Structural statistics: str target upper limits van der Waals torsion angles function # sum max # sum max # sum max 1 11.03 83 23.4 0.70 9 12.9 0.37 9 120.3 11.68 2 11.29 76 21.4 0.66 14 15.0 0.33 13 136.4 14.63 3 11.38 80 22.0 0.63 13 15.4 0.31 8 140.3 12.10 4 11.56 85 23.3 0.70 9 14.4 0.36 10 134.2 13.13 5 11.60 66 19.6 0.64 9 15.8 0.44 8 139.8 13.41 6 12.26 87 24.3 0.59 11 16.7 0.31 10 130.5 14.62 7 12.35 77 21.5 0.66 13 16.3 0.59 12 136.8 12.18 8 12.54 79 21.9 0.67 12 16.7 0.40 10 125.9 13.37 9 12.56 87 23.5 0.85 13 15.3 0.39 10 141.4 11.66 10 12.64 86 24.1 0.85 11 16.1 0.33 10 122.7 13.21 11 12.66 87 24.2 0.70 13 16.6 0.33 10 112.2 12.50 12 12.67 88 25.5 0.74 8 14.7 0.40 7 127.5 12.42 13 12.91 73 22.8 0.71 16 14.8 0.45 11 145.4 13.14 14 12.92 84 22.6 0.70 16 16.4 0.29 15 195.1 16.55 15 12.96 83 23.6 0.90 11 16.9 0.33 11 132.0 12.37 16 13.00 78 23.5 0.69 15 15.8 0.32 16 176.8 13.87 17 13.10 74 21.9 1.20 13 16.1 0.33 10 140.7 13.41 18 13.37 81 23.8 0.68 14 16.4 0.38 15 167.5 13.92 19 13.45 87 25.5 0.79 12 15.8 0.33 8 109.3 10.72 20 13.47 77 22.4 0.60 20 17.4 0.48 10 127.4 13.21 Ave 12.49 81 23.0 0.73 13 15.8 0.37 11 138.1 13.10 +/- 0.72 6 1.4 0.13 3 1.0 0.07 2 20.3 1.25 Min 11.03 66 19.6 0.59 8 12.9 0.29 7 109.3 10.72 Max 13.47 88 25.5 1.20 20 17.4 0.59 16 195.1 16.55 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 3.26 7 0.10 0.32 +++ + + * + # peak 18 # SUP 3.62 HA LEU 82 - HN GLU- 85 # SUP 1.51 Upper QB ALA 92 - HN ALA 95 3.27 7 0.08 0.28 + ++ + * ++ # peak 56 # SUP 2.67 Upper HN TYR 101 - HN VAL 102 4.46 6 0.07 0.18 + *+ + + + # peak 86 # SUP 2.99 Upper HN ASP- 36 - HG3 PRO 37 4.23 10 0.17 0.42 +++* + + + +++ # peak 118 # SUP 4.06 Upper HN ARG+ 94 - HB3 ARG+ 94 3.46 10 0.06 0.12 ++ + +++ + *++ # peak 170 # SUP 4.40 Upper HB3 GLU- 93 - HN ARG+ 94 3.89 20 0.29 0.49 *+++++++++++++++++++ # peak 173 # SUP 4.56 Upper HA GLU- 93 - HN ARG+ 94 3.48 14 0.11 0.15 +++ + ++++++++*+ # peak 174 # SUP 4.56 Upper HA GLN 89 - HN GLU- 90 3.34 15 0.19 0.26 +++ ++++*+++ + + ++ # peak 203 # SUP 1.63 HN GLU- 90 - HA GLU- 93 # SUP 1.50 HN GLU- 90 - HA ALA 92 # SUP 1.14 Upper HG2 GLN 81 - HN GLU- 90 4.65 6 0.07 0.29 + + +* + + # peak 209 # SUP 1.84 Upper HN THR 64 - HA ASN 65 4.58 20 0.39 0.50 ++++++++++++++*+++++ # peak 248 # SUP 2.94 Upper HA PRO 86 - HN TYR 87 3.12 7 0.09 0.39 + ++ * + ++ # peak 251 # SUP 3.31 Upper HN TYR 87 - HB3 GLU- 91 3.85 12 0.24 0.73 ++ ++ +++++ +* + # peak 267 # SUP 2.74 Upper QB ALA 92 - HN GLU- 93 3.54 20 0.21 0.25 *+++++++++++++++++++ # peak 297 # SUP 3.52 Upper HG3 PRO 46 - HN PHE 60 4.38 10 0.11 0.33 ++ + +* ++++ + # peak 325 # SUP 1.09 HN PHE 60 - HB ILE 61 # SUP 4.99 Upper HN ASN 38 - HB3 GLU- 40 4.14 15 0.25 0.66 ++++++ +++ +++ +*+ # peak 342 # SUP 1.09 Upper HN LEU 54 - HG LEU 54 4.36 8 0.07 0.16 *+ ++++ ++ # peak 392 # SUP 6.48 Upper HB2 ARG+ 52 - HN LEU 54 4.76 20 0.35 0.67 +++++++*++++++++++++ # peak 400 # SUP 0.95 HN LEU 54 - HB2 LEU 82 # SUP 0.75 Upper HN LYS+ 73 - HB3 LYS+ 76 4.53 13 0.15 0.38 ++++ ++++ + + *++ # peak 407 # SUP 0.75 HG3 ARG+ 71 - HN LYS+ 73 # SUP 1.79 HN LYS+ 73 - HB3 LYS+ 77 # SUP 0.88 Upper QD2 LEU 50 - HN HIS 51 4.86 14 0.13 0.29 + +++++++* + +++ + # peak 437 # SUP 6.34 Upper HN HIS 51 - HB2 PHE 60 5.02 13 0.14 0.32 +++ ++ + * ++++++ # peak 439 # SUP 0.98 HN HIS 51 - HB3 TYR 59 # SUP 1.21 Upper HB2 PHE 41 - HN HIS 51 5.29 9 0.13 0.47 ++++ + +++ * # peak 441 # SUP 2.15 HB3 PHE 41 - HN HIS 51 # SUP 2.52 Upper HN HIS 69 - HB3 PHE 70 4.72 20 0.33 0.48 *+++++++++++++++++++ # peak 491 # SUP 5.40 Upper HN HIS 69 - HZ PHE 70 4.92 20 0.59 0.70 +++++++++++++*++++++ # peak 495 # SUP 4.45 Upper HN ASP- 42 - HA ASP- 44 5.00 9 0.10 0.34 +++ + + + * ++ # peak 506 # SUP 0.98 Upper HN GLN 81 - HG3 GLN 81 4.19 8 0.07 0.26 +* + + ++ + + # peak 512 # SUP 5.63 Upper HD3 LYS+ 80 - HN GLN 81 4.74 6 0.09 0.48 + + * +++ # peak 516 # SUP 6.79 HD3 LYS+ 77 - HN GLN 81 # SUP 0.95 Upper HN HIS 75 - HB3 LYS+ 77 3.65 20 0.27 0.39 +++++++*++++++++++++ # peak 519 # SUP 5.43 HN HIS 75 - HB3 LYS+ 76 # SUP 5.67 Upper HA PHE 70 - HN HIS 75 5.46 17 0.23 0.57 ++ ++++++*+ +++++++ # peak 527 # SUP 1.08 Upper HN HIS 75 - HG2 LYS+ 77 4.92 9 0.09 0.20 + + + + ++ +*+ # peak 530 # SUP 2.89 HN HIS 75 - HG2 ARG+ 78 # SUP 1.35 Upper HG3 ARG+ 78 - HN LYS+ 80 3.90 20 0.30 0.41 ++++++++++++++++++*+ # peak 551 # SUP 3.34 Upper HN LEU 79 - HG LEU 79 3.77 10 0.11 0.29 * + + + ++++++ # peak 585 # SUP 8.62 Upper HN LEU 79 - HG3 LYS+ 80 3.87 17 0.27 0.52 +*++++++++ ++++++ + # peak 588 # SUP 5.93 HN LEU 79 - HG2 LYS+ 80 # SUP 6.19 HG2 LYS+ 76 - HN LEU 79 # SUP 1.45 HN LEU 79 - HD2 LYS+ 80 # SUP 5.38 Upper HN LYS+ 76 - HG2 LYS+ 76 4.20 19 0.25 0.41 *++++++++++++ ++++++ # peak 612 # SUP 6.45 Upper HG3 ARG+ 71 - HN SER 72 4.21 12 0.26 0.58 ++ ++ ++ +*++++ # peak 626 # SUP 7.07 Upper HN SER 83 - HN GLU- 85 4.79 9 0.12 0.51 *+ +++ ++ ++ # peak 673 # SUP 1.55 Upper HB2 LEU 45 - HN GLY 48 5.40 6 0.08 0.33 * ++ + + + # peak 698 # SUP 4.06 Upper HN LEU 66 - HG2 LYS+ 67 4.94 7 0.09 0.42 + + * +++ + # peak 725 # SUP 5.53 Upper HN ARG+ 52 - HG2 ARG+ 52 4.58 15 0.14 0.24 ++++ ++ ++* ++++++ # peak 742 # SUP 7.02 HB3 LEU 50 - HN ARG+ 52 # SUP 1.72 Upper HN ARG+ 52 - HA TYR 59 4.71 11 0.13 0.43 +++++++ + +*+ # peak 746 # SUP 0.87 HN ARG+ 52 - HA PHE 60 # SUP 0.91 Upper HN CYS 53 - HB2 LEU 79 4.21 20 0.54 0.79 +++++++++*++++++++++ # peak 755 # SUP 2.27 HN CYS 53 - QB ALA 57 # SUP 4.41 HN CYS 53 - QB ALA 55 # SUP 0.78 Upper HN LEU 45 - HD2 PRO 46 4.61 13 0.13 0.33 ++++ + +++ + +*++ # peak 786 # SUP 7.58 Upper HG LEU 54 - HN ALA 55 4.61 9 0.17 0.62 + ++ + + *+++ # peak 799 # SUP 6.60 Upper HN LYS+ 77 - HG3 ARG+ 78 5.08 10 0.13 0.33 +* + + +++ + ++ # peak 836 # SUP 4.19 Upper HB3 LYS+ 67 - HN THR 68 3.78 9 0.09 0.33 * +++ + ++ + + # peak 848 # SUP 7.47 HB3 LEU 66 - HN THR 68 # SUP 4.26 Upper HN GLY 49 - QE TYR 59 5.06 7 0.13 0.76 +++ + + * + # peak 873 # SUP 2.15 Upper HA VAL 84 - HN GLU- 85 3.31 8 0.12 0.33 +++ * + + + + # peak 899 # SUP 3.62 Upper HB VAL 84 - HN GLU- 85 4.32 7 0.11 0.37 ++ ++ * + + # peak 907 # SUP 3.62 Upper HN GLU- 91 - HG2 GLU- 93 4.09 16 0.29 0.50 +*+ ++++++++ + ++++ # peak 941 # SUP 1.14 Upper HB3 GLN 81 - HA GLN 89 4.00 9 0.08 0.25 +* + + + +++ + # peak 264 # SUP 0.75 Upper HB3 PRO 37 - HA GLU- 40 3.81 16 0.38 0.90 ++++ + ++++++ *+ +++ # peak 276 # SUP 1.30 Upper HG2 PRO 37 - HA GLU- 40 3.35 9 0.26 1.20 + ++ ++ + * ++ # peak 277 # SUP 3.61 HA GLU- 40 - HG3 PRO 43 # SUP 0.90 Upper HG LEU 45 - HA LEU 50 3.91 7 0.09 0.37 + * + + +++ # peak 316 # SUP 2.62 Upper HA ARG+ 52 - HD3 ARG+ 52 4.87 6 0.06 0.17 + + * +++ # peak 332 # SUP 6.39 Upper HB2 PRO 43 - HA ASP- 44 4.23 16 0.18 0.67 ++++++++*++++++ + # peak 347 # SUP 3.84 HB3 PRO 37 - HA ASP- 44 # SUP 0.88 Upper QB ALA 92 - HA ALA 96 2.92 9 0.09 0.16 + + + + +++*+ # peak 370 # SUP 2.89 QB ALA 92 - HA ALA 95 # SUP 2.00 HG2 LYS+ 80 - HA ALA 96 # SUP 1.16 Upper HB3 PRO 37 - HD2 PRO 43 3.77 11 0.20 0.56 + ++ +++ ++ * + + # peak 398 # SUP 3.48 Upper HB3 PRO 37 - HD3 PRO 43 3.75 10 0.18 0.85 + + +*+ ++ +++ # peak 408 # SUP 3.78 Upper HG3 PRO 37 - HD3 PRO 43 3.05 13 0.25 0.57 +++*+ +++ ++ + + + # peak 410 # SUP 6.03 Upper HG2 ARG+ 71 - HD3 ARG+ 71 2.56 12 0.12 0.32 * ++ ++ ++ +++ + + # peak 477 # SUP 3.77 Upper HB3 GLU- 93 - HG2 GLU- 93 2.40 6 0.07 0.23 +* ++ + + # peak 570 # SUP 3.51 Upper HB2 ARG+ 71 - HB3 SER 72 4.16 8 0.10 0.53 + +*+ ++ + + # peak 678 # SUP 3.79 Upper HG3 PRO 37 - HG3 PRO 43 2.40 9 0.14 0.71 + + + ++ * + ++ # peak 765 # SUP 5.73 Upper QD2 LEU 54 - HA LEU 82 3.13 8 0.12 0.34 ++ + ++ + + * # peak 906 # SUP 4.24 Upper HG LEU 45 - QD2 LEU 50 3.94 10 0.12 0.35 +++* + ++ + + + # peak 1260 # SUP 1.93 Upper HG LEU 45 - HG LEU 50 3.37 9 0.13 0.68 ++ + ++++ * + # peak 1272 # SUP 4.22 Upper HB3 HIS 69 - HB3 PHE 70 4.10 6 0.06 0.21 + *++ + + # peak 1506 # SUP 6.31 HE3 LYS+ 67 - HB3 PHE 70 # SUP 1.14 HB3 PHE 70 - HE3 LYS+ 76 # SUP 1.17 Upper HB2 ARG+ 58 - HG2 LYS+ 76 4.21 10 0.14 0.38 + ++ ++ ++ +*+ # peak 1520 # SUP 0.75 Upper HB3 ARG+ 58 - HZ PHE 60 5.50 6 0.08 0.33 + + ++ * + # peak 1529 # SUP 3.44 Upper HB2 PHE 41 - QD1 LEU 50 4.67 7 0.10 0.49 + + + +++ * # peak 1610 # SUP 2.95 HB3 PHE 41 - QD1 LEU 50 # SUP 2.40 Upper HN GLU- 40 - HB3 PHE 41 4.62 13 0.16 0.48 + +* + ++++ ++++ + # peak 1618 # SUP 2.15 HN GLU- 40 - HB2 PHE 41 # SUP 2.41 Upper HA LEU 79 - HB2 LEU 82 4.87 11 0.12 0.37 + + +++++++ +* # peak 1678 # SUP 2.24 Upper HG LEU 54 - HA LEU 82 3.56 15 0.18 0.44 + +++++ ++++++ *+ + # peak 1682 # SUP 1.50 HA LEU 82 - HB3 GLU- 85 # SUP 0.24 Upper HB2 ASP- 42 - QD1 LEU 45 4.37 17 0.30 0.62 ++++++ ++++++ + +*++ # peak 1702 # SUP 5.58 Upper HB2 ASP- 42 - HB3 LEU 45 5.10 8 0.08 0.31 * + ++ ++ + + # peak 1704 # SUP 5.42 HB2 ASP- 42 - HB2 LEU 50 # SUP 0.66 Upper HB3 ASP- 42 - HB2 LEU 45 5.21 6 0.09 0.43 + + +* + + # peak 1705 # SUP 4.29 Upper HB3 ASP- 42 - QD2 LEU 45 4.56 8 0.12 0.39 ++++ + + + * # peak 1706 # SUP 5.63 HB3 ASP- 42 - QD1 LEU 45 # SUP 3.67 Upper HB3 LEU 54 - QB ALA 55 4.59 11 0.10 0.20 + + + + + + +* ++ + # peak 1721 # SUP 5.28 HB3 LEU 54 - QB ALA 57 # SUP 2.17 Upper HD2 ARG+ 78 - HG LEU 82 4.91 14 0.14 0.34 + ++ + +++++ + ++*+ # peak 1733 # SUP 1.69 QD2 LEU 54 - HD2 ARG+ 78 # SUP 0.68 Upper HG3 ARG+ 78 - HG LEU 82 4.79 17 0.24 0.52 +++++++++++ +++++ * # peak 1734 # SUP 1.73 QD2 LEU 54 - HG3 ARG+ 78 # SUP 0.38 HG2 PRO 37 - HB2 LEU 45 # SUP 0.14 Upper HB2 ARG+ 52 - HB3 TYR 59 5.10 9 0.13 0.50 + + * + + ++ ++ # peak 1768 # SUP 2.43 HB3 TYR 59 - HB3 LEU 79 # SUP 0.46 Upper HB3 PRO 46 - HB2 TYR 59 5.50 8 0.09 0.27 ++ + ++ +* + # peak 1771 # SUP 2.92 Upper HD3 PRO 46 - HB2 TYR 59 5.09 6 0.05 0.22 * + + + + + # peak 1775 # SUP 4.40 HD3 ARG+ 58 - HB2 TYR 59 # SUP 4.02 Upper HN ALA 55 - HB2 CYS 56 5.06 9 0.10 0.30 + ++ ++ +++ * # peak 1826 # SUP 3.61 Upper HN GLN 89 - HG2 GLU- 93 4.97 13 0.15 0.37 ++ +* ++++ + ++ ++ # peak 1839 # SUP 2.59 Upper HN GLU- 90 - HB3 GLU- 93 4.58 10 0.13 0.31 ++ ++ +++ +*+ # peak 1854 # SUP 2.23 Upper HB2 ASP- 42 - HN LEU 45 5.50 6 0.09 0.48 ++ + + + * # peak 1875 # SUP 6.01 Upper HA THR 68 - HG3 ARG+ 71 4.07 6 0.08 0.36 + + + +* + # peak 1886 # SUP 4.70 Upper HA THR 68 - HD3 ARG+ 71 4.40 7 0.09 0.24 * +++ + + + # peak 1888 # SUP 3.01 Upper HA THR 68 - HA HIS 69 4.29 20 0.48 0.53 *+++++++++++++++++++ # peak 1891 # SUP 5.43 Upper HB3 HIS 51 - HG LEU 66 4.07 17 0.26 0.51 *++++++++++++ + +++ # peak 1896 # SUP 1.74 Upper HA CYS 53 - QD1 LEU 66 4.74 20 0.32 0.55 ++++*+++++++++++++++ # peak 1899 # SUP 2.25 Upper HG3 ARG+ 52 - HB2 LEU 79 3.98 11 0.13 0.46 + + ++ ++* ++ + + # peak 1957 # SUP 2.52 HG3 ARG+ 52 - QB ALA 57 # SUP 2.60 Upper HG2 ARG+ 52 - HB2 LEU 79 3.80 13 0.15 0.35 * + ++ ++++ +++ + + # peak 1959 # SUP 2.39 HG2 ARG+ 52 - QB ALA 57 # SUP 2.39 Upper HA SER 63 - HN LYS+ 67 4.93 12 0.15 0.29 ++ + ++++ +*+ + + # peak 1977 # SUP 3.79 Upper HD3 ARG+ 78 - HG LEU 79 4.23 9 0.08 0.26 + + + + ++++* # peak 1988 # SUP 4.19 HD3 ARG+ 58 - HG LEU 79 # SUP 2.15 Upper HB2 ASP- 42 - QD2 LEU 45 4.10 16 0.32 0.65 +++++++++++ +*+++ # peak 1996 # SUP 6.76 QD2 LEU 45 - HB3 TYR 59 # SUP 4.71 Upper HB2 CYS 56 - HG2 LYS+ 76 4.92 11 0.12 0.32 *+ ++ + +++ ++ + # peak 2018 # SUP 0.75 Upper HB2 HIS 51 - HB2 LEU 66 4.96 13 0.16 0.35 + + ++ + ++*++ +++ # peak 2029 # SUP 1.52 Upper HG3 PRO 37 - HN ASP- 44 4.65 7 0.07 0.30 +++ + + + * # peak 2046 # SUP 3.32 Upper QD1 LEU 45 - HD2 PRO 46 3.98 7 0.18 0.64 + ++ * + + + # peak 2055 # SUP 7.71 Upper QD1 LEU 45 - HD3 PRO 46 4.15 7 0.11 0.59 + *+ + + + + # peak 2062 # SUP 7.52 Upper HA ASP- 42 - HD3 PRO 43 3.51 20 0.30 0.35 +++*++++++++++++++++ # peak 2066 # SUP 5.10 Upper HD3 ARG+ 52 - QB ALA 57 4.14 6 0.06 0.29 ++ + ++ * # peak 2133 # SUP 2.18 HD3 ARG+ 52 - HB2 LEU 79 # SUP 2.30 Upper HA LEU 66 - HA HIS 69 4.84 18 0.31 0.52 ++*++++ ++++ +++++++ # peak 2178 # SUP 0.02 Upper HB2 CYS 53 - HB3 LEU 54 5.50 6 0.07 0.32 + + * + + + # peak 2233 # SUP 4.96 HB2 CYS 53 - HB3 LEU 82 # SUP 0.58 Upper HB3 CYS 53 - HB3 LEU 54 5.50 20 0.25 0.42 ++++++++++++++++++*+ # peak 2237 # SUP 5.58 HB3 CYS 53 - HB3 LEU 66 # SUP 1.44 HB3 CYS 53 - HB3 LEU 82 # SUP 0.49 Upper HE1 HIS 69 - QE PHE 70 4.95 6 0.07 0.28 + + ++ * + # peak 43 # SUP 2.39 Upper HE1 HIS 69 - HB2 LEU 79 4.22 8 0.08 0.28 + ++* + +++ # peak 44 # SUP 3.43 HE1 HIS 69 - HG2 ARG+ 78 # SUP 1.25 Upper HA VAL 84 - QD TYR 87 5.12 7 0.07 0.21 + ++ ++ *+ # peak 77 # SUP 0.75 QD TYR 87 - HA ALA 92 # SUP 1.73 QD TYR 87 - HA GLN 89 # SUP 0.16 Upper QG2 VAL 84 - QD TYR 87 5.40 6 0.07 0.31 + + * + + + # peak 82 # SUP 0.75 Upper HB2 LEU 45 - QD TYR 59 5.23 8 0.08 0.30 + +++ + *+ + # peak 94 # SUP 3.52 Upper HB3 CYS 53 - QD PHE 70 5.20 19 0.19 0.31 ++++++++++* ++++++++ # peak 136 # SUP 0.75 HB2 ASN 65 - QD PHE 70 # SUP 0.55 Upper HN LEU 66 - QE PHE 70 4.51 6 0.08 0.18 + ++ * + + # peak 166 # SUP 3.14 QE PHE 70 - HN ARG+ 71 # SUP 6.81 HN ARG+ 58 - QE PHE 70 # SUP 0.62 Upper HB2 HIS 69 - HZ PHE 70 5.50 15 0.14 0.26 *++ + ++++++ + ++++ # peak 181 # SUP 4.02 HB2 PHE 60 - HZ PHE 70 # SUP 1.26 Upper HA2 GLY 49 - QE TYR 59 4.82 8 0.10 0.39 + + + + * + + + # peak 220 # SUP 3.74 Upper QE TYR 59 - HB2 LEU 79 4.77 6 0.06 0.27 + ++ + * + # peak 224 # SUP 1.84 QB ALA 57 - QE TYR 59 # SUP 0.69 QE TYR 59 - HG2 ARG+ 78 # SUP 1.25 Angle PSI PRO 46 122.00 150.00 7 3.56 8.86 + + + + +* + Angle PSI CYS 53 118.00 150.00 17 7.17 13.02 ++++*+ +++ +++++++ + Angle PHI LEU 54 289.00 309.00 13 6.54 13.21 ++ ++++++ + + ++ * Angle PSI THR 68 309.00 329.00 20 12.09 14.63 +*++++++++++++++++++ Angle PHI ASP- 74 285.00 305.00 9 4.76 8.22 +++ ++ +* ++ Angle PHI HIS 75 286.00 306.00 13 5.62 9.62 ++ ++ ++* +++ +++ Angle PSI LYS+ 76 310.00 330.00 12 5.43 8.71 ++ ++ * ++ +++ ++ Angle PSI LEU 79 310.00 330.00 20 11.11 16.55 +++++++++++++*++++++ Angle PHI LYS+ 80 286.00 306.00 18 7.00 9.61 ++++++++++ +++++*+ + Angle PHI GLU- 90 283.00 303.00 14 7.19 11.77 + ++ ++ +++*++++ + Angle PSI GLU- 90 311.00 331.00 11 4.90 8.05 + + ++++ +++ *+ Angle PHI GLU- 93 284.00 304.00 6 3.38 10.23 + ++ + + * 116 violated distance constraints. 12 violated angle constraints. RMSDs for residues 40..82: Average backbone RMSD to mean : 0.89 +/- 0.54 A (0.49..2.66 A) Average heavy atom RMSD to mean : 1.46 +/- 0.55 A (1.03..3.29 A)