Structural statistics: str target upper limits van der Waals torsion angles function # sum max # sum max # sum max 1 374.73 26 246.9 2.50 233 131.0 0.79 68 1483.7 69.95 2 389.13 34 247.8 2.80 215 127.3 0.86 71 1532.4 67.96 3 413.57 26 234.9 3.08 223 135.7 0.84 71 1736.2105.55 4 431.80 34 244.4 3.05 250 137.4 0.78 72 1732.4 72.69 5 450.31 31 256.6 3.38 304 163.9 0.90 62 1408.8 75.95 6 452.74 38 247.7 3.03 292 155.5 0.86 64 1559.7120.94 7 454.74 34 265.1 3.13 257 141.9 0.91 74 1702.2 84.20 8 455.22 24 260.4 2.76 305 172.4 1.03 67 1724.9 56.69 9 455.76 32 272.0 3.06 345 175.9 0.92 70 1536.2 55.39 10 458.63 35 279.1 3.36 290 154.1 0.90 72 1583.5 93.50 11 460.58 32 262.8 2.66 349 178.1 0.90 68 1575.0 75.44 12 464.61 25 273.2 2.47 275 151.0 0.95 72 1841.2 76.03 13 464.74 23 259.9 3.49 329 181.6 1.21 69 1624.8 90.47 14 465.05 33 272.1 5.17 271 148.2 0.87 62 1423.3 86.16 15 468.27 35 264.5 3.09 342 178.8 0.80 67 1503.8 61.64 16 469.82 31 251.4 3.36 276 156.7 0.93 68 1709.6 66.80 17 473.33 36 282.5 3.40 283 154.1 1.04 72 1710.6 62.52 18 473.43 36 264.9 2.88 264 143.0 0.85 68 1761.6 83.60 19 479.26 39 284.5 3.40 300 166.3 0.97 65 1330.2 97.78 20 481.50 31 271.6 3.61 326 167.8 1.08 65 1498.3109.22 Ave 451.86 32 262.1 3.18 286 156.0 0.92 68 1598.9 80.62 +/- 27.89 5 13.2 0.56 39 16.3 0.10 3 133.4 17.56 Min 374.73 23 234.9 2.47 215 127.3 0.78 62 1330.2 55.39 Max 481.50 39 284.5 5.17 349 181.6 1.21 74 1841.2120.94 Constraints violated in 6 or more structures: Cutoffs: Upper distance limits : 1.50 A Lower distance limits : 0.20 A Angle constraints : 5.00 deg # mean max. 1 5 10 15 20 Upper HB2 SER 88 - HB3 LYS+ 110 3.39 7 1.14 1.90 + + ++ ++* # peak 390 # SUP 0.64 HG3 PRO 86 - HB2 SER 88 # SUP 0.39 HB3 GLU- 45 - HB2 SER 88 # SUP 0.55 HB2 LYS+ 44 - HB2 SER 88 # SUP 0.09 HB3 GLU- 75 - HB2 SER 88 # SUP 0.22 HB2 GLU- 45 - HB2 SER 88 # SUP 0.14 HA VAL 105 - HB3 GLU- 107 # SUP 0.46 Upper HB3 LYS+ 20 - HA SER 88 3.93 10 1.55 3.28 ++ + ++ *+ + ++ # peak 818 # SUP 0.92 HA SER 88 - QB ALA 91 # SUP 0.56 HB2 LYS+ 20 - HA SER 88 # SUP 0.59 HG LEU 74 - HA SER 88 # SUP 0.79 HD3 LYS+ 20 - HA SER 88 # SUP 0.67 Upper HA ARG+ 53 - HB3 GLU- 54 3.02 15 1.68 2.40 +++ *+ + + ++++++++ # peak 938 # SUP 1.71 HA ARG+ 53 - HD3 LYS+ 63 # SUP 0.65 HA ARG+ 53 - HB3 GLN 102 # SUP 0.08 HA ARG+ 53 - HB3 CYS 123 # SUP 0.02 HA ARG+ 53 - HB3 MET 118 # SUP 0.02 Upper HA GLU- 56 - HG3 GLU- 64 2.99 11 1.36 1.73 + +++ +++++ *+ # peak 991 # SUP 1.29 HA SER 85 - HB2 PRO 86 # SUP 3.20 HA SER 85 - HB3 PRO 86 # SUP 3.78 HG3 GLU- 64 - HA GLU- 75 # SUP 0.15 HA GLU- 56 - HA1 GLY 58 # SUP 1.91 HA ARG+ 84 - HB2 PRO 86 # SUP 0.47 HA1 GLY 58 - HA ARG+ 84 # SUP 0.66 HA GLU- 56 - HB3 PRO 86 # SUP 0.73 HA1 GLY 58 - HA LYS+ 108 # SUP 0.53 Upper HA ASN 89 - HA ALA 91 3.61 20 2.52 3.36 +++++++++*++++++++++ # peak 1245 # SUP 1.68 HA LYS+ 63 - HA ALA 91 # SUP 0.02 Upper HA ASN 89 - HA ALA 91 4.11 10 1.36 1.87 + +* + ++ ++ ++ # peak 1246 # SUP 1.68 HA ALA 91 - HA ALA 93 # SUP 0.10 HA ALA 91 - HA1 GLY 114 # SUP 0.02 HA LYS+ 44 - HA ALA 91 # SUP 0.02 Upper HA THR 95 - HD2 PRO 116 2.94 8 1.16 2.36 + *++ + ++ + # peak 1283 # SUP 0.62 HA ASN 89 - HD2 PRO 116 # SUP 1.19 HD2 PRO 86 - HA ASN 89 # SUP 0.50 HD3 PRO 86 - HA ASN 89 # SUP 0.50 Upper HA THR 95 - HD3 PRO 116 2.91 7 1.29 2.67 +*++ + ++ # peak 1287 # SUP 0.62 HA ASN 89 - HD3 PRO 116 # SUP 1.08 HA ASN 89 - HD3 PRO 112 # SUP 0.24 HD3 PRO 86 - HA ASN 89 # SUP 0.50 HA THR 95 - HD3 PRO 112 # SUP 0.02 Upper HB3 LEU 67 - HG LEU 74 3.41 8 1.20 2.46 + + + + +*+ + # peak 1365 # SUP 4.73 HB3 LEU 67 - HB ILE 68 # SUP 2.37 Upper HA ASN 89 - HB3 MET 97 3.91 7 1.18 2.29 + + ++ + * + # peak 1912 # SUP 1.25 HA VAL 73 - HB3 MET 97 # SUP 0.66 HB THR 24 - HB3 MET 97 # SUP 0.24 HB3 MET 97 - HA LYS+ 111 # SUP 0.24 HA LYS+ 66 - HB3 MET 97 # SUP 0.34 HB3 MET 97 - HA VAL 99 # SUP 0.39 Upper HB2 GLU- 45 - HB2 GLU- 50 3.00 6 1.19 3.12 + * + ++ + # peak 2325 # SUP 1.75 HB3 GLU- 45 - HB2 GLU- 50 # SUP 2.15 HB2 LYS+ 44 - HB2 GLU- 50 # SUP 0.91 HB2 GLU- 50 - HG3 PRO 86 # SUP 0.24 HB2 GLU- 50 - HG3 ARG+ 53 # SUP 0.35 HB2 GLU- 50 - HB3 GLU- 107 # SUP 0.02 HB2 GLU- 50 - HB3 LYS+ 110 # SUP 0.13 Upper HG3 ARG+ 84 - HA ASN 89 3.69 7 1.46 2.68 ++ + * + ++ # peak 2535 # SUP 2.66 HG3 ARG+ 84 - HA LEU 90 # SUP 0.69 HG3 ARG+ 84 - HA THR 106 # SUP 0.72 HG3 ARG+ 84 - HA SER 85 # SUP 1.00 HA VAL 73 - HG3 ARG+ 84 # SUP 0.14 HA PRO 52 - HG3 ARG+ 84 # SUP 0.41 HG3 ARG+ 84 - HA ALA 91 # SUP 0.23 Upper HB VAL 62 - HG LEU 74 3.43 9 1.26 3.43 + ++ ++ + + +* # peak 2558 # SUP 1.64 HB2 LYS+ 44 - HG LEU 74 # SUP 1.44 HG LEU 74 - HB3 LYS+ 110 # SUP 0.83 HG LEU 74 - HB VAL 105 # SUP 1.73 HB3 GLU- 45 - HG LEU 74 # SUP 1.82 HG LEU 74 - HB3 GLU- 75 # SUP 2.30 HB2 GLU- 45 - HG LEU 74 # SUP 1.88 HG LEU 74 - HG3 PRO 86 # SUP 0.13 HB3 GLU- 45 - QB ALA 103 # SUP 0.74 HB2 GLU- 45 - QB ALA 103 # SUP 0.95 Upper QG1 VAL 99 - QD1 ILE 101 3.04 6 1.18 2.76 *+ + ++ + # peak 3024 # SUP 0.86 QD1 LEU 23 - QG1 VAL 99 # SUP 0.47 Upper HA LYS+ 60 - HB THR 61 2.52 15 1.76 2.59 +++ ++++ + ++ ++*++ # peak 3343 # SUP 1.55 HA2 GLY 26 - HB THR 61 # SUP 0.16 HB THR 61 - HA VAL 73 # SUP 0.15 HA1 GLY 26 - HB THR 61 # SUP 0.02 Upper HG2 PRO 31 - HA ILE 68 4.26 7 1.02 2.75 + + + + + * + # peak 3432 # SUP 0.97 HG2 PRO 31 - HA PHE 34 # SUP 0.51 Upper HA ILE 68 - QB ALA 70 4.47 6 1.02 2.10 + ++ *+ + # peak 3811 # SUP 0.75 HA PHE 34 - QB ALA 70 # SUP 0.02 Upper QD TYR 83 - HG3 ARG+ 84 3.62 7 1.01 2.21 ++ ++* + + # peak 551 # SUP 2.89 HD3 LYS+ 55 - QD TYR 83 # SUP 0.43 QD TYR 83 - HB3 MET 126 # SUP 0.09 QD TYR 83 - HB VAL 99 # SUP 0.02 Upper QG2 VAL 94 - HN MET 97 3.61 6 1.07 2.09 * ++ + + + # peak 69 # SUP 1.04 HG LEU 67 - HN MET 97 # SUP 0.39 HG2 PRO 59 - HN MET 97 # SUP 0.37 QG1 VAL 62 - HN MET 97 # SUP 0.28 HN MET 97 - QG2 ILE 101 # SUP 0.20 QG2 ILE 48 - HN MET 97 # SUP 0.17 Upper HN MET 97 - HA HIS+ 98 3.65 10 1.32 2.25 + ++* ++ + ++ + # peak 71 # SUP 1.40 HA ALA 33 - HN MET 97 # SUP 1.90 HN MET 97 - HA GLN 102 # SUP 0.25 Upper HN THR 96 - HB3 MET 97 4.49 9 1.24 2.11 + ++ ++* +++ # peak 191 # SUP 1.40 HN THR 96 - HG12 ILE 101 # SUP 0.39 HB2 LEU 67 - HN THR 96 # SUP 0.34 HN THR 96 - HB3 MET 126 # SUP 0.28 HN THR 96 - HB ILE 100 # SUP 0.10 HB3 ARG+ 22 - HN THR 96 # SUP 0.02 Upper HG3 PRO 31 - HN VAL 73 3.19 9 1.42 2.68 +++ + +* +++ # peak 218 # SUP 0.58 HN VAL 73 - HG3 PRO 116 # SUP 0.28 HN VAL 73 - HB2 GLU- 75 # SUP 0.15 HN VAL 73 - HB2 PRO 116 # SUP 0.17 HN VAL 73 - HG3 PRO 104 # SUP 0.49 HB ILE 29 - HN VAL 73 # SUP 0.18 HB3 LYS+ 55 - HN VAL 73 # SUP 0.02 HN VAL 73 - HG2 PRO 112 # SUP 0.02 HN VAL 73 - HB VAL 122 # SUP 0.02 Upper HA ASN 89 - HN ALA 93 3.47 7 1.44 2.42 +*++ + + + # peak 291 # SUP 1.80 HA LEU 90 - HN ALA 93 # SUP 1.18 HA VAL 73 - HN ALA 93 # SUP 0.41 Upper HN ILE 68 - HN HIS+ 98 4.25 10 1.49 2.36 ++ + + +* ++ + + # peak 460 # SUP 0.64 HN ILE 68 - HN ALA 70 # SUP 0.99 Upper HN VAL 99 - QD1 ILE 101 4.52 6 0.95 2.12 ++ ++ * + # peak 541 # SUP 0.60 QD1 LEU 23 - HN VAL 99 # SUP 0.19 Upper QG2 ILE 48 - HN VAL 65 3.36 8 1.28 2.96 +++++ + + * # peak 742 # SUP 0.61 HG2 PRO 59 - HN VAL 65 # SUP 0.50 HN VAL 65 - QG2 ILE 101 # SUP 0.51 HN VAL 65 - HG LEU 67 # SUP 0.48 HN VAL 65 - QG2 VAL 94 # SUP 0.68 Upper QD2 LEU 23 - HA ASP- 115 3.38 9 1.11 2.28 ++ + + + + + +* # peak 2000 # SUP 3.61 QD2 LEU 23 - HA PRO 116 # SUP 2.51 QD2 LEU 23 - HA LYS+ 113 # SUP 1.25 QD2 LEU 23 - HA ASN 89 # SUP 0.57 QD2 LEU 23 - HA MET 97 # SUP 0.41 HA ASN 89 - HB2 LYS+ 117 # SUP 0.75 HA ASN 89 - HB3 LYS+ 117 # SUP 0.75 HA ASN 89 - HB3 PRO 116 # SUP 1.06 HB3 LYS+ 63 - HA ASN 89 # SUP 0.32 HB3 LYS+ 63 - HA VAL 73 # SUP 0.52 HB3 LYS+ 63 - HA LYS+ 78 # SUP 0.02 HA LYS+ 78 - HB2 LYS+ 117 # SUP 0.02 HA LYS+ 78 - HB3 LYS+ 117 # SUP 0.02 Upper HN ILE 48 - HB3 LEU 67 3.32 6 1.16 2.76 + * + + ++ # peak 625 # SUP 2.20 HN ILE 48 - HG LEU 74 # SUP 1.23 HZ2 TRP 51 - HG LEU 90 # SUP 0.35 HN ASN 89 - HN LYS+ 110 # SUP 0.83 HN LYS+ 110 - HN MET 118 # SUP 0.67 HN ASN 89 - HN CYS 121 # SUP 0.02 Upper HB2 LEU 67 - QD2 LEU 74 2.26 8 1.16 2.49 ++ + *++++ # peak 2391 # SUP 1.73 QD2 LEU 74 - HG3 ARG+ 84 # SUP 1.43 QD2 LEU 74 - HB3 MET 97 # SUP 0.94 QD2 LEU 74 - HB3 MET 126 # SUP 0.73 HG LEU 74 - HB3 MET 126 # SUP 1.45 HG LEU 90 - HB3 MET 126 # SUP 0.38 Upper HN LEU 43 - QD2 LEU 74 3.31 9 1.36 3.49 ++ ++ +* ++ + # peak 3878 # SUP 1.23 HZ PHE 21 - QB ALA 103 # SUP 1.35 QD PHE 21 - QB ALA 103 # SUP 0.75 QB ALA 103 - HD21 ASN 119 # SUP 0.20 Upper HA ASN 89 - HA VAL 94 2.75 6 1.07 2.82 + +* + ++ # peak 136 # SUP 2.77 HA ASN 89 - HA THR 106 # SUP 1.15 HA ILE 29 - HA ASN 89 # SUP 0.41 HA VAL 73 - HA VAL 94 # SUP 1.75 HA VAL 73 - HA THR 106 # SUP 1.12 HA LYS+ 44 - HA VAL 94 # SUP 0.50 HA GLU- 64 - HA VAL 94 # SUP 0.08 HN ARG+ 22 - QD1 ILE 68 # SUP 0.94 HN ARG+ 22 - HG LEU 67 # SUP 0.50 HN ARG+ 22 - HG LEU 74 # SUP 0.61 HN ARG+ 22 - HG3 LYS+ 66 # SUP 0.08 HN ARG+ 22 - QG2 VAL 40 # SUP 0.02 HN ARG+ 22 - QG2 ILE 48 # SUP 0.02 HN ARG+ 22 - QG2 ILE 101 # SUP 0.02 Upper HB2 LYS+ 20 - HN LYS+ 117 3.67 6 1.01 2.17 + +++ + * # peak 721 # SUP 2.04 HB3 LYS+ 20 - HN LYS+ 117 # SUP 1.31 QG2 THR 39 - HN LYS+ 117 # SUP 1.03 HD3 LYS+ 20 - HN LYS+ 117 # SUP 1.46 HG3 LYS+ 20 - HN LYS+ 117 # SUP 1.38 HG LEU 74 - HN LYS+ 117 # SUP 0.71 HA VAL 73 - HN THR 106 # SUP 1.78 HA ASN 76 - HN LYS+ 81 # SUP 0.72 HA VAL 73 - HN LYS+ 81 # SUP 1.44 HA SER 77 - HN LYS+ 81 # SUP 0.72 HN LYS+ 81 - HA CYS 123 # SUP 0.41 HA ASN 89 - HN THR 106 # SUP 0.51 HA LYS+ 55 - HN LYS+ 81 # SUP 0.54 HN LYS+ 81 - HA ALA 103 # SUP 0.46 HA LYS+ 55 - HN THR 106 # SUP 0.26 HA LYS+ 32 - HN LYS+ 81 # SUP 0.25 Upper HA ASN 89 - HB3 GLN 102 2.85 6 1.07 2.19 ++ + *+ + # peak 3397 # SUP 1.91 HA SER 49 - HB3 GLN 102 # SUP 1.18 HB3 SER 49 - HB3 GLN 102 # SUP 0.80 HA PRO 59 - HB3 GLN 102 # SUP 0.71 HA VAL 73 - HB3 GLN 102 # SUP 0.52 HA GLU- 54 - HB3 GLN 102 # SUP 0.08 QD2 LEU 23 - HA ASN 89 # SUP 0.57 QD2 LEU 23 - HD3 PRO 116 # SUP 1.17 QD2 LEU 23 - HB3 SER 88 # SUP 0.29 QD2 LEU 23 - HA LYS+ 44 # SUP 0.19 QD2 LEU 23 - HA VAL 87 # SUP 0.09 QD2 LEU 23 - HB2 SER 85 # SUP 0.16 QD2 LEU 23 - HD3 PRO 86 # SUP 0.02 Upper HG LEU 74 - HN VAL 122 3.52 6 1.32 3.40 ++ + + +* # peak 51 # SUP 1.90 HB2 LEU 74 - HN VAL 122 # SUP 1.85 HB2 LEU 74 - HN CYS 121 # SUP 1.94 HG LEU 74 - HN CYS 121 # SUP 1.92 HB ILE 68 - HN VAL 122 # SUP 0.62 HB ILE 68 - HN CYS 121 # SUP 0.56 HB3 GLU- 75 - HN ILE 101 # SUP 1.52 HB2 GLU- 45 - HN ILE 101 # SUP 0.39 HG3 ARG+ 53 - HN ILE 101 # SUP 0.19 HN ILE 101 - HB3 LYS+ 110 # SUP 0.56 HN ILE 101 - HB2 LYS+ 110 # SUP 0.49 HN ILE 101 - HB3 LYS+ 120 # SUP 0.16 HA1 GLY 58 - HN ILE 101 # SUP 0.60 HN ILE 101 - HD3 LYS+ 110 # SUP 0.25 Upper QD PHE 21 - QD1 LEU 43 3.28 6 1.24 2.47 + + ++ * + # peak 817 # SUP 1.85 HZ PHE 21 - QD1 LEU 43 # SUP 1.19 QD1 LEU 43 - HD21 ASN 119 # SUP 0.76 HN SER 27 - HA ASN 89 # SUP 2.26 HN SER 27 - HA ILE 48 # SUP 1.68 HN SER 27 - HB3 SER 88 # SUP 0.50 HN SER 27 - HA VAL 87 # SUP 0.09 HN SER 27 - HD3 PRO 86 # SUP 0.08 Upper HD3 LYS+ 32 - HN LYS+ 55 3.32 7 1.12 2.29 + * ++ ++ + # peak 161 # SUP 1.27 HB3 LYS+ 32 - HN LYS+ 55 # SUP 0.85 HN LYS+ 55 - HG3 LYS+ 110 # SUP 0.30 HN LYS+ 55 - HG2 LYS+ 110 # SUP 0.31 HN THR 96 - HA LYS+ 113 # SUP 0.97 HN THR 96 - HA PRO 116 # SUP 0.89 HN THR 96 - HA ASP- 115 # SUP 0.63 HA ASN 89 - HN THR 96 # SUP 1.46 HN THR 96 - HA GLU- 107 # SUP 0.75 HN ARG+ 22 - HA LYS+ 113 # SUP 0.36 HN ARG+ 22 - HA PRO 116 # SUP 0.41 HN ARG+ 22 - HA ASP- 115 # SUP 0.37 Angle PHI LYS+ 20 204.00 242.00 6 3.32 13.00 * + + + + + Angle PSI LYS+ 20 128.00 162.00 13 13.41 37.58 ++++ + +* + +++++ Angle PHI PHE 21 237.00 261.00 15 16.90 40.69 *+ ++++ +++++ ++ + + Angle PSI PHE 21 106.00 132.00 20 24.42 52.30 ++++++++++++*+++++++ Angle PHI ARG+ 22 225.00 267.00 12 11.73 76.03 ++++++ ++ * ++ + Angle PSI ARG+ 22 107.00 141.00 8 7.45 25.24 +* + +++ + + Angle PHI THR 24 276.00 298.00 10 6.58 19.25 *+++ + + ++ + + Angle PSI THR 24 313.00 345.00 7 4.96 24.81 * + ++ ++ + Angle PHI ASP- 25 248.00 276.00 6 6.55 26.67 +* + ++ + Angle PHI ASP- 28 210.00 256.00 11 7.52 28.00 + + +* +++ + ++ + Angle PSI ASP- 28 127.00 157.00 13 8.61 30.39 + + +++ ++ ++++*+ Angle PHI ILE 29 214.00 268.00 8 7.42 52.66 ++ + ++ + * + Angle PSI ILE 29 109.00 149.00 12 11.71 33.22 + +++ ++ + ++++* Angle PSI PRO 31 128.00 150.00 15 17.43 57.70 ++ ++++ +++ ++ *+++ Angle PSI LYS+ 32 137.00 157.00 11 13.02 59.16 + + +++ + ++ ++* Angle PHI ALA 33 246.00 278.00 8 8.45 49.56 + + + + +++* Angle PSI ALA 33 120.00 148.00 12 10.27 39.37 ++ ++ ++*+ ++++ Angle PSI PRO 35 119.00 149.00 13 7.08 24.64 + +++++ ++ +++*+ Angle PHI THR 38 261.00 293.00 11 7.05 26.05 + ++ ++ +* ++++ Angle PSI THR 38 113.00 153.00 8 5.04 23.78 + + + + + *++ Angle PHI VAL 40 282.00 302.00 8 4.76 14.72 *+ + ++++ + Angle PSI VAL 40 319.00 339.00 10 5.94 18.75 ++ + + + ++++* Angle PHI SER 41 281.00 301.00 13 8.24 24.61 * ++++++ +++++ + Angle PSI SER 41 309.00 329.00 18 14.86 41.85 +++++ +++++++++++ *+ Angle PHI ALA 42 282.00 302.00 9 4.84 16.36 +++ + +* + ++ Angle PSI ALA 42 314.00 334.00 14 15.66 55.10 +++ + +++ + +*+ +++ Angle PHI LEU 43 283.00 303.00 13 11.70 53.61 + * ++ ++ ++++ +++ Angle PSI LEU 43 314.00 338.00 14 24.96 105.55 +*+ ++++ + + +++++ Angle PHI LYS+ 44 263.00 301.00 13 17.06 60.86 + * + +++ +++ ++++ Angle PSI LYS+ 44 314.00 10.00 16 29.33 59.60 +++ + +++ +++ ++*+++ Angle PHI GLU- 45 283.00 303.00 18 23.14 63.54 +++++++++ +++++ +++* Angle PSI GLU- 45 311.00 337.00 14 20.63 66.47 + *++ ++++ +++++ + Angle PHI THR 46 286.00 306.00 17 20.05 83.60 +++++ ++++ ++++++* + Angle PSI THR 46 307.00 333.00 17 26.05 57.44 +++++++++++++ *+ ++ Angle PHI VAL 47 286.00 306.00 14 14.03 44.25 ++++ ++*++ +++ + + Angle PSI VAL 47 304.00 324.00 15 19.11 62.98 ++++ +++++++ +++ * Angle PHI ILE 48 291.00 311.00 18 19.98 37.63 +++ ++++++++++++++ * Angle PSI ILE 48 308.00 328.00 8 5.36 21.46 + ++ + * + + + Angle PHI TRP 51 251.00 281.00 10 6.30 21.15 + ++*+++ +++ Angle PSI TRP 51 110.00 138.00 14 16.22 45.40 + +++ ++ *++++ +++ Angle PHI ARG+ 53 285.00 305.00 13 9.38 20.31 + ++++++ ++* +++ Angle PSI ARG+ 53 314.00 334.00 20 26.54 46.43 +++*++++++++++++++++ Angle PHI GLU- 54 256.00 286.00 18 27.25 52.75 +++* +++++++++ +++++ Angle PSI GLU- 54 331.00 13.00 14 9.93 25.74 +++++++ +++ ++ +* Angle PHI THR 61 232.00 276.00 18 18.38 38.51 +++++++++*+ ++ +++++ Angle PSI THR 61 147.00 175.00 10 6.92 28.82 ++ + + *++ +++ Angle PHI VAL 62 289.00 309.00 9 7.22 19.86 +++++ + + * + Angle PSI VAL 62 316.00 336.00 12 10.17 27.74 ++ ++ * + ++ ++ ++ Angle PHI VAL 65 225.00 259.00 9 6.31 22.46 ++++ ++ * ++ Angle PSI VAL 65 92.00 130.00 16 20.37 55.39 + ++ ++*+ +++++++++ Angle PHI LYS+ 66 235.00 281.00 14 13.27 41.18 ++++ ++ *++ ++ ++ + Angle PSI LYS+ 66 118.00 152.00 13 14.10 75.95 + +*++ +++ ++ +++ Angle PHI LEU 67 223.00 259.00 10 13.00 37.52 + * +++++ ++ + Angle PSI LEU 67 135.00 155.00 18 21.18 55.77 ++++++*++++ ++++ +++ Angle PHI ILE 68 227.00 253.00 15 23.11 71.15 ++ ++++++*++ + + ++ Angle PSI ILE 68 110.00 146.00 11 12.91 46.93 ++ +++ + +*++ + Angle PHI SER 69 218.00 274.00 12 12.39 39.81 ++ +++ ++* + + + + Angle PSI SER 69 110.00 134.00 19 31.55 50.72 +*++++++++ +++++++++ Angle PHI LYS+ 72 235.00 261.00 6 6.65 61.06 +++ *+ + Angle PSI LYS+ 72 116.00 150.00 14 15.39 35.33 +++ +++ *++ + ++ ++ Angle PHI VAL 73 244.00 278.00 12 12.28 42.63 + ++ + +++ ++*+ + Angle PSI VAL 73 107.00 137.00 16 12.23 41.88 + ++*+++++++++ +++ Angle PHI ASN 76 276.00 300.00 11 6.92 24.51 + + + *+++++++ Angle PSI ASN 76 320.00 344.00 11 6.22 17.47 ++ + *++ ++ ++ + Angle PHI THR 79 222.00 272.00 8 5.63 21.24 ++ + + * + + + Angle PSI THR 79 148.00 174.00 17 18.14 36.77 ++++++*++ ++++ ++++ Angle PHI VAL 80 284.00 304.00 6 3.18 12.11 + +*+ + + Angle PSI VAL 80 313.00 333.00 14 12.64 30.12 ++++ +++ * +++ ++ + Angle PHI LYS+ 81 287.00 307.00 9 6.21 28.20 +++ + * + ++ + Angle PSI LYS+ 81 309.00 331.00 9 5.63 23.95 ++++ + + * + + Angle PHI ARG+ 84 239.00 303.00 9 4.28 16.35 ++ *+++ + ++ Angle PSI ARG+ 84 118.00 162.00 16 12.80 36.28 +++++ ++++++ + +*++ Angle PHI SER 85 256.00 276.00 13 9.28 35.49 + + ++ ++++*++++ Angle PSI SER 85 113.00 153.00 12 9.98 30.59 + ++ ++++ +++ *+ Angle PHI LEU 90 254.00 298.00 18 25.44 59.93 ++*+++++++++ ++++++ Angle PSI LEU 90 119.00 151.00 20 44.68 72.69 +++*++++++++++++++++ Angle PHI GLY 92 77.00 97.00 9 6.58 24.19 ++ ++ + + + + * Angle PSI GLY 92 349.00 11.00 13 12.25 39.60 ++ + + *++ ++ ++ + + Angle PHI ALA 93 251.00 297.00 17 30.25 73.11 ++ +++++++ +* ++++++ Angle PSI ALA 93 109.00 151.00 17 32.42 68.33 ++++ ++++*+ +++++++ Angle PHI VAL 94 245.00 279.00 14 20.11 45.16 +++++ *+++++ + + + Angle PSI VAL 94 119.00 147.00 13 11.92 30.94 +++ + + ++ + *++++ Angle PHI THR 95 219.00 273.00 7 8.85 42.06 + ++ ++ +* Angle PSI THR 95 113.00 139.00 19 37.34 97.78 +++++++ ++++++++++*+ Angle PHI THR 96 246.00 294.00 15 16.82 46.59 +++*++++++ + ++ + + Angle PSI THR 96 116.00 146.00 16 25.48 84.78 ++ ++++++++* +++ ++ Angle PHI MET 97 248.00 292.00 10 10.27 27.38 ++++ +* ++++ Angle PSI MET 97 120.00 166.00 18 21.63 45.89 +++ + ++++++++*+++++ Angle PHI HIS+ 98 248.00 288.00 13 10.54 37.09 ++++ + + +++ *++ + Angle PSI HIS+ 98 121.00 149.00 20 40.37 74.90 +++++++++++++*++++++ Angle PHI VAL 99 242.00 268.00 16 30.45 109.22 +++ ++++ ++++ ++++* Angle PSI VAL 99 121.00 143.00 19 41.56 120.94 + +++*++++++++++++++ Angle PHI ILE 100 227.00 273.00 16 23.81 49.48 * +++ + ++++++++++ + Angle PSI ILE 100 113.00 143.00 17 42.24 88.65 ++*++ ++ ++++++++++ Angle PHI ILE 101 252.00 274.00 20 42.37 90.47 ++++++++++++*+++++++ Angle PSI ILE 101 107.00 131.00 15 20.75 61.64 +++++ +++++ +*++ + Angle PHI GLN 102 231.00 287.00 15 16.72 52.78 ++ ++ + ++++++* +++ Angle PSI GLN 102 122.00 152.00 12 16.02 65.83 ++* ++++ ++++ + Angle PHI VAL 105 255.00 287.00 14 13.53 58.38 + + *++ ++++ +++ ++ Angle PSI VAL 105 109.00 151.00 14 15.44 47.32 + + ++ ++ +*+++ +++ Angle PHI THR 106 251.00 289.00 10 10.32 51.79 + ++ ++ * ++ ++ Angle PSI THR 106 112.00 150.00 12 10.39 33.13 ++++ * + + + ++++ 36 violated distance constraints. 102 violated angle constraints. RMSDs for residues 20..123: Average backbone RMSD to mean : 7.73 +/- 0.91 A (6.02..9.50 A) Average heavy atom RMSD to mean : 8.43 +/- 1.06 A (6.47..10.38 A)