Structural statistics: str target upper limits van der Waals torsion angles function # sum max # sum max # sum max 1 368.43 27 249.2 2.72 265 138.9 0.78 71 1278.2 61.84 2 392.71 26 248.6 2.64 286 155.6 0.80 67 1487.0 76.27 3 403.53 24 249.4 3.02 262 144.8 0.93 67 1558.3 80.12 4 403.60 20 244.7 3.58 281 148.5 1.00 62 1466.9 72.63 5 411.15 33 266.0 2.64 266 146.1 0.94 67 1306.1 61.42 6 411.44 27 234.9 2.90 248 141.9 0.81 69 1652.3 78.04 7 417.49 26 235.7 3.04 321 171.8 1.24 62 1526.4 69.25 8 422.09 26 251.9 2.40 282 152.2 1.07 74 1578.3 56.87 9 422.72 26 230.2 3.11 309 167.9 0.97 66 1586.6 85.18 10 424.27 28 255.6 2.71 280 158.1 0.96 69 1640.7 72.14 11 427.61 29 258.9 3.31 295 161.5 0.93 58 1466.7 58.87 12 428.25 29 249.4 2.80 263 149.5 0.96 72 1723.1 64.62 13 431.00 29 264.7 3.14 266 146.1 0.91 68 1560.2 68.40 14 431.26 36 251.9 2.47 259 131.2 0.71 73 1730.9101.26 15 436.58 22 234.3 2.64 268 149.6 1.04 73 1975.0133.80 16 437.75 29 253.8 2.76 295 167.1 0.97 67 1504.4 60.17 17 438.65 25 257.9 2.49 309 172.3 1.13 72 1641.7 65.92 18 440.07 32 256.3 2.41 298 161.0 0.89 64 1591.0 78.44 19 440.73 30 255.7 4.16 269 148.7 1.16 70 1469.7 71.16 20 442.39 38 267.1 3.45 289 156.2 0.91 65 1320.8 73.28 Ave 421.59 28 250.8 2.92 281 153.4 0.95 68 1553.2 74.48 +/- 18.34 4 10.3 0.44 19 10.8 0.13 4 156.0 16.97 Min 368.43 20 230.2 2.40 248 131.2 0.71 58 1278.2 56.87 Max 442.39 38 267.1 4.16 321 172.3 1.24 74 1975.0133.80 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 HG3 GLU- 18 - HA PRO 104 3.39 9 1.18 2.53 + +++ + * + + + # peak 143 # SUP 0.68 HA1 GLY 58 - HA PRO 104 # SUP 1.49 HG3 GLU- 75 - HA PRO 104 # SUP 0.17 HB3 PRO 52 - HA PRO 104 # SUP 0.10 HB2 GLU- 50 - HA PRO 104 # SUP 0.10 HA PRO 104 - HG3 GLU- 107 # SUP 0.02 Upper HB VAL 99 - QG2 ILE 100 2.88 7 1.25 2.02 ++ + + + + * # peak 781 # SUP 0.94 HG3 ARG+ 84 - QG2 ILE 100 # SUP 0.02 HB3 MET 97 - QG2 ILE 100 # SUP 0.02 HB3 ARG+ 22 - QG2 ILE 100 # SUP 0.02 HD3 LYS+ 55 - QG2 ILE 100 # SUP 0.02 Upper HA ARG+ 53 - HB3 GLU- 54 3.02 17 1.79 2.40 +++ ++++ +++++++++ * # peak 938 # SUP 2.31 HA ARG+ 53 - HD3 LYS+ 63 # SUP 1.04 HB3 GLN 16 - HA ARG+ 53 # SUP 0.60 HA ARG+ 53 - HB3 GLN 102 # SUP 0.11 Upper HA GLU- 56 - HG3 GLU- 64 2.99 11 1.37 1.69 *++ + ++ ++ + ++ # peak 991 # SUP 0.85 HA SER 85 - HB2 PRO 86 # SUP 2.29 HA SER 85 - HB3 PRO 86 # SUP 3.70 HG3 GLU- 64 - HA GLU- 75 # SUP 0.14 HA GLU- 56 - HA1 GLY 58 # SUP 1.89 HG3 GLU- 64 - HA LYS+ 108 # SUP 0.15 HA ARG+ 84 - HB2 PRO 86 # SUP 0.45 HA GLU- 75 - HB2 PRO 86 # SUP 0.30 HA GLU- 56 - HB3 PRO 86 # SUP 0.88 HA1 GLY 58 - HA LYS+ 108 # SUP 0.51 HG3 GLU- 64 - HA SER 85 # SUP 0.02 HG3 GLU- 64 - HA ARG+ 84 # SUP 0.02 Upper HA ASN 89 - HA ALA 91 4.11 19 2.03 2.33 ++++++++++ *++++++++ # peak 1246 # SUP 1.66 HA ALA 91 - HA ALA 93 # SUP 0.10 HA LYS+ 44 - HA ALA 91 # SUP 0.02 HB3 SER 77 - HA ALA 91 # SUP 0.02 Upper QD1 ILE 101 - HA GLN 102 3.35 6 0.99 2.07 + + * + + + # peak 1262 # SUP 1.27 HA HIS+ 98 - QD1 ILE 101 # SUP 0.78 Upper HB3 LEU 67 - HG LEU 74 3.41 7 1.18 2.77 +*+++ + + # peak 1365 # SUP 4.82 HB3 LEU 67 - HB ILE 68 # SUP 2.36 Upper HA1 GLY 58 - HB2 PRO 104 3.72 7 1.52 2.38 + ++ ++* + # peak 1469 # SUP 1.85 HA1 GLY 58 - HB3 PRO 59 # SUP 0.36 Upper HA ASN 89 - HB3 MET 97 3.91 6 1.26 2.51 + * + + + + # peak 1912 # SUP 0.90 HA VAL 73 - HB3 MET 97 # SUP 0.71 HA LYS+ 66 - HB3 MET 97 # SUP 0.37 HB THR 24 - HB3 MET 97 # SUP 0.24 HB3 MET 97 - HA VAL 99 # SUP 0.37 Upper HA LYS+ 60 - HB THR 61 2.52 18 1.86 2.41 ++++++++*+++ ++++++ # peak 3343 # SUP 1.55 HA2 GLY 26 - HB THR 61 # SUP 0.17 HB THR 61 - HA VAL 73 # SUP 0.17 HA1 GLY 26 - HB THR 61 # SUP 0.02 Upper HG2 PRO 31 - HA ILE 68 4.26 6 1.11 2.41 + ++ *++ # peak 3432 # SUP 1.26 HG2 PRO 31 - HA PHE 34 # SUP 0.52 Upper HN MET 97 - HA HIS+ 98 3.67 8 1.39 2.40 ++ *++ ++ + # peak 71 # SUP 1.26 HA ALA 33 - HN MET 97 # SUP 0.88 Upper HN THR 96 - HB3 MET 97 4.52 7 1.33 2.32 +++ + + * + # peak 191 # SUP 1.57 HB2 LEU 67 - HN THR 96 # SUP 0.25 HB3 ARG+ 22 - HN THR 96 # SUP 0.02 Upper HB2 GLN 16 - HN GLU- 18 3.90 7 1.05 1.94 + + + + *+ + # peak 200 # SUP 2.38 HN GLU- 18 - HB3 GLU- 50 # SUP 0.52 HN GLU- 18 - HB ILE 48 # SUP 0.17 HB3 GLU- 50 - HN GLU- 107 # SUP 0.20 HN GLU- 10 - HB3 GLU- 50 # SUP 0.02 Upper HG3 PRO 31 - HN VAL 73 3.21 10 1.45 3.45 + ++ +++ + + +* # peak 218 # SUP 0.60 HB3 LYS+ 55 - HN VAL 73 # SUP 0.16 HN VAL 73 - HB2 GLU- 75 # SUP 0.15 HN VAL 73 - HG3 PRO 104 # SUP 0.47 HB ILE 29 - HN VAL 73 # SUP 0.18 HB VAL 13 - HN VAL 73 # SUP 0.02 Upper HN ILE 68 - HN HIS+ 98 4.28 6 1.23 2.41 + + + + * + # peak 460 # SUP 0.46 HN ILE 68 - HN ALA 70 # SUP 0.99 Upper HG3 GLN 16 - HN VAL 99 3.57 8 1.14 2.49 + + + + ++ + * # peak 536 # SUP 0.82 HG2 GLN 16 - HN VAL 99 # SUP 0.65 HN VAL 99 - HG2 GLN 102 # SUP 0.37 HN VAL 99 - HG2 PRO 104 # SUP 0.34 HA1 GLY 58 - HN VAL 99 # SUP 0.31 Upper QD1 ILE 19 - HA ASN 89 3.35 7 1.16 3.11 + + +* +++ # peak 445 # SUP 2.74 QD1 ILE 19 - HB THR 95 # SUP 1.74 QD1 ILE 19 - HA LYS+ 44 # SUP 0.93 QD1 ILE 68 - HA ASN 89 # SUP 2.57 QG2 VAL 13 - HA ASN 89 # SUP 1.53 QG2 VAL 13 - HB THR 38 # SUP 0.49 QG2 VAL 13 - HA LYS+ 44 # SUP 0.27 QG2 VAL 13 - HB3 SER 77 # SUP 0.32 Upper HG LEU 17 - QG2 ILE 29 2.86 7 1.01 1.95 * + ++ + ++ # peak 1112 # SUP 1.82 HG LEU 17 - HG12 ILE 29 # SUP 1.60 HG LEU 17 - HG LEU 74 # SUP 1.99 QD1 ILE 68 - HA ASN 89 # SUP 2.57 HA GLU- 64 - QD1 ILE 68 # SUP 0.24 HA LYS+ 44 - QD1 ILE 68 # SUP 0.02 QD1 ILE 68 - HA VAL 73 # SUP 0.02 Upper HA VAL 73 - HN LYS+ 81 2.77 6 1.23 2.96 + * + + ++ # peak 2138 # SUP 1.48 HA VAL 73 - HN VAL 94 # SUP 2.46 HA VAL 73 - HN VAL 105 # SUP 2.24 HN LEU 67 - HA VAL 73 # SUP 0.86 HA VAL 73 - HN THR 106 # SUP 1.48 HN SER 49 - HA VAL 73 # SUP 0.51 HN GLU- 45 - HA VAL 73 # SUP 1.12 HB2 GLN 16 - HN ALA 33 # SUP 0.96 HN ALA 11 - HB2 GLN 16 # SUP 0.19 HB2 GLN 16 - HN VAL 94 # SUP 0.25 HB2 GLN 16 - HN VAL 105 # SUP 0.17 Upper HN LEU 23 - HB3 GLU- 50 3.28 9 1.29 2.80 ++ + + * ++ ++ # peak 101 # SUP 0.70 HN LEU 23 - HB VAL 94 # SUP 0.40 HN LEU 23 - HB2 ARG+ 84 # SUP 0.34 HN LEU 23 - HB ILE 48 # SUP 0.47 HB2 GLN 16 - HN LEU 23 # SUP 0.18 QG1 VAL 47 - HE3 TRP 51 # SUP 0.61 QG2 VAL 47 - HE3 TRP 51 # SUP 1.11 QG1 VAL 47 - HN ASP- 82 # SUP 0.26 Upper HG13 ILE 19 - HB3 LYS+ 55 3.38 10 1.43 4.16 ++++ ++ ++ *+ # peak 1034 # SUP 0.88 HB2 LYS+ 20 - HB3 LYS+ 55 # SUP 0.97 HG3 LYS+ 20 - HB3 LYS+ 55 # SUP 1.02 HD3 LYS+ 20 - HB3 LYS+ 55 # SUP 1.35 HB3 LYS+ 55 - HG LEU 74 # SUP 0.39 HB3 LYS+ 20 - HB3 LYS+ 55 # SUP 0.13 HB3 LYS+ 55 - QB ALA 91 # SUP 0.09 HB2 LEU 17 - HB3 LYS+ 55 # SUP 0.25 HN GLY 26 - HA ASN 89 # SUP 2.03 HN GLY 26 - HA LYS+ 44 # SUP 0.45 HN GLY 26 - HB2 SER 49 # SUP 0.10 HN GLY 26 - HA ALA 70 # SUP 0.09 Upper HG13 ILE 19 - HA ASN 89 3.27 6 0.91 2.63 ++ + + * + # peak 1096 # SUP 3.12 HG13 ILE 19 - HA LYS+ 44 # SUP 0.68 HG13 ILE 19 - HB2 SER 88 # SUP 0.59 HA GLU- 18 - QG2 VAL 40 # SUP 1.32 HA GLU- 18 - QG2 ILE 101 # SUP 1.16 HA GLU- 18 - HG LEU 74 # SUP 1.52 HA GLU- 18 - QD1 ILE 68 # SUP 0.08 HA GLU- 18 - QG2 ILE 48 # SUP 0.08 Upper HB3 GLU- 18 - HA1 GLY 58 3.37 7 1.04 2.90 ++ +*+ + + # peak 2149 # SUP 1.14 HB3 LYS+ 44 - HA1 GLY 58 # SUP 1.04 HA1 GLY 58 - HB3 LYS+ 63 # SUP 0.56 HA1 GLY 58 - HB3 LYS+ 108 # SUP 0.51 HA1 GLY 58 - HB VAL 73 # SUP 0.19 HG2 PRO 31 - HA1 GLY 58 # SUP 0.30 HB3 GLU- 18 - HA2 GLY 58 # SUP 0.52 HB3 ARG+ 53 - HA1 GLY 58 # SUP 0.40 HA1 GLY 58 - HD3 LYS+ 72 # SUP 0.02 HB2 GLN 16 - QB ALA 33 # SUP 2.96 HB2 GLN 16 - HG LEU 74 # SUP 1.63 HB2 GLN 16 - HG3 LYS+ 32 # SUP 0.48 Angle PHI LEU 17 229.00 273.00 9 7.17 35.67 + +++* ++ + + Angle PSI LEU 17 116.00 146.00 14 14.69 54.02 ++*+ ++ + + ++++++ Angle PHI ILE 19 239.00 273.00 14 14.81 38.36 + +++++ + +++* + ++ Angle PSI ILE 19 124.00 144.00 15 19.52 65.92 ++++++ ++++ + ++* + Angle PHI LYS+ 20 204.00 242.00 17 23.49 70.15 +++ +++++*++++ ++++ Angle PSI LYS+ 20 128.00 162.00 17 28.75 76.27 +*++++ ++++++++ +++ Angle PHI PHE 21 237.00 261.00 14 22.81 69.41 +++ ++ + +++++++* Angle PSI PHE 21 106.00 132.00 20 28.10 73.28 +++++++++++++++++++* Angle PHI ARG+ 22 225.00 267.00 13 21.85 48.70 ++++ ++++*+ + + + Angle PSI ARG+ 22 107.00 141.00 10 13.08 58.87 + + + +*+ ++ + + Angle PHI THR 24 276.00 298.00 9 8.24 27.02 +++ * + + ++ + Angle PSI THR 24 313.00 345.00 8 5.68 21.78 + + +++ +*+ Angle PHI ASP- 25 248.00 276.00 8 4.94 19.75 + * ++++ ++ Angle PSI ASP- 25 359.00 25.00 9 8.60 33.02 + + + + +++ *+ Angle PHI ASP- 28 210.00 256.00 13 10.69 51.15 ++ + +++ + +++* ++ Angle PSI ASP- 28 127.00 157.00 8 6.93 34.67 + ++ +*+ ++ Angle PHI ILE 29 214.00 268.00 9 7.73 45.39 + + * + ++ + + + Angle PSI ILE 29 109.00 149.00 13 15.48 60.17 + ++++++ ++*++ + Angle PSI PRO 31 128.00 150.00 13 20.87 71.16 +++ +++ +++++ *+ Angle PHI LYS+ 32 205.00 253.00 8 10.77 45.15 +++ + ++* + Angle PSI LYS+ 32 137.00 157.00 10 11.79 50.97 ++ ++ *++ ++ + Angle PHI ALA 33 246.00 278.00 12 11.21 40.73 +++++ *++ + + ++ Angle PSI ALA 33 120.00 148.00 9 10.23 47.33 + + + + *+ + ++ Angle PSI PHE 34 116.00 164.00 15 18.69 61.92 + *+ +++++++ ++ +++ Angle PSI PRO 35 119.00 149.00 14 10.34 22.95 ++++ +*+++++++ + Angle PHI THR 38 261.00 293.00 11 6.65 16.79 + + + ++ ++ * +++ Angle PSI THR 38 113.00 153.00 10 6.38 19.57 + + +*+++ + ++ Angle PHI VAL 40 282.00 302.00 7 3.57 10.57 + +++ + + * Angle PSI VAL 40 319.00 339.00 10 6.31 13.45 + + + ++ + +*++ Angle PHI SER 41 281.00 301.00 13 10.31 30.88 +++ +++ + ++ ++ * + Angle PSI SER 41 309.00 329.00 13 11.40 36.91 ++ ++* ++ + + ++++ Angle PHI ALA 42 282.00 302.00 10 10.12 41.69 ++++ + +++ +* Angle PSI ALA 42 314.00 334.00 9 8.04 35.73 + + *++ +++ + Angle PHI LEU 43 283.00 303.00 11 6.13 24.93 + + +++*++ ++ + Angle PSI LEU 43 314.00 338.00 13 17.48 82.24 ++ ++++++ * ++++ Angle PHI LYS+ 44 263.00 301.00 11 14.73 80.19 ++ + +++++++* Angle PSI LYS+ 44 314.00 10.00 13 24.29 59.71 +++ +++ ++ +*++ + Angle PHI GLU- 45 283.00 303.00 15 18.60 67.74 +++ + + ++ *+++++++ Angle PSI GLU- 45 311.00 337.00 16 29.22 69.72 ++++ + ++ +++*+++++ Angle PHI THR 46 286.00 306.00 15 18.56 72.63 +++* +++++ + +++ ++ Angle PSI THR 46 307.00 333.00 10 12.69 62.45 ++++ ++ +++ * Angle PHI VAL 47 286.00 306.00 11 12.21 62.77 + +++ + +++ +* + Angle PSI VAL 47 304.00 324.00 7 6.62 41.68 ++ ++ + * + Angle PHI ILE 48 291.00 311.00 15 13.15 40.57 ++++ +++ +*+++ +++ Angle PSI ILE 48 308.00 328.00 12 7.58 22.92 ++ + +*++++++ + Angle PHI TRP 51 251.00 281.00 12 12.31 32.51 ++ + + + ++ ++*++ Angle PSI TRP 51 110.00 138.00 12 10.52 43.70 +++ +++ + ++ *++ Angle PHI ARG+ 53 285.00 305.00 14 13.31 40.14 ++ ++ + *++++++++ Angle PSI ARG+ 53 314.00 334.00 15 19.49 42.94 +++++*+ ++ +++ ++ + Angle PHI GLU- 54 256.00 286.00 17 19.63 34.00 +++ ++++ +++++*++++ Angle PSI GLU- 54 331.00 13.00 7 3.92 21.36 +++*+ ++ Angle PHI THR 61 232.00 276.00 19 20.42 65.80 +++++++++ +++*++++++ Angle PSI THR 61 147.00 175.00 17 10.96 32.96 ++++*+++ +++ +++++ + Angle PHI VAL 62 289.00 309.00 14 9.83 31.53 ++ ++ *+ +++ +++++ Angle PSI VAL 62 316.00 336.00 12 7.15 38.26 +++++ ++ + * +++ Angle PHI VAL 65 225.00 259.00 7 6.49 33.65 + +* + ++ + Angle PSI VAL 65 92.00 130.00 14 17.82 43.49 + *+++++ + + ++ ++ + Angle PHI LYS+ 66 235.00 281.00 17 18.38 36.92 ++++++* +++++++ +++ Angle PSI LYS+ 66 118.00 152.00 13 14.69 68.40 ++ + ++++++ *+ + + Angle PHI LEU 67 223.00 259.00 14 15.39 36.74 ++++ ++* ++ ++++ + Angle PSI LEU 67 135.00 155.00 15 23.41 48.22 +++++ + +* ++++ +++ Angle PHI ILE 68 227.00 253.00 14 25.90 80.12 +* ++++++ +++ +++ Angle PSI ILE 68 110.00 146.00 15 18.85 50.61 + ++ +++ *++++++++ Angle PHI SER 69 218.00 274.00 12 11.79 56.65 + + + +++++ +*++ Angle PSI SER 69 110.00 134.00 19 25.30 45.40 +++++++*++++ +++++++ Angle PHI LYS+ 72 235.00 261.00 10 10.15 48.22 ++++++ +++ * Angle PSI LYS+ 72 116.00 150.00 11 16.46 65.79 +++ ++ * ++ ++ + Angle PHI VAL 73 244.00 278.00 11 11.66 53.48 + +++ + * +++ ++ Angle PSI VAL 73 107.00 137.00 16 11.64 26.97 +++ +*+++ +++ ++++ + Angle PHI ASN 76 276.00 300.00 10 6.09 16.49 + ++++ + + *+ + Angle PSI ASN 76 320.00 344.00 8 7.22 30.51 +++ * + + ++ Angle PHI THR 79 222.00 272.00 10 5.79 18.94 + + ++ + + +* ++ Angle PSI THR 79 148.00 174.00 13 14.79 45.88 ++ + +*++++++++ Angle PHI VAL 80 284.00 304.00 8 8.53 32.58 + + ++ * +++ Angle PSI VAL 80 313.00 333.00 8 4.81 15.09 ++ + * ++ ++ Angle PHI LYS+ 81 287.00 307.00 13 7.30 22.02 + + ++++++++ *++ Angle PSI LYS+ 81 309.00 331.00 11 6.15 16.03 + + *+ ++++ + ++ Angle PSI ARG+ 84 118.00 162.00 16 13.55 31.56 ++ +++++ + +++*+ +++ Angle PHI SER 85 256.00 276.00 8 7.27 31.14 +++ + ++ * + Angle PSI SER 85 113.00 153.00 8 5.47 22.88 +* +++ + + + Angle PHI LEU 90 254.00 298.00 15 11.72 30.55 ++ +++ ++ + + +++*++ Angle PSI LEU 90 119.00 151.00 11 11.92 44.03 + *++ + ++ ++++ Angle PHI GLY 92 77.00 97.00 16 10.28 21.57 + ++++++ ++ ++++*++ Angle PSI GLY 92 349.00 11.00 8 4.54 12.89 *+ + + + + + + Angle PHI ALA 93 251.00 297.00 16 16.37 40.35 +*++++ ++++ +++ + ++ Angle PSI ALA 93 109.00 151.00 17 29.25 78.44 + ++++ ++++++++++*+ Angle PHI VAL 94 245.00 279.00 11 17.89 59.06 ++ ++ ++ * ++ ++ Angle PSI VAL 94 119.00 147.00 9 8.59 27.79 +* + + ++ + + + Angle PHI THR 95 219.00 273.00 9 6.96 24.10 * ++ ++ ++++ Angle PSI THR 95 113.00 139.00 16 23.13 73.77 ++++ *+++ ++++++ ++ Angle PHI THR 96 246.00 294.00 16 22.00 55.82 ++* +++++++ +++ + ++ Angle PSI THR 96 116.00 146.00 17 30.69 101.26 ++++ + +++ ++*++++++ Angle PHI MET 97 248.00 292.00 14 19.82 69.19 + ++++*++ + ++ +++ Angle PSI MET 97 120.00 166.00 17 27.85 80.36 +++++++++ +++ *+++ + Angle PHI HIS+ 98 248.00 288.00 12 12.16 33.31 +++ + + * + + ++++ Angle PSI HIS+ 98 121.00 149.00 18 34.27 63.18 ++++++++++++++ *+++ Angle PHI VAL 99 242.00 268.00 15 18.78 50.54 ++++++ + + ++ ++++* Angle PSI VAL 99 121.00 143.00 18 32.61 65.10 + ++++++*++++++++++ Angle PHI ILE 100 227.00 273.00 17 31.00 69.04 ++ + *+++++++++++ ++ Angle PSI ILE 100 113.00 143.00 17 29.68 133.80 ++++ + ++++++*+++++ Angle PHI ILE 101 252.00 274.00 18 36.11 78.04 +++++* + +++++++++++ Angle PSI ILE 101 107.00 131.00 17 23.63 44.87 ++ +++ ++*+++++++++ Angle PHI GLN 102 231.00 287.00 13 13.78 44.81 + + +++ +++++ *++ Angle PSI GLN 102 122.00 152.00 9 7.31 27.04 +* + ++ + + ++ Angle PSI VAL 105 109.00 151.00 7 4.78 27.31 ++ + + * ++ Angle PHI THR 106 251.00 289.00 8 6.63 27.15 * +++ + + ++ Angle PSI THR 106 112.00 150.00 8 5.19 16.83 + + ++ + + +* 24 violated distance constraints. 107 violated angle constraints. RMSDs for residues 20..108: Average backbone RMSD to mean : 8.46 +/- 1.18 A (6.12..11.01 A) Average heavy atom RMSD to mean : 9.15 +/- 1.12 A (6.75..11.84 A)