Structural statistics: str target upper limits van der Waals torsion angles function # sum max # sum max # sum max 1 109.73 52 80.7 1.42 90 61.7 0.81 47 901.8 47.35 2 111.97 46 81.0 1.61 74 55.4 0.60 62 1039.2 42.45 3 112.68 47 79.7 2.40 106 62.7 0.76 47 788.3 40.92 4 112.75 56 85.3 1.96 90 62.1 0.63 53 779.3 37.24 5 116.43 57 82.8 1.81 104 68.1 0.76 51 805.0 32.75 6 116.65 52 83.3 2.14 92 66.5 0.63 49 747.1 38.16 7 116.88 57 89.5 1.75 103 66.6 0.81 45 700.6 34.47 8 122.18 59 84.8 2.55 102 70.4 0.61 59 856.6 37.09 9 122.73 53 85.0 2.98 82 54.3 0.91 50 829.7 39.97 10 124.71 47 86.1 2.49 84 59.7 0.64 50 864.0 44.61 11 126.78 60 86.5 1.77 115 74.9 0.65 60 966.4 37.26 12 127.97 69 91.6 1.60 100 66.4 0.72 55 895.7 42.52 13 128.45 55 86.7 2.62 106 71.1 0.54 58 906.3 44.19 14 129.03 54 90.0 1.84 125 72.6 0.62 60 868.1 40.35 15 132.20 59 89.4 1.95 105 70.1 0.64 56 843.4 42.23 16 132.37 50 82.3 2.11 106 68.7 0.79 54 972.6 73.39 17 132.96 48 87.6 1.97 116 74.3 0.90 44 842.2 43.67 18 133.02 66 96.8 2.06 104 69.7 0.65 44 761.4 43.84 19 133.26 62 91.9 1.72 137 83.7 0.70 47 726.4 41.89 20 134.53 57 87.1 2.09 105 67.3 0.91 54 960.7 39.04 Ave 123.86 55 86.4 2.04 102 67.3 0.71 52 852.7 42.17 +/- 8.17 6 4.2 0.39 14 6.7 0.11 6 87.3 7.98 Min 109.73 46 79.7 1.42 74 54.3 0.54 44 700.6 32.75 Max 134.53 69 96.8 2.98 137 83.7 0.91 62 1039.2 73.39 Constraints violated in 6 or more structures: Cutoffs: Upper distance limits : 0.60 A Lower distance limits : 0.20 A Angle constraints : 5.00 deg # mean max. 1 5 10 15 20 Upper HB2 SER 49 - HB3 SER 77 3.33 12 0.73 2.62 + +++++ +++*+ + # peak 33 # SUP 2.75 Upper QG1 VAL 47 - HA VAL 73 4.16 10 0.70 1.43 + + +*+++++ + # peak 112 # SUP 0.62 QG2 VAL 62 - HA GLU- 64 # SUP 0.65 QG2 VAL 62 - HA VAL 73 # SUP 0.02 QG1 VAL 47 - HA GLU- 64 # SUP 0.02 Upper HN SER 85 - QG2 VAL 94 5.21 9 0.51 1.45 + * +++ + ++ + # peak 160 # SUP 1.01 HN LYS+ 20 - QG2 VAL 94 # SUP 0.12 Upper HZ PHE 21 - QD1 LEU 43 4.99 8 0.41 1.18 ++ + + *+ ++ # peak 169 # SUP 1.85 QD PHE 21 - QD1 LEU 43 # SUP 3.01 Upper QD1 LEU 43 - HB2 LEU 67 4.47 9 0.56 1.58 ++ + *++ + + + # peak 214 # SUP 4.76 Upper HA PRO 59 - HG12 ILE 101 5.20 8 0.55 1.52 ++ ++ ++ + * # peak 573 # SUP 0.91 HA PRO 59 - HB ILE 100 # SUP 0.43 HA PRO 59 - HB2 LEU 67 # SUP 0.02 HA PRO 59 - HG3 LYS+ 78 # SUP 0.02 HG LEU 23 - HA PRO 59 # SUP 0.02 Upper HA ARG+ 53 - HB3 GLU- 54 4.19 7 0.53 1.16 + ++ + + *+ # peak 938 # SUP 2.51 HA ARG+ 53 - HB3 GLU- 56 # SUP 0.65 HA ARG+ 53 - HB3 GLN 102 # SUP 0.08 Upper HA LEU 43 - HB ILE 68 5.32 6 0.40 1.52 + + + + + * # peak 941 # SUP 2.81 Upper QD1 ILE 68 - HA VAL 73 5.37 7 0.30 0.91 ++ * ++ ++ # peak 1112 # SUP 2.55 Upper QD1 ILE 19 - HB3 MET 97 3.76 9 0.58 2.09 ++ + ++* + + + # peak 1114 # SUP 3.97 QD1 ILE 19 - HD3 LYS+ 55 # SUP 0.33 Upper QD1 ILE 48 - HB3 SER 77 4.41 6 0.34 1.29 + + * + ++ # peak 1145 # SUP 2.71 Upper QD1 ILE 48 - HB3 LEU 67 3.92 7 0.58 1.95 + +++ + + * # peak 1153 # SUP 3.19 Upper HA ALA 91 - HA ALA 93 5.50 17 1.03 1.35 +++++++++ ++ + ++++* # peak 1246 # SUP 1.12 Upper HB3 SER 49 - QD1 ILE 101 5.03 7 0.46 1.28 + + + * ++ + # peak 1268 # SUP 1.14 HA GLU- 18 - QD1 ILE 101 # SUP 1.06 HA SER 49 - QD1 ILE 101 # SUP 1.06 HA GLU- 54 - QD1 ILE 101 # SUP 0.27 HA VAL 73 - QD1 ILE 101 # SUP 0.02 Upper HB3 LEU 67 - HB ILE 68 4.72 9 0.51 1.26 + *+++ ++ + + # peak 1365 # SUP 4.44 Upper HA1 GLY 30 - HA ILE 68 5.34 8 0.50 1.74 + ++ ++ * ++ # peak 1455 # SUP 2.20 Upper HB ILE 19 - HB2 HIS+ 98 3.80 6 0.31 1.10 ++ *+ + + # peak 1488 # SUP 1.73 HB ILE 19 - HG3 MET 97 # SUP 1.24 Upper HE3 LYS+ 20 - QD1 ILE 68 5.17 6 0.37 1.35 +*+ + ++ # peak 1708 # SUP 1.66 HE3 LYS+ 20 - QG2 ILE 101 # SUP 0.28 Upper HG2 GLU- 18 - HA MET 97 5.20 6 0.37 1.09 *+ + + + + # peak 1818 # SUP 0.61 Upper HB3 LEU 43 - HG3 GLU- 45 3.79 6 0.40 1.66 +* ++ + + # peak 1838 # SUP 1.01 HB3 LEU 43 - HG2 GLU- 45 # SUP 1.35 HG3 GLU- 45 - HB3 GLU- 75 # SUP 0.25 HG3 GLU- 45 - HG3 GLU- 56 # SUP 0.02 HG2 GLU- 45 - HB3 GLU- 75 # SUP 0.30 HG3 GLU- 45 - HB3 LYS+ 78 # SUP 0.18 HG2 GLU- 45 - HG3 GLU- 56 # SUP 0.02 HG3 GLU- 45 - HB VAL 47 # SUP 0.02 Upper HB3 PRO 31 - HA ILE 68 5.17 6 0.45 2.09 + + + ++ * # peak 1893 # SUP 1.74 Upper HN LYS+ 60 - HB2 LYS+ 66 5.11 7 0.46 1.25 + +++ ++ * # peak 1911 # SUP 1.50 HN LYS+ 32 - HB2 LYS+ 66 # SUP 0.02 Upper HB3 MET 97 - HA VAL 99 5.41 9 0.61 1.47 ++ + +++ * + + # peak 1912 # SUP 2.07 HB3 MET 97 - HA ILE 100 # SUP 0.95 Upper HB2 LYS+ 44 - HB2 LEU 67 4.66 6 0.41 1.26 +*++ ++ # peak 1992 # SUP 1.56 Upper HB3 LYS+ 55 - HB3 LYS+ 63 3.60 17 1.09 1.95 ++++ ++++ +++ *+++++ # peak 2054 # SUP 1.00 HB3 ARG+ 53 - HB3 LYS+ 55 # SUP 0.99 HG2 PRO 31 - HB3 LYS+ 55 # SUP 0.02 Upper HB3 LYS+ 55 - HG3 LYS+ 60 4.55 8 0.43 1.49 + + + +++ +* # peak 2055 # SUP 1.70 HB3 LYS+ 55 - HD3 LYS+ 60 # SUP 0.47 QG2 THR 24 - HB3 LYS+ 55 # SUP 0.02 HG13 ILE 29 - HB3 LYS+ 55 # SUP 0.02 Upper HB3 GLU- 107 - HB2 LYS+ 108 2.40 20 0.75 1.01 +++++++++++++*++++++ # peak 2222 # SUP 2.08 Upper HB2 GLU- 45 - HB2 GLU- 50 4.15 9 0.54 1.71 + + + * + +++ + # peak 2325 # SUP 3.11 HB3 GLU- 45 - HB2 GLU- 50 # SUP 3.57 HB2 GLU- 50 - HG3 ARG+ 53 # SUP 0.48 Upper HG13 ILE 19 - HA ILE 68 5.46 7 0.51 2.49 + ++ +* + + # peak 2485 # SUP 1.62 Upper HB2 LEU 67 - QD2 LEU 74 3.80 6 0.43 1.09 *+ + + ++ # peak 2676 # SUP 4.49 QD2 LEU 74 - HG3 ARG+ 84 # SUP 2.80 QD2 LEU 74 - HG12 ILE 101 # SUP 0.54 Upper HG2 LYS+ 32 - HB THR 46 5.19 16 0.99 2.14 + ++ +++*++++++++ + # peak 2714 # SUP 0.51 HA ASN 76 - HG2 LYS+ 81 # SUP 0.98 HA SER 77 - HG2 LYS+ 81 # SUP 0.16 Upper QD1 ILE 48 - HA VAL 62 4.79 7 0.44 1.40 + + ++*+ + # peak 2813 # SUP 2.56 HG12 ILE 48 - HA VAL 62 # SUP 1.01 Upper HA LYS+ 60 - HB THR 61 3.49 19 0.99 1.47 ++++++++++ ++++*++++ # peak 3343 # SUP 2.92 Upper QD1 LEU 23 - HB VAL 99 4.88 6 0.35 1.00 * ++ ++ + # peak 3374 # SUP 1.98 QD1 LEU 23 - HG2 GLN 102 # SUP 0.53 Upper HA1 GLY 30 - HG3 LYS+ 32 5.50 8 0.42 1.24 + + + +*++ + # peak 3456 # SUP 0.95 HD3 PRO 31 - HG3 LYS+ 32 # SUP 3.32 Upper HA1 GLY 30 - HG2 LYS+ 32 5.50 6 0.33 1.17 * + + + + + # peak 3457 # SUP 0.95 HD3 PRO 31 - HG2 LYS+ 32 # SUP 3.35 Upper HB3 LYS+ 20 - HG3 PRO 31 5.50 6 0.35 1.24 *+ + + + + # peak 3637 # SUP 2.16 HB2 LYS+ 20 - HG3 PRO 31 # SUP 2.75 HB2 LYS+ 20 - HB ILE 29 # SUP 2.55 HB3 LYS+ 20 - HB ILE 29 # SUP 2.26 Upper HB3 LEU 43 - HG3 GLU- 45 3.83 6 0.44 1.68 +* ++ + + # peak 3647 # SUP 1.01 HB3 LEU 43 - HG2 GLU- 45 # SUP 1.35 HG3 GLU- 45 - HG3 GLU- 56 # SUP 0.02 HG3 GLU- 45 - HB3 GLU- 75 # SUP 0.25 HG2 GLU- 45 - HB3 GLU- 75 # SUP 0.30 HG2 GLU- 45 - HG3 GLU- 56 # SUP 0.02 HG3 GLU- 45 - HB3 LYS+ 78 # SUP 0.18 Upper QD1 ILE 19 - HB3 PHE 34 5.50 8 0.38 0.88 + +++ + +*+ # peak 3792 # SUP 2.00 QD1 ILE 19 - HD3 PRO 35 # SUP 0.93 HB3 PHE 34 - QD1 ILE 68 # SUP 0.19 Upper HB2 LEU 67 - QD1 ILE 68 3.96 6 0.31 1.00 + * + + ++ # peak 3797 # SUP 4.71 QD1 ILE 68 - HB3 MET 97 # SUP 1.76 QD1 ILE 68 - HB ILE 100 # SUP 0.13 HD3 LYS+ 32 - QD1 ILE 68 # SUP 0.19 Upper QG2 ILE 29 - HN ILE 48 5.50 8 0.47 1.32 ++ ++ * + + + # peak 3815 # SUP 1.11 HG12 ILE 29 - HN ILE 48 # SUP 0.70 Upper HB2 PHE 34 - QD1 LEU 43 5.50 8 0.46 1.17 + ++ ++ ++ * # peak 3831 # SUP 1.60 HE2 LYS+ 20 - QD1 LEU 43 # SUP 0.57 Upper QB ALA 91 - QG2 VAL 94 4.33 6 0.31 1.35 *+ ++++ # peak 3853 # SUP 2.47 HB2 LEU 17 - QG2 VAL 94 # SUP 1.65 HG13 ILE 19 - QG2 VAL 94 # SUP 0.74 Upper QD1 ILE 19 - QD PHE 34 4.56 6 0.38 1.17 * + + + ++ # peak 291 # SUP 4.50 HG12 ILE 19 - QD PHE 34 # SUP 2.79 QD PHE 34 - QG2 VAL 94 # SUP 0.24 Upper HN LEU 23 - HB3 GLU- 50 5.19 12 0.76 1.62 ++++++ + + *+ ++ # peak 21 # SUP 0.97 HN LEU 23 - HB ILE 48 # SUP 0.08 Upper HN LYS+ 66 - HB2 LEU 67 4.41 10 0.60 1.50 + +++++ +*++ # peak 25 # SUP 1.67 Upper HA PRO 59 - HN GLN 102 4.72 6 0.44 1.43 ++ ++ + * # peak 45 # SUP 1.21 HA GLU- 18 - HN GLN 102 # SUP 1.65 HB3 SER 49 - HN GLN 102 # SUP 1.61 HA SER 49 - HN GLN 102 # SUP 1.53 HN GLN 102 - HA LYS+ 108 # SUP 0.56 HA GLU- 54 - HN GLN 102 # SUP 0.64 Upper HB3 GLU- 75 - HN ILE 101 4.18 13 0.84 1.67 + *+++ ++++++ + + # peak 51 # SUP 1.82 HG3 ARG+ 53 - HN ILE 101 # SUP 0.99 Upper HN MET 97 - HA HIS+ 98 4.18 13 0.74 1.34 ++ + ++* ++++ +++ # peak 71 # SUP 1.57 Upper HN LYS+ 20 - HN MET 97 4.84 6 0.32 1.61 + +* + ++ # peak 73 # SUP 2.41 Upper HN LYS+ 20 - HA MET 97 3.85 12 0.64 1.37 + +*+ + +++ ++++ # peak 128 # SUP 1.27 Upper HN ARG+ 22 - QG2 ILE 101 4.51 9 0.53 1.39 ++ ++ * + + + + # peak 136 # SUP 0.95 HN ARG+ 22 - QD1 ILE 68 # SUP 0.02 HN ARG+ 22 - QG2 ILE 48 # SUP 0.02 Upper HN TRP 51 - HD2 PRO 52 3.70 15 0.91 1.33 ++++ + + +++++ ++*+ # peak 170 # SUP 3.63 Upper HN THR 96 - HB3 MET 97 5.14 15 0.90 2.10 +++ ++++++*++ ++ + # peak 191 # SUP 3.00 Upper HN GLU- 56 - HG3 GLU- 64 4.45 6 0.45 1.62 + + + + * + # peak 228 # SUP 0.84 HG3 GLU- 50 - HN GLU- 56 # SUP 0.09 Upper HA LEU 90 - HN ALA 93 3.97 14 0.66 1.25 ++ +++ ++++ +* ++ + # peak 291 # SUP 2.02 Upper HD3 LYS+ 20 - HN ILE 68 4.68 7 0.45 1.63 + + ++ * + + # peak 458 # SUP 1.38 HG13 ILE 19 - HN ILE 68 # SUP 2.54 HB2 LYS+ 20 - HN ILE 68 # SUP 0.46 HB3 LYS+ 20 - HN ILE 68 # SUP 0.77 QB ALA 42 - HN ILE 68 # SUP 0.16 QG2 THR 38 - HN ILE 68 # SUP 0.12 QG2 THR 39 - HN ILE 68 # SUP 0.02 Upper QB ALA 91 - HN VAL 94 4.13 19 1.20 1.97 + +++++*++++++++++++ # peak 506 # SUP 2.62 HG13 ILE 19 - HN VAL 94 # SUP 0.36 Upper HA ALA 91 - HN VAL 94 3.20 13 0.88 1.84 ++ + ++++*+ ++++ # peak 507 # SUP 3.87 HA LEU 90 - HN VAL 94 # SUP 3.04 HA ARG+ 84 - HN VAL 94 # SUP 0.46 HA SER 85 - HN VAL 94 # SUP 0.35 Upper HB3 MET 97 - HN VAL 99 4.78 7 0.43 1.70 + ++ + + * + # peak 540 # SUP 4.54 HB3 ARG+ 22 - HN VAL 99 # SUP 1.23 Upper QD1 LEU 23 - HN VAL 99 5.17 8 0.53 1.52 +* +++ + + + # peak 541 # SUP 2.32 HN VAL 99 - QD1 ILE 101 # SUP 0.32 Upper HG LEU 67 - HN SER 69 4.06 6 0.39 0.90 + * + + + + # peak 666 # SUP 1.16 HG12 ILE 19 - HN SER 69 # SUP 0.49 QD1 ILE 19 - HN SER 69 # SUP 0.02 HN SER 69 - QG2 VAL 94 # SUP 0.02 Upper HB3 LYS+ 60 - HN LYS+ 63 4.49 7 0.56 1.97 + ++++ * + # peak 681 # SUP 0.47 HG3 LYS+ 55 - HN LYS+ 63 # SUP 0.60 HD3 LYS+ 44 - HN LYS+ 63 # SUP 0.02 Upper HN THR 46 - HB2 GLU- 50 4.53 8 0.44 1.34 +++ * + + ++ # peak 714 # SUP 1.27 Upper HN THR 46 - HB3 SER 77 4.99 8 0.56 2.40 *+ + + + ++ + # peak 716 # SUP 1.53 Upper QG2 ILE 48 - HN VAL 65 3.85 11 0.89 2.98 ++++ *+ +++ + + # peak 742 # SUP 0.83 HG2 PRO 59 - HN VAL 65 # SUP 0.58 Upper HA PRO 59 - HN VAL 65 4.30 6 0.55 2.55 + + * + + + # peak 746 # SUP 0.94 HA GLU- 56 - HN VAL 65 # SUP 0.62 HA SER 49 - HN VAL 65 # SUP 0.23 HB3 SER 49 - HN VAL 65 # SUP 0.22 Upper QG2 ILE 29 - HN GLU- 45 4.07 9 0.75 2.06 + ++ ++ + +* + # peak 750 # SUP 1.12 HN GLU- 45 - QG2 VAL 62 # SUP 1.45 HN GLU- 45 - HG3 LYS+ 63 # SUP 1.34 HG12 ILE 29 - HN GLU- 45 # SUP 0.66 HN GLU- 45 - QG2 VAL 73 # SUP 0.41 HN GLU- 45 - HG12 ILE 68 # SUP 0.24 Upper HG3 LYS+ 78 - HN ASP- 82 4.13 7 0.50 0.93 ++ + * + ++ # peak 907 # SUP 2.96 HN ASP- 82 - HG3 ARG+ 84 # SUP 1.40 Upper HN GLY 30 - HN LYS+ 32 5.50 9 0.63 2.11 ++ + ++ + * ++ # peak 919 # SUP 0.94 Upper QD1 ILE 48 - HN THR 61 4.70 8 0.49 1.77 + ++ ++ * ++ # peak 1044 # SUP 2.36 HG13 ILE 48 - HN THR 61 # SUP 1.02 HG12 ILE 48 - HN THR 61 # SUP 1.36 Upper HN GLY 71 - QG2 VAL 94 4.11 6 0.30 1.13 * + + + ++ # peak 1074 # SUP 1.80 QD1 ILE 19 - HN GLY 71 # SUP 0.37 HG12 ILE 19 - HN GLY 71 # SUP 0.29 Upper HN THR 24 - HB3 GLU- 50 4.31 8 0.46 1.38 + + ++ *++ + # peak 1093 # SUP 0.98 HN THR 24 - HB ILE 48 # SUP 0.02 Upper HN ARG+ 53 - HB3 GLU- 54 3.91 9 0.64 1.40 * ++ ++ +++ + # peak 1099 # SUP 2.61 HN ARG+ 53 - HB3 GLU- 56 # SUP 0.24 Upper HN ARG+ 53 - HA LYS+ 55 5.14 14 0.70 1.40 *++++++ +++ +++ + # peak 1101 # SUP 0.63 Upper HN PHE 21 - HB ILE 29 4.88 8 0.71 2.14 ++*+ + + ++ # peak 1144 # SUP 4.17 Upper HN LYS+ 20 - HA2 GLY 30 4.60 6 0.38 1.52 + + *+ + + # peak 1163 # SUP 1.45 Upper HN ARG+ 22 - HN ILE 101 5.01 8 0.66 1.72 + ++ + +++* # peak 1165 # SUP 1.44 HN ARG+ 22 - HN THR 95 # SUP 0.02 Angle PSI LEU 17 116.00 146.00 8 4.65 15.61 ++ *+++ + + Angle PHI ILE 19 239.00 273.00 12 6.83 24.25 ++ ++ ++ + ++ + +* Angle PSI ILE 19 124.00 144.00 13 8.67 25.91 ++++*++ ++ + + + + Angle PHI LYS+ 20 204.00 242.00 6 4.30 19.95 ++ * ++ + Angle PHI PHE 21 237.00 261.00 11 5.92 25.70 ++ + +++ *++ + + Angle PSI PHE 21 106.00 132.00 13 8.44 40.92 *+ ++++++ +++++ Angle PHI ARG+ 22 225.00 267.00 9 9.46 35.97 +++ + + + + *+ Angle PSI ARG+ 22 107.00 141.00 7 6.53 23.78 + ++ * + ++ Angle PHI THR 24 276.00 298.00 9 5.71 18.08 + + + ++ +++* Angle PSI THR 24 313.00 345.00 12 6.11 14.18 + *+ + + + ++++++ Angle PHI ASP- 25 248.00 276.00 11 5.35 13.42 * ++ + +++++ ++ Angle PSI ASP- 25 359.00 25.00 9 5.29 14.19 + + + +++ + *+ Angle PHI ASP- 28 210.00 256.00 9 6.26 24.79 ++ + + +* + ++ Angle PSI ASP- 28 127.00 157.00 7 4.09 17.91 ++ + + * ++ Angle PHI ILE 29 214.00 268.00 8 6.58 35.33 * + + + ++++ Angle PSI ILE 29 109.00 149.00 7 4.09 15.28 + + ++ *+ + Angle PSI PRO 31 128.00 150.00 10 9.11 39.16 ++ + +*+ ++++ Angle PHI LYS+ 32 205.00 253.00 12 9.56 34.47 ++ + +*+ +++ ++ + Angle PSI LYS+ 32 137.00 157.00 14 13.33 28.72 +++ +*++++++ + + + Angle PHI ALA 33 246.00 278.00 15 16.87 33.88 ++++ ++++ * +++ ++ + Angle PSI ALA 33 120.00 148.00 17 17.32 42.23 + ++++++++++ +* ++++ Angle PHI PHE 34 222.00 260.00 8 6.26 30.48 ++ + + *+ ++ Angle PSI PHE 34 116.00 164.00 6 2.73 10.42 + ++ + * + Angle PSI VAL 40 319.00 339.00 9 5.42 28.90 +++ + + * ++ + Angle PSI SER 41 309.00 329.00 11 5.96 16.49 ++ + + * ++++++ Angle PHI ALA 42 282.00 302.00 7 4.68 21.26 ++ + * ++ + Angle PSI ALA 42 314.00 334.00 12 6.63 19.65 ++ + ++ + + *+ + ++ Angle PHI LEU 43 283.00 303.00 6 4.10 15.72 + + + *++ Angle PSI LEU 43 314.00 338.00 12 10.46 25.96 ++++ + ++++* ++ Angle PHI LYS+ 44 263.00 301.00 10 9.95 24.61 * + ++ + + ++ + + Angle PSI LYS+ 44 314.00 10.00 10 8.91 39.04 + + + ++++++* Angle PHI GLU- 45 283.00 303.00 15 14.35 36.96 ++++ ++ +++ ++++* + Angle PSI GLU- 45 311.00 337.00 13 11.56 35.58 ++ ++ +++++ +++* Angle PHI THR 46 286.00 306.00 15 14.57 35.30 ++ ++++++++ ++++* Angle PSI THR 46 307.00 333.00 8 6.11 32.35 + + ++++* + Angle PHI VAL 47 286.00 306.00 15 11.70 33.07 ++ +++ ++ ++++ ++ +* Angle PSI VAL 47 304.00 324.00 8 6.24 34.92 + + + + *++ + Angle PHI ILE 48 291.00 311.00 13 10.38 30.98 + ++ +++++ ++ *+ + Angle PSI ILE 48 308.00 328.00 13 11.12 40.28 ++++ ++ +++++ + * Angle PHI TRP 51 251.00 281.00 9 7.89 36.78 + + + *++ + + + Angle PSI TRP 51 110.00 138.00 17 14.14 37.09 ++ ++ +*++++++++ +++ Angle PHI ARG+ 53 285.00 305.00 14 10.36 34.76 +++ + + ++*+++++ + Angle PSI ARG+ 53 314.00 334.00 20 28.26 44.61 +++++++++*++++++++++ Angle PHI GLU- 54 256.00 286.00 17 13.22 26.41 ++++ + ++++++*++++ + Angle PSI GLU- 54 331.00 13.00 6 4.46 25.93 + + * ++ + Angle PHI THR 61 232.00 276.00 16 15.52 41.89 ++++++++++++ + ++* Angle PSI THR 61 147.00 175.00 14 11.52 31.72 +++++ + ++++ + *+ + Angle PHI VAL 62 289.00 309.00 10 6.25 17.66 * ++ ++ + + ++ + Angle PSI VAL 62 316.00 336.00 8 6.85 34.06 + +++ * + ++ Angle PHI VAL 65 225.00 259.00 12 8.74 30.33 +++++ * +++++ + Angle PSI VAL 65 92.00 130.00 12 8.96 24.46 ++ +* + ++++ ++ + Angle PHI LYS+ 66 235.00 281.00 14 14.53 32.74 ++*++++ + + ++++ + Angle PSI LYS+ 66 118.00 152.00 8 5.08 24.51 *++ + + ++ + Angle PHI LEU 67 223.00 259.00 10 8.84 25.67 ++*+++ + + + + Angle PSI LEU 67 135.00 155.00 16 14.16 26.38 +++++++*+ + + +++ ++ Angle PHI ILE 68 227.00 253.00 12 9.94 41.72 ++ + + + +*++++ + Angle PSI ILE 68 110.00 146.00 7 4.24 16.63 + ++* + + + Angle PHI SER 69 218.00 274.00 7 5.95 21.77 + * + + + + + Angle PSI SER 69 110.00 134.00 7 3.80 14.26 + ++* + ++ Angle PHI LYS+ 72 235.00 261.00 8 4.67 15.83 ++ + ++* ++ Angle PSI LYS+ 72 116.00 150.00 9 5.85 32.51 ++++ + ++ + * Angle PHI VAL 73 244.00 278.00 9 5.32 24.66 + + + ++ ++ +* Angle PSI VAL 73 107.00 137.00 8 4.97 18.91 + + +++ + * + Angle PHI ASN 76 276.00 300.00 10 4.36 12.54 + * + + ++ +++ + Angle PHI THR 79 222.00 272.00 18 10.15 16.90 ++++ +++++++++*++++ Angle PSI THR 79 148.00 174.00 17 13.47 34.68 ++++ +++*++++++++ + Angle PSI VAL 80 313.00 333.00 7 4.45 14.31 ++ +* +++ Angle PHI LYS+ 81 287.00 307.00 8 4.86 13.26 ++ + ++ *++ Angle PHI LEU 90 254.00 298.00 6 3.87 18.29 ++ + + + * Angle PSI LEU 90 119.00 151.00 8 4.78 13.40 ++ + *+ + + + Angle PHI GLY 92 77.00 97.00 12 8.47 18.94 +++*++++ +++ + Angle PSI GLY 92 349.00 11.00 12 10.97 26.43 ++ + *++ +++++ + Angle PHI ALA 93 251.00 297.00 14 23.21 46.17 *+ + + +++++++++ + Angle PSI ALA 93 109.00 151.00 19 27.52 43.83 +++++++++*++ +++++++ Angle PHI VAL 94 245.00 279.00 14 13.43 34.61 *+++ ++++++ ++ ++ Angle PSI VAL 94 119.00 147.00 9 6.90 23.31 +++ ++ + *+ + Angle PHI THR 95 219.00 273.00 7 5.36 19.45 ++ + ++ * + Angle PSI THR 95 113.00 139.00 9 8.91 44.19 ++ + + *+++ + Angle PHI THR 96 246.00 294.00 10 9.01 42.47 + + ++ + +* ++ + Angle PSI THR 96 116.00 146.00 8 8.51 73.39 ++ ++ ++ *+ Angle PHI MET 97 248.00 292.00 16 14.44 44.09 +++++++ +++ + *++++ Angle PHI HIS+ 98 248.00 288.00 6 3.70 28.39 + ++ + +* Angle PSI HIS+ 98 121.00 149.00 18 20.72 47.35 *+++++++++++++ ++++ Angle PHI VAL 99 242.00 268.00 14 10.20 28.31 ++ ++++* + +++++ + Angle PSI VAL 99 121.00 143.00 13 12.36 40.80 ++ + ++ *++++ + ++ Angle PHI ILE 100 227.00 273.00 13 8.64 21.58 ++ + +* ++++ +++ + Angle PSI ILE 100 113.00 143.00 15 12.15 27.63 +++++ ++*++ ++ +++ Angle PHI ILE 101 252.00 274.00 8 6.99 25.27 * + ++ + ++ + Angle PSI ILE 101 107.00 131.00 12 9.16 30.42 ++ * ++ ++ ++++ + 78 violated distance constraints. 89 violated angle constraints. RMSDs for residues 20..108: Average backbone RMSD to mean : 6.43 +/- 1.35 A (4.39..10.07 A) Average heavy atom RMSD to mean : 6.88 +/- 1.44 A (4.85..10.97 A)