Structural statistics: str target upper limits van der Waals torsion angles function # sum max # sum max # sum max 1 445.00 29 259.5 2.79 295 160.2 0.97 76 1714.3 91.48 2 451.37 29 257.1 3.19 290 162.8 0.90 67 1646.7 99.39 3 454.89 38 268.1 2.71 260 141.3 0.98 72 1724.3 69.44 4 463.38 36 281.9 3.09 263 144.2 0.84 76 1750.7 94.60 5 467.20 34 266.6 3.23 312 173.2 1.21 68 1615.9 80.78 6 504.34 35 279.2 2.74 350 178.7 1.00 73 1726.7 83.99 7 504.43 40 298.0 2.40 309 166.5 0.89 75 1750.9 88.29 8 505.70 36 271.7 3.31 353 192.5 1.06 74 1732.9101.25 9 511.24 38 283.9 2.56 345 185.5 1.00 77 1779.7 67.66 10 513.92 40 297.1 3.11 325 184.9 1.06 67 1587.6 78.86 11 517.00 30 282.0 3.02 326 177.1 1.15 71 1817.7104.47 12 518.69 27 258.1 3.91 380 217.8 1.13 69 1692.8123.49 13 527.29 36 283.6 3.24 362 188.7 0.91 75 1804.5 71.49 14 527.85 30 299.0 3.28 376 187.8 0.99 79 1934.7 94.42 15 530.80 30 289.8 3.40 368 196.4 1.21 72 1794.7 98.39 16 530.92 41 283.4 3.24 416 216.7 1.29 63 1366.7 64.30 17 532.05 44 314.3 2.72 341 182.8 1.05 69 1530.5 63.59 18 533.85 43 286.1 2.93 347 186.4 1.05 78 1931.4 66.04 19 534.27 36 282.6 3.04 382 199.9 1.00 79 1873.3 75.06 20 534.72 40 294.8 2.97 351 187.9 1.00 69 1781.1 92.38 Ave 505.45 36 281.8 3.04 338 181.6 1.03 72 1727.9 85.47 +/- 30.21 5 14.7 0.33 39 19.4 0.11 4 130.4 15.69 Min 445.00 27 257.1 2.40 260 141.3 0.84 63 1366.7 63.59 Max 534.72 44 314.3 3.91 416 217.8 1.29 79 1934.7123.49 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 HN VAL 47 - QB ALA 103 2.87 6 0.94 1.90 * + + +++ # peak 165 # SUP 3.15 HZ PHE 34 - QB ALA 103 # SUP 0.92 QD PHE 34 - QB ALA 103 # SUP 1.09 HZ2 TRP 51 - QB ALA 103 # SUP 0.44 QE PHE 34 - QB ALA 103 # SUP 0.40 HE22 GLN 102 - QB ALA 103 # SUP 0.97 Upper HA VAL 73 - HB3 PRO 104 3.10 8 1.29 2.46 ++ ++ ++* + # peak 301 # SUP 1.51 HA VAL 73 - HB2 ASP- 82 # SUP 0.16 HA VAL 73 - HB3 GLU- 75 # SUP 0.37 HA VAL 73 - HG3 GLU- 109 # SUP 0.31 HA VAL 73 - HG3 GLU- 107 # SUP 0.40 HA VAL 73 - HG2 PRO 104 # SUP 1.89 HA VAL 73 - HB2 LYS+ 113 # SUP 0.41 HA VAL 73 - HG2 GLN 102 # SUP 0.28 Upper HB2 SER 88 - HB3 LYS+ 110 3.39 6 1.12 2.28 + + + + * + # peak 390 # SUP 0.65 HB2 GLU- 45 - HB2 SER 88 # SUP 0.61 HB3 GLU- 45 - HB2 SER 88 # SUP 0.81 HG3 PRO 86 - HB2 SER 88 # SUP 0.38 HB2 LYS+ 44 - HB2 SER 88 # SUP 0.09 HA VAL 105 - HB3 GLU- 107 # SUP 0.46 HB3 GLU- 75 - HB2 SER 88 # SUP 0.13 Upper HB3 LYS+ 20 - HA SER 88 3.93 7 1.20 2.97 +++ ++ + * # peak 818 # SUP 1.23 HB2 LYS+ 20 - HA SER 88 # SUP 0.87 HG13 ILE 19 - HA SER 88 # SUP 0.65 HA SER 88 - QB ALA 91 # SUP 0.50 HG3 LYS+ 20 - HA SER 88 # SUP 1.06 HG LEU 74 - HA SER 88 # SUP 0.55 HD3 LYS+ 20 - HA SER 88 # SUP 0.68 Upper HA ARG+ 53 - HB3 GLU- 54 3.03 15 1.71 2.57 +++++++++ + + *+++ # peak 938 # SUP 1.71 HA ARG+ 53 - HD3 LYS+ 63 # SUP 0.49 HA ARG+ 53 - HB3 GLN 102 # SUP 0.10 HA ARG+ 53 - HB3 CYS 123 # SUP 0.02 HG2 GLU- 18 - HA ARG+ 53 # SUP 0.02 HA ARG+ 53 - HB3 MET 118 # SUP 0.02 Upper HA GLU- 56 - HG3 GLU- 64 2.99 11 1.29 1.80 * ++ ++++ + +++ # peak 991 # SUP 0.86 HA SER 85 - HB2 PRO 86 # SUP 3.20 HG3 GLU- 64 - HA LYS+ 108 # SUP 0.43 HA SER 85 - HB3 PRO 86 # SUP 3.79 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 0.48 HA1 GLY 58 - HA ARG+ 84 # SUP 0.66 HA GLU- 56 - HB3 PRO 86 # SUP 0.73 HG3 GLU- 64 - HA SER 85 # SUP 0.02 Upper HA ASN 89 - HA ALA 91 3.61 20 2.49 3.28 +++++++++++++*++++++ # peak 1245 # SUP 1.74 HA LYS+ 63 - HA ALA 91 # SUP 0.02 Upper HA ASN 89 - HA ALA 91 4.12 12 1.51 1.72 ++ +++++++++ * # peak 1246 # SUP 1.74 HA ALA 91 - HA ALA 93 # SUP 0.45 Upper QD1 ILE 101 - HA GLN 102 3.36 7 1.03 2.11 + +* + ++ + # peak 1262 # SUP 1.61 HA HIS+ 98 - QD1 ILE 101 # SUP 0.68 HA ALA 33 - QD1 ILE 101 # SUP 0.17 Upper HB3 LEU 67 - HG LEU 74 3.42 7 1.19 2.36 ++ + *++ + # peak 1365 # SUP 4.52 HB3 LEU 67 - HB ILE 68 # SUP 2.37 Upper HB2 LEU 17 - HB3 GLU- 50 2.95 8 1.31 2.59 *++ + + + ++ # peak 1396 # SUP 1.62 HB2 LEU 17 - HB3 GLU- 18 # SUP 2.17 HB2 LEU 17 - HB ILE 48 # SUP 1.58 HB2 LEU 17 - HB VAL 94 # SUP 0.26 Upper HA LYS+ 60 - HB THR 61 2.52 17 1.77 2.76 +++++++ ++++ ++ +++* # peak 3343 # SUP 1.55 HA2 GLY 26 - HB THR 61 # SUP 0.18 HB THR 61 - HA ASN 89 # SUP 0.27 HB THR 61 - HA VAL 73 # SUP 0.17 HA1 GLY 26 - HB THR 61 # SUP 0.02 Upper HA LYS+ 44 - HB2 GLU- 50 4.61 6 1.06 1.99 +++ *+ + # peak 3562 # SUP 1.30 HB2 GLU- 50 - HA ASN 89 # SUP 1.33 HA ILE 48 - HB2 GLU- 50 # SUP 1.68 HB2 GLU- 50 - HA VAL 87 # SUP 0.66 HB2 GLU- 50 - HB3 SER 88 # SUP 0.42 HB2 GLU- 50 - HD3 PRO 86 # SUP 0.51 HB2 GLU- 50 - HD2 PRO 86 # SUP 0.75 HB2 GLU- 50 - HB2 SER 85 # SUP 0.26 Upper QE PHE 21 - QB ALA 103 3.75 7 1.15 2.76 + + ++ * ++ # peak 570 # SUP 1.14 QE PHE 21 - HG LEU 74 # SUP 2.00 HG3 LYS+ 20 - QE PHE 21 # SUP 1.40 HB2 LEU 17 - QE PHE 21 # SUP 0.55 Upper HN THR 96 - HB3 MET 97 4.50 7 1.10 2.10 + *+ + + + + # peak 191 # SUP 1.46 HG3 ARG+ 84 - HN THR 96 # SUP 0.33 HN THR 96 - HB3 MET 126 # SUP 0.28 HN LEU 17 - HG3 ARG+ 84 # SUP 1.29 HB3 ARG+ 22 - HN THR 96 # SUP 0.02 Upper HG3 PRO 31 - HN VAL 73 3.20 13 1.63 3.40 +++ +++++ ++* ++ # peak 218 # SUP 0.58 HN VAL 73 - HG3 PRO 116 # SUP 0.28 HN VAL 73 - HB2 GLU- 75 # SUP 0.14 HN VAL 73 - HB2 PRO 116 # SUP 0.17 HN VAL 73 - HG3 PRO 104 # SUP 0.47 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 3.48 7 1.23 2.74 + + + + + *+ # peak 291 # SUP 1.83 HA LEU 90 - HN ALA 93 # SUP 1.27 HA VAL 73 - HN ALA 93 # SUP 0.44 Upper HN VAL 99 - HG2 PRO 104 3.55 6 1.00 2.21 + + + * + + # peak 536 # SUP 0.64 HN VAL 99 - HG2 GLN 102 # SUP 0.84 HN VAL 99 - HG3 GLN 102 # SUP 0.58 HA1 GLY 58 - HN VAL 99 # SUP 0.63 HB3 GLU- 75 - HN VAL 99 # SUP 0.24 HB2 ASP- 28 - HN VAL 99 # SUP 0.22 Upper QD1 LEU 23 - HN VAL 99 4.53 6 0.76 2.23 ++* + + + # peak 541 # SUP 0.50 HN VAL 99 - QD1 ILE 101 # SUP 0.72 Upper HA ASN 76 - HN VAL 80 3.50 9 1.32 2.44 + ++ ++ * ++ + # peak 660 # SUP 0.59 HA VAL 73 - HN VAL 80 # SUP 0.95 HA LYS+ 55 - HN VAL 80 # SUP 0.43 HN VAL 80 - HA CYS 123 # SUP 0.02 HA SER 77 - HN VAL 80 # SUP 0.02 Upper HG2 PRO 59 - HN VAL 65 3.37 12 1.55 2.76 + +++ ++*+ + + ++ # peak 742 # SUP 1.43 QG2 ILE 48 - HN VAL 65 # SUP 0.58 HN VAL 65 - HG LEU 67 # SUP 0.42 HG12 ILE 19 - HN VAL 65 # SUP 0.33 HN VAL 65 - QG2 ILE 101 # SUP 0.14 QD1 ILE 19 - HN VAL 65 # SUP 0.09 Upper HN SER 27 - HA ASN 89 4.19 6 1.03 2.76 * + + +++ # peak 816 # SUP 2.26 HN SER 27 - HA ILE 48 # SUP 1.68 HN SER 27 - HB3 SER 69 # SUP 0.25 HN SER 27 - HA1 GLY 30 # SUP 0.19 Upper HA ASN 89 - HN GLY 92 3.16 7 1.31 3.03 + * ++ + ++ # peak 1017 # SUP 2.49 HA VAL 73 - HN GLY 92 # SUP 0.89 HA GLU- 18 - HN GLY 92 # SUP 0.41 HA GLU- 64 - HN GLY 92 # SUP 0.39 HA LYS+ 44 - HN GLY 92 # SUP 0.39 Upper HN THR 46 - HA ASN 89 4.39 12 1.61 2.73 + + ++++ *+ + ++ + # peak 1171 # SUP 2.11 HN THR 46 - HA ILE 48 # SUP 1.34 HN THR 46 - HD2 PRO 52 # SUP 0.48 Upper HB2 LEU 23 - HB3 GLU- 50 3.24 6 0.98 2.21 + ++* + + # peak 3477 # SUP 1.43 HB ILE 29 - HB ILE 48 # SUP 1.36 HB ILE 29 - HB3 GLU- 50 # SUP 1.17 HB2 LEU 23 - HB ILE 48 # SUP 0.79 HB2 LEU 23 - HB VAL 94 # SUP 0.36 HG3 ARG+ 84 - HA ASN 89 # SUP 2.67 HA LEU 23 - HG3 ARG+ 84 # SUP 0.49 HD3 ARG+ 53 - HG3 ARG+ 84 # SUP 0.10 HE3 LYS+ 63 - HG3 ARG+ 84 # SUP 0.08 Upper HB2 LEU 23 - HA ASP- 115 2.39 9 1.33 3.11 + + ++ * ++ ++ # peak 2391 # SUP 2.96 HB2 LEU 23 - HA PRO 116 # SUP 1.92 HB2 LEU 23 - HA LYS+ 113 # SUP 1.42 HB2 LEU 23 - HA ASN 89 # SUP 1.39 HB ILE 29 - HA ASN 89 # SUP 0.73 HG LEU 74 - HB3 MET 126 # SUP 1.37 HG LEU 90 - HB3 MET 126 # SUP 0.38 Upper HG12 ILE 19 - HA ASN 89 3.11 6 1.08 2.74 + * + ++ + # peak 2495 # SUP 2.95 HG12 ILE 19 - HB THR 95 # SUP 1.61 HG12 ILE 19 - HA LYS+ 44 # SUP 1.24 HG12 ILE 19 - HB3 SER 77 # SUP 0.16 HG12 ILE 19 - HA1 GLY 92 # SUP 0.16 HG12 ILE 19 - HD3 LYS+ 55 # SUP 0.75 HG12 ILE 19 - HB3 MET 97 # SUP 1.11 HG12 ILE 19 - HB VAL 99 # SUP 0.10 Upper HN ILE 48 - HB3 LEU 67 3.36 12 1.54 2.72 + ++ + + ++++ ++* # peak 3453 # SUP 2.23 HN ILE 48 - HG LEU 74 # SUP 1.19 HZ2 TRP 51 - HG LEU 90 # SUP 0.41 HG2 LYS+ 32 - HN GLY 58 # SUP 1.31 HG2 LYS+ 32 - HN SER 49 # SUP 1.26 HG2 LYS+ 32 - HN LYS+ 81 # SUP 0.72 HG2 LYS+ 32 - HN THR 106 # SUP 0.58 HG2 LYS+ 32 - HN ASP- 115 # SUP 0.52 HG2 LYS+ 32 - HN LEU 67 # SUP 0.11 Upper HN ILE 19 - HA ASN 89 3.47 6 1.17 3.91 *+ ++++ # peak 776 # SUP 1.88 HN ILE 19 - HD2 PRO 116 # SUP 0.47 HN ILE 19 - HA LYS+ 44 # SUP 0.49 HN ILE 19 - HB3 SER 88 # SUP 0.18 HN LYS+ 44 - HB VAL 80 # SUP 1.33 HN LYS+ 44 - HA1 GLY 58 # SUP 1.45 HN LYS+ 44 - HG2 GLU- 56 # SUP 0.75 HN LYS+ 44 - HG3 GLU- 75 # SUP 0.15 Upper HA2 GLY 26 - HA ASN 89 3.00 6 1.15 3.09 * + + + + + # peak 3461 # SUP 1.46 HA1 GLY 26 - HA ASN 89 # SUP 2.10 HA1 GLY 26 - HA ILE 48 # SUP 1.11 HA2 GLY 26 - HA ILE 48 # SUP 0.86 HG2 LYS+ 32 - HN LYS+ 55 # SUP 1.78 HN LYS+ 55 - QB ALA 103 # SUP 1.01 HG2 LYS+ 32 - HN LYS+ 63 # SUP 0.02 Upper HN LEU 43 - QD2 LEU 74 3.34 11 1.57 3.24 ++ ++ ++ *++++ # peak 691 # SUP 1.25 HN LEU 17 - HN PHE 34 # SUP 1.97 HN PHE 34 - HN MET 97 # SUP 1.00 Upper HG LEU 17 - QG2 ILE 29 2.89 7 1.21 2.71 +* + ++ + + # peak 279 # SUP 1.51 HG LEU 17 - HG12 ILE 29 # SUP 1.57 HG LEU 17 - HG LEU 74 # SUP 1.44 HN LEU 67 - HG LEU 74 # SUP 3.55 Upper HB ILE 68 - HG LEU 74 2.68 10 1.19 2.92 + ++ + +* + + + + # peak 1488 # SUP 2.16 HB ILE 68 - QG2 VAL 122 # SUP 0.55 HB ILE 68 - QG1 VAL 122 # SUP 0.56 HB ILE 68 - QD1 LEU 90 # SUP 0.13 HB ILE 68 - QG2 ILE 100 # SUP 0.12 HB3 LEU 90 - HB2 HIS+ 98 # SUP 1.18 HB ILE 19 - HB2 HIS+ 98 # SUP 1.37 HA1 GLY 58 - HB3 LEU 90 # SUP 0.40 HB ILE 19 - HA1 GLY 58 # SUP 1.09 HB ILE 19 - HG3 MET 97 # SUP 1.23 HB ILE 19 - HE3 LYS+ 60 # SUP 0.37 HB3 LEU 90 - HG3 MET 97 # SUP 0.16 Angle PHI LEU 17 229.00 273.00 13 8.10 25.84 ++ +++++++ +*++ Angle PSI LEU 17 116.00 146.00 11 13.09 54.28 ++++ + +*++ + + Angle PHI ILE 19 239.00 273.00 16 16.94 40.83 ++* ++++++ ++++ ++ + Angle PSI ILE 19 124.00 144.00 17 27.21 92.38 ++++ +++++ +++++++* Angle PHI LYS+ 20 204.00 242.00 14 16.19 46.70 + ++ +*++ + ++ ++++ Angle PSI LYS+ 20 128.00 162.00 16 29.05 66.04 + ++ +++ +++++++*++ Angle PHI PHE 21 237.00 261.00 15 30.35 77.82 +++++ +*+ + ++ ++++ Angle PSI PHE 21 106.00 132.00 18 38.78 94.42 ++++++++ +++*++++++ Angle PHI ARG+ 22 225.00 267.00 16 31.59 123.49 ++ + + + ++*++++++++ Angle PSI ARG+ 22 107.00 141.00 10 12.12 47.67 + + ++ * ++ +++ Angle PHI THR 24 276.00 298.00 12 7.83 22.80 + *++++ +++ +++ Angle PSI THR 24 313.00 345.00 11 9.20 47.94 +++ + * ++++ ++ Angle PHI ASP- 25 248.00 276.00 12 9.99 28.86 ++++ + ++++* ++ Angle PSI ASP- 25 359.00 25.00 13 14.34 46.77 + +*+++ + ++++++ Angle PHI ASP- 28 210.00 256.00 9 7.67 34.90 ++ +++ + * + + Angle PSI ASP- 28 127.00 157.00 15 16.39 62.32 + +++ +++ +++++ +*+ Angle PHI ILE 29 214.00 268.00 10 8.43 46.74 + ++ + + + ++*+ Angle PSI ILE 29 109.00 149.00 11 12.99 34.71 + * + +++ +++ ++ Angle PSI PRO 31 128.00 150.00 17 16.39 56.52 ++++*+++++++ + ++++ Angle PHI LYS+ 32 205.00 253.00 8 8.65 43.84 + ++ ++ * + + Angle PSI LYS+ 32 137.00 157.00 17 23.13 49.78 ++ + +++*++ ++++++++ Angle PHI ALA 33 246.00 278.00 16 23.20 104.47 +++ ++ ++*++++ ++++ Angle PSI ALA 33 120.00 148.00 16 17.45 60.71 +*++ ++ +++++++ +++ Angle PHI PHE 34 222.00 260.00 9 10.18 59.86 +++ * + + ++ + Angle PSI PHE 34 116.00 164.00 9 10.36 37.61 + ++ ++ *+++ Angle PSI PRO 35 119.00 149.00 9 6.96 22.57 + * +++ +++ + Angle PHI THR 38 261.00 293.00 13 7.01 18.08 ++++ + ++++ +++* Angle PSI THR 38 113.00 153.00 11 6.17 18.07 ++ ++ ++ ++ * ++ Angle PHI VAL 40 282.00 302.00 11 5.07 13.48 + *++ ++ + ++++ Angle PSI VAL 40 319.00 339.00 10 7.22 20.49 + +++ ++ + + *+ Angle PHI SER 41 281.00 301.00 13 9.45 28.95 ++ +++++ ++ + ++* Angle PSI SER 41 309.00 329.00 16 10.36 21.82 ++++ +*+++ + +++++ + Angle PHI ALA 42 282.00 302.00 8 7.05 25.85 ++* ++ + ++ Angle PSI ALA 42 314.00 334.00 12 13.71 88.29 + ++ +*+ + +++++ Angle PHI LEU 43 283.00 303.00 12 7.21 18.22 ++++ + + ++* +++ Angle PSI LEU 43 314.00 338.00 15 23.99 83.99 +++*++++ ++ +++++ Angle PHI LYS+ 44 263.00 301.00 12 12.90 55.07 + ++++ * ++ + +++ Angle PSI LYS+ 44 314.00 10.00 16 33.30 91.48 *+++ + +++++++ +++ + Angle PHI GLU- 45 283.00 303.00 14 22.02 60.97 ++++ +++ +++ + ++* Angle PSI GLU- 45 311.00 337.00 16 28.05 72.52 ++ *++ ++++ + ++++++ Angle PHI THR 46 286.00 306.00 11 19.89 99.39 *+ ++++ + + ++ + Angle PSI THR 46 307.00 333.00 9 11.27 56.48 +++ ++ * + ++ Angle PHI VAL 47 286.00 306.00 13 10.81 36.56 + +++++ + + +++ +* Angle PSI VAL 47 304.00 324.00 8 5.88 24.06 + ++++* + + Angle PHI ILE 48 291.00 311.00 19 15.20 35.45 ++ ++*++++++++++++++ Angle PSI ILE 48 308.00 328.00 8 5.49 28.78 + ++ *++ + + Angle PHI TRP 51 251.00 281.00 14 13.53 33.83 ++++++ + +++ + *++ Angle PSI TRP 51 110.00 138.00 6 6.35 37.32 * + + + ++ Angle PHI ARG+ 53 285.00 305.00 12 10.30 36.13 +* + + ++ + +++++ Angle PSI ARG+ 53 314.00 334.00 14 23.11 78.86 ++ ++++*+++++ ++ Angle PHI GLU- 54 256.00 286.00 16 20.22 46.41 + ++ +++++++*++ +++ Angle PSI GLU- 54 331.00 13.00 7 5.13 28.60 ++ + ++ + * Angle PHI THR 61 232.00 276.00 17 21.94 52.28 ++++ ++++++++*+++ + Angle PSI THR 61 147.00 175.00 13 11.71 28.23 ++++* +++ +++ + + Angle PHI VAL 62 289.00 309.00 9 4.89 13.49 + + + ++ * ++ + Angle PSI VAL 62 316.00 336.00 15 14.58 31.06 + ++ +++ ++ ++++*++ Angle PHI VAL 65 225.00 259.00 15 10.73 30.26 +++++++ ++++ *+ ++ Angle PSI VAL 65 92.00 130.00 16 18.46 51.51 ++++++ ++++ ++ *+++ Angle PHI LYS+ 66 235.00 281.00 15 15.40 40.86 ++++++ * + ++++++ + Angle PSI LYS+ 66 118.00 152.00 14 14.21 35.07 ++++* + ++ ++ ++ ++ Angle PHI LEU 67 223.00 259.00 14 18.16 52.99 +++*+ ++++ ++++ + Angle PSI LEU 67 135.00 155.00 17 24.42 50.13 +*++++++++ ++++ +++ Angle PHI ILE 68 227.00 253.00 17 33.44 98.39 +++++++++++++* +++ Angle PSI ILE 68 110.00 146.00 11 12.39 51.61 + +++*+ ++ + ++ Angle PHI SER 69 218.00 274.00 11 13.31 43.79 ++ ++ ++ +* + ++ Angle PSI SER 69 110.00 134.00 17 15.73 66.51 ++++*+++ +++++++ + + Angle PHI LYS+ 72 235.00 261.00 11 9.44 34.50 +++ ++ + +* +++ Angle PSI LYS+ 72 116.00 150.00 15 17.33 51.11 +*+ ++ +++++++ +++ Angle PHI VAL 73 244.00 278.00 13 11.90 30.96 + +++ ++++++* ++ Angle PSI VAL 73 107.00 137.00 9 8.90 34.48 ++ +* + + + ++ Angle PHI ASN 76 276.00 300.00 14 10.92 41.38 + + + + ++++ +++*++ Angle PSI ASN 76 320.00 344.00 7 4.55 21.10 + * ++++ + Angle PHI THR 79 222.00 272.00 12 6.69 14.23 +++ + ++*++ ++ + Angle PSI THR 79 148.00 174.00 18 22.27 42.57 ++++++*+++ ++++++++ Angle PHI VAL 80 284.00 304.00 11 6.45 19.58 ++ *+ ++ ++ ++ + Angle PSI VAL 80 313.00 333.00 12 7.51 33.78 + *+ + + +++ + +++ Angle PHI LYS+ 81 287.00 307.00 8 6.73 25.37 ++++ ++ *+ Angle PSI LYS+ 81 309.00 331.00 10 5.65 18.26 + + +*++ +++ + Angle PHI ARG+ 84 239.00 303.00 11 7.85 23.22 ++ ++ + ++*+ ++ Angle PSI ARG+ 84 118.00 162.00 12 14.26 44.42 + + ++ ++++ + + * + Angle PHI SER 85 256.00 276.00 11 10.15 33.23 + ++ +++ +++*+ Angle PSI SER 85 113.00 153.00 8 9.88 40.53 + * +++ + + + Angle PHI LEU 90 254.00 298.00 14 16.78 45.63 + +++++ ++ ++ * + ++ Angle PSI LEU 90 119.00 151.00 20 41.65 64.45 +*++++++++++++++++++ Angle PHI GLY 92 77.00 97.00 9 8.24 32.06 + +++ *+ + + + Angle PSI GLY 92 349.00 11.00 11 10.09 38.53 +++ +++++ + +* Angle PHI ALA 93 251.00 297.00 17 20.00 54.07 ++*+++++++ ++++ +++ Angle PSI ALA 93 109.00 151.00 19 34.17 71.49 +++++++++++ *+++++++ Angle PHI VAL 94 245.00 279.00 14 15.51 51.09 + ++++ + +*+ +++ ++ Angle PSI VAL 94 119.00 147.00 12 18.93 73.54 + +++ + +++++ +* Angle PSI THR 95 113.00 139.00 13 19.13 66.71 ++ ++ + ++*+++ ++ Angle PHI THR 96 246.00 294.00 14 19.17 55.20 +++ + + ++*+ +++++ Angle PSI THR 96 116.00 146.00 19 36.92 101.25 +++++++*++ +++++++++ Angle PHI MET 97 248.00 292.00 17 23.38 48.29 +++ ++*+++++++++++ Angle PSI MET 97 120.00 166.00 16 16.78 61.83 ++ +++ +++ +++ ++++* Angle PHI HIS+ 98 248.00 288.00 12 11.02 34.74 ++ ++ ++ ++ ++ + * Angle PSI HIS+ 98 121.00 149.00 20 36.64 69.47 ++++++++++*+++++++++ Angle PHI VAL 99 242.00 268.00 20 29.71 52.98 ++++++++*+++++++++++ Angle PSI VAL 99 121.00 143.00 17 30.47 57.44 ++* ++++++ ++++++++ Angle PHI ILE 100 227.00 273.00 14 17.29 47.40 ++*+ +++ +++ ++++ Angle PSI ILE 100 113.00 143.00 17 33.93 94.60 ++ *++++++++++ ++++ Angle PHI ILE 101 252.00 274.00 20 35.09 75.71 ++++++++++++++*+++++ Angle PSI ILE 101 107.00 131.00 14 21.46 69.35 + + + +++++*++ ++ + Angle PHI GLN 102 231.00 287.00 12 15.51 53.32 +++ ++ +* +++++ Angle PSI GLN 102 122.00 152.00 12 10.70 31.94 ++++ ++ + *+ ++ + Angle PHI VAL 105 255.00 287.00 14 14.13 38.79 + + *+ +++++ +++++ Angle PSI VAL 105 109.00 151.00 12 9.16 39.75 + * + ++ + ++++++ Angle PSI THR 106 112.00 150.00 11 6.09 16.86 + +++ ++ *+ + ++ 33 violated distance constraints. 108 violated angle constraints. RMSDs for residues 20..108: Average backbone RMSD to mean : 6.25 +/- 1.34 A (4.21..9.46 A) Average heavy atom RMSD to mean : 6.93 +/- 1.42 A (4.76..10.23 A)