Structural statistics: str target upper limits van der Waals torsion angles function # sum max # sum max # sum max 1 41.35 87 74.7 1.43 15 23.9 0.48 18 376.1 31.15 2 41.96 92 77.4 1.25 13 24.7 0.59 24 397.7 30.83 3 42.09 84 73.0 1.31 22 25.1 0.50 27 410.4 30.48 4 42.14 91 76.5 1.34 12 25.4 0.60 26 407.6 32.74 5 42.56 95 78.8 1.25 13 24.5 0.43 30 418.2 31.47 6 42.75 89 76.0 1.53 11 24.7 0.41 26 403.2 30.81 7 43.05 96 79.2 1.50 14 24.8 0.63 24 393.7 33.03 8 43.12 90 73.7 1.48 19 23.9 0.42 24 394.5 40.80 9 43.14 92 77.2 1.20 11 24.2 0.51 30 414.8 32.56 10 43.38 88 72.2 1.47 16 23.4 0.49 28 432.3 41.06 11 43.40 88 73.9 1.37 17 26.1 0.60 25 415.8 30.83 12 43.59 92 75.7 1.37 16 25.9 0.60 21 366.1 31.10 13 43.70 90 78.2 1.37 15 27.2 0.58 25 373.3 30.71 14 43.83 100 77.1 1.38 17 24.3 0.57 27 396.3 31.28 15 44.08 96 80.3 1.31 16 26.3 0.57 23 391.4 30.16 16 44.08 91 77.0 1.29 17 24.8 0.56 31 411.9 32.50 17 44.46 100 80.2 1.34 15 25.3 0.39 32 452.7 31.29 18 44.48 95 79.5 1.37 18 25.0 0.42 26 378.4 30.95 19 45.00 95 75.4 1.30 18 28.6 0.63 31 446.8 30.07 20 45.20 93 79.0 1.24 21 27.1 0.53 24 409.0 30.34 Ave 43.37 92 76.7 1.36 16 25.3 0.52 26 404.5 32.21 +/- 1.01 4 2.3 0.09 3 1.3 0.08 3 22.2 3.02 Min 41.35 84 72.2 1.20 11 23.4 0.39 18 366.1 30.07 Max 45.20 100 80.3 1.53 22 28.6 0.63 32 452.7 41.06 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 HA GLU- 25 - HN THR 26 2.99 20 0.64 0.65 ++++++*+++++++++++++ # peak 323 # SUP 4.84 Upper HA PRO 68 - HN VAL 70 4.22 19 0.53 1.00 +++++++++++*++++ +++ # peak 430 # SUP 1.08 Upper HN VAL 83 - HN SER 85 4.09 17 0.35 0.47 +*+++++ + ++++++++ + # peak 483 # SUP 2.60 Upper HN GLN 90 - HA ALA 91 3.76 20 0.49 0.63 ++++++++*+++++++++++ # peak 496 # SUP 3.27 Upper HN GLN 90 - HN ALA 91 3.05 10 0.20 0.39 ++ +++ + *+++ # peak 499 # SUP 5.44 Upper HN GLY 101 - HN LYS+ 102 3.52 9 0.20 0.64 ++ + + +*+ + + # peak 531 # SUP 2.76 Upper HN LYS+ 111 - HN LYS+ 112 4.03 8 0.29 0.56 + ++ * ++ ++ # peak 556 # SUP 4.87 Upper HN LEU 123 - HB2 LEU 123 3.00 7 0.14 0.48 ++ + + + +* # peak 597 # SUP 6.16 HB2 LYS+ 121 - HN LEU 123 # SUP 2.65 Upper HN LYS+ 121 - QD1 LEU 123 4.11 11 0.26 0.43 + ++ ++ +* ++ ++ # peak 612 # SUP 2.18 Upper HN GLN 116 - QD1 ILE 119 4.77 11 0.33 0.75 ++*+ + +++ ++ + # peak 626 # SUP 0.75 Upper HN LYS+ 111 - HB3 LYS+ 111 3.17 8 0.16 0.49 + ++ ++ ++ * # peak 672 # SUP 4.50 Upper HN LYS+ 111 - HG3 LYS+ 111 3.36 7 0.21 0.79 + ++ ++* + # peak 673 # SUP 5.99 Upper QD2 LEU 40 - HN PHE 97 4.22 13 0.36 0.67 ++ ++++++ + ++* + # peak 718 # SUP 1.07 HN PHE 97 - QG2 ILE 103 # SUP 1.35 Upper QD1 ILE 89 - HN MET 96 4.40 18 0.43 0.64 +++ ++++ ++++*++++++ # peak 726 # SUP 1.50 QG2 VAL 83 - HN MET 96 # SUP 0.52 Upper HN GLN 90 - HB3 GLN 90 3.53 6 0.17 0.32 +* ++++ # peak 758 # SUP 5.83 Upper QB ALA 64 - HN LEU 73 4.60 14 0.36 0.67 +++ +++ ++*+ + + ++ # peak 845 # SUP 1.79 Upper HG LEU 71 - HN PHE 72 4.15 11 0.28 0.37 + * +++ + + +++ + # peak 849 # SUP 4.23 QG2 THR 39 - HN PHE 72 # SUP 0.24 Upper HA VAL 70 - HN PHE 72 4.76 20 0.81 0.88 ++++++++++++++++++*+ # peak 851 # SUP 2.52 Upper HD22 ASN 69 - QG1 VAL 70 4.29 6 0.14 0.54 + +* + ++ # peak 863 # SUP 3.17 Upper HA LEU 67 - HN ASN 69 4.62 14 0.41 0.83 +++*++ ++++ + + ++ # peak 864 # SUP 2.61 Upper HN LEU 67 - HD2 PRO 68 4.55 14 0.34 0.44 ++ + ++ ++ ++*+ +++ # peak 872 # SUP 3.71 Upper HN LEU 67 - HD3 PRO 68 4.39 10 0.31 0.40 + +*+ ++ + ++ + # peak 873 # SUP 4.39 Upper HN LEU 67 - HG LEU 67 3.40 9 0.28 0.62 +* + ++ + + + + # peak 877 # SUP 4.82 Upper HG LEU 63 - HN ALA 64 4.58 6 0.27 0.54 + +* + + + # peak 896 # SUP 6.60 Upper HB3 PRO 58 - HN PHE 59 3.79 20 0.49 0.60 ++++++++*+++++++++++ # peak 925 # SUP 6.08 Upper HN ALA 57 - HB3 PRO 58 4.18 20 0.71 0.87 ++++++++++++++++*+++ # peak 929 # SUP 4.10 Upper QG1 VAL 43 - HN ASP- 44 4.21 11 0.27 0.32 +++++ + ++ +*+ # peak 1008 # SUP 4.23 Upper HN VAL 43 - HA MET 96 4.53 18 0.37 0.50 ++++++++++++*++++ + # peak 1011 # SUP 1.50 Upper QB ALA 34 - HN LEU 40 3.72 8 0.27 0.39 +*++ + + + + # peak 1038 # SUP 1.51 Upper HB3 GLN 30 - HN GLN 32 4.39 20 0.53 0.60 +++++++++++*++++++++ # peak 1092 # SUP 2.31 Upper HE1 TRP 27 - QG2 VAL 43 3.85 17 0.38 0.62 ++++*++++++ ++ + +++ # peak 1140 # SUP 0.91 Upper HN CYS 21 - QD2 LEU 73 4.40 20 0.68 0.96 +++++++++++++++*++++ # peak 1169 # SUP 0.99 Upper HN ILE 119 - HN HIS 122 4.07 19 0.52 0.73 ++++++++++++++*+ +++ # peak 1173 # SUP 1.32 Upper QG2 ILE 89 - HN ALA 91 3.57 11 0.31 0.52 +++ ++ + *+ + ++ # peak 1231 # SUP 1.60 Upper HN ASP- 78 - HB3 LEU 80 4.25 20 0.61 0.81 +++++++++++++++++*++ # peak 1243 # SUP 0.50 Upper HA PHE 59 - HN PHE 60 3.05 20 0.51 0.56 +++++++++++++++++*++ # peak 1282 # SUP 3.93 Upper HN THR 118 - HG12 ILE 119 3.54 13 0.34 0.49 ++ *++ ++++++ ++ # peak 1286 # SUP 4.20 HB2 ASP- 44 - HN PHE 60 # SUP 0.50 Upper HG3 LYS+ 33 - HN ALA 34 3.25 10 0.30 0.55 + ++ ++ +* + + + # peak 1294 # SUP 5.06 Upper HA THR 26 - HB THR 26 2.44 20 0.48 0.61 +++++*++++++++++++++ # peak 168 # SUP 2.81 Upper HA LEU 31 - QD1 LEU 31 3.31 15 0.38 0.53 ++ ++ ++++++ + +*+ + # peak 228 # SUP 4.72 Upper HA ARG+ 54 - HB2 ARG+ 54 2.63 6 0.17 0.43 *+ + + ++ # peak 539 # SUP 4.74 Upper HA ARG+ 54 - HG2 ARG+ 54 3.00 14 0.37 0.63 + ++ ++++ *++++++ # peak 540 # SUP 4.42 Upper HA LEU 73 - QD2 LEU 73 2.89 11 0.26 0.50 ++++ + + + + * + + # peak 831 # SUP 5.39 Upper HA LYS+ 74 - HG3 LYS+ 74 3.00 20 0.53 0.75 ++*+++++++++++++++++ # peak 855 # SUP 5.27 Upper HA LYS+ 74 - HD2 LYS+ 74 2.98 8 0.18 0.58 + + *+ + ++ + # peak 856 # SUP 5.27 Upper HB2 LYS+ 74 - HD2 LYS+ 74 2.40 12 0.33 0.61 + ++ * + ++++ +++ # peak 877 # SUP 4.97 Upper HB2 LYS+ 74 - QE LYS+ 74 3.13 7 0.14 0.46 * + ++ + ++ # peak 883 # SUP 4.31 Upper HA LYS+ 99 - HG3 LYS+ 99 3.21 16 0.39 0.61 +++++++ +++* ++ +++ # peak 1160 # SUP 6.44 Upper HA LYS+ 99 - QD LYS+ 99 3.21 6 0.29 0.88 + + + +* + # peak 1161 # SUP 5.82 Upper HB2 GLU- 100 - HG2 GLU- 100 2.66 15 0.35 0.39 + +++++++++++* ++ # peak 1201 # SUP 3.25 Upper HA ILE 103 - QD1 ILE 103 2.93 13 0.47 0.78 + + + +++ ++ + +++* # peak 1253 # SUP 5.44 Upper HB ILE 103 - QD1 ILE 103 2.67 7 0.18 0.54 + * ++ +++ # peak 1257 # SUP 4.90 Upper HA LEU 104 - QD2 LEU 104 2.79 12 0.26 0.55 + ++++*++ +++ + # peak 1271 # SUP 5.58 Upper HA LYS+ 111 - HD3 LYS+ 111 4.01 8 0.24 0.57 + ++ ++ ++ * # peak 1375 # SUP 6.28 Upper HA ILE 119 - HG13 ILE 119 3.24 10 0.22 0.55 * ++ ++ ++++ + # peak 1501 # SUP 6.31 Upper HA LEU 123 - QD1 LEU 123 2.80 6 0.17 0.57 ++ * + + + # peak 1580 # SUP 6.02 Upper HB3 LEU 123 - QD1 LEU 123 2.68 12 0.25 0.54 + ++ ++ ++ * ++ ++ # peak 1602 # SUP 5.71 Upper HA LYS+ 121 - HD3 LYS+ 121 3.24 8 0.22 0.63 ++ ++ + * + + # peak 1675 # SUP 6.65 Upper QE PHE 45 - QG2 VAL 75 3.75 8 0.28 0.44 ++ +++ + + * # peak 2241 # SUP 1.88 QD PHE 72 - QG2 VAL 75 # SUP 0.75 Upper HB VAL 42 - HA PHE 72 3.69 10 0.31 0.49 ++ + + +++ +*+ # peak 2269 # SUP 0.86 Upper HA GLN 17 - QB ALA 64 3.02 11 0.31 0.63 *+ + +++++ +++ # peak 2307 # SUP 1.22 Upper HA SER 82 - QB ALA 84 3.50 20 0.55 0.66 +++*++++++++++++++++ # peak 2407 # SUP 0.02 HA GLU- 25 - QB ALA 84 # SUP 0.02 Upper HA THR 26 - HN GLN 30 3.72 9 0.29 0.42 + + + ++ *+++ # peak 2411 # SUP 1.27 Upper HB3 TRP 27 - HN ASN 28 3.68 20 0.37 0.53 ++++++*+++++++++++++ # peak 2431 # SUP 5.40 Upper HA GLU- 29 - HN GLN 30 3.10 20 0.50 0.53 +++*++++++++++++++++ # peak 2441 # SUP 5.32 Upper HG3 GLN 30 - HE21 GLN 30 3.68 12 0.28 0.47 +++ + ++ + *++ ++ # peak 2452 # SUP 2.88 Upper HB3 LEU 31 - HN GLN 32 3.59 17 0.32 0.38 +*+++ +++++ +++++++ # peak 2464 # SUP 5.97 HB3 LEU 31 - HN ALA 34 # SUP 0.86 Upper HZ2 TRP 27 - QD2 LEU 31 3.24 10 0.31 0.44 +++ + ++* + + + # peak 2476 # SUP 3.12 Upper HE22 GLN 30 - QD2 LEU 31 3.73 6 0.18 0.45 + + + * + + # peak 2477 # SUP 2.92 Upper QG2 ILE 56 - QD1 ILE 56 2.70 6 0.17 0.57 + + * ++ + # peak 2492 # SUP 3.39 Upper HA PHE 55 - QG2 ILE 56 3.27 6 0.15 0.47 * ++ + + + # peak 2494 # SUP 3.65 QG2 ILE 56 - HA ALA 110 # SUP 0.75 Upper QB ALA 91 - HN MET 92 3.17 18 0.45 0.51 ++++++* + ++++++++++ # peak 2542 # SUP 3.44 Upper HA LEU 40 - QD1 LEU 40 3.68 6 0.12 0.41 ++ + * + + # peak 2544 # SUP 4.55 Upper QD2 LEU 40 - QG2 VAL 70 3.15 7 0.27 0.47 *+ + ++ ++ # peak 2558 # SUP 3.70 Upper HB3 TRP 49 - HD1 TRP 49 3.42 20 0.48 0.50 ++++*+++++++++++++++ # peak 2624 # SUP 3.83 Upper QB ALA 47 - QB CYS 50 3.50 10 0.30 0.70 + + *+ + +++ ++ # peak 2627 # SUP 3.64 Upper HB2 PRO 52 - QB PHE 55 3.92 6 0.19 0.51 + ++ * + + # peak 2631 # SUP 0.75 HB2 PRO 52 - HB3 CYS 53 # SUP 4.13 HB2 PRO 52 - HD2 ARG+ 54 # SUP 0.33 Upper HD2 PRO 52 - HN ARG+ 54 3.59 20 0.65 0.77 +++++++++*++++++++++ # peak 2644 # SUP 1.78 HD2 PRO 52 - HN PHE 55 # SUP 0.23 Upper HA ARG+ 54 - HG3 ARG+ 54 3.57 10 0.21 0.45 ++ ++++ ++ *+ # peak 2663 # SUP 4.55 Upper HB3 ARG+ 54 - QB ALA 57 3.01 17 0.40 0.65 ++++ ++*+ +++++++++ # peak 2674 # SUP 0.75 Upper QD1 ILE 56 - HA ALA 110 3.01 8 0.24 0.68 + ++ + +* ++ # peak 2691 # SUP 2.69 HA PHE 55 - QD1 ILE 56 # SUP 2.97 Upper QB PHE 55 - QG1 ILE 56 3.98 18 0.67 1.16 +++++ ++++++++++ +*+ # peak 2698 # SUP 0.02 HB3 CYS 53 - QG1 ILE 56 # SUP 0.02 HD2 ARG+ 54 - QG1 ILE 56 # SUP 0.02 QG1 ILE 56 - HD3 PRO 93 # SUP 0.02 Upper HN ASP- 62 - HB2 LEU 63 4.12 19 0.40 0.51 ++++++ ++*++++++++++ # peak 2771 # SUP 4.55 Upper HB2 LEU 67 - QD1 LEU 67 2.84 10 0.24 0.38 ++ + *+ +++ + + # peak 2812 # SUP 2.99 Upper HA LEU 67 - QD2 LEU 67 2.88 8 0.25 1.23 + + + + +*+ + # peak 2813 # SUP 2.91 Upper QD1 LEU 67 - HG2 PRO 68 3.11 16 0.43 0.61 ++ +++++ ++ ++*+ +++ # peak 2815 # SUP 1.57 Upper HG LEU 40 - QG2 VAL 70 3.18 14 0.26 0.46 ++++ + + *++ +++++ # peak 2860 # SUP 3.34 Upper QG1 VAL 70 - QD PHE 72 3.73 6 0.20 0.42 * + ++ + + # peak 2864 # SUP 1.15 QG1 VAL 70 - HZ PHE 72 # SUP 2.15 Upper HB2 PHE 72 - QD2 LEU 73 3.60 15 0.45 0.63 * + ++ ++++++++ +++ # peak 2878 # SUP 4.96 Upper HB2 GLU- 79 - HN LEU 80 3.33 11 0.33 0.47 +++*+ ++ + + + + # peak 2910 # SUP 4.72 Upper HE3 TRP 27 - QD2 LEU 80 3.48 9 0.27 0.43 * +++ + + + + + # peak 2917 # SUP 3.96 Upper HB2 ASP- 86 - HE3 TRP 87 3.36 18 0.37 0.45 +++++++ +++++++++ +* # peak 2946 # SUP 3.30 Upper HA ILE 89 - QD1 ILE 89 3.10 18 0.40 0.51 +++++++ + ++++++++*+ # peak 2957 # SUP 5.98 Upper HD1 TRP 87 - QG2 ILE 89 3.51 14 0.33 0.41 + +++++ ++ + + ++*+ # peak 2965 # SUP 0.75 Upper QD1 ILE 89 - HB2 MET 96 3.83 8 0.30 0.51 +++*++ ++ # peak 3054 # SUP 1.50 QG2 VAL 83 - HB2 MET 96 # SUP 0.02 Upper HG2 MET 96 - HN PHE 97 3.97 14 0.32 0.43 +++++++ + ++*+++ # peak 3056 # SUP 4.94 Upper QG2 THR 94 - HG2 MET 96 3.75 18 0.42 0.65 +++++++ +*+++ ++++++ # peak 3058 # SUP 1.32 Upper HA LEU 98 - HN ASP- 105 3.85 11 0.30 0.47 +++*+ + ++ + ++ # peak 3077 # SUP 3.56 Upper HA GLU- 100 - HN GLY 101 3.23 8 0.23 0.42 + + + ++ ++* # peak 3098 # SUP 3.59 Upper HG12 ILE 103 - HA LEU 104 3.73 13 0.36 0.73 ++ *++++ + ++++ + # peak 3119 # SUP 4.54 Upper HN ILE 103 - QD1 ILE 103 3.75 13 0.30 0.64 ++ ++*+++ + +++ + # peak 3128 # SUP 6.05 Upper HA ILE 103 - HG13 ILE 103 3.57 7 0.21 0.61 + * ++ +++ # peak 3129 # SUP 5.40 Upper HN ILE 103 - HG13 ILE 103 3.89 17 0.50 0.74 +++++++++ ++*+++ ++ # peak 3130 # SUP 6.14 Upper HN LEU 104 - HG LEU 104 3.37 8 0.22 0.41 + + + +++ + * # peak 3137 # SUP 7.08 Upper HN LEU 104 - QD1 LEU 104 3.84 11 0.30 0.57 + ++++* ++ +++ # peak 3140 # SUP 6.52 Upper QG2 VAL 107 - QB GLU- 114 2.90 9 0.23 0.53 ++ + + + ++*+ # peak 3180 # SUP 1.50 Upper HB3 ASP- 62 - HD3 LYS+ 112 3.86 7 0.27 0.56 ++ + ++ * + # peak 3223 # SUP 0.75 Upper QD1 ILE 56 - QE LYS+ 112 3.64 9 0.26 0.55 ++ +* + + + ++ # peak 3225 # SUP 0.91 Upper HN GLU- 114 - QG GLU- 114 3.40 7 0.19 0.34 +*+ + + + + # peak 3237 # SUP 3.61 QG GLU- 114 - HN GLN 116 # SUP 2.83 Upper HA GLN 116 - QD1 ILE 119 3.24 7 0.25 0.55 + + ++ + * + # peak 3260 # SUP 2.96 Upper QG2 ILE 119 - HB2 HIS 122 3.46 9 0.25 0.37 ++ + *+ + ++ + # peak 3340 # SUP 0.75 Upper HN GLN 116 - HG3 GLN 116 3.73 6 0.26 0.56 + * + + ++ # peak 3387 # SUP 6.31 Upper HN GLU- 25 - HD1 TRP 27 4.49 20 0.69 0.90 +++++*++++++++++++++ # peak 48 # SUP 2.31 Upper HH2 TRP 49 - HB3 PRO 52 4.29 11 0.23 0.41 + + ++++ *++++ # peak 121 # SUP 0.75 Upper QD PHE 59 - HA ILE 119 4.37 20 1.33 1.53 +++++*++++++++++++++ # peak 150 # SUP 1.50 QD PHE 59 - HA THR 118 # SUP 0.70 Upper QD PHE 72 - HB VAL 75 4.50 20 1.20 1.38 +++++++++++++*++++++ # peak 186 # SUP 0.75 Upper HB2 LEU 67 - HZ PHE 72 4.25 7 0.24 0.46 + ++ ++ *+ # peak 202 # SUP 1.89 Upper HA TRP 87 - HD1 TRP 87 4.47 20 0.35 0.37 +++++++++*++++++++++ # peak 222 # SUP 3.35 Upper HB2 ASP- 86 - HD1 TRP 87 3.81 14 0.32 0.37 + + ++ + ++++++ +*+ # peak 225 # SUP 2.88 Upper HD2 HIS 122 - QD1 LEU 123 4.48 6 0.26 0.62 + + ++ + * # peak 257 # SUP 3.88 HD2 HIS 122 - QD2 LEU 123 # SUP 3.62 HB3 LEU 104 - HD2 HIS 122 # SUP 0.11 Angle PSI ILE 19 114.00 146.00 9 5.04 13.56 +*+ + + + + + + Angle PSI ALA 20 109.00 143.00 16 6.22 9.65 + ++*++++ + +++++++ Angle PHI LEU 31 285.00 305.00 7 4.68 10.11 * +++ ++ + Angle PSI THR 39 117.00 143.00 6 4.18 6.57 + ++ * + + Angle PSI VAL 43 116.00 160.00 20 8.93 13.81 +++++++++++++++++++* Angle PHI THR 46 205.00 237.00 6 4.45 8.65 + * +++ + Angle PSI ALA 47 109.00 151.00 13 5.24 8.81 ++*+ +++ ++ +++ + Angle PHI SER 48 289.00 309.00 7 4.18 9.20 ++ + + + +* Angle PSI SER 48 322.00 342.00 8 4.19 6.50 * + + + ++ + + Angle PHI PHE 59 280.00 300.00 19 10.29 16.21 ++++*++++++++++++++ Angle PHI ALA 64 286.00 306.00 6 3.15 10.67 + ++ *++ Angle PHI LYS+ 65 281.00 301.00 10 5.43 10.67 +++ ++ + * ++ + Angle PSI LYS+ 66 320.00 354.00 7 3.54 8.24 + + * +++ + Angle PHI VAL 70 230.00 274.00 6 3.40 9.35 + +*+ ++ Angle PHI LEU 71 230.00 270.00 15 6.54 15.00 + ++++ +* +++ +++++ Angle PSI LEU 71 116.00 136.00 20 9.88 12.54 ++++++++*+++++++++++ Angle PSI PHE 72 123.00 143.00 14 7.99 16.03 ++++ ++ ++ ++ *++ + Angle PSI LEU 73 132.00 166.00 20 10.86 14.31 ++++++*+++++++++++++ Angle PHI LYS+ 74 213.00 255.00 20 18.65 22.60 +*++++++++++++++++++ Angle PSI LYS+ 74 116.00 140.00 20 9.55 12.78 ++++++++*+++++++++++ Angle PSI VAL 75 118.00 138.00 18 9.78 13.52 ++++++++++ +++++* ++ Angle PHI ASP- 76 248.00 290.00 20 10.82 14.91 +++++++++++*++++++++ Angle PSI THR 77 321.00 349.00 7 4.21 7.89 + *+ +++ + Angle PHI ASP- 78 280.00 304.00 6 3.02 6.79 + + + +* + Angle PHI LYS+ 81 292.00 312.00 11 5.24 14.01 + ++ + + + +++*+ Angle PHI ALA 91 230.00 276.00 20 10.54 11.84 +++++++++++*++++++++ Angle PSI ALA 91 120.00 154.00 20 31.63 36.34 +++++++++*++++++++++ Angle PHI MET 92 226.00 270.00 20 29.48 41.06 +++++++++*++++++++++ Angle PSI PRO 93 128.00 154.00 18 13.04 16.52 ++++*++ + ++++++++++ Angle PHI THR 94 210.00 250.00 16 6.76 9.42 ++++++ + + ++++*+++ Angle PSI PHE 95 122.00 144.00 16 6.36 8.55 +++ ++++++++++ +*+ Angle PSI LYS+ 99 118.00 144.00 6 3.88 8.65 + + +* ++ Angle PSI ASP- 105 136.00 156.00 7 4.66 8.36 + + * ++ + + Angle PSI LEU 115 307.00 327.00 6 4.23 9.59 * + ++ + + Angle PSI ILE 119 310.00 330.00 8 4.14 7.07 + * + + +++ + 120 violated distance constraints. 35 violated angle constraints. RMSDs for residues 16..123: Average backbone RMSD to mean : 0.62 +/- 0.10 A (0.46..0.80 A) Average heavy atom RMSD to mean : 1.04 +/- 0.11 A (0.83..1.32 A)