Structural statistics: str target upper limits van der Waals torsion angles function # sum max # sum max # sum max 1 14.93 79 24.2 0.76 19 17.7 0.37 14 171.7 11.69 2 15.00 90 26.1 0.66 17 17.9 0.40 14 172.6 19.59 3 15.22 83 25.7 0.77 21 18.1 0.37 13 153.3 10.58 4 15.55 78 24.0 0.81 21 16.8 0.35 18 187.1 15.22 5 15.95 80 24.2 0.88 20 19.7 0.54 14 194.7 15.20 6 16.10 85 26.1 0.89 19 19.9 0.50 11 132.5 11.39 7 16.12 85 25.3 0.81 16 19.3 0.52 12 164.6 16.79 8 16.12 80 24.3 0.97 21 19.7 0.44 13 145.4 13.01 9 16.18 86 25.6 0.98 21 16.5 0.38 15 166.8 12.93 10 16.19 86 26.1 0.72 22 19.3 0.39 12 149.3 18.81 11 16.38 86 26.7 0.93 17 17.6 0.41 12 156.6 16.29 12 16.45 85 26.8 0.76 22 18.6 0.52 12 155.0 12.11 13 16.52 87 26.5 0.94 18 17.5 0.46 14 152.8 13.90 14 16.59 91 27.3 0.77 14 17.6 0.34 16 175.9 17.11 15 16.68 77 26.2 0.78 23 18.4 0.36 15 171.1 14.14 16 16.80 98 27.7 0.75 17 20.0 0.41 15 179.1 20.21 17 16.84 82 25.9 0.83 22 20.5 0.60 13 152.8 10.42 18 16.86 90 27.0 0.75 19 18.8 0.45 17 172.8 18.98 19 16.87 82 26.2 0.76 22 18.2 0.29 14 182.0 15.21 20 16.88 85 26.9 0.67 16 19.9 0.44 14 179.0 17.99 Ave 16.21 85 25.9 0.81 19 18.6 0.43 14 165.7 15.08 +/- 0.60 5 1.0 0.09 2 1.1 0.08 2 15.3 3.00 Min 14.93 77 24.0 0.66 14 16.5 0.29 11 132.5 10.42 Max 16.88 98 27.7 0.98 23 20.5 0.60 18 194.7 20.21 Constraints violated in 6 or more structures: Cutoffs: Upper distance limits : 0.10 A Lower distance limits : 0.20 A Angle constraints : 5.00 deg # mean max. 1 5 10 15 20 Upper HA VAL 84 - HN GLU- 85 3.30 8 0.09 0.32 +++* ++ + + # peak 18 # SUP 3.62 Upper HN ALA 55 - HB3 LEU 66 4.60 20 0.48 0.89 +++++*++++++++++++++ # peak 26 # SUP 3.28 Upper HN TYR 101 - HN VAL 102 4.52 9 0.07 0.12 + + ++ * + + ++ # peak 86 # SUP 2.99 Upper HB3 GLU- 93 - HN ARG+ 94 3.94 6 0.08 0.40 + * + + + + # peak 173 # SUP 4.56 Upper HN GLU- 90 - HG2 GLU- 93 4.13 13 0.19 0.37 + ++ ++* ++++ + ++ # peak 204 # SUP 3.13 Upper HG2 GLN 81 - HN GLU- 90 4.71 7 0.09 0.37 + +++ ++ * # peak 209 # SUP 1.84 Upper HN THR 64 - HA ASN 65 4.64 20 0.33 0.36 +++++++++*++++++++++ # peak 248 # SUP 2.94 Upper HN TYR 87 - HB3 GLU- 91 3.90 17 0.29 0.63 +++ *+++ +++ +++++++ # peak 267 # SUP 2.71 Upper HG3 PRO 37 - HN GLU- 40 3.72 7 0.09 0.39 + ++ + * + + # peak 272 # SUP 1.93 Upper QB ALA 92 - HN GLU- 93 3.58 18 0.17 0.21 +++ ++*+++++ +++++++ # peak 297 # SUP 3.52 Upper HA ARG+ 52 - HN PHE 60 4.62 18 0.26 0.46 ++++++ ++*++++ +++++ # peak 317 # SUP 0.47 Upper HN ASN 38 - HB3 GLU- 40 4.19 10 0.12 0.40 + + + +++* + ++ # peak 342 # SUP 1.09 Upper HN LYS+ 73 - HB3 LYS+ 76 4.59 9 0.10 0.21 ++ + ++ * + ++ # peak 407 # SUP 0.83 HG3 ARG+ 71 - HN LYS+ 73 # SUP 1.83 HN LYS+ 73 - HB3 LYS+ 77 # SUP 0.81 Upper QD2 LEU 50 - HN HIS 51 4.92 19 0.25 0.44 +*++++ +++++++++++++ # peak 437 # SUP 6.63 Upper HN HIS 51 - HN ARG+ 52 4.39 13 0.17 0.25 + ++ ++ *+++++++ # peak 438 # SUP 4.35 Upper HN HIS 51 - HB2 PHE 60 5.36 7 0.17 0.75 + + ++ + * + # peak 441 # SUP 4.01 Upper HN ILE 61 - HB2 HIS 69 4.60 6 0.06 0.30 + + + ++* # peak 461 # SUP 1.29 HB3 TYR 59 - HN ILE 61 # SUP 2.17 Upper HN HIS 69 - HB3 PHE 70 4.78 20 0.33 0.46 +++++++++++++*++++++ # peak 491 # SUP 5.05 Upper HN GLN 81 - HG2 GLN 81 4.38 6 0.06 0.27 + + + + + * # peak 513 # SUP 5.49 Upper HN HIS 75 - HB3 LYS+ 76 3.70 20 0.18 0.24 ++++*+++++++++++++++ # peak 519 # SUP 5.28 HN HIS 75 - HB3 LYS+ 77 # SUP 5.24 HG3 ARG+ 71 - HN HIS 75 # SUP 4.45 Upper HA PHE 70 - HN HIS 75 5.50 14 0.15 0.31 ++ +*++ ++ ++++++ # peak 527 # SUP 1.64 Upper HG LEU 79 - HN LYS+ 80 4.55 14 0.18 0.36 ++++ ++++ *+ ++++ # peak 550 # SUP 8.10 Upper HG3 ARG+ 78 - HN LYS+ 80 3.95 20 0.43 0.67 ++++++*+++++++++++++ # peak 551 # SUP 3.67 Upper QD1 LEU 54 - HN LYS+ 67 4.59 18 0.27 0.47 +++++++++++++ *++++ # peak 567 # SUP 0.75 Upper HN LEU 79 - HG LEU 79 3.82 9 0.10 0.34 + +* + + + ++ + # peak 585 # SUP 8.08 HB3 ARG+ 58 - HN LEU 79 # SUP 1.88 Upper HN LEU 79 - HG2 LYS+ 80 3.92 15 0.16 0.39 ++++ + ++* ++++++ + # peak 588 # SUP 5.75 HN LEU 79 - HG3 LYS+ 80 # SUP 6.27 HN LEU 79 - HD2 LYS+ 80 # SUP 4.99 HG2 LYS+ 76 - HN LEU 79 # SUP 1.46 Upper HN ARG+ 71 - HD3 ARG+ 71 4.76 7 0.05 0.18 + + ++ *++ # peak 647 # SUP 5.28 Upper HA CYS 56 - HN ARG+ 58 4.63 20 0.58 0.76 +++++++++++*++++++++ # peak 658 # SUP 4.30 HA LEU 54 - HN ARG+ 58 # SUP 0.91 HA ALA 55 - HN ARG+ 58 # SUP 1.39 Upper HB2 LEU 45 - HN GLY 48 5.47 9 0.15 0.37 * + ++ + +++ + # peak 698 # SUP 4.01 Upper HN ARG+ 52 - HG LEU 66 4.18 17 0.28 0.65 ++*++ + +++++++++++ # peak 737 # SUP 3.12 HN ARG+ 52 - QD2 LEU 82 # SUP 1.26 HN ARG+ 52 - HG LEU 82 # SUP 2.18 QD1 LEU 50 - HN ARG+ 52 # SUP 1.87 Upper HN ARG+ 52 - HN CYS 53 4.12 20 0.37 0.41 ++++++++++++++++*+++ # peak 741 # SUP 6.65 Upper HN ARG+ 52 - HG2 ARG+ 52 4.64 6 0.07 0.25 *+ + + + + # peak 742 # SUP 7.86 Upper HN ARG+ 52 - HA TYR 59 4.77 9 0.11 0.34 + *+ + + ++ + + # peak 746 # SUP 1.38 HN ARG+ 52 - HA PHE 60 # SUP 1.41 Upper HN ALA 55 - HN ALA 57 4.84 20 0.59 0.93 ++++++++++*+++++++++ # peak 801 # SUP 3.44 HN ALA 55 - HN LYS+ 67 # SUP 1.27 Upper HD3 LYS+ 76 - HN LYS+ 77 4.49 6 0.10 0.27 ++* + + + # peak 828 # SUP 6.07 HG3 LYS+ 76 - HN LYS+ 77 # SUP 6.23 Upper HN LYS+ 77 - HG3 ARG+ 78 5.15 10 0.15 0.57 + + + +++*+ ++ # peak 836 # SUP 3.97 Upper HN ASP- 44 - HG LEU 45 4.86 16 0.43 0.88 ++ +++ * ++++++++++ # peak 844 # SUP 3.78 Upper HA PRO 46 - HN GLY 49 5.19 7 0.10 0.72 + + * ++ + + # peak 871 # SUP 2.43 Upper HN GLY 49 - QE TYR 59 5.12 14 0.24 0.70 ++* +++++++ + + ++ # peak 873 # SUP 2.80 Upper HA GLU- 40 - HN PHE 41 3.24 16 0.22 0.35 ++ ++++ +++++++++ * # peak 931 # SUP 3.43 Upper HG3 PRO 37 - HN PHE 41 4.51 14 0.16 0.36 +++++++ ++++ ++ * # peak 937 # SUP 1.95 Upper HN GLU- 91 - HG2 GLU- 93 4.14 15 0.23 0.65 * + ++++ +++ ++++++ # peak 941 # SUP 1.09 Upper HN ASN 65 - HB3 LEU 66 5.50 6 0.05 0.19 * + + +++ # peak 1512 # SUP 6.34 HN ASN 65 - HB3 LYS+ 67 # SUP 1.50 Upper QD2 LEU 54 - HN LEU 66 4.53 9 0.12 0.39 * + + + ++ + + + # peak 1518 # SUP 2.22 Upper HA LYS+ 80 - HA VAL 84 3.68 15 0.31 0.67 +++ +++ +++ +++ ++* # peak 108 # SUP 2.10 HA GLN 81 - HA VAL 84 # SUP 2.52 Upper HA LYS+ 80 - HD3 LYS+ 80 4.40 18 0.19 0.29 +++++++ +++*++++++ + # peak 218 # SUP 6.72 Upper HB3 GLN 81 - HA GLN 89 4.08 17 0.28 0.67 + ++*++++++ +++++++ # peak 264 # SUP 1.02 Upper HA GLU- 40 - HB3 GLU- 93 3.42 6 0.07 0.28 + ++++* # peak 277 # SUP 0.75 HG2 PRO 37 - HA GLU- 40 # SUP 2.80 Upper HA GLU- 40 - HG3 LYS+ 80 4.03 8 0.08 0.28 + + + *+++ + # peak 280 # SUP 2.99 HA GLU- 40 - HD2 LYS+ 80 # SUP 2.52 HA GLU- 40 - HG2 LYS+ 80 # SUP 2.99 Upper HG LEU 45 - HA LEU 50 3.99 15 0.51 0.95 + ++++++* ++++ + ++ # peak 316 # SUP 3.04 Upper HB2 PRO 43 - HA ASP- 44 4.31 19 0.42 0.67 *+ +++++++++++++++++ # peak 347 # SUP 2.80 HB3 PRO 37 - HA ASP- 44 # SUP 0.89 Upper HD2 PRO 37 - HD2 PRO 43 2.40 15 0.20 0.62 +++++++ + + + ++ +*+ # peak 391 # SUP 3.64 Upper HG2 ARG+ 71 - HD3 ARG+ 71 2.61 8 0.09 0.24 + ++ + * + + + # peak 477 # SUP 3.82 Upper HA GLU- 40 - HG2 GLU- 93 3.82 13 0.14 0.35 +++ + + +*++ ++ ++ # peak 568 # SUP 0.75 Upper HG2 GLN 81 - HA GLN 89 3.96 7 0.10 0.70 + ++ + ++* # peak 595 # SUP 4.28 Upper HB2 ARG+ 71 - HB3 SER 72 4.24 10 0.07 0.17 + + + +*+ ++++ # peak 678 # SUP 4.03 Upper HA GLU- 40 - HG3 LYS+ 80 4.24 10 0.10 0.33 +*+++++ ++ + # peak 868 # SUP 2.99 HG3 LYS+ 80 - HA VAL 84 # SUP 1.07 HA GLU- 40 - HG2 LYS+ 80 # SUP 2.99 HG2 LYS+ 80 - HA VAL 84 # SUP 1.02 Upper HB3 LEU 54 - HB3 LEU 66 3.08 10 0.19 0.69 ++ + + + * + +++ # peak 1109 # SUP 4.71 HB3 LEU 66 - HG2 LYS+ 67 # SUP 6.59 HB2 LEU 54 - HB3 LEU 66 # SUP 5.22 Upper HG LEU 54 - HB3 LEU 66 3.47 6 0.11 0.63 + + + *+ + # peak 1110 # SUP 4.56 Upper HG LEU 45 - QD2 LEU 50 4.02 13 0.16 0.37 +++ + ++*+++ + + + # peak 1260 # SUP 2.87 Upper HG LEU 45 - HG LEU 50 3.43 17 0.26 0.98 + +++++*+++++++++ + # peak 1272 # SUP 3.28 Upper HA LEU 54 - QD2 LEU 54 3.46 7 0.15 0.55 + * + +++ + # peak 1355 # SUP 6.30 Upper HA ARG+ 78 - HD3 ARG+ 78 4.29 6 0.08 0.29 ++ * +++ # peak 1460 # SUP 5.19 HA HIS 75 - HD3 ARG+ 78 # SUP 0.82 Upper HB2 ARG+ 58 - HG2 LYS+ 76 4.29 8 0.10 0.44 + ++ *+ + ++ # peak 1520 # SUP 1.50 Upper HB2 CYS 56 - HB3 ARG+ 58 5.48 10 0.14 0.50 + ++ +*+ +++ + # peak 1521 # SUP 2.66 HB3 ARG+ 58 - HB2 PHE 60 # SUP 2.63 Upper HA PHE 60 - HB ILE 61 5.05 19 0.44 0.66 +*+++ ++++++++++++++ # peak 1577 # SUP 6.06 Upper HG12 ILE 61 - HA ASN 65 5.22 12 0.13 0.52 + + *+++++ ++ + + # peak 1584 # SUP 2.63 Upper HN GLU- 40 - HB3 PHE 41 4.70 12 0.23 0.60 + + ++++ +++++ * # peak 1618 # SUP 2.06 HN GLU- 40 - HB2 PHE 41 # SUP 2.36 Upper HA2 GLY 48 - QD1 LEU 50 4.79 6 0.11 0.48 + ++ + + * # peak 1680 # SUP 2.29 Upper HB3 ASP- 42 - HB3 LEU 45 5.06 6 0.08 0.29 + * ++++ # peak 1703 # SUP 4.44 Upper HA PHE 41 - HB3 ASP- 42 5.50 6 0.05 0.16 + + + ++ * # peak 1711 # SUP 4.20 Upper HA PHE 41 - HB2 ASP- 42 5.50 7 0.05 0.15 + + + * + ++ # peak 1712 # SUP 4.03 Upper HB2 LEU 45 - HG3 ARG+ 78 4.88 20 0.30 0.66 ++++++*+++++++++++++ # peak 1734 # SUP 1.50 Upper HB2 TYR 59 - HB3 GLN 81 5.50 15 0.16 0.38 +++ ++ + *++++++++ # peak 1771 # SUP 0.75 HB3 PRO 46 - HB2 TYR 59 # SUP 2.64 Upper HB2 PHE 41 - HB3 ASP- 42 5.50 8 0.09 0.29 + +++ ++ *+ # peak 1836 # SUP 3.33 HB3 PHE 41 - HB3 ASP- 42 # SUP 3.95 HB2 PHE 41 - HB2 PRO 43 # SUP 0.92 Upper HN GLU- 90 - HB3 GLU- 93 4.66 16 0.29 0.49 *+++++ +++ ++++ +++ # peak 1854 # SUP 2.24 Upper HB3 ARG+ 52 - QE PHE 60 5.02 18 0.22 0.50 ++ +++++++ ++++++++* # peak 1870 # SUP 6.68 HB3 ARG+ 52 - QE TYR 59 # SUP 5.29 Upper HD3 ARG+ 52 - QE PHE 60 4.34 7 0.10 0.41 + + ++ + * + # peak 1879 # SUP 5.74 HD3 ARG+ 52 - QE TYR 59 # SUP 3.74 Upper HA THR 68 - HG2 ARG+ 71 4.60 12 0.14 0.42 +++++ + +++ + +* # peak 1881 # SUP 3.23 HD3 LYS+ 67 - HA THR 68 # SUP 4.66 HG2 LYS+ 67 - HA THR 68 # SUP 6.27 Upper HE3 LYS+ 67 - HA THR 68 4.84 12 0.14 0.30 +*+ ++++ + + +++ # peak 1882 # SUP 4.50 HA THR 68 - HB3 HIS 69 # SUP 5.58 Upper HA THR 68 - HG3 ARG+ 71 4.15 12 0.16 0.37 ++ +++ + + ++* + + # peak 1886 # SUP 4.74 Upper HA THR 68 - HD3 ARG+ 71 4.49 8 0.15 0.52 + + *++ +++ # peak 1888 # SUP 3.01 Upper HA THR 68 - HA HIS 69 4.37 20 0.41 0.46 ++++++++++++++++*+++ # peak 1891 # SUP 5.43 Upper HG LEU 66 - HN LYS+ 67 4.67 14 0.17 0.44 + +++ + +++ *+++++ # peak 1903 # SUP 8.49 Upper HN ARG+ 52 - HG LEU 66 4.31 15 0.30 0.88 +++ *+ +++++ ++++ + # peak 1904 # SUP 3.12 HD21 ASN 65 - HG LEU 66 # SUP 4.17 Upper QD1 LEU 66 - HN HIS 69 4.31 11 0.13 0.34 + + +++++ * +++ # peak 1910 # SUP 5.89 QD1 LEU 66 - QD PHE 70 # SUP 4.30 Upper HG2 ARG+ 52 - QE PHE 60 5.50 7 0.10 0.46 * +++ + + + # peak 1913 # SUP 5.35 HG2 ARG+ 52 - QE TYR 59 # SUP 3.62 Upper HA SER 63 - HB3 LEU 66 4.07 15 0.16 0.31 + +++ *++++ ++++++ # peak 1965 # SUP 4.85 Upper HA SER 63 - HN LYS+ 67 5.02 16 0.25 0.71 ++++++*++ + +++ + ++ # peak 1977 # SUP 4.18 Upper QD2 LEU 45 - HA2 GLY 49 4.68 7 0.09 0.46 + ++ *+ + + # peak 1998 # SUP 3.92 Upper HN ALA 55 - HB3 CYS 56 5.38 19 0.46 0.56 *+++++ +++++++++++++ # peak 2010 # SUP 4.21 Upper HB3 CYS 56 - HB2 ARG+ 58 4.85 17 0.23 0.36 ++*+++ +++ +++ +++++ # peak 2023 # SUP 3.35 HB3 CYS 56 - QD2 LEU 82 # SUP 1.16 HB3 CYS 56 - HG LEU 82 # SUP 1.24 Upper HG3 ARG+ 71 - HB2 HIS 75 3.88 17 0.20 0.40 +++ + +++ +*++++++++ # peak 2027 # SUP 2.60 HG3 ARG+ 71 - HB3 HIS 75 # SUP 2.03 Upper HB2 HIS 51 - HB2 LEU 66 5.05 10 0.12 0.33 + ++ + ++ + +*+ # peak 2029 # SUP 1.55 HB2 HIS 51 - QG2 ILE 61 # SUP 1.64 Upper HB2 HIS 51 - HG LEU 66 4.68 7 0.08 0.22 + + + + +* + # peak 2030 # SUP 2.06 QD1 LEU 50 - HB2 HIS 51 # SUP 3.78 HB2 HIS 51 - QD2 LEU 82 # SUP 0.84 HB2 HIS 51 - QD1 ILE 61 # SUP 0.92 Upper HB3 HIS 51 - QG2 ILE 61 5.50 8 0.09 0.35 + + ++ +++ * # peak 2032 # SUP 1.11 HB3 HIS 51 - HB2 LEU 66 # SUP 1.72 Upper HG3 PRO 37 - HN ASP- 44 4.74 20 0.33 0.43 ++++++++++++++++*+++ # peak 2046 # SUP 2.19 Upper HG3 PRO 37 - HA PRO 43 4.35 20 0.50 0.67 ++*+++++++++++++++++ # peak 2049 # SUP 3.99 HG3 PRO 37 - HA GLU- 40 # SUP 3.41 Upper HN LEU 50 - QD2 LEU 50 4.30 6 0.05 0.21 + ++ + * + # peak 2104 # SUP 7.23 Upper HA LEU 66 - HA HIS 69 4.93 12 0.19 0.53 + + +++++++ ++* # peak 2178 # SUP 2.15 Upper HA GLN 81 - HE21 GLN 81 4.29 6 0.08 0.32 + + + + +* # peak 2217 # SUP 3.79 Upper HB3 SER 83 - HN VAL 84 4.56 8 0.05 0.15 + ++ + + + + * # peak 2223 # SUP 2.62 Upper HB2 CYS 53 - HB3 LEU 66 5.50 18 0.31 0.50 ++++++ +++ +++++++*+ # peak 2233 # SUP 5.44 HB2 CYS 53 - HB3 LEU 82 # SUP 0.39 Upper HE1 HIS 69 - QD1 LEU 79 4.53 7 0.07 0.29 + +++ + *+ # peak 46 # SUP 2.03 Upper QD TYR 87 - HA ALA 92 4.79 9 0.11 0.43 + * +++ ++ + + # peak 77 # SUP 1.83 QD TYR 87 - HA GLN 89 # SUP 0.15 HA VAL 84 - QD TYR 87 # SUP 0.75 Upper HA1 GLY 49 - QD TYR 59 4.61 6 0.14 0.50 + *+ + + + # peak 85 # SUP 2.11 Upper QD TYR 59 - HA ARG+ 78 5.31 19 0.24 0.53 ++++++ +++++++++++*+ # peak 95 # SUP 2.08 QD TYR 59 - HA LYS+ 80 # SUP 0.31 Upper HB3 CYS 53 - QD PHE 70 4.86 19 0.26 0.54 +++++*+++++++++++++ # peak 136 # SUP 0.75 Upper HB2 ARG+ 58 - QD PHE 70 4.43 13 0.14 0.28 +++ ++ +++*+++ + # peak 139 # SUP 0.75 HG LEU 66 - QD PHE 70 # SUP 1.70 Upper QD PHE 70 - QD2 LEU 79 4.80 13 0.31 0.97 +++ *+++ ++ ++++ # peak 140 # SUP 1.80 QD2 LEU 66 - QD PHE 70 # SUP 1.42 Upper HN ARG+ 58 - QE PHE 70 4.21 9 0.09 0.29 + + * ++++ ++ # peak 166 # SUP 0.87 HN LEU 66 - QE PHE 70 # SUP 3.38 QE PHE 70 - HN ARG+ 71 # SUP 6.74 Upper HA1 GLY 49 - QE TYR 59 4.41 7 0.13 0.44 + + +* + + + # peak 219 # SUP 3.51 Upper QE TYR 59 - HG2 ARG+ 78 4.46 8 0.11 0.35 + + + * ++ + + # peak 224 # SUP 0.75 QE TYR 59 - HB2 LEU 79 # SUP 1.03 QB ALA 57 - QE TYR 59 # SUP 0.24 Angle PHI ASP- 42 231.00 279.00 8 3.43 10.06 + + + + ++ + * Angle PSI PRO 46 122.00 150.00 6 3.42 15.22 * + + ++ + Angle PSI HIS 51 112.00 150.00 15 7.78 15.20 + +*++++++ + ++++ + Angle PHI ALA 55 283.00 303.00 19 13.62 20.21 ++++++ ++++++++*++++ Angle PSI ARG+ 58 142.00 170.00 19 7.90 12.18 ++++++++++++++* ++++ Angle PHI TYR 59 206.00 254.00 20 10.84 17.06 +++++++++++++++++++* Angle PHI PHE 60 220.00 256.00 14 5.50 8.30 + ++++ + + ++++ + *+ Angle PSI PHE 60 142.00 176.00 16 7.08 10.74 + +*++++++ + ++++++ Angle PHI ASN 65 287.00 307.00 9 4.66 9.67 +++++ ++ * + Angle PSI ASN 65 309.00 335.00 16 6.87 10.86 ++++++++ + +* +++++ Angle PHI LEU 66 285.00 305.00 6 3.63 11.22 + + + * ++ Angle PSI LEU 66 307.00 327.00 7 4.25 8.73 + *+ + +++ Angle PSI THR 68 309.00 329.00 10 4.27 9.10 *++++ ++ ++ + Angle PSI LYS+ 76 310.00 330.00 13 6.07 9.02 + + *++ + +++++++ Angle PHI LYS+ 77 285.00 305.00 13 5.46 10.73 +++* + +++ ++ +++ Angle PSI LEU 79 310.00 330.00 17 7.44 14.14 ++ ++++++++++*+ +++ Angle PHI LYS+ 80 286.00 306.00 19 8.26 13.90 ++++++ +++++*+++++++ Angle PHI GLU- 91 273.00 305.00 8 3.14 7.43 * + + ++ + + + 113 violated distance constraints. 18 violated angle constraints. RMSDs for residues 40..82: Average backbone RMSD to mean : 0.62 +/- 0.10 A (0.45..0.76 A) Average heavy atom RMSD to mean : 1.20 +/- 0.17 A (1.00..1.71 A)