Structural statistics: str target upper limits van der Waals torsion angles function # sum max # sum max # sum max 1 439.85 27 260.6 3.10 285 154.0 0.93 81 1852.2 91.50 2 456.82 34 284.3 2.87 352 182.6 1.05 75 1505.2 59.82 3 460.88 29 244.4 2.89 357 186.1 1.30 70 1534.1106.09 4 469.42 34 276.7 2.89 331 180.1 1.04 63 1501.5 82.46 5 470.19 29 286.0 2.62 328 178.4 0.98 67 1372.8 70.83 6 480.57 30 296.1 3.16 307 172.4 0.93 82 1638.4 59.42 7 483.36 28 251.0 2.86 324 176.0 1.35 74 1949.9 87.31 8 486.84 31 259.8 3.62 326 185.7 1.07 75 1634.0 58.33 9 491.59 31 259.7 4.12 351 188.9 1.11 70 1788.4 73.69 10 510.34 32 292.3 2.76 320 174.9 1.13 67 1659.2117.73 11 521.87 33 273.8 2.93 368 192.8 1.19 79 1952.0 70.30 12 521.94 39 289.6 3.62 278 151.1 0.86 79 2118.8 87.56 13 522.14 40 293.8 4.40 335 179.4 1.01 63 1485.3 75.97 14 523.64 34 281.2 2.72 337 183.3 1.21 65 1695.7117.13 15 525.78 40 296.5 2.97 338 182.6 0.86 73 1897.2 98.05 16 528.53 36 302.2 2.61 349 189.0 0.98 77 1825.0114.11 17 532.40 34 277.1 4.11 375 194.2 1.04 76 1971.2 73.33 18 532.64 36 265.1 3.05 406 220.2 1.38 74 1532.1 65.72 19 535.40 42 299.7 2.81 366 190.3 1.06 78 1702.6 77.19 20 537.01 38 299.2 3.39 352 199.4 1.20 66 1579.7 74.34 Ave 501.56 34 279.5 3.17 339 183.1 1.08 73 1709.8 83.04 +/- 30.02 4 17.1 0.52 29 14.4 0.15 6 196.1 18.52 Min 439.85 27 244.4 2.61 278 151.1 0.86 63 1372.8 58.33 Max 537.01 42 302.2 4.40 406 220.2 1.38 82 2118.8117.73 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 HA VAL 73 - HB3 PRO 104 3.10 9 1.41 3.05 + + + + + +++ * # 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 HA ASN 89 - QB ALA 91 2.93 8 1.41 2.77 + +* ++ +++ # peak 679 # SUP 2.65 HA PRO 59 - QB ALA 91 # SUP 0.02 Upper HB3 LYS+ 20 - HA SER 88 3.93 10 1.26 2.68 + + ++++++ + * # 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 0.53 HD3 LYS+ 20 - HA SER 88 # SUP 0.68 Upper HA ARG+ 53 - HB3 GLU- 54 3.03 14 1.62 2.43 +++*+ + + ++++ +++ # 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 14 1.31 1.84 ++++ +++ +++*++ + # 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 19 2.39 3.16 +++++*+++++ ++++++++ # peak 1245 # SUP 1.74 HA LYS+ 63 - HA ALA 91 # SUP 0.02 Upper HA ASN 89 - HA ALA 91 4.12 9 1.48 1.99 +++ +* ++++ # peak 1246 # SUP 1.74 HA ALA 91 - HA ALA 93 # SUP 0.45 Upper HB ILE 19 - HN MET 97 3.76 8 1.05 2.47 + + ++ ++ *+ # peak 1513 # SUP 3.03 HN LEU 17 - HB ILE 19 # SUP 2.79 HB ILE 19 - HN THR 96 # SUP 2.63 HB ILE 19 - HN ARG+ 22 # SUP 0.65 HB ILE 19 - HN PHE 21 # SUP 0.78 Upper HA LYS+ 60 - HB THR 61 2.52 13 1.72 3.10 *++++ ++++ + + ++ # 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 QD PHE 21 - HB3 ARG+ 22 3.50 7 0.83 2.19 *++ ++ + + # peak 302 # SUP 2.50 QD PHE 21 - HB3 MET 126 # SUP 0.70 QD PHE 21 - HG3 ARG+ 84 # SUP 0.39 QD PHE 21 - HB3 MET 97 # SUP 0.37 Upper HN MET 97 - HA HIS+ 98 3.66 8 1.31 1.99 + + + * + ++ + # peak 71 # SUP 1.26 HA ALA 33 - HN MET 97 # SUP 0.53 Upper HN TRP 51 - HD2 PRO 52 3.24 7 1.21 1.78 ++ + + ++ * # peak 170 # SUP 2.78 HN TRP 51 - HA ASN 89 # SUP 2.19 HA ILE 48 - HN TRP 51 # SUP 1.43 HN TRP 51 - HA LYS+ 81 # SUP 0.37 Upper HG3 PRO 31 - HN VAL 73 3.20 8 1.44 4.11 + + ++ +* ++ # 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 6 1.12 2.12 * + ++++ # peak 291 # SUP 1.84 HA LEU 90 - HN ALA 93 # SUP 1.27 HA VAL 73 - HN ALA 93 # SUP 0.44 Upper HA ASN 89 - HN VAL 94 2.81 6 1.19 3.03 + * + + ++ # peak 507 # SUP 1.81 HA VAL 73 - HN VAL 94 # SUP 2.04 HD3 PRO 59 - HN VAL 94 # SUP 0.99 HA ALA 91 - HN VAL 94 # SUP 0.78 HA LEU 90 - HN VAL 94 # SUP 0.69 HA SER 85 - HN VAL 94 # SUP 0.27 HA ARG+ 84 - HN VAL 94 # SUP 0.26 HA GLU- 75 - HN VAL 94 # SUP 0.25 HN VAL 94 - HA2 GLY 114 # SUP 0.32 HA PRO 59 - HN VAL 94 # SUP 0.61 Upper HA ASN 76 - HN VAL 80 3.50 8 1.22 2.10 + + *+ + ++ + # 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 8 1.45 2.97 + + + + + * + + # 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 11 1.65 3.62 + + +++ * + ++++ # 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 8 1.24 2.48 +++ +*+ + + # 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 HA ASN 89 - HN GLY 92 4.78 7 1.10 2.06 * + ++ +++ # peak 1023 # SUP 2.49 HN GLY 92 - HA ASP- 115 # SUP 0.50 HN GLY 92 - HA PRO 116 # SUP 0.02 HN GLY 92 - HA LYS+ 113 # SUP 0.02 Upper HN THR 46 - HA ASN 89 4.39 15 1.86 2.86 ++++++*+ + ++ ++++ # peak 1171 # SUP 2.11 HN THR 46 - HA ILE 48 # SUP 1.34 HN THR 46 - HD2 PRO 52 # SUP 0.48 Upper QD2 LEU 23 - HA ASP- 115 2.67 6 1.05 2.76 + ++ + + * # peak 1114 # 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 QD1 ILE 19 - HD3 LYS+ 55 # SUP 0.75 QD1 ILE 19 - HB3 MET 97 # SUP 1.46 Upper HN ILE 48 - HB3 LEU 67 3.23 11 1.38 2.86 +*+ + ++ + + +++ # peak 2723 # SUP 2.23 HN ILE 48 - HG LEU 74 # SUP 1.19 HZ2 TRP 51 - HG LEU 90 # SUP 0.41 HA1 GLY 58 - QB ALA 103 # SUP 1.25 HG2 LYS+ 32 - HA1 GLY 58 # SUP 0.63 HG2 LYS+ 32 - HB2 HIS+ 98 # SUP 0.02 Upper QD1 ILE 48 - HB3 LEU 67 2.77 6 0.88 1.99 ++ * + + + # peak 1112 # SUP 2.95 QD1 ILE 48 - HG LEU 74 # SUP 1.65 QD1 ILE 48 - QB ALA 70 # SUP 0.17 QD1 ILE 68 - HA ASN 89 # SUP 2.49 QD1 ILE 68 - HA MET 126 # SUP 0.24 HA LYS+ 44 - QD1 ILE 68 # SUP 0.02 QD1 ILE 68 - HA VAL 73 # SUP 0.02 Upper HN ILE 19 - HA ASN 89 3.49 8 1.31 2.87 +* + + + + ++ # peak 134 # 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 ARG+ 22 - HB ILE 68 # SUP 1.85 HN ARG+ 22 - HG LEU 74 # SUP 0.59 Upper HG13 ILE 19 - HA ASN 89 3.98 8 1.28 2.28 ++ + + * +++ # peak 21 # SUP 3.47 HG13 ILE 19 - HA LYS+ 44 # SUP 0.95 HG13 ILE 19 - HB2 SER 88 # SUP 0.62 HN LEU 23 - HB3 GLU- 50 # SUP 0.77 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 0.57 Upper HN LEU 43 - QD2 LEU 74 3.25 9 1.34 4.12 + ++++* +++ # peak 1091 # SUP 1.25 HA GLU- 18 - HA1 GLY 58 # SUP 0.86 HA GLU- 18 - HB2 HIS+ 98 # SUP 0.22 HA LYS+ 44 - HA1 GLY 58 # SUP 2.14 Upper QD1 LEU 74 - HN CYS 121 2.87 6 1.11 2.27 + * + + ++ # peak 1510 # SUP 2.50 QD1 LEU 74 - HN VAL 122 # SUP 2.77 QD1 LEU 74 - HN LYS+ 110 # SUP 0.40 HG3 LYS+ 20 - HE3 LYS+ 60 # SUP 1.05 HG3 ARG+ 22 - HE3 LYS+ 60 # SUP 0.50 HB3 LYS+ 20 - HE3 LYS+ 60 # SUP 0.63 HB2 LYS+ 20 - HE3 LYS+ 60 # SUP 1.03 HG13 ILE 19 - HE3 LYS+ 60 # SUP 0.37 HE3 LYS+ 60 - HG LEU 74 # SUP 0.10 Upper QG1 VAL 47 - HE3 TRP 51 3.05 7 1.23 2.93 + *++ +++ # peak 1748 # SUP 1.56 QG2 VAL 47 - HE3 TRP 51 # SUP 1.43 HE3 TRP 51 - QG2 VAL 87 # SUP 0.14 HE3 TRP 51 - QG1 VAL 80 # SUP 0.09 HG LEU 74 - HB ILE 100 # SUP 2.62 Upper HG LEU 74 - HN VAL 122 3.78 7 1.15 3.14 + * ++ + ++ # peak 3489 # 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 0.61 HB ILE 68 - HN CYS 121 # SUP 0.55 HG13 ILE 19 - HN ILE 68 # SUP 2.63 Angle PHI LEU 17 229.00 273.00 11 7.60 29.79 + ++ +* ++++++ Angle PSI LEU 17 116.00 146.00 12 15.21 57.47 + + + *+++ ++++ + Angle PHI ILE 19 239.00 273.00 9 10.60 42.03 + ++ * +++ + + Angle PSI ILE 19 124.00 144.00 15 17.22 58.70 + + ++++++++ ++++ * Angle PHI LYS+ 20 204.00 242.00 12 18.27 91.50 *+ +++ ++++ + ++ Angle PSI LYS+ 20 128.00 162.00 13 16.90 63.38 + + ++++ ++ *++++ Angle PHI PHE 21 237.00 261.00 14 24.25 65.65 + + +++++++ +++ *+ Angle PSI PHE 21 106.00 132.00 18 28.12 83.48 ++++++*+++++ ++++++ Angle PHI ARG+ 22 225.00 267.00 18 33.06 77.19 ++++ ++++ ++++++++*+ Angle PSI ARG+ 22 107.00 141.00 9 8.36 39.27 ++ ++ + + * + + Angle PHI THR 24 276.00 298.00 11 9.26 31.83 *+ ++ + ++++++ Angle PSI THR 24 313.00 345.00 6 5.87 27.46 + ++ * + + Angle PHI ASP- 25 248.00 276.00 6 4.63 28.07 + + + *+ + Angle PSI ASP- 25 359.00 25.00 12 7.05 18.90 + +*++++ + ++ ++ Angle PHI ASP- 28 210.00 256.00 12 9.00 22.89 ++ ++ * + ++ + +++ Angle PSI ASP- 28 127.00 157.00 14 13.15 73.33 ++++ ++ + + +++ * ++ Angle PHI ILE 29 214.00 268.00 16 17.35 68.31 +++ +++++++ *+++ ++ Angle PSI ILE 29 109.00 149.00 11 12.57 54.59 + + ++ ++++* + + Angle PSI PRO 31 128.00 150.00 14 16.49 51.15 ++ + *++++++ ++++ Angle PHI LYS+ 32 205.00 253.00 14 12.46 30.50 + ++*++++++++ ++ Angle PSI LYS+ 32 137.00 157.00 16 21.99 49.31 +++++ +++*+ ++++++ Angle PHI ALA 33 246.00 278.00 18 19.30 34.56 *+++++++ +++++++++ + Angle PSI ALA 33 120.00 148.00 14 10.82 25.42 + ++ * + +++++++++ Angle PSI PHE 34 116.00 164.00 16 15.83 31.97 +++ ++++++++ +++ +* Angle PSI PRO 35 119.00 149.00 10 7.76 21.30 *++ + +++ + + + Angle PHI THR 38 261.00 293.00 10 6.62 29.61 +*+ + + ++ ++ + Angle PSI THR 38 113.00 153.00 12 6.75 21.47 ++ + + +++* + +++ Angle PHI VAL 40 282.00 302.00 8 6.09 26.36 +*+ + ++ ++ Angle PSI VAL 40 319.00 339.00 10 6.70 35.58 + +++++ *+ ++ Angle PHI SER 41 281.00 301.00 11 11.47 40.05 +++ ++ ++ ++* + Angle PSI SER 41 309.00 329.00 16 13.34 41.46 ++ + +++++++* +++ ++ Angle PHI ALA 42 282.00 302.00 12 12.40 74.05 ++ + + + ++++ ++* Angle PSI ALA 42 314.00 334.00 14 15.28 74.34 + +++ +++ + +++++* Angle PHI LEU 43 283.00 303.00 13 12.94 34.66 *+ +++ ++ ++++ + + Angle PSI LEU 43 314.00 338.00 11 18.81 117.73 + + + ++ *+++ + + Angle PHI LYS+ 44 263.00 301.00 10 11.50 50.29 ++ + + + ++* ++ Angle PSI LYS+ 44 314.00 10.00 17 30.14 57.83 +++ +++++++*+ +++++ Angle PHI GLU- 45 283.00 303.00 16 24.88 62.01 ++++++ ++ +*+++++ + Angle PSI GLU- 45 311.00 337.00 16 23.65 57.05 + ++ +++++*++ +++++ Angle PHI THR 46 286.00 306.00 17 28.19 106.94 + + +++++*+++++++++ Angle PSI THR 46 307.00 333.00 14 15.42 55.46 +++++ +++++* +++ Angle PHI VAL 47 286.00 306.00 13 19.98 66.70 + +++ ++ ++ * +++ + Angle PSI VAL 47 304.00 324.00 9 8.64 46.95 + + + + +* + + + Angle PHI ILE 48 291.00 311.00 12 19.77 60.21 ++ + + ++*+ +++ + Angle PSI ILE 48 308.00 328.00 13 8.98 26.00 + +++++ ++ ++ +*+ Angle PHI TRP 51 251.00 281.00 12 7.80 36.87 +++++ ++ *+ +++ Angle PSI TRP 51 110.00 138.00 15 14.85 40.68 + + +++*++++++ +++ Angle PHI ARG+ 53 285.00 305.00 12 5.99 15.05 *+ +++++ +++++ Angle PSI ARG+ 53 314.00 334.00 17 25.10 60.90 +++ +*++++++++ ++++ Angle PHI GLU- 54 256.00 286.00 17 24.37 48.98 ++++ ++++*++++++ ++ Angle PSI GLU- 54 331.00 13.00 9 5.58 20.58 ++ ++ +++ * + Angle PHI THR 61 232.00 276.00 15 22.76 45.84 ++* ++++++ ++ + +++ Angle PSI THR 61 147.00 175.00 14 11.90 37.54 +++ +++++ +++ *+ + Angle PHI VAL 62 289.00 309.00 7 6.55 17.74 ++ ++ + * + Angle PSI VAL 62 316.00 336.00 14 8.55 20.75 ++++ ++++++ ++ + * Angle PHI VAL 65 225.00 259.00 13 10.51 25.64 +*+ + ++ ++ + ++++ Angle PSI VAL 65 92.00 130.00 17 21.84 44.94 +++++++++++ ++* +++ Angle PHI LYS+ 66 235.00 281.00 16 17.21 42.44 ++++ ++ +++ ++*++++ Angle PSI LYS+ 66 118.00 152.00 11 9.79 25.41 +* + +++ ++ +++ Angle PHI LEU 67 223.00 259.00 12 14.25 53.43 ++++ + * ++ + +++ Angle PSI LEU 67 135.00 155.00 20 29.69 65.32 +++*++++++++++++++++ Angle PHI ILE 68 227.00 253.00 20 32.06 77.16 ++++++*+++++++++++++ Angle PSI ILE 68 110.00 146.00 11 12.04 42.05 + ++++ + *+ ++ + Angle PHI SER 69 218.00 274.00 13 14.79 40.91 +++++ ++ +*++ + + Angle PSI SER 69 110.00 134.00 14 8.77 21.01 + + + +++++++*+++ Angle PHI LYS+ 72 235.00 261.00 8 6.39 28.61 + + +*+ + ++ Angle PSI LYS+ 72 116.00 150.00 12 15.22 62.86 + + +++++ ++ ++* Angle PHI VAL 73 244.00 278.00 10 9.93 40.91 ++ * + ++ + +++ Angle PSI VAL 73 107.00 137.00 12 9.95 39.75 ++ ++ ++ * ++ + ++ Angle PHI ASN 76 276.00 300.00 11 8.59 35.24 +++++ + + ++* + Angle PSI ASN 76 320.00 344.00 10 5.83 22.91 + + +++ + +*++ Angle PHI THR 79 222.00 272.00 8 4.53 11.32 ++ + + ++ *+ Angle PSI THR 79 148.00 174.00 17 22.16 62.18 ++++ +++++++ ++*+++ Angle PHI VAL 80 284.00 304.00 10 7.33 33.28 ++ + + +++ * ++ Angle PSI VAL 80 313.00 333.00 9 6.59 25.86 + + + + + +*+ + Angle PHI LYS+ 81 287.00 307.00 8 5.84 19.01 ++ + * ++ + + Angle PSI LYS+ 81 309.00 331.00 8 4.84 18.31 * ++ + ++ ++ Angle PHI ARG+ 84 239.00 303.00 8 3.75 13.28 + ++ + *+++ Angle PSI ARG+ 84 118.00 162.00 13 10.52 44.16 * + +++ +++++ + ++ Angle PHI SER 85 256.00 276.00 14 16.19 37.59 + ++++* + ++++ ++ + Angle PSI SER 85 113.00 153.00 12 17.12 78.77 * + ++ + ++ +++ ++ Angle PHI LEU 90 254.00 298.00 16 16.47 33.44 ++++++++ ++ ++ + ++* Angle PSI LEU 90 119.00 151.00 19 38.08 61.31 ++++++++++ ++++++*++ Angle PHI GLY 92 77.00 97.00 13 12.10 36.39 + ++ +++ +++*++ + Angle PSI GLY 92 349.00 11.00 14 17.29 55.84 + + ++ + ++++++ ++* Angle PHI ALA 93 251.00 297.00 17 26.02 70.30 + ++++++*+++++++++ Angle PSI ALA 93 109.00 151.00 18 34.70 106.09 ++*+++ +++++++ +++++ Angle PHI VAL 94 245.00 279.00 9 9.55 42.59 +++++* + ++ Angle PSI VAL 94 119.00 147.00 15 19.90 114.11 +++ ++ + + +++*++++ Angle PHI THR 95 219.00 273.00 7 5.94 24.33 + * + + +++ Angle PSI THR 95 113.00 139.00 17 33.34 68.58 ++++ + +* ++++++++++ Angle PHI THR 96 246.00 294.00 18 32.87 64.98 + ++++++++*++++++++ Angle PSI THR 96 116.00 146.00 19 34.04 62.72 ++*++++++++++++ ++++ Angle PHI MET 97 248.00 292.00 17 25.06 87.31 +++ ++*++++++ +++ ++ Angle PSI MET 97 120.00 166.00 17 20.63 70.67 +++++++++++++ * ++ + Angle PHI HIS+ 98 248.00 288.00 7 8.36 35.62 + + +* ++ + Angle PSI HIS+ 98 121.00 149.00 15 26.95 117.13 ++ ++++ ++ *++++++ Angle PHI VAL 99 242.00 268.00 16 26.05 60.60 +++ ++++*++++ ++ ++ Angle PSI VAL 99 121.00 143.00 19 19.33 48.51 ++++++ ++++++++++*++ Angle PHI ILE 100 227.00 273.00 16 25.80 87.56 ++++++++ +*+++++ + Angle PSI ILE 100 113.00 143.00 14 24.30 75.63 ++++++ + * ++++++ Angle PHI ILE 101 252.00 274.00 17 27.82 75.97 +++++ +++ +*+++++++ Angle PSI ILE 101 107.00 131.00 13 14.84 73.69 ++++ + *++++ +++ Angle PHI GLN 102 231.00 287.00 10 14.29 63.67 ++ + + +* ++ ++ Angle PSI GLN 102 122.00 152.00 12 12.08 54.45 + +++++ + + ++ +* Angle PHI VAL 105 255.00 287.00 16 17.15 65.72 ++++++++ +++ ++*++ Angle PSI VAL 105 109.00 151.00 9 7.02 20.25 +++ +++ + + * Angle PHI THR 106 251.00 289.00 8 5.43 29.70 ++ + ++* ++ Angle PSI THR 106 112.00 150.00 8 4.45 14.47 * ++ ++ +++ Angle PSI CYS 123 92.00 140.00 8 6.25 33.55 + ++++ + *+ Angle PHI SER 124 248.00 298.00 9 5.66 30.19 + +++ ++ + + * 30 violated distance constraints. 111 violated angle constraints. RMSDs for residues 20..108: Average backbone RMSD to mean : 6.71 +/- 1.16 A (5.16..9.55 A) Average heavy atom RMSD to mean : 7.30 +/- 1.10 A (5.79..9.94 A)