Structural statistics: str target upper limits van der Waals torsion angles function # sum max # sum max # sum max 1 14.54 78 23.1 0.78 16 17.1 0.41 9 141.5 14.07 2 14.88 77 22.2 0.84 18 20.3 0.37 14 164.0 13.38 3 14.98 83 25.2 0.77 20 18.7 0.38 9 146.4 14.12 4 15.68 91 25.7 0.81 17 19.2 0.42 12 162.4 17.81 5 16.19 77 25.0 0.65 26 22.0 0.33 9 133.7 15.65 6 16.56 82 26.3 0.80 26 21.2 0.41 10 139.0 11.88 7 17.18 80 24.8 0.83 21 22.3 0.40 11 160.9 16.77 8 17.23 82 25.2 0.99 22 21.1 0.41 11 141.8 13.34 9 17.31 84 26.0 0.98 22 20.8 0.39 11 136.4 14.04 10 17.48 88 27.8 0.76 21 20.3 0.50 10 151.6 14.98 11 17.65 80 24.1 0.85 24 22.2 0.36 13 197.3 16.12 12 18.07 87 27.1 0.84 26 22.4 0.42 12 151.4 11.70 13 18.22 85 26.0 0.63 24 22.8 0.41 14 205.8 27.02 14 18.30 81 25.9 0.78 24 20.6 0.56 10 188.8 16.16 15 18.37 82 24.6 0.78 34 22.8 0.48 9 156.4 14.69 16 18.53 82 26.4 0.81 20 19.0 0.43 18 226.3 15.41 17 18.71 82 23.8 0.93 32 25.9 0.41 15 193.5 17.47 18 18.79 81 26.0 1.03 29 23.4 0.38 10 175.7 15.25 19 18.92 91 27.2 0.78 24 23.9 0.40 17 191.9 19.17 20 18.96 89 28.2 0.83 23 21.2 0.43 19 205.3 17.83 Ave 17.33 83 25.5 0.82 23 21.4 0.41 12 168.5 15.84 +/- 1.38 4 1.5 0.10 4 2.0 0.05 3 26.9 3.20 Min 14.54 77 22.2 0.63 16 17.1 0.33 9 133.7 11.70 Max 18.96 91 28.2 1.03 34 25.9 0.56 19 226.3 27.02 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 HB2 TYR 87 - HN TYR 101 4.02 6 0.05 0.25 * + + + + + # peak 82 # SUP 4.18 HB3 TYR 87 - HN TYR 101 # SUP 4.45 Upper HN ASP- 36 - HB3 ARG+ 78 4.26 19 0.36 0.71 ++++++++*++++++++++ # peak 93 # SUP 1.56 Upper HN ASP- 36 - HD2 LYS+ 77 4.92 15 0.27 0.66 +++++++++*+ +++ + # peak 94 # SUP 1.69 HN ASP- 36 - HB3 LEU 79 # SUP 0.54 Upper HN ASP- 36 - HB3 PRO 37 4.54 18 0.35 0.76 ++++ ++++*+++++++ ++ # peak 95 # SUP 3.12 Upper HN ASP- 36 - HB3 ASP- 36 3.74 9 0.08 0.18 +++ ++ ++ + * # peak 113 # SUP 3.40 Upper HA LEU 54 - HN ALA 96 4.84 16 0.24 0.65 + +*++++++++ +++ ++ # peak 129 # SUP 1.43 HA ALA 55 - HN ALA 96 # SUP 0.64 Upper HG2 GLN 81 - HN GLU- 90 4.87 10 0.16 0.78 ++ + +++ +++ * # peak 209 # SUP 1.84 Upper HN PHE 60 - QE PHE 60 5.08 9 0.13 0.46 ++++ + +*+ + # peak 319 # SUP 5.14 Upper HN PHE 60 - HB ILE 61 4.59 19 0.44 0.78 *++++++++++++++ ++++ # peak 325 # SUP 4.81 HG3 PRO 46 - HN PHE 60 # SUP 1.13 Upper HG3 ARG+ 71 - HN LYS+ 73 4.75 6 0.08 0.52 ++ + +* + # peak 407 # SUP 1.60 HN LYS+ 73 - HB3 LYS+ 77 # SUP 0.20 HN LYS+ 73 - HB2 ARG+ 78 # SUP 0.39 HB3 LYS+ 67 - HN LYS+ 73 # SUP 0.02 Upper HN HIS 69 - HB3 PHE 70 4.95 16 0.24 0.47 ++++++++++++ + + +* # peak 491 # SUP 5.68 Upper HN HIS 69 - HZ PHE 70 5.16 20 0.45 0.73 ++++++++++++++*+++++ # peak 495 # SUP 4.96 Upper HN ASP- 42 - QD2 LEU 50 5.49 8 0.08 0.26 + + + * + ++ + # peak 507 # SUP 0.82 Upper HN HIS 75 - HB3 LYS+ 76 3.83 13 0.16 0.40 ++*+ ++++ + ++ ++ # peak 519 # SUP 7.17 HN HIS 75 - HB2 ARG+ 78 # SUP 2.86 HN HIS 75 - HB3 LYS+ 77 # SUP 3.30 HB3 LEU 54 - HN HIS 75 # SUP 1.45 Upper HN HIS 75 - HG2 ARG+ 78 5.16 9 0.13 0.53 + ++ + ++ * ++ # peak 530 # SUP 1.71 HN HIS 75 - HG2 LYS+ 77 # SUP 2.73 HN HIS 75 - HB2 LEU 79 # SUP 1.15 Upper HN LEU 82 - HB3 GLU- 85 3.81 12 0.17 0.44 ++* +++ + ++ +++ # peak 532 # SUP 1.07 HG LEU 54 - HN LEU 82 # SUP 1.67 Upper HG LEU 79 - HN LYS+ 80 4.70 12 0.23 0.82 ++++*+ + +++ ++ # peak 550 # SUP 7.65 Upper HB3 ASN 65 - HN LYS+ 67 5.12 6 0.07 0.45 + + +++ * # peak 569 # SUP 4.11 Upper HG3 ARG+ 78 - HN LEU 79 4.42 12 0.15 0.56 + + ++++++ + *++ # peak 582 # SUP 7.66 Upper HG LEU 45 - HN LEU 50 4.15 7 0.08 0.32 +*+ + + ++ # peak 594 # SUP 4.45 Upper HG3 ARG+ 71 - HN SER 72 4.41 10 0.11 0.22 + +++ *++ + ++ # peak 626 # SUP 5.78 Upper HN SER 72 - HG3 LYS+ 73 5.10 8 0.08 0.30 ++* +++ ++ # peak 628 # SUP 2.97 HG2 LYS+ 67 - HN SER 72 # SUP 1.02 HN SER 72 - HG3 LYS+ 76 # SUP 2.14 HN SER 72 - HD2 LYS+ 76 # SUP 1.25 Upper HN HIS 69 - HN SER 72 5.50 14 0.18 0.49 ++ + +++ + ++ +++*+ # peak 632 # SUP 1.99 Upper HN SER 83 - HB3 GLU- 85 4.39 7 0.10 0.65 + + * + ++ + # peak 667 # SUP 1.06 HG LEU 54 - HN SER 83 # SUP 0.54 Upper HN GLY 48 - HA1 GLY 49 4.58 9 0.11 0.36 ++ ++ + + +* + # peak 694 # SUP 3.60 Upper HN GLY 47 - HA1 GLY 49 5.47 15 0.21 0.70 ++++++ +++++ ++ + * # peak 707 # SUP 1.93 Upper HN ARG+ 52 - HB2 LEU 79 4.47 7 0.11 0.61 +*+ + + + + # peak 739 # SUP 6.63 Upper HB3 PHE 41 - HN ARG+ 52 5.18 14 0.22 0.78 ++++++++ *++++ + # peak 745 # SUP 1.79 HB2 PHE 41 - HN ARG+ 52 # SUP 0.60 Upper HN ARG+ 52 - QD TYR 59 5.30 6 0.07 0.54 + + + + + * # peak 748 # SUP 2.94 Upper HN CYS 53 - HB2 LEU 79 4.41 19 0.41 0.68 +++++++++++*+++++ ++ # peak 755 # SUP 5.27 HN CYS 53 - QB ALA 55 # SUP 0.76 Upper HG3 ARG+ 52 - HN CYS 53 4.97 7 0.07 0.32 + + + *+ + + # peak 762 # SUP 5.35 Upper HN ARG+ 78 - HG3 ARG+ 78 3.99 8 0.13 0.48 + * + ++ + ++ # peak 767 # SUP 7.76 Upper HN LEU 45 - HD2 PRO 46 4.83 6 0.06 0.21 * + ++ + + # peak 786 # SUP 6.26 Upper HB3 ASP- 42 - HN LEU 45 5.33 11 0.12 0.31 + ++ ++ +++ ++* # peak 791 # SUP 4.23 Upper HG LEU 54 - HN ALA 55 4.84 7 0.08 0.31 + ++ + ++ * # peak 799 # SUP 6.64 Upper HN TYR 59 - QE PHE 60 5.03 6 0.06 0.20 + ++ * + + # peak 820 # SUP 4.94 Upper HN ASP- 44 - HG LEU 45 5.03 6 0.09 0.40 * + + + + + # peak 844 # SUP 3.78 Upper HB3 LYS+ 67 - HN THR 68 3.96 11 0.13 0.29 + + + +++ + ++*+ # peak 848 # SUP 6.68 HB3 LEU 66 - HN THR 68 # SUP 4.24 Upper HN GLY 49 - HB3 LEU 50 4.94 9 0.11 0.49 + ++ + *++++ # peak 865 # SUP 5.65 Upper HN GLY 49 - QE TYR 59 5.30 11 0.21 0.64 + ++ + ++++ +* + # peak 873 # SUP 2.06 Upper HN ASP- 62 - HB2 ASN 65 4.64 6 0.08 0.32 + * ++ + + # peak 880 # SUP 2.95 Upper HN PHE 41 - HB3 LYS+ 77 4.66 8 0.10 0.31 + + +++* ++ # peak 937 # SUP 0.75 Upper HN GLU- 91 - HG2 GLU- 93 4.29 10 0.11 0.49 + + +* +++ ++ + # peak 941 # SUP 0.95 Upper HN ALA 95 - HA ALA 96 4.37 20 0.40 0.76 ++++++++++++++++++*+ # peak 970 # SUP 1.00 Upper HA LYS+ 80 - HD3 LYS+ 80 4.41 9 0.17 0.56 + + +++* + ++ # peak 218 # SUP 5.33 Upper HB3 GLN 81 - HA GLN 89 4.09 7 0.09 0.35 + +++ + + * # peak 264 # SUP 0.75 Upper HA GLU- 40 - HG3 LYS+ 80 4.04 12 0.17 0.46 * +++ ++ + +++ ++ # peak 279 # SUP 1.93 HA GLU- 40 - HG2 LYS+ 80 # SUP 1.87 HA GLU- 40 - HD2 LYS+ 80 # SUP 1.87 Upper HB3 PRO 37 - HD2 PRO 43 3.86 14 0.20 0.53 +++ *++++++ + + ++ # peak 398 # SUP 2.39 Upper HB3 PRO 37 - HD3 PRO 43 3.84 11 0.14 0.45 ++ * + + ++ +++ + # peak 408 # SUP 3.00 Upper HB3 GLU- 93 - HG2 GLU- 93 2.40 9 0.12 0.34 + ++ + * + + ++ # peak 570 # SUP 3.40 Upper HA ALA 92 - HG2 GLU- 93 3.93 8 0.08 0.19 ++++ * ++ + # peak 573 # SUP 3.13 HG2 GLU- 93 - HA ARG+ 94 # SUP 3.38 HA GLN 89 - HG2 GLU- 93 # SUP 0.75 Upper HG3 PRO 43 - HB2 LYS+ 80 2.49 10 0.11 0.40 + + + * + ++++ + # peak 637 # SUP 1.72 HB3 PRO 43 - HB2 LYS+ 80 # SUP 1.50 Upper HA PHE 41 - HB2 LYS+ 80 3.31 16 0.30 0.66 ++++++ +++++ +* +++ # peak 638 # SUP 0.02 HA SER 72 - HB3 LYS+ 73 # SUP 0.02 HB3 SER 72 - HB3 LYS+ 73 # SUP 0.02 HA ARG+ 71 - HB3 LYS+ 73 # SUP 0.02 HB3 SER 72 - HB3 LYS+ 76 # SUP 0.02 Upper HD3 LYS+ 76 - HD2 LYS+ 77 3.61 11 0.16 0.54 + + ++ ++ *++++ # peak 715 # SUP 3.04 HG3 LYS+ 76 - HD2 LYS+ 77 # SUP 3.63 Upper HA GLU- 40 - HD3 LYS+ 80 4.31 12 0.32 1.03 ++ + +++ + ++*++ # peak 727 # SUP 1.85 Upper HA LYS+ 80 - HD3 LYS+ 80 4.08 8 0.10 0.40 + + ++ + * + + # peak 729 # SUP 5.33 HD3 LYS+ 80 - HA GLN 81 # SUP 3.65 HA ARG+ 78 - HD3 LYS+ 80 # SUP 0.31 Upper HG3 PRO 43 - HB2 LYS+ 80 2.40 7 0.11 0.39 + + + + *+ + # peak 765 # SUP 1.72 HG3 PRO 37 - HG3 PRO 43 # SUP 1.89 Upper HA GLU- 40 - HG3 LYS+ 80 4.50 9 0.12 0.49 ++ + ++* ++ + # peak 867 # SUP 1.93 HA GLU- 40 - HG2 LYS+ 80 # SUP 1.87 Upper HG LEU 45 - QD1 LEU 50 3.87 7 0.10 0.65 + + + + +* + # peak 1341 # SUP 3.00 Upper QD2 LEU 54 - HA LEU 82 3.62 12 0.16 0.48 +++ +++ *+ +++ + # peak 1361 # SUP 4.16 Upper HB3 HIS 69 - HB3 PHE 70 4.19 7 0.07 0.27 +++ *++ + # peak 1506 # SUP 6.27 HE3 LYS+ 67 - HB3 PHE 70 # SUP 1.22 HB3 PHE 70 - HB3 HIS 75 # SUP 0.46 Upper HB3 LEU 66 - HB3 PHE 70 4.90 6 0.06 0.28 + * + ++ + # peak 1507 # SUP 2.64 HB3 LYS+ 67 - HB3 PHE 70 # SUP 1.72 HB3 PHE 70 - HB3 LYS+ 76 # SUP 0.14 Upper HN HIS 69 - HA PHE 70 4.86 20 0.17 0.27 +++++++++++*++++++++ # peak 1514 # SUP 5.67 Upper HB3 ARG+ 58 - HZ PHE 60 5.50 12 0.14 0.40 ++ +*+ + + ++++ + # peak 1529 # SUP 2.95 Upper HA PHE 60 - HB ILE 61 5.07 20 0.38 0.57 +++++++++++++++*++++ # peak 1577 # SUP 0.02 HA TYR 59 - HB ILE 61 # SUP 0.02 Upper HN GLU- 40 - HB2 PHE 41 4.72 16 0.37 0.70 +++++++ ++* + ++++ + # peak 1618 # SUP 1.87 HN GLU- 40 - HB3 PHE 41 # SUP 2.21 Upper HB3 LEU 66 - HA LYS+ 67 4.40 7 0.08 0.25 + ++ ++* + # peak 1644 # SUP 8.10 HA SER 63 - HB3 LEU 66 # SUP 4.01 Upper HB2 LEU 82 - HN ALA 96 4.08 14 0.12 0.30 ++++ +++ + +++*+ + # peak 1673 # SUP 1.50 Upper HA LEU 82 - HB3 GLU- 85 3.64 15 0.21 0.72 ++++++ +++*+++ + + # peak 1682 # SUP 1.52 HG LEU 54 - HA LEU 82 # SUP 1.78 Upper HB2 ASP- 42 - HB2 LEU 45 5.50 9 0.13 0.44 + ++ ++++ * + # peak 1692 # SUP 3.00 HB2 LEU 45 - HB3 TYR 59 # SUP 3.53 Upper HB2 ASP- 36 - HA ASP- 74 5.50 15 0.16 0.31 + ++++++ + +++++*+ # peak 1761 # SUP 0.75 Upper HA LEU 45 - HB2 TYR 59 5.27 20 0.35 0.67 +++++++++++++++++*++ # peak 1779 # SUP 1.72 Upper HN GLU- 90 - HG2 GLU- 93 4.21 8 0.13 0.55 +++ + +++ * # peak 1840 # SUP 0.71 Upper HA THR 68 - HA HIS 69 4.38 20 0.27 0.32 +++++++++++*++++++++ # peak 1891 # SUP 3.84 Upper HA THR 68 - HB3 HIS 69 5.50 20 0.19 0.30 ++++++++*+++++++++++ # peak 1892 # SUP 0.02 HB3 ASP- 62 - HA THR 68 # SUP 0.02 Upper HA HIS 51 - HG LEU 66 4.21 14 0.28 0.60 +++* ++++++ ++++ # peak 1897 # SUP 2.22 Upper HB2 PHE 60 - QD1 LEU 66 4.46 11 0.10 0.29 + ++ ++++ + +*+ # peak 1898 # SUP 5.78 QD1 LEU 66 - HB2 HIS 69 # SUP 4.37 Upper HG LEU 66 - QD PHE 70 4.27 15 0.18 0.39 ++++ +*+ + +++ ++++ # peak 1902 # SUP 3.56 HG LEU 66 - HN HIS 69 # SUP 5.01 Upper HA ARG+ 58 - HG LEU 79 4.59 12 0.27 0.98 + + ++*++ +++++ # peak 1918 # SUP 2.40 Upper HN LEU 79 - HG LEU 79 4.29 17 0.20 0.30 ++++++ + ++++++ ++*+ # peak 1919 # SUP 7.85 Upper HN TYR 59 - HG LEU 79 4.88 18 0.39 0.90 ++ ++++*++++ +++++++ # peak 1920 # SUP 4.75 Upper HB2 TYR 59 - HG LEU 79 4.49 18 0.36 0.84 +++++++*+ +++++++++ # peak 1952 # SUP 1.97 HD2 ARG+ 58 - HG LEU 79 # SUP 2.66 HB2 CYS 53 - HG LEU 79 # SUP 0.18 Upper HA SER 63 - HB3 LEU 66 4.08 7 0.12 0.63 + ++*+ + + # peak 1965 # SUP 4.01 HA SER 63 - HB3 LYS+ 67 # SUP 1.96 Upper HB3 ASP- 42 - QD2 LEU 45 4.60 17 0.32 0.74 ++++++++*++++ + +++ # peak 1995 # SUP 3.86 Upper QD2 LEU 45 - QE TYR 59 4.72 9 0.13 0.42 + ++ + + * +++ # peak 2003 # SUP 2.00 Upper HN ALA 55 - HB3 CYS 56 5.40 6 0.09 0.56 +* ++ + + # peak 2010 # SUP 4.14 Upper HB3 LEU 54 - HB3 HIS 75 3.89 7 0.09 0.46 + + + ++ *+ # peak 2027 # SUP 0.79 HB3 LEU 54 - HB2 HIS 75 # SUP 0.21 Upper QD1 LEU 45 - HD2 PRO 46 4.07 18 0.29 0.55 ++++++++*+ ++ ++++++ # peak 2055 # SUP 7.39 Upper QD1 LEU 45 - HD3 PRO 46 4.24 20 0.38 0.52 +++++++++*++++++++++ # peak 2062 # SUP 7.21 Upper HA ASP- 42 - HD3 PRO 43 3.58 17 0.21 0.31 ++++++++++*++ + +++ # peak 2066 # SUP 3.56 Upper HA2 GLY 48 - HN LEU 50 5.17 9 0.17 0.49 + ++ ++ *+ + + # peak 2085 # SUP 2.72 Upper HA LYS+ 76 - QD2 LEU 79 4.37 15 0.24 0.56 *+++++ + ++ +++ +++ # peak 2110 # SUP 2.22 Upper QD1 ILE 61 - HA ASP- 62 4.79 10 0.09 0.27 + + +++*+++ + # peak 2160 # SUP 4.98 Upper HA LEU 66 - HA HIS 69 4.95 12 0.28 0.76 *++ +++++ + + ++ # peak 2178 # SUP 2.25 Upper HN TYR 59 - QD1 LEU 79 5.24 11 0.19 0.48 + + ++ + ++ +++* # peak 2202 # SUP 2.30 Upper HN GLN 81 - HG2 GLN 81 4.48 8 0.07 0.19 + + +*+ ++ + # peak 2213 # SUP 5.30 Upper HE3 LYS+ 76 - HG2 LYS+ 77 4.30 7 0.09 0.64 + + + +*+ + # peak 2262 # SUP 3.18 HG2 LYS+ 77 - HE3 LYS+ 80 # SUP 0.30 Upper HB3 ASP- 74 - HE1 HIS 75 4.23 7 0.09 0.28 + *+ + + ++ # peak 52 # SUP 1.72 HB2 CYS 53 - HE1 HIS 75 # SUP 0.21 Upper HB3 LEU 54 - HE1 HIS 75 4.67 11 0.19 0.66 + +++ + + ++*++ # peak 54 # SUP 0.56 HE1 HIS 75 - HB2 ARG+ 78 # SUP 0.56 HG3 ARG+ 71 - HE1 HIS 75 # SUP 0.24 Upper HD2 ARG+ 58 - QD TYR 59 3.62 6 0.10 0.56 + *+ + ++ # peak 88 # SUP 4.45 HB2 CYS 53 - QD TYR 59 # SUP 2.20 Upper QD TYR 59 - HB2 LEU 79 4.38 20 0.58 0.99 +++++++*++++++++++++ # peak 91 # SUP 2.00 Upper QD PHE 60 - QD1 LEU 66 3.89 14 0.29 0.53 + ++ +++*+++++++ # peak 113 # SUP 6.94 Upper QD PHE 60 - HN ASN 65 4.61 15 0.25 0.54 ++ + +++++++++*++ # peak 116 # SUP 3.42 Upper HG LEU 66 - QD PHE 70 4.40 13 0.15 0.37 ++++ +*+ + + + + ++ # peak 139 # SUP 3.56 Upper QE PHE 60 - HN LEU 66 4.27 9 0.11 0.63 + + *+++ + + + # peak 148 # SUP 2.80 Upper HD3 ARG+ 58 - QE PHE 60 5.31 6 0.10 0.37 + + +++* # peak 155 # SUP 2.36 Upper QE PHE 60 - HG LEU 66 4.43 6 0.08 0.48 ++ +++ * # peak 157 # SUP 4.00 QE PHE 60 - QD1 ILE 61 # SUP 4.69 Upper QE PHE 60 - QD1 LEU 66 4.40 7 0.08 0.34 ++ ++ *+ + # peak 158 # SUP 4.63 Upper HN LEU 66 - QE PHE 70 4.18 20 0.54 0.73 +++++++++++++++*++++ # peak 166 # SUP 3.06 Upper HA LYS+ 67 - HZ PHE 70 5.23 19 0.46 0.77 ++*++ ++++++++++++++ # peak 178 # SUP 6.09 HA PHE 70 - HZ PHE 70 # SUP 5.26 HA THR 68 - HZ PHE 70 # SUP 3.54 Upper HA2 GLY 49 - QE TYR 59 4.47 12 0.27 0.81 +++* + +++ ++ ++ # peak 220 # SUP 3.39 Upper QE TYR 59 - HB2 LEU 79 4.42 6 0.08 0.26 ++ + + *+ # peak 224 # SUP 2.73 Angle PHI CYS 53 265.00 307.00 10 5.82 14.93 +++++ + * ++ + Angle PHI LEU 54 289.00 309.00 9 4.36 12.13 *+ ++++ + + + Angle PHI TYR 59 206.00 254.00 11 7.20 14.07 * + ++++ ++ ++ + Angle PHI THR 64 280.00 300.00 10 5.25 11.38 + ++++++ *++ Angle PSI THR 64 309.00 329.00 14 9.18 17.81 + *+ +++++++++++ Angle PHI ASN 65 287.00 307.00 9 3.78 9.84 + ++ ++ *+++ Angle PSI ASN 65 309.00 335.00 13 6.92 13.89 + ++ ++++++ +*++ Angle PHI LEU 66 285.00 305.00 9 5.45 14.94 ++ ++ +* +++ Angle PSI THR 68 309.00 329.00 17 8.10 15.41 ++ + ++++ +++++*++++ Angle PHI HIS 69 285.00 305.00 10 5.88 12.67 ++* +++ + + ++ Angle PSI HIS 69 311.00 331.00 6 2.39 7.33 *+ ++ ++ Angle PHI PHE 70 266.00 302.00 10 8.11 17.83 +++ +++ + + +* Angle PSI PHE 70 329.00 5.00 8 3.89 10.84 ++* ++ + ++ Angle PHI LYS+ 77 285.00 305.00 7 4.48 19.17 + + + + ++* Angle PSI ARG+ 78 312.00 332.00 6 3.97 16.16 + + * ++ + Angle PHI LEU 79 285.00 305.00 15 6.96 12.91 + + + ++++++++++*+ 112 violated distance constraints. 16 violated angle constraints. RMSDs for residues 40..82: Average backbone RMSD to mean : 0.69 +/- 0.14 A (0.51..1.00 A) Average heavy atom RMSD to mean : 1.32 +/- 0.20 A (1.01..1.63 A)