Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 57.60 68 0.0454 1.33 76 66.8 0.49 36 3.5943 19.77 2 57.71 74 0.0447 1.12 78 67.4 0.55 29 3.5068 19.95 3 57.71 64 0.0446 1.08 70 68.3 0.59 35 3.4814 19.79 4 58.40 72 0.0447 1.36 76 73.1 0.53 39 3.7601 20.07 5 59.11 70 0.0457 1.44 75 70.3 0.52 36 3.4529 19.74 6 59.14 70 0.0452 1.01 77 70.7 0.56 37 3.6782 21.36 7 60.55 74 0.0469 1.29 77 71.2 0.58 34 3.5155 19.47 8 60.89 68 0.0468 1.29 80 71.0 0.54 37 3.7187 21.13 9 61.32 75 0.0461 1.05 88 71.2 0.49 37 4.0165 21.08 10 62.40 72 0.0468 1.12 84 73.7 0.53 33 3.7256 22.14 11 63.50 67 0.0495 1.64 67 65.8 0.57 34 3.8944 21.24 12 64.35 74 0.0475 1.33 83 74.7 0.56 37 3.6147 19.88 13 65.05 96 0.0506 1.03 70 66.3 0.55 32 3.6194 20.42 14 65.32 78 0.0489 1.20 85 71.4 0.52 37 3.8711 21.36 15 65.39 74 0.0498 1.38 82 67.2 0.52 28 3.9400 19.77 16 65.71 72 0.0484 1.43 90 75.7 0.53 32 3.5503 19.90 17 66.17 82 0.0503 1.28 84 71.4 0.54 32 3.6215 20.84 18 66.43 78 0.0506 1.38 86 68.5 0.55 29 3.9569 22.29 19 66.73 82 0.0503 1.31 85 69.2 0.54 35 3.8287 21.42 20 66.96 86 0.0505 1.40 72 70.5 0.55 32 3.8785 19.63 Ave 62.52 75 0.0477 1.27 79 70.2 0.54 34 3.7113 20.56 +/- 3.33 7 0.0022 0.16 6 2.7 0.02 3 0.1696 0.86 Min 57.60 64 0.0446 1.01 67 65.8 0.49 28 3.4529 19.47 Max 66.96 96 0.0506 1.64 90 75.7 0.59 39 4.0165 22.29 Cut 0.30 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper HA3 GLY 39 - HG2 PRO 40 5.07 7 0.19 0.40 + + ++* + + peak 1502 Upper QB ALA 43 - HG LEU 68 3.84 15 0.41 0.72 +++ + +++ +++ +*+++ peak 1528 Upper QB ALA 43 - HD1 TRP 72 4.49 13 0.37 0.60 ++ *+++++ + ++++ peak 1651 Upper HA LEU 45 - QD PHE 47 4.24 20 0.64 0.80 +++++++++++*++++++++ peak 103 Upper H ARG 46 - QD2 LEU 68 4.30 19 0.51 0.73 +*+++++ ++++++++++++ peak 668 Upper QD PHE 47 - H ARG 70 5.50 12 0.35 0.67 ++ ++ + + ++*+++ peak 97 Upper H LEU 62 - HG LEU 65 5.50 6 0.16 0.46 + + ++ * + peak 2392 H GLN 64 - HG LEU 65 Upper H GLN 64 - QD1 LEU 68 5.50 13 0.33 0.55 ++ + +++ *++++ + + peak 2513 Upper QD1 LEU 65 - H GLU 67 5.50 16 0.40 0.54 +++ ++++ +*++++ + ++ peak 957 Upper H GLU 67 - QD2 LEU 68 4.55 20 1.01 1.29 ++++++*+++++++++++++ peak 956 Upper QB GLU 67 - QD2 LEU 68 4.06 19 0.85 1.29 +++ ++*+++++++++++++ peak 2463 Upper QD2 LEU 68 - HE3 TRP 72 4.11 20 0.95 1.36 +++*++++++++++++++++ peak 208 Upper HG3 ARG 70 - H ARG 74 5.50 11 0.33 0.65 +++++ + + + + *+ peak 2604 Upper H TRP 72 - QD2 LEU 73 5.24 9 0.22 0.53 + + +++ *+++ peak 1341 Upper HE3 TRP 72 - HG LEU 73 5.50 8 0.22 0.66 +++ * + + ++ peak 1934 HZ3 TRP 72 - HG LEU 73 Upper HE1 TRP 72 - HG LEU 87 5.50 10 0.28 0.47 + +++ + +*++ + peak 264 Upper HZ2 TRP 72 - HB3 LEU 73 4.09 16 0.76 1.43 + + ++++++++++*++ + peak 194 Upper HZ2 TRP 72 - QD1 LEU 86 5.50 17 0.39 0.60 ++++++++ +++++ ++*+ peak 3081 Upper HH2 TRP 72 - HA LEU 87 4.43 6 0.16 0.50 + + ++ *+ peak 120 Upper HB2 LEU 73 - H MET 83 5.50 14 0.65 1.31 +++ *+++++ + ++ ++ peak 1076 HB3 LEU 73 - H MET 83 Upper HB3 LEU 73 - HD3 PRO 75 5.08 12 0.48 1.02 + + ++++ + ++ + +* peak 2681 Upper QD2 LEU 73 - QB LEU 84 4.85 10 0.26 0.74 * + ++ +++ ++ + peak 2938 Upper QD2 LEU 73 - HA LEU 86 5.50 13 0.40 0.61 + +++*+++ + +++ + peak 1785 Upper QD2 LEU 73 - HG LEU 86 4.41 12 0.47 1.05 ++ +++ ++*++ ++ peak 3066 Upper H GLU 76 - QD1 LEU 84 5.50 20 0.63 0.95 ++++++*+++++++++++++ peak 1008 Upper HA LYS 80 - QE MET 83 3.00 7 0.26 0.63 ++* + + + + peak 1639 Upper H GLU 81 - QE MET 83 5.50 17 0.43 0.61 ++*+++++ ++++ +++ ++ peak 1649 Upper H GLY 94 - HG2 GLN 101 5.50 14 0.35 0.65 +++ ++ ++ + *++++ + peak 1174 Upper H LEU 96 - H GLN 101 5.50 6 0.27 0.34 *+ + + + + peak 468 Upper QD2 LEU 96 - HB2 GLN 101 5.50 7 0.27 1.03 + +*+ + + + peak 4060 Upper QD2 LEU 96 - HB3 GLN 101 5.50 17 0.57 1.00 +++++++++ + +*+ ++++ peak 3515 Upper H ILE 100 - QD2 LEU 122 4.06 12 0.35 0.70 + +++ + + *+ ++++ peak 3078 Upper HG12 ILE 100 - QG1 VAL 119 3.90 11 0.29 0.38 ++ +*++ ++ + ++ peak 3953 Upper H GLN 101 - HE22 GLN 101 5.50 20 0.55 0.68 ++++++++++++++++++*+ peak 482 Upper HA ALA 116 - HB VAL 119 3.56 8 0.33 0.85 + +++ + ++ * peak 3960 Upper HA3 GLY 339 - HG2 PRO 340 5.07 7 0.14 0.44 ++ + + + +* peak 1502 Upper QB ALA 343 - HG LEU 368 3.84 19 0.42 0.73 ++ ++++++++++++++++* peak 1528 Upper QB ALA 343 - HD1 TRP 372 4.49 9 0.33 0.50 + + ++ + + +* + peak 1651 Upper HA LEU 345 - QD PHE 347 4.24 20 0.62 0.83 +++++++++++++++++++* peak 103 Upper H ARG 346 - QD2 LEU 368 4.30 18 0.50 0.69 +++++++++*++++ + +++ peak 668 Upper QD PHE 347 - H ARG 370 5.50 11 0.35 0.58 + * +++ +++ ++ + peak 97 Upper H TYR 352 - HG LEU 396 5.50 9 0.38 0.76 +* +++ ++ ++ peak 793 Upper H GLN 359 - HG LEU 362 4.91 9 0.50 1.01 +++* + ++ + + peak 839 Upper HG2 GLN 359 - QD1 LEU 362 5.43 6 0.16 0.39 * + + ++ + peak 2208 Upper H LEU 362 - HG LEU 362 3.15 9 0.34 0.82 +*++ + ++ + + peak 884 Upper H LEU 362 - HG LEU 365 5.50 9 0.20 0.40 + + *+ +++ + + peak 2392 H GLN 364 - HG LEU 365 Upper QD1 LEU 362 - HG2 PRO 412 5.50 8 0.18 0.46 +++* + ++ + peak 3750 Upper QD1 LEU 362 - H ALA 415 5.09 6 0.13 0.37 ++++ + * peak 1288 Upper QD2 LEU 362 - H LEU 393 5.00 9 0.32 0.56 ++++ + ++ * + peak 1173 Upper H GLN 364 - QD1 LEU 368 5.50 9 0.30 0.50 +++ ++ +*++ peak 2513 Upper QD1 LEU 365 - H GLU 367 5.50 15 0.35 0.52 + +++ ++* ++++++ ++ peak 957 Upper QD2 LEU 365 - H GLN 391 5.50 7 0.19 0.42 + +* +++ + peak 1153 Upper H GLU 367 - QD2 LEU 368 4.55 20 1.03 1.29 +++++++++++++++++++* peak 956 Upper QB GLU 367 - QD2 LEU 368 4.06 20 0.92 1.64 ++++++++++*+++++++++ peak 2463 Upper QD2 LEU 368 - HE3 TRP 372 4.11 19 0.88 1.38 ++++++++++ ++++++*++ peak 208 Upper HG3 ARG 370 - H ARG 374 5.50 11 0.32 0.54 + *+ ++ +++ ++ + peak 2604 Upper H TRP 372 - QD2 LEU 373 5.24 7 0.18 0.45 + + + + *++ peak 1341 Upper HE1 TRP 372 - HG LEU 387 5.50 9 0.30 0.44 ++++++ + + * peak 264 Upper HZ2 TRP 372 - HB3 LEU 373 4.09 17 0.83 1.44 ++++*+ ++++ + ++++++ peak 194 Upper HZ2 TRP 372 - QD1 LEU 386 5.50 15 0.36 0.63 ++++ ++ +++++ +*++ peak 3081 Upper HA LEU 373 - QD2 LEU 373 3.66 6 0.15 0.46 ++ + + * + peak 238 Upper HB2 LEU 373 - H MET 383 5.50 13 0.57 1.28 + ++++* ++ +++ ++ peak 1076 HB3 LEU 373 - H MET 383 Upper HB3 LEU 373 - HD3 PRO 375 5.08 15 0.47 1.02 ++++ +++++* + ++ ++ peak 2681 Upper QD2 LEU 373 - QB LEU 384 4.85 6 0.20 0.69 ++ + * ++ peak 2938 Upper QD2 LEU 373 - HA LEU 386 5.50 11 0.34 0.58 ++*+ ++ +++++ peak 1785 Upper QD2 LEU 373 - HG LEU 386 4.41 14 0.64 1.15 +++ + ++++++* +++ peak 3066 Upper QD2 LEU 373 - QD1 LEU 386 2.98 9 0.27 0.53 ++*+ ++ ++ + peak 3068 Upper H ARG 374 - HD2 PRO 375 4.10 6 0.15 0.54 ++ + + + * peak 2706 Upper H GLU 376 - QD1 LEU 384 5.50 20 0.69 1.04 ++++++++++*+++++++++ peak 1008 Upper HA LYS 380 - QE MET 383 3.00 7 0.26 0.61 ++ + *++ + peak 1639 Upper H GLU 381 - QE MET 383 5.50 19 0.45 0.61 +++++++ +++++*++++++ peak 1649 Upper HG3 GLU 381 - QD1 LEU 384 5.34 7 0.23 0.58 + ++ *+ ++ peak 3028 Upper H GLY 394 - HG2 GLN 401 5.50 9 0.28 0.47 + + ++ ++ * ++ peak 1174 Upper H LEU 396 - HG LEU 396 3.38 7 0.31 0.91 + *++ + ++ peak 1185 Upper QD2 LEU 396 - H ILE 400 5.50 7 0.13 0.41 + +++ * ++ peak 284 Upper QD2 LEU 396 - HB2 GLN 401 5.50 10 0.39 1.03 + + + ++++ + +* peak 4060 Upper QD2 LEU 396 - HB3 GLN 401 5.50 17 0.54 1.00 + + +++++*+ ++++++++ peak 3515 Upper HG12 ILE 400 - QG1 VAL 419 3.90 13 0.32 0.43 +++ +*+ + +++++ + peak 3953 Upper H GLN 401 - HE22 GLN 401 5.50 20 0.58 0.67 +++++*++++++++++++++ peak 482 Upper HA ALA 416 - HB VAL 419 3.56 10 0.41 0.84 ++ ++ *++ + + + peak 3960 VdW C ASP 37 - H GLY 39 2.45 6 0.11 0.35 + *++ + + VdW HA3 GLY 39 - CD PRO 40 2.60 11 0.15 0.29 + + ++*+ ++ + ++ VdW HG3 ARG 44 - N LEU 45 2.45 10 0.14 0.28 +++ ++* ++ + + VdW HB2 PHE 47 - HB3 LEU 68 2.00 16 0.24 0.34 +++*+++ + ++++++ ++ VdW CE2 PHE 47 - SG CYS 69 3.40 10 0.24 0.56 *+++ + + + ++ + VdW CG HIS 51 - C HIS 51 2.90 20 0.24 0.25 +++++++++*++++++++++ VdW CA LEU 65 - CD1 LEU 65 3.00 9 0.12 0.27 ++ ++ ++ *++ VdW O LEU 65 - SG CYS 69 3.10 6 0.12 0.49 + + + * + + VdW CG GLU 67 - C GLU 67 2.90 9 0.18 0.24 + + ++ + + *++ VdW CA LEU 68 - CD1 LEU 68 3.00 11 0.14 0.26 +++ ++ ++ *++ + VdW HA LEU 68 - CD1 LEU 68 2.60 12 0.26 0.47 ++++++ ++ *++ + VdW O CYS 69 - N LEU 73 2.75 9 0.21 0.50 + + ++ ++ ++* VdW CG TRP 72 - C TRP 72 2.90 20 0.24 0.25 ++++++++++++++*+++++ VdW CG TRP 72 - N LEU 73 3.05 13 0.27 0.39 + + + ++++++*+++ VdW CD1 TRP 72 - C TRP 72 3.10 18 0.43 0.53 ++++++++++++ ++*+++ VdW CD1 TRP 72 - N LEU 73 3.05 6 0.14 0.35 + + + *++ VdW HD1 TRP 72 - C TRP 72 2.50 7 0.15 0.27 +++ + * + + VdW CZ3 TRP 72 - HG LEU 87 2.60 18 0.37 0.48 + ++++++++++++*++++ VdW CH2 TRP 72 - HG LEU 87 2.60 16 0.35 0.55 +++++ + +++++++*++ VdW HA ARG 74 - CD PRO 75 2.60 20 0.26 0.31 ++++++++++++++++++*+ VdW C ARG 74 - H GLU 76 2.45 6 0.15 0.36 * + + + + + VdW HA PRO 75 - CE MET 83 2.60 13 0.26 0.48 +++ ++ +++ + ++ *+ VdW O LYS 80 - HB2 LEU 84 2.30 17 0.30 0.51 +++ ++++++++++ ++*+ VdW CB MET 83 - CE MET 83 3.00 10 0.16 0.23 +++ ++ +++ + * VdW O MET 83 - HB2 LEU 86 2.30 9 0.25 0.59 +* + ++++ + + VdW N LEU 87 - CD1 LEU 87 3.05 20 0.34 0.44 +++++++++++++*++++++ VdW N LEU 87 - CD2 LEU 87 3.05 14 0.22 0.27 ++ ++*++ +++ ++ + + VdW H LEU 87 - CD2 LEU 87 2.55 20 0.48 0.55 +++++*++++++++++++++ VdW O LEU 87 - N GLN 91 2.75 9 0.18 0.25 ++ *+ + ++++ VdW CA LEU 89 - CD2 LEU 89 3.00 10 0.12 0.26 ++ ++ + +++*+ VdW HA LEU 93 - CD1 LEU 93 2.60 8 0.12 0.29 + + ++ + * + + VdW O LEU 93 - HB2 LEU 96 2.30 6 0.18 0.23 * + + + + + VdW N ILE 100 - HG12 ILE 100 2.45 17 0.23 0.29 +++++++++ *+ ++++ ++ VdW CG2 ILE 100 - CD1 ILE 100 3.00 20 0.28 0.31 +++++++*++++++++++++ VdW H LEU 118 - CG LEU 118 2.55 14 0.22 0.27 ++ ++++++ ++*+ ++ VdW CG1 VAL 119 - C VAL 119 2.90 6 0.12 0.22 ++ + *+ + VdW C ASP 337 - H GLY 339 2.45 7 0.12 0.35 ++ + + + +* VdW HA3 GLY 339 - CD PRO 340 2.60 8 0.11 0.30 ++ + + + + +* VdW HG3 ARG 344 - N LEU 345 2.45 12 0.17 0.33 + + + + +++++*++ VdW HB2 PHE 347 - HB3 LEU 368 2.00 12 0.20 0.32 +++ ++++ ++ *+ + VdW CZ PHE 347 - HB2 LEU 387 2.60 11 0.20 0.35 ++ ++ *+ + ++ ++ VdW CE2 PHE 347 - SG CYS 369 3.40 6 0.14 0.56 + * + + + + VdW CG HIS 351 - C HIS 351 2.90 20 0.23 0.25 *+++++++++++++++++++ VdW CD1 LEU 362 - HB2 PRO 412 2.60 8 0.15 0.41 +*++ + ++ + VdW CA LEU 365 - CD1 LEU 365 3.00 12 0.15 0.26 ++ + +++ * +++ + + VdW HA LEU 365 - CD1 LEU 365 2.60 9 0.15 0.34 +* ++ + ++ + + VdW CG GLU 367 - C GLU 367 2.90 11 0.19 0.24 ++ +* +++++++ VdW CA LEU 368 - CD1 LEU 368 3.00 14 0.17 0.26 +++++++ *+ +++ + + VdW HA LEU 368 - CD1 LEU 368 2.60 14 0.31 0.48 +++++++ ++ +*+ + + VdW O CYS 369 - CD1 LEU 373 2.90 6 0.13 0.32 ++ * + + + VdW CG TRP 372 - C TRP 372 2.90 19 0.24 0.25 +++++++++*+++++++++ VdW CG TRP 372 - N LEU 373 3.05 16 0.26 0.36 ++ ++++++++* ++ +++ VdW CD1 TRP 372 - C TRP 372 3.10 19 0.46 0.54 ++++++++++++ +++*+++ VdW CD1 TRP 372 - N LEU 373 3.05 7 0.15 0.32 + * + + +++ VdW HD1 TRP 372 - C TRP 372 2.50 9 0.16 0.31 ++++ + + *+ + VdW CZ3 TRP 372 - HG LEU 387 2.60 19 0.37 0.51 *++++++++++++++++++ VdW CH2 TRP 372 - HG LEU 387 2.60 16 0.32 0.53 +++ +++++++++ ++ *+ VdW O LEU 373 - C ARG 374 2.80 6 0.13 0.44 +* + + + + VdW HA ARG 374 - CD PRO 375 2.60 19 0.25 0.31 +++ +++++++*++++++++ VdW HA PRO 375 - CE MET 383 2.60 14 0.26 0.49 + +++++ +++++* ++ VdW O LYS 380 - N LEU 384 2.75 6 0.15 0.32 + ++ + +* VdW O LYS 380 - HB2 LEU 384 2.30 12 0.22 0.52 + + +++ + *++++ + VdW CB MET 383 - CE MET 383 3.00 9 0.15 0.24 + ++ + * + + ++ VdW O MET 383 - HB2 LEU 386 2.30 16 0.33 0.55 +* +++ +++++++++++ VdW N LEU 384 - CD2 LEU 384 3.05 6 0.11 0.26 + +++ * + VdW CA LEU 384 - CD2 LEU 384 3.00 7 0.11 0.26 + +* + + ++ VdW N LEU 387 - CD1 LEU 387 3.05 20 0.36 0.47 +++++++++++++++++++* VdW N LEU 387 - CD2 LEU 387 3.05 13 0.20 0.26 + *++++++ + ++++ VdW H LEU 387 - CD2 LEU 387 2.55 20 0.46 0.54 ++*+++++++++++++++++ VdW O LEU 387 - N GLN 391 2.75 8 0.19 0.26 + + +++*++ VdW CA LEU 389 - CD2 LEU 389 3.00 13 0.15 0.26 + +++++ ++ + + ++* VdW HA LEU 389 - CD2 LEU 389 2.60 8 0.14 0.25 *++++ + ++ VdW CB LEU 396 - HG2 GLN 401 2.60 7 0.16 0.28 + +++ * ++ VdW HB2 PRO 397 - HD2 PRO 398 2.00 7 0.19 0.26 + +++ + +* VdW HG2 PRO 397 - CG1 ILE 400 2.60 6 0.18 0.22 + ++ * + + VdW O PRO 397 - HB2 GLN 401 2.30 7 0.18 0.38 + +++ * ++ VdW N ILE 400 - HG12 ILE 400 2.45 18 0.25 0.30 ++++ ++++*++++ +++++ VdW CG2 ILE 400 - CD1 ILE 400 3.00 20 0.29 0.32 +++++++++*++++++++++ VdW HA GLN 405 - CD GLN 405 2.50 6 0.14 0.25 + *++ + + VdW HB2 PRO 409 - HB2 GLU 414 2.00 7 0.18 0.24 * ++ + ++ + VdW H LEU 418 - CG LEU 418 2.55 16 0.22 0.26 +++ +++++*+++ +++ + Angle PHI GLU 67 -79.00 -59.00 15 6.53 15.74 +++ +++++*++++ + + Angle PSI CYS 69 -50.00 -30.00 9 4.24 10.43 +*+ + + ++ + + Angle PSI GLN 71 -47.00 -17.00 11 4.57 8.58 * ++++++ + + + + Angle PHI GLU 76 -78.00 -58.00 15 6.51 9.51 +++++ ++++++*+++ Angle PSI VAL 77 -29.00 -5.00 7 4.79 8.93 * + ++ + + + Angle PSI SER 79 155.00 175.00 11 5.31 8.75 + + +++* ++ + ++ Angle PSI LYS 80 -48.00 -28.00 7 4.63 20.86 +++ * + ++ Angle PSI GLU 81 -50.00 -30.00 17 7.51 12.09 *+++++ ++ +++++ ++++ Angle PHI MET 83 -75.00 -55.00 16 7.89 16.49 +++++ ++* +++ ++ +++ Angle PHI LEU 84 -73.00 -53.00 7 4.04 6.65 + + + + +* + Angle PHI GLU 85 -75.00 -55.00 7 3.71 8.18 + ++ ++ +* Angle PSI GLU 85 -54.00 -34.00 10 5.48 18.80 + ++++ + +* + + Angle PHI LEU 87 -77.00 -57.00 20 12.63 18.24 ++++++++++++++*+++++ Angle PHI VAL 88 -78.00 -58.00 20 11.88 17.36 ++++++++++++++*+++++ Angle PSI GLN 91 -46.00 -26.00 13 5.72 8.29 + ++++++++* +++ Angle PSI PRO 97 132.20 154.90 20 19.96 21.42 ++++++++++++++++++*+ Angle PSI PRO 98 -46.00 -28.00 20 10.26 15.00 ++++++++++++++++++*+ Angle PHI GLU 99 -76.00 -56.00 20 6.82 10.84 ++++++++++++++++++*+ Angle PHI GLN 101 -71.00 -51.00 19 6.84 8.11 ++++++++++++ *++++++ Angle PSI GLN 105 -52.00 -30.00 6 3.66 8.49 + + * ++ + Angle PSI PRO 358 -41.00 -31.00 10 3.68 8.62 +++++ + ++ * + Angle PHI GLN 359 -77.00 -57.00 8 3.85 8.75 ++++ + +* + Angle PHI GLU 367 -79.00 -59.00 13 6.54 15.73 ++++++ ++ + + + +* Angle PSI CYS 369 -50.00 -30.00 7 3.77 9.09 ++++ + +* Angle PSI GLN 371 -47.00 -17.00 9 4.29 9.08 +*++ + + + ++ Angle PHI GLU 376 -78.00 -58.00 18 6.74 11.91 ++++++++++ +++++ ++* Angle PSI VAL 377 -29.00 -5.00 6 4.73 8.56 ++ + + + * Angle PSI SER 379 155.00 175.00 11 5.21 9.46 ++++ ++ +* + + + Angle PSI LYS 380 -48.00 -28.00 13 5.80 12.71 ++ +++ *++ + ++ ++ Angle PSI GLU 381 -50.00 -30.00 14 6.62 10.39 +++++++ ++ *+++ + Angle PHI MET 383 -75.00 -55.00 17 8.05 13.10 ++++++++++ *++++++ Angle PHI LEU 384 -73.00 -53.00 7 3.88 6.24 + + +* + + + Angle PHI LEU 387 -77.00 -57.00 20 13.78 19.28 +++++++++++++++++++* Angle PHI VAL 388 -78.00 -58.00 20 12.11 16.89 +++++++++++++++++*++ Angle PSI GLN 391 -46.00 -26.00 17 6.80 11.60 ++++++++++ ++++ +* + Angle PSI PRO 397 132.20 154.90 20 20.30 22.29 +++++++++++++++++*++ Angle PSI PRO 398 -46.00 -28.00 20 11.35 15.25 +++++++++*++++++++++ Angle PHI GLU 399 -76.00 -56.00 20 7.90 11.60 ++++++++++*+++++++++ Angle PHI GLN 401 -71.00 -51.00 20 7.24 9.44 +++++*++++++++++++++ Angle PSI ALA 416 -50.00 -30.00 7 3.09 6.31 ++ + ++ * + 80 violated distance constraints. 81 violated van der Waals constraints. 40 violated angle constraints. RMSDs for residues 40..122: Average backbone RMSD to mean : 0.33 +/- 0.07 A (0.23..0.50 A) Average heavy atom RMSD to mean : 0.81 +/- 0.08 A (0.69..1.06 A)