Structural statistics: str target upper limits van der Waals torsion angles function # sum max # sum max # sum max 1 23.52 92 33.4 1.01 13 19.7 0.58 12 173.2 16.25 2 23.69 94 33.0 0.96 17 19.0 0.49 15 206.0 18.62 3 23.78 86 32.4 0.95 18 20.3 0.45 13 160.5 22.06 4 24.36 77 29.3 1.50 14 18.1 0.43 18 230.6 24.41 5 24.93 85 33.1 0.96 17 20.8 0.44 18 222.6 20.76 6 26.26 95 35.7 1.05 22 18.7 0.44 18 211.9 18.81 7 26.83 87 34.9 0.95 21 20.0 0.59 18 211.5 22.81 8 27.02 88 34.4 0.93 24 21.8 0.43 14 209.1 24.98 9 27.47 92 35.0 1.04 25 22.6 0.55 20 234.6 23.40 10 27.73 87 35.3 1.00 19 21.3 0.51 19 220.3 20.19 11 27.84 87 33.8 0.97 27 22.6 0.46 17 239.5 25.47 12 28.14 92 34.6 1.14 23 24.4 0.70 17 235.2 28.28 13 28.18 98 36.2 0.98 21 23.0 0.56 13 195.0 20.69 14 28.40 80 32.9 1.52 17 20.4 0.53 18 220.2 23.01 15 28.46 101 36.3 1.16 27 23.4 0.54 12 199.7 21.06 16 28.55 89 33.7 1.20 26 22.6 0.61 13 227.2 30.36 17 28.76 93 34.5 1.22 24 22.4 0.45 18 236.5 27.72 18 29.01 98 37.1 1.06 28 23.5 0.55 15 195.0 21.33 19 29.04 82 34.0 1.44 23 21.1 0.54 18 224.9 21.46 20 29.05 98 38.0 0.95 31 21.8 0.48 16 198.6 22.24 Ave 27.05 90 34.4 1.10 22 21.4 0.52 16 212.6 22.69 +/- 1.89 6 1.8 0.18 5 1.7 0.07 2 20.6 3.36 Min 23.52 77 29.3 0.93 13 18.1 0.43 12 160.5 16.25 Max 29.05 101 38.0 1.52 31 24.4 0.70 20 239.5 30.36 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 QD2 LEU 54 - HN ALA 55 4.67 8 0.11 0.40 + + *+ ++ + + # peak 27 # SUP 5.91 Upper HN GLU- 40 - HG3 ARG+ 78 4.04 14 0.24 0.60 + ++ +++ ++ ++++*+ # peak 277 # SUP 4.39 Upper HN PHE 60 - HN ASN 65 5.45 18 0.55 0.83 ++++++ ++++ +*++++++ # peak 324 # SUP 0.02 HN HIS 51 - HN PHE 60 # SUP 0.02 Upper HN PHE 60 - HB ILE 61 4.48 9 0.14 0.53 + + ++ ++++* # peak 325 # SUP 5.45 HG3 PRO 46 - HN PHE 60 # SUP 1.14 Upper HB3 TYR 59 - HN ILE 61 4.65 20 0.90 1.09 ++++++++++++++++*+++ # peak 461 # SUP 3.64 Upper QD2 LEU 54 - HN ALA 57 4.84 7 0.12 0.47 + + + ++ + * # peak 476 # SUP 0.99 HN ALA 57 - QD2 LEU 82 # SUP 1.37 Upper HB2 CYS 53 - HN ALA 57 4.94 8 0.08 0.35 + + + + + ++* # peak 477 # SUP 3.53 Upper HN HIS 69 - HB3 PHE 70 4.83 19 0.28 0.54 +++++++++++ +++++*++ # peak 491 # SUP 5.61 Upper HN HIS 75 - HB3 LYS+ 77 3.74 19 0.24 0.39 ++++*+++++ +++++++++ # peak 519 # SUP 4.39 HN HIS 75 - HB3 LYS+ 76 # SUP 4.97 HN HIS 75 - HB2 ARG+ 78 # SUP 1.46 Upper HG LEU 79 - HN LYS+ 80 4.59 13 0.23 0.57 ++ + ++*+ + ++ +++ # peak 550 # SUP 7.84 Upper HG3 ARG+ 78 - HN LYS+ 80 3.99 20 0.60 1.52 +++++++++++++*++++++ # peak 551 # SUP 3.80 Upper HG2 LYS+ 77 - HN LEU 79 3.81 20 0.65 0.84 *+++++++++++++++++++ # peak 578 # SUP 2.92 Upper HN LEU 79 - HG LEU 79 3.86 15 0.32 0.60 +++++ ++++*+ ++ + + # peak 585 # SUP 8.28 Upper HN LEU 79 - HG3 LYS+ 80 3.96 11 0.14 0.37 ++*++++ ++ ++ # peak 588 # SUP 6.21 HN LEU 79 - HG2 LYS+ 80 # SUP 6.46 HN LEU 79 - HD2 LYS+ 80 # SUP 5.27 Upper HN LEU 50 - HE ARG+ 52 5.29 9 0.13 0.57 +* ++ +++ ++ # peak 604 # SUP 0.54 Upper HB2 CYS 56 - HN ARG+ 58 4.61 8 0.07 0.23 + *++ + ++ + # peak 656 # SUP 5.58 HN ARG+ 58 - HB2 PHE 60 # SUP 4.33 Upper HN ARG+ 58 - HB2 PHE 60 4.97 20 0.69 0.96 +++++++++++++++++*++ # peak 661 # SUP 4.33 HB3 CYS 53 - HN ARG+ 58 # SUP 1.05 Upper QD1 LEU 50 - HN ARG+ 52 4.22 18 0.44 0.75 ++++++++*++++++ +++ # peak 737 # SUP 1.94 HN ARG+ 52 - QD2 LEU 82 # SUP 0.61 HN ARG+ 52 - QD1 ILE 61 # SUP 0.55 Upper HN ARG+ 52 - HB2 LEU 79 4.36 20 0.66 1.44 ++++++++++++++++++*+ # peak 739 # SUP 4.78 HN ARG+ 52 - HG2 ARG+ 78 # SUP 3.51 Upper HN ARG+ 52 - HN CYS 53 4.17 20 0.24 0.30 ++++++++++++++++++*+ # peak 741 # SUP 4.49 Upper HN ARG+ 52 - QD TYR 59 5.18 14 0.24 0.82 +++ +*++++ ++++ + # peak 748 # SUP 3.71 Upper HN ARG+ 52 - QD2 LEU 79 5.45 8 0.11 0.55 + * + +++ ++ # peak 749 # SUP 1.20 Upper HN CYS 53 - HB2 LEU 79 4.30 14 0.26 0.69 ++ +*++++ ++ + +++ # peak 755 # SUP 3.25 HN CYS 53 - HG2 ARG+ 78 # SUP 4.12 HN CYS 53 - QB ALA 55 # SUP 1.42 Upper HN CYS 53 - HN ARG+ 58 4.54 20 0.25 0.43 +*++++++++++++++++++ # peak 757 # SUP 0.72 Upper HN CYS 53 - QD2 LEU 82 4.74 8 0.15 0.55 * + ++ ++ ++ # peak 761 # SUP 0.24 HN CYS 53 - HG LEU 82 # SUP 1.88 HN CYS 53 - HG LEU 66 # SUP 0.75 QD1 LEU 50 - HN CYS 53 # SUP 0.66 Upper HN CYS 53 - QD PHE 60 4.63 15 0.19 0.41 ++++ + ++ + +*+ ++++ # peak 763 # SUP 1.79 Upper HN CYS 53 - QD1 LEU 66 4.59 15 0.18 0.31 + + ++ ++*+++++ +++ # peak 764 # SUP 0.75 Upper HN ARG+ 78 - HG3 ARG+ 78 3.89 11 0.19 0.52 +++ + * + + +++ + # peak 767 # SUP 7.63 Upper HG LEU 54 - HN ALA 55 4.72 15 0.24 0.47 +++++ ++++ + *++++ # peak 799 # SUP 5.66 Upper HN TYR 59 - HB2 PHE 60 4.88 18 0.74 1.00 +++++++++++ +++ +*++ # peak 821 # SUP 7.60 Upper HN ASP- 44 - HG LEU 45 4.91 9 0.17 0.56 ++ ++ ++ *+ + # peak 844 # SUP 3.78 HN ASP- 44 - HB3 LEU 50 # SUP 0.30 Upper HA PRO 46 - HN GLY 49 5.24 11 0.25 0.61 ++ *++ ++ ++++ # peak 871 # SUP 2.06 Upper HA TYR 59 - HN ASP- 62 5.17 20 0.69 0.92 ++++++++++++++++*+++ # peak 887 # SUP 3.80 Upper HN PHE 41 - HG3 ARG+ 78 4.43 13 0.26 0.74 + +++ ++ + +++ * ++ # peak 934 # SUP 3.40 Upper HN PHE 41 - HB2 ARG+ 78 4.55 8 0.10 0.65 + +++ + * + + # peak 937 # SUP 2.35 Upper HN PHE 41 - HG2 ARG+ 78 4.85 11 0.12 0.40 + +++ +++*+++ # peak 938 # SUP 4.41 HN PHE 41 - HG2 LYS+ 77 # SUP 2.62 Upper HN HIS 69 - HZ PHE 70 5.04 20 0.33 0.50 +++*++++++++++++++++ # peak 1234 # SUP 4.71 Upper HN GLU- 40 - HN LEU 79 5.05 6 0.07 0.32 ++ * + + + # peak 1292 # SUP 1.66 Upper QD2 LEU 54 - HN LEU 66 4.58 12 0.28 0.89 + +++ +++ +* ++ + # peak 1518 # SUP 2.29 Upper HA LYS+ 80 - HD3 LYS+ 80 4.22 13 0.23 0.63 +*++++ ++++ ++ + # peak 218 # SUP 5.61 Upper HA GLU- 40 - HD3 LYS+ 77 3.22 15 0.21 0.55 +++ ++++ *+ ++++++ # peak 288 # SUP 1.65 Upper HA CYS 56 - HD3 ARG+ 58 5.50 13 0.18 0.62 ++++*+ +++ ++++ # peak 453 # SUP 0.24 Upper QD1 LEU 54 - HB3 LEU 66 3.33 11 0.29 0.73 ++ + +++ +* ++ + # peak 522 # SUP 6.30 Upper QD2 LEU 54 - HB3 LEU 66 3.50 6 0.05 0.24 + + + ++ * # peak 523 # SUP 7.15 Upper HB3 SER 72 - HB3 LYS+ 73 3.17 20 0.44 0.69 ++++++++++*+++++++++ # peak 638 # SUP 3.61 HA SER 72 - HB3 LYS+ 73 # SUP 3.77 Upper HD2 LYS+ 77 - HD3 LYS+ 80 3.45 12 0.28 0.68 ++ + + + +++ ++*+ # peak 715 # SUP 0.35 HG3 LYS+ 76 - HD2 LYS+ 77 # SUP 2.71 Upper HA GLU- 40 - HD3 LYS+ 80 4.12 16 0.31 0.67 + +++ ++ ++*+++ ++++ # peak 727 # SUP 1.84 Upper HG LEU 45 - HB2 TYR 59 4.98 20 0.59 1.16 ++++++++++++++*+++++ # peak 822 # SUP 0.64 HG LEU 45 - HB2 PHE 60 # SUP 0.38 Upper HD3 LYS+ 77 - HG2 LYS+ 80 2.87 8 0.11 0.36 + + + *++ ++ # peak 871 # SUP 1.32 HD3 LYS+ 77 - HG3 LYS+ 80 # SUP 0.84 Upper HA LEU 79 - QD1 LEU 79 3.47 14 0.17 0.48 +++++* ++ ++ ++ ++ # peak 939 # SUP 6.00 Upper HG LEU 54 - HB3 LEU 66 3.33 8 0.21 0.72 + + ++ *+ + + # peak 1110 # SUP 5.10 Upper HG LEU 45 - QD2 LEU 50 3.86 15 0.30 0.83 + ++++ +++++*++ ++ # peak 1260 # SUP 3.63 Upper HG LEU 45 - QD1 LEU 50 3.70 10 0.14 0.73 + +++* + + +++ # peak 1341 # SUP 3.31 Upper HA LEU 54 - HB3 LEU 66 3.30 11 0.18 0.91 + + ++ + +* +++ + # peak 1349 # SUP 6.41 Upper HA SER 72 - HB3 SER 72 2.45 16 0.14 0.26 ++++++++ +++* + +++ # peak 1431 # SUP 3.34 HA ARG+ 71 - HA SER 72 # SUP 3.01 Upper HA ARG+ 78 - HD2 ARG+ 78 4.03 6 0.14 0.62 ++* ++ + # peak 1459 # SUP 5.74 Upper HA PHE 70 - HG3 ARG+ 71 4.69 20 0.40 0.92 +++*++++++++++++++++ # peak 1504 # SUP 4.47 Upper HB3 PHE 70 - HB3 LYS+ 76 4.69 17 0.39 0.72 ++++++* ++++++++++ # peak 1507 # SUP 1.78 HB3 LYS+ 67 - HB3 PHE 70 # SUP 1.87 HB3 LEU 66 - HB3 PHE 70 # SUP 1.59 Upper HN HIS 69 - HA PHE 70 4.66 20 0.49 0.59 ++++++++++++++++++*+ # peak 1514 # SUP 4.46 Upper HA GLU- 40 - HD3 ARG+ 78 4.06 8 0.16 0.94 ++ + +* + + + # peak 1540 # SUP 2.49 Upper HA PHE 60 - HB ILE 61 4.85 20 0.62 0.72 +++++*++++++++++++++ # peak 1577 # SUP 4.07 HA TYR 59 - HB ILE 61 # SUP 2.77 Upper HG12 ILE 61 - HA ASP- 62 4.93 8 0.12 0.57 ++++ + *+ + # peak 1583 # SUP 4.26 Upper HB2 PHE 41 - QD2 LEU 50 4.66 11 0.15 0.50 +*+ ++++ + +++ # peak 1611 # SUP 3.27 HB3 PHE 41 - QD2 LEU 50 # SUP 3.48 Upper HB2 PHE 41 - HN LEU 50 4.05 9 0.13 0.66 + ++ + + ++ *+ # peak 1616 # SUP 3.20 HB3 PHE 41 - HN LEU 50 # SUP 3.62 Upper HN ALA 55 - HB3 LEU 66 4.49 20 0.48 0.92 ++++++*+++++++++++++ # peak 1638 # SUP 4.25 Upper HA LYS+ 76 - HB2 LEU 79 4.92 6 0.15 0.64 * + + + ++ # peak 1657 # SUP 2.25 Upper HB2 ASP- 42 - HG LEU 45 4.77 7 0.08 0.38 +++ +* + + # peak 1701 # SUP 3.64 HB2 ASP- 42 - HB3 LEU 50 # SUP 0.43 HG2 ARG+ 52 - HB2 PHE 60 # SUP 4.26 Upper HB2 ASP- 42 - QD1 LEU 45 4.27 9 0.12 0.51 +++++ *+ + + # peak 1702 # SUP 5.55 Upper HB3 ASP- 42 - QD1 LEU 45 4.45 7 0.08 0.26 +++ + * ++ # peak 1706 # SUP 4.71 Upper HB2 ARG+ 52 - HB2 TYR 59 5.08 20 0.74 1.22 ++++++++++++++++*+++ # peak 1767 # SUP 2.69 Upper HD3 PRO 46 - HB2 TYR 59 4.98 17 0.23 0.55 +++++++ +++*+++++ + # peak 1775 # SUP 3.03 HB2 TYR 59 - HB2 PHE 60 # SUP 5.90 HD3 ARG+ 58 - HB2 TYR 59 # SUP 3.64 Upper HN PHE 60 - HB3 ASN 65 3.90 20 0.92 1.08 ++++++++++++++++*+++ # peak 1787 # SUP 1.64 Upper QD PHE 60 - HB3 ASN 65 3.54 8 0.11 0.38 +++*+ + + + # peak 1790 # SUP 4.72 Upper HN ALA 55 - HB2 CYS 56 4.95 7 0.09 0.37 ++ ++ * + + # peak 1826 # SUP 4.22 Upper HB3 LYS+ 73 - HB3 ASP- 74 4.67 11 0.17 0.58 + +++ ++ + +*+ + # peak 1833 # SUP 3.87 HB3 ASP- 74 - HB3 LYS+ 77 # SUP 1.79 HB3 ASP- 74 - HB2 ARG+ 78 # SUP 0.55 HB3 ASP- 74 - HB3 LYS+ 76 # SUP 1.21 Upper HB3 LYS+ 73 - HB2 ASP- 74 4.78 13 0.17 0.49 + +++* ++ ++++ ++ # peak 1834 # SUP 3.87 HB2 ASP- 74 - HB3 LYS+ 77 # SUP 1.72 Upper HD3 ARG+ 52 - QE TYR 59 4.16 9 0.13 0.45 + + ++ + +* ++ # peak 1879 # SUP 3.00 HD3 ARG+ 52 - QE PHE 60 # SUP 3.50 Upper HA THR 64 - HG2 LYS+ 67 4.41 6 0.06 0.25 ++ * + + + # peak 1881 # SUP 1.37 Upper HA THR 68 - HA HIS 69 4.19 20 0.51 0.57 +++*++++++++++++++++ # peak 1891 # SUP 4.60 HA THR 68 - HB2 SER 72 # SUP 1.20 Upper QD1 LEU 66 - HB2 HIS 69 4.27 13 0.16 0.34 +++ ++ *++++++ + # peak 1898 # SUP 4.59 HB2 PHE 60 - QD1 LEU 66 # SUP 5.29 Upper QD PHE 60 - QD1 LEU 66 3.84 13 0.27 1.20 ++++ +++ ++ +* ++ # peak 1908 # SUP 3.98 Upper QD1 LEU 66 - HN HIS 69 4.14 16 0.17 0.31 + *+++ +++++ ++++ ++ # peak 1910 # SUP 7.58 Upper HN CYS 53 - QD1 LEU 66 4.65 9 0.09 0.22 + ++++ +*+ + # peak 1912 # SUP 0.75 HD21 ASN 65 - QD1 LEU 66 # SUP 4.04 Upper HG2 LYS+ 73 - HA ASP- 74 4.98 6 0.09 0.50 + * + ++ + # peak 1929 # SUP 2.65 Upper HA GLU- 40 - HG2 LYS+ 77 4.47 9 0.13 0.60 +++ + + ++*+ # peak 1931 # SUP 3.53 Upper QE PHE 60 - HB3 HIS 69 5.28 10 0.14 0.37 + + ++ + * + ++ + # peak 1942 # SUP 1.50 Upper HB2 HIS 69 - HZ PHE 70 5.50 13 0.23 0.45 + ++++ +++++*+ + # peak 1945 # SUP 3.90 Upper HD3 ARG+ 78 - HG LEU 79 4.15 14 0.34 0.87 + *+++ +++++ ++++ # peak 1951 # SUP 4.20 HD3 ARG+ 58 - HG LEU 79 # SUP 0.02 Upper HG3 ARG+ 52 - HG2 ARG+ 78 3.89 10 0.16 0.41 + +++ * ++ + + + # peak 1957 # SUP 3.81 HG3 ARG+ 52 - HB2 LEU 79 # SUP 4.70 Upper HA SER 63 - HB3 LEU 66 3.91 6 0.08 0.39 + ++ + + * # peak 1965 # SUP 3.95 Upper HA SER 63 - HG LEU 66 4.40 14 0.18 0.37 ++* + ++++++++ ++ # peak 1967 # SUP 3.04 Upper HA SER 63 - HN LYS+ 67 4.82 17 0.26 0.65 ++ +++*++ ++++++ +++ # peak 1977 # SUP 2.84 Upper HB3 ASP- 42 - QD2 LEU 45 4.40 7 0.15 0.60 + + *+ +++ # peak 1995 # SUP 5.87 Upper QD2 LEU 45 - QE TYR 59 4.51 9 0.14 0.92 +++ ++ + + +* # peak 2003 # SUP 2.12 QD2 LEU 45 - QE PHE 60 # SUP 0.64 Upper HN ALA 55 - HB3 CYS 56 5.16 9 0.14 0.52 + +*+ + ++ + + # peak 2010 # SUP 4.22 Upper HG3 PRO 43 - HN ASP- 44 4.46 7 0.10 0.34 ++* + +++ # peak 2045 # SUP 4.25 HN LYS+ 77 - HG3 ARG+ 78 # SUP 3.88 HE1 HIS 69 - HG3 ARG+ 78 # SUP 0.70 Upper QD1 LEU 45 - HD2 PRO 46 3.89 15 0.22 0.49 ++++++ +*++ +++ + + # peak 2055 # SUP 7.39 Upper HA2 GLY 48 - HN LEU 50 4.94 20 0.65 0.98 ++++++++++++++++++*+ # peak 2085 # SUP 3.50 Upper QD2 LEU 79 - HA LYS+ 80 5.01 13 0.26 0.59 ++ +++*+ + +++ + + # peak 2111 # SUP 5.30 HA ARG+ 78 - QD2 LEU 79 # SUP 5.88 Upper HE ARG+ 52 - QD2 LEU 79 4.56 8 0.10 0.36 + *+++ ++ + # peak 2113 # SUP 0.22 Upper HA LEU 66 - HA HIS 69 4.74 20 0.41 0.73 ++++++++++++++*+++++ # peak 2178 # SUP 2.18 Upper HA LYS+ 73 - HN ARG+ 78 4.39 20 0.41 0.68 +++++++*++++++++++++ # peak 2185 # SUP 1.63 Upper HA LYS+ 73 - HG2 LYS+ 77 4.19 17 0.22 0.41 ++* ++ +++++++++ +++ # peak 2187 # SUP 4.37 Upper HA LYS+ 67 - HB3 PHE 70 4.37 10 0.13 0.38 + ++++ + + *++ # peak 2189 # SUP 4.54 Upper HN GLN 81 - HG3 GLN 81 4.19 7 0.10 0.34 + ++ + +* + # peak 2210 # SUP 5.35 Upper HB3 ASP- 74 - HE1 HIS 75 4.34 9 0.12 0.49 + + + + +* + + + # peak 52 # SUP 1.79 Upper HG3 ARG+ 71 - HE1 HIS 75 4.80 10 0.23 0.57 + +++ *+ + ++ + # peak 54 # SUP 1.68 Upper QD TYR 59 - HB2 PHE 60 3.72 19 0.43 0.91 ++++++++*++++++ ++++ # peak 88 # SUP 5.63 HD2 ARG+ 58 - QD TYR 59 # SUP 5.22 Upper HB2 LEU 45 - QD TYR 59 4.99 14 0.24 0.70 ++ ++++ +++ + ++ +* # peak 94 # SUP 0.02 QD2 LEU 54 - QD TYR 59 # SUP 0.02 QD TYR 59 - HG LEU 82 # SUP 0.02 Upper QD PHE 60 - HN ASN 65 4.74 7 0.07 0.19 + + + * + + + # peak 116 # SUP 4.52 Upper HB3 CYS 53 - QD PHE 70 4.95 8 0.13 0.51 + + * + + +++ # peak 136 # SUP 2.24 Upper QD PHE 70 - QD2 LEU 79 4.90 11 0.12 0.40 + ++++ + + ++*+ # peak 140 # SUP 1.32 Upper QE PHE 60 - HN LEU 66 4.39 17 0.41 0.83 ++++++ ++++ +++ *+++ # peak 148 # SUP 2.89 Upper QE PHE 60 - HB2 HIS 69 4.72 16 0.25 0.46 ++++++ ++*+ +++ ++ + # peak 154 # SUP 3.93 HB3 TYR 59 - QE PHE 60 # SUP 7.30 Upper QE PHE 60 - HG LEU 66 4.55 8 0.22 0.81 * + +++ ++ + # peak 157 # SUP 2.53 QE PHE 60 - QD1 ILE 61 # SUP 3.67 Upper QE PHE 60 - HZ PHE 70 5.46 15 0.18 0.39 ++ *++ +++ +++ ++++ # peak 174 # SUP 1.50 Upper QD1 LEU 45 - QE TYR 59 4.28 17 0.37 0.59 ++++*++++++ +++ ++ + # peak 228 # SUP 2.00 Upper HB2 PHE 60 - HZ PHE 60 5.41 11 0.13 0.25 +++++ + * + +++ # peak 255 # SUP 4.83 HB3 CYS 53 - HZ PHE 60 # SUP 1.00 Angle PHI PHE 41 238.00 286.00 11 6.26 15.88 +++++ ++ ++ *+ Angle PSI PHE 41 114.00 136.00 9 4.44 9.83 + + ++ + + +* + Angle PSI HIS 51 112.00 150.00 15 7.86 16.37 +++++++++ +++ +*+ Angle PSI ARG+ 52 129.00 163.00 20 12.36 17.85 +++++++++++++*++++++ Angle PHI LEU 54 289.00 309.00 18 7.59 13.03 ++++++++++++++* +++ Angle PHI ARG+ 58 210.00 254.00 12 5.66 10.77 ++ +++ * ++ + +++ Angle PSI ARG+ 58 142.00 170.00 20 18.83 27.72 ++++++++++++++++*+++ Angle PHI PHE 60 220.00 256.00 20 17.93 22.81 ++++++*+++++++++++++ Angle PSI PHE 60 142.00 176.00 13 8.79 30.36 +++++++ +++ + * + Angle PHI LEU 66 285.00 305.00 6 3.84 6.98 + + ++* + Angle PSI THR 68 309.00 329.00 20 16.41 25.24 +++++++++++*++++++++ Angle PSI HIS 69 311.00 331.00 9 4.22 9.92 + +*+ ++ +++ Angle PHI PHE 70 266.00 302.00 11 4.87 12.38 +++++ + + + +*+ Angle PSI PHE 70 329.00 5.00 11 5.13 10.60 + +++ ++ ++++ * Angle PSI LYS+ 73 314.00 334.00 12 5.93 11.46 + * + +++ +++++ + Angle PHI ASP- 74 285.00 305.00 14 6.74 20.59 + +++ +++++ *++++ Angle PHI HIS 75 286.00 306.00 20 14.95 25.47 ++++++++++*+++++++++ Angle PSI HIS 75 304.00 324.00 8 4.77 10.39 +++ + +++* Angle PHI LYS+ 77 285.00 305.00 10 5.44 15.76 ++ ++ ++* + + + Angle PHI ARG+ 78 287.00 307.00 15 7.78 13.85 *+ + + ++++ +++ ++++ Angle PSI LEU 79 310.00 330.00 18 11.48 17.97 +++++*+ +++++++++ ++ Angle PHI LYS+ 80 286.00 306.00 7 3.22 12.21 +++ + ++ * 118 violated distance constraints. 22 violated angle constraints. RMSDs for residues 40..82: Average backbone RMSD to mean : 0.73 +/- 0.18 A (0.45..1.22 A) Average heavy atom RMSD to mean : 1.28 +/- 0.25 A (1.01..2.12 A)