0.00 56.93 57.19 1xwe s PHE 1556Cb 0.00 -3.88 0.05 0.00 -0.57 0.00 0.00 43.02 38.63 1xwe s PHE 1556CO 0.00 -2.46 0.05 0.08 -0.10 0.00 0.00 175.22 172.79 1xwe s VAL 1557N -3.73 0.29 -0.19 -0.44 1.01 -0.11 -1.80 120.40 115.43 1xwe s VAL 1557Ca 0.73 -0.31 -0.20 0.00 0.00 0.00 0.00 61.98 62.20 1xwe s VAL 1557Cb -0.04 -0.79 -0.03 0.00 0.00 0.00 0.00 36.38 35.52 1xwe s VAL 1557CO 0.51 -0.16 0.57 -0.54 0.00 0.00 0.00 175.10 175.49 1xwe s LYS 1558N 1.97 4.21 -0.26 2.72 3.01 0.02 -1.78 119.74 129.63 1xwe s LYS 1558Ca 0.01 0.52 -0.02 0.00 -1.01 0.00 0.00 55.97 55.47 1xwe s LYS 1558Cb -0.16 -3.56 0.03 0.00 -1.01 0.00 0.00 37.83 33.12 1xwe s LYS 1558CO -0.08 -0.18 -0.04 0.71 0.51 0.00 0.00 175.35 176.27 1xwe s TYR 1559N 1.72 3.09 -0.34 3.18 2.02 0.13 -0.72 117.35 126.44 1xwe s TYR 1559Ca 0.27 -1.52 -0.14 0.00 -0.37 0.00 0.00 57.07 55.31 1xwe s TYR 1559Cb -0.16 -2.08 -0.01 0.00 -0.40 0.00 0.00 41.96 39.31 1xwe s TYR 1559CO 0.10 -0.72 0.32 0.21 -1.57 0.00 0.00 175.55 173.90 1xwe s LYS 1560N 1.34 3.56 0.18 -0.62 2.47 -0.55 -1.59 119.74 124.53 1xwe s LYS 1560Ca -0.00 -0.47 0.01 0.00 -1.56 0.00 0.00 55.97 53.95 1xwe s LYS 1560Cb -0.17 -3.80 -0.05 0.00 -1.46 0.00 0.00 37.83 32.36 1xwe s LYS 1560CO -0.03 -0.49 0.03 0.00 0.16 0.00 0.00 175.35 175.02 1xwe s ALA 1561N 1.93 1.35 -0.08 3.13 0.00 -0.98 -0.97 121.76 126.14 1xwe s ALA 1561Ca 0.10 -1.63 0.02 0.00 0.00 0.00 0.00 51.96 50.45 1xwe s ALA 1561Cb -0.17 0.72 -0.02 0.00 0.00 0.00 0.00 23.12 23.65 1xwe s ALA 1561CO 0.11 -0.38 -0.15 0.99 0.00 0.00 0.00 175.76 176.33 1xwe s THR 1562N -3.75 2.93 0.20 0.00 2.01 -0.92 -2.61 115.64 113.50 1xwe s THR 1562Ca 0.27 -0.74 -0.30 0.00 0.31 0.00 0.00 61.69 61.23 1xwe s THR 1562Cb 0.07 -2.17 -0.09 0.00 0.01 0.00 0.00 72.50 70.32 1xwe s THR 1562CO 0.06 0.56 1.29 -0.22 -0.69 0.00 0.00 174.62 175.62 1xwe s LEU 1563N -0.24 4.42 -0.22 4.42 0.20 -0.98 -1.83 118.68 124.45 1xwe s LEU 1563Ca 0.01 2.37 -0.20 0.00 0.69 0.00 0.00 54.13 57.00 1xwe s LEU 1563Cb -0.13 -3.61 -0.17 0.00 -0.43 0.00 0.00 46.19 41.85 1xwe s LEU 1563CO 0.03 -0.50 0.09 0.18 -0.29 0.00 0.00 176.35 175.86 1xwe n LEU 1564N 2.61 1.88 -3.62 -0.68 4.32 -0.33 -2.86 117.00 118.31 1xwe n LEU 1564Ca 0.06 0.42 -0.12 0.00 -0.02 0.00 0.00 56.01 56.35 1xwe n LEU 1564Cb 0.43 -0.93 -0.07 0.00 -1.62 0.00 0.00 43.42 41.23 1xwe n LEU 1564CO 0.57 0.29 0.61 -0.62 -1.22 0.00 0.00 177.39 177.02 1xwe s ASP 1565N -6.91 -0.57 -0.26 -1.43 -1.08 -1.00 -4.25 116.67 101.16 1xwe s ASP 1565Ca -0.30 1.05 -0.12 0.00 -0.52 0.00 0.00 52.55 52.66 1xwe s ASP 1565Cb 0.07 1.04 -0.05 0.00 -1.46 0.00 0.00 42.92 42.53 1xwe s ASP 1565CO 0.55 -0.23 0.21 -0.63 0.52 0.00 0.00 175.17 175.60 1xwe s ILE 1566N 0.12 5.30 -0.18 4.11 1.01 -1.26 -2.16 121.20 128.13 1xwe s ILE 1566Ca 0.01 0.25 0.22 0.00 0.00 0.00 0.00 60.65 61.13 1xwe s ILE 1566Cb -0.04 -3.55 -0.13 0.00 0.01 0.00 0.00 42.46 38.75 1xwe s ILE 1566CO -0.02 0.27 0.85 -1.22 0.00 0.00 0.00 174.94 174.82 1xwe n TYR 1567N 4.80 0.59 -3.39 3.97 4.02 -0.43 -4.81 117.16 121.91 1xwe n TYR 1567Ca -0.13 0.17 -0.11 0.00 -0.01 0.00 0.00 57.90 57.82 1xwe n TYR 1567Cb 0.52 -0.77 -0.09 0.00 -0.02 0.00 0.00 39.34 38.97 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 -3.41 0.31 0.40 -0.72 2.36 0.13 -4.41 119.74 114.39 1xwe s LYS 1568Ca -0.03 0.46 -0.22 0.00 -2.55 0.00 0.00 55.97 53.63 1xwe s LYS 1568Cb 0.11 -0.65 -0.14 0.00 -1.05 0.00 0.00 37.83 36.10 1xwe s LYS 1568CO 0.83 -0.64 0.39 2.41 1.55 0.00 0.00 175.35 179.90 1xwe n THR 1569N 5.35 1.41 -4.09 3.43 -1.04 -1.26 -2.09 114.28 116.00 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 -0.32 -0.09 0.00 -1.82 0.00 0.00 70.33 68.60 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 -0.97 1.95 0.52 3.41 0.00 -1.26 -4.25 107.32 106.71 1xwe s GLY 1570Ca 0.62 -0.74 0.21 0.00 0.00 0.00 0.00 44.72 44.81 1xwe s GLY 1570CO 0.60 -0.23 2.05 0.83 0.00 0.00 0.00 173.10 176.35 1xwe h GLU 1571N 5.85 0.04 -2.57 2.90 4.39 -1.93 -2.58 114.58 120.68 1xwe h GLU 1571Ca -0.45 -0.00 -0.59 0.00 0.34 0.00 0.00 59.36 58.66 1xwe h GLU 1571Cb 1.19 -0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 29.76 1xwe h GLU 1571CO 0.63 0.02 2.19 0.00 -1.16 0.00 0.00 179.01 180.70 1xwe n ALA 1572N -2.59 6.97 -3.53 3.43 0.00 -1.26 -4.77 120.51 118.75 1xwe n ALA 1572Ca 0.05 -3.37 -0.31 0.00 0.00 0.00 0.00 53.44 49.81 1xwe n ALA 1572Cb 0.40 -2.83 0.02 0.00 0.00 0.00 0.00 19.45 17.04 1xwe n ALA 1572CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1xwe n VAL 1573N 2.39 -3.30 -3.49 0.00 3.14 -1.05 -4.83 118.33 111.19 1xwe n VAL 1573Ca 0.63 0.03 -0.38 0.00 -2.96 0.00 0.00 64.34 61.67 1xwe n VAL 1573Cb 0.39 -2.99 -0.06 0.00 -1.06 0.00 0.00 33.84 30.13 1xwe n VAL 1573CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1xwe s ALA 1574N -2.10 3.66 0.01 1.55 0.00 -1.00 -4.97 121.76 118.90 1xwe s ALA 1574Ca 0.19 -0.26 0.00 0.00 0.00 0.00 0.00 51.96 51.89 1xwe s ALA 1574Cb -0.02 -2.41 -0.01 0.00 0.00 0.00 0.00 23.12 20.68 1xwe s ALA 1574CO 0.83 0.36 -0.01 -2.00 0.00 0.00 0.00 175.76 174.94 1xwe s GLU 1575N -0.59 0.12 0.16 0.00 2.56 -1.26 -4.56 118.70 115.12 1xwe s GLU 1575Ca 0.23 -0.23 -0.33 0.00 0.00 0.00 0.00 54.97 54.64 1xwe s GLU 1575Cb -0.16 0.04 -0.13 0.00 2.00 0.00 0.00 34.13 35.88 1xwe s GLU 1575CO 0.11 -0.02 1.67 1.63 -0.56 0.00 0.00 175.26 178.10 1xwe n LYS 1576N 2.53 2.44 -3.22 4.30 5.02 -1.26 -1.67 118.16 126.31 1xwe n LYS 1576Ca -0.16 0.88 -0.18 0.00 -2.02 0.00 0.00 58.31 56.82 1xwe n LYS 1576Cb 0.58 -2.69 0.05 0.00 -0.02 0.00 0.00 35.03 32.95 1xwe n LYS 1576CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1xwe n ASP 1577N 4.00 -5.37 -1.97 4.39 2.03 -1.14 -5.02 116.55 113.48 1xwe n ASP 1577Ca 0.17 -0.37 0.00 0.00 0.52 0.00 0.00 54.79 55.11 1xwe n ASP 1577Cb 0.32 -4.03 0.00 0.00 -0.72 0.00 0.00 41.12 36.68 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 -1.91 0.00 -4.46 1.67 2.88 -0.67 -4.70 113.62 106.43 1xwe n SER 1578Ca -0.02 -0.73 -0.33 0.00 -1.33 0.00 0.00 58.87 56.46 1xwe n SER 1578Cb 0.56 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.89 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 -1.60 3.58 0.04 -1.46 2.12 -1.26 -2.32 118.70 117.79 1xwe s GLU 1579Ca 0.00 -0.57 0.06 0.00 0.36 0.00 0.00 54.97 54.81 1xwe s GLU 1579Cb 0.00 -2.82 -0.02 0.00 0.26 0.00 0.00 34.13 31.55 1xwe s GLU 1579CO 0.00 0.23 -0.16 0.96 -0.54 0.00 0.00 175.26 175.75 1xwe s ILE 1580N 0.36 1.29 -0.29 -3.70 -4.36 -1.07 -4.97 121.20 108.45 1xwe s ILE 1580Ca -0.06 -1.03 -0.03 0.00 -0.26 0.00 0.00 60.65 59.26 1xwe s ILE 1580Cb -0.15 -1.14 0.10 0.00 1.25 0.00 0.00 42.46 42.52 1xwe s ILE 1580CO 0.04 0.09 0.11 -0.89 0.24 0.00 0.00 174.94 174.54 1xwe s THR 1581N -0.79 0.25 -0.25 8.37 2.01 -1.26 -2.31 115.64 121.66 1xwe s THR 1581Ca 0.04 -0.92 -0.17 0.00 0.31 0.00 0.00 61.69 60.95 1xwe s THR 1581Cb -0.08 -1.18 -0.03 0.00 0.01 0.00 0.00 72.50 71.22 1xwe s THR 1581CO 0.01 -0.67 0.47 -0.36 -0.69 0.00 0.00 174.62 173.39 1xwe s PHE 1582N 1.94 3.28 0.02 4.92 0.40 -0.62 -1.50 117.98 126.42 1xwe s PHE 1582Ca 0.08 0.60 0.04 0.00 -0.60 0.00 0.00 56.93 57.06 1xwe s PHE 1582Cb -0.16 -2.66 -0.03 0.00 0.51 0.00 0.00 43.02 40.67 1xwe s PHE 1582CO -0.31 -0.22 -0.10 0.96 0.70 0.00 0.00 175.22 176.25 1xwe s ILE 1583N 2.08 3.43 0.00 0.64 -4.36 -0.85 -0.69 121.20 121.44 1xwe s ILE 1583Ca 0.20 -0.90 0.00 0.00 -0.26 0.00 0.00 60.65 59.69 1xwe s ILE 1583Cb -0.16 -2.49 0.00 0.00 1.25 0.00 0.00 42.46 41.07 1xwe s ILE 1583CO 0.09 0.37 0.00 2.29 0.24 0.00 0.00 174.94 177.93 1xwe n LYS 1584N 1.51 0.00 -3.82 0.37 2.85 -0.73 -2.78 118.16 115.56 1xwe n LYS 1584Ca -0.15 0.00 -0.25 0.00 -1.05 0.00 0.00 58.31 56.86 1xwe n LYS 1584Cb 0.52 0.00 -0.01 0.00 -0.65 0.00 0.00 35.03 34.89 1xwe n LYS 1584CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 1xwe s LYS 1585N -1.73 2.29 0.29 -1.58 3.01 -1.26 -0.93 119.74 119.83 1xwe s LYS 1585Ca 0.00 -1.93 0.16 0.00 -1.01 0.00 0.00 55.97 53.19 1xwe s LYS 1585Cb 0.00 -2.15 0.21 0.00 -1.01 0.00 0.00 37.83 34.87 1xwe s LYS 1585CO 0.00 -0.54 1.51 -0.24 0.51 0.00 0.00 175.35 176.58 1xwe h VAL 1586N 0.80 0.92 0.00 3.17 3.04 -1.76 -3.10 116.25 119.32 1xwe h VAL 1586Ca -0.37 -2.12 0.00 0.00 -1.01 0.00 0.00 66.70 63.20 1xwe h VAL 1586Cb 1.29 2.33 0.00 0.00 -2.01 0.00 0.00 31.29 32.90 1xwe h VAL 1586CO 0.57 0.49 0.00 0.35 -1.01 0.00 0.00 177.57 177.97 1xwe n THR 1587N -3.30 0.40 0.07 3.17 -2.24 -1.26 -3.56 114.28 107.55 1xwe n THR 1587Ca 0.01 0.10 -0.03 0.00 -2.27 0.00 0.00 64.05 61.86 1xwe n THR 1587Cb 0.69 -0.71 0.01 0.00 -2.10 0.00 0.00 70.33 68.22 1xwe n THR 1587CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xwe h THR 1589N 0.57 0.24 -0.54 0.00 2.02 -1.83 -1.82 112.91 111.55 1xwe h THR 1589Ca 0.06 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.39 1xwe h THR 1589Cb 1.08 1.00 -0.02 0.00 -1.74 0.00 0.00 68.15 68.46 1xwe h THR 1589CO 0.14 0.00 0.39 0.78 0.37 0.00 0.00 175.52 177.19 1xwe h ASN 1590N 0.00 0.03 -3.73 4.18 4.21 -1.86 -3.37 115.58 115.03 1xwe h ASN 1590Ca 0.00 0.00 -0.64 0.00 1.21 0.00 0.00 56.30 56.87 1xwe h ASN 1590Cb 0.01 -0.00 -0.19 0.00 -1.12 0.00 0.00 38.32 37.01 1xwe h ASN 1590CO -0.00 0.02 -0.57 0.00 -1.29 0.00 0.00 177.43 175.59 1xwe s ALA 1591N -5.04 3.36 -0.32 -0.83 0.00 -0.69 -4.78 121.76 113.46 1xwe s ALA 1591Ca -0.05 -1.07 -0.00 0.00 0.00 0.00 0.00 51.96 50.83 1xwe s ALA 1591Cb 0.20 -2.26 0.10 0.00 0.00 0.00 0.00 23.12 21.16 1xwe s ALA 1591CO 0.73 -0.45 0.10 -1.21 0.00 0.00 0.00 175.76 174.93 1xwe s GLU 1592N 1.56 0.81 0.59 0.00 2.02 -1.26 -5.02 118.70 117.41 1xwe s GLU 1592Ca 0.06 -1.19 0.04 0.00 0.02 0.00 0.00 54.97 53.90 1xwe s GLU 1592Cb -0.15 -2.11 0.08 0.00 0.10 0.00 0.00 34.13 32.04 1xwe s GLU 1592CO 0.07 -0.99 0.82 -0.51 0.02 0.00 0.00 175.26 174.67 1xwe s LEU 1593N 1.49 3.19 -0.02 1.80 1.02 -1.26 -5.13 118.68 119.77 1xwe s LEU 1593Ca 0.10 -0.43 0.02 0.00 0.02 0.00 0.00 54.13 53.85 1xwe s LEU 1593Cb -0.18 -2.19 0.00 0.00 0.02 0.00 0.00 46.19 43.84 1xwe s LEU 1593CO -0.22 -1.38 -0.08 -0.69 0.02 0.00 0.00 176.35 174.00 1xwe s VAL 1594N -2.80 0.66 -0.19 -1.59 1.01 -1.26 -5.11 120.40 111.12 1xwe s VAL 1594Ca 0.61 -0.30 -0.29 0.00 0.00 0.00 0.00 61.98 62.00 1xwe s VAL 1594Cb -0.07 -0.59 -0.03 0.00 0.00 0.00 0.00 36.38 35.68 1xwe s VAL 1594CO 0.40 0.21 1.57 -1.59 0.00 0.00 0.00 175.10 175.69 1xwe s LYS 1595N 0.17 3.91 0.00 2.72 -2.85 -1.26 -2.53 119.74 119.90 1xwe s LYS 1595Ca -0.02 1.73 0.00 0.00 -1.00 0.00 0.00 55.97 56.68 1xwe s LYS 1595Cb -0.07 -3.99 0.00 0.00 -2.06 0.00 0.00 37.83 31.70 1xwe s LYS 1595CO 0.00 -1.15 0.00 0.41 0.10 0.00 0.00 175.35 174.71 1xwe n GLY 1596N 4.45 1.22 3.99 0.59 0.00 0.20 -4.92 105.19 110.72 1xwe n GLY 1596Ca 0.18 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.99 1xwe n GLY 1596CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xwe s ARG 1597N -0.14 2.30 -0.11 1.61 3.00 -1.05 -4.85 118.95 119.71 1xwe s ARG 1597Ca 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 55.73 54.69 1xwe s ARG 1597Cb 0.00 -2.50 -0.02 0.00 0.00 0.00 0.00 34.95 32.43 1xwe s ARG 1597CO 0.00 -0.89 -0.11 -0.65 0.00 0.00 0.00 175.30 173.65 1xwe s GLN 1598N -4.81 3.17 0.06 3.54 -0.21 -1.26 -1.31 119.66 118.84 1xwe s GLN 1598Ca 0.60 -0.63 0.04 0.00 0.02 0.00 0.00 55.36 55.38 1xwe s GLN 1598Cb -0.08 -2.63 -0.03 0.00 1.00 0.00 0.00 33.01 31.27 1xwe s GLN 1598CO 0.39 0.37 -0.11 0.71 -2.12 0.00 0.00 175.29 174.54 1xwe s TYR 1599N -0.04 0.92 -0.15 0.91 1.51 -0.82 -1.71 117.35 117.97 1xwe s TYR 1599Ca -0.02 -0.48 -0.14 0.00 -1.01 0.00 0.00 57.07 55.42 1xwe s TYR 1599Cb -0.14 -0.53 -0.05 0.00 -0.11 0.00 0.00 41.96 41.13 1xwe s TYR 1599CO 0.04 -0.02 0.31 -1.17 -1.11 0.00 0.00 175.55 173.59 1xwe s LEU 1600N -1.65 4.26 -0.08 -1.29 1.98 0.26 -2.10 118.68 120.05 1xwe s LEU 1600Ca -0.06 0.55 0.05 0.00 -2.89 0.00 0.00 54.13 51.77 1xwe s LEU 1600Cb -0.10 -2.40 -0.00 0.00 0.66 0.00 0.00 46.19 44.35 1xwe s LEU 1600CO 0.01 0.11 -0.23 -0.63 -1.89 0.00 0.00 176.35 173.72 1xwe s ILE 1601N 0.37 1.97 -0.19 6.68 1.09 -0.87 -1.90 121.20 128.36 1xwe s ILE 1601Ca 0.17 -0.98 -0.10 0.00 -1.10 0.00 0.00 60.65 58.64 1xwe s ILE 1601Cb -0.13 -1.69 0.06 0.00 -1.06 0.00 0.00 42.46 39.64 1xwe s ILE 1601CO 0.05 0.54 0.45 -0.32 -0.10 0.00 0.00 174.94 175.56 1xwe s MET 1602N 0.20 0.43 0.00 2.79 1.75 -0.70 -2.24 119.30 121.53 1xwe s MET 1602Ca -0.14 0.87 0.00 0.00 -1.25 0.00 0.00 55.69 55.17 1xwe s MET 1602Cb -0.16 0.03 0.00 0.00 2.84 0.00 0.00 34.83 37.53 1xwe s MET 1602CO 0.07 -0.16 0.00 0.41 -0.65 0.00 0.00 175.02 174.68 1xwe n GLY 1603N 4.36 -1.27 3.53 2.11 0.00 -1.01 -0.13 105.19 112.77 1xwe n GLY 1603Ca -0.22 -1.15 -0.35 0.00 0.00 0.00 0.00 46.02 44.30 1xwe n GLY 1603CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1xwe n LYS 1604N 0.00 0.24 -0.51 1.61 3.00 -1.10 -0.48 118.16 120.93 1xwe n LYS 1604Ca 0.00 0.13 -0.29 0.00 -0.00 0.00 0.00 58.31 58.16 1xwe n LYS 1604Cb 0.00 -2.01 0.27 0.00 0.00 0.00 0.00 35.03 33.28 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 -3.22 -1.61 0.74 1.64 -1.05 -1.26 -4.63 118.70 109.32 1xwe s GLU 1605Ca 0.67 0.58 -0.12 0.00 -0.15 0.00 0.00 54.97 55.96 1xwe s GLU 1605Cb -0.32 -1.49 0.17 0.00 -0.44 0.00 0.00 34.13 32.05 1xwe s GLU 1605CO 0.57 -4.11 1.01 0.00 0.95 0.00 0.00 175.26 173.67 1xwe n ALA 1606N -5.16 -1.09 -2.85 -0.84 0.00 -1.26 -4.90 120.51 104.41 1xwe n ALA 1606Ca 0.05 -1.35 -0.05 0.00 0.00 0.00 0.00 53.44 52.09 1xwe n ALA 1606Cb 0.56 -0.04 0.02 0.00 0.00 0.00 0.00 19.45 19.98 1xwe n ALA 1606CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1xwe n LEU 1607N 0.00 0.00 -3.39 0.00 4.77 -0.65 -4.82 117.00 112.91 1xwe n LEU 1607Ca 0.13 -0.48 0.02 0.00 -0.03 0.00 0.00 56.01 55.65 1xwe n LEU 1607Cb 0.45 -0.09 -0.04 0.00 -2.33 0.00 0.00 43.42 41.40 1xwe n LEU 1607CO 0.32 -0.55 0.63 -1.58 -1.33 0.00 0.00 177.39 174.88 1xwe s GLN 1608N -2.61 0.28 -0.05 3.23 0.74 -1.25 -3.76 119.66 116.23 1xwe s GLN 1608Ca 0.12 0.69 0.03 0.00 0.05 0.00 0.00 55.36 56.25 1xwe s GLN 1608Cb -0.01 0.42 -0.05 0.00 1.10 0.00 0.00 33.01 34.47 1xwe s GLN 1608CO 0.08 -0.10 -0.01 -0.89 -0.55 0.00 0.00 175.29 173.82 1xwe n ILE 1609N 4.96 0.32 0.00 -2.34 5.41 -1.19 -4.93 119.36 121.58 1xwe n ILE 1609Ca -0.09 -0.17 0.00 0.00 1.00 0.00 0.00 62.75 63.50 1xwe n ILE 1609Cb 0.53 -0.81 0.00 0.00 -0.71 0.00 0.00 39.64 38.65 1xwe n ILE 1609CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 1xwe n LYS 1610N -2.38 0.00 0.00 0.38 4.81 -1.25 -4.79 118.16 114.93 1xwe n LYS 1610Ca -0.09 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.35 1xwe n LYS 1610Cb 0.63 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.68 1xwe n LYS 1610CO 0.00 0.00 0.00 2.48 1.17 0.00 0.00 177.40 181.05 1xwe n TYR 1611N 0.00 0.00 0.00 5.64 4.11 0.23 -4.26 117.16 122.88 1xwe n TYR 1611Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.90 1xwe n TYR 1611Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.34 1xwe n TYR 1611CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.86 176.95 1xwe n ASN 1612N 0.00 0.00 0.00 9.48 3.02 -0.77 -4.95 115.26 122.04 1xwe n ASN 1612Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1xwe n ASN 1612Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1xwe n ASN 1612CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xwe n ALA 1613N -0.54 0.15 0.39 5.41 0.00 -1.26 -4.92 120.51 119.74 1xwe n ALA 1613Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.54 1xwe n ALA 1613Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.31 1xwe n ALA 1613CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1xwe n SER 1614N -1.28 0.58 -3.81 0.00 2.88 -1.26 -4.87 113.62 105.86 1xwe n SER 1614Ca 0.00 -0.40 -0.26 0.00 -1.33 0.00 0.00 58.87 56.88 1xwe n SER 1614Cb 0.00 1.54 -0.17 0.00 -0.75 0.00 0.00 64.21 64.83 1xwe n SER 1614CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 1xwe s PHE 1615N -3.19 1.09 -0.20 0.66 0.08 -1.26 -5.00 117.98 110.16 1xwe s PHE 1615Ca -0.01 -0.60 0.00 0.00 0.12 0.00 0.00 56.93 56.44 1xwe s PHE 1615Cb 0.14 -1.03 0.00 0.00 -0.57 0.00 0.00 43.02 41.56 1xwe s PHE 1615CO 0.84 -0.48 0.00 2.89 -0.10 0.00 0.00 175.22 178.36 1xwe n ARG 1616N 5.04 -0.71 -2.64 0.44 1.85 -1.26 0.76 116.66 120.13 1xwe n ARG 1616Ca -0.09 0.00 -0.43 0.00 -1.00 0.00 0.00 57.85 56.33 1xwe n ARG 1616Cb 0.49 0.00 -0.02 0.00 -1.05 0.00 0.00 32.46 31.88 1xwe n ARG 1616CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 1xwe s TYR 1617N -3.00 3.09 0.01 2.89 1.51 -1.26 -3.17 117.35 117.42 1xwe s TYR 1617Ca 0.00 1.10 0.02 0.00 -1.01 0.00 0.00 57.07 57.18 1xwe s TYR 1617Cb 0.00 -3.81 -0.01 0.00 -0.11 0.00 0.00 41.96 38.03 1xwe s TYR 1617CO 0.00 -0.85 -0.07 0.96 -1.11 0.00 0.00 175.55 174.48 1xwe s ILE 1618N 3.77 0.52 -0.17 2.71 -4.36 -1.25 -4.82 121.20 117.61 1xwe s ILE 1618Ca 0.45 -0.50 -0.16 0.00 -0.26 0.00 0.00 60.65 60.18 1xwe s ILE 1618Cb -0.11 -0.48 -0.04 0.00 1.25 0.00 0.00 42.46 43.07 1xwe s ILE 1618CO 0.18 -0.00 0.41 -0.31 0.24 0.00 0.00 174.94 175.46 1xwe s TYR 1619N -0.48 3.43 0.76 1.37 1.51 -0.56 -1.64 117.35 121.73 1xwe s TYR 1619Ca -0.01 0.70 -0.12 0.00 -1.01 0.00 0.00 57.07 56.63 1xwe s TYR 1619Cb -0.04 -2.51 0.17 0.00 -0.11 0.00 0.00 41.96 39.47 1xwe s TYR 1619CO 0.00 0.08 1.03 -0.35 -1.11 0.00 0.00 175.55 175.20 1xwe n PRO 1620N 4.10 -0.97 -3.43 -1.71 -0.04 -1.26 -2.01 135.00 129.68 1xwe n PRO 1620Ca -0.08 -1.63 -0.20 0.00 -0.04 0.00 0.00 63.50 61.55 1xwe n PRO 1620Cb 0.51 -1.05 -0.11 0.00 -0.04 0.00 0.00 33.50 32.82 1xwe n PRO 1620CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1xwe s LEU 1621N 0.00 -0.07 0.00 1.53 1.43 -1.12 -4.59 118.68 115.86 1xwe s LEU 1621Ca 0.59 -0.90 0.00 0.00 -1.03 0.00 0.00 54.13 52.79 1xwe s LEU 1621Cb -0.02 0.33 -0.00 0.00 0.03 0.00 0.00 46.19 46.54 1xwe s LEU 1621CO 0.41 -0.39 0.02 0.47 0.23 0.00 0.00 176.35 177.08 1xwe n ASP 1622N 5.26 1.47 0.00 2.29 9.92 -1.26 -3.53 116.55 130.69 1xwe n ASP 1622Ca -0.02 -1.38 0.11 0.00 -0.53 0.00 0.00 54.79 52.98 1xwe n ASP 1622Cb 0.45 0.13 0.59 0.00 -0.64 0.00 0.00 41.12 41.66 1xwe n ASP 1622CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 1xwe n SER 1623N -1.62 0.00 -0.04 -2.24 3.41 -1.26 -2.27 113.62 109.60 1xwe n SER 1623Ca -0.02 -0.09 -0.11 0.00 -0.26 0.00 0.00 58.87 58.39 1xwe n SER 1623Cb 0.11 -0.26 -0.14 0.00 -0.26 0.00 0.00 64.21 63.65 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 -1.26 0.99 -4.55 1.04 -0.00 -1.26 -4.83 117.00 107.13 1xwe n LEU 1624Ca 0.11 0.27 -0.33 0.00 -0.00 0.00 0.00 56.01 56.07 1xwe n LEU 1624Cb 0.18 0.04 -0.05 0.00 -0.00 0.00 0.00 43.42 43.58 1xwe n LEU 1624CO 0.17 0.50 1.93 0.41 -0.00 0.00 0.00 177.39 180.40 1xwe n THR 1625N -3.04 -0.07 -1.69 1.47 -1.04 -1.13 -4.83 114.28 103.95 1xwe n THR 1625Ca -0.24 -0.70 -0.43 0.00 -2.04 0.00 0.00 64.05 60.65 1xwe n THR 1625Cb 1.07 -2.48 -0.03 0.00 -1.82 0.00 0.00 70.33 67.08 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 12.22 1.30 -0.10 -1.42 -0.11 0.81 -4.81 118.94 126.83 1xwe s TRP 1626Ca 1.01 0.57 0.01 0.00 1.22 0.00 0.00 56.10 58.91 1xwe s TRP 1626Cb -0.26 -3.97 -0.02 0.00 -1.50 0.00 0.00 33.47 27.72 1xwe s TRP 1626CO 0.26 -3.83 -0.12 0.42 -4.62 0.00 0.00 176.95 169.06 1xwe s ILE 1627N 8.07 3.22 -0.29 5.86 -1.09 -1.26 -1.71 121.20 134.00 1xwe s ILE 1627Ca 0.96 -0.63 -0.00 0.00 -2.23 0.00 0.00 60.65 58.75 1xwe s ILE 1627Cb -0.31 -2.32 0.14 0.00 -1.58 0.00 0.00 42.46 38.39 1xwe s ILE 1627CO 0.35 0.55 0.30 -0.70 -1.23 0.00 0.00 174.94 174.21 1xwe s GLU 1628N -0.17 0.32 -0.00 2.79 -6.30 -0.80 -3.07 118.70 111.46 1xwe s GLU 1628Ca 0.00 -0.12 -0.32 0.00 -2.50 0.00 0.00 54.97 52.03 1xwe s GLU 1628Cb -0.13 -0.65 -0.10 0.00 0.00 0.00 0.00 34.13 33.24 1xwe s GLU 1628CO 0.03 -1.02 1.93 0.98 0.02 0.00 0.00 175.26 177.20 1xwe n TYR 1629N 5.31 2.45 -2.96 5.30 9.36 -1.26 -0.58 117.16 134.78 1xwe n TYR 1629Ca -0.02 -0.22 -0.43 0.00 3.32 0.00 0.00 57.90 60.55 1xwe n TYR 1629Cb 0.46 -2.75 -0.05 0.00 -0.63 0.00 0.00 39.34 36.38 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 4.19 2.92 -0.69 2.98 -0.11 -0.69 -4.89 118.94 122.64 1xwe s TRP 1630Ca 0.90 -0.12 -0.27 0.00 1.22 0.00 0.00 56.10 57.82 1xwe s TRP 1630Cb -0.54 -3.80 -0.13 0.00 -1.50 0.00 0.00 33.47 27.50 1xwe s TRP 1630CO 0.45 -1.16 2.52 -2.30 -4.62 0.00 0.00 176.95 171.84 1xwe n PRO 1631N 6.90 0.64 -0.10 5.86 -0.02 -1.26 -4.50 135.00 142.52 1xwe n PRO 1631Ca -0.01 -0.03 -0.00 0.00 -2.02 0.00 0.00 63.50 61.44 1xwe n PRO 1631Cb 0.47 -2.72 0.27 0.00 -0.02 0.00 0.00 33.50 31.50 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 16.60 0.74 -6.26 -0.52 2.43 -1.93 -3.41 114.38 122.03 1xwe h ARG 1632Ca -0.16 -0.11 -0.56 0.00 -0.81 0.00 0.00 59.98 58.34 1xwe h ARG 1632Cb 1.27 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.67 1xwe h ARG 1632CO 1.25 0.61 1.11 0.34 -1.51 0.00 0.00 179.97 181.77 1xwe s ASP 1633N -6.58 6.50 0.00 -3.80 -1.08 -1.26 -4.78 116.67 105.67 1xwe s ASP 1633Ca -0.09 1.88 0.00 0.00 -0.52 0.00 0.00 52.55 53.82 1xwe s ASP 1633Cb 0.16 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 39.09 1xwe s ASP 1633CO 0.78 -1.12 0.00 0.35 0.52 0.00 0.00 175.17 175.70 1xwe n THR 1634N 6.01 0.00 0.06 1.71 -2.24 -1.26 -4.75 114.28 113.81 1xwe n THR 1634Ca 0.18 -0.12 0.08 0.00 -2.27 0.00 0.00 64.05 61.92 1xwe n THR 1634Cb 0.44 0.73 0.26 0.00 -2.10 0.00 0.00 70.33 69.66 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 -0.40 1.10 -3.99 4.28 5.66 -1.26 -4.82 114.28 114.85 1xwe n THR 1635Ca 0.00 -0.82 -0.27 0.00 -3.05 0.00 0.00 64.05 59.91 1xwe n THR 1635Cb 0.00 0.17 -0.17 0.00 -1.55 0.00 0.00 70.33 68.78 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 4.80 -8.32 -2.17 0.00 2.88 -1.26 -4.00 113.62 105.54 1xwe n SER 1637Ca -0.14 0.73 -0.20 0.00 -1.33 0.00 0.00 58.87 57.93 1xwe n SER 1637Cb 0.50 -4.33 -0.05 0.00 -0.75 0.00 0.00 64.21 59.58 1xwe n SER 1637CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1xwe n SER 1638N -4.18 6.19 -0.46 -3.46 3.41 -1.26 -4.52 113.62 109.34 1xwe n SER 1638Ca -0.01 -2.99 0.01 0.00 -0.26 0.00 0.00 58.87 55.62 1xwe n SER 1638Cb 0.64 -1.21 0.03 0.00 -0.26 0.00 0.00 64.21 63.41 1xwe n SER 1638CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xwe n GLN 1640N -0.07 1.12 0.42 0.00 6.02 -1.26 -4.08 117.38 119.53 1xwe n GLN 1640Ca 0.02 -0.19 -0.16 0.00 -0.01 0.00 0.00 57.00 56.66 1xwe n GLN 1640Cb 0.24 -1.32 -0.08 0.00 1.02 0.00 0.00 30.24 30.11 1xwe n GLN 1640CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1xwe h ALA 1641N 3.68 -1.29 0.00 -1.58 0.00 -1.98 -1.93 119.26 116.16 1xwe h ALA 1641Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1xwe h ALA 1641Cb 0.08 0.41 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1xwe h ALA 1641CO 0.00 -1.21 0.00 0.34 0.00 0.00 0.00 179.25 178.38 1xwe n PHE 1642N -4.88 0.00 0.65 0.00 7.35 -1.26 -2.23 117.46 117.10 1xwe n PHE 1642Ca -0.13 0.00 0.11 0.00 -0.76 0.00 0.00 57.45 56.67 1xwe n PHE 1642Cb 0.42 -0.33 0.27 0.00 0.35 0.00 0.00 39.48 40.20 1xwe n PHE 1642CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 1xwe n LEU 1643N -1.33 2.76 -0.12 -2.13 4.77 -0.96 -3.98 117.00 116.01 1xwe n LEU 1643Ca 0.09 -1.20 -0.23 0.00 -0.03 0.00 0.00 56.01 54.64 1xwe n LEU 1643Cb 0.18 -0.21 -0.09 0.00 -2.33 0.00 0.00 43.42 40.98 1xwe n LEU 1643CO 0.17 0.60 -1.28 0.00 -1.33 0.00 0.00 177.39 175.54 1xwe n ALA 1644N 1.04 1.51 0.23 -1.18 0.00 -0.77 -4.29 120.51 117.04 1xwe n ALA 1644Ca 0.18 -0.93 0.06 0.00 0.00 0.00 0.00 53.44 52.75 1xwe n ALA 1644Cb 0.49 0.16 0.55 0.00 0.00 0.00 0.00 19.45 20.65 1xwe n ALA 1644CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 1xwe h ASN 1645N -0.67 0.02 0.28 0.00 -1.07 -1.74 -1.48 115.58 110.92 1xwe h ASN 1645Ca -0.57 -0.00 -0.08 0.00 0.07 0.00 0.00 56.30 55.72 1xwe h ASN 1645Cb 1.56 -0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 37.80 1xwe h ASN 1645CO -0.30 0.13 -0.33 -0.07 0.07 0.00 0.00 177.43 176.92 1xwe h LEU 1646N 0.02 0.09 -1.33 6.14 3.38 -1.79 -2.45 115.31 119.37 1xwe h LEU 1646Ca 0.00 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 1xwe h LEU 1646Cb 0.20 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1xwe h LEU 1646CO 0.01 0.43 -0.27 -0.78 0.09 0.00 0.00 178.44 177.92 1xwe h ASP 1647N 0.08 0.10 -0.00 -0.43 3.58 -1.45 -0.08 116.42 118.22 1xwe h ASP 1647Ca 0.01 -0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.43 1xwe h ASP 1647Cb 0.64 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.66 1xwe h ASP 1647CO 0.05 0.38 0.00 -0.62 -2.88 0.00 0.00 179.24 176.16 1xwe n GLU 1648N -4.18 1.01 -0.01 0.28 -0.58 -0.93 -3.31 120.64 112.92 1xwe n GLU 1648Ca -0.02 -0.02 -0.01 0.00 -0.42 0.00 0.00 57.16 56.70 1xwe n GLU 1648Cb 0.34 -1.35 -0.02 0.00 -0.57 0.00 0.00 31.44 29.85 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 -0.83 0.00 0.19 -0.32 7.35 -0.52 -4.32 117.46 119.02 1xwe n PHE 1649Ca 0.17 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.78 1xwe n PHE 1649Cb 0.08 -0.10 -0.04 0.00 0.35 0.00 0.00 39.48 39.78 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 0.10 -0.94 0.00 3.13 0.00 -1.05 -2.89 119.26 117.61 1xwe h ALA 1650Ca -0.05 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1xwe h ALA 1650Cb 1.08 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1xwe h ALA 1650CO 0.00 -0.91 0.00 -1.91 0.00 0.00 0.00 179.25 176.44 1xwe n GLU 1651N -3.58 0.12 0.00 0.00 2.13 -1.24 -2.55 120.64 115.52 1xwe n GLU 1651Ca -0.06 0.30 0.00 0.00 0.66 0.00 0.00 57.16 58.06 1xwe n GLU 1651Cb 0.20 -1.71 0.00 0.00 0.27 0.00 0.00 31.44 30.20 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 -1.93 0.00 0.25 4.31 2.03 -1.18 -1.32 116.55 118.71 1xwe n ASP 1652Ca 0.03 0.78 0.09 0.00 0.52 0.00 0.00 54.79 56.21 1xwe n ASP 1652Cb 0.24 -0.45 0.64 0.00 -0.72 0.00 0.00 41.12 40.83 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 0.88 0.05 5.18 2.10 -1.60 0.42 117.51 124.54 1xwe h ILE 1653Ca 0.00 -0.43 -0.00 0.00 1.08 0.00 0.00 64.86 65.50 1xwe h ILE 1653Cb 0.00 1.25 0.00 0.00 -1.09 0.00 0.00 36.82 36.98 1xwe h ILE 1653CO 0.00 0.12 -0.02 0.15 -1.08 0.00 0.00 178.15 177.31 1xwe h PHE 1654N 0.00 -0.06 0.00 2.19 3.57 -1.55 -2.43 116.94 118.66 1xwe h PHE 1654Ca -0.00 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1xwe h PHE 1654Cb 0.24 0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.00 1xwe h PHE 1654CO 0.00 0.15 -0.10 1.25 -2.23 0.00 0.00 178.31 177.37 1xwe h LEU 1655N -0.26 0.00 0.00 0.59 6.46 -0.87 -3.43 115.31 117.80 1xwe h LEU 1655Ca -0.01 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.75 1xwe h LEU 1655Cb 0.24 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.17 1xwe h LEU 1655CO 0.01 0.33 0.00 0.59 -0.62 0.00 0.00 178.44 178.75 1xwe n ASN 1656N -3.53 0.00 -0.76 1.25 3.02 0.14 -5.04 115.26 110.34 1xwe n ASN 1656Ca -0.01 0.75 0.00 0.00 -0.03 0.00 0.00 54.58 55.29 1xwe n ASN 1656Cb 0.05 -0.27 0.00 0.00 -0.61 0.00 0.00 39.78 38.96 1xwe n ASN 1656CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xwe n GLY 1657N -0.67 -3.85 0.53 7.41 0.00 -0.91 -4.98 105.19 102.72 1xwe n GLY 1657Ca 0.00 -0.88 0.14 0.00 0.00 0.00 0.00 46.02 45.27 1xwe n GLY 1657CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32