Structural statistics: str target upper limits van der Waals torsion angles function # sum max # sum max # sum max 1 41.08 58 43.4 1.11 23 29.5 0.51 44 647.2 25.55 2 43.23 60 43.2 1.21 36 30.9 0.58 36 517.0 32.46 3 44.76 61 46.4 1.32 30 30.5 0.47 45 684.6 24.57 4 46.21 66 47.7 0.93 38 32.6 0.53 42 636.5 37.78 5 47.44 65 48.9 1.35 28 34.7 0.49 41 592.6 25.92 6 47.53 69 48.4 1.14 30 31.6 0.56 43 622.4 29.06 7 47.58 56 44.2 1.30 26 27.2 0.53 45 735.2 32.06 8 49.19 73 51.7 1.27 27 31.9 0.61 41 574.9 29.41 9 49.98 54 44.0 1.72 24 29.1 0.51 45 707.6 32.20 10 50.23 62 51.0 1.44 34 32.7 0.45 46 635.0 26.18 11 50.57 58 46.8 1.20 31 37.0 0.48 47 753.8 36.55 12 51.53 58 46.0 1.24 42 37.4 0.64 51 786.9 25.08 13 51.53 64 52.9 1.47 35 34.4 0.44 44 591.0 27.61 14 52.22 67 45.6 1.30 43 38.8 0.40 49 736.9 30.98 15 52.65 65 52.9 1.16 28 30.7 0.65 40 658.1 29.73 16 53.76 68 51.5 1.26 27 33.0 0.43 48 742.1 33.77 17 53.77 72 55.1 1.31 31 34.8 0.71 49 651.2 40.19 18 53.83 75 53.8 1.21 40 38.1 0.54 49 609.5 30.16 19 54.26 76 54.7 1.55 30 33.8 0.63 38 600.9 32.81 20 54.33 81 54.7 1.00 48 38.6 0.54 47 678.1 28.71 Ave 49.78 65 49.1 1.27 33 33.4 0.53 45 658.1 30.54 +/- 3.76 7 4.0 0.18 7 3.3 0.08 4 67.9 4.20 Min 41.08 54 43.2 0.93 23 27.2 0.40 36 517.0 24.57 Max 54.33 81 55.1 1.72 48 38.8 0.71 51 786.9 40.19 Constraints violated in 6 or more structures: Cutoffs: Upper distance limits : 0.30 A Lower distance limits : 0.20 A Angle constraints : 5.00 deg # mean max. 1 5 10 15 20 Upper QE PHE 21 - QD1 LEU 43 4.86 11 0.30 0.78 + +* + ++ + ++ ++ # peak 168 # SUP 1.15 Upper QD1 LEU 43 - HG LEU 67 4.09 6 0.21 0.70 ++ *+ ++ # peak 266 # SUP 1.04 QG2 VAL 40 - QD1 LEU 43 # SUP 0.75 Upper HA PRO 52 - HA ARG+ 53 4.24 7 0.28 0.50 +*++ + ++ # peak 932 # SUP 1.00 Upper QD1 ILE 19 - HB3 MET 97 3.33 11 0.40 1.22 + + ++ + * +++++ # peak 1114 # SUP 3.88 Upper HA LEU 90 - HG2 LYS+ 110 3.53 11 0.35 0.82 + + ++ + + *++ + + # peak 1152 # SUP 2.42 HA LEU 90 - HG3 LYS+ 110 # SUP 1.84 HG LEU 17 - HA LEU 90 # SUP 0.67 HB3 LEU 17 - HA LEU 90 # SUP 0.60 Upper QD1 ILE 19 - HE2 LYS+ 20 4.68 6 0.25 0.81 ++ *+++ # peak 1670 # SUP 2.62 HG12 ILE 19 - HE2 LYS+ 20 # SUP 2.81 HE2 LYS+ 20 - QG2 ILE 101 # SUP 0.24 Upper HG12 ILE 19 - HB3 LYS+ 20 4.26 6 0.22 1.13 ++ *++ + # peak 1849 # SUP 3.26 QD1 ILE 19 - HB2 LYS+ 20 # SUP 3.25 HG12 ILE 19 - HB2 LYS+ 20 # SUP 3.31 QD1 ILE 19 - HB3 LYS+ 20 # SUP 2.11 Upper HB3 PRO 31 - HA ILE 68 4.58 9 0.38 1.11 + *+ +++ ++ + # peak 1893 # SUP 2.10 Upper QG2 THR 24 - HB2 PRO 116 4.03 8 0.24 0.75 *++++ + + + # peak 2055 # SUP 0.73 HB3 LEU 90 - HB2 PRO 116 # SUP 0.37 HB3 LEU 23 - HB2 PRO 116 # SUP 0.22 Upper HB3 GLN 102 - HA ALA 103 3.85 17 0.36 0.51 ++++++++ ++*++ +++ + # peak 2157 # SUP 1.72 HA ILE 101 - HB3 GLN 102 # SUP 1.63 HA ILE 100 - HB3 GLN 102 # SUP 0.52 Upper HB VAL 47 - QG2 ILE 48 4.68 7 0.19 0.62 ++ ++ ++* # peak 2170 # SUP 4.38 HB VAL 47 - HG LEU 74 # SUP 0.29 Upper HB2 TRP 51 - HD2 PRO 52 3.92 10 0.35 0.79 + ++ ++ *+ ++ + # peak 2274 # SUP 4.00 Upper HB2 GLU- 45 - HB2 GLU- 50 3.67 6 0.17 0.82 + + * ++ + # peak 2325 # SUP 1.63 HB2 GLU- 50 - HG3 PRO 86 # SUP 1.05 HB3 GLU- 45 - HB2 GLU- 50 # SUP 2.11 Upper HG13 ILE 19 - HA ILE 68 4.83 10 0.43 1.35 ++++*++ ++ + # peak 2485 # SUP 1.72 Upper QG2 VAL 94 - HB THR 96 3.92 9 0.29 0.90 + +++ + + + +* # peak 2501 # SUP 1.43 QD1 ILE 19 - HB THR 96 # SUP 2.16 HG12 ILE 19 - HB THR 96 # SUP 2.06 Upper QD2 LEU 67 - HB ILE 68 3.69 12 0.36 0.91 + ++ +++ ++ + ++* # peak 2526 # SUP 4.22 Upper HG3 PRO 104 - HD2 PRO 112 3.63 7 0.26 1.09 + + ++ + *+ # peak 2538 # SUP 1.18 Upper HA LEU 43 - QD2 LEU 74 4.37 13 0.53 1.30 ++ ++++++ ++ *+ + # peak 2672 # SUP 0.90 Upper HB2 LEU 67 - QD2 LEU 74 3.37 9 0.40 1.47 ++ + ++ * + ++ # peak 2676 # SUP 2.77 QD2 LEU 74 - HG3 ARG+ 84 # SUP 1.27 Upper HA1 GLY 30 - HG3 PRO 31 4.22 10 0.42 1.72 ++++*+ ++ ++ # peak 2696 # SUP 2.82 Upper QD1 LEU 17 - HA PRO 104 4.22 6 0.19 0.57 +* ++ ++ # peak 2717 # SUP 0.80 QD1 LEU 17 - HA ILE 29 # SUP 0.37 QD1 LEU 17 - HA LEU 90 # SUP 0.31 Upper HB2 LYS+ 20 - HB3 ASP- 28 5.25 6 0.16 0.56 +*+ ++ + # peak 3329 # SUP 2.81 HD3 LYS+ 20 - HB3 ASP- 28 # SUP 2.61 HB3 LYS+ 20 - HB3 ASP- 28 # SUP 1.75 Upper HB2 LEU 67 - HB ILE 68 4.99 15 0.58 1.15 + + ++++ +++*+++++ # peak 3333 # SUP 5.73 HB3 LYS+ 32 - HB ILE 68 # SUP 0.13 HD3 LYS+ 32 - HB ILE 68 # SUP 0.13 Upper QD1 LEU 23 - HG12 ILE 29 3.68 12 0.36 0.95 + +++ +++ ++*++ # peak 3371 # SUP 1.36 QD1 LEU 23 - QG2 ILE 29 # SUP 1.04 QD1 LEU 23 - QG2 VAL 99 # SUP 1.98 Upper QD2 LEU 23 - HB VAL 99 5.33 10 0.37 1.17 ++ + * + ++ +++ # peak 3392 # SUP 0.23 Upper QD2 LEU 23 - HZ2 TRP 51 5.09 6 0.21 0.69 + + ++ *+ # peak 3399 # SUP 2.96 Upper QD2 LEU 17 - HA PRO 104 4.93 6 0.19 0.63 ++ + + + * # peak 3424 # SUP 0.78 QD2 LEU 17 - HA ILE 29 # SUP 0.38 QD2 LEU 17 - HA LEU 90 # SUP 0.29 Upper HA1 GLY 30 - HG3 LYS+ 32 5.50 7 0.23 0.58 + ++ ++* + # peak 3456 # SUP 0.99 HD3 PRO 31 - HG3 LYS+ 32 # SUP 3.38 Upper HA1 GLY 30 - HG2 LYS+ 32 5.43 6 0.19 0.64 + + ++* + # peak 3457 # SUP 1.00 HD3 PRO 31 - HG2 LYS+ 32 # SUP 3.16 Upper HG12 ILE 19 - HB THR 95 5.44 6 0.19 0.66 + +* + + + # peak 3470 # SUP 1.24 Upper QE PHE 21 - QD2 LEU 67 5.23 6 0.22 0.87 + + ++ +* # peak 3484 # SUP 1.94 QD2 LEU 67 - QD TYR 83 # SUP 0.33 Upper HN LEU 17 - HB3 GLU- 18 5.10 11 0.31 1.23 ++++ + + + + *+ + # peak 3531 # SUP 5.12 HB3 GLU- 18 - HN MET 97 # SUP 0.59 Upper HB3 LYS+ 20 - HB ILE 29 5.02 12 0.39 1.20 ++ + ++ +* +++++ # peak 3637 # SUP 2.43 HB2 LYS+ 20 - HB ILE 29 # SUP 2.78 HB3 LYS+ 20 - HG3 PRO 31 # SUP 1.68 HB2 LYS+ 20 - HG3 PRO 31 # SUP 1.48 Upper HG3 GLU- 45 - HB2 SER 85 4.90 15 0.49 1.11 * +++ ++++++++ +++ # peak 3645 # SUP 0.99 HG3 GLU- 45 - HD2 PRO 86 # SUP 0.72 HG3 GLU- 45 - HD3 PRO 86 # SUP 0.69 HG2 GLU- 45 - HD2 PRO 86 # SUP 0.72 HG2 GLU- 45 - HD3 PRO 86 # SUP 0.74 HG2 GLU- 45 - HB2 SER 85 # SUP 0.16 Upper HG2 GLU- 18 - HA GLN 102 5.03 7 0.26 0.92 + * +++ + + # peak 3652 # SUP 1.10 HG2 GLU- 18 - HA ALA 33 # SUP 1.14 HG2 GLU- 18 - HA HIS+ 98 # SUP 0.09 Upper HG2 GLU- 18 - HA ILE 101 5.50 7 0.19 0.47 ++++ ++* # peak 3653 # SUP 1.38 HG2 GLU- 18 - HA ALA 103 # SUP 0.88 HG2 GLU- 18 - HA ILE 100 # SUP 0.44 HG2 GLU- 18 - HA LYS+ 32 # SUP 0.14 HG2 GLU- 18 - HA VAL 99 # SUP 0.16 Upper HB ILE 48 - HB2 SER 85 5.17 16 0.52 1.26 ++++++++ ++ +*++++ # peak 3673 # SUP 1.50 HB ILE 48 - HD2 PRO 86 # SUP 1.15 HB ILE 48 - HD3 PRO 86 # SUP 1.97 Upper HN LEU 43 - HB ILE 68 5.07 9 0.28 0.88 + *+ + + + ++ + # peak 3695 # SUP 3.17 HB ILE 68 - HN LYS+ 72 # SUP 0.33 Upper QE PHE 21 - HB3 LEU 43 5.50 6 0.15 0.67 + ++ ++ * # peak 3699 # SUP 2.34 QE PHE 21 - HB2 LEU 43 # SUP 2.57 Upper QD1 ILE 19 - HB3 PHE 34 5.40 14 0.46 1.20 ++++++++ *+++ ++ # peak 3792 # SUP 0.02 HB3 PHE 34 - QD1 ILE 68 # SUP 0.02 QD1 ILE 19 - HD3 PRO 35 # SUP 0.02 QD1 ILE 19 - HD3 ARG+ 84 # SUP 0.02 QD1 ILE 68 - HD3 ARG+ 84 # SUP 0.02 Upper HB2 LEU 67 - QD1 ILE 68 3.51 13 0.41 0.88 + ++ + +++++ +*++ # peak 3797 # SUP 0.02 QD1 ILE 68 - HB3 MET 97 # SUP 0.02 HB3 LEU 17 - QD1 ILE 68 # SUP 0.02 QD1 ILE 68 - HB ILE 100 # SUP 0.02 HD3 LYS+ 32 - QD1 ILE 68 # SUP 0.02 HG LEU 23 - QD1 ILE 68 # SUP 0.02 HB3 ARG+ 22 - QD1 ILE 68 # SUP 0.02 Upper QG1 VAL 94 - HB THR 95 4.30 9 0.25 0.68 +++ + + ++ *+ # peak 3850 # SUP 1.82 HA1 GLY 92 - QG1 VAL 94 # SUP 0.63 Upper HB3 LYS+ 72 - QG2 VAL 94 3.67 13 0.34 0.81 ++++ ++ + ++ +*++ # peak 3852 # SUP 4.45 QG2 VAL 94 - HB2 PRO 104 # SUP 1.59 Upper QB ALA 91 - QG2 VAL 94 3.83 9 0.30 0.82 * ++ ++ + +++ # peak 3853 # SUP 2.43 HG13 ILE 19 - QG2 VAL 94 # SUP 0.08 Upper QD1 ILE 19 - QD PHE 34 3.99 13 0.52 1.00 ++ + + + ++ ++ +++* # peak 291 # SUP 3.59 HG12 ILE 19 - QD PHE 34 # SUP 2.63 Upper QD PHE 21 - HB3 ARG+ 22 4.41 8 0.29 0.86 + + + *+ + ++ # peak 302 # SUP 1.90 QD PHE 21 - HB3 MET 97 # SUP 0.42 Upper HD1 TRP 51 - HD2 PRO 52 4.66 14 0.43 0.86 +++ +++ + +++++*+ # peak 525 # SUP 3.38 Upper HA TYR 83 - QE TYR 83 4.90 9 0.31 0.79 *+ + ++ + + ++ # peak 547 # SUP 2.20 Upper QD TYR 83 - HG3 ARG+ 84 4.58 14 0.40 0.89 +++ ++++*+ ++++ + # peak 551 # SUP 3.11 HB3 LYS+ 81 - QD TYR 83 # SUP 0.93 Upper QG2 ILE 19 - QD PHE 34 5.02 6 0.19 1.24 ++ + + * + # peak 563 # SUP 2.55 Upper HB2 LEU 17 - QE PHE 34 4.26 11 0.34 0.76 ++ + + ++++*+ + # peak 569 # SUP 0.65 HG3 LYS+ 20 - QE PHE 34 # SUP 1.81 QE PHE 34 - QG2 THR 46 # SUP 0.02 Upper HN LYS+ 66 - HB2 LEU 67 4.18 9 0.45 1.32 * + ++ + +++ + # peak 25 # SUP 1.68 Upper HA GLU- 18 - HN GLN 102 4.47 18 0.64 1.23 ++++++++++++++++*+ # peak 45 # SUP 1.05 Upper HG12 ILE 19 - HN MET 97 3.92 9 0.30 0.74 ++++ * ++ + + # peak 69 # SUP 4.03 QD1 ILE 19 - HN MET 97 # SUP 3.92 QG2 VAL 94 - HN MET 97 # SUP 0.98 Upper QG2 ILE 19 - HN LYS+ 20 3.87 7 0.20 0.58 + + + + * + + # peak 125 # SUP 4.84 Upper HN ARG+ 22 - HG12 ILE 29 4.39 11 0.33 0.76 +* ++ + + ++ ++ + # peak 135 # SUP 3.46 HN ARG+ 22 - QG2 ILE 29 # SUP 3.46 HN ARG+ 22 - QG2 VAL 99 # SUP 0.96 Upper HN TRP 51 - HD2 PRO 52 3.50 20 0.72 1.07 ++++*+++++++++++++++ # peak 170 # SUP 3.63 Upper QG2 THR 95 - HN THR 96 3.91 6 0.22 0.48 + + + + *+ # peak 188 # SUP 4.65 Upper HN THR 96 - HB3 MET 97 4.87 13 0.44 0.96 ++* ++ ++ + ++++ + # peak 191 # SUP 2.60 Upper HN LEU 17 - HG2 GLU- 18 4.21 17 0.47 0.85 +++++++++++++ +++ * # peak 211 # SUP 5.11 HN LEU 17 - HB3 GLN 102 # SUP 1.43 Upper HG3 PRO 112 - HN LYS+ 113 4.69 13 0.36 0.70 +++ +++ +*+ ++ + + # peak 400 # SUP 3.78 HB2 PRO 104 - HN LYS+ 113 # SUP 0.34 Upper HB3 ARG+ 53 - HN LYS+ 55 3.64 19 0.62 0.91 ++++*+++++ +++++++++ # peak 413 # SUP 1.84 Upper HB VAL 94 - HN LYS+ 113 4.07 13 0.36 0.82 ++ ++++ * ++++ ++ # peak 442 # SUP 0.50 HB3 GLU- 18 - HN LYS+ 113 # SUP 0.02 Upper HN LYS+ 72 - QG2 VAL 94 3.95 11 0.39 1.09 + ++ ++ ++ * + ++ # peak 445 # SUP 2.61 QD1 ILE 19 - HN LYS+ 72 # SUP 1.71 HG12 ILE 19 - HN LYS+ 72 # SUP 0.58 Upper HN LEU 90 - HG2 LYS+ 110 3.36 15 0.55 1.10 + +++++ +++ +++*++ # peak 491 # SUP 1.66 HN LEU 90 - HG3 LYS+ 110 # SUP 0.71 Upper QB ALA 91 - HN VAL 94 4.28 6 0.25 0.79 ++ + + *+ # peak 517 # SUP 1.49 Upper HN LEU 17 - HN LYS+ 32 4.23 16 0.68 1.21 ++ +++ ++++ *++ ++++ # peak 531 # SUP 1.18 Upper QD1 LEU 23 - HN VAL 99 4.89 11 0.30 0.78 +* + ++ + +++ ++ # peak 541 # SUP 2.58 HN VAL 99 - QD1 ILE 101 # SUP 0.26 Upper HA ASN 76 - HN VAL 80 3.78 20 0.57 1.30 ++++++*+++++++++++++ # peak 660 # SUP 0.73 HA SER 77 - HN VAL 80 # SUP 0.79 Upper HN LEU 17 - HN PHE 34 4.41 14 0.46 1.16 ++ +++ +++ ++*+++ # peak 691 # SUP 2.40 Upper HN THR 46 - HB2 GLU- 50 4.28 11 0.40 0.82 + + + +++ +++ *+ # peak 714 # SUP 0.85 Upper HN GLU- 50 - HG3 GLU- 50 3.69 9 0.22 0.54 +++ ++++ * + # peak 726 # SUP 4.15 Upper HN GLU- 64 - HN VAL 65 3.72 7 0.17 0.64 + ++ *+ + + # peak 744 # SUP 4.23 Upper HN GLU- 45 - HB3 LEU 67 4.30 12 0.41 0.85 ++ *+++++ + ++ + # peak 752 # SUP 1.09 HG LEU 43 - HN GLU- 45 # SUP 0.86 Upper HN GLU- 45 - QG2 VAL 62 4.08 10 0.40 1.11 + + ++ ++ * ++ + # peak 761 # SUP 1.06 QG2 ILE 29 - HN GLU- 45 # SUP 1.07 HG12 ILE 29 - HN GLU- 45 # SUP 1.70 HN GLU- 45 - HG12 ILE 68 # SUP 0.79 Upper HN LYS+ 44 - HB3 LEU 67 4.22 9 0.38 1.15 + ++ ++ + +*+ # peak 780 # SUP 2.33 Upper HN LYS+ 44 - QD1 LEU 67 4.46 9 0.31 0.98 * +++ + +++ + # peak 781 # SUP 1.54 HN LYS+ 44 - HG13 ILE 68 # SUP 0.80 QG1 VAL 40 - HN LYS+ 44 # SUP 0.75 Upper HA1 GLY 26 - HN ASP- 28 3.37 18 0.63 0.95 ++++ ++++*++++ +++++ # peak 824 # SUP 2.05 HA2 GLY 26 - HN ASP- 28 # SUP 1.34 Upper HB3 SER 27 - HN ASP- 28 3.97 7 0.15 0.47 * ++++ + + # peak 827 # SUP 3.13 Upper HN SER 41 - HA ALA 42 4.24 20 0.75 0.99 +++++++++++++++++*++ # peak 934 # SUP 1.31 Upper HN SER 77 - HB2 LYS+ 78 4.73 17 0.39 0.63 ++++++ ++++++++++* # peak 1002 # SUP 2.12 Upper HN GLY 26 - HN SER 27 3.93 7 0.25 0.66 + ++ ++* + # peak 1031 # SUP 2.61 Upper QD1 ILE 19 - HN GLY 71 3.89 6 0.16 0.43 + + *+ + + # peak 1074 # SUP 1.40 HN GLY 71 - QG2 VAL 94 # SUP 1.36 HG12 ILE 19 - HN GLY 71 # SUP 0.60 Upper HN THR 24 - HA ASP- 115 3.86 12 0.41 1.06 + ++ +++ + + * +++ # peak 1091 # SUP 1.58 HN THR 24 - HA PRO 116 # SUP 2.71 Upper HD3 PRO 31 - HN LYS+ 32 4.72 15 0.40 0.51 + + ++*+ +++++++++ # peak 1102 # SUP 2.91 HA1 GLY 30 - HN LYS+ 32 # SUP 2.74 Upper HN LYS+ 20 - HA2 GLY 30 4.35 13 0.52 1.44 + + + +++* + +++++ # peak 1163 # SUP 1.62 Angle PHI ILE 19 239.00 273.00 6 3.46 10.67 + + +++* Angle PHI LYS+ 20 204.00 242.00 12 7.41 21.24 * + + + +++++ ++ + Angle PSI LYS+ 20 128.00 162.00 8 5.09 24.08 ++ + ++* ++ Angle PSI PHE 21 106.00 132.00 9 6.06 22.43 + + + + + *+++ Angle PHI ARG+ 22 225.00 267.00 7 3.38 12.30 + + ++ + +* Angle PHI ASP- 28 210.00 256.00 14 8.58 21.80 ++ + * ++++ ++ ++++ Angle PSI ASP- 28 127.00 157.00 13 8.11 24.57 ++*++ + ++ ++ ++ + Angle PHI ILE 29 214.00 268.00 11 6.19 16.63 + +++ + +* + ++ + Angle PSI ILE 29 109.00 149.00 12 6.82 25.08 ++ +++ *++ ++++ Angle PSI PRO 31 128.00 150.00 14 9.72 28.71 + +++ ++ + ++++++ * Angle PHI LYS+ 32 205.00 253.00 6 5.84 29.53 * ++ + ++ Angle PSI LYS+ 32 137.00 157.00 19 13.83 24.76 +++ +++++++++++++++* Angle PHI ALA 33 246.00 278.00 14 12.84 28.19 +++ * + +++++++++ Angle PSI ALA 33 120.00 148.00 13 11.76 34.51 ++ *++ +++++ ++ + Angle PSI PHE 34 116.00 164.00 6 2.95 8.68 + + ++* + Angle PHI THR 38 261.00 293.00 6 3.99 9.79 + + ++ * + Angle PSI VAL 40 319.00 339.00 10 4.88 8.20 + + +++ + ++* + Angle PHI ALA 42 282.00 302.00 6 3.03 8.00 *+ + + ++ Angle PSI LEU 43 314.00 338.00 12 7.07 17.19 + +++++ +++*++ Angle PSI LYS+ 44 314.00 10.00 6 3.31 18.70 + + *+ + + Angle PHI GLU- 45 283.00 303.00 6 4.12 17.09 + + *+ + + Angle PHI THR 46 286.00 306.00 7 3.80 8.20 +* +++ + + Angle PSI VAL 47 304.00 324.00 8 3.69 14.07 + + ++ ++ * + Angle PHI ILE 48 291.00 311.00 8 4.51 15.92 + ++ +++* + Angle PHI TRP 51 251.00 281.00 6 3.67 9.36 + + ++ + * Angle PSI ARG+ 53 314.00 334.00 18 7.80 17.30 +++ +++++*+++++++++ Angle PSI VAL 62 316.00 336.00 7 3.47 9.70 + + ++ + * + Angle PSI VAL 65 92.00 130.00 9 5.18 16.05 + + + + *++ ++ Angle PHI LYS+ 66 235.00 281.00 7 4.67 23.00 ++ + +* + + Angle PSI LYS+ 66 118.00 152.00 8 4.28 16.89 +++ + *+ ++ Angle PHI LEU 67 223.00 259.00 13 8.13 17.16 ++ ++++ + + +++ * + Angle PSI LEU 67 135.00 155.00 11 8.86 26.18 + + ++ *++ +++ + Angle PHI ILE 68 227.00 253.00 15 13.20 37.78 +++* + ++ +++++ ++ + Angle PHI VAL 73 244.00 278.00 8 4.25 14.39 + ++ + *+ ++ Angle PHI THR 79 222.00 272.00 17 9.33 14.55 +++++++ *+++ ++++++ Angle PSI THR 79 148.00 174.00 20 13.83 30.56 ++++++++*+++++++++++ Angle PSI ARG+ 84 118.00 162.00 10 5.63 16.54 *+ +++ +++ ++ Angle PHI SER 85 256.00 276.00 8 5.49 11.80 *+ + + +++ + Angle PSI SER 85 113.00 153.00 14 7.83 15.51 + ++++ ++ ++ *++++ Angle PSI GLY 92 349.00 11.00 20 18.76 28.89 +++++++++++++*++++++ Angle PHI ALA 93 251.00 297.00 20 16.12 20.72 +*++++++++++++++++++ Angle PSI ALA 93 109.00 151.00 20 24.65 30.86 ++++++++*+++++++++++ Angle PHI VAL 94 245.00 279.00 20 20.42 30.98 +++++++++++++*++++++ Angle PSI VAL 94 119.00 147.00 15 8.66 19.01 + +++++ ++++* + +++ Angle PHI THR 95 219.00 273.00 11 5.92 12.58 +++ + ++ * +++ + Angle PSI THR 95 113.00 139.00 17 11.86 31.91 + +++++++ +++++++ *+ Angle PSI THR 96 116.00 146.00 18 15.28 32.06 +++++ *+++++ +++++++ Angle PHI MET 97 248.00 292.00 18 11.85 24.58 +++++ +++*+++++ ++++ Angle PSI MET 97 120.00 166.00 8 5.26 33.77 + + ++ + +*+ Angle PHI HIS+ 98 248.00 288.00 11 7.51 31.02 ++ + ++ + +*++ + Angle PSI HIS+ 98 121.00 149.00 20 17.13 28.61 ++++++*+++++++++++++ Angle PHI VAL 99 242.00 268.00 20 19.61 30.54 ++++++++++++++++++*+ Angle PSI VAL 99 121.00 143.00 20 20.93 40.19 ++++++++++++++++*+++ Angle PHI ILE 100 227.00 273.00 20 15.20 24.41 ++++++++++++*+++++++ Angle PSI ILE 100 113.00 143.00 20 12.92 23.60 ++++++++++++++++++*+ Angle PHI ILE 101 252.00 274.00 17 7.64 15.13 +++++ ++++ ++++++*+ Angle PSI ILE 101 107.00 131.00 19 19.08 32.05 +++++++++++++++*+ ++ Angle PHI GLN 102 231.00 287.00 17 11.13 24.80 +++++++ +++++++* ++ Angle PSI GLN 102 122.00 152.00 18 13.23 20.76 ++++++++++++++++* + 86 violated distance constraints. 59 violated angle constraints. RMSDs for residues 20..108: Average backbone RMSD to mean : 3.30 +/- 1.80 A (2.25..10.78 A) Average heavy atom RMSD to mean : 3.79 +/- 1.72 A (2.92..10.97 A)