Structural statistics: str target upper limits van der Waals torsion angles function # sum max # sum max # sum max 1 12.69 77 23.4 0.74 12 14.4 0.39 8 131.6 14.82 2 12.70 83 24.1 0.65 16 17.0 0.36 9 125.6 10.88 3 14.03 86 26.3 1.10 13 15.0 0.33 9 141.9 11.09 4 14.08 90 24.6 0.89 18 15.7 0.53 10 122.5 12.10 5 14.21 80 25.2 0.79 14 16.8 0.36 11 157.5 13.81 6 14.87 82 25.3 0.62 18 19.5 0.35 12 154.4 13.40 7 15.04 77 23.8 0.88 16 16.7 0.53 13 153.5 11.35 8 15.54 82 26.8 1.15 13 16.4 0.51 10 149.3 13.28 9 15.57 86 27.4 0.75 16 16.4 0.46 12 142.2 11.37 10 15.72 80 26.1 0.74 21 18.8 0.43 8 120.4 10.30 11 15.92 83 25.1 1.11 16 17.7 0.35 17 211.1 19.32 12 16.04 84 26.7 1.02 18 17.2 0.44 10 147.4 14.26 13 16.34 91 25.5 0.66 25 18.3 0.43 13 179.1 11.04 14 16.51 84 25.5 0.62 23 19.9 0.50 9 158.2 15.15 15 16.96 90 28.1 0.64 16 18.4 0.42 14 197.9 12.69 16 17.01 96 28.3 0.68 24 20.4 0.47 11 135.3 10.64 17 17.16 96 28.1 0.72 26 18.2 0.44 13 158.7 11.51 18 17.48 79 26.4 0.75 20 19.3 0.57 12 142.2 11.93 19 17.57 92 28.5 0.91 22 19.5 0.44 12 177.1 16.33 20 17.72 93 28.6 0.72 19 17.5 0.48 14 166.7 12.49 Ave 15.66 86 26.2 0.81 18 17.7 0.44 11 153.6 12.89 +/- 1.49 6 1.6 0.17 4 1.6 0.07 2 23.3 2.19 Min 12.69 77 23.4 0.62 12 14.4 0.33 8 120.4 10.30 Max 17.72 96 28.6 1.15 26 20.4 0.57 17 211.1 19.32 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 3.24 15 0.21 0.40 +++++ ++ + ++ *+ +++ # peak 18 # SUP 3.62 Upper HB3 SER 83 - HN GLN 89 4.66 12 0.20 0.59 + + *+ +++ + +++ + # peak 66 # SUP 1.50 Upper HN ARG+ 94 - HB3 ARG+ 94 3.44 6 0.04 0.14 ++ + + + * # peak 170 # SUP 4.42 Upper HB3 GLU- 93 - HN ARG+ 94 3.87 14 0.21 0.50 +++++++++ + +++ * # peak 173 # SUP 4.52 Upper HA GLU- 93 - HN ARG+ 94 3.46 13 0.13 0.18 + +++++ +++ ++ * + # peak 174 # SUP 4.52 Upper HA GLN 89 - HN GLU- 90 3.32 14 0.19 0.28 +++++*+++ ++++ + # peak 203 # SUP 1.63 HN GLU- 90 - HA ALA 92 # SUP 1.03 HN GLU- 90 - HA GLU- 93 # SUP 1.50 Upper HN GLU- 90 - HG2 GLU- 93 4.05 12 0.18 0.51 ++ ++ +++ +* +++ # peak 204 # SUP 3.07 Upper HN PHE 70 - HG3 ARG+ 71 4.39 7 0.08 0.33 + + + *++ + # peak 247 # SUP 4.50 HN THR 64 - HB3 LEU 66 # SUP 2.29 HB3 LEU 66 - HN PHE 70 # SUP 2.65 Upper HN THR 64 - HA ASN 65 4.55 20 0.44 0.50 ++++*+++++++++++++++ # peak 248 # SUP 2.95 Upper HN TYR 87 - HB3 GLU- 91 3.82 10 0.15 0.62 + ++*+ + +++ + # peak 267 # SUP 2.97 Upper HG3 PRO 37 - HN GLU- 40 3.65 8 0.07 0.22 + + + + ++ *+ # peak 272 # SUP 2.11 Upper HN GLU- 40 - HG3 GLU- 40 4.26 6 0.06 0.27 *+ + + + + # peak 275 # SUP 2.46 Upper QB ALA 92 - HN GLU- 93 3.51 8 0.07 0.18 + + + + + +*+ # peak 297 # SUP 3.52 HN GLU- 93 - QB ALA 96 # SUP 0.84 Upper HG3 PRO 46 - HN PHE 60 4.35 7 0.08 0.24 + + * + +++ # peak 325 # SUP 1.11 HN PHE 60 - HB ILE 61 # SUP 4.98 Upper HA HIS 51 - HN PHE 60 5.23 7 0.07 0.26 +*+ +++ + # peak 328 # SUP 0.71 Upper HN ASN 38 - HB3 GLU- 40 4.11 10 0.14 0.48 ++*+ + ++ + ++ # peak 342 # SUP 1.09 Upper HN LEU 54 - HG LEU 54 4.33 16 0.15 0.26 ++*++ +++ ++ +++++ + # peak 392 # SUP 6.70 Upper HB2 ARG+ 52 - HN LEU 54 4.73 17 0.31 0.74 *+ +++++++ ++++ ++++ # peak 400 # SUP 1.03 HN LEU 54 - HB2 LEU 82 # SUP 0.75 Upper HG3 ARG+ 71 - HN LYS+ 73 4.50 18 0.22 0.50 +++++++++++++ + ++*+ # peak 407 # SUP 1.86 HN LYS+ 73 - HB3 LYS+ 76 # SUP 0.95 HN LYS+ 73 - HB3 LYS+ 77 # SUP 1.46 Upper QD2 LEU 50 - HN HIS 51 4.83 12 0.14 0.36 +++ *+ + +++ + ++ # peak 437 # SUP 6.87 Upper HN HIS 51 - HB2 PHE 60 4.98 18 0.19 0.34 ++++++ +++*+++ +++++ # peak 439 # SUP 1.03 HN HIS 51 - HB3 TYR 59 # SUP 1.24 Upper HN HIS 69 - HB3 PHE 70 4.69 20 0.36 0.58 +*++++++++++++++++++ # peak 491 # SUP 4.75 Upper HB2 LYS+ 80 - HN GLN 81 4.07 7 0.07 0.23 ++ ++ + *+ # peak 511 # SUP 6.91 Upper HN GLN 81 - HG3 GLN 81 4.16 8 0.10 0.43 ++++ * ++ + # peak 512 # SUP 5.65 Upper HN GLN 81 - HG2 GLN 81 4.30 13 0.12 0.24 +++++++ +++*+ + # peak 513 # SUP 5.58 Upper HD3 LYS+ 80 - HN GLN 81 4.71 15 0.20 0.46 +++ +++++++++ * ++ # peak 516 # SUP 6.86 HD3 LYS+ 77 - HN GLN 81 # SUP 0.63 Upper HN HIS 75 - HB3 LYS+ 77 3.63 15 0.15 0.42 + + +*+++ +++++++ + # peak 519 # SUP 6.41 HN HIS 75 - HB3 LYS+ 76 # SUP 5.42 HG3 ARG+ 71 - HN HIS 75 # SUP 4.53 Upper HA PHE 70 - HN HIS 75 5.42 11 0.12 0.33 + +++ + + *+++ + # peak 527 # SUP 1.33 Upper HN HIS 75 - HG2 LYS+ 77 4.89 8 0.08 0.19 + ++ + + + * + # peak 530 # SUP 2.65 HN HIS 75 - HG2 ARG+ 78 # SUP 1.55 Upper HG LEU 79 - HN LYS+ 80 4.46 9 0.27 1.11 +++ +*++ ++ # peak 550 # SUP 7.98 Upper HG3 ARG+ 78 - HN LYS+ 80 3.87 17 0.26 0.47 ++++++++++ ++ *++++ # peak 551 # SUP 3.34 Upper HN ARG+ 71 - HD3 ARG+ 71 4.67 11 0.15 0.32 + * ++ ++ ++++ + # peak 647 # SUP 4.91 Upper HN SER 83 - HN GLU- 85 4.76 15 0.20 0.43 + ++++++ +++++*+ + # peak 673 # SUP 1.32 Upper HN GLY 48 - HA1 GLY 49 4.34 6 0.06 0.20 ++* + + + # peak 694 # SUP 4.00 HN GLY 48 - HA ILE 61 # SUP 1.50 Upper HN GLY 48 - HN LEU 50 4.70 7 0.10 0.56 + + * + +++ # peak 700 # SUP 4.26 Upper HN GLY 47 - HA ILE 61 5.18 6 0.07 0.54 * ++ +++ # peak 707 # SUP 2.49 HN GLY 47 - HA1 GLY 49 # SUP 2.19 Upper HN LEU 66 - HG LEU 66 4.27 6 0.08 0.33 + + * + + + # peak 719 # SUP 7.69 Upper HN ARG+ 52 - HG LEU 66 4.10 20 0.32 0.52 +++++*++++++++++++++ # peak 737 # SUP 3.51 QD1 LEU 50 - HN ARG+ 52 # SUP 1.72 Upper HB2 PHE 41 - HN ARG+ 52 4.91 19 0.50 0.91 +++++++++++ ++++++*+ # peak 745 # SUP 2.26 HB3 PHE 41 - HN ARG+ 52 # SUP 1.10 Upper HN ARG+ 52 - HA TYR 59 4.68 15 0.22 0.49 ++++++++* + + + ++ + # peak 746 # SUP 0.92 HN ARG+ 52 - HA PHE 60 # SUP 0.81 Upper HN LEU 45 - HD2 PRO 46 4.58 9 0.11 0.27 + + +* + +++ + # peak 786 # SUP 7.57 Upper HA PRO 43 - HN LEU 45 4.69 6 0.19 0.72 ++ + ++* # peak 789 # SUP 2.88 Upper HG LEU 54 - HN ALA 55 4.58 7 0.13 0.60 *+ ++ ++ + # peak 799 # SUP 7.08 Upper QG2 VAL 84 - HN GLU- 85 3.99 10 0.13 0.40 ++++ +* + ++ + # peak 906 # SUP 3.62 Upper HN GLU- 91 - HG2 GLU- 93 4.06 18 0.35 0.53 ++++++++++++ + ++*++ # peak 941 # SUP 1.12 Upper QG2 VAL 84 - HN GLU- 91 4.74 6 0.11 0.61 + * + + ++ # peak 943 # SUP 1.10 Upper HB3 SER 83 - HA SER 88 3.47 15 0.31 0.62 * ++++ ++++ ++ +++ + # peak 235 # SUP 1.50 Upper HB3 GLN 81 - HA GLN 89 4.00 19 0.45 0.75 ++++++++*++++++++ ++ # peak 264 # SUP 0.75 Upper HG2 PRO 37 - HA GLU- 40 3.35 17 0.38 0.63 ++++ +++ ++*+++++++ # peak 277 # SUP 2.47 Upper HB2 PRO 43 - HA ASP- 44 4.22 20 0.38 0.60 +++++++++++++++++*++ # peak 347 # SUP 3.14 HB3 PRO 37 - HA ASP- 44 # SUP 1.08 Upper HD2 PRO 37 - HD2 PRO 43 2.40 10 0.24 0.64 + + ++++++ +* # peak 391 # SUP 3.67 Upper HB3 PRO 37 - HD3 PRO 43 3.75 16 0.22 0.75 ++ + +++++++++++*+ # peak 408 # SUP 4.52 Upper HG3 PRO 37 - HD3 PRO 43 3.05 10 0.11 0.37 + + ++++++ *+ # peak 410 # SUP 6.11 Upper HG2 ARG+ 71 - HD3 ARG+ 71 2.55 6 0.06 0.21 * + + + ++ # peak 477 # SUP 3.85 Upper HB3 GLU- 93 - HG2 GLU- 93 2.40 6 0.05 0.14 + + + *++ # peak 570 # SUP 3.48 Upper HG2 GLN 81 - HA GLN 89 3.88 17 0.27 0.60 +++++++++ *+ ++++ ++ # peak 595 # SUP 3.86 Upper HA LEU 79 - HB2 LYS+ 80 4.10 10 0.17 1.15 + +++* +++ ++ # peak 635 # SUP 5.75 HB2 LYS+ 80 - HB3 SER 88 # SUP 0.02 Upper HB2 ARG+ 71 - HB3 SER 72 4.15 7 0.09 0.30 + + +* ++ + # peak 678 # SUP 4.15 Upper HD2 LYS+ 77 - HD3 LYS+ 80 3.52 6 0.09 0.39 + +* ++ + # peak 715 # SUP 0.20 HD3 LYS+ 76 - HD2 LYS+ 77 # SUP 2.69 HG3 LYS+ 76 - HD2 LYS+ 77 # SUP 2.63 Upper HD3 LYS+ 77 - HG2 LYS+ 80 2.93 14 0.17 0.52 +++ ++++ +++ ++ *+ # peak 871 # SUP 0.64 HD3 LYS+ 77 - HG3 LYS+ 80 # SUP 0.02 Upper HG LEU 45 - QD2 LEU 50 3.94 15 0.15 0.40 ++++ ++++ + + *++++ # peak 1260 # SUP 2.70 Upper HG LEU 45 - HG LEU 50 3.36 8 0.14 0.44 + * + + +++ + # peak 1272 # SUP 4.66 Upper QD2 LEU 54 - HA LEU 82 3.54 18 0.36 0.70 +++++++++++++ ++++ * # peak 1361 # SUP 3.69 Upper QD1 LEU 54 - HA LEU 82 5.14 7 0.17 0.63 + *+ ++ + + # peak 1366 # SUP 0.95 Upper HA ARG+ 78 - HD3 ARG+ 78 4.20 6 0.07 0.32 +* + + + + # peak 1460 # SUP 5.76 HA HIS 75 - HD3 ARG+ 78 # SUP 1.42 Upper HB3 ARG+ 58 - HG2 LYS+ 76 3.99 11 0.17 0.63 + ++ *+ +++++ + # peak 1519 # SUP 1.50 Upper HB2 ARG+ 58 - HG2 LYS+ 76 4.20 19 0.33 0.58 ++ +++*+++++++++++++ # peak 1520 # SUP 1.50 Upper HB2 PRO 46 - HB ILE 61 5.17 14 0.19 0.38 *+ +++++ ++++ ++ + # peak 1580 # SUP 0.75 Upper HG12 ILE 61 - HA ASN 65 5.11 6 0.09 0.32 + + * + ++ # peak 1584 # SUP 2.74 Upper HB2 PHE 41 - QD1 LEU 50 4.67 12 0.13 0.56 + + ++ * ++++ +++ # peak 1610 # SUP 2.90 HB3 PHE 41 - QD1 LEU 50 # SUP 2.82 Upper HB2 PHE 41 - HN LEU 50 4.14 15 0.26 0.59 +++++ ++ ++ +++++ * # peak 1616 # SUP 2.25 HB3 PHE 41 - HN LEU 50 # SUP 3.48 Upper HN GLU- 40 - HB3 PHE 41 4.61 15 0.20 0.57 + ++*+ ++ ++++++ ++ # peak 1618 # SUP 2.16 HN GLU- 40 - HB2 PHE 41 # SUP 2.37 Upper HB2 ASP- 42 - QD1 LEU 45 4.36 10 0.15 0.52 +++ ++ + ++ +* # peak 1702 # SUP 5.46 Upper HB3 ASP- 42 - HB2 LEU 45 5.20 11 0.19 0.45 +++ ++++ + +* + # peak 1705 # SUP 4.39 Upper HA PHE 41 - HB3 ASP- 42 5.50 7 0.14 0.52 + + * + ++ + # peak 1711 # SUP 6.28 Upper HB2 ARG+ 52 - HB3 TYR 59 5.09 6 0.07 0.45 ++ ++ + * # peak 1768 # SUP 2.49 Upper HB3 PRO 46 - HB2 TYR 59 5.50 18 0.19 0.48 ++*++++++ + ++++++++ # peak 1771 # SUP 3.00 Upper HN GLN 89 - HG2 GLU- 93 4.96 9 0.13 0.42 ++ +* + +++ + # peak 1839 # SUP 2.74 Upper HN GLU- 90 - HB3 GLU- 93 4.57 12 0.16 0.50 +++ + *+++++ + + # peak 1854 # SUP 2.28 Upper HB2 ASP- 42 - HN LEU 45 5.50 8 0.14 0.66 + + ++ * +++ # peak 1875 # SUP 6.07 Upper HB3 LYS+ 67 - HA THR 68 3.82 8 0.09 0.24 + + * + + + ++ # peak 1880 # SUP 6.32 HA THR 68 - HG3 ARG+ 71 # SUP 3.71 Upper HE3 LYS+ 67 - HA THR 68 4.74 6 0.08 0.41 * + + ++ + # peak 1882 # SUP 4.51 HA THR 68 - HB3 HIS 69 # SUP 5.48 Upper HA THR 68 - HG3 ARG+ 71 4.07 16 0.24 0.64 +++ ++ +++++* +++ ++ # peak 1886 # SUP 3.71 Upper HA THR 68 - HD3 ARG+ 71 4.40 11 0.17 0.56 +++ ++ +* +++ + # peak 1888 # SUP 3.03 Upper HA THR 68 - HA HIS 69 4.28 20 0.45 0.54 +*++++++++++++++++++ # peak 1891 # SUP 5.43 Upper HA HIS 51 - HG LEU 66 4.11 6 0.08 0.22 + *+ + ++ # peak 1897 # SUP 2.22 Upper HG LEU 66 - HN LYS+ 67 4.57 18 0.33 0.48 +++ ++++ ++++++++*++ # peak 1903 # SUP 8.60 Upper HN ARG+ 52 - HG LEU 66 4.22 18 0.23 0.41 +++++*+++ +++++ ++++ # peak 1904 # SUP 3.51 HD21 ASN 65 - HG LEU 66 # SUP 4.24 Upper HE1 HIS 69 - HG LEU 79 4.77 7 0.07 0.45 + + + * + + + # peak 1920 # SUP 2.24 HN LYS+ 77 - HG LEU 79 # SUP 1.47 HN TYR 59 - HG LEU 79 # SUP 2.10 Upper HB3 ASP- 42 - QD2 LEU 45 4.49 8 0.17 0.50 +++ +* + + + # peak 1995 # SUP 5.77 Upper HB2 ASP- 42 - QD2 LEU 45 4.09 11 0.19 0.74 +++ ++ + *+ + + + # peak 1996 # SUP 6.81 QD2 LEU 45 - HB3 TYR 59 # SUP 5.30 Upper HN ALA 55 - HB3 CYS 56 5.27 20 0.47 0.67 *+++++++++++++++++++ # peak 2010 # SUP 4.14 HB3 CYS 56 - HN TYR 59 # SUP 2.88 Upper HG3 ARG+ 71 - HB3 HIS 75 3.80 15 0.17 0.31 +++++* ++++ + + + ++ # peak 2027 # SUP 2.09 HG3 ARG+ 71 - HB2 HIS 75 # SUP 1.54 HB3 HIS 75 - HB3 LYS+ 77 # SUP 3.04 HB2 HIS 75 - HB3 LYS+ 77 # SUP 2.86 Upper HG3 PRO 37 - HN ASP- 44 4.64 11 0.30 0.82 + * + ++++++ ++ # peak 2046 # SUP 2.51 Upper HG3 PRO 37 - HA PRO 43 4.26 6 0.06 0.26 ++* + + + # peak 2049 # SUP 5.09 HG3 PRO 37 - HA GLU- 40 # SUP 2.96 Upper QD1 LEU 45 - HD2 PRO 46 3.97 10 0.19 0.51 + + +* +++++ + # peak 2055 # SUP 7.71 Upper QD1 LEU 45 - HD3 PRO 46 4.14 9 0.20 0.61 ++ ++++++ * # peak 2062 # SUP 7.52 Upper HA ASP- 42 - HD3 PRO 43 3.50 9 0.14 0.32 +++ ++ * ++ + # peak 2066 # SUP 5.05 Upper HD2 ARG+ 58 - HG2 LYS+ 76 4.05 10 0.10 0.24 +++ + +++* + + # peak 2122 # SUP 1.50 Upper HB2 LEU 45 - HD3 ARG+ 52 4.34 12 0.14 0.39 + *++ +++ +++ + + # peak 2127 # SUP 1.17 HD3 ARG+ 52 - QD2 LEU 54 # SUP 0.67 Upper HA LEU 66 - HA HIS 69 4.83 20 0.56 0.76 +++++++*++++++++++++ # peak 2178 # SUP 2.25 Upper HA LYS+ 73 - HG2 LYS+ 77 4.28 8 0.06 0.21 + + + + +++ * # peak 2187 # SUP 3.67 Upper HB2 CYS 53 - HB3 LEU 54 5.50 16 0.22 0.44 ++++++++++ + ++++* # peak 2233 # SUP 4.97 HB2 CYS 53 - HB3 LEU 82 # SUP 1.35 Upper HB3 CYS 53 - HB3 LEU 54 5.50 19 0.39 0.72 +++++++*+++ ++++++++ # peak 2237 # SUP 5.58 HB3 CYS 53 - HB3 LEU 82 # SUP 1.29 HB3 CYS 53 - HB3 LEU 66 # SUP 1.26 Upper HE1 HIS 69 - QD PHE 70 4.00 13 0.13 0.34 ++ +++ ++ ++* + ++ # peak 42 # SUP 2.14 HN HIS 69 - HE1 HIS 69 # SUP 4.50 Upper HE1 HIS 69 - QD1 LEU 79 4.39 7 0.07 0.27 + * + ++ + + # peak 46 # SUP 2.25 Upper HA HIS 75 - HE1 HIS 75 5.10 14 0.28 0.65 +*+++ ++++++ ++ + # peak 50 # SUP 1.88 Upper HB3 ASP- 74 - HE1 HIS 75 4.12 6 0.07 0.25 ++ * + + + # peak 52 # SUP 1.84 HB3 HIS 75 - HE1 HIS 75 # SUP 2.17 Upper HG3 ARG+ 71 - HE1 HIS 75 4.56 11 0.11 0.29 ++ +++ ++ ++ +* # peak 54 # SUP 1.88 Upper HA VAL 84 - QD TYR 87 4.64 13 0.17 0.45 +++ + +++++++*+ # peak 77 # SUP 0.75 QD TYR 87 - HA ALA 92 # SUP 1.74 Upper QG2 VAL 84 - QD TYR 87 4.89 10 0.10 0.41 + + *+ ++ + ++ + # peak 82 # SUP 0.75 Upper QD1 LEU 45 - QD TYR 59 4.44 7 0.17 0.63 + * + ++ ++ # peak 93 # SUP 5.72 Upper HB3 CYS 53 - QD PHE 70 4.71 17 0.25 0.53 + + ++++++*+++++++ + # peak 136 # SUP 0.75 Upper HG3 LYS+ 67 - QD PHE 70 4.98 12 0.13 0.32 +* + + +++ +++ + + # peak 138 # SUP 1.52 QD PHE 70 - HB2 LEU 79 # SUP 1.86 Upper QD PHE 70 - QD2 LEU 79 4.65 6 0.08 0.35 + + * + ++ # peak 140 # SUP 1.61 QD2 LEU 66 - QD PHE 70 # SUP 1.50 Upper HA LYS+ 67 - QE PHE 70 3.27 6 0.07 0.28 +* + + + + # peak 170 # SUP 6.90 HA PHE 70 - QE PHE 70 # SUP 5.32 Upper QD PHE 60 - HZ PHE 70 4.73 11 0.17 0.56 + ++++ *++ + + + # peak 175 # SUP 1.69 Upper HB2 HIS 69 - HZ PHE 70 5.13 16 0.18 0.31 ++++ +*++++++ + +++ # peak 181 # SUP 3.61 HB2 PHE 60 - HZ PHE 70 # SUP 0.99 Upper HA2 GLY 49 - QE TYR 59 4.36 14 0.24 0.49 ++++*+++ ++ + ++ + # peak 220 # SUP 2.96 Angle PSI HIS 51 112.00 150.00 7 3.99 12.33 + + +++ *+ Angle PHI ARG+ 52 206.00 254.00 6 3.57 10.06 + ++ * + + Angle PSI PHE 60 142.00 176.00 6 4.00 7.97 ++ + + + * Angle PSI LEU 66 307.00 327.00 8 4.49 7.32 + + ++ + * ++ Angle PSI THR 68 309.00 329.00 18 8.06 13.40 +++++*+++ +++++ ++++ Angle PSI LYS+ 76 310.00 330.00 14 7.69 19.32 ++ ++ ++ *++ + ++++ Angle PHI LYS+ 77 285.00 305.00 17 9.35 14.26 ++ ++++++++*+++ + ++ Angle PHI ARG+ 78 287.00 307.00 6 4.03 14.82 * + + + ++ Angle PHI LEU 79 285.00 305.00 9 4.33 9.81 + + +++ + ++* Angle PSI LEU 79 310.00 330.00 17 8.78 16.33 +++ ++++++++++++ *+ Angle PHI LYS+ 80 286.00 306.00 19 9.49 12.98 ++++++++++*++++ ++++ Angle PSI LYS+ 80 311.00 331.00 8 4.28 9.05 + *+ ++ + + + Angle PHI GLN 81 282.00 302.00 10 5.27 10.57 +++++ +* + + + Angle PHI GLN 89 278.00 300.00 8 3.70 11.25 + * + ++ +++ Angle PSI GLN 89 305.00 355.00 6 3.08 11.93 + + + + +* Angle PHI GLU- 90 283.00 303.00 14 6.59 11.09 *++++ + +++ +++ ++ Angle PSI GLU- 90 311.00 331.00 9 3.64 8.65 ++ +*+ + + + + 119 violated distance constraints. 17 violated angle constraints. RMSDs for residues 40..82: Average backbone RMSD to mean : 1.06 +/- 0.51 A (0.52..2.45 A) Average heavy atom RMSD to mean : 1.60 +/- 0.51 A (1.04..3.04 A)